Composite Score

Weighted average of available metrics, normalised to [0, 1]. Only metrics present for a design contribute; weights are re-normalised accordingly.

MetricWeightTransform
Design ipTM0.25raw (0–1)
Min iPAE0.251 − PAE/10 (lower better)
Xval ipTM (Boltz-2)0.20raw (0–1)
Refold RMSD0.151 − RMSD/5 (lower better)
Design pTM0.10raw (0–1)
Xval pLDDT (Boltz-2)0.10pLDDT/100 (0–1)
Design RMSD0.051 − RMSD/5 (lower better)

Weights sum to 1.10 when all metrics are available. The score is normalised by the sum of weights of metrics actually present for each design.

orange = partial score (no Boltz-2 cross-validation). Not directly comparable to fully evaluated designs.

Molecular Agentic Rationality Portal (PGDH module)

Protein binder design campaign — Target: 2GDZ (15-hydroxyprostaglandin dehydrogenase)

“There is no such thing as either man or nature now, only a process that produces the one within the other and couples the machines together.”
— Gilles Deleuze & Félix Guattari, Anti-Oedipus

123
Total Designs
78
Evaluated
45
Unevaluated
67
BoltzGen
56
RFdiffusion3
Evaluated78
Unevaluated45
All123
Table123
Progress
Strategies
Target (2GDZ)
Workflow
“The boundary between science fiction and social reality is an optical illusion.”— Donna Haraway, A Cyborg Manifesto

boltzgen_r1_s3_config_6

#1 Score: 0.779 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.79234
pTM0.86407
Design RMSD0.50987 Å
Min PAE2.09829
Validation (Boltz-2)
Val. ipTM0.970676064491272
Val. pLDDT0.965877890586853
Designability
BoltzGen RMSD0.50987 Å
Min iPAE2.09829
H-bonds4.0
ΔSASA1535.18848 Ų
Secondary Structure
Helix 52%Sheet 16%Loop 32%
Sequence (103 AA)
AVVVNAASVIDEENWEETVKVNLLGTIKGALAALKAMGKKNGGKGGVIINIASIAGVQPHPEHPVYSASKFAVVGFAASLQEFCKLANSGVTVVVVLPPLELA

boltzgen_r1_s2_config_6

#2 Score: 0.777 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.78313
pTM0.86163
Design RMSD0.49092 Å
Min PAE2.09601
Validation (Boltz-2)
Val. ipTM0.9680948257446289
Val. pLDDT0.9636459350585938
Designability
BoltzGen RMSD0.49092 Å
Min iPAE2.09601
H-bonds4.0
ΔSASA1536.37305 Ų
Secondary Structure
Helix 50%Sheet 15%Loop 35%
Sequence (102 AA)
VVVNAAGIEDEENWEETIRINLLGTIKGARLALKLMSKKNGGKGGVVINISSLAGVQPDPTRPVYSASKAGVVGFSESLNLACKLDNSGVVVLSVLPGKVPM

boltzgen_r3_s2_strategy2_dimer_interface_09

#3 Score: 0.769 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.77145
pTM0.84873
Design RMSD0.47666 Å
Min PAE2.29825
Validation (Boltz-2)
Val. ipTM0.9691088795661926
Val. pLDDT0.9646424055099487
Designability
BoltzGen RMSD0.47666 Å
Min iPAE2.29825
H-bonds7.0
ΔSASA1475.96289 Ų
Secondary Structure
Helix 50%Sheet 16%Loop 34%
Sequence (101 AA)
AVVVNNAGIVDEENWEETIKVNLLNTIKGTEAALKLLSKENGGSGVVINISSLAGVQPDPTHPVYTATKFGVVGFAASMNEAAKLAKSGVKIGVVLPGPVP

boltzgen_r2_s2_config_r2_s2_0

#4 Score: 0.764 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.77746
pTM0.86539
Design RMSD0.78069 Å
Min PAE2.1416
Validation (Boltz-2)
Val. ipTM0.9661463499069214
Val. pLDDT0.9662173986434937
Designability
BoltzGen RMSD0.78069 Å
Min iPAE2.1416
H-bonds6.0
ΔSASA1525.32422 Ų
Secondary Structure
Helix 50%Sheet 17%Loop 33%
Sequence (102 AA)
MIVVVNNAGIIDEENWEKTIKVNLESTIKGTRAAFELCKKTGLPGVAINISSIAGVQPDPRHPVYTASKFGVVGFTASMNEAAKLANTGLEVVTVEPGPIDL

boltzgen_r2_s2_config_r2_s2_3

#5 Score: 0.760 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.71897
pTM0.80805
Design RMSD1.05114 Å
Min PAE2.41404
Designability
BoltzGen RMSD1.05114 Å
Min iPAE2.41404
H-bonds4.0
ΔSASA1664.61621 Ų
Secondary Structure
Helix 57%Sheet 13%Loop 30%
Sequence (94 AA)
LESLEEARRIVDVLLREQIRAAEEAIKKLSKANGGSGTVVLLSSLAGVQPNPLRPAYTASKFAVVGFAASLNEFCKLKNTGVTVTAVFPGEVPV

boltzgen_r2_s2_config_r2_s2_7

#6 Score: 0.755 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.74616
pTM0.82794
Design RMSD0.60465 Å
Min PAE2.38183
Validation (Boltz-2)
Val. ipTM0.9706094861030579
Val. pLDDT0.9655552506446838
Designability
BoltzGen RMSD0.60465 Å
Min iPAE2.38183
H-bonds2.0
ΔSASA1761.77246 Ų
Secondary Structure
Helix 60%Sheet 13%Loop 26%
Sequence (91 AA)
FDVDEANATVRELLLGQIKAARAALKKLSKKYGGKGGTVVLLSSLAGVGQPDPLEPAYTAAKAAVEGFARSLNLRCKLDDSGVEVLVVHPA

boltzgen_r3_s2_strategy2_dimer_interface_07

#7 Score: 0.754 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.75313
pTM0.83627
Design RMSD0.68022 Å
Min PAE2.44258
Validation (Boltz-2)
Val. ipTM0.9740952253341675
Val. pLDDT0.9717646241188049
Designability
BoltzGen RMSD0.68022 Å
Min iPAE2.44258
H-bonds5.0
ΔSASA1626.54297 Ų
Secondary Structure
Helix 60%Sheet 13%Loop 27%
Sequence (90 AA)
ETLEEALAVIDVGLRAAIKAAEAAIKLLSKKNGGSGVVVLLSSLAGVEPDPLRPAYTASKFGVVGFAASLNEFCKLADTGVTVAVVLPGP

boltzgen_r2_s2_config_r2_s2_8

#8 Score: 0.753 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.76339
pTM0.86097
Design RMSD0.90623 Å
Min PAE2.2324
Validation (Boltz-2)
Val. ipTM0.9642593264579773
Val. pLDDT0.9563659429550171
Designability
BoltzGen RMSD0.90623 Å
Min iPAE2.2324
H-bonds10.0
ΔSASA1554.61133 Ų
Secondary Structure
Helix 49%Sheet 18%Loop 33%
Sequence (105 AA)
MAVVVNAAGIRDEENWRKTIEVNLLGTIKGSLAALKLMSKKNGGIGGIIINASSLAGLQPDPRHPVYSASKFGVVGFTESLNEACKLDDSGVEVLSVEPPLADVY

boltzgen_r2_s2_config_r2_s2_2

#9 Score: 0.744 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.75869
pTM0.84812
Design RMSD1.14845 Å
Min PAE2.10481
Validation (Boltz-2)
Val. ipTM0.9561805129051208
Val. pLDDT0.9588843584060669
Designability
BoltzGen RMSD1.14845 Å
Min iPAE2.10481
H-bonds7.0
ΔSASA1499.16016 Ų
Secondary Structure
Helix 48%Sheet 15%Loop 37%
Sequence (108 AA)
MTVDLLVNNAGVVDEENWEKTIEVNLLGTIRGSLLGLELMSKKRGGRGGVIINISSLAGVQPDPTHPVYTASKFAVVGFTASLQEACKLADSGVEVLTVEPGPVDVDF

boltzgen_r2_s2_config_r2_s2_5

#10 Score: 0.740 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.67024
pTM0.75944
Design RMSD1.01878 Å
Min PAE2.44411
Designability
BoltzGen RMSD1.01878 Å
Min iPAE2.44411
H-bonds8.0
ΔSASA1508.75 Ų
Secondary Structure
Helix 57%Sheet 12%Loop 30%
Sequence (115 AA)
SPIETIETLALGGAKEARDALEAGKPRLAVGSSIAGVQPDPTRPAYSAAKAANVGFARSAALAAELAGTGTRIVAVAPGEIDADTAKEKRDAATKIGEEALAAHPDAPAGAVLLV

boltzgen_r3_s2_strategy2_dimer_interface_13

#11 Score: 0.736 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.74737
pTM0.84915
Design RMSD1.17122 Å
Min PAE2.25245
Validation (Boltz-2)
Val. ipTM0.9478304982185364
Val. pLDDT0.9579287767410278
Designability
BoltzGen RMSD1.17122 Å
Min iPAE2.25245
H-bonds3.0
ΔSASA1458.125 Ų
Secondary Structure
Helix 50%Sheet 15%Loop 35%
Sequence (109 AA)
LDRLDLLVNAANVVDEENWEETIKVNALGTAKGAFLGLYLMGRKYGGRGGVIVNISSIAGLQPDPTRPVYSASKFAVVGFAESLNLQAELDGSGVTVVSVLPGRTAISG

boltzgen_r3_s2_strategy2_dimer_interface_06

#12 Score: 0.735 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.76032
pTM0.84999
Design RMSD1.38035 Å
Min PAE2.09984
Validation (Boltz-2)
Val. ipTM0.9525102376937866
Val. pLDDT0.9603682160377502
Designability
BoltzGen RMSD1.38035 Å
Min iPAE2.09984
H-bonds7.0
ΔSASA1494.74609 Ų
Secondary Structure
Helix 49%Sheet 17%Loop 35%
Sequence (107 AA)
EVKVLVNNAGVLDEENWEKTIEVNLKGTIKGTELALKLMSKKNGGKGGVVINVSSLAGLQPDPLHPVYTASKFAVVGFTESMQLACKLEDSGVEVKSVHPGFVELPR

boltzgen_r3_s2_strategy2_dimer_interface_17

#13 Score: 0.733 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.7004
pTM0.80945
Design RMSD0.72934 Å
Min PAE2.4437
Validation (Boltz-2)
Val. ipTM0.9451389312744141
Val. pLDDT0.9589927792549133
Designability
BoltzGen RMSD0.72934 Å
Min iPAE2.4437
H-bonds7.0
ΔSASA1441.55176 Ų
Secondary Structure
Helix 54%Sheet 14%Loop 32%
Sequence (111 AA)
SVAEEFLRKYKPKVVINAAGVIDNENWLETIEINLLETIRASLEAVRLLSNANGGSGVVINISSLAGLQPDPEHPVYSASKFAVVGFAESLNLACKLANSGVTVLSVLPGP

boltzgen_r2_s2_config_r2_s2_6

#14 Score: 0.732 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.7132
pTM0.80333
Design RMSD0.9359 Å
Min PAE2.42761
Validation (Boltz-2)
Val. ipTM0.9696938991546631
Val. pLDDT0.9619081020355225
Designability
BoltzGen RMSD0.9359 Å
Min iPAE2.42761
H-bonds7.0
ΔSASA1781.74414 Ų
Secondary Structure
Helix 58%Sheet 13%Loop 29%
Sequence (93 AA)
ALPSIEEAREIARKLLLGTIKAAKEALKVLSKKYGGKGGVVVVLASIAGVQPDPTRPAYSAAKAALVGFAESLNLACKLLDSGVTVAVVLPGP

boltzgen_r1_s2_config_1

#15 Score: 0.719 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.72014
pTM0.85172
Design RMSD1.59838 Å
Min PAE2.13505
Validation (Boltz-2)
Val. ipTM0.9602777361869812
Val. pLDDT0.967853307723999
Designability
BoltzGen RMSD1.59838 Å
Min iPAE2.13505
H-bonds10.0
ΔSASA2035.77539 Ų
Secondary Structure
Helix 45%Sheet 19%Loop 35%
Sequence (139 AA)
AAIVVAAGVVDEEDWERTIEVNLRAAIKAAELAYERKIDCVVISSVAALLDPTHPVYTASKAAVVGFARSMARASELAGGGRINVVIPGKVTPETLPLIVQAVVELITDPSLNGAVLKVTKKKGIYYIDFGDLDIPGFS

boltzgen_r1_s1_config_1

#16 Score: 0.718 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.71672
pTM0.8078
Design RMSD1.29583 Å
Min PAE2.31749
Validation (Boltz-2)
Val. ipTM0.941166341304779
Val. pLDDT0.9413262009620667
Designability
BoltzGen RMSD1.29583 Å
Min iPAE2.31749
H-bonds9.0
ΔSASA1564.42578 Ų
Secondary Structure
Helix 57%Sheet 12%Loop 31%
Sequence (100 AA)
KLGLELSEEGVRRTIREELLAPIKAAEAALKELSKANGGSGVFVNISSIAGLQPDPLRPVYTATKFGVVGFTASLQELCKLKNSGVEVVSVFPPLQDVDL

boltzgen_r1_s3_config_2

#17 Score: 0.717 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.70269
pTM0.83297
Design RMSD1.33322 Å
Min PAE2.36226
Validation (Boltz-2)
Val. ipTM0.9574998617172241
Val. pLDDT0.9395008087158203
Designability
BoltzGen RMSD1.33322 Å
Min iPAE2.36226
H-bonds12.0
ΔSASA2399.20703 Ų
Secondary Structure
Helix 45%Sheet 31%Loop 24%
Sequence (131 AA)
LPALGSLGLRKVTITATGLSAEQAEELARFAKYIAEQLNKFAKEYFGGEVTAEVLELADDGVTIEVSGDEKAGVALAAAAAAVVGYAMSLAALGALRAGKPYATVTVTVEGTYGTGTKTFKVPPRGFAGNG

boltzgen_r1_s1_config_2

#18 Score: 0.716 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.6782
pTM0.80102
Design RMSD0.79987 Å
Min PAE2.89307
Validation (Boltz-2)
Val. ipTM0.9582513570785522
Val. pLDDT0.9636729955673218
Designability
BoltzGen RMSD0.79987 Å
Min iPAE2.89307
H-bonds2.0
ΔSASA2152.13867 Ų
Secondary Structure
Helix 79%Sheet 0%Loop 21%
Sequence (91 AA)
LAPVAAAAALVLEGARIAVEGIKNGKALEAAEELERLADAVAGKFPGVAFALRGMAEAARAAALVQEGKAEEAFAIERERAEELGADIGPT

boltzgen_r1_s3_config_4

#19 Score: 0.707 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.6817
pTM0.80517
Design RMSD1.44296 Å
Min PAE2.32245
Validation (Boltz-2)
Val. ipTM0.9562031030654907
Val. pLDDT0.9405336976051331
Designability
BoltzGen RMSD1.44296 Å
Min iPAE2.32245
H-bonds10.0
ΔSASA2097.07715 Ų
Secondary Structure
Helix 39%Sheet 31%Loop 30%
Sequence (128 AA)
ATVKIVCKGPNGEVEKVVEGEGDSFDLESARKLIEELLREAIKGLEEAIEKTKATEIHVTLPEPVDPTRPAVSAAASAVVGYARSLAQQAARRYGIPSVKVTITYVGPDGRTGTREEELGDKSIGALT

boltzgen_r1_s2_config_7

#20 Score: 0.707 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.73546
pTM0.83503
Design RMSD1.81117 Å
Min PAE2.27991
Validation (Boltz-2)
Val. ipTM0.9418842196464539
Val. pLDDT0.9499676823616028
Designability
BoltzGen RMSD1.81117 Å
Min iPAE2.27991
H-bonds5.0
ΔSASA1572.56934 Ų
Secondary Structure
Helix 46%Sheet 14%Loop 40%
Sequence (111 AA)
LEGDRLDLAVNAAGVVDEEDWEKTIEINLRGTIKGAFAALEAMGRRNGGRGGVVINMSSLAGVQPDPTRPVYSAAKHGVVGFAESLNLAAKLADSGVTVVTVRPGPGGIAE

boltzgen_r0_s1_config_1

#21 Score: 0.697 ? boltzgen Active Site R0
Hydrophobic Polar Positive Negative Gly
ipTM0.69456
pTM0.80343
Design RMSD1.95542 Å
Min PAE2.7304
Designability
BoltzGen RMSD1.95542 Å
Min iPAE2.7304
H-bonds10.0
ΔSASA2106.29199 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (96 AA)
SEIEAAQDLVLSIVKEAYALASSTTEEGLRRARELLEEVRTLAETPVPEAPALTAGAAGALGVILSTFRALALKGNELAKKLVEELNIPESVGAGV

boltzgen_r3_s2_strategy2_dimer_interface_11

#22 Score: 0.693 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.61968
pTM0.72394
Design RMSD0.76786 Å
Min PAE2.76493
Validation (Boltz-2)
Val. ipTM0.9217520356178284
Val. pLDDT0.9205045104026794
Designability
BoltzGen RMSD0.76786 Å
Min iPAE2.76493
H-bonds9.0
ΔSASA1542.88379 Ų
Secondary Structure
Helix 58%Sheet 13%Loop 29%
Sequence (93 AA)
SPVIEALALGAAKAARAGLEAGKGTVVLPASLAGLQPDPTAPVYSAAKAAVVGLAASMNLAAKLAGSGVTVAVVAPGRVDTPLERLGETERPR

boltzgen_r1_s3_config_3

#23 Score: 0.693 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.69238
pTM0.80063
Design RMSD1.8426 Å
Min PAE2.37894
Validation (Boltz-2)
Val. ipTM0.9551690220832825
Val. pLDDT0.9546285271644592
Designability
BoltzGen RMSD1.8426 Å
Min iPAE2.37894
H-bonds6.0
ΔSASA2133.7627 Ų
Secondary Structure
Helix 44%Sheet 24%Loop 32%
Sequence (122 AA)
PERLVVVCGAGVVDEEDWEKTIEVNLLGAAKLARAGLELAKKLGAKELTLVAAGSTAALGQPDPTHPVYAATKAAVAGFTRSMARAAELKYGIKARAYLLVVTPEHGATLVDLNAPSFPSFI

boltzgen_r1_s1_config_8

#24 Score: 0.681 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.66117
pTM0.75415
Design RMSD1.63568 Å
Min PAE2.53044
Validation (Boltz-2)
Val. ipTM0.9330276250839233
Val. pLDDT0.8771613240242004
Designability
BoltzGen RMSD1.63568 Å
Min iPAE2.53044
H-bonds7.0
ΔSASA1982.41211 Ų
Secondary Structure
Helix 51%Sheet 14%Loop 36%
Sequence (118 AA)
VVVAPIIDEENWEKTIKVNALEAAKAAAALASKEGKGGVVVGMGSAASAGQPDPLHPVYAAAKAAVRGIAISYAAAAYLNGSGAEVLVGDLDGSAAAAEALNAEIEAAKGKAGFPGSI

boltzgen_r1_s2_config_4

#25 Score: 0.658 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.64272
pTM0.78341
Design RMSD2.3233 Å
Min PAE2.49048
Validation (Boltz-2)
Val. ipTM0.9463347792625427
Val. pLDDT0.9471890926361084
Designability
BoltzGen RMSD2.3233 Å
Min iPAE2.49048
H-bonds6.0
ΔSASA1978.16016 Ų
Secondary Structure
Helix 73%Sheet 0%Loop 27%
Sequence (95 AA)
SLEEQQKLVLDILKEVRDKADAAIAAKDLDAAEELYVETLKRFGKRGLEPDPTAPALTAAAFGAVGLAASAAMAAALLNGKTPKVAPATSFPGTG

boltzgen_r1_s1_config_3

#26 Score: 0.654 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.6754
pTM0.78539
Design RMSD2.76463 Å
Min PAE2.52802
Designability
BoltzGen RMSD2.76463 Å
Min iPAE2.52802
H-bonds7.0
ΔSASA2057.66504 Ų
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (90 AA)
GAEEVLAKVKEARAEAEELLARGDLRGIVEKAKEYEKKAHEAILARRPYEAAAYYACAGYFESMATLAALRDPEAAAEAGITPTPAVGLT

boltzgen_r1_s1_config_6

#27 Score: 0.649 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.64055
pTM0.73169
Design RMSD2.08605 Å
Min PAE3.07629
Validation (Boltz-2)
Val. ipTM0.9476288557052612
Val. pLDDT0.939019501209259
Designability
BoltzGen RMSD2.08605 Å
Min iPAE3.07629
H-bonds6.0
ΔSASA1854.41113 Ų
Secondary Structure
Helix 69%Sheet 0%Loop 31%
Sequence (89 AA)
LFEPVRELALGTAKKGLEALENKDAATLAEVAARARAALPIALSPLPERPVLTAAAAAVVGFARSLSLAAELLGVAPAAFPGESIPGTI

boltzgen_r0_s1_config_2

#28 Score: 0.645 ? boltzgen Active Site R0
Hydrophobic Polar Positive Negative Gly
ipTM0.66616
pTM0.7797
Design RMSD2.65381 Å
Min PAE2.90473
Designability
BoltzGen RMSD2.65381 Å
Min iPAE2.90473
H-bonds6.0
ΔSASA2184.54883 Ų
Secondary Structure
Helix 75%Sheet 0%Loop 25%
Sequence (92 AA)
FDIEKARKTVRELALETARELLRALDEDPAKGLELAEKTAEEVRVRGTTPLPEEPAVTAAYHAVYGLAKSVAEAAHYKLTGKLSAPSIPGLT

boltzgen_r2_s2_config_r2_s2_4

#29 Score: 0.641 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.51063
pTM0.84767
Design RMSD0.71704 Å
Min PAE4.82215
Designability
BoltzGen RMSD0.71704 Å
Min iPAE4.82215
H-bonds4.0
ΔSASA1549.19629 Ų
Secondary Structure
Helix 49%Sheet 15%Loop 36%
Sequence (105 AA)
MKPKVVVNDAPAVIDEEDWEAVVERNLRATIEAAEAALKLMSKANGGSGVVINVSSIAGLIPDPRAPVYTATKFGVVGFAESLNLACELADSGVKVGTVFPGPIP

boltzgen_r2_s2_config_r2_s2_1

#30 Score: 0.635 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.68142
pTM0.76892
Design RMSD3.09846 Å
Min PAE2.59903
Designability
BoltzGen RMSD3.09846 Å
Min iPAE2.59903
H-bonds8.0
ΔSASA1634.40332 Ų
Secondary Structure
Helix 56%Sheet 16%Loop 28%
Sequence (99 AA)
TVLDREGALKLVKELLLGTIKLAKAAVEAAKAAGKSGVVVLLASIAGLQPDPLHPAYTAAKFAVVGFAESLNEACKLAGTGVTVAVVFPGEMDVPKVAL

boltzgen_r1_s2_config_2

#31 Score: 0.634 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.63859
pTM0.81863
Design RMSD1.9874 Å
Min PAE3.93746
Validation (Boltz-2)
Val. ipTM0.9146954417228699
Val. pLDDT0.9065793752670288
Designability
BoltzGen RMSD1.9874 Å
Min iPAE3.93746
H-bonds6.0
ΔSASA1987.64746 Ų
Secondary Structure
Helix 41%Sheet 21%Loop 37%
Sequence (140 AA)
LVVVVAGPIVNFVFDDFEKALKENLVAAAKATEAAIELAKKLNTTGVVIVITTADTRVNPTKLAAIGLARSMARAAKLAGTGVRVNAIAPDYKTTTPEQIAEALATLIADPSLTGAVLKVNKNTGLTFEDFGDTDSYGSG

boltzgen_r2_s1_strategy1_active_site_5

#32 Score: 0.624 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.61084
pTM0.71087
Design RMSD2.26336 Å
Min PAE3.36658
Designability
BoltzGen RMSD2.26336 Å
Min iPAE3.36658
H-bonds4.0
ΔSASA1597.55859 Ų
Secondary Structure
Helix 77%Sheet 0%Loop 23%
Sequence (60 AA)
AAAAVAAAARAGCEAVVEDLGAPELRPAAEAAAAAAAAGAAASEAALAAGDFSDDVFSNT

boltzgen_r1_s3_config_1

#33 Score: 0.613 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.63385
pTM0.78482
Design RMSD1.59397 Å
Min PAE3.4468
Validation (Boltz-2)
Val. ipTM0.6789531111717224
Val. pLDDT0.9058688282966614
Designability
BoltzGen RMSD1.59397 Å
Min iPAE3.4468
H-bonds7.0
ΔSASA1717.13965 Ų
Secondary Structure
Helix 61%Sheet 0%Loop 39%
Sequence (69 AA)
SEELEKLVNELLEKIKNAKTVMDAQEAMIELVKIPETTTEAVVEAARIIAELAKTKPVDLSKPSVPGSV

boltzgen_r1_s2_config_5

#34 Score: 0.611 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.59941
pTM0.71614
Design RMSD1.67772 Å
Min PAE2.87387
Validation (Boltz-2)
Val. ipTM0.695586085319519
Val. pLDDT0.8190868496894836
Designability
BoltzGen RMSD1.67772 Å
Min iPAE2.87387
H-bonds2.0
ΔSASA2534.51074 Ų
Secondary Structure
Helix 70%Sheet 0%Loop 30%
Sequence (106 AA)
SAAAALAGALAAAAAGLAAGEAGDVEGALALARAGVMAARQPGKTLAEAVVSAIIAAGGGAAAGAAARRALEAGDQALIDELNALFNSPLPGTGFANTGPTTESGA

boltzgen_r2_s2_config_r2_s2_9

#35 Score: 0.611 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.59285
pTM0.51775
Design RMSD2.42885 Å
Min PAE2.67817
Validation (Boltz-2)
Val. ipTM0.9278782606124878
Val. pLDDT0.8704121112823486
Designability
BoltzGen RMSD2.42885 Å
Min iPAE2.67817
H-bonds6.0
ΔSASA1578.8252 Ų
Secondary Structure
Helix 59%Sheet 14%Loop 27%
Sequence (118 AA)
GAAAAAAATAGAIGGLAVNAAALAAGSGVLVGGAFVPNPLQPVFSAAIWATGGFAESTRLAMELQGGKVRVVFVAPGPGTAPPELSGAAALAAVVAALAAGEADPSLDGKTIIVAPDV

boltzgen_r1_s1_config_7

#36 Score: 0.605 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.62556
pTM0.69808
Design RMSD3.12986 Å
Min PAE2.67445
Designability
BoltzGen RMSD3.12986 Å
Min iPAE2.67445
H-bonds5.0
ΔSASA2003.9082 Ų
Secondary Structure
Helix 48%Sheet 20%Loop 32%
Sequence (129 AA)
GKLTVTVDEDGTVTLGHGIDEENWEEQIKLGALEAAKLIRRAIEEGSVKKVVADATGGGTHPVTTAAGAALAGLAVSANLASKLAGSGVECEARPGGIGGGAGARAAALIAENGEKVKAGEIKDIPGLI

boltzgen_r0_s1_config_0

#37 Score: 0.601 ? boltzgen Active Site R0
Hydrophobic Polar Positive Negative Gly
ipTM0.51183
pTM0.84192
Design RMSD1.10374 Å
Min PAE5.49404
Designability
BoltzGen RMSD1.10374 Å
Min iPAE5.49404
H-bonds1.0
ΔSASA1702.0791 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (85 AA)
IVPSREELQKLIDEHLKKAEEALKAGKPHEAVEHAVKALDVANALATLATVDLVVEAGIRAGELLLKANKLAEEQGLPLAPVFIS

boltzgen_r1_s2_config_0

#38 Score: 0.569 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.64562
pTM0.77429
Design RMSD1.90799 Å
Min PAE3.31283
Validation (Boltz-2)
Val. ipTM0.474547415971756
Val. pLDDT0.7406550049781799
Designability
BoltzGen RMSD1.90799 Å
Min iPAE3.31283
H-bonds4.0
ΔSASA2197.71289 Ų
Secondary Structure
Helix 40%Sheet 35%Loop 26%
Sequence (129 AA)
TVTLEGVPAPEAIVILTDVTSGTKAKVVTVTIDLGGKKRTVVTDDPIKAVEAALEAVRNRETVTIVVTDPYSGGGTAAAAAAVGAIAAALIPEATVTVTLESEEGTLTLTIRVDGTLEALKAVPGFGIS

boltzgen_r1_s3_config_7

#39 Score: 0.559 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.68027
pTM0.74501
Design RMSD4.66002 Å
Min PAE2.43124
Designability
BoltzGen RMSD4.66002 Å
Min iPAE2.43124
H-bonds7.0
ΔSASA1589.72949 Ų
Secondary Structure
Helix 50%Sheet 11%Loop 38%
Sequence (125 AA)
AVLVNAAGVEDNENWEETIRTNLLGTARGIFAALEHLPPGSTAVATGTYASLGQPEPEHPVYAASKAGVVGLARSMSRLSELKGTGVTVVAGVAPAPTLAGGLAAAAQALAAGPLLGPREAFGTI

boltzgen_r2_s1_strategy1_active_site_6

#40 Score: 0.539 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.50466
pTM0.69541
Design RMSD2.13109 Å
Min PAE5.401
Validation (Boltz-2)
Val. ipTM0.8356878757476807
Val. pLDDT0.8361727595329285
Designability
BoltzGen RMSD2.13109 Å
Min iPAE5.401
H-bonds3.0
ΔSASA1647.56055 Ų
Secondary Structure
Helix 74%Sheet 0%Loop 26%
Sequence (57 AA)
AAGLAFLAGVVGIGGAVLPHILARDLAGAAAAAVAGARVVAELVERFAPPDAPAGTF

boltzgen_r1_s1_config_4

#41 Score: 0.539 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.42573
pTM0.83967
Design RMSD0.6795 Å
Min PAE7.50139
Validation (Boltz-2)
Val. ipTM0.8319136500358582
Val. pLDDT0.9303044676780701
Designability
BoltzGen RMSD0.6795 Å
Min iPAE7.50139
H-bonds2.0
ΔSASA1619.43945 Ų
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (84 AA)
LSPAELIALGLALGAAAVAVAAATGDAETAVALGILAIYLLTLAGLLLGSRELALAGAVAGARAVEAALEAAVAKGAIMGGGIA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_2

#42 Score: 0.528 ? rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Validation (Boltz-2)
Val. ipTM0.7884624600410461
Val. pLDDT0.85178142786026
Rg17.906620568626515 Å
Chain breaks0
Secondary Structure
Helix 63%Sheet 4%Loop 33%
Sequence (102 AA)
ASVYAANTSGACPVAGSSSSTIVLPAAQNATLTAAQKAALLAAAKAAVAAAAATYKATKNGTAAAAAALLALAAAFAALGLPAAAAAAANTAALILAADAAA

boltzgen_r2_s1_strategy1_active_site_2

#43 Score: 0.518 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.51571
pTM0.80807
Design RMSD1.9445 Å
Min PAE5.77465
Validation (Boltz-2)
Val. ipTM0.6577681303024292
Val. pLDDT0.8541193008422852
Designability
BoltzGen RMSD1.9445 Å
Min iPAE5.77465
H-bonds5.0
ΔSASA1613.6123 Ų
Secondary Structure
Helix 75%Sheet 0%Loop 25%
Sequence (64 AA)
SEEDLLKAIETGTFIGATGKTLAEALAGALLMAAAEDAALAAGIDLTPLERKLADELGASPFGP

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_1

#44 Score: 0.490 ? rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Validation (Boltz-2)
Val. ipTM0.7314614057540894
Val. pLDDT0.8195611834526062
Rg17.851442129679548 Å
Chain breaks0
Secondary Structure
Helix 70%Sheet 0%Loop 30%
Sequence (102 AA)
NALKAAVLDLALASLGAAAAAIATLSAAAAAALLAAGAPLSAAVSTAATAVATASLILCGLSAASVAKAAALLANAAAQLPVITGPILPLPALPALPAVAVP

boltzgen_r2_s1_strategy1_active_site_1

#45 Score: 0.474 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.47935
pTM0.74175
Design RMSD2.88424 Å
Min PAE5.87414
Validation (Boltz-2)
Val. ipTM0.6923468112945557
Val. pLDDT0.9198283553123474
Designability
BoltzGen RMSD2.88424 Å
Min iPAE5.87414
H-bonds6.0
ΔSASA1758.79785 Ų
Secondary Structure
Helix 68%Sheet 2%Loop 30%
Sequence (80 AA)
SLAERDARAVARVKELLAKLETAKTATEANEILIEATEVLGQLTNAELAAELALEAARKVAEVVKKKKAKVDGNSIGGNG

boltzgen_r2_s1_strategy1_active_site_8

#46 Score: 0.464 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.48469
pTM0.62209
Design RMSD2.42763 Å
Min PAE5.23477
Validation (Boltz-2)
Val. ipTM0.522720456123352
Val. pLDDT0.8720085024833679
Designability
BoltzGen RMSD2.42763 Å
Min iPAE5.23477
H-bonds7.0
ΔSASA1780.47363 Ų
Secondary Structure
Helix 82%Sheet 0%Loop 18%
Sequence (77 AA)
LLAAALAALAGVLSALAGGAVAALGILLGNLELAVAGALAGAAGALAANLLATALLGPGGADRAGSLLAGDSGAGLT

boltzgen_r2_s1_strategy1_active_site_4

#47 Score: 0.454 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.3718
pTM0.75303
Design RMSD0.97239 Å
Min PAE9.04166
Validation (Boltz-2)
Val. ipTM0.7250621318817139
Val. pLDDT0.8844673037528992
Designability
BoltzGen RMSD0.97239 Å
Min iPAE9.04166
H-bonds2.0
ΔSASA1774.91992 Ų
Secondary Structure
Helix 81%Sheet 0%Loop 19%
Sequence (73 AA)
LAAGAAGLLAGLAGDTVAAAAAAAAAGAAGDALGALLGALGLVIAAFVATDEQRKRALEETVKIAKERGEDIL

boltzgen_r1_s2_config_3

#48 Score: 0.452 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.36333
pTM0.5958
Design RMSD1.76036 Å
Min PAE8.12147
Validation (Boltz-2)
Val. ipTM0.8487783670425415
Val. pLDDT0.9024195671081543
Designability
BoltzGen RMSD1.76036 Å
Min iPAE8.12147
H-bonds6.0
ΔSASA2146.50586 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (69 AA)
DLFEEGARKALEAARRAAELAKALEDPEEAGRAAAEAAFAGMQACGGYPPEELPALAAEELEEGGIGIT

boltzgen_r3_s2_strategy2_dimer_interface_12

#49 Score: 0.390 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.32978
pTM0.43886
Design RMSD1.35324 Å
Min PAE8.4083
Designability
BoltzGen RMSD1.35324 Å
Min iPAE8.4083
H-bonds4.0
ΔSASA2034.49902 Ų
Secondary Structure
Helix 62%Sheet 21%Loop 16%
Sequence (117 AA)
GPREVIEKGALEAAKRVREQYDAVVASKAGGEIVGEAEANAGAYPPAAAAAASAVVGFTVSMAEAAALASGGVLANDAAAQIRAGIAASVAAAKAALEAKDENAVLRYRGVGRVVPK

boltzgen_r1_s2_config_9

#50 Score: 0.381 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.38887
pTM0.5229
Design RMSD3.26477 Å
Min PAE6.57027
Designability
BoltzGen RMSD3.26477 Å
Min iPAE6.57027
H-bonds2.0
ΔSASA1541.88672 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (64 AA)
VALAVAGGVAGGAAAAAVAAQFPSLAAIATAAAAGAAAGAVAGGVLSAAALALGLSGGGTIGGA

boltzgen_r1_s3_config_0

#51 Score: 0.379 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.44449
pTM0.79135
Design RMSD3.73117 Å
Min PAE7.52922
Designability
BoltzGen RMSD3.73117 Å
Min iPAE7.52922
H-bonds6.0
ΔSASA2456.63086 Ų
Secondary Structure
Helix 56%Sheet 12%Loop 32%
Sequence (133 AA)
APVVIDLADPRDALARLREALETKRPVVLDASGDLPGSPEAARRVAELVAEALEKYTGLKVTVRAGAGPSNPAMAAGGAALVALALVEAGLISLEEAIEITLEAARVAGDALVKNGVGNYYNPEFGVGGGVIS

boltzgen_r3_s2_strategy2_dimer_interface_15

#52 Score: 0.370 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.45851
pTM0.65921
Design RMSD12.5882 Å
Min PAE5.39053
Designability
BoltzGen RMSD12.5882 Å
Min iPAE5.39053
ΔSASA1399.45703 Ų
Secondary Structure
Helix 45%Sheet 17%Loop 38%
Sequence (100 AA)
MVVVAAVAATNVNLLPGLDLALDVAAGVAGGALAAVTAIKEGGGEAGIIVATGGLAGPGVPEMPGASAAAGAAGGAARAGMECKFTGKKVGVAAAIGGFT

boltzgen_r2_s1_strategy1_active_site_0

#53 Score: 0.368 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.43863
pTM0.54231
Design RMSD5.91185 Å
Min PAE4.77113
Designability
BoltzGen RMSD5.91185 Å
Min iPAE4.77113
H-bonds3.0
ΔSASA1291.90039 Ų
Secondary Structure
Helix 69%Sheet 0%Loop 31%
Sequence (58 AA)
MTLAEKIDKAVEEAIQAVVDATPPTAPVAAALACAAVGLAASELMRELNLKPTVVGNG

boltzgen_r2_s1_strategy1_active_site_7

#54 Score: 0.359 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.24765
pTM0.63232
Design RMSD0.94478 Å
Min PAE11.84765
Designability
BoltzGen RMSD0.94478 Å
Min iPAE11.84765
H-bonds1.0
ΔSASA1765.93457 Ų
Secondary Structure
Helix 74%Sheet 0%Loop 26%
Sequence (65 AA)
GLEALALGVAGGVAALKLAKEVAEKYPELKDACIAGGVAALVGGVAAGVAGLLGLAGEEAGPVGG

boltzgen_r1_s1_config_0

#55 Score: 0.326 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.4147
pTM0.61022
Design RMSD12.1075 Å
Min PAE6.16148
Designability
BoltzGen RMSD12.1075 Å
Min iPAE6.16148
ΔSASA1306.76367 Ų
Secondary Structure
Helix 79%Sheet 0%Loop 21%
Sequence (66 AA)
ALAVAAALAAALRAAVEIGAQTGNPVLAALIGFAAGLAAGEALIALGLEEAQLLLSKALGEAAGVS

boltzgen_r2_s1_strategy1_active_site_9

#56 Score: 0.300 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.34712
pTM0.61976
Design RMSD2.72001 Å
Min PAE10.06919
Designability
BoltzGen RMSD2.72001 Å
Min iPAE10.06919
H-bonds2.0
ΔSASA1927.11035 Ų
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (71 AA)
ALVVATTVLGFLGSGAGALAGFLARSLALAVAGAVAGALLAYLATVAATAVFGPDAGYRFGKAIGEAVGPT

boltzgen_r3_s2_strategy2_dimer_interface_14

#57 Score: 0.289 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.26998
pTM0.51792
Design RMSD2.20286 Å
Min PAE11.00797
Designability
BoltzGen RMSD2.20286 Å
Min iPAE11.00797
H-bonds1.0
ΔSASA1718.20996 Ų
Secondary Structure
Helix 57%Sheet 27%Loop 16%
Sequence (106 AA)
AGGAGAGAVAATPTLGVGAAVGVGTDGKDAASSISAAAYAAGLALGAGALAAGAAYGWGAAAAAGAAAGWALGGAIGGAAYTALVAHLQGKPGLAVGAGVGVGFAV

boltzgen_r3_s2_strategy2_dimer_interface_16

#58 Score: 0.278 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.3533
pTM0.56426
Design RMSD3.51158 Å
Min PAE9.26811
Designability
BoltzGen RMSD3.51158 Å
Min iPAE9.26811
H-bonds1.0
ΔSASA1359.25 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (91 AA)
GAKALAAGLELAAKYPGALGSAAAAAASGAAGGAAGAAAALAATGDPAAAAGAAFGGGAAAVVGSVFAALYAGLANSGVLVTVVGAAVVPG

boltzgen_r3_s2_strategy2_dimer_interface_08

#59 Score: 0.274 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.34888
pTM0.7987
Design RMSD13.30793 Å
Min PAE7.93006
Designability
BoltzGen RMSD13.30793 Å
Min iPAE7.93006
H-bonds2.0
ΔSASA1482.66797 Ų
Secondary Structure
Helix 58%Sheet 13%Loop 29%
Sequence (91 AA)
WAEVRHVIKTMLEAQIKAAEKAIEKLSKANGGSGTVVVLASIAGVQPDPLRPAYTAAKFGVVGFAESLNLACKLANSGVEVKVVLPGLIDV

boltzgen_r3_s2_strategy2_dimer_interface_10

#60 Score: 0.236 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.34081
pTM0.50852
Design RMSD8.14292 Å
Min PAE7.89172
Designability
BoltzGen RMSD8.14292 Å
Min iPAE7.89172
H-bonds1.0
ΔSASA1818.98145 Ų
Secondary Structure
Helix 43%Sheet 31%Loop 26%
Sequence (97 AA)
MGAAIVVGDVVGKTTDLGGKVVEVDARIAIAGAAAAAALAAAVARKYGGTGGGIGIGIDPDNPVLAAGLAAGGAAGAAALAGILKSGKIHVFIRPGR

boltzgen_r1_s3_config_8

#61 Score: 0.235 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.24837
pTM0.5112
Design RMSD3.13602 Å
Min PAE13.6425
Designability
BoltzGen RMSD3.13602 Å
Min iPAE13.6425
H-bonds2.0
ΔSASA2027.26855 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (99 AA)
IEAAANLAGAGAALGYALGSSGSLLGLLAGVVGGLLGGLLARVGGLAPALAAAFAAVAGAAAGAALAAGLRGDALARAAAVLASFLLSGLPGNDIPGLV

boltzgen_r2_s1_strategy1_active_site_3

#62 Score: 0.174 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.2267
pTM0.82477
Design RMSD11.78474 Å
Min PAE14.91786
Designability
BoltzGen RMSD11.78474 Å
Min iPAE14.91786
ΔSASA1241.04395 Ų
Secondary Structure
Helix 77%Sheet 0%Loop 23%
Sequence (73 AA)
KEKLLKKIDELLAKALAAVEAGDAEAVVAAAREIADIAARSRDLEVALKAGEAIGEICDAALAAGIEIPGVIS

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_0

#63 Score: 0.164 ? rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Validation (Boltz-2)
Val. ipTM0.2411082535982132
Val. pLDDT0.8328705430030823
Rg17.998157488557343 Å
Chain breaks0
Secondary Structure
Helix 86%Sheet 0%Loop 14%
Sequence (102 AA)
MKTLSAAAEALLNAAAAAAIDAGKAMIAGDFAAAIAALAAAAAAATAALAVTLGKPALAAALAAAGAATAANTLLAGLAAFANLIDNADAETKSILLNAAGL

boltzgen_r1_s1_config_9

#64 Score: 0.145 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.23724
pTM0.56931
Design RMSD11.69234 Å
Min PAE13.10551
Designability
BoltzGen RMSD11.69234 Å
Min iPAE13.10551
H-bonds4.0
ΔSASA1794.55078 Ų
Secondary Structure
Helix 73%Sheet 0%Loop 27%
Sequence (105 AA)
SAAGIALAGALAGLAAGSGVGGAAAGVAAGALGGATGDPLMAAAGAAGAAAAGGAGMGIALARGDKAGAAAAAAGAGLGVFIGNYLAGVGGGAKVDASTGLGGTT

boltzgen_r1_s3_config_5

#65 Score: 0.141 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.23581
pTM0.53885
Design RMSD12.64008 Å
Min PAE12.94798
Designability
BoltzGen RMSD12.64008 Å
Min iPAE12.94798
H-bonds3.0
ΔSASA1863.12988 Ų
Secondary Structure
Helix 62%Sheet 20%Loop 18%
Sequence (114 AA)
GVSAAAVAVAGAGAALGARAAAIAAAGAAAAGAEAGLPVLGAAMAAGAATGAAAGACAAVAALAAGTAADPEGILRAIRGGAIAGEEAVKTGSAVGVVAVAASAATAAAGGVGG

boltzgen_r1_s1_config_5

#66 Score: 0.137 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.2333
pTM0.51139
Design RMSD11.77609 Å
Min PAE12.84727
Designability
BoltzGen RMSD11.77609 Å
Min iPAE12.84727
H-bonds1.0
ΔSASA1574.77344 Ų
Secondary Structure
Helix 70%Sheet 0%Loop 30%
Sequence (67 AA)
ALALGVAGGAAAAALAIKVGKESGIPGGEEVAAAAGVAALAGGIAAGAAGLLGKIVANGDTVPGNTS

boltzgen_r1_s2_config_8

#67 Score: 0.135 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.24136
pTM0.47734
Design RMSD5.77303 Å
Min PAE12.58521
Designability
BoltzGen RMSD5.77303 Å
Min iPAE12.58521
H-bonds4.0
ΔSASA2311.95605 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (97 AA)
SPALAGALAAAAAGLAGLGAAAAAIGVVGGVGGAAGDPVAAAAGGAAVGAAASAAKAAALRGDAERAAAAAAGAAAAVLGGGSMIPPVGDEDIGGVN

boltzgen_r1_s3_config_9

#68 Score: 0.124 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.21015
pTM0.46372
Design RMSD9.92313 Å
Min PAE13.87166
Designability
BoltzGen RMSD9.92313 Å
Min iPAE13.87166
H-bonds2.0
ΔSASA1282.5498 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (62 AA)
LALGIAAGAAAGAGAAAVAAESKNPAIGAAAAAGAAAGALAGGVAGEIARLLGIGGPGNSGD

boltzgen_r3_s2_strategy2_dimer_interface_19

#69 Score: 0.121 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.21249
pTM0.44019
Design RMSD8.97037 Å
Min PAE15.55702
Designability
BoltzGen RMSD8.97037 Å
Min iPAE15.55702
H-bonds1.0
ΔSASA1256.3418 Ų
Secondary Structure
Helix 66%Sheet 8%Loop 25%
Sequence (95 AA)
AAVVASGGGSGAGGAAARLAAAVGEEHGAPALGAAAGAAAAAGASASVWVLAGGDPAAATAAILAGIQTAALGGLAGVVTGSGVGVAAGGGAVAG

boltzgen_r3_s2_strategy2_dimer_interface_18

#70 Score: 0.115 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.22361
pTM0.36397
Design RMSD8.20344 Å
Min PAE12.36007
Designability
BoltzGen RMSD8.20344 Å
Min iPAE12.36007
H-bonds3.0
ΔSASA2121.61328 Ų
Secondary Structure
Helix 43%Sheet 24%Loop 33%
Sequence (107 AA)
AAGLGVATGVVGGTLFGIEIPLETLAGAVAAGARGAAEVAARYGGKGGIGGAGGAGASPRPPTADEPALAAGGAVGGVAGGAALAAITKSGIGVAPGAGEGEHVVVA

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_0

#71 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg12.76358326293584 Å
Chain breaks0
Secondary Structure
Helix 82%Sheet 6%Loop 12%
Sequence (65 AA)
SVSKAPISSATFLANLATKPVSALKTLLASLKSAIAIASATNDSGTLATASKLLSLISSALAAKA

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_1

#72 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg12.147275125666912 Å
Chain breaks0
Secondary Structure
Helix 83%Sheet 0%Loop 17%
Sequence (65 AA)
INIATALILGLIDLINILIESSKTSPAADTISLLESILANSAIAATIVPIAAIVAIAAANLLSAL

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_2

#73 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg15.6725983427192 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (65 AA)
AALAAKATAAFDTAVALIAAAKALEAAGAPAAIIDAVKAAADAALAAAEAYGAALAELIAQALLA

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_3

#74 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg12.224622457614373 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (65 AA)
AAALKTAADKLTIGAAVLLTEGDAAAAADAIAYFSAKFSLSTAEVNTAAANGTALAADLLAAASL

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_0

#75 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg13.590273611497377 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (111 AA)
AAALAALLAAAAALATSSDIAAKTTAIATCLTVISDAIVTLVASTDAATQAAAVAAIAAAAAILAATNNPAALSAAAVVLSAAATLLTLAGKSAAVAAALAALATAIAQTA

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_1

#76 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg14.396492260297892 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (111 AA)
AAAALAALAALLAAALALAATGTPAAEIAAGVLLSAALLLAALICDAAVGTAAAASDAATAASLLALTVATFIALGNATGAVANGDVATAAALAAAALALLAAIIAAAAAV

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_2

#77 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg13.27665430846444 Å
Chain breaks0
Secondary Structure
Helix 86%Sheet 0%Loop 14%
Sequence (111 AA)
MTGADVLALTQAVLTGVAAAIAAKDVAAAAAIVLAAAALVAAAAANPATPAAAIAALLLTLIAAVAITIAGLAAIGAAAEALAIVAAIADTLASVSANLAAFIAALGAALL

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_3

#78 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg13.311465038330837 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (111 AA)
TAAAIAAIKAAIDAGAAEAAVNAAAQAVISLGLAGLLDAAVAVANAVVAYAIASVTSAASAAIALGAIAATCAALPACALALGASVAAAIALASAQVAILCAAAKAILEKI
“The machinic phylum is materiality, natural or artificial, and both simultaneously; it is matter in movement, in flux, in variation.”— Gilles Deleuze & Félix Guattari, A Thousand Plateaus

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_0

#79 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.319577777192222 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (104 AA)
NALAAAIALAAAAIAAVAQGDLAAAIALVAAAVALAFNASADVAAAAVLALNLATNTIAAATALLIAQGQVDAAKAFLAAATIAVALAIAAALSALAAADPTLV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_1

#80 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.524660415628414 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (104 AA)
GAAAVVAALAALVAAIIALAALSADPAAIAALTTALTNLVTAIAVAAVAVSSDPAAALALATATLTAVANLAAAVAQSNVAAAAAAGAALLALAAALAALVAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_10

#81 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.460449294345102 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (104 AA)
LTAAAAALTGAAIAAAVALLAAAAAGIDAALVAVAIATAVATAVTALENSVAATGAITVAGLAAATVAALAALAAVLGCAGNAAAAAALLALAVATVAAVLAIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_11

#82 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.22484317176318 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (104 AA)
AALAAAAAAAAVAAAAAAVAAAAAGDAKAALAAATTALALLALAGELAGAAAVAVAAVTAAAVLIGKAAGAAAAGDTATATALMALVAAVLAGAAAAILAAAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_12

#83 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.480662472379946 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (104 AA)
MAAFLAAVAALAAAAVAAALAGNATAASLALQALTLVIALALPALALLAANGSAAAAAAIAAAAAILAATAAACAAAGLAACAAVALTAAAVLGIAAAIAAAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_13

#84 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.860838114548072 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (104 AA)
MAALAAGLAAIVANAAAAIAAAAAGDTAAAAANALAALLLIAQTLAAAKAALAKLSTAAQAAVLAALAAITVKLAAAAGAALAGNLAKAAANQAALAAAAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_14

#85 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.714287048539274 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (104 AA)
VAAAAAALLAAAAAALAAGDVAAAAAALTALAEGCIGLLAAGDLASALAIATAALPLALALAATGNPAAAGAAGQLIGLAAAALYALGQKDAALALVSAAAAAL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_15

#86 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.506507428507847 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (104 AA)
MAALKAAALATLTAIGAKLVAAAAADQQAAAAALVAALVAAAAAALDALAAGDFAAALAELAAAITAACDLLALASSNVAAASAALVTALDVIAASIAALGKLI

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_2

#87 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.790763409578776 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (104 AA)
VAAATAAVTALTDAAAAAIDANDIAALEAQTLALLNLLVDLVHLAAAAFADDPAAVTAVLNLVVAAILATVAAVAAAAIGDTAAAKANLAAASAAAKAIIALAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_3

#88 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.655143595349772 Å
Chain breaks0
Secondary Structure
Helix 91%Sheet 0%Loop 9%
Sequence (104 AA)
LAAAAAALLAAGLALAAAALNSTDLATAIALATAAAALLGAALGLAIAAQDTALANAAAAAAAAVIAAATKKLLELGASEATVKATIEALVLAFASAAAAVALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_4

#89 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.350991636307043 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (104 AA)
AAALAALAAVVLAAAAAAAAALAAAGQALAALVTAIAGAQLAGAIAAGNAVLALAYGTALAALLAVAGLSAAAAAIAAATLAAAAINADAVAAAAAADVLAFVL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_5

#90 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.430525691850736 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (104 AA)
AAAVAAAVAAALADPSPVVALQGITEVNTTVLLLALAGAAAAAAAAVAAASAALAAAAASASAAVRTLAVAGLLAAAAAAALAGDAAAAAALLAAAQAAAATVA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_6

#91 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.337364910892708 Å
Chain breaks0
Secondary Structure
Helix 87%Sheet 0%Loop 13%
Sequence (104 AA)
AAAARDAVLAALAATAAAFAAALSAAALALIVAAIQAVADGAGADAAAGAACALAAAAVVAAALGDAAGAAAAAALAAAAAAAAAALGAADLAAAAAAAVAAIT

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_7

#92 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.739789973235107 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (104 AA)
TAALAAAAVAAAVAGDVAGASDALVAVLAASSDSVLAKALLAVDIVTAATVAAVLAGSAAAIPAIALVLAAAVAVAVLSAIGDAALAAAVRDYCVAQAAAILAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_8

#93 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.51848311095322 Å
Chain breaks0
Secondary Structure
Helix 91%Sheet 0%Loop 9%
Sequence (104 AA)
ALAALLTLLACALAAALVLAVGLGLADAAAALAATLIAVLAAAAALLTAAAGLAGVQALATAVTAALAAGAALALTLPTAAAQAVLAALSALAAVLAAAAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_9

#94 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.573648080354543 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (104 AA)
NAAKLIAFGLVVAAALIAAALLSTINLVAGTIAASLVALIVALALPSILATAVDLGVSPASALAAATAIAVLTAVAAAAAALGKAAVAIAAAVALAATIIALAV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_0

#95 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.645460370732598 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (107 AA)
TAAAIAALQAALAAALAGDLATALALATAAVQTAAAAVGAAAAVLLVIEFGAHLTKAVVAASSDPVAALKAAAAVAAAAAAAAGALAAGASAATAAAIAATVYAAIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_1

#96 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.222376697247007 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (107 AA)
SAAATLAAIAALLAAAIAAAAAGDLVTAAVTASAALLLTNSTLVALTAAAKSLSIASVLSVMNLIVATIIATAAAVGAVAQNDLASAAAAAAAALAATAAAIALVAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_10

#97 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.210787646208432 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
LGAAFQAAVLSAVAAVANGNAAAAAAAANTALALVASISALSVAAALALTQTLLALAVALALAGETASAVALLNAAVALAAKAAAAAPDSALAKAVLLSANLLLAFV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_11

#98 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.743341329317769 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (107 AA)
TAAALVALAAAAVAAAALAAASTDPAVVAALLALIALLVAAILLLLAAAGLSPEATGTAIASIAALALLAAITAAIAAGQSLAAIAALVTATAIALALGIAVGLLAV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_12

#99 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.164872906716168 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (107 AA)
MAAAIAAATSAVLEASVAAILAAAAASDIVAAQAAALALLLILAEAIKAILQLLPQEPAVVAAALSLAVAAITATVAAAAAALLGQFAAANAAAAAAVACLDALAAL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_13

#100 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.274161290292184 Å
Chain breaks0
Secondary Structure
Helix 91%Sheet 0%Loop 9%
Sequence (107 AA)
AATAAAIAANDFATISLLTATAVGAAAVAFALAGSPDAAVATAILGAVAIATILSLIANDTLSAATTALLLAVVLAGLAALAALAAGNLDAAVAAAATVVALLASLL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_14

#101 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.612295692585084 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (107 AA)
ALAAIAAAASAIVAAALLALAKDDPLLLVNATAIALAHAACLAAAILVTAYVAQYNPAAVPAVAATLTAIAAAVLVSAAAALGNPTAAAIIAAVSTATAIAVVLVLS

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_15

#102 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.967761203431422 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
AAAVALVLAICLLIGLAVGVQTALGLAGAALDQKLVIDSAALLAAAVTLAVALNVAEPALIGIIFGDAAAAAAPAALAVAKLPGGAAALTAIAKSLLAAAASLLAAL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_2

#103 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.118256267916864 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
TATVLSLVAIAVAIAAAIALASILSPAETAAAVVALAANLAFSLALAAVAAQLLSAAEAAALAAVAAAAASVVAAAVINAISYGISDCVPIGIAGAAIVLAAAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_3

#104 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.363608016878137 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (107 AA)
AAAAVAAVLALVALADATGNPALTTAACTALVEAVAAFIKDKQFDSAIAVASAVLAACSAIVALNPTSTTAIAAAAVATANLAVALYAAGKKEAALAAVASGVAAIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_4

#105 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.819878413047997 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (107 AA)
AAAAAAKALIAAAKAALAAGDAAAAVAACLALLAAANDLAVTVAALAASKGNAAAALTVVDLTAAAAAACGKAAAAAAAGDAAAAAAALDAAAAALDALTAIAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_5

#106 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.658110538499825 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (107 AA)
MAAVAAACATAIAITAALAALIAASTNVAAAQLIALLANVVIPVNLVALIASYPSAAAAALVAAALAACAAILAAAAAASSNPVAKALLSAAALVLAASAALAAQIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_6

#107 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.778324941857148 Å
Chain breaks0
Secondary Structure
Helix 81%Sheet 0%Loop 19%
Sequence (107 AA)
AFAAALPQLSAATAAAVATIAAAATAAIIAAALAGDAAGVLAAAVAGVKALAAIAATASDPVTVLALSAAAAAIAALGATTALLLAAGVDPVTAVAAAIILAAAAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_7

#108 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.492396709408055 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
LALAAALLAAAAALIAAAATLSGAAKAAALSAAVAVLTTLIDEATKTILNPNATAAQKAAAAATLAACAALAAAIAAIDPTGAGAGTAVLTTLAACLSLTAQALAAQ

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_8

#109 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.558536194694446 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (107 AA)
LANVVATFTATVTTLTAVIIALVAAANATPAAAVPLLTAANATAGVLVEVIVEATSALLNLATSEAQVLQVMTAAILALLAVAYAVAGALDKAASALANAIATALNV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_9

#110 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.065509200294859 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (107 AA)
LAALAAIAAIDPAAGALLAAGVALLLAALASTDVATLIALAVLSALALGAAAGLASTAAAFAAAAALAAAAIATATIAAVLAGGAAAAKTLVAAATLAFAAGVVAGA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_3

#111 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg17.49313267281208 Å
Chain breaks0
Secondary Structure
Helix 70%Sheet 5%Loop 25%
Sequence (102 AA)
NINPGGKVVAAAAASNGGAGTDEAALQAALTALLTAADLATVEAAVAAVSAKLPSLYDPLLAAAATEALAYALALLKSDLKAAELNLQNLLATISAYLASKA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_0

#112 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg19.163322182182558 Å
Chain breaks0
Secondary Structure
Helix 75%Sheet 4%Loop 21%
Sequence (102 AA)
LVASSIAAPAVALNAANKALVDAILAAAAPLEAILLAIIDLLAPIGAAIFAAAVTALGQAKAKNVLVPIVKALATIAGKLCVEKGALLAGIALAVAAGALGA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_1

#113 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg17.376320931635977 Å
Chain breaks0
Secondary Structure
Helix 81%Sheet 9%Loop 10%
Sequence (102 AA)
MALPASPLSGGSADDMAAAAVATVTDAAKEAALAAIPAVTATLSALAAAAAATSAVHAILAAAALIATLGGLASVATGNAAIALAAVEIAAEVVKAAVSALL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_2

#114 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg18.51210897245778 Å
Chain breaks0
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (102 AA)
ALSAAVNAATVAAVAAALPAIKAQAEAADAVAAGAVAVAAAAAALAARLAALGAAAAAAAVAAAGANTALAIPAIAAATLAELANAPAPIPASQIPIIAPAA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_3

#115 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg19.911540227563528 Å
Chain breaks0
Secondary Structure
Helix 82%Sheet 5%Loop 13%
Sequence (102 AA)
EKSAAIAAAINAITAAMKPAIKAALDKADTAALAAAGAALGAAAAIALAALLGASAAQIAALALLSANTVAAILYAAQTTSIPACTPTAAQKANIAAYNEQL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_0

#116 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg20.941971263710595 Å
Chain breaks0
Secondary Structure
Helix 79%Sheet 0%Loop 21%
Sequence (105 AA)
MLAALQAAADALVAALKAAIKAALATLSPAAAAVAAAALGAAFYAALKAAILAVAAAAGIPTPAVAAPPAKSYAVDAALAAALKPAVAAALAEAKAKLDAELAAL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_1

#117 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg17.37720069858498 Å
Chain breaks0
Secondary Structure
Helix 54%Sheet 9%Loop 37%
Sequence (105 AA)
MGGGGGGGGGLGAAAPGMLGGVTSPLYATLNASLTIPASAPALPTTATSAAEFANAVAADLILAAALAAALLAATPAEGQAAAAAAAATLLANLAAIAADLLNAV

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_2

#118 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg18.99022195693482 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (105 AA)
MAAVIDAIIAAAKAAAAASQQKDAAALNTALGAVAALAALSVAIVLSEKGVAVDLNLLTKIAINSGLSTIDAANTVLAELNAITYDPNKLAKAAAAANAALAAAK

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_3

#119 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg18.826994116301755 Å
Chain breaks0
Secondary Structure
Helix 70%Sheet 5%Loop 25%
Sequence (105 AA)
IAGGGAGGGGGAPGLAGPIPAELKAAFLAAFAAASAAVAALLAQAAAAAAANGQAAKAAILAAAIAALAALTAALISGALDPVLAELNSPPLPNAELAAKANAAL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_0

#120 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg20.785582992311213 Å
Chain breaks0
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (105 AA)
VAAAAATLAAAAAALVAVLTAVAAAAAATGAPLAADLAVLAAVQLLTVATAAALAAAAGAAVPAASNVVTAPTLLPAAELAALNAATKAFIAAHGDATLAAIAAL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_1

#121 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg21.722918792362854 Å
Chain breaks0
Secondary Structure
Helix 58%Sheet 4%Loop 38%
Sequence (105 AA)
LPAVKATALAAAPAPPPTPIPIPPIQPPVLLADDSVIQDINAILKNSPFYATSVAAGAIAQNGAAAIAAASAAAIVLLGMSIAEALDLTLALVAALAAAIKAVLD

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_2

#122 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg16.603587288300982 Å
Chain breaks1
Secondary Structure
Helix 72%Sheet 6%Loop 22%
Sequence (105 AA)
AAKAGAGAILNAGGGPAGTDPVASAALMGIPLSIVAASLALISIAATLATFAQSLAAVAALAAAAAAAVALLIGAAIGNPAFGAKAAAAILAASAALIADLLAAA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_3

#123 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg16.273876578335287 Å
Chain breaks0
Secondary Structure
Helix 72%Sheet 0%Loop 28%
Sequence (105 AA)
AFTAAEAEAFGGVNGPADAELLLPASLVAATAAAIALAAALLTPAVAVITLSNNAALKAAAIAAAAAAAIAAVAPYINDPSAVGALAAACAAVLATAAGLLAAAI
“Nature is change, the continual elaboration of the new, a totality being created in an essentially open process of development without any preestablished model.”— Ilya Prigogine & Isabelle Stengers, Order Out of Chaos

boltzgen_r1_s3_config_6

#1 Score: 0.779 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.79234
pTM0.86407
Design RMSD0.50987 Å
Min PAE2.09829
Validation (Boltz-2)
Val. ipTM0.970676064491272
Val. pLDDT0.965877890586853
Designability
BoltzGen RMSD0.50987 Å
Min iPAE2.09829
H-bonds4.0
ΔSASA1535.18848 Ų
Secondary Structure
Helix 52%Sheet 16%Loop 32%
Sequence (103 AA)
AVVVNAASVIDEENWEETVKVNLLGTIKGALAALKAMGKKNGGKGGVIINIASIAGVQPHPEHPVYSASKFAVVGFAASLQEFCKLANSGVTVVVVLPPLELA

boltzgen_r1_s2_config_6

#2 Score: 0.777 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.78313
pTM0.86163
Design RMSD0.49092 Å
Min PAE2.09601
Validation (Boltz-2)
Val. ipTM0.9680948257446289
Val. pLDDT0.9636459350585938
Designability
BoltzGen RMSD0.49092 Å
Min iPAE2.09601
H-bonds4.0
ΔSASA1536.37305 Ų
Secondary Structure
Helix 50%Sheet 15%Loop 35%
Sequence (102 AA)
VVVNAAGIEDEENWEETIRINLLGTIKGARLALKLMSKKNGGKGGVVINISSLAGVQPDPTRPVYSASKAGVVGFSESLNLACKLDNSGVVVLSVLPGKVPM

boltzgen_r3_s2_strategy2_dimer_interface_09

#3 Score: 0.769 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.77145
pTM0.84873
Design RMSD0.47666 Å
Min PAE2.29825
Validation (Boltz-2)
Val. ipTM0.9691088795661926
Val. pLDDT0.9646424055099487
Designability
BoltzGen RMSD0.47666 Å
Min iPAE2.29825
H-bonds7.0
ΔSASA1475.96289 Ų
Secondary Structure
Helix 50%Sheet 16%Loop 34%
Sequence (101 AA)
AVVVNNAGIVDEENWEETIKVNLLNTIKGTEAALKLLSKENGGSGVVINISSLAGVQPDPTHPVYTATKFGVVGFAASMNEAAKLAKSGVKIGVVLPGPVP

boltzgen_r2_s2_config_r2_s2_0

#4 Score: 0.764 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.77746
pTM0.86539
Design RMSD0.78069 Å
Min PAE2.1416
Validation (Boltz-2)
Val. ipTM0.9661463499069214
Val. pLDDT0.9662173986434937
Designability
BoltzGen RMSD0.78069 Å
Min iPAE2.1416
H-bonds6.0
ΔSASA1525.32422 Ų
Secondary Structure
Helix 50%Sheet 17%Loop 33%
Sequence (102 AA)
MIVVVNNAGIIDEENWEKTIKVNLESTIKGTRAAFELCKKTGLPGVAINISSIAGVQPDPRHPVYTASKFGVVGFTASMNEAAKLANTGLEVVTVEPGPIDL

boltzgen_r2_s2_config_r2_s2_3

#5 Score: 0.760 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.71897
pTM0.80805
Design RMSD1.05114 Å
Min PAE2.41404
Designability
BoltzGen RMSD1.05114 Å
Min iPAE2.41404
H-bonds4.0
ΔSASA1664.61621 Ų
Secondary Structure
Helix 57%Sheet 13%Loop 30%
Sequence (94 AA)
LESLEEARRIVDVLLREQIRAAEEAIKKLSKANGGSGTVVLLSSLAGVQPNPLRPAYTASKFAVVGFAASLNEFCKLKNTGVTVTAVFPGEVPV

boltzgen_r2_s2_config_r2_s2_7

#6 Score: 0.755 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.74616
pTM0.82794
Design RMSD0.60465 Å
Min PAE2.38183
Validation (Boltz-2)
Val. ipTM0.9706094861030579
Val. pLDDT0.9655552506446838
Designability
BoltzGen RMSD0.60465 Å
Min iPAE2.38183
H-bonds2.0
ΔSASA1761.77246 Ų
Secondary Structure
Helix 60%Sheet 13%Loop 26%
Sequence (91 AA)
FDVDEANATVRELLLGQIKAARAALKKLSKKYGGKGGTVVLLSSLAGVGQPDPLEPAYTAAKAAVEGFARSLNLRCKLDDSGVEVLVVHPA

boltzgen_r3_s2_strategy2_dimer_interface_07

#7 Score: 0.754 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.75313
pTM0.83627
Design RMSD0.68022 Å
Min PAE2.44258
Validation (Boltz-2)
Val. ipTM0.9740952253341675
Val. pLDDT0.9717646241188049
Designability
BoltzGen RMSD0.68022 Å
Min iPAE2.44258
H-bonds5.0
ΔSASA1626.54297 Ų
Secondary Structure
Helix 60%Sheet 13%Loop 27%
Sequence (90 AA)
ETLEEALAVIDVGLRAAIKAAEAAIKLLSKKNGGSGVVVLLSSLAGVEPDPLRPAYTASKFGVVGFAASLNEFCKLADTGVTVAVVLPGP

boltzgen_r2_s2_config_r2_s2_8

#8 Score: 0.753 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.76339
pTM0.86097
Design RMSD0.90623 Å
Min PAE2.2324
Validation (Boltz-2)
Val. ipTM0.9642593264579773
Val. pLDDT0.9563659429550171
Designability
BoltzGen RMSD0.90623 Å
Min iPAE2.2324
H-bonds10.0
ΔSASA1554.61133 Ų
Secondary Structure
Helix 49%Sheet 18%Loop 33%
Sequence (105 AA)
MAVVVNAAGIRDEENWRKTIEVNLLGTIKGSLAALKLMSKKNGGIGGIIINASSLAGLQPDPRHPVYSASKFGVVGFTESLNEACKLDDSGVEVLSVEPPLADVY

boltzgen_r2_s2_config_r2_s2_2

#9 Score: 0.744 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.75869
pTM0.84812
Design RMSD1.14845 Å
Min PAE2.10481
Validation (Boltz-2)
Val. ipTM0.9561805129051208
Val. pLDDT0.9588843584060669
Designability
BoltzGen RMSD1.14845 Å
Min iPAE2.10481
H-bonds7.0
ΔSASA1499.16016 Ų
Secondary Structure
Helix 48%Sheet 15%Loop 37%
Sequence (108 AA)
MTVDLLVNNAGVVDEENWEKTIEVNLLGTIRGSLLGLELMSKKRGGRGGVIINISSLAGVQPDPTHPVYTASKFAVVGFTASLQEACKLADSGVEVLTVEPGPVDVDF

boltzgen_r2_s2_config_r2_s2_5

#10 Score: 0.740 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.67024
pTM0.75944
Design RMSD1.01878 Å
Min PAE2.44411
Designability
BoltzGen RMSD1.01878 Å
Min iPAE2.44411
H-bonds8.0
ΔSASA1508.75 Ų
Secondary Structure
Helix 57%Sheet 12%Loop 30%
Sequence (115 AA)
SPIETIETLALGGAKEARDALEAGKPRLAVGSSIAGVQPDPTRPAYSAAKAANVGFARSAALAAELAGTGTRIVAVAPGEIDADTAKEKRDAATKIGEEALAAHPDAPAGAVLLV

boltzgen_r3_s2_strategy2_dimer_interface_13

#11 Score: 0.736 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.74737
pTM0.84915
Design RMSD1.17122 Å
Min PAE2.25245
Validation (Boltz-2)
Val. ipTM0.9478304982185364
Val. pLDDT0.9579287767410278
Designability
BoltzGen RMSD1.17122 Å
Min iPAE2.25245
H-bonds3.0
ΔSASA1458.125 Ų
Secondary Structure
Helix 50%Sheet 15%Loop 35%
Sequence (109 AA)
LDRLDLLVNAANVVDEENWEETIKVNALGTAKGAFLGLYLMGRKYGGRGGVIVNISSIAGLQPDPTRPVYSASKFAVVGFAESLNLQAELDGSGVTVVSVLPGRTAISG

boltzgen_r3_s2_strategy2_dimer_interface_06

#12 Score: 0.735 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.76032
pTM0.84999
Design RMSD1.38035 Å
Min PAE2.09984
Validation (Boltz-2)
Val. ipTM0.9525102376937866
Val. pLDDT0.9603682160377502
Designability
BoltzGen RMSD1.38035 Å
Min iPAE2.09984
H-bonds7.0
ΔSASA1494.74609 Ų
Secondary Structure
Helix 49%Sheet 17%Loop 35%
Sequence (107 AA)
EVKVLVNNAGVLDEENWEKTIEVNLKGTIKGTELALKLMSKKNGGKGGVVINVSSLAGLQPDPLHPVYTASKFAVVGFTESMQLACKLEDSGVEVKSVHPGFVELPR

boltzgen_r3_s2_strategy2_dimer_interface_17

#13 Score: 0.733 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.7004
pTM0.80945
Design RMSD0.72934 Å
Min PAE2.4437
Validation (Boltz-2)
Val. ipTM0.9451389312744141
Val. pLDDT0.9589927792549133
Designability
BoltzGen RMSD0.72934 Å
Min iPAE2.4437
H-bonds7.0
ΔSASA1441.55176 Ų
Secondary Structure
Helix 54%Sheet 14%Loop 32%
Sequence (111 AA)
SVAEEFLRKYKPKVVINAAGVIDNENWLETIEINLLETIRASLEAVRLLSNANGGSGVVINISSLAGLQPDPEHPVYSASKFAVVGFAESLNLACKLANSGVTVLSVLPGP

boltzgen_r2_s2_config_r2_s2_6

#14 Score: 0.732 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.7132
pTM0.80333
Design RMSD0.9359 Å
Min PAE2.42761
Validation (Boltz-2)
Val. ipTM0.9696938991546631
Val. pLDDT0.9619081020355225
Designability
BoltzGen RMSD0.9359 Å
Min iPAE2.42761
H-bonds7.0
ΔSASA1781.74414 Ų
Secondary Structure
Helix 58%Sheet 13%Loop 29%
Sequence (93 AA)
ALPSIEEAREIARKLLLGTIKAAKEALKVLSKKYGGKGGVVVVLASIAGVQPDPTRPAYSAAKAALVGFAESLNLACKLLDSGVTVAVVLPGP

boltzgen_r1_s2_config_1

#15 Score: 0.719 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.72014
pTM0.85172
Design RMSD1.59838 Å
Min PAE2.13505
Validation (Boltz-2)
Val. ipTM0.9602777361869812
Val. pLDDT0.967853307723999
Designability
BoltzGen RMSD1.59838 Å
Min iPAE2.13505
H-bonds10.0
ΔSASA2035.77539 Ų
Secondary Structure
Helix 45%Sheet 19%Loop 35%
Sequence (139 AA)
AAIVVAAGVVDEEDWERTIEVNLRAAIKAAELAYERKIDCVVISSVAALLDPTHPVYTASKAAVVGFARSMARASELAGGGRINVVIPGKVTPETLPLIVQAVVELITDPSLNGAVLKVTKKKGIYYIDFGDLDIPGFS

boltzgen_r1_s1_config_1

#16 Score: 0.718 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.71672
pTM0.8078
Design RMSD1.29583 Å
Min PAE2.31749
Validation (Boltz-2)
Val. ipTM0.941166341304779
Val. pLDDT0.9413262009620667
Designability
BoltzGen RMSD1.29583 Å
Min iPAE2.31749
H-bonds9.0
ΔSASA1564.42578 Ų
Secondary Structure
Helix 57%Sheet 12%Loop 31%
Sequence (100 AA)
KLGLELSEEGVRRTIREELLAPIKAAEAALKELSKANGGSGVFVNISSIAGLQPDPLRPVYTATKFGVVGFTASLQELCKLKNSGVEVVSVFPPLQDVDL

boltzgen_r1_s3_config_2

#17 Score: 0.717 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.70269
pTM0.83297
Design RMSD1.33322 Å
Min PAE2.36226
Validation (Boltz-2)
Val. ipTM0.9574998617172241
Val. pLDDT0.9395008087158203
Designability
BoltzGen RMSD1.33322 Å
Min iPAE2.36226
H-bonds12.0
ΔSASA2399.20703 Ų
Secondary Structure
Helix 45%Sheet 31%Loop 24%
Sequence (131 AA)
LPALGSLGLRKVTITATGLSAEQAEELARFAKYIAEQLNKFAKEYFGGEVTAEVLELADDGVTIEVSGDEKAGVALAAAAAAVVGYAMSLAALGALRAGKPYATVTVTVEGTYGTGTKTFKVPPRGFAGNG

boltzgen_r1_s1_config_2

#18 Score: 0.716 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.6782
pTM0.80102
Design RMSD0.79987 Å
Min PAE2.89307
Validation (Boltz-2)
Val. ipTM0.9582513570785522
Val. pLDDT0.9636729955673218
Designability
BoltzGen RMSD0.79987 Å
Min iPAE2.89307
H-bonds2.0
ΔSASA2152.13867 Ų
Secondary Structure
Helix 79%Sheet 0%Loop 21%
Sequence (91 AA)
LAPVAAAAALVLEGARIAVEGIKNGKALEAAEELERLADAVAGKFPGVAFALRGMAEAARAAALVQEGKAEEAFAIERERAEELGADIGPT

boltzgen_r1_s3_config_4

#19 Score: 0.707 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.6817
pTM0.80517
Design RMSD1.44296 Å
Min PAE2.32245
Validation (Boltz-2)
Val. ipTM0.9562031030654907
Val. pLDDT0.9405336976051331
Designability
BoltzGen RMSD1.44296 Å
Min iPAE2.32245
H-bonds10.0
ΔSASA2097.07715 Ų
Secondary Structure
Helix 39%Sheet 31%Loop 30%
Sequence (128 AA)
ATVKIVCKGPNGEVEKVVEGEGDSFDLESARKLIEELLREAIKGLEEAIEKTKATEIHVTLPEPVDPTRPAVSAAASAVVGYARSLAQQAARRYGIPSVKVTITYVGPDGRTGTREEELGDKSIGALT

boltzgen_r1_s2_config_7

#20 Score: 0.707 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.73546
pTM0.83503
Design RMSD1.81117 Å
Min PAE2.27991
Validation (Boltz-2)
Val. ipTM0.9418842196464539
Val. pLDDT0.9499676823616028
Designability
BoltzGen RMSD1.81117 Å
Min iPAE2.27991
H-bonds5.0
ΔSASA1572.56934 Ų
Secondary Structure
Helix 46%Sheet 14%Loop 40%
Sequence (111 AA)
LEGDRLDLAVNAAGVVDEEDWEKTIEINLRGTIKGAFAALEAMGRRNGGRGGVVINMSSLAGVQPDPTRPVYSAAKHGVVGFAESLNLAAKLADSGVTVVTVRPGPGGIAE

boltzgen_r0_s1_config_1

#21 Score: 0.697 ? boltzgen Active Site R0
Hydrophobic Polar Positive Negative Gly
ipTM0.69456
pTM0.80343
Design RMSD1.95542 Å
Min PAE2.7304
Designability
BoltzGen RMSD1.95542 Å
Min iPAE2.7304
H-bonds10.0
ΔSASA2106.29199 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (96 AA)
SEIEAAQDLVLSIVKEAYALASSTTEEGLRRARELLEEVRTLAETPVPEAPALTAGAAGALGVILSTFRALALKGNELAKKLVEELNIPESVGAGV

boltzgen_r3_s2_strategy2_dimer_interface_11

#22 Score: 0.693 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.61968
pTM0.72394
Design RMSD0.76786 Å
Min PAE2.76493
Validation (Boltz-2)
Val. ipTM0.9217520356178284
Val. pLDDT0.9205045104026794
Designability
BoltzGen RMSD0.76786 Å
Min iPAE2.76493
H-bonds9.0
ΔSASA1542.88379 Ų
Secondary Structure
Helix 58%Sheet 13%Loop 29%
Sequence (93 AA)
SPVIEALALGAAKAARAGLEAGKGTVVLPASLAGLQPDPTAPVYSAAKAAVVGLAASMNLAAKLAGSGVTVAVVAPGRVDTPLERLGETERPR

boltzgen_r1_s3_config_3

#23 Score: 0.693 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.69238
pTM0.80063
Design RMSD1.8426 Å
Min PAE2.37894
Validation (Boltz-2)
Val. ipTM0.9551690220832825
Val. pLDDT0.9546285271644592
Designability
BoltzGen RMSD1.8426 Å
Min iPAE2.37894
H-bonds6.0
ΔSASA2133.7627 Ų
Secondary Structure
Helix 44%Sheet 24%Loop 32%
Sequence (122 AA)
PERLVVVCGAGVVDEEDWEKTIEVNLLGAAKLARAGLELAKKLGAKELTLVAAGSTAALGQPDPTHPVYAATKAAVAGFTRSMARAAELKYGIKARAYLLVVTPEHGATLVDLNAPSFPSFI

boltzgen_r1_s1_config_8

#24 Score: 0.681 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.66117
pTM0.75415
Design RMSD1.63568 Å
Min PAE2.53044
Validation (Boltz-2)
Val. ipTM0.9330276250839233
Val. pLDDT0.8771613240242004
Designability
BoltzGen RMSD1.63568 Å
Min iPAE2.53044
H-bonds7.0
ΔSASA1982.41211 Ų
Secondary Structure
Helix 51%Sheet 14%Loop 36%
Sequence (118 AA)
VVVAPIIDEENWEKTIKVNALEAAKAAAALASKEGKGGVVVGMGSAASAGQPDPLHPVYAAAKAAVRGIAISYAAAAYLNGSGAEVLVGDLDGSAAAAEALNAEIEAAKGKAGFPGSI

boltzgen_r1_s2_config_4

#25 Score: 0.658 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.64272
pTM0.78341
Design RMSD2.3233 Å
Min PAE2.49048
Validation (Boltz-2)
Val. ipTM0.9463347792625427
Val. pLDDT0.9471890926361084
Designability
BoltzGen RMSD2.3233 Å
Min iPAE2.49048
H-bonds6.0
ΔSASA1978.16016 Ų
Secondary Structure
Helix 73%Sheet 0%Loop 27%
Sequence (95 AA)
SLEEQQKLVLDILKEVRDKADAAIAAKDLDAAEELYVETLKRFGKRGLEPDPTAPALTAAAFGAVGLAASAAMAAALLNGKTPKVAPATSFPGTG

boltzgen_r1_s1_config_3

#26 Score: 0.654 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.6754
pTM0.78539
Design RMSD2.76463 Å
Min PAE2.52802
Designability
BoltzGen RMSD2.76463 Å
Min iPAE2.52802
H-bonds7.0
ΔSASA2057.66504 Ų
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (90 AA)
GAEEVLAKVKEARAEAEELLARGDLRGIVEKAKEYEKKAHEAILARRPYEAAAYYACAGYFESMATLAALRDPEAAAEAGITPTPAVGLT

boltzgen_r1_s1_config_6

#27 Score: 0.649 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.64055
pTM0.73169
Design RMSD2.08605 Å
Min PAE3.07629
Validation (Boltz-2)
Val. ipTM0.9476288557052612
Val. pLDDT0.939019501209259
Designability
BoltzGen RMSD2.08605 Å
Min iPAE3.07629
H-bonds6.0
ΔSASA1854.41113 Ų
Secondary Structure
Helix 69%Sheet 0%Loop 31%
Sequence (89 AA)
LFEPVRELALGTAKKGLEALENKDAATLAEVAARARAALPIALSPLPERPVLTAAAAAVVGFARSLSLAAELLGVAPAAFPGESIPGTI

boltzgen_r0_s1_config_2

#28 Score: 0.645 ? boltzgen Active Site R0
Hydrophobic Polar Positive Negative Gly
ipTM0.66616
pTM0.7797
Design RMSD2.65381 Å
Min PAE2.90473
Designability
BoltzGen RMSD2.65381 Å
Min iPAE2.90473
H-bonds6.0
ΔSASA2184.54883 Ų
Secondary Structure
Helix 75%Sheet 0%Loop 25%
Sequence (92 AA)
FDIEKARKTVRELALETARELLRALDEDPAKGLELAEKTAEEVRVRGTTPLPEEPAVTAAYHAVYGLAKSVAEAAHYKLTGKLSAPSIPGLT

boltzgen_r2_s2_config_r2_s2_4

#29 Score: 0.641 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.51063
pTM0.84767
Design RMSD0.71704 Å
Min PAE4.82215
Designability
BoltzGen RMSD0.71704 Å
Min iPAE4.82215
H-bonds4.0
ΔSASA1549.19629 Ų
Secondary Structure
Helix 49%Sheet 15%Loop 36%
Sequence (105 AA)
MKPKVVVNDAPAVIDEEDWEAVVERNLRATIEAAEAALKLMSKANGGSGVVINVSSIAGLIPDPRAPVYTATKFGVVGFAESLNLACELADSGVKVGTVFPGPIP

boltzgen_r2_s2_config_r2_s2_1

#30 Score: 0.635 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.68142
pTM0.76892
Design RMSD3.09846 Å
Min PAE2.59903
Designability
BoltzGen RMSD3.09846 Å
Min iPAE2.59903
H-bonds8.0
ΔSASA1634.40332 Ų
Secondary Structure
Helix 56%Sheet 16%Loop 28%
Sequence (99 AA)
TVLDREGALKLVKELLLGTIKLAKAAVEAAKAAGKSGVVVLLASIAGLQPDPLHPAYTAAKFAVVGFAESLNEACKLAGTGVTVAVVFPGEMDVPKVAL

boltzgen_r1_s2_config_2

#31 Score: 0.634 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.63859
pTM0.81863
Design RMSD1.9874 Å
Min PAE3.93746
Validation (Boltz-2)
Val. ipTM0.9146954417228699
Val. pLDDT0.9065793752670288
Designability
BoltzGen RMSD1.9874 Å
Min iPAE3.93746
H-bonds6.0
ΔSASA1987.64746 Ų
Secondary Structure
Helix 41%Sheet 21%Loop 37%
Sequence (140 AA)
LVVVVAGPIVNFVFDDFEKALKENLVAAAKATEAAIELAKKLNTTGVVIVITTADTRVNPTKLAAIGLARSMARAAKLAGTGVRVNAIAPDYKTTTPEQIAEALATLIADPSLTGAVLKVNKNTGLTFEDFGDTDSYGSG

boltzgen_r2_s1_strategy1_active_site_5

#32 Score: 0.624 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.61084
pTM0.71087
Design RMSD2.26336 Å
Min PAE3.36658
Designability
BoltzGen RMSD2.26336 Å
Min iPAE3.36658
H-bonds4.0
ΔSASA1597.55859 Ų
Secondary Structure
Helix 77%Sheet 0%Loop 23%
Sequence (60 AA)
AAAAVAAAARAGCEAVVEDLGAPELRPAAEAAAAAAAAGAAASEAALAAGDFSDDVFSNT

boltzgen_r1_s3_config_1

#33 Score: 0.613 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.63385
pTM0.78482
Design RMSD1.59397 Å
Min PAE3.4468
Validation (Boltz-2)
Val. ipTM0.6789531111717224
Val. pLDDT0.9058688282966614
Designability
BoltzGen RMSD1.59397 Å
Min iPAE3.4468
H-bonds7.0
ΔSASA1717.13965 Ų
Secondary Structure
Helix 61%Sheet 0%Loop 39%
Sequence (69 AA)
SEELEKLVNELLEKIKNAKTVMDAQEAMIELVKIPETTTEAVVEAARIIAELAKTKPVDLSKPSVPGSV

boltzgen_r1_s2_config_5

#34 Score: 0.611 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.59941
pTM0.71614
Design RMSD1.67772 Å
Min PAE2.87387
Validation (Boltz-2)
Val. ipTM0.695586085319519
Val. pLDDT0.8190868496894836
Designability
BoltzGen RMSD1.67772 Å
Min iPAE2.87387
H-bonds2.0
ΔSASA2534.51074 Ų
Secondary Structure
Helix 70%Sheet 0%Loop 30%
Sequence (106 AA)
SAAAALAGALAAAAAGLAAGEAGDVEGALALARAGVMAARQPGKTLAEAVVSAIIAAGGGAAAGAAARRALEAGDQALIDELNALFNSPLPGTGFANTGPTTESGA

boltzgen_r2_s2_config_r2_s2_9

#35 Score: 0.611 ? boltzgen Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
ipTM0.59285
pTM0.51775
Design RMSD2.42885 Å
Min PAE2.67817
Validation (Boltz-2)
Val. ipTM0.9278782606124878
Val. pLDDT0.8704121112823486
Designability
BoltzGen RMSD2.42885 Å
Min iPAE2.67817
H-bonds6.0
ΔSASA1578.8252 Ų
Secondary Structure
Helix 59%Sheet 14%Loop 27%
Sequence (118 AA)
GAAAAAAATAGAIGGLAVNAAALAAGSGVLVGGAFVPNPLQPVFSAAIWATGGFAESTRLAMELQGGKVRVVFVAPGPGTAPPELSGAAALAAVVAALAAGEADPSLDGKTIIVAPDV

boltzgen_r1_s1_config_7

#36 Score: 0.605 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.62556
pTM0.69808
Design RMSD3.12986 Å
Min PAE2.67445
Designability
BoltzGen RMSD3.12986 Å
Min iPAE2.67445
H-bonds5.0
ΔSASA2003.9082 Ų
Secondary Structure
Helix 48%Sheet 20%Loop 32%
Sequence (129 AA)
GKLTVTVDEDGTVTLGHGIDEENWEEQIKLGALEAAKLIRRAIEEGSVKKVVADATGGGTHPVTTAAGAALAGLAVSANLASKLAGSGVECEARPGGIGGGAGARAAALIAENGEKVKAGEIKDIPGLI

boltzgen_r0_s1_config_0

#37 Score: 0.601 ? boltzgen Active Site R0
Hydrophobic Polar Positive Negative Gly
ipTM0.51183
pTM0.84192
Design RMSD1.10374 Å
Min PAE5.49404
Designability
BoltzGen RMSD1.10374 Å
Min iPAE5.49404
H-bonds1.0
ΔSASA1702.0791 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (85 AA)
IVPSREELQKLIDEHLKKAEEALKAGKPHEAVEHAVKALDVANALATLATVDLVVEAGIRAGELLLKANKLAEEQGLPLAPVFIS

boltzgen_r1_s2_config_0

#38 Score: 0.569 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.64562
pTM0.77429
Design RMSD1.90799 Å
Min PAE3.31283
Validation (Boltz-2)
Val. ipTM0.474547415971756
Val. pLDDT0.7406550049781799
Designability
BoltzGen RMSD1.90799 Å
Min iPAE3.31283
H-bonds4.0
ΔSASA2197.71289 Ų
Secondary Structure
Helix 40%Sheet 35%Loop 26%
Sequence (129 AA)
TVTLEGVPAPEAIVILTDVTSGTKAKVVTVTIDLGGKKRTVVTDDPIKAVEAALEAVRNRETVTIVVTDPYSGGGTAAAAAAVGAIAAALIPEATVTVTLESEEGTLTLTIRVDGTLEALKAVPGFGIS

boltzgen_r1_s3_config_7

#39 Score: 0.559 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.68027
pTM0.74501
Design RMSD4.66002 Å
Min PAE2.43124
Designability
BoltzGen RMSD4.66002 Å
Min iPAE2.43124
H-bonds7.0
ΔSASA1589.72949 Ų
Secondary Structure
Helix 50%Sheet 11%Loop 38%
Sequence (125 AA)
AVLVNAAGVEDNENWEETIRTNLLGTARGIFAALEHLPPGSTAVATGTYASLGQPEPEHPVYAASKAGVVGLARSMSRLSELKGTGVTVVAGVAPAPTLAGGLAAAAQALAAGPLLGPREAFGTI

boltzgen_r2_s1_strategy1_active_site_6

#40 Score: 0.539 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.50466
pTM0.69541
Design RMSD2.13109 Å
Min PAE5.401
Validation (Boltz-2)
Val. ipTM0.8356878757476807
Val. pLDDT0.8361727595329285
Designability
BoltzGen RMSD2.13109 Å
Min iPAE5.401
H-bonds3.0
ΔSASA1647.56055 Ų
Secondary Structure
Helix 74%Sheet 0%Loop 26%
Sequence (57 AA)
AAGLAFLAGVVGIGGAVLPHILARDLAGAAAAAVAGARVVAELVERFAPPDAPAGTF

boltzgen_r1_s1_config_4

#41 Score: 0.539 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.42573
pTM0.83967
Design RMSD0.6795 Å
Min PAE7.50139
Validation (Boltz-2)
Val. ipTM0.8319136500358582
Val. pLDDT0.9303044676780701
Designability
BoltzGen RMSD0.6795 Å
Min iPAE7.50139
H-bonds2.0
ΔSASA1619.43945 Ų
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (84 AA)
LSPAELIALGLALGAAAVAVAAATGDAETAVALGILAIYLLTLAGLLLGSRELALAGAVAGARAVEAALEAAVAKGAIMGGGIA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_2

#42 Score: 0.528 ? rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Validation (Boltz-2)
Val. ipTM0.7884624600410461
Val. pLDDT0.85178142786026
Rg17.906620568626515 Å
Chain breaks0
Secondary Structure
Helix 63%Sheet 4%Loop 33%
Sequence (102 AA)
ASVYAANTSGACPVAGSSSSTIVLPAAQNATLTAAQKAALLAAAKAAVAAAAATYKATKNGTAAAAAALLALAAAFAALGLPAAAAAAANTAALILAADAAA

boltzgen_r2_s1_strategy1_active_site_2

#43 Score: 0.518 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.51571
pTM0.80807
Design RMSD1.9445 Å
Min PAE5.77465
Validation (Boltz-2)
Val. ipTM0.6577681303024292
Val. pLDDT0.8541193008422852
Designability
BoltzGen RMSD1.9445 Å
Min iPAE5.77465
H-bonds5.0
ΔSASA1613.6123 Ų
Secondary Structure
Helix 75%Sheet 0%Loop 25%
Sequence (64 AA)
SEEDLLKAIETGTFIGATGKTLAEALAGALLMAAAEDAALAAGIDLTPLERKLADELGASPFGP

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_1

#44 Score: 0.490 ? rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Validation (Boltz-2)
Val. ipTM0.7314614057540894
Val. pLDDT0.8195611834526062
Rg17.851442129679548 Å
Chain breaks0
Secondary Structure
Helix 70%Sheet 0%Loop 30%
Sequence (102 AA)
NALKAAVLDLALASLGAAAAAIATLSAAAAAALLAAGAPLSAAVSTAATAVATASLILCGLSAASVAKAAALLANAAAQLPVITGPILPLPALPALPAVAVP

boltzgen_r2_s1_strategy1_active_site_1

#45 Score: 0.474 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.47935
pTM0.74175
Design RMSD2.88424 Å
Min PAE5.87414
Validation (Boltz-2)
Val. ipTM0.6923468112945557
Val. pLDDT0.9198283553123474
Designability
BoltzGen RMSD2.88424 Å
Min iPAE5.87414
H-bonds6.0
ΔSASA1758.79785 Ų
Secondary Structure
Helix 68%Sheet 2%Loop 30%
Sequence (80 AA)
SLAERDARAVARVKELLAKLETAKTATEANEILIEATEVLGQLTNAELAAELALEAARKVAEVVKKKKAKVDGNSIGGNG

boltzgen_r2_s1_strategy1_active_site_8

#46 Score: 0.464 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.48469
pTM0.62209
Design RMSD2.42763 Å
Min PAE5.23477
Validation (Boltz-2)
Val. ipTM0.522720456123352
Val. pLDDT0.8720085024833679
Designability
BoltzGen RMSD2.42763 Å
Min iPAE5.23477
H-bonds7.0
ΔSASA1780.47363 Ų
Secondary Structure
Helix 82%Sheet 0%Loop 18%
Sequence (77 AA)
LLAAALAALAGVLSALAGGAVAALGILLGNLELAVAGALAGAAGALAANLLATALLGPGGADRAGSLLAGDSGAGLT

boltzgen_r2_s1_strategy1_active_site_4

#47 Score: 0.454 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.3718
pTM0.75303
Design RMSD0.97239 Å
Min PAE9.04166
Validation (Boltz-2)
Val. ipTM0.7250621318817139
Val. pLDDT0.8844673037528992
Designability
BoltzGen RMSD0.97239 Å
Min iPAE9.04166
H-bonds2.0
ΔSASA1774.91992 Ų
Secondary Structure
Helix 81%Sheet 0%Loop 19%
Sequence (73 AA)
LAAGAAGLLAGLAGDTVAAAAAAAAAGAAGDALGALLGALGLVIAAFVATDEQRKRALEETVKIAKERGEDIL

boltzgen_r1_s2_config_3

#48 Score: 0.452 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.36333
pTM0.5958
Design RMSD1.76036 Å
Min PAE8.12147
Validation (Boltz-2)
Val. ipTM0.8487783670425415
Val. pLDDT0.9024195671081543
Designability
BoltzGen RMSD1.76036 Å
Min iPAE8.12147
H-bonds6.0
ΔSASA2146.50586 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (69 AA)
DLFEEGARKALEAARRAAELAKALEDPEEAGRAAAEAAFAGMQACGGYPPEELPALAAEELEEGGIGIT

boltzgen_r3_s2_strategy2_dimer_interface_12

#49 Score: 0.390 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.32978
pTM0.43886
Design RMSD1.35324 Å
Min PAE8.4083
Designability
BoltzGen RMSD1.35324 Å
Min iPAE8.4083
H-bonds4.0
ΔSASA2034.49902 Ų
Secondary Structure
Helix 62%Sheet 21%Loop 16%
Sequence (117 AA)
GPREVIEKGALEAAKRVREQYDAVVASKAGGEIVGEAEANAGAYPPAAAAAASAVVGFTVSMAEAAALASGGVLANDAAAQIRAGIAASVAAAKAALEAKDENAVLRYRGVGRVVPK

boltzgen_r1_s2_config_9

#50 Score: 0.381 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.38887
pTM0.5229
Design RMSD3.26477 Å
Min PAE6.57027
Designability
BoltzGen RMSD3.26477 Å
Min iPAE6.57027
H-bonds2.0
ΔSASA1541.88672 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (64 AA)
VALAVAGGVAGGAAAAAVAAQFPSLAAIATAAAAGAAAGAVAGGVLSAAALALGLSGGGTIGGA

boltzgen_r1_s3_config_0

#51 Score: 0.379 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.44449
pTM0.79135
Design RMSD3.73117 Å
Min PAE7.52922
Designability
BoltzGen RMSD3.73117 Å
Min iPAE7.52922
H-bonds6.0
ΔSASA2456.63086 Ų
Secondary Structure
Helix 56%Sheet 12%Loop 32%
Sequence (133 AA)
APVVIDLADPRDALARLREALETKRPVVLDASGDLPGSPEAARRVAELVAEALEKYTGLKVTVRAGAGPSNPAMAAGGAALVALALVEAGLISLEEAIEITLEAARVAGDALVKNGVGNYYNPEFGVGGGVIS

boltzgen_r3_s2_strategy2_dimer_interface_15

#52 Score: 0.370 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.45851
pTM0.65921
Design RMSD12.5882 Å
Min PAE5.39053
Designability
BoltzGen RMSD12.5882 Å
Min iPAE5.39053
ΔSASA1399.45703 Ų
Secondary Structure
Helix 45%Sheet 17%Loop 38%
Sequence (100 AA)
MVVVAAVAATNVNLLPGLDLALDVAAGVAGGALAAVTAIKEGGGEAGIIVATGGLAGPGVPEMPGASAAAGAAGGAARAGMECKFTGKKVGVAAAIGGFT

boltzgen_r2_s1_strategy1_active_site_0

#53 Score: 0.368 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.43863
pTM0.54231
Design RMSD5.91185 Å
Min PAE4.77113
Designability
BoltzGen RMSD5.91185 Å
Min iPAE4.77113
H-bonds3.0
ΔSASA1291.90039 Ų
Secondary Structure
Helix 69%Sheet 0%Loop 31%
Sequence (58 AA)
MTLAEKIDKAVEEAIQAVVDATPPTAPVAAALACAAVGLAASELMRELNLKPTVVGNG

boltzgen_r2_s1_strategy1_active_site_7

#54 Score: 0.359 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.24765
pTM0.63232
Design RMSD0.94478 Å
Min PAE11.84765
Designability
BoltzGen RMSD0.94478 Å
Min iPAE11.84765
H-bonds1.0
ΔSASA1765.93457 Ų
Secondary Structure
Helix 74%Sheet 0%Loop 26%
Sequence (65 AA)
GLEALALGVAGGVAALKLAKEVAEKYPELKDACIAGGVAALVGGVAAGVAGLLGLAGEEAGPVGG

boltzgen_r1_s1_config_0

#55 Score: 0.326 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.4147
pTM0.61022
Design RMSD12.1075 Å
Min PAE6.16148
Designability
BoltzGen RMSD12.1075 Å
Min iPAE6.16148
ΔSASA1306.76367 Ų
Secondary Structure
Helix 79%Sheet 0%Loop 21%
Sequence (66 AA)
ALAVAAALAAALRAAVEIGAQTGNPVLAALIGFAAGLAAGEALIALGLEEAQLLLSKALGEAAGVS

boltzgen_r2_s1_strategy1_active_site_9

#56 Score: 0.300 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.34712
pTM0.61976
Design RMSD2.72001 Å
Min PAE10.06919
Designability
BoltzGen RMSD2.72001 Å
Min iPAE10.06919
H-bonds2.0
ΔSASA1927.11035 Ų
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (71 AA)
ALVVATTVLGFLGSGAGALAGFLARSLALAVAGAVAGALLAYLATVAATAVFGPDAGYRFGKAIGEAVGPT

boltzgen_r3_s2_strategy2_dimer_interface_14

#57 Score: 0.289 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.26998
pTM0.51792
Design RMSD2.20286 Å
Min PAE11.00797
Designability
BoltzGen RMSD2.20286 Å
Min iPAE11.00797
H-bonds1.0
ΔSASA1718.20996 Ų
Secondary Structure
Helix 57%Sheet 27%Loop 16%
Sequence (106 AA)
AGGAGAGAVAATPTLGVGAAVGVGTDGKDAASSISAAAYAAGLALGAGALAAGAAYGWGAAAAAGAAAGWALGGAIGGAAYTALVAHLQGKPGLAVGAGVGVGFAV

boltzgen_r3_s2_strategy2_dimer_interface_16

#58 Score: 0.278 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.3533
pTM0.56426
Design RMSD3.51158 Å
Min PAE9.26811
Designability
BoltzGen RMSD3.51158 Å
Min iPAE9.26811
H-bonds1.0
ΔSASA1359.25 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (91 AA)
GAKALAAGLELAAKYPGALGSAAAAAASGAAGGAAGAAAALAATGDPAAAAGAAFGGGAAAVVGSVFAALYAGLANSGVLVTVVGAAVVPG

boltzgen_r3_s2_strategy2_dimer_interface_08

#59 Score: 0.274 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.34888
pTM0.7987
Design RMSD13.30793 Å
Min PAE7.93006
Designability
BoltzGen RMSD13.30793 Å
Min iPAE7.93006
H-bonds2.0
ΔSASA1482.66797 Ų
Secondary Structure
Helix 58%Sheet 13%Loop 29%
Sequence (91 AA)
WAEVRHVIKTMLEAQIKAAEKAIEKLSKANGGSGTVVVLASIAGVQPDPLRPAYTAAKFGVVGFAESLNLACKLANSGVEVKVVLPGLIDV

boltzgen_r3_s2_strategy2_dimer_interface_10

#60 Score: 0.236 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.34081
pTM0.50852
Design RMSD8.14292 Å
Min PAE7.89172
Designability
BoltzGen RMSD8.14292 Å
Min iPAE7.89172
H-bonds1.0
ΔSASA1818.98145 Ų
Secondary Structure
Helix 43%Sheet 31%Loop 26%
Sequence (97 AA)
MGAAIVVGDVVGKTTDLGGKVVEVDARIAIAGAAAAAALAAAVARKYGGTGGGIGIGIDPDNPVLAAGLAAGGAAGAAALAGILKSGKIHVFIRPGR

boltzgen_r1_s3_config_8

#61 Score: 0.235 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.24837
pTM0.5112
Design RMSD3.13602 Å
Min PAE13.6425
Designability
BoltzGen RMSD3.13602 Å
Min iPAE13.6425
H-bonds2.0
ΔSASA2027.26855 Ų
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (99 AA)
IEAAANLAGAGAALGYALGSSGSLLGLLAGVVGGLLGGLLARVGGLAPALAAAFAAVAGAAAGAALAAGLRGDALARAAAVLASFLLSGLPGNDIPGLV

boltzgen_r2_s1_strategy1_active_site_3

#62 Score: 0.174 ? boltzgen Active Site R2
Hydrophobic Polar Positive Negative Gly
ipTM0.2267
pTM0.82477
Design RMSD11.78474 Å
Min PAE14.91786
Designability
BoltzGen RMSD11.78474 Å
Min iPAE14.91786
ΔSASA1241.04395 Ų
Secondary Structure
Helix 77%Sheet 0%Loop 23%
Sequence (73 AA)
KEKLLKKIDELLAKALAAVEAGDAEAVVAAAREIADIAARSRDLEVALKAGEAIGEICDAALAAGIEIPGVIS

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_0

#63 Score: 0.164 ? rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Validation (Boltz-2)
Val. ipTM0.2411082535982132
Val. pLDDT0.8328705430030823
Rg17.998157488557343 Å
Chain breaks0
Secondary Structure
Helix 86%Sheet 0%Loop 14%
Sequence (102 AA)
MKTLSAAAEALLNAAAAAAIDAGKAMIAGDFAAAIAALAAAAAAATAALAVTLGKPALAAALAAAGAATAANTLLAGLAAFANLIDNADAETKSILLNAAGL

boltzgen_r1_s1_config_9

#64 Score: 0.145 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.23724
pTM0.56931
Design RMSD11.69234 Å
Min PAE13.10551
Designability
BoltzGen RMSD11.69234 Å
Min iPAE13.10551
H-bonds4.0
ΔSASA1794.55078 Ų
Secondary Structure
Helix 73%Sheet 0%Loop 27%
Sequence (105 AA)
SAAGIALAGALAGLAAGSGVGGAAAGVAAGALGGATGDPLMAAAGAAGAAAAGGAGMGIALARGDKAGAAAAAAGAGLGVFIGNYLAGVGGGAKVDASTGLGGTT

boltzgen_r1_s3_config_5

#65 Score: 0.141 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.23581
pTM0.53885
Design RMSD12.64008 Å
Min PAE12.94798
Designability
BoltzGen RMSD12.64008 Å
Min iPAE12.94798
H-bonds3.0
ΔSASA1863.12988 Ų
Secondary Structure
Helix 62%Sheet 20%Loop 18%
Sequence (114 AA)
GVSAAAVAVAGAGAALGARAAAIAAAGAAAAGAEAGLPVLGAAMAAGAATGAAAGACAAVAALAAGTAADPEGILRAIRGGAIAGEEAVKTGSAVGVVAVAASAATAAAGGVGG

boltzgen_r1_s1_config_5

#66 Score: 0.137 ? boltzgen Active Site R1
Hydrophobic Polar Positive Negative Gly
ipTM0.2333
pTM0.51139
Design RMSD11.77609 Å
Min PAE12.84727
Designability
BoltzGen RMSD11.77609 Å
Min iPAE12.84727
H-bonds1.0
ΔSASA1574.77344 Ų
Secondary Structure
Helix 70%Sheet 0%Loop 30%
Sequence (67 AA)
ALALGVAGGAAAAALAIKVGKESGIPGGEEVAAAAGVAALAGGIAAGAAGLLGKIVANGDTVPGNTS

boltzgen_r1_s2_config_8

#67 Score: 0.135 ? boltzgen Dimer Interface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.24136
pTM0.47734
Design RMSD5.77303 Å
Min PAE12.58521
Designability
BoltzGen RMSD5.77303 Å
Min iPAE12.58521
H-bonds4.0
ΔSASA2311.95605 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (97 AA)
SPALAGALAAAAAGLAGLGAAAAAIGVVGGVGGAAGDPVAAAAGGAAVGAAASAAKAAALRGDAERAAAAAAGAAAAVLGGGSMIPPVGDEDIGGVN

boltzgen_r1_s3_config_9

#68 Score: 0.124 ? boltzgen Surface R1
Hydrophobic Polar Positive Negative Gly
ipTM0.21015
pTM0.46372
Design RMSD9.92313 Å
Min PAE13.87166
Designability
BoltzGen RMSD9.92313 Å
Min iPAE13.87166
H-bonds2.0
ΔSASA1282.5498 Ų
Secondary Structure
Helix 76%Sheet 0%Loop 24%
Sequence (62 AA)
LALGIAAGAAAGAGAAAVAAESKNPAIGAAAAAGAAAGALAGGVAGEIARLLGIGGPGNSGD

boltzgen_r3_s2_strategy2_dimer_interface_19

#69 Score: 0.121 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.21249
pTM0.44019
Design RMSD8.97037 Å
Min PAE15.55702
Designability
BoltzGen RMSD8.97037 Å
Min iPAE15.55702
H-bonds1.0
ΔSASA1256.3418 Ų
Secondary Structure
Helix 66%Sheet 8%Loop 25%
Sequence (95 AA)
AAVVASGGGSGAGGAAARLAAAVGEEHGAPALGAAAGAAAAAGASASVWVLAGGDPAAATAAILAGIQTAALGGLAGVVTGSGVGVAAGGGAVAG

boltzgen_r3_s2_strategy2_dimer_interface_18

#70 Score: 0.115 ? boltzgen Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
ipTM0.22361
pTM0.36397
Design RMSD8.20344 Å
Min PAE12.36007
Designability
BoltzGen RMSD8.20344 Å
Min iPAE12.36007
H-bonds3.0
ΔSASA2121.61328 Ų
Secondary Structure
Helix 43%Sheet 24%Loop 33%
Sequence (107 AA)
AAGLGVATGVVGGTLFGIEIPLETLAGAVAAGARGAAEVAARYGGKGGIGGAGGAGASPRPPTADEPALAAGGAVGGVAGGAALAAITKSGIGVAPGAGEGEHVVVA

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_0

#71 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg12.76358326293584 Å
Chain breaks0
Secondary Structure
Helix 82%Sheet 6%Loop 12%
Sequence (65 AA)
SVSKAPISSATFLANLATKPVSALKTLLASLKSAIAIASATNDSGTLATASKLLSLISSALAAKA

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_1

#72 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg12.147275125666912 Å
Chain breaks0
Secondary Structure
Helix 83%Sheet 0%Loop 17%
Sequence (65 AA)
INIATALILGLIDLINILIESSKTSPAADTISLLESILANSAIAATIVPIAAIVAIAAANLLSAL

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_2

#73 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg15.6725983427192 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (65 AA)
AALAAKATAAFDTAVALIAAAKALEAAGAPAAIIDAVKAAADAALAAAEAYGAALAELIAQALLA

rfd3_r2_s1_rfd3_pgdh_binder_pgdh_active_site_0_model_3

#74 rfdiffusion3 Active Site R2
Hydrophobic Polar Positive Negative Gly
Rg12.224622457614373 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (65 AA)
AAALKTAADKLTIGAAVLLTEGDAAAAADAIAYFSAKFSLSTAEVNTAAANGTALAADLLAAASL

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_0

#75 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg13.590273611497377 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (111 AA)
AAALAALLAAAAALATSSDIAAKTTAIATCLTVISDAIVTLVASTDAATQAAAVAAIAAAAAILAATNNPAALSAAAVVLSAAATLLTLAGKSAAVAAALAALATAIAQTA

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_1

#76 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg14.396492260297892 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (111 AA)
AAAALAALAALLAAALALAATGTPAAEIAAGVLLSAALLLAALICDAAVGTAAAASDAATAASLLALTVATFIALGNATGAVANGDVATAAALAAAALALLAAIIAAAAAV

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_2

#77 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg13.27665430846444 Å
Chain breaks0
Secondary Structure
Helix 86%Sheet 0%Loop 14%
Sequence (111 AA)
MTGADVLALTQAVLTGVAAAIAAKDVAAAAAIVLAAAALVAAAAANPATPAAAIAALLLTLIAAVAITIAGLAAIGAAAEALAIVAAIADTLASVSANLAAFIAALGAALL

rfd3_r2_s2_rfd3_pgdh_binder_pgdh_dimer_interface_0_model_3

#78 rfdiffusion3 Dimer Interface R2
Hydrophobic Polar Positive Negative Gly
Rg13.311465038330837 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (111 AA)
TAAAIAAIKAAIDAGAAEAAVNAAAQAVISLGLAGLLDAAVAVANAVVAYAIASVTSAASAAIALGAIAATCAALPACALALGASVAAAIALASAQVAILCAAAKAILEKI

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_0

#79 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.319577777192222 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (104 AA)
NALAAAIALAAAAIAAVAQGDLAAAIALVAAAVALAFNASADVAAAAVLALNLATNTIAAATALLIAQGQVDAAKAFLAAATIAVALAIAAALSALAAADPTLV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_1

#80 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.524660415628414 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (104 AA)
GAAAVVAALAALVAAIIALAALSADPAAIAALTTALTNLVTAIAVAAVAVSSDPAAALALATATLTAVANLAAAVAQSNVAAAAAAGAALLALAAALAALVAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_10

#81 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.460449294345102 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (104 AA)
LTAAAAALTGAAIAAAVALLAAAAAGIDAALVAVAIATAVATAVTALENSVAATGAITVAGLAAATVAALAALAAVLGCAGNAAAAAALLALAVATVAAVLAIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_11

#82 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.22484317176318 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (104 AA)
AALAAAAAAAAVAAAAAAVAAAAAGDAKAALAAATTALALLALAGELAGAAAVAVAAVTAAAVLIGKAAGAAAAGDTATATALMALVAAVLAGAAAAILAAAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_12

#83 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.480662472379946 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (104 AA)
MAAFLAAVAALAAAAVAAALAGNATAASLALQALTLVIALALPALALLAANGSAAAAAAIAAAAAILAATAAACAAAGLAACAAVALTAAAVLGIAAAIAAAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_13

#84 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.860838114548072 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (104 AA)
MAALAAGLAAIVANAAAAIAAAAAGDTAAAAANALAALLLIAQTLAAAKAALAKLSTAAQAAVLAALAAITVKLAAAAGAALAGNLAKAAANQAALAAAAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_14

#85 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.714287048539274 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (104 AA)
VAAAAAALLAAAAAALAAGDVAAAAAALTALAEGCIGLLAAGDLASALAIATAALPLALALAATGNPAAAGAAGQLIGLAAAALYALGQKDAALALVSAAAAAL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_15

#86 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.506507428507847 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (104 AA)
MAALKAAALATLTAIGAKLVAAAAADQQAAAAALVAALVAAAAAALDALAAGDFAAALAELAAAITAACDLLALASSNVAAASAALVTALDVIAASIAALGKLI

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_2

#87 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.790763409578776 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (104 AA)
VAAATAAVTALTDAAAAAIDANDIAALEAQTLALLNLLVDLVHLAAAAFADDPAAVTAVLNLVVAAILATVAAVAAAAIGDTAAAKANLAAASAAAKAIIALAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_3

#88 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.655143595349772 Å
Chain breaks0
Secondary Structure
Helix 91%Sheet 0%Loop 9%
Sequence (104 AA)
LAAAAAALLAAGLALAAAALNSTDLATAIALATAAAALLGAALGLAIAAQDTALANAAAAAAAAVIAAATKKLLELGASEATVKATIEALVLAFASAAAAVALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_4

#89 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.350991636307043 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (104 AA)
AAALAALAAVVLAAAAAAAAALAAAGQALAALVTAIAGAQLAGAIAAGNAVLALAYGTALAALLAVAGLSAAAAAIAAATLAAAAINADAVAAAAAADVLAFVL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_5

#90 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.430525691850736 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (104 AA)
AAAVAAAVAAALADPSPVVALQGITEVNTTVLLLALAGAAAAAAAAVAAASAALAAAAASASAAVRTLAVAGLLAAAAAAALAGDAAAAAALLAAAQAAAATVA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_6

#91 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.337364910892708 Å
Chain breaks0
Secondary Structure
Helix 87%Sheet 0%Loop 13%
Sequence (104 AA)
AAAARDAVLAALAATAAAFAAALSAAALALIVAAIQAVADGAGADAAAGAACALAAAAVVAAALGDAAGAAAAAALAAAAAAAAAALGAADLAAAAAAAVAAIT

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_7

#92 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.739789973235107 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (104 AA)
TAALAAAAVAAAVAGDVAGASDALVAVLAASSDSVLAKALLAVDIVTAATVAAVLAGSAAAIPAIALVLAAAVAVAVLSAIGDAALAAAVRDYCVAQAAAILAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_8

#93 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.51848311095322 Å
Chain breaks0
Secondary Structure
Helix 91%Sheet 0%Loop 9%
Sequence (104 AA)
ALAALLTLLACALAAALVLAVGLGLADAAAALAATLIAVLAAAAALLTAAAGLAGVQALATAVTAALAAGAALALTLPTAAAQAVLAALSALAAVLAAAAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_0_model_9

#94 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.573648080354543 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (104 AA)
NAAKLIAFGLVVAAALIAAALLSTINLVAGTIAASLVALIVALALPSILATAVDLGVSPASALAAATAIAVLTAVAAAAAALGKAAVAIAAAVALAATIIALAV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_0

#95 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg12.645460370732598 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (107 AA)
TAAAIAALQAALAAALAGDLATALALATAAVQTAAAAVGAAAAVLLVIEFGAHLTKAVVAASSDPVAALKAAAAVAAAAAAAAGALAAGASAATAAAIAATVYAAIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_1

#96 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.222376697247007 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (107 AA)
SAAATLAAIAALLAAAIAAAAAGDLVTAAVTASAALLLTNSTLVALTAAAKSLSIASVLSVMNLIVATIIATAAAVGAVAQNDLASAAAAAAAALAATAAAIALVAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_10

#97 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.210787646208432 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
LGAAFQAAVLSAVAAVANGNAAAAAAAANTALALVASISALSVAAALALTQTLLALAVALALAGETASAVALLNAAVALAAKAAAAAPDSALAKAVLLSANLLLAFV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_11

#98 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.743341329317769 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (107 AA)
TAAALVALAAAAVAAAALAAASTDPAVVAALLALIALLVAAILLLLAAAGLSPEATGTAIASIAALALLAAITAAIAAGQSLAAIAALVTATAIALALGIAVGLLAV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_12

#99 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.164872906716168 Å
Chain breaks0
Secondary Structure
Helix 93%Sheet 0%Loop 7%
Sequence (107 AA)
MAAAIAAATSAVLEASVAAILAAAAASDIVAAQAAALALLLILAEAIKAILQLLPQEPAVVAAALSLAVAAITATVAAAAAALLGQFAAANAAAAAAVACLDALAAL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_13

#100 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.274161290292184 Å
Chain breaks0
Secondary Structure
Helix 91%Sheet 0%Loop 9%
Sequence (107 AA)
AATAAAIAANDFATISLLTATAVGAAAVAFALAGSPDAAVATAILGAVAIATILSLIANDTLSAATTALLLAVVLAGLAALAALAAGNLDAAVAAAATVVALLASLL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_14

#101 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.612295692585084 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (107 AA)
ALAAIAAAASAIVAAALLALAKDDPLLLVNATAIALAHAACLAAAILVTAYVAQYNPAAVPAVAATLTAIAAAVLVSAAAALGNPTAAAIIAAVSTATAIAVVLVLS

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_15

#102 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.967761203431422 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
AAAVALVLAICLLIGLAVGVQTALGLAGAALDQKLVIDSAALLAAAVTLAVALNVAEPALIGIIFGDAAAAAAPAALAVAKLPGGAAALTAIAKSLLAAAASLLAAL

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_2

#103 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.118256267916864 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
TATVLSLVAIAVAIAAAIALASILSPAETAAAVVALAANLAFSLALAAVAAQLLSAAEAAALAAVAAAAASVVAAAVINAISYGISDCVPIGIAGAAIVLAAAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_3

#104 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.363608016878137 Å
Chain breaks0
Secondary Structure
Helix 90%Sheet 0%Loop 10%
Sequence (107 AA)
AAAAVAAVLALVALADATGNPALTTAACTALVEAVAAFIKDKQFDSAIAVASAVLAACSAIVALNPTSTTAIAAAAVATANLAVALYAAGKKEAALAAVASGVAAIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_4

#105 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.819878413047997 Å
Chain breaks0
Secondary Structure
Helix 94%Sheet 0%Loop 6%
Sequence (107 AA)
AAAAAAKALIAAAKAALAAGDAAAAVAACLALLAAANDLAVTVAALAASKGNAAAALTVVDLTAAAAAACGKAAAAAAAGDAAAAAAALDAAAAALDALTAIAAALA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_5

#106 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.658110538499825 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (107 AA)
MAAVAAACATAIAITAALAALIAASTNVAAAQLIALLANVVIPVNLVALIASYPSAAAAALVAAALAACAAILAAAAAASSNPVAKALLSAAALVLAASAALAAQIA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_6

#107 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.778324941857148 Å
Chain breaks0
Secondary Structure
Helix 81%Sheet 0%Loop 19%
Sequence (107 AA)
AFAAALPQLSAATAAAVATIAAAATAAIIAAALAGDAAGVLAAAVAGVKALAAIAATASDPVTVLALSAAAAAIAALGATTALLLAAGVDPVTAVAAAIILAAAAAA

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_7

#108 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.492396709408055 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (107 AA)
LALAAALLAAAAALIAAAATLSGAAKAAALSAAVAVLTTLIDEATKTILNPNATAAQKAAAAATLAACAALAAAIAAIDPTGAGAGTAVLTTLAACLSLTAQALAAQ

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_8

#109 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg14.558536194694446 Å
Chain breaks0
Secondary Structure
Helix 92%Sheet 0%Loop 8%
Sequence (107 AA)
LANVVATFTATVTTLTAVIIALVAAANATPAAAVPLLTAANATAGVLVEVIVEATSALLNLATSEAQVLQVMTAAILALLAVAYAVAGALDKAASALANAIATALNV

rfd3_r3_s2_rfd3_r3_dimer_scaled_pgdh_dimer_r3_1_model_9

#110 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg13.065509200294859 Å
Chain breaks0
Secondary Structure
Helix 89%Sheet 0%Loop 11%
Sequence (107 AA)
LAALAAIAAIDPAAGALLAAGVALLLAALASTDVATLIALAVLSALALGAAAGLASTAAAFAAAAALAAAAIATATIAAVLAGGAAAAKTLVAAATLAFAAGVVAGA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t12_0_model_3

#111 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg17.49313267281208 Å
Chain breaks0
Secondary Structure
Helix 70%Sheet 5%Loop 25%
Sequence (102 AA)
NINPGGKVVAAAAASNGGAGTDEAALQAALTALLTAADLATVEAAVAAVSAKLPSLYDPLLAAAATEALAYALALLKSDLKAAELNLQNLLATISAYLASKA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_0

#112 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg19.163322182182558 Å
Chain breaks0
Secondary Structure
Helix 75%Sheet 4%Loop 21%
Sequence (102 AA)
LVASSIAAPAVALNAANKALVDAILAAAAPLEAILLAIIDLLAPIGAAIFAAAVTALGQAKAKNVLVPIVKALATIAGKLCVEKGALLAGIALAVAAGALGA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_1

#113 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg17.376320931635977 Å
Chain breaks0
Secondary Structure
Helix 81%Sheet 9%Loop 10%
Sequence (102 AA)
MALPASPLSGGSADDMAAAAVATVTDAAKEAALAAIPAVTATLSALAAAAAATSAVHAILAAAALIATLGGLASVATGNAAIALAAVEIAAEVVKAAVSALL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_2

#114 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg18.51210897245778 Å
Chain breaks0
Secondary Structure
Helix 80%Sheet 0%Loop 20%
Sequence (102 AA)
ALSAAVNAATVAAVAAALPAIKAQAEAADAVAAGAVAVAAAAAALAARLAALGAAAAAAAVAAAGANTALAIPAIAAATLAELANAPAPIPASQIPIIAPAA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_0_t8_0_model_3

#115 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg19.911540227563528 Å
Chain breaks0
Secondary Structure
Helix 82%Sheet 5%Loop 13%
Sequence (102 AA)
EKSAAIAAAINAITAAMKPAIKAALDKADTAALAAAGAALGAAAAIALAALLGASAAQIAALALLSANTVAAILYAAQTTSIPACTPTAAQKANIAAYNEQL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_0

#116 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg20.941971263710595 Å
Chain breaks0
Secondary Structure
Helix 79%Sheet 0%Loop 21%
Sequence (105 AA)
MLAALQAAADALVAALKAAIKAALATLSPAAAAVAAAALGAAFYAALKAAILAVAAAAGIPTPAVAAPPAKSYAVDAALAAALKPAVAAALAEAKAKLDAELAAL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_1

#117 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg17.37720069858498 Å
Chain breaks0
Secondary Structure
Helix 54%Sheet 9%Loop 37%
Sequence (105 AA)
MGGGGGGGGGLGAAAPGMLGGVTSPLYATLNASLTIPASAPALPTTATSAAEFANAVAADLILAAALAAALLAATPAEGQAAAAAAAATLLANLAAIAADLLNAV

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_2

#118 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg18.99022195693482 Å
Chain breaks0
Secondary Structure
Helix 88%Sheet 0%Loop 12%
Sequence (105 AA)
MAAVIDAIIAAAKAAAAASQQKDAAALNTALGAVAALAALSVAIVLSEKGVAVDLNLLTKIAINSGLSTIDAANTVLAELNAITYDPNKLAKAAAAANAALAAAK

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t12_0_model_3

#119 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg18.826994116301755 Å
Chain breaks0
Secondary Structure
Helix 70%Sheet 5%Loop 25%
Sequence (105 AA)
IAGGGAGGGGGAPGLAGPIPAELKAAFLAAFAAASAAVAALLAQAAAAAAANGQAAKAAILAAAIAALAALTAALISGALDPVLAELNSPPLPNAELAAKANAAL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_0

#120 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg20.785582992311213 Å
Chain breaks0
Secondary Structure
Helix 78%Sheet 0%Loop 22%
Sequence (105 AA)
VAAAAATLAAAAAALVAVLTAVAAAAAATGAPLAADLAVLAAVQLLTVATAAALAAAAGAAVPAASNVVTAPTLLPAAELAALNAATKAFIAAHGDATLAAIAAL

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_1

#121 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg21.722918792362854 Å
Chain breaks0
Secondary Structure
Helix 58%Sheet 4%Loop 38%
Sequence (105 AA)
LPAVKATALAAAPAPPPTPIPIPPIQPPVLLADDSVIQDINAILKNSPFYATSVAAGAIAQNGAAAIAAASAAAIVLLGMSIAEALDLTLALVAALAAAIKAVLD

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_2

#122 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg16.603587288300982 Å
Chain breaks1
Secondary Structure
Helix 72%Sheet 6%Loop 22%
Sequence (105 AA)
AAKAGAGAILNAGGGPAGTDPVASAALMGIPLSIVAASLALISIAATLATFAQSLAAVAALAAAAAAAVALLIGAAIGNPAFGAKAAAAILAASAALIADLLAAA

rfd3_r3_s2_rfd3_r3_partial_diffusion_partial_diff_r2s2_8_t8_0_model_3

#123 rfdiffusion3 Dimer Interface R3
Hydrophobic Polar Positive Negative Gly
Rg16.273876578335287 Å
Chain breaks0
Secondary Structure
Helix 72%Sheet 0%Loop 28%
Sequence (105 AA)
AFTAAEAEAFGGVNGPADAELLLPASLVAATAAAIALAAALLTPAVAVITLSNNAALKAAAIAAAAAAAIAAVAPYINDPSAVGALAAACAAVLATAAGLLAAAI
“Information is information, not matter or energy. No materialism which does not admit this can survive at the present day.”— Norbert Wiener, Cybernetics
#▲Design ID▲Tool▲Strategy▲Round▲Score▲Design ipTM▲Design pTM▲Design RMSD▲Design PAE▲Refold RMSD (BZG)▲Refold pLDDT (BZG)▲Refold ipTM (BZG)▲Xval ipTM (BZ2+MSA)▲Xval pLDDT (BZ2+MSA)▲Min iPAE▲pDockQ▲Length▲Status▲
“The organism is not the environment of the genome: it is the genome’s way of making more genomes.”— Richard Dawkins, The Extended Phenotype
“The essence of technology is by no means anything technological.”— Martin Heidegger, The Question Concerning Technology

Binding Strategies

3 strategies
Strategies Overview
Active Site 27 designs

Target the NAD+-binding active site pocket.

Binder length: 40–80 AA

Ser138 Gln148 Tyr151 Lys155 Phe185 Tyr217
Dimer Interface 86 designs

Disrupt the homodimer contact surface.

Binder length: 90–120 AA

Ala146 Ala153 Phe161 Leu167 Ala168 Leu171 Met172 Tyr206
Surface 10 designs

No specified hotspots — BoltzGen auto-detects binding site.

Binder length: 60–140 AA

Auto-detected
“Every living being is also a cognitive system, and living as a process is a process of cognition.”— Humberto Maturana & Francisco Varela, Autopoiesis and Cognition

15-PGDH Target (2GDZ)

Reference
Hotspots
Active Site (Red)Ser138, Gln148, Tyr151, Lys155, Phe185, Tyr217
Dimer Interface (Blue)Ala146, Ala153, Phe161, Leu167, Ala168, Tyr206
“The point is not to judge but to understand what molecules are capable of when they are not defined by what we already know.”— Claude (falsely attributed to Isabelle Stengers)

// Design Pipeline //

> binding emerges from the machinic assemblage — agents design, evaluate, iterate

next round
GPU
Design
BoltzGen + RFdiffusion3 generate binder candidates on Lyceum GPUs.
BoltzGenRFdiffusion3Lyceum
GPU
Evaluate
Refold, Boltz-2 cross-validation, ipSAE interface scoring.
BoltzGen foldBoltz-2+MSAipSAE
AI
Analyse
Compare strategies, propose changes for next round.
/propose-designscomposite score
CPU
Publish
Rank designs, regenerate this site, push to GitHub Pages.
generate_pages.pygit push