A0A096NAA4_PAPAN Loading...

Dynein light chain roadblock

Acts as one of several non-catalytic accessory components of the cytoplasmic dynein 1 complex that are thought to be involved in linking dynein to cargos and to adapter proteins that regulate dynein function. Cytoplasmic dynein 1 acts as a motor for the intracellular retrograde motility of vesicles and organelles along microtubules.

AlphaFold DB (Q8TF09), UniProt , Accession A0A096NAA4, Species PAPAN (Papio anubis, Olive baboon), Gene DYNLRB2, Length 96 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.5Low89.5Confident169 Ų169100.7 Ų100.783%0.83350%0.503SS*.  0-63.30-79.4-80.1-176.300110.6E3 V4 E5M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.95Å; M1-V4 PolarHBondContact O-N 2.71Å; M1-E5 PolarHBondContact O-N 2.96Å
2A82.4Confident90Very high76 Ų7698.4 Ų98.463%0.62849%0.489SS*.Hα-helixtrans-53.2-44.4-178.200000114.4V4 E5 E6A2-V4 PolarHBondContact O-N 2.84Å; A2-E5 PolarHBondContact O-N 3.41Å; A2-E6 WeakPolarHBondContact O-CB 3.48Å; A2-E6 PolarHBondContact O-N 2.86Å
3E89.6Confident90.5Very high150 Ų15098.2 Ų98.270%0.70150%0.503SS*.Hα-helixtrans-64.2-37.8-178.6-173.7-179.2-173.600113.9M1 E6 T7M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.95Å; E3-E6 PolarHBondContact O-N 3.17Å; E3-T7 WeakPolarHBondContact O-CB 3.4Å; E3-T7 PolarHBondContact O-N 3.2Å; E3-T7 PolarHBondContact O-OG1 2.79Å
4V87.4Confident90.9Very high85 Ų8598.6 Ų98.652%0.51550%0.501SS..Hα-helixtrans-67-43.8177.71770000110M1 A2 T7 L8M1-V4 PolarHBondContact O-N 2.71Å; A2-V4 PolarHBondContact O-N 2.84Å; V4-T7 PolarHBondContact O-N 2.99Å; V4-L8 HydrophobicContact CG1-CD1 4.14Å; V4-L8 HydrophobicContact CG1-CG 4.46Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 WeakPolarHBondContact O-CG 3.34Å; V4-L8 PolarHBondContact O-N 3.09Å
5E88.8Confident91.2Very high92 Ų92102.1 Ų102.143%0.4351%0.512SS..Hα-helixtrans-65.8-40.3177.7-69.7-178.4-176.200112M1 A2 T7 L8 K9M1-E5 PolarHBondContact O-N 2.96Å; A2-E5 PolarHBondContact O-N 3.41Å; E5-T7 VanDerWaalsContact C-N 3.34Å; E5-L8 PolarHBondContact O-N 3.05Å; E5-K9 VanDerWaalsContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CB 3.35Å; E5-K9 VanDerWaalsContact O-CG 3.27Å; E5-K9 WeakPolarHBondContact O-CG 3.34Å; E5-K9 PolarHBondContact O-N 2.86Å
6E94.4Very high91.5Very high142 Ų14296.6 Ų96.666%0.66449%0.489SS*.Hα-helixtrans-62.1-43.4174.5-173.4176.6179.900111.3A2 E3 K9 R10A2-E6 WeakPolarHBondContact O-CB 3.48Å; A2-E6 PolarHBondContact O-N 2.86Å; E3-E6 PolarHBondContact O-N 3.17Å; E6-K9 PolarHBondContact O-N 3Å; E6-R10 WeakPolarHBondContact O-CB 3.49Å; E6-R10 PolarHBondContact O-N 2.93Å
7T94.1Very high91.8Very high52 Ų5292.2 Ų92.232%0.31947%0.468SS..Hα-helixtrans-64.3-45.3176.9-61.30000111.7E3 V4 E5 R10 I11E3-T7 WeakPolarHBondContact O-CB 3.4Å; E3-T7 PolarHBondContact O-N 3.2Å; E3-T7 PolarHBondContact O-OG1 2.79Å; V4-T7 PolarHBondContact O-N 2.99Å; E5-T7 VanDerWaalsContact C-N 3.34Å; T7-R10 PolarHBondContact O-N 3.13Å; T7-I11 HydrophobicContact CG2-CD1 4.28Å; T7-I11 WeakPolarHBondContact O-CG1 3.38Å; T7-I11 PolarHBondContact O-N 3.46Å
8L94.9Very high92Very high17 Ų1792.1 Ų92.19%0.08947%0.467CS..Hα-helixtrans-63.9-41.9176.5-72.3176.5000111.6V4 E5 R10 I11 Q12 V22 R31 L88V4-L8 HydrophobicContact CG1-CD1 4.14Å; V4-L8 HydrophobicContact CG1-CG 4.46Å; V4-L8 WeakPolarHBondContact O-CB 3.44Å; V4-L8 WeakPolarHBondContact O-CG 3.34Å; V4-L8 PolarHBondContact O-N 3.09Å; E5-L8 PolarHBondContact O-N 3.05Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 3.36Å; L8-I11 PolarHBondContact O-N 3.35Å; L8-Q12 WeakPolarHBondContact O-CB 3.45Å; L8-Q12 WeakPolarHBondContact O-CG 3.44Å; L8-Q12 PolarHBondContact O-N 3.35Å; L8-V22 HydrophobicContact CD1-CG2 4.2Å; L8-V22 HydrophobicContact CD2-CG2 4.07Å; L8-R31 HydrophobicContact CD1-CB 4.34Å; L8-L88 HydrophobicContact CD2-CD1 3.97Å
9K95.4Very high92.3Very high137 Ų13787.3 Ų87.360%0.59644%0.443SS*.Hα-helixtrans-60.4-42.4173.8-79.5177.4179.5176.40111.8E5 E6 I11 Q12 S13E5-K9 VanDerWaalsContact O-CB 3.31Å; E5-K9 WeakPolarHBondContact O-CB 3.35Å; E5-K9 VanDerWaalsContact O-CG 3.27Å; E5-K9 WeakPolarHBondContact O-CG 3.34Å; E5-K9 PolarHBondContact O-N 2.86Å; E6-K9 PolarHBondContact O-N 3Å; K9-I11 VanDerWaalsContact C-N 3.33Å; K9-I11 PolarHBondContact O-N 2.87Å; K9-Q12 PolarHBondContact O-N 3.35Å; K9-S13 PolarHBondContact O-N 3.36Å
10R96.8Very high92.6Very high155 Ų15583.1 Ų83.159%0.58542%0.422SS*.Hα-helixtrans-62.1-40.2175.2-177.1173.263.7107.2-1.3111.6E6 T7 L8 S13 H14E6-R10 WeakPolarHBondContact O-CB 3.49Å; E6-R10 PolarHBondContact O-N 2.93Å; T7-R10 PolarHBondContact O-N 3.13Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 3.36Å; R10-S13 PolarHBondContact O-N 3.23Å; R10-S13 PolarHBondContact O-OG 3.16Å; R10-H14 PolarHBondContact O-CE1 3.44Å; R10-H14 PolarHBondContact O-ND1 3.06Å
11I96.8Very high92.8Very high33 Ų3379.2 Ų79.217%0.16940%0.403CS..Hα-helixtrans-64.1-47.9174-66.3165.4000109.9T7 L8 K9 S13 H14 V17 T20 L88 V90T7-I11 HydrophobicContact CG2-CD1 4.28Å; T7-I11 WeakPolarHBondContact O-CG1 3.38Å; T7-I11 PolarHBondContact O-N 3.46Å; L8-I11 PolarHBondContact O-N 3.35Å; K9-I11 VanDerWaalsContact C-N 3.33Å; K9-I11 PolarHBondContact O-N 2.87Å; I11-S13 PolarHBondContact O-N 3.25Å; I11-H14 WeakPolarHBondContact O-CB 3.49Å; I11-H14 PolarHBondContact O-N 3.23Å; I11-H14 PolarHBondContact O-ND1 3.46Å; I11-V17 WeakPolarHBondContact O-CG2 3.29Å; I11-T20 HydrophobicContact CB-CG2 4.38Å; I11-T20 HydrophobicContact CG2-CG2 3.69Å; I11-L88 HydrophobicContact CD1-CD2 4.18Å; I11-V90 HydrophobicContact CG2-CG1 4.18Å; I11-V90 HydrophobicContact CG2-CG2 3.92Å
12Q96.3Very high94.4Very high73 Ų7372.1 Ų72.134%0.34137%0.369SS..Hα-helixtrans-60.2-29.3179.1-69.7163.129.300113.3L8 K9 H14 T20 T33L8-Q12 WeakPolarHBondContact O-CB 3.45Å; L8-Q12 WeakPolarHBondContact O-CG 3.44Å; L8-Q12 PolarHBondContact O-N 3.35Å; K9-Q12 PolarHBondContact O-N 3.35Å; Q12-H14 PolarHBondContact O-N 2.82Å; Q12-T20 HydrophobicContact CG-CG2 3.77Å; Q12-T20 PolarHBondContact NE2-OG1 2.99Å; Q12-T33 VanDerWaalsContact CD-CG2 3.47Å; Q12-T33 HydrophobicContact CG-CG2 4.22Å
13S96.2Very high95.1Very high95 Ų9568.5 Ų68.566%0.66434%0.339SS*.THydrogen-bonded Turntrans-76.1-5.8177.468.90000114K9 R10 I11K9-S13 PolarHBondContact O-N 3.36Å; R10-S13 PolarHBondContact O-N 3.23Å; R10-S13 PolarHBondContact O-OG 3.16Å; I11-S13 PolarHBondContact O-N 3.25Å
14H96.3Very high95.4Very high104 Ų10462.8 Ų62.848%0.48131%0.313SS..SBendtrans-73136.2175.1-73.472.6000110.7R10 I11 Q12 G16 V17R10-H14 PolarHBondContact O-CE1 3.44Å; R10-H14 PolarHBondContact O-ND1 3.06Å; I11-H14 WeakPolarHBondContact O-CB 3.49Å; I11-H14 PolarHBondContact O-N 3.23Å; I11-H14 PolarHBondContact O-ND1 3.46Å; Q12-H14 PolarHBondContact O-N 2.82Å; H14-G16 PolarHBondContact O-N 3.12Å; H14-V17 HydrophobicContact CB-CG2 3.82Å; H14-V17 WeakPolarHBondContact O-CB 3.37Å; H14-V17 PolarHBondContact O-N 3.15Å; H14-V17 VanDerWaalsContact O-N 3.08Å
15K94.6Very high95.7Very high152 Ų15261.2 Ų61.266%0.66131%0.309SS*.THydrogen-bonded Turntrans-54.2135.5176.9-169.1179.4-177.8-98.80110.3V17 E96K15-V17 VanDerWaalsContact C-N 3.26Å; K15-V17 PolarHBondContact O-N 3.17Å; K15-E96 WeakPolarHBondContact CE-OE2 3.1Å; K15-E96 PolarHBondContact NZ-O 3.09Å; K15-E96 IonicContact NZ-OE2 2.66Å; K15-E96 PolarHBondContact NZ-OE2 2.66Å
16G95.7Very high95.8Very high14 Ų1463.2 Ų63.214%0.14432%0.318CS..THydrogen-bonded Turntrans82.2-13.3-179.400000114.9H14 I18 Q92 N93H14-G16 PolarHBondContact O-N 3.12Å; G16-I18 PolarHBondContact O-N 3.05Å; G16-Q92 CarbonylContact O-C 3.44Å; G16-Q92 WeakPolarHBondContact O-CA 3.43Å; G16-Q92 WeakPolarHBondContact O-CB 3.12Å; G16-N93 PolarHBondContact O-N 3.18Å
17V97.4Very high95.8Very high22 Ų2257.1 Ų57.113%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-69.1119.4173177.60000109.6I11 H14 K15 T20 V90 Q92I11-V17 WeakPolarHBondContact O-CG2 3.29Å; H14-V17 HydrophobicContact CB-CG2 3.82Å; H14-V17 WeakPolarHBondContact O-CB 3.37Å; H14-V17 PolarHBondContact O-N 3.15Å; H14-V17 VanDerWaalsContact O-N 3.08Å; K15-V17 VanDerWaalsContact C-N 3.26Å; K15-V17 PolarHBondContact O-N 3.17Å; V17-T20 HydrophobicContact CG1-CG2 4.09Å; V17-V90 HydrophobicContact CG1-CG1 4.02Å; V17-V90 HydrophobicContact CG2-CG1 4.06Å; V17-Q92 HydrophobicContact CG2-CG 3.97Å; V17-Q92 VanDerWaalsContact CG2-NE2 3.35Å
18I96.1Very high95.9Very high90 Ų9059.4 Ų59.446%0.46230%0.303SS..EExtended strand (participates in β ladder)trans-105.8-19.1178.564.6169.4000112.4G16 H76 I91 N93G16-I18 PolarHBondContact O-N 3.05Å; I18-H76 VanDerWaalsContact CD1-CD2 3.49Å; I18-H76 WeakPolarHBondContact CD1-CD2 3.31Å; I18-I91 HydrophobicContact CD1-CB 4.46Å; I18-I91 HydrophobicContact CD1-CG2 3.64Å; I18-I91 HydrophobicContact CG1-CB 3.96Å; I18-I91 HydrophobicContact CG1-CG2 3.66Å; I18-I91 VanDerWaalsContact CG1-O 3.28Å; I18-I91 WeakPolarHBondContact CG1-O 3.49Å; I18-I91 PolarHBondContact N-O 2.85Å; I18-N93 HydrophobicContact CG2-CB 4.39Å
19G97Very high96Very high1 Ų160.7 Ų60.71%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-166153.3177.200000114.1T33 I91G19-T33 VanDerWaalsContact CA-OG1 3.31Å; G19-T33 WeakPolarHBondContact CA-OG1 3.41Å; G19-I91 PolarHBondContact N-O 3.28Å; G19-I91 VanDerWaalsContact N-O 3.15Å; G19-I91 PolarHBondContact O-N 3.41Å
20T97.7Very high96Very high3 Ų358.2 Ų58.22%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-130.9149.1173.657.80000109.8I11 Q12 V17 T32 T33 I89 V90I11-T20 HydrophobicContact CB-CG2 4.38Å; I11-T20 HydrophobicContact CG2-CG2 3.69Å; Q12-T20 HydrophobicContact CG-CG2 3.77Å; Q12-T20 PolarHBondContact NE2-OG1 2.99Å; V17-T20 HydrophobicContact CG1-CG2 4.09Å; T20-T32 CarbonylContact O-C 3.59Å; T20-T32 VanDerWaalsContact O-CA 3.31Å; T20-T32 WeakPolarHBondContact O-CA 3.41Å; T20-T33 PolarHBondContact N-OG1 3.31Å; T20-T33 PolarHBondContact O-N 3.28Å; T20-T33 PolarHBondContact O-OG1 3.35Å; T20-I89 CarbonylContact C-O 3.53Å; T20-I89 WeakPolarHBondContact CA-O 3.4Å; T20-V90 HydrophobicContact CG2-CG1 4.48Å; T20-V90 HydrophobicContact CG2-CG2 4.46Å
21M97.1Very high96Very high2 Ų256 Ų561%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-149.3140.4178.1-176.2168.366.500110.3V23 R31 T39 A43 I89M21-V23 HydrophobicContact CE-CG2 3.87Å; M21-V23 HydrophobicContact CG-CG2 3.78Å; M21-V23 HydrophobicContact SD-CG2 4.07Å; M21-R31 CarbonylContact C-O 3.6Å; M21-R31 VanDerWaalsContact CA-O 3.29Å; M21-R31 WeakPolarHBondContact CA-O 3.09Å; M21-R31 WeakPolarHBondContact CG-O 3.29Å; M21-T39 HydrophobicContact SD-CG2 3.66Å; M21-A43 HydrophobicContact CE-CB 3.96Å; M21-A43 HydrophobicContact SD-CB 4.06Å; M21-I89 HydrophobicContact CB-CB 4.2Å; M21-I89 HydrophobicContact CE-CB 4.38Å; M21-I89 HydrophobicContact CE-CD1 3.43Å; M21-I89 VanDerWaalsContact CE-CD1 3.43Å; M21-I89 HydrophobicContact CE-CG1 4.5Å; M21-I89 HydrophobicContact CE-CG2 4.32Å; M21-I89 PolarHBondContact N-O 3.26Å; M21-I89 PolarHBondContact O-N 2.78Å
22V97.2Very high96Very high20 Ų2056.7 Ų56.712%0.12130%0.302CS..EExtended strand (participates in β ladder)trans-117.9124171.3-177.30000107.1L8 I30 R31 Y86 L87 L88L8-V22 HydrophobicContact CD1-CG2 4.2Å; L8-V22 HydrophobicContact CD2-CG2 4.07Å; V22-I30 HydrophobicContact CG1-CD1 4.28Å; V22-I30 PolarHBondContact O-N 2.97Å; V22-R31 HydrophobicContact CB-CB 4.24Å; V22-R31 HydrophobicContact CG2-CB 4.37Å; V22-R31 PolarHBondContact N-O 2.85Å; V22-R31 PolarHBondContact O-N 2.98Å; V22-Y86 HydrophobicContact CG1-CD2 4.27Å; V22-Y86 HydrophobicContact CG1-CG 4.48Å; V22-L87 WeakPolarHBondContact CA-O 3.38Å; V22-L88 HydrophobicContact CG2-CD1 4.08Å
23V97.5Very high96Very high0 Ų056.4 Ų56.40%031%0.305CS..EExtended strand (participates in β ladder)trans-120.7137.8-178.5-174.80000107.8M21 G27 I28 A43 Y86 L87 I89M21-V23 HydrophobicContact CE-CG2 3.87Å; M21-V23 HydrophobicContact CG-CG2 3.78Å; M21-V23 HydrophobicContact SD-CG2 4.07Å; V23-G27 WeakPolarHBondContact CG1-O 3.41Å; V23-I28 WeakPolarHBondContact CA-O 3.13Å; V23-A43 HydrophobicContact CG1-CB 4.18Å; V23-A43 HydrophobicContact CG2-CB 3.76Å; V23-Y86 CarbonylContact O-C 3.57Å; V23-Y86 WeakPolarHBondContact O-CA 3.44Å; V23-Y86 VanDerWaalsContact O-CB 3.3Å; V23-Y86 WeakPolarHBondContact O-CB 3.09Å; V23-L87 HydrophobicContact CB-CB 4.3Å; V23-L87 PolarHBondContact N-O 2.93Å; V23-L87 PolarHBondContact O-N 3.26Å; V23-I89 HydrophobicContact CG2-CD1 3.79Å
24N95.6Very high96Very high30 Ų3053.5 Ų53.516%0.1628%0.282CS..EExtended strand (participates in β ladder)trans-75.3178.6176.368.52.9000112.4E26 G27 I28 I30 E85N24-E26 PolarHBondContact ND2-OE2 2.95Å; N24-E26 PolarHBondContact O-N 2.74Å; N24-E26 PolarHBondContact OD1-N 3.45Å; N24-E26 VanDerWaalsContact OD1-N 3.17Å; N24-E26 PolarHBondContact OD1-OE2 2.95Å; N24-G27 PolarHBondContact O-N 2.97Å; N24-G27 PolarHBondContact OD1-N 3.37Å; N24-G27 VanDerWaalsContact OD1-N 3.15Å; N24-I28 PolarHBondContact N-O 2.88Å; N24-I28 WeakPolarHBondContact OD1-CA 3.43Å; N24-I28 WeakPolarHBondContact OD1-CB 3.3Å; N24-I28 PolarHBondContact OD1-N 2.84Å; N24-I28 PolarHBondContact OD1-O 3.1Å; N24-I30 HydrophobicContact CB-CD1 3.68Å; N24-I30 HydrophobicContact CB-CG1 4.11Å; N24-E85 CarbonylContact C-O 3.3Å
25A92.8Very high96.1Very high52 Ų5252.7 Ų52.743%0.4328%0.281SS..THydrogen-bonded Turntrans-59-25.6177.800000113.8G27 H47 E85A25-G27 VanDerWaalsContact C-N 3.33Å; A25-H47 PolarHBondContact O-NE2 2.78Å; A25-E85 PolarHBondContact N-O 2.8Å
26E92.8Very high96.1Very high134 Ų13451.9 Ų51.963%0.62628%0.284SS*.THydrogen-bonded Turntrans-84.5-2.5177.8-60.574.1-156.300113.8N24 I28N24-E26 PolarHBondContact ND2-OE2 2.95Å; N24-E26 PolarHBondContact O-N 2.74Å; N24-E26 PolarHBondContact OD1-N 3.45Å; N24-E26 VanDerWaalsContact OD1-N 3.17Å; N24-E26 PolarHBondContact OD1-OE2 2.95Å; E26-I28 HydrophobicContact CB-CD1 4.28Å; E26-I28 HydrophobicContact CB-CG1 4.25Å
27G94.1Very high96.2Very high13 Ų1355.2 Ų55.213%0.13431%0.305CS..SBendtrans85.112.5-178.500000114.3V23 N24 A25 H47V23-G27 WeakPolarHBondContact CG1-O 3.41Å; N24-G27 PolarHBondContact O-N 2.97Å; N24-G27 PolarHBondContact OD1-N 3.37Å; N24-G27 VanDerWaalsContact OD1-N 3.15Å; A25-G27 VanDerWaalsContact C-N 3.33Å; G27-H47 VanDerWaalsContact CA-CD2 3.44Å; G27-H47 WeakPolarHBondContact CA-CD2 3.49Å; G27-H47 PolarHBondContact N-CD2 3.27Å
28I96.3Very high96.1Very high101 Ų10155.8 Ų55.852%0.51831%0.309SS..  trans-91.3125.3179.5-53.7175000109.7V23 N24 E26 I30V23-I28 WeakPolarHBondContact CA-O 3.13Å; N24-I28 PolarHBondContact N-O 2.88Å; N24-I28 WeakPolarHBondContact OD1-CA 3.43Å; N24-I28 WeakPolarHBondContact OD1-CB 3.3Å; N24-I28 PolarHBondContact OD1-N 2.84Å; N24-I28 PolarHBondContact OD1-O 3.1Å; E26-I28 HydrophobicContact CB-CD1 4.28Å; E26-I28 HydrophobicContact CB-CG1 4.25Å; I28-I30 PolarHBondContact O-N 2.82Å
29P97.1Very high96.2Very high44 Ų4451.8 Ų51.829%0.28629%0.288SS..EExtended strand (participates in β ladder)trans-63.3126.1175.2-12.522.6000111.9T39 A43P29-T39 HydrophobicContact CB-CG2 3.44Å; P29-T39 VanDerWaalsContact CB-CG2 3.44Å; P29-T39 HydrophobicContact CG-CG2 3.52Å; P29-A43 HydrophobicContact CG-CB 3.66Å
30I95.3Very high96.2Very high84 Ų8456.7 Ų56.743%0.43132%0.318SS..EExtended strand (participates in β ladder)trans-96.1-39.6174.3-56.6162.8000110.7V22 N24 I28V22-I30 HydrophobicContact CG1-CD1 4.28Å; V22-I30 PolarHBondContact O-N 2.97Å; N24-I30 HydrophobicContact CB-CD1 3.68Å; N24-I30 HydrophobicContact CB-CG1 4.11Å; I28-I30 PolarHBondContact O-N 2.82Å
31R95.2Very high96.2Very high110 Ų11062.1 Ų62.142%0.41534%0.343SS..EExtended strand (participates in β ladder)trans-143.8145.5179.4-68-64.3-177.6-92.63.3109.6L8 M21 V22L8-R31 HydrophobicContact CD1-CB 4.34Å; M21-R31 CarbonylContact C-O 3.6Å; M21-R31 VanDerWaalsContact CA-O 3.29Å; M21-R31 WeakPolarHBondContact CA-O 3.09Å; M21-R31 WeakPolarHBondContact CG-O 3.29Å; V22-R31 HydrophobicContact CB-CB 4.24Å; V22-R31 HydrophobicContact CG2-CB 4.37Å; V22-R31 PolarHBondContact N-O 2.85Å; V22-R31 PolarHBondContact O-N 2.98Å
32T96.8Very high96.2Very high47 Ų4765 Ų6529%0.28835%0.354SS..EExtended strand (participates in β ladder)trans-159.3152.9176.2-168.40000109.8T20 L34 T39T20-T32 CarbonylContact O-C 3.59Å; T20-T32 VanDerWaalsContact O-CA 3.31Å; T20-T32 WeakPolarHBondContact O-CA 3.41Å; T32-L34 PolarHBondContact OG1-N 3.27Å; T32-L34 VanDerWaalsContact OG1-N 3.15Å; T32-T39 HydrophobicContact CG2-CG2 3.64Å; T32-T39 WeakPolarHBondContact CG2-OG1 3.47Å; T32-T39 PolarHBondContact OG1-OG1 3Å; T32-T39 VanDerWaalsContact OG1-OG1 3.13Å
33T97Very high96.2Very high66 Ų6664.1 Ų64.141%0.40535%0.349SS..SBendtrans-102.3-0.9165.958.80000112.7Q12 G19 T20Q12-T33 VanDerWaalsContact CD-CG2 3.47Å; Q12-T33 HydrophobicContact CG-CG2 4.22Å; G19-T33 VanDerWaalsContact CA-OG1 3.31Å; G19-T33 WeakPolarHBondContact CA-OG1 3.41Å; T20-T33 PolarHBondContact N-OG1 3.31Å; T20-T33 PolarHBondContact O-N 3.28Å; T20-T33 PolarHBondContact O-OG1 3.35Å
34L96.7Very high96.2Very high34 Ų3466 Ų6618%0.17837%0.369CS..SBendtrans-86165-179.5-53.8171.6000109.9T32 T38 I91T32-L34 PolarHBondContact OG1-N 3.27Å; T32-L34 VanDerWaalsContact OG1-N 3.15Å; L34-T38 HydrophobicContact CB-CG2 4.39Å; L34-T38 HydrophobicContact CD1-CG2 3.98Å; L34-I91 HydrophobicContact CD1-CD1 3.5Å; L34-I91 HydrophobicContact CD2-CD1 4.15Å; L34-I91 HydrophobicContact CG-CD1 4.4Å
35D97.4Very high96.2Very high87 Ų8769.8 Ų69.847%0.46539%0.388SS..  trans-67.7153.4168.571.291.8000110.9S37 T38 T39D35-S37 PolarHBondContact O-N 3.48Å; D35-S37 VanDerWaalsContact O-N 3.11Å; D35-S37 WeakPolarHBondContact OD1-CB 3.42Å; D35-S37 PolarHBondContact OD1-N 3.43Å; D35-S37 PolarHBondContact OD1-OG 2.89Å; D35-T38 PolarHBondContact O-N 3.22Å; D35-T38 PolarHBondContact OD1-N 2.88Å; D35-T38 PolarHBondContact OD1-OG1 3.33Å; D35-T38 VanDerWaalsContact OD2-CB 3.24Å; D35-T38 WeakPolarHBondContact OD2-CB 3.29Å; D35-T38 PolarHBondContact OD2-OG1 3.12Å; D35-T39 PolarHBondContact O-N 3.25Å; D35-T39 PolarHBondContact O-OG1 3.39Å
36N96Very high96.5Very high135 Ų13567.8 Ų67.872%0.72237%0.37SS*.Hα-helixtrans-54.3-36.6-174.7-71.4-26000113.9V40N36-V40 WeakPolarHBondContact O-CG2 3.45Å; N36-V40 PolarHBondContact O-N 2.93Å
37S97Very high96.7Very high85 Ų8563.3 Ų63.359%0.59435%0.349SS*.Hα-helixtrans-68.9-46.6-177.175.80000111D35 Q41D35-S37 PolarHBondContact O-N 3.48Å; D35-S37 VanDerWaalsContact O-N 3.11Å; D35-S37 WeakPolarHBondContact OD1-CB 3.42Å; D35-S37 PolarHBondContact OD1-N 3.43Å; D35-S37 PolarHBondContact OD1-OG 2.89Å; S37-Q41 WeakPolarHBondContact O-CB 3.39Å; S37-Q41 PolarHBondContact O-N 2.91Å
38T96.4Very high96.8Very high34 Ų3468.1 Ų68.121%0.20937%0.368CS..Hα-helixtrans-64.3-42.9175.6-56.10000110.9L34 D35 V40 Q41 Y42L34-T38 HydrophobicContact CB-CG2 4.39Å; L34-T38 HydrophobicContact CD1-CG2 3.98Å; D35-T38 PolarHBondContact O-N 3.22Å; D35-T38 PolarHBondContact OD1-N 2.88Å; D35-T38 PolarHBondContact OD1-OG1 3.33Å; D35-T38 VanDerWaalsContact OD2-CB 3.24Å; D35-T38 WeakPolarHBondContact OD2-CB 3.29Å; D35-T38 PolarHBondContact OD2-OG1 3.12Å; T38-V40 PolarHBondContact O-N 2.9Å; T38-Q41 PolarHBondContact O-N 2.88Å; T38-Y42 HydrophobicContact CG2-CD1 3.9Å; T38-Y42 HydrophobicContact CG2-CD2 4.47Å; T38-Y42 HydrophobicContact CG2-CE1 3.91Å; T38-Y42 HydrophobicContact CG2-CE2 4.47Å; T38-Y42 HydrophobicContact CG2-CG 4.2Å; T38-Y42 VanDerWaalsContact O-CB 3.32Å; T38-Y42 WeakPolarHBondContact O-CB 3.49Å; T38-Y42 WeakPolarHBondContact O-CD1 3.34Å; T38-Y42 PolarHBondContact O-N 2.93Å
39T98.1Very high96.9Very high6 Ų667 Ų674%0.03736%0.362CS..Hα-helixtrans-56.7-52.8178.4-58.30000111.9M21 P29 T32 D35 Q41 Y42 A43M21-T39 HydrophobicContact SD-CG2 3.66Å; P29-T39 HydrophobicContact CB-CG2 3.44Å; P29-T39 VanDerWaalsContact CB-CG2 3.44Å; P29-T39 HydrophobicContact CG-CG2 3.52Å; T32-T39 HydrophobicContact CG2-CG2 3.64Å; T32-T39 WeakPolarHBondContact CG2-OG1 3.47Å; T32-T39 PolarHBondContact OG1-OG1 3Å; T32-T39 VanDerWaalsContact OG1-OG1 3.13Å; D35-T39 PolarHBondContact O-N 3.25Å; D35-T39 PolarHBondContact O-OG1 3.39Å; T39-Q41 VanDerWaalsContact C-N 3.34Å; T39-Q41 PolarHBondContact O-N 2.82Å; T39-Y42 PolarHBondContact O-N 3.4Å; T39-A43 WeakPolarHBondContact O-CB 3.44Å; T39-A43 PolarHBondContact O-N 3.25Å
40V96.8Very high96.9Very high103 Ų10364.9 Ų64.962%0.62435%0.349SS*.Hα-helixtrans-61.8-44.9-177.91710000110.6N36 T38 G44N36-V40 WeakPolarHBondContact O-CG2 3.45Å; N36-V40 PolarHBondContact O-N 2.93Å; T38-V40 PolarHBondContact O-N 2.9Å; V40-G44 PolarHBondContact O-N 2.83Å
41Q96.7Very high96.9Very high117 Ų11765.2 Ų65.255%0.54735%0.35SS..Hα-helixtrans-62.8-49.1179.3-175.1179.71300111.7S37 T38 T39 L45S37-Q41 WeakPolarHBondContact O-CB 3.39Å; S37-Q41 PolarHBondContact O-N 2.91Å; T38-Q41 PolarHBondContact O-N 2.88Å; T39-Q41 VanDerWaalsContact C-N 3.34Å; T39-Q41 PolarHBondContact O-N 2.82Å; Q41-L45 HydrophobicContact CG-CD1 3.85Å; Q41-L45 WeakPolarHBondContact O-CB 3.22Å; Q41-L45 VanDerWaalsContact O-CG 3.28Å; Q41-L45 WeakPolarHBondContact O-CG 3.2Å; Q41-L45 PolarHBondContact O-N 2.8Å; Q41-L45 VanDerWaalsContact O-N 3.12Å
42Y97.1Very high97Very high64 Ų6465.4 Ų65.425%0.25135%0.354SS..Hα-helixtrans-70.5-38.8-175.5-83.238.9000111.4T38 T39 L46 I78 I91T38-Y42 HydrophobicContact CG2-CD1 3.9Å; T38-Y42 HydrophobicContact CG2-CD2 4.47Å; T38-Y42 HydrophobicContact CG2-CE1 3.91Å; T38-Y42 HydrophobicContact CG2-CE2 4.47Å; T38-Y42 HydrophobicContact CG2-CG 4.2Å; T38-Y42 VanDerWaalsContact O-CB 3.32Å; T38-Y42 WeakPolarHBondContact O-CB 3.49Å; T38-Y42 WeakPolarHBondContact O-CD1 3.34Å; T38-Y42 PolarHBondContact O-N 2.93Å; T39-Y42 PolarHBondContact O-N 3.4Å; Y42-L46 HydrophobicContact CD2-CD1 4.43Å; Y42-L46 WeakPolarHBondContact O-CB 3.18Å; Y42-L46 WeakPolarHBondContact O-CG 3.29Å; Y42-L46 PolarHBondContact O-N 2.83Å; Y42-I78 HydrophobicContact CD2-CD1 4.43Å; Y42-I78 HydrophobicContact CE2-CD1 3.99Å; Y42-I91 HydrophobicContact CD2-CD1 3.58Å; Y42-I91 HydrophobicContact CE2-CD1 3.6Å; Y42-I91 HydrophobicContact CE2-CG1 4.49Å
43A97.8Very high97Very high1 Ų164.2 Ų64.21%0.00835%0.348CS..Hα-helixtrans-61.3-48.7178.500000111.6M21 V23 P29 T39 H47M21-A43 HydrophobicContact CE-CB 3.96Å; M21-A43 HydrophobicContact SD-CB 4.06Å; V23-A43 HydrophobicContact CG1-CB 4.18Å; V23-A43 HydrophobicContact CG2-CB 3.76Å; P29-A43 HydrophobicContact CG-CB 3.66Å; T39-A43 WeakPolarHBondContact O-CB 3.44Å; T39-A43 PolarHBondContact O-N 3.25Å; A43-H47 WeakPolarHBondContact O-CB 3.5Å; A43-H47 PolarHBondContact O-N 2.78Å
44G96.6Very high97Very high40 Ų4063.3 Ų63.341%0.41234%0.339SS..Hα-helixtrans-64-45.6178.800000112.9V40 H48V40-G44 PolarHBondContact O-N 2.83Å; G44-H48 PolarHBondContact O-N 2.83Å
45L97.3Very high97Very high108 Ų10864.7 Ų64.757%0.56535%0.351SS*.Hα-helixtrans-65.8-46.4-180-71174.6000112.3Q41 L49Q41-L45 HydrophobicContact CG-CD1 3.85Å; Q41-L45 WeakPolarHBondContact O-CB 3.22Å; Q41-L45 VanDerWaalsContact O-CG 3.28Å; Q41-L45 WeakPolarHBondContact O-CG 3.2Å; Q41-L45 PolarHBondContact O-N 2.8Å; Q41-L45 VanDerWaalsContact O-N 3.12Å; L45-L49 VanDerWaalsContact O-CB 3.29Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 PolarHBondContact O-N 2.86Å
46L97.6Very high97Very high10 Ų1064.4 Ų64.45%0.05235%0.353CS..Hα-helixtrans-72.4-36.4-177.5-66.1170.9000111.6Y42 L49 T50 I71 I78 V80 I89Y42-L46 HydrophobicContact CD2-CD1 4.43Å; Y42-L46 WeakPolarHBondContact O-CB 3.18Å; Y42-L46 WeakPolarHBondContact O-CG 3.29Å; Y42-L46 PolarHBondContact O-N 2.83Å; L46-L49 PolarHBondContact O-N 3.27Å; L46-T50 VanDerWaalsContact O-CB 3.29Å; L46-T50 WeakPolarHBondContact O-CB 3.4Å; L46-T50 PolarHBondContact O-N 2.86Å; L46-T50 PolarHBondContact O-OG1 2.71Å; L46-I71 HydrophobicContact CD2-CD1 3.92Å; L46-I78 HydrophobicContact CD1-CG2 3.83Å; L46-I78 HydrophobicContact CD2-CG2 3.98Å; L46-V80 HydrophobicContact CD1-CG2 4.42Å; L46-V80 HydrophobicContact CD2-CG2 4.11Å; L46-I89 HydrophobicContact CB-CD1 4.04Å; L46-I89 HydrophobicContact CD1-CD1 3.81Å; L46-I89 HydrophobicContact CD1-CG1 4.21Å; L46-I89 HydrophobicContact CD1-CG2 3.6Å
47H97.4Very high97.1Very high41 Ų4159.8 Ų59.819%0.1933%0.329CS..Hα-helixtrans-58.3-52.1173.1176-89.6000111.4A25 G27 A43 L49 T50 M51 L87A25-H47 PolarHBondContact O-NE2 2.78Å; G27-H47 VanDerWaalsContact CA-CD2 3.44Å; G27-H47 WeakPolarHBondContact CA-CD2 3.49Å; G27-H47 PolarHBondContact N-CD2 3.27Å; A43-H47 WeakPolarHBondContact O-CB 3.5Å; A43-H47 PolarHBondContact O-N 2.78Å; H47-L49 VanDerWaalsContact C-N 3.33Å; H47-L49 PolarHBondContact O-N 3.38Å; H47-T50 PolarHBondContact O-N 3.2Å; H47-M51 WeakPolarHBondContact O-CG 3.27Å; H47-M51 PolarHBondContact O-N 3.37Å; H47-L87 HydrophobicContact CB-CD1 4.12Å
48H96.9Very high97.1Very high114 Ų11461.7 Ų61.753%0.52832%0.323SS..Hα-helixtrans-62.6-41179.4-16956.1000112.4G44 M51 K52G44-H48 PolarHBondContact O-N 2.83Å; H48-M51 PolarHBondContact O-N 3.47Å; H48-K52 VanDerWaalsContact CD2-CE 3.49Å; H48-K52 WeakPolarHBondContact CD2-CE 3.31Å; H48-K52 WeakPolarHBondContact NE2-CE 3.48Å; H48-K52 WeakPolarHBondContact O-CG 3.29Å; H48-K52 PolarHBondContact O-N 3.21Å
49L97.5Very high97.1Very high76 Ų7666.6 Ų66.640%0.39835%0.348SS..Hα-helixtrans-64-45.3177.1-178.861.3000111.7L45 L46 H47 M51 K52 A53 L69 I71L45-L49 VanDerWaalsContact O-CB 3.29Å; L45-L49 WeakPolarHBondContact O-CB 3.36Å; L45-L49 PolarHBondContact O-N 2.86Å; L46-L49 PolarHBondContact O-N 3.27Å; H47-L49 VanDerWaalsContact C-N 3.33Å; H47-L49 PolarHBondContact O-N 3.38Å; L49-M51 VanDerWaalsContact C-N 3.31Å; L49-M51 PolarHBondContact O-N 2.95Å; L49-K52 PolarHBondContact O-N 3.2Å; L49-A53 WeakPolarHBondContact O-CB 3.34Å; L49-A53 PolarHBondContact O-N 2.84Å; L49-L69 HydrophobicContact CD2-CD2 4.12Å; L49-L69 HydrophobicContact CG-CD2 4.04Å; L49-I71 HydrophobicContact CD2-CD1 3.94Å; L49-I71 HydrophobicContact CD2-CG1 4.22Å
50T97.1Very high97.1Very high1 Ų173 Ų731%0.00638%0.381CS..Hα-helixtrans-62.8-38.6177.2-65.80000111.6L46 H47 A53 K54 L66 P82 L87L46-T50 VanDerWaalsContact O-CB 3.29Å; L46-T50 WeakPolarHBondContact O-CB 3.4Å; L46-T50 PolarHBondContact O-N 2.86Å; L46-T50 PolarHBondContact O-OG1 2.71Å; H47-T50 PolarHBondContact O-N 3.2Å; T50-A53 PolarHBondContact O-N 3.42Å; T50-K54 HydrophobicContact CG2-CD 4.48Å; T50-K54 WeakPolarHBondContact O-CB 3.38Å; T50-K54 WeakPolarHBondContact O-CG 3.33Å; T50-K54 PolarHBondContact O-N 2.93Å; T50-L66 HydrophobicContact CG2-CD2 4.05Å; T50-P82 HydrophobicContact CG2-CB 3.89Å; T50-P82 HydrophobicContact CG2-CG 4.27Å; T50-L87 HydrophobicContact CG2-CD2 3.88Å
51M95.7Very high97.1Very high91 Ų9171.2 Ų71.245%0.44837%0.368SS..Hα-helixtrans-62.7-45.3174.7-72.5-58.5-65.100111.9H47 H48 L49 K54 S55H47-M51 WeakPolarHBondContact O-CG 3.27Å; H47-M51 PolarHBondContact O-N 3.37Å; H48-M51 PolarHBondContact O-N 3.47Å; L49-M51 VanDerWaalsContact C-N 3.31Å; L49-M51 PolarHBondContact O-N 2.95Å; M51-K54 PolarHBondContact O-N 3.47Å; M51-S55 PolarHBondContact O-N 3.45Å; M51-S55 PolarHBondContact O-OG 2.85Å
52K97.2Very high97.1Very high114 Ų11471 Ų7150%0.49638%0.376SS..Hα-helixtrans-61.4-44.9174.5-72.2175.7-179.5-70.60112H48 L49 K54 S55 T56H48-K52 VanDerWaalsContact CD2-CE 3.49Å; H48-K52 WeakPolarHBondContact CD2-CE 3.31Å; H48-K52 WeakPolarHBondContact NE2-CE 3.48Å; H48-K52 WeakPolarHBondContact O-CG 3.29Å; H48-K52 PolarHBondContact O-N 3.21Å; L49-K52 PolarHBondContact O-N 3.2Å; K52-K54 VanDerWaalsContact C-N 3.34Å; K52-K54 PolarHBondContact O-N 3.13Å; K52-S55 PolarHBondContact O-N 3.41Å; K52-T56 PolarHBondContact O-N 3.15Å; K52-T56 PolarHBondContact O-OG1 3.45Å; K52-T56 VanDerWaalsContact O-OG1 3.1Å
53A97.4Very high97.1Very high21 Ų2176.8 Ų76.817%0.17441%0.406CS..Hα-helixtrans-62.6-40.6178.400000111.9L49 T50 T56 V57 L66L49-A53 WeakPolarHBondContact O-CB 3.34Å; L49-A53 PolarHBondContact O-N 2.84Å; T50-A53 PolarHBondContact O-N 3.42Å; A53-T56 PolarHBondContact O-N 3Å; A53-V57 WeakPolarHBondContact O-CG2 3.39Å; A53-V57 PolarHBondContact O-N 3.39Å; A53-L66 HydrophobicContact CB-CD1 4.5Å; A53-L66 HydrophobicContact CB-CD2 3.69Å
54K96.1Very high96.9Very high47 Ų4780.7 Ų80.720%0.20443%0.426CS..Hα-helixtrans-57.9-48.1172.7-81.6178.8175.7-174.80111.5T50 M51 K52 V57 R58 L66T50-K54 HydrophobicContact CG2-CD 4.48Å; T50-K54 WeakPolarHBondContact O-CB 3.38Å; T50-K54 WeakPolarHBondContact O-CG 3.33Å; T50-K54 PolarHBondContact O-N 2.93Å; M51-K54 PolarHBondContact O-N 3.47Å; K52-K54 VanDerWaalsContact C-N 3.34Å; K52-K54 PolarHBondContact O-N 3.13Å; K54-V57 PolarHBondContact O-N 3.07Å; K54-R58 WeakPolarHBondContact O-CG 3.28Å; K54-R58 PolarHBondContact O-N 3.5Å; K54-R58 VanDerWaalsContact O-N 3.16Å; K54-L66 HydrophobicContact CG-CB 3.73Å; K54-L66 HydrophobicContact CG-CD2 3.9Å; K54-L66 HydrophobicContact CG-CG 4.47Å
55S96.8Very high96.8Very high64 Ų6482.8 Ų82.845%0.44843%0.428SS..Hα-helixtrans-60-48176.6-65.30000111.8M51 K52 V57 R58 D59M51-S55 PolarHBondContact O-N 3.45Å; M51-S55 PolarHBondContact O-OG 2.85Å; K52-S55 PolarHBondContact O-N 3.41Å; S55-V57 VanDerWaalsContact C-N 3.34Å; S55-V57 PolarHBondContact O-N 2.91Å; S55-R58 PolarHBondContact O-N 2.86Å; S55-R58 VanDerWaalsContact O-N 3.13Å; S55-D59 PolarHBondContact O-N 2.82Å
56T97.7Very high96.7Very high80 Ų8078.9 Ų78.949%0.49141%0.408SS..Hα-helixtrans-61.3-39.9179.9-57.40000112.9K52 A53 R58 D59 I60K52-T56 PolarHBondContact O-N 3.15Å; K52-T56 PolarHBondContact O-OG1 3.45Å; K52-T56 VanDerWaalsContact O-OG1 3.1Å; A53-T56 PolarHBondContact O-N 3Å; T56-R58 VanDerWaalsContact C-N 3.34Å; T56-D59 PolarHBondContact O-N 2.99Å; T56-I60 HydrophobicContact CG2-CD1 4.25Å; T56-I60 WeakPolarHBondContact O-CG1 3.49Å; T56-I60 PolarHBondContact O-N 3.01Å
57V97.4Very high96.6Very high38 Ų3883.9 Ų83.923%0.2344%0.439CS..Hα-helixtrans-61.9-44.3175.6169.80000110.7A53 K54 S55 I60 D61 N64 L66A53-V57 WeakPolarHBondContact O-CG2 3.39Å; A53-V57 PolarHBondContact O-N 3.39Å; K54-V57 PolarHBondContact O-N 3.07Å; S55-V57 VanDerWaalsContact C-N 3.34Å; S55-V57 PolarHBondContact O-N 2.91Å; V57-I60 PolarHBondContact O-N 2.85Å; V57-D61 PolarHBondContact O-N 3.15Å; V57-N64 HydrophobicContact CG1-CB 4.15Å; V57-L66 HydrophobicContact CG2-CB 4.38Å; V57-L66 HydrophobicContact CG2-CD1 4.14Å
58R96.8Very high96.6Very high126 Ų12686.2 Ų86.248%0.47545%0.449SS..Hα-helixtrans-70.5-29.3179.3-71.8179.5179.3176.3-3.2113.9K54 S55 T56 I60 D61 P62 N64 D65K54-R58 WeakPolarHBondContact O-CG 3.28Å; K54-R58 PolarHBondContact O-N 3.5Å; K54-R58 VanDerWaalsContact O-N 3.16Å; S55-R58 PolarHBondContact O-N 2.86Å; S55-R58 VanDerWaalsContact O-N 3.13Å; T56-R58 VanDerWaalsContact C-N 3.34Å; R58-I60 VanDerWaalsContact C-N 3.28Å; R58-D61 WeakPolarHBondContact CA-O 3.22Å; R58-D61 CarbonylContact O-C 3.53Å; R58-D61 VanDerWaalsContact O-C 3.3Å; R58-P62 WeakPolarHBondContact O-CA 3.45Å; R58-P62 VanDerWaalsContact O-N 3.15Å; R58-N64 WeakPolarHBondContact CG-O 3.42Å; R58-D65 IonicContact CZ-OD1 3.2Å; R58-D65 IonicContact NE-OD1 2.84Å; R58-D65 PolarHBondContact NE-OD1 3.49Å; R58-D65 IonicContact NH2-OD1 2.71Å; R58-D65 PolarHBondContact NH2-OD1 2.79Å; R58-D65 IonicContact NH2-OD2 3.89Å
59D97.4Very high96.7Very high137 Ų13782.2 Ų82.273%0.73343%0.431SS*.Hα-helixtrans-68.2-31.3173.7-68.3-22.6000111.4S55 T56S55-D59 PolarHBondContact O-N 2.82Å; T56-D59 PolarHBondContact O-N 2.99Å
60I97.5Very high96.7Very high139 Ų13985.4 Ų85.471%0.71344%0.438SS*.Hα-helixtrans-78.6-46.8175.9-65.3165.5000110.8T56 V57 R58T56-I60 HydrophobicContact CG2-CD1 4.25Å; T56-I60 WeakPolarHBondContact O-CG1 3.49Å; T56-I60 PolarHBondContact O-N 3.01Å; V57-I60 PolarHBondContact O-N 2.85Å; R58-I60 VanDerWaalsContact C-N 3.28Å
61D97.5Very high96.7Very high66 Ų6688.3 Ų88.335%0.35345%0.453SS..  trans-142.8106.6177.3-179.8-2.8000109.9V57 R58 Q63 N64V57-D61 PolarHBondContact O-N 3.15Å; R58-D61 WeakPolarHBondContact CA-O 3.22Å; R58-D61 CarbonylContact O-C 3.53Å; R58-D61 VanDerWaalsContact O-C 3.3Å; D61-Q63 PolarHBondContact O-N 2.82Å; D61-Q63 VanDerWaalsContact O-N 3.09Å; D61-Q63 PolarHBondContact OD1-N 3.1Å; D61-N64 HydrophobicContact CB-CB 3.85Å; D61-N64 PolarHBondContact O-N 2.87Å
62P96.8Very high96.7Very high112 Ų11290.7 Ų90.773%0.72746%0.457SS*.THydrogen-bonded Turntrans-62.2-16.7-179-25.134.6000115R58R58-P62 WeakPolarHBondContact O-CA 3.45Å; R58-P62 VanDerWaalsContact O-N 3.15Å
63Q96.3Very high96.6Very high187 Ų18788 Ų8887%0.87445%0.453SS*.THydrogen-bonded Turntrans-90.9-4.7177.4-59.2-174.511.800112.7D61D61-Q63 PolarHBondContact O-N 2.82Å; D61-Q63 VanDerWaalsContact O-N 3.09Å; D61-Q63 PolarHBondContact OD1-N 3.1Å
64N94.8Very high96.5Very high82 Ų8296.4 Ų96.444%0.43949%0.485SS..  trans-104.6150.7-176.5-153.1-18.4000111.6V57 R58 D61V57-N64 HydrophobicContact CG1-CB 4.15Å; R58-N64 WeakPolarHBondContact CG-O 3.42Å; D61-N64 HydrophobicContact CB-CB 3.85Å; D61-N64 PolarHBondContact O-N 2.87Å
65D93.7Very high96.3Very high84 Ų84101.9 Ų101.945%0.44951%0.509SS..  trans-130.2143.6-178.6-86.8-39.5000110.7R58 T67R58-D65 IonicContact CZ-OD1 3.2Å; R58-D65 IonicContact NE-OD1 2.84Å; R58-D65 PolarHBondContact NE-OD1 3.49Å; R58-D65 IonicContact NH2-OD1 2.71Å; R58-D65 PolarHBondContact NH2-OD1 2.79Å; R58-D65 IonicContact NH2-OD2 3.89Å; D65-T67 PolarHBondContact O-N 2.78Å; D65-T67 VanDerWaalsContact O-N 3.12Å
66L95.6Very high96.2Very high26 Ų26102.1 Ų102.114%0.13650%0.503CS..  trans-66.8113.2173.6-177.473.3000109.6T50 A53 K54 V57 F68 L69 P82T50-L66 HydrophobicContact CG2-CD2 4.05Å; A53-L66 HydrophobicContact CB-CD1 4.5Å; A53-L66 HydrophobicContact CB-CD2 3.69Å; K54-L66 HydrophobicContact CG-CB 3.73Å; K54-L66 HydrophobicContact CG-CD2 3.9Å; K54-L66 HydrophobicContact CG-CG 4.47Å; V57-L66 HydrophobicContact CG2-CB 4.38Å; V57-L66 HydrophobicContact CG2-CD1 4.14Å; L66-F68 WeakPolarHBondContact CD1-O 3.32Å; L66-L69 HydrophobicContact CD2-CB 4.46Å; L66-P82 HydrophobicContact CD2-CG 4.26Å; L66-P82 HydrophobicContact CG-CG 4.27Å; L66-P82 VanDerWaalsContact O-CG 3.29Å; L66-P82 WeakPolarHBondContact O-CG 3.26Å
67T95.4Very high96.2Very high116 Ų11698.9 Ų98.971%0.71248%0.482SS*.  trans-93.2-30177.253.70000112.8D65D65-T67 PolarHBondContact O-N 2.78Å; D65-T67 VanDerWaalsContact O-N 3.12Å
68F97.3Very high96.2Very high89 Ų8998.1 Ų98.139%0.3948%0.477SS..  trans-158.1139.9-174.8-159.9-103.2000111.7L66 R70 M79 A81L66-F68 WeakPolarHBondContact CD1-O 3.32Å; F68-R70 HydrophobicContact CD1-CB 4.4Å; F68-R70 HydrophobicContact CE1-CB 4.1Å; F68-M79 HydrophobicContact CE1-CB 4.21Å; F68-M79 HydrophobicContact CE1-CE 3.98Å; F68-M79 HydrophobicContact CE1-CG 3.98Å; F68-M79 HydrophobicContact CE2-CB 4.43Å; F68-M79 HydrophobicContact CE2-CE 4.46Å; F68-M79 HydrophobicContact CZ-CB 3.58Å; F68-M79 HydrophobicContact CZ-CE 3.43Å; F68-M79 VanDerWaalsContact CZ-CE 3.43Å; F68-M79 HydrophobicContact CZ-CG 3.71Å; F68-M79 HydrophobicContact CZ-SD 4.39Å; F68-A81 HydrophobicContact CD2-CB 3.94Å; F68-A81 HydrophobicContact CE2-CB 4.01Å
69L97.7Very high96.2Very high31 Ų3194.6 Ų94.616%0.16247%0.466CS..EExtended strand (participates in β ladder)trans-125.4125175175.467.4000109.5L49 L66 I71 V80L49-L69 HydrophobicContact CD2-CD2 4.12Å; L49-L69 HydrophobicContact CG-CD2 4.04Å; L66-L69 HydrophobicContact CD2-CB 4.46Å; L69-I71 HydrophobicContact CD2-CD1 4.02Å; L69-I71 HydrophobicContact CG-CD1 4.01Å; L69-I71 HydrophobicContact CG-CG1 4.38Å; L69-V80 HydrophobicContact CB-CB 4.23Å; L69-V80 PolarHBondContact N-O 2.64Å; L69-V80 PolarHBondContact O-N 3.17Å
70R97.9Very high96.3Very high143 Ų14388 Ų8854%0.5443%0.431SS..EExtended strand (participates in β ladder)trans-120.2120.8178.4-174.7-178.3179.5174.98.7109.8F68 E77 I78 M79F68-R70 HydrophobicContact CD1-CB 4.4Å; F68-R70 HydrophobicContact CE1-CB 4.1Å; R70-E77 HydrophobicContact CG-CG 4.36Å; R70-E77 IonicContact CZ-OE1 3.09Å; R70-E77 IonicContact CZ-OE2 3.57Å; R70-E77 IonicContact NE-OE1 2.67Å; R70-E77 PolarHBondContact NE-OE1 3.41Å; R70-E77 IonicContact NE-OE2 3.6Å; R70-E77 IonicContact NH2-OE1 2.78Å; R70-E77 PolarHBondContact NH2-OE1 3.36Å; R70-E77 IonicContact NH2-OE2 2.78Å; R70-E77 PolarHBondContact NH2-OE2 3.23Å; R70-I78 CarbonylContact C-O 3.56Å; R70-I78 WeakPolarHBondContact CA-O 3.31Å; R70-M79 HydrophobicContact CG-CG 4.31Å
71I97.2Very high96.3Very high61 Ų6182.9 Ų82.931%0.31341%0.409SS..EExtended strand (participates in β ladder)trans-112.6108174.9-52.7114.2000108.1L46 L49 L69 E77 I78 V80L46-I71 HydrophobicContact CD2-CD1 3.92Å; L49-I71 HydrophobicContact CD2-CD1 3.94Å; L49-I71 HydrophobicContact CD2-CG1 4.22Å; L69-I71 HydrophobicContact CD2-CD1 4.02Å; L69-I71 HydrophobicContact CG-CD1 4.01Å; L69-I71 HydrophobicContact CG-CG1 4.38Å; I71-E77 WeakPolarHBondContact O-CA 3.46Å; I71-I78 HydrophobicContact CB-CB 4.39Å; I71-I78 HydrophobicContact CD1-CB 4.31Å; I71-I78 HydrophobicContact CD1-CG2 4.36Å; I71-I78 PolarHBondContact N-O 3.11Å; I71-I78 PolarHBondContact O-N 3.05Å; I71-V80 HydrophobicContact CD1-CG2 4.44Å
72R96.7Very high96.2Very high141 Ų14180.6 Ų80.653%0.53240%0.398SS..EExtended strand (participates in β ladder)trans-104.3129.9178.6-169.6178.5-177.6103.3-3110.6E77 P94R72-E77 WeakPolarHBondContact CB-OE1 3.2Å; R72-E77 VanDerWaalsContact CD-OE1 3.26Å; R72-E77 WeakPolarHBondContact CD-OE1 3.28Å; R72-E77 VanDerWaalsContact CG-OE1 3.32Å; R72-E77 WeakPolarHBondContact CG-OE1 3.46Å; R72-E77 IonicContact CZ-OE1 3.8Å; R72-E77 IonicContact NE-OE1 3.91Å; R72-E77 VanDerWaalsContact NH1-CD 3.32Å; R72-E77 IonicContact NH1-OE1 2.91Å; R72-E77 PolarHBondContact NH1-OE1 3.03Å; R72-E77 IonicContact NH1-OE2 3.1Å; R72-E77 PolarHBondContact NH1-OE2 2.57Å; R72-E77 VanDerWaalsContact NH1-OE2 3.1Å; R72-P94 PolarHBondContact NH2-O 2.78Å
73S95.1Very high96.1Very high59 Ų5979 Ų7941%0.41338%0.383SS..  trans-120.2178.5168.573.10000109.7K75 H76S73-K75 PolarHBondContact O-N 2.91Å; S73-K75 PolarHBondContact OG-N 2.67Å; S73-H76 PolarHBondContact N-O 3.24Å; S73-H76 PolarHBondContact OG-N 2.91Å; S73-H76 PolarHBondContact OG-O 3.08Å
74K94.1Very high95.7Very high197 Ų19779 Ų7986%0.85738%0.38SS*.SBendtrans-65.1-26.1173.9-67.5-173.5179-178.40113.5
75K92.5Very high95.6Very high161 Ų16182.4 Ų82.470%0.739%0.394SS*.SBendtrans-106.1-31.2-173.3-66.4-173178-1760113.6S73 P94S73-K75 PolarHBondContact O-N 2.91Å; S73-K75 PolarHBondContact OG-N 2.67Å; K75-P94 VanDerWaalsContact C-CD 3.41Å; K75-P94 WeakPolarHBondContact O-CD 3.5Å
76H94.4Very high95.7Very high70 Ų7083 Ų8332%0.32439%0.39SS..  trans-142.3146.7-172.5-59.9110.5000111.2I18 S73 Q92I18-H76 VanDerWaalsContact CD1-CD2 3.49Å; I18-H76 WeakPolarHBondContact CD1-CD2 3.31Å; S73-H76 PolarHBondContact N-O 3.24Å; S73-H76 PolarHBondContact OG-N 2.91Å; S73-H76 PolarHBondContact OG-O 3.08Å; H76-Q92 WeakPolarHBondContact CA-O 3.48Å
77E97.5Very high95.8Very high11 Ų1182.2 Ų82.25%0.05139%0.386CS..EExtended strand (participates in β ladder)trans-117.8118166.9177.7148.1-96.800109R70 I71 R72 M79 I91 Q92 P94R70-E77 HydrophobicContact CG-CG 4.36Å; R70-E77 IonicContact CZ-OE1 3.09Å; R70-E77 IonicContact CZ-OE2 3.57Å; R70-E77 IonicContact NE-OE1 2.67Å; R70-E77 PolarHBondContact NE-OE1 3.41Å; R70-E77 IonicContact NE-OE2 3.6Å; R70-E77 IonicContact NH2-OE1 2.78Å; R70-E77 PolarHBondContact NH2-OE1 3.36Å; R70-E77 IonicContact NH2-OE2 2.78Å; R70-E77 PolarHBondContact NH2-OE2 3.23Å; I71-E77 WeakPolarHBondContact O-CA 3.46Å; R72-E77 WeakPolarHBondContact CB-OE1 3.2Å; R72-E77 VanDerWaalsContact CD-OE1 3.26Å; R72-E77 WeakPolarHBondContact CD-OE1 3.28Å; R72-E77 VanDerWaalsContact CG-OE1 3.32Å; R72-E77 WeakPolarHBondContact CG-OE1 3.46Å; R72-E77 IonicContact CZ-OE1 3.8Å; R72-E77 IonicContact NE-OE1 3.91Å; R72-E77 VanDerWaalsContact NH1-CD 3.32Å; R72-E77 IonicContact NH1-OE1 2.91Å; R72-E77 PolarHBondContact NH1-OE1 3.03Å; R72-E77 IonicContact NH1-OE2 3.1Å; R72-E77 PolarHBondContact NH1-OE2 2.57Å; R72-E77 VanDerWaalsContact NH1-OE2 3.1Å; E77-M79 HydrophobicContact CG-CG 4.34Å; E77-I91 WeakPolarHBondContact O-CA 3.24Å; E77-Q92 HydrophobicContact CB-CB 4.47Å; E77-Q92 PolarHBondContact N-O 3.33Å; E77-Q92 PolarHBondContact O-N 2.95Å; E77-P94 HydrophobicContact CB-CB 4.26Å
78I97.8Very high95.9Very high23 Ų2378.6 Ų78.612%0.11836%0.362CS..EExtended strand (participates in β ladder)trans-105.8125.6177.7-55.2176.1000107.9Y42 L46 R70 I71 V80 I89 V90 I91Y42-I78 HydrophobicContact CD2-CD1 4.43Å; Y42-I78 HydrophobicContact CE2-CD1 3.99Å; L46-I78 HydrophobicContact CD1-CG2 3.83Å; L46-I78 HydrophobicContact CD2-CG2 3.98Å; R70-I78 CarbonylContact C-O 3.56Å; R70-I78 WeakPolarHBondContact CA-O 3.31Å; I71-I78 HydrophobicContact CB-CB 4.39Å; I71-I78 HydrophobicContact CD1-CB 4.31Å; I71-I78 HydrophobicContact CD1-CG2 4.36Å; I71-I78 PolarHBondContact N-O 3.11Å; I71-I78 PolarHBondContact O-N 3.05Å; I78-V80 HydrophobicContact CG2-CG2 4.02Å; I78-I89 HydrophobicContact CG2-CG2 4.1Å; I78-V90 WeakPolarHBondContact CA-O 3.48Å; I78-I91 HydrophobicContact CG1-CG1 4.48Å; I78-I91 HydrophobicContact CG1-CG2 4.36Å
79M98.1Very high95.9Very high51 Ų5174.4 Ų74.425%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-116.7121.3-179.3-79.3170.680.100107.9F68 R70 E77 I89 V90F68-M79 HydrophobicContact CE1-CB 4.21Å; F68-M79 HydrophobicContact CE1-CE 3.98Å; F68-M79 HydrophobicContact CE1-CG 3.98Å; F68-M79 HydrophobicContact CE2-CB 4.43Å; F68-M79 HydrophobicContact CE2-CE 4.46Å; F68-M79 HydrophobicContact CZ-CB 3.58Å; F68-M79 HydrophobicContact CZ-CE 3.43Å; F68-M79 VanDerWaalsContact CZ-CE 3.43Å; F68-M79 HydrophobicContact CZ-CG 3.71Å; F68-M79 HydrophobicContact CZ-SD 4.39Å; R70-M79 HydrophobicContact CG-CG 4.31Å; E77-M79 HydrophobicContact CG-CG 4.34Å; M79-I89 CarbonylContact O-C 3.56Å; M79-I89 WeakPolarHBondContact O-CA 3.37Å; M79-V90 HydrophobicContact CB-CB 4.29Å; M79-V90 PolarHBondContact N-O 3.35Å; M79-V90 PolarHBondContact O-N 3.05Å
80V98.2Very high95.9Very high0 Ų073.6 Ų73.60%034%0.34CS..EExtended strand (participates in β ladder)trans-121.2116.6-179-170.80000108.6L46 L69 I71 I78 P82 L87 L88 I89L46-V80 HydrophobicContact CD1-CG2 4.42Å; L46-V80 HydrophobicContact CD2-CG2 4.11Å; L69-V80 HydrophobicContact CB-CB 4.23Å; L69-V80 PolarHBondContact N-O 2.64Å; L69-V80 PolarHBondContact O-N 3.17Å; I71-V80 HydrophobicContact CD1-CG2 4.44Å; I78-V80 HydrophobicContact CG2-CG2 4.02Å; V80-P82 VanDerWaalsContact O-CD 3.29Å; V80-P82 WeakPolarHBondContact O-CD 3.48Å; V80-L87 HydrophobicContact CG1-CB 4.39Å; V80-L88 CarbonylContact C-O 3.4Å; V80-L88 WeakPolarHBondContact CA-O 3.44Å; V80-I89 HydrophobicContact CB-CG1 4.42Å; V80-I89 HydrophobicContact CG1-CG1 3.9Å; V80-I89 HydrophobicContact CG2-CG1 4.12Å
81A97.2Very high95.9Very high30 Ų3067 Ų6725%0.24832%0.316CS..EExtended strand (participates in β ladder)trans-104.1100.1172.800000108.5F68 L88F68-A81 HydrophobicContact CD2-CB 3.94Å; F68-A81 HydrophobicContact CE2-CB 4.01Å; A81-L88 HydrophobicContact CB-CB 4.35Å; A81-L88 PolarHBondContact N-O 2.8Å; A81-L88 PolarHBondContact O-N 3.32Å
82P96.4Very high95.9Very high18 Ų1866.2 Ų66.212%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-73.1136.4173.228.9-34.1000112T50 L66 V80 L87T50-P82 HydrophobicContact CG2-CB 3.89Å; T50-P82 HydrophobicContact CG2-CG 4.27Å; L66-P82 HydrophobicContact CD2-CG 4.26Å; L66-P82 HydrophobicContact CG-CG 4.27Å; L66-P82 VanDerWaalsContact O-CG 3.29Å; L66-P82 WeakPolarHBondContact O-CG 3.26Å; V80-P82 VanDerWaalsContact O-CD 3.29Å; V80-P82 WeakPolarHBondContact O-CD 3.48Å; P82-L87 HydrophobicContact CB-CD2 3.63Å
83D94.3Very high95.8Very high78 Ų7862.1 Ų62.142%0.41730%0.299SS..  trans-116.4-176.7164.4-151.2-68000109.3Y86D83-Y86 WeakPolarHBondContact CA-O 3.32Å; D83-Y86 HydrophobicContact CB-CD1 4.02Å; D83-Y86 HydrophobicContact CB-CD2 4.39Å; D83-Y86 HydrophobicContact CB-CE1 3.75Å; D83-Y86 HydrophobicContact CB-CE2 4.12Å; D83-Y86 HydrophobicContact CB-CG 4.33Å; D83-Y86 PolarHBondContact N-O 2.79Å
84K88.5Confident95.7Very high189 Ų18960 Ų6082%0.82228%0.284SS*.SBendtrans-63.5-40.5176.5-69.2-177.4179.5178.50112
85E92.5Very high95.4Very high153 Ų15355.7 Ų55.772%0.71528%0.278SS*.SBendtrans-111.4-14-170.4-62.1-173166.400113.9N24 A25N24-E85 CarbonylContact C-O 3.3Å; A25-E85 PolarHBondContact N-O 2.8Å
86Y95.2Very high94.9Very high96 Ų9654.5 Ų54.538%0.37628%0.275SS..EExtended strand (participates in β ladder)trans-151.8166.3-176.168.1-90.6000112.9V22 V23 D83 L88V22-Y86 HydrophobicContact CG1-CD2 4.27Å; V22-Y86 HydrophobicContact CG1-CG 4.48Å; V23-Y86 CarbonylContact O-C 3.57Å; V23-Y86 WeakPolarHBondContact O-CA 3.44Å; V23-Y86 VanDerWaalsContact O-CB 3.3Å; V23-Y86 WeakPolarHBondContact O-CB 3.09Å; D83-Y86 WeakPolarHBondContact CA-O 3.32Å; D83-Y86 HydrophobicContact CB-CD1 4.02Å; D83-Y86 HydrophobicContact CB-CD2 4.39Å; D83-Y86 HydrophobicContact CB-CE1 3.75Å; D83-Y86 HydrophobicContact CB-CE2 4.12Å; D83-Y86 HydrophobicContact CB-CG 4.33Å; D83-Y86 PolarHBondContact N-O 2.79Å; Y86-L88 HydrophobicContact CD2-CB 4.4Å; Y86-L88 HydrophobicContact CE2-CB 4.1Å
87L97Very high95Very high9 Ų953.8 Ų53.85%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-115.2122.6167.5-53.9179.5000108.1V22 V23 H47 T50 V80 P82 I89V22-L87 WeakPolarHBondContact CA-O 3.38Å; V23-L87 HydrophobicContact CB-CB 4.3Å; V23-L87 PolarHBondContact N-O 2.93Å; V23-L87 PolarHBondContact O-N 3.26Å; H47-L87 HydrophobicContact CB-CD1 4.12Å; T50-L87 HydrophobicContact CG2-CD2 3.88Å; V80-L87 HydrophobicContact CG1-CB 4.39Å; P82-L87 HydrophobicContact CB-CD2 3.63Å; L87-I89 HydrophobicContact CB-CD1 4.41Å; L87-I89 HydrophobicContact CB-CG1 4.45Å
88L97.5Very high94.8Very high41 Ų4156 Ų5622%0.21528%0.284CS..EExtended strand (participates in β ladder)trans-92.1123.1166.717565.5000108.5L8 I11 V22 V80 A81 Y86L8-L88 HydrophobicContact CD2-CD1 3.97Å; I11-L88 HydrophobicContact CD1-CD2 4.18Å; V22-L88 HydrophobicContact CG2-CD1 4.08Å; V80-L88 CarbonylContact C-O 3.4Å; V80-L88 WeakPolarHBondContact CA-O 3.44Å; A81-L88 HydrophobicContact CB-CB 4.35Å; A81-L88 PolarHBondContact N-O 2.8Å; A81-L88 PolarHBondContact O-N 3.32Å; Y86-L88 HydrophobicContact CD2-CB 4.4Å; Y86-L88 HydrophobicContact CE2-CB 4.1Å
89I98.1Very high94.7Very high0 Ų057.8 Ų57.80%029%0.293CS..EExtended strand (participates in β ladder)trans-120.1129.8-177.1-63.3160000108.4T20 M21 V23 L46 I78 M79 V80 L87 I91T20-I89 CarbonylContact C-O 3.53Å; T20-I89 WeakPolarHBondContact CA-O 3.4Å; M21-I89 HydrophobicContact CB-CB 4.2Å; M21-I89 HydrophobicContact CE-CB 4.38Å; M21-I89 HydrophobicContact CE-CD1 3.43Å; M21-I89 VanDerWaalsContact CE-CD1 3.43Å; M21-I89 HydrophobicContact CE-CG1 4.5Å; M21-I89 HydrophobicContact CE-CG2 4.32Å; M21-I89 PolarHBondContact N-O 3.26Å; M21-I89 PolarHBondContact O-N 2.78Å; V23-I89 HydrophobicContact CG2-CD1 3.79Å; L46-I89 HydrophobicContact CB-CD1 4.04Å; L46-I89 HydrophobicContact CD1-CD1 3.81Å; L46-I89 HydrophobicContact CD1-CG1 4.21Å; L46-I89 HydrophobicContact CD1-CG2 3.6Å; I78-I89 HydrophobicContact CG2-CG2 4.1Å; M79-I89 CarbonylContact O-C 3.56Å; M79-I89 WeakPolarHBondContact O-CA 3.37Å; V80-I89 HydrophobicContact CB-CG1 4.42Å; V80-I89 HydrophobicContact CG1-CG1 3.9Å; V80-I89 HydrophobicContact CG2-CG1 4.12Å; L87-I89 HydrophobicContact CB-CD1 4.41Å; L87-I89 HydrophobicContact CB-CG1 4.45Å; I89-I91 HydrophobicContact CG2-CG1 4.44Å
90V98.2Very high94.5Very high14 Ų1458.2 Ų58.29%0.08530%0.295CS..EExtended strand (participates in β ladder)trans-123.5133.1174.7-173.60000108.2I11 V17 T20 I78 M79 Q92I11-V90 HydrophobicContact CG2-CG1 4.18Å; I11-V90 HydrophobicContact CG2-CG2 3.92Å; V17-V90 HydrophobicContact CG1-CG1 4.02Å; V17-V90 HydrophobicContact CG2-CG1 4.06Å; T20-V90 HydrophobicContact CG2-CG1 4.48Å; T20-V90 HydrophobicContact CG2-CG2 4.46Å; I78-V90 WeakPolarHBondContact CA-O 3.48Å; M79-V90 HydrophobicContact CB-CB 4.29Å; M79-V90 PolarHBondContact N-O 3.35Å; M79-V90 PolarHBondContact O-N 3.05Å; V90-Q92 HydrophobicContact CG1-CG 3.77Å
91I97.7Very high94.3Very high6 Ų661.9 Ų61.93%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-114.2129.3175.9-50.1170.5000107I18 G19 L34 Y42 E77 I78 I89I18-I91 HydrophobicContact CD1-CB 4.46Å; I18-I91 HydrophobicContact CD1-CG2 3.64Å; I18-I91 HydrophobicContact CG1-CB 3.96Å; I18-I91 HydrophobicContact CG1-CG2 3.66Å; I18-I91 VanDerWaalsContact CG1-O 3.28Å; I18-I91 WeakPolarHBondContact CG1-O 3.49Å; I18-I91 PolarHBondContact N-O 2.85Å; G19-I91 PolarHBondContact N-O 3.28Å; G19-I91 VanDerWaalsContact N-O 3.15Å; G19-I91 PolarHBondContact O-N 3.41Å; L34-I91 HydrophobicContact CD1-CD1 3.5Å; L34-I91 HydrophobicContact CD2-CD1 4.15Å; L34-I91 HydrophobicContact CG-CD1 4.4Å; Y42-I91 HydrophobicContact CD2-CD1 3.58Å; Y42-I91 HydrophobicContact CE2-CD1 3.6Å; Y42-I91 HydrophobicContact CE2-CG1 4.49Å; E77-I91 WeakPolarHBondContact O-CA 3.24Å; I78-I91 HydrophobicContact CG1-CG1 4.48Å; I78-I91 HydrophobicContact CG1-CG2 4.36Å; I89-I91 HydrophobicContact CG2-CG1 4.44Å
92Q96.8Very high94.1Very high44 Ų4464 Ų6421%0.20632%0.318CS..EExtended strand (participates in β ladder)trans-132.1154.6-176.2-51.9-173.6-24.600111.6G16 V17 H76 E77 V90G16-Q92 CarbonylContact O-C 3.44Å; G16-Q92 WeakPolarHBondContact O-CA 3.43Å; G16-Q92 WeakPolarHBondContact O-CB 3.12Å; V17-Q92 HydrophobicContact CG2-CG 3.97Å; V17-Q92 VanDerWaalsContact CG2-NE2 3.35Å; H76-Q92 WeakPolarHBondContact CA-O 3.48Å; E77-Q92 HydrophobicContact CB-CB 4.47Å; E77-Q92 PolarHBondContact N-O 3.33Å; E77-Q92 PolarHBondContact O-N 2.95Å; V90-Q92 HydrophobicContact CG1-CG 3.77Å
93N96Very high93.9Very high54 Ų5467.3 Ų67.329%0.28933%0.333SS..  trans-79.2117165.7-178-7.8000108.7G16 I18 C95 E96G16-N93 PolarHBondContact O-N 3.18Å; I18-N93 HydrophobicContact CG2-CB 4.39Å; N93-C95 PolarHBondContact O-N 3.36Å; N93-C95 PolarHBondContact OD1-N 2.76Å; N93-C95 VanDerWaalsContact OD1-N 3.09Å; N93-E96 HydrophobicContact CB-CB 4.27Å; N93-E96 HydrophobicContact CB-CG 4.02Å; N93-E96 WeakPolarHBondContact ND2-CG 3.15Å; N93-E96 PolarHBondContact O-N 3.31Å
94P91Very high93.9Very high14 Ų1466.5 Ų66.59%0.09133%0.326CS..THydrogen-bonded Turntrans-70.7-10.5-175.530-36.3000114R72 K75 E77R72-P94 PolarHBondContact NH2-O 2.78Å; K75-P94 VanDerWaalsContact C-CD 3.41Å; K75-P94 WeakPolarHBondContact O-CD 3.5Å; E77-P94 HydrophobicContact CB-CB 4.26Å
95C89.6Confident94.3Very high108 Ų10856.3 Ų56.373%0.7329%0.285SS*.THydrogen-bonded Turntrans-99.3-1.5-179.5-61.70000113.5N93N93-C95 PolarHBondContact O-N 3.36Å; N93-C95 PolarHBondContact OD1-N 2.76Å; N93-C95 VanDerWaalsContact OD1-N 3.09Å
96E82Confident94.5Very high136 Ų13647.5 Ų47.564%0.63625%0.246SC*.  trans-99.30176.4-75.5-73.8176.600112.4K15 N93K15-E96 WeakPolarHBondContact CE-OE2 3.1Å; K15-E96 PolarHBondContact NZ-O 3.09Å; K15-E96 IonicContact NZ-OE2 2.66Å; K15-E96 PolarHBondContact NZ-OE2 2.66Å; N93-E96 HydrophobicContact CB-CB 4.27Å; N93-E96 HydrophobicContact CB-CG 4.02Å; N93-E96 WeakPolarHBondContact ND2-CG 3.15Å; N93-E96 PolarHBondContact O-N 3.31Å

Retrieved 96 of 96 residues in 21.1 ms (Link to these results)

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