A0A077YXQ2_TRITR Loading...

Trafficking protein particle complex subunit 6B

AlphaFold DB , UniProt , Accession A0A077YXQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 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
1M41.6Very low70.2Confident243 Ų243105.8 Ų105.8100%1.19755%0.551SS**  0100.50-158.8162.998.800106.1D3M1-D3 PolarHBondContact O-N 3.25Å
2T43.2Very low72.3Confident127 Ų12797.2 Ų97.278%0.77951%0.505SS*.  trans-73.6104.7-167.639.50000111.6V4T2-V4 VanDerWaalsContact O-CG2 3.3Å; T2-V4 WeakPolarHBondContact O-CG2 3.46Å; T2-V4 PolarHBondContact O-N 3.03Å
3D49.6Very low74.1Confident103 Ų10390.6 Ų90.655%0.55147%0.471SS*.  4654123.4-122.3-4.7000119.4M1 Y6M1-D3 PolarHBondContact O-N 3.25Å; D3-Y6 HydrophobicContact CB-CD2 4.42Å; D3-Y6 HydrophobicContact CB-CE2 3.65Å; D3-Y6 VanDerWaalsContact CG-OH 3.22Å; D3-Y6 WeakPolarHBondContact O-CD2 3.49Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.3Å; D3-Y6 VanDerWaalsContact OD2-CE2 3.26Å; D3-Y6 WeakPolarHBondContact OD2-CE2 3.26Å; D3-Y6 PolarHBondContact OD2-OH 2.94Å
4V53.3Low75.6Confident115 Ų11592.9 Ų92.970%0.69748%0.478SS*.  trans-94.12.8173.2-1680000112.7T2 P7T2-V4 VanDerWaalsContact O-CG2 3.3Å; T2-V4 WeakPolarHBondContact O-CG2 3.46Å; T2-V4 PolarHBondContact O-N 3.03Å; V4-P7 WeakPolarHBondContact O-CD 3.4Å
5D58.2Low77Confident72 Ų7289.3 Ų89.339%0.38546%0.46SS..  trans-94.23-171.5-64.9-42.7000115.3P7 L8 K109D5-P7 VanDerWaalsContact C-N 3.35Å; D5-L8 PolarHBondContact O-N 3.19Å; D5-K109 HydrophobicContact CB-CD 4.27Å; D5-K109 IonicContact OD2-NZ 3.17Å; D5-K109 PolarHBondContact OD2-NZ 3.02Å
6Y68.8Low78.2Confident99 Ų9983.9 Ų83.939%0.38843%0.432SS..Hα-helixtrans-52.9-40.6172.9-69.4-65.6000114.7D3 L8 Q9 Y10D3-Y6 HydrophobicContact CB-CD2 4.42Å; D3-Y6 HydrophobicContact CB-CE2 3.65Å; D3-Y6 VanDerWaalsContact CG-OH 3.22Å; D3-Y6 WeakPolarHBondContact O-CD2 3.49Å; D3-Y6 WeakPolarHBondContact OD1-CE2 3.3Å; D3-Y6 VanDerWaalsContact OD2-CE2 3.26Å; D3-Y6 WeakPolarHBondContact OD2-CE2 3.26Å; D3-Y6 PolarHBondContact OD2-OH 2.94Å; Y6-L8 VanDerWaalsContact C-N 3.29Å; Y6-L8 PolarHBondContact O-N 3.32Å; Y6-Q9 PolarHBondContact O-N 3.26Å; Y6-Y10 HydrophobicContact CD1-CD2 4.44Å; Y6-Y10 AromaticContact CD1-CE2 3.68Å; Y6-Y10 HydrophobicContact CD1-CE2 3.68Å; Y6-Y10 HydrophobicContact CG-CE2 4.14Å; Y6-Y10 WeakPolarHBondContact O-CD2 3.2Å; Y6-Y10 PolarHBondContact O-N 3.05Å
7P86.3Confident79.1Confident91 Ų9181.1 Ų81.159%0.59142%0.422SS*.Hα-helixtrans-59.4-39.2-175.5-24.635.1000113.1V4 D5 L11V4-P7 WeakPolarHBondContact O-CD 3.4Å; D5-P7 VanDerWaalsContact C-N 3.35Å; P7-L11 WeakPolarHBondContact O-CB 3.21Å; P7-L11 PolarHBondContact O-N 3Å
8L90.6Very high80Confident62 Ų6284.7 Ų84.733%0.32543%0.43SS..Hα-helixtrans-71.2-42.6-179.9178.965.8000111.7D5 Y6 H12 M85 L110D5-L8 PolarHBondContact O-N 3.19Å; Y6-L8 VanDerWaalsContact C-N 3.29Å; Y6-L8 PolarHBondContact O-N 3.32Å; L8-H12 VanDerWaalsContact O-CB 3.26Å; L8-H12 WeakPolarHBondContact O-CB 3.37Å; L8-H12 PolarHBondContact O-N 3.46Å; L8-M85 HydrophobicContact CD1-CE 4.18Å; L8-M85 HydrophobicContact CD2-CE 3.31Å; L8-M85 HydrophobicContact CG-CE 4.39Å; L8-L110 HydrophobicContact CD2-CD2 4.09Å; L8-L110 HydrophobicContact CG-CD2 3.95Å
9Q92.2Very high80.7Confident31 Ų3182.3 Ų82.315%0.14542%0.416CS..Hα-helixtrans-62.4-48.5178.1-176.5-172.638.800111Y6 H12 I13 K109 M111Y6-Q9 PolarHBondContact O-N 3.26Å; Q9-H12 WeakPolarHBondContact O-CB 3.42Å; Q9-H12 PolarHBondContact O-N 3.45Å; Q9-I13 HydrophobicContact CG-CD1 4.33Å; Q9-I13 WeakPolarHBondContact O-CG1 3.48Å; Q9-I13 PolarHBondContact O-N 2.82Å; Q9-K109 WeakPolarHBondContact CG-O 3.48Å; Q9-M111 PolarHBondContact NE2-O 2.95Å
10Y92.8Very high81.3Confident121 Ų12178.3 Ų78.348%0.47540%0.397SS..Hα-helixtrans-67.3-40.8178.2-73.3-67.9000112.3Y6 H12 I13 E14Y6-Y10 HydrophobicContact CD1-CD2 4.44Å; Y6-Y10 AromaticContact CD1-CE2 3.68Å; Y6-Y10 HydrophobicContact CD1-CE2 3.68Å; Y6-Y10 HydrophobicContact CG-CE2 4.14Å; Y6-Y10 WeakPolarHBondContact O-CD2 3.2Å; Y6-Y10 PolarHBondContact O-N 3.05Å; Y10-H12 VanDerWaalsContact C-N 3.28Å; Y10-H12 PolarHBondContact O-N 2.99Å; Y10-I13 HydrophobicContact CD1-CD1 4.16Å; Y10-I13 WeakPolarHBondContact O-CB 3.45Å; Y10-I13 PolarHBondContact O-N 3.47Å; Y10-E14 WeakPolarHBondContact O-CG 3.23Å; Y10-E14 PolarHBondContact O-N 3.44Å
11L95.5Very high81.7Confident100 Ų10079.4 Ų79.452%0.52440%0.404SS..Hα-helixtrans-59.8-41.8173.3178.761.3000111.1P7 E14 I15P7-L11 WeakPolarHBondContact O-CB 3.21Å; P7-L11 PolarHBondContact O-N 3Å; L11-E14 PolarHBondContact O-N 3.4Å; L11-I15 HydrophobicContact CD1-CD1 4.13Å; L11-I15 HydrophobicContact CD1-CG1 4.25Å; L11-I15 HydrophobicContact CD2-CD1 4.49Å; L11-I15 HydrophobicContact CG-CD1 3.84Å; L11-I15 HydrophobicContact CG-CG1 4.39Å; L11-I15 WeakPolarHBondContact O-CB 3.49Å; L11-I15 WeakPolarHBondContact O-CG1 3.24Å; L11-I15 PolarHBondContact O-N 3.26Å
12H95.8Very high83.9Confident2 Ų270.1 Ų70.11%0.00936%0.361CS..Hα-helixtrans-61.8-43.1175.7175.3-122.7000112L8 Q9 Y10 E14 I15 V16 L110 Y127 L130L8-H12 VanDerWaalsContact O-CB 3.26Å; L8-H12 WeakPolarHBondContact O-CB 3.37Å; L8-H12 PolarHBondContact O-N 3.46Å; Q9-H12 WeakPolarHBondContact O-CB 3.42Å; Q9-H12 PolarHBondContact O-N 3.45Å; Y10-H12 VanDerWaalsContact C-N 3.28Å; Y10-H12 PolarHBondContact O-N 2.99Å; H12-E14 PolarHBondContact O-N 2.92Å; H12-I15 PolarHBondContact O-N 3.09Å; H12-V16 WeakPolarHBondContact O-CG2 3.36Å; H12-V16 PolarHBondContact O-N 3.06Å; H12-L110 HydrophobicContact CB-CD2 4.11Å; H12-L110 PolarHBondContact ND1-O 3.03Å; H12-Y127 PolarHBondContact CE1-O 3.28Å; H12-Y127 PolarHBondContact NE2-O 3.43Å; H12-L130 WeakPolarHBondContact CD2-CD2 3.38Å
13I94.9Very high86Confident12 Ų1265.1 Ų65.16%0.06233%0.332CS..Hα-helixtrans-57.1-49.3174-68.1163.4000110.5Q9 Y10 I15 V16 S17 P112 F114 Y127Q9-I13 HydrophobicContact CG-CD1 4.33Å; Q9-I13 WeakPolarHBondContact O-CG1 3.48Å; Q9-I13 PolarHBondContact O-N 2.82Å; Y10-I13 HydrophobicContact CD1-CD1 4.16Å; Y10-I13 WeakPolarHBondContact O-CB 3.45Å; Y10-I13 PolarHBondContact O-N 3.47Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 3.39Å; I13-V16 PolarHBondContact O-N 3.49Å; I13-S17 PolarHBondContact O-N 3.38Å; I13-S17 PolarHBondContact O-OG 3.24Å; I13-P112 HydrophobicContact CD1-CB 3.9Å; I13-P112 HydrophobicContact CD1-CG 4.39Å; I13-P112 HydrophobicContact CG1-CB 4.09Å; I13-P112 HydrophobicContact CG1-CG 4.03Å; I13-F114 HydrophobicContact CD1-CE1 4.42Å; I13-Y127 HydrophobicContact CG1-CE1 4.21Å
14E95.7Very high87.6Confident122 Ų12264.2 Ų64.257%0.5732%0.324SS*.Hα-helixtrans-65.4-35.2180-68.3-52.9133.900113.1Y10 L11 H12 S17 Y18Y10-E14 WeakPolarHBondContact O-CG 3.23Å; Y10-E14 PolarHBondContact O-N 3.44Å; L11-E14 PolarHBondContact O-N 3.4Å; H12-E14 PolarHBondContact O-N 2.92Å; E14-S17 PolarHBondContact O-N 3.44Å; E14-Y18 VanDerWaalsContact O-CB 3.25Å; E14-Y18 WeakPolarHBondContact O-CB 3.17Å; E14-Y18 PolarHBondContact O-N 2.98Å
15I96.6Very high88.9Confident40 Ų4062.9 Ų62.921%0.20533%0.325CS..Hα-helixtrans-63.7-44.7173.9-73169000110.4L11 H12 I13 Y18 F19 L45 M48L11-I15 HydrophobicContact CD1-CD1 4.13Å; L11-I15 HydrophobicContact CD1-CG1 4.25Å; L11-I15 HydrophobicContact CD2-CD1 4.49Å; L11-I15 HydrophobicContact CG-CD1 3.84Å; L11-I15 HydrophobicContact CG-CG1 4.39Å; L11-I15 WeakPolarHBondContact O-CB 3.49Å; L11-I15 WeakPolarHBondContact O-CG1 3.24Å; L11-I15 PolarHBondContact O-N 3.26Å; H12-I15 PolarHBondContact O-N 3.09Å; I13-I15 VanDerWaalsContact C-N 3.35Å; I13-I15 PolarHBondContact O-N 3.39Å; I15-Y18 PolarHBondContact O-N 2.77Å; I15-F19 HydrophobicContact CG2-CD2 3.87Å; I15-F19 HydrophobicContact CG2-CE2 3.71Å; I15-F19 VanDerWaalsContact O-CD2 3.26Å; I15-F19 WeakPolarHBondContact O-CD2 3.38Å; I15-F19 PolarHBondContact O-N 3.2Å; I15-L45 HydrophobicContact CG2-CD2 3.66Å; I15-M48 HydrophobicContact CD1-CE 4.11Å; I15-M48 HydrophobicContact CG2-CE 3.53Å; I15-M48 HydrophobicContact CG2-SD 4.47Å
16V95.4Very high89.9Confident2 Ų264 Ų641%0.01234%0.339CS..Hα-helixtrans-61-48.4176.8172.80000109.9H12 I13 Y18 F19 S20 L45 R126 Y127H12-V16 WeakPolarHBondContact O-CG2 3.36Å; H12-V16 PolarHBondContact O-N 3.06Å; I13-V16 PolarHBondContact O-N 3.49Å; V16-Y18 PolarHBondContact O-N 3.26Å; V16-F19 PolarHBondContact O-N 3.34Å; V16-S20 PolarHBondContact O-N 3.02Å; V16-L45 HydrophobicContact CG2-CD1 3.96Å; V16-L45 HydrophobicContact CG2-CD2 4.2Å; V16-R126 HydrophobicContact CG1-CB 3.9Å; V16-Y127 HydrophobicContact CB-CD1 4.25Å; V16-Y127 HydrophobicContact CB-CE1 4Å; V16-Y127 HydrophobicContact CG1-CD1 4.21Å; V16-Y127 HydrophobicContact CG1-CE1 3.93Å; V16-Y127 HydrophobicContact CG1-CE2 4.28Å; V16-Y127 HydrophobicContact CG2-CD1 3.92Å; V16-Y127 HydrophobicContact CG2-CE1 4.17Å
17S93.7Very high89.9Confident37 Ų3764 Ų6426%0.25935%0.346SS..Hα-helixtrans-58-46.1176.3-63.10000112.2I13 E14 F19 S20 N21I13-S17 PolarHBondContact O-N 3.38Å; I13-S17 PolarHBondContact O-OG 3.24Å; E14-S17 PolarHBondContact O-N 3.44Å; S17-F19 PolarHBondContact O-N 3.41Å; S17-S20 PolarHBondContact O-N 3.14Å; S17-N21 WeakPolarHBondContact O-CB 3.37Å; S17-N21 PolarHBondContact O-N 3.28Å; S17-N21 PolarHBondContact O-ND2 3.1Å
18Y95.4Very high88.7Confident146 Ų14666 Ų6657%0.57335%0.351SS*.Hα-helixtrans-57.5-50.5178.5172.4-98.4000111.6E14 I15 V16 S20 N21 V22E14-Y18 VanDerWaalsContact O-CB 3.25Å; E14-Y18 WeakPolarHBondContact O-CB 3.17Å; E14-Y18 PolarHBondContact O-N 2.98Å; I15-Y18 PolarHBondContact O-N 2.77Å; V16-Y18 PolarHBondContact O-N 3.26Å; Y18-S20 VanDerWaalsContact C-N 3.32Å; Y18-S20 PolarHBondContact O-N 2.99Å; Y18-N21 PolarHBondContact O-N 3.03Å; Y18-V22 HydrophobicContact CD1-CG2 4.49Å; Y18-V22 HydrophobicContact CD2-CG2 4.39Å; Y18-V22 HydrophobicContact CE1-CG2 4.1Å; Y18-V22 HydrophobicContact CE2-CG2 3.99Å; Y18-V22 VanDerWaalsContact O-CG2 3.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.13Å
19F94.1Very high87.2Confident38 Ų3868.7 Ų68.717%0.16737%0.373CS..Hα-helixtrans-66.5-35.1-179.8-76.3-57.3000112.7I15 V16 S17 V22 A23 V41 K44 L45I15-F19 HydrophobicContact CG2-CD2 3.87Å; I15-F19 HydrophobicContact CG2-CE2 3.71Å; I15-F19 VanDerWaalsContact O-CD2 3.26Å; I15-F19 WeakPolarHBondContact O-CD2 3.38Å; I15-F19 PolarHBondContact O-N 3.2Å; V16-F19 PolarHBondContact O-N 3.34Å; S17-F19 PolarHBondContact O-N 3.41Å; F19-V22 PolarHBondContact O-N 3.33Å; F19-A23 WeakPolarHBondContact O-CB 3.02Å; F19-A23 PolarHBondContact O-N 3.16Å; F19-V41 HydrophobicContact CB-CB 4.45Å; F19-V41 HydrophobicContact CB-CG1 3.83Å; F19-V41 HydrophobicContact CB-CG2 4.21Å; F19-V41 WeakPolarHBondContact O-CG2 3.2Å; F19-K44 HydrophobicContact CD1-CB 4.25Å; F19-K44 HydrophobicContact CD1-CD 3.6Å; F19-K44 HydrophobicContact CE1-CB 4.16Å; F19-K44 HydrophobicContact CE1-CD 3.68Å; F19-K44 HydrophobicContact CE1-CG 4.45Å; F19-K44 HydrophobicContact CG-CD 4.49Å; F19-K44 HydrophobicContact CZ-CB 4.33Å; F19-L45 HydrophobicContact CD2-CD2 3.78Å; F19-L45 HydrophobicContact CD2-CG 4.15Å; F19-L45 HydrophobicContact CE2-CD2 4.13Å
20S91.9Very high85.6Confident3 Ų371 Ų712%0.02140%0.404CS..Hα-helixtrans-66.1-44.8174.8-810000112.7V16 S17 Y18 V22 A23 E24 Q38 R126V16-S20 PolarHBondContact O-N 3.02Å; S17-S20 PolarHBondContact O-N 3.14Å; Y18-S20 VanDerWaalsContact C-N 3.32Å; Y18-S20 PolarHBondContact O-N 2.99Å; S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.24Å; S20-A23 PolarHBondContact O-N 2.9Å; S20-E24 WeakPolarHBondContact O-CG 3.47Å; S20-E24 PolarHBondContact O-N 2.87Å; S20-Q38 PolarHBondContact OG-OE1 3.39Å; S20-R126 WeakPolarHBondContact OG-CD 3.36Å; S20-R126 PolarHBondContact OG-NH1 3.04Å
21N90Very high83.9Confident102 Ų10270.8 Ų70.855%0.54541%0.411SS..Hα-helixtrans-61.5-41.2175.9-67.2-18.7000111.8S17 Y18 E24 A25S17-N21 WeakPolarHBondContact O-CB 3.37Å; S17-N21 PolarHBondContact O-N 3.28Å; S17-N21 PolarHBondContact O-ND2 3.1Å; Y18-N21 PolarHBondContact O-N 3.03Å; N21-E24 PolarHBondContact O-N 3.41Å; N21-A25 WeakPolarHBondContact O-CB 3.37Å; N21-A25 PolarHBondContact O-N 3.45Å
22V87.9Confident81.9Confident48 Ų4872.4 Ų72.429%0.29143%0.425SS..Hα-helixtrans-64.6-39.5176.3170.20000111.8Y18 F19 S20 S26Y18-V22 HydrophobicContact CD1-CG2 4.49Å; Y18-V22 HydrophobicContact CD2-CG2 4.39Å; Y18-V22 HydrophobicContact CE1-CG2 4.1Å; Y18-V22 HydrophobicContact CE2-CG2 3.99Å; Y18-V22 VanDerWaalsContact O-CG2 3.27Å; Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.13Å; F19-V22 PolarHBondContact O-N 3.33Å; S20-V22 VanDerWaalsContact C-N 3.32Å; S20-V22 PolarHBondContact O-N 3.24Å; V22-S26 PolarHBondContact O-N 2.85Å; V22-S26 PolarHBondContact O-OG 3.13Å
23A87.4Confident80.1Confident21 Ų2175.5 Ų75.517%0.17445%0.447CS..Hα-helixtrans-67.7-41177.300000111.9F19 S20 S26 N27 V41F19-A23 WeakPolarHBondContact O-CB 3.02Å; F19-A23 PolarHBondContact O-N 3.16Å; S20-A23 PolarHBondContact O-N 2.9Å; A23-S26 PolarHBondContact O-N 3.48Å; A23-N27 PolarHBondContact O-N 3.12Å; A23-V41 HydrophobicContact CB-CG2 3.61Å
24E83.4Confident78.3Confident84 Ų8481.3 Ų81.339%0.39347%0.472SS..Hα-helixtrans-66.8-41.7177.6-73.5170.8-160.200112.3S20 N21 S26 N27 Q38S20-E24 WeakPolarHBondContact O-CG 3.47Å; S20-E24 PolarHBondContact O-N 2.87Å; N21-E24 PolarHBondContact O-N 3.41Å; E24-S26 PolarHBondContact O-N 3.15Å; E24-N27 WeakPolarHBondContact O-CB 3.48Å; E24-N27 PolarHBondContact O-N 3.42Å; E24-N27 VanDerWaalsContact O-N 3.08Å; E24-Q38 PolarHBondContact OE1-NE2 2.88Å
25A81.2Confident76.6Confident87 Ų8780.9 Ų80.972%0.71947%0.47SS*.Hα-helixtrans-63.9-23.1175.200000113.4N21N21-A25 WeakPolarHBondContact O-CB 3.37Å; N21-A25 PolarHBondContact O-N 3.45Å
26S78.1Confident74.9Confident95 Ų9581.5 Ų81.566%0.66448%0.477SS*.Hα-helixtrans-82.6-16.6176.5-56.80000112.9V22 A23 E24V22-S26 PolarHBondContact O-N 2.85Å; V22-S26 PolarHBondContact O-OG 3.13Å; A23-S26 PolarHBondContact O-N 3.48Å; E24-S26 PolarHBondContact O-N 3.15Å
27N69.5Low73.6Confident101 Ų10187.3 Ų87.354%0.5450%0.502SS..SBendtrans-77.7136.3174.5-77.8-25.4000109.8A23 E24A23-N27 PolarHBondContact O-N 3.12Å; E24-N27 WeakPolarHBondContact O-CB 3.48Å; E24-N27 PolarHBondContact O-N 3.42Å; E24-N27 VanDerWaalsContact O-N 3.08Å
28N61.3Low73Confident132 Ų13286.5 Ų86.571%0.70649%0.494SS*.  trans-53.5134.3175.8-100.1-17.6000109.8G30 N31N28-G30 PolarHBondContact O-N 2.97Å; N28-N31 PolarHBondContact O-N 3.25Å
29P59Low72.7Confident119 Ų11983 Ų8377%0.77349%0.489SS*.THydrogen-bonded Turntrans-60.1-12.6-175.821.1-31.8000114V32P29-V32 VanDerWaalsContact O-CG2 3.28Å; P29-V32 WeakPolarHBondContact O-CG2 3.28Å
30G59.2Low72.5Confident79 Ų7986.7 Ų86.781%0.81451%0.51SS*.THydrogen-bonded Turntrans-83.8-4173.500000115.7N28N28-G30 PolarHBondContact O-N 2.97Å
31N55.2Low72.6Confident116 Ų11686.6 Ų86.662%0.6251%0.51SS*.  trans-124.860.1-176.3-141.24.6000111.3N28 S33N28-N31 PolarHBondContact O-N 3.25Å; N31-S33 PolarHBondContact O-N 3.07Å
32V54.6Low72.9Confident135 Ų13582.4 Ų82.482%0.81849%0.487SS*.  trans-85.658.1-177.7-164.20000110.5P29P29-V32 VanDerWaalsContact O-CG2 3.28Å; P29-V32 WeakPolarHBondContact O-CG2 3.28Å
33S57.8Low73.2Confident67 Ų6786.2 Ų86.247%0.46950%0.502SS..  trans-91.4116.7163.254.90000108.1N31 Q35N31-S33 PolarHBondContact O-N 3.07Å; S33-Q35 PolarHBondContact O-N 3.4Å
34F57.1Low73.7Confident133 Ų13390 Ų9058%0.58351%0.514SS*.  trans-59.8105.1168.4179.3-98.2000107.7P36F34-P36 HydrophobicContact CE1-CB 4.09Å; F34-P36 WeakPolarHBondContact O-CD 3.46Å
35Q60.9Low74.4Confident114 Ų11486 Ų8653%0.53350%0.496SS..  trans-96.1110171-69-162.50.300107.9S33 F37 Q38S33-Q35 PolarHBondContact O-N 3.4Å; Q35-F37 PolarHBondContact O-N 2.98Å; Q35-Q38 WeakPolarHBondContact O-CG 3.43Å
36P59.6Low75.2Confident53 Ų5383.5 Ų83.534%0.34447%0.469SS..SBendtrans-60.9-26.6176.822-30.6000111.3F34F34-P36 HydrophobicContact CE1-CB 4.09Å; F34-P36 WeakPolarHBondContact O-CD 3.46Å
37F68.5Low76.1Confident123 Ų12381.9 Ų81.954%0.53946%0.458SS..  trans-92107.7171.3-166.3-107.4000110.5Q35 P39 I42Q35-F37 PolarHBondContact O-N 2.98Å; F37-P39 HydrophobicContact CD1-CG 3.8Å; F37-P39 HydrophobicContact CE1-CB 4.09Å; F37-P39 HydrophobicContact CE1-CG 3.64Å; F37-P39 WeakPolarHBondContact O-CD 3.45Å; F37-I42 HydrophobicContact CD2-CD1 3.7Å; F37-I42 HydrophobicContact CE2-CD1 3.37Å; F37-I42 HydrophobicContact CZ-CD1 4.06Å
38Q81.3Confident77.5Confident20 Ų2079.5 Ų79.59%0.09344%0.444CS..  trans-111.392173.4-64.9178.2-1.100108.7S20 E24 Q35 L40 V41 I42S20-Q38 PolarHBondContact OG-OE1 3.39Å; E24-Q38 PolarHBondContact OE1-NE2 2.88Å; Q35-Q38 WeakPolarHBondContact O-CG 3.43Å; Q38-L40 VanDerWaalsContact C-N 3.3Å; Q38-L40 PolarHBondContact O-N 2.98Å; Q38-V41 HydrophobicContact CB-CB 3.94Å; Q38-V41 HydrophobicContact CB-CG2 3.8Å; Q38-V41 WeakPolarHBondContact O-CB 3.25Å; Q38-V41 PolarHBondContact O-N 3.4Å; Q38-V41 VanDerWaalsContact OE1-CG2 3.29Å; Q38-I42 PolarHBondContact O-N 3.1Å; Q38-I42 VanDerWaalsContact O-N 3.14Å
39P88Confident79.3Confident72 Ų7273.2 Ų73.247%0.46841%0.41SS..Hα-helixtrans-56.3-42-172.4-17.421.5000113.1F37 V41 I42 E43F37-P39 HydrophobicContact CD1-CG 3.8Å; F37-P39 HydrophobicContact CE1-CB 4.09Å; F37-P39 HydrophobicContact CE1-CG 3.64Å; F37-P39 WeakPolarHBondContact O-CD 3.45Å; P39-V41 VanDerWaalsContact C-N 3.3Å; P39-V41 PolarHBondContact O-N 2.9Å; P39-I42 PolarHBondContact O-N 3.46Å; P39-E43 WeakPolarHBondContact O-CB 3.21Å; P39-E43 PolarHBondContact O-N 3.44Å
40L90.8Very high81.1Confident116 Ų11670.7 Ų70.761%0.60739%0.39SS*.Hα-helixtrans-63.4-35.1179.6-67.8173.3000112.6Q38 K44Q38-L40 VanDerWaalsContact C-N 3.3Å; Q38-L40 PolarHBondContact O-N 2.98Å; L40-K44 WeakPolarHBondContact O-CB 3.45Å; L40-K44 WeakPolarHBondContact O-CG 3.48Å; L40-K44 PolarHBondContact O-N 3.28Å; L40-K44 VanDerWaalsContact O-N 3.1Å
41V94.5Very high83Confident1 Ų175.7 Ų75.71%0.00638%0.384CS..Hα-helixtrans-69.3-45.9176.71740000110.1F19 A23 Q38 P39 E43 K44 L45 R126F19-V41 HydrophobicContact CB-CB 4.45Å; F19-V41 HydrophobicContact CB-CG1 3.83Å; F19-V41 HydrophobicContact CB-CG2 4.21Å; F19-V41 WeakPolarHBondContact O-CG2 3.2Å; A23-V41 HydrophobicContact CB-CG2 3.61Å; Q38-V41 HydrophobicContact CB-CB 3.94Å; Q38-V41 HydrophobicContact CB-CG2 3.8Å; Q38-V41 WeakPolarHBondContact O-CB 3.25Å; Q38-V41 PolarHBondContact O-N 3.4Å; Q38-V41 VanDerWaalsContact OE1-CG2 3.29Å; P39-V41 VanDerWaalsContact C-N 3.3Å; P39-V41 PolarHBondContact O-N 2.9Å; V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.33Å; V41-K44 PolarHBondContact O-N 3.26Å; V41-L45 HydrophobicContact CG1-CD1 3.72Å; V41-L45 HydrophobicContact CG1-CG 4.41Å; V41-L45 WeakPolarHBondContact O-CB 3.36Å; V41-L45 VanDerWaalsContact O-CG 3.28Å; V41-L45 WeakPolarHBondContact O-CG 3.32Å; V41-L45 PolarHBondContact O-N 2.89Å; V41-R126 HydrophobicContact CG1-CG 4.33Å
42I95.2Very high85.1Confident14 Ų1473.1 Ų73.17%0.07237%0.37CS..Hα-helixtrans-59.4-45.5176.9-68.5170.4000110.7F37 Q38 P39 L45 E46 P125 R126 A129F37-I42 HydrophobicContact CD2-CD1 3.7Å; F37-I42 HydrophobicContact CE2-CD1 3.37Å; F37-I42 HydrophobicContact CZ-CD1 4.06Å; Q38-I42 PolarHBondContact O-N 3.1Å; Q38-I42 VanDerWaalsContact O-N 3.14Å; P39-I42 PolarHBondContact O-N 3.46Å; I42-L45 PolarHBondContact O-N 3.5Å; I42-E46 WeakPolarHBondContact O-CB 3.18Å; I42-E46 PolarHBondContact O-N 3.4Å; I42-P125 HydrophobicContact CD1-CB 4.16Å; I42-R126 HydrophobicContact CG1-CG 4.4Å; I42-A129 HydrophobicContact CB-CB 4.33Å; I42-A129 HydrophobicContact CG1-CB 4.48Å; I42-A129 HydrophobicContact CG2-CB 3.98Å
43E95.6Very high87.2Confident129 Ų12966.7 Ų66.760%0.60333%0.331SS*.Hα-helixtrans-61.8-46.2179.2-173.8-174.6172.700112.2P39 V41 L45 E46 S47P39-E43 WeakPolarHBondContact O-CB 3.21Å; P39-E43 PolarHBondContact O-N 3.44Å; V41-E43 VanDerWaalsContact C-N 3.33Å; V41-E43 PolarHBondContact O-N 3.33Å; E43-L45 PolarHBondContact O-N 3.24Å; E43-E46 PolarHBondContact O-N 2.96Å; E43-S47 VanDerWaalsContact O-CB 3.32Å; E43-S47 WeakPolarHBondContact O-CB 3.49Å; E43-S47 PolarHBondContact O-N 2.96Å
44K96.7Very high89.1Confident100 Ų10068.1 Ų68.144%0.43533%0.327SS..Hα-helixtrans-61.4-44.8177.5-76.1179.1178.5-177.80111.8F19 L40 V41 S47 M48F19-K44 HydrophobicContact CD1-CB 4.25Å; F19-K44 HydrophobicContact CD1-CD 3.6Å; F19-K44 HydrophobicContact CE1-CB 4.16Å; F19-K44 HydrophobicContact CE1-CD 3.68Å; F19-K44 HydrophobicContact CE1-CG 4.45Å; F19-K44 HydrophobicContact CG-CD 4.49Å; F19-K44 HydrophobicContact CZ-CB 4.33Å; L40-K44 WeakPolarHBondContact O-CB 3.45Å; L40-K44 WeakPolarHBondContact O-CG 3.48Å; L40-K44 PolarHBondContact O-N 3.28Å; L40-K44 VanDerWaalsContact O-N 3.1Å; V41-K44 PolarHBondContact O-N 3.26Å; K44-S47 PolarHBondContact O-N 3.38Å; K44-M48 WeakPolarHBondContact O-CB 3.32Å; K44-M48 PolarHBondContact O-N 2.9Å
45L97.9Very high91.1Very high0 Ų064.4 Ų64.40%032%0.321CS..Hα-helixtrans-64.8-44.2177.8-71.2168.3000111.7I15 V16 F19 V41 I42 E43 M48 G49 R126 A129 L130I15-L45 HydrophobicContact CG2-CD2 3.66Å; V16-L45 HydrophobicContact CG2-CD1 3.96Å; V16-L45 HydrophobicContact CG2-CD2 4.2Å; F19-L45 HydrophobicContact CD2-CD2 3.78Å; F19-L45 HydrophobicContact CD2-CG 4.15Å; F19-L45 HydrophobicContact CE2-CD2 4.13Å; V41-L45 HydrophobicContact CG1-CD1 3.72Å; V41-L45 HydrophobicContact CG1-CG 4.41Å; V41-L45 WeakPolarHBondContact O-CB 3.36Å; V41-L45 VanDerWaalsContact O-CG 3.28Å; V41-L45 WeakPolarHBondContact O-CG 3.32Å; V41-L45 PolarHBondContact O-N 2.89Å; I42-L45 PolarHBondContact O-N 3.5Å; E43-L45 PolarHBondContact O-N 3.24Å; L45-M48 HydrophobicContact CD2-CE 4.37Å; L45-M48 PolarHBondContact O-N 3.27Å; L45-G49 PolarHBondContact O-N 3.28Å; L45-R126 WeakPolarHBondContact CD1-O 3.36Å; L45-A129 HydrophobicContact CB-CB 3.58Å; L45-A129 HydrophobicContact CD1-CB 4.12Å; L45-L130 WeakPolarHBondContact O-CD1 3.44Å
46E97.8Very high92.8Very high35 Ų3559.8 Ų59.816%0.16430%0.299CS..Hα-helixtrans-61.6-43.3174.7-86.7-161.7-167.800112.1I42 E43 G49 L50 A129 R132 G133 K136I42-E46 WeakPolarHBondContact O-CB 3.18Å; I42-E46 PolarHBondContact O-N 3.4Å; E43-E46 PolarHBondContact O-N 2.96Å; E46-G49 PolarHBondContact O-N 3.26Å; E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 2.89Å; E46-A129 HydrophobicContact CG-CB 4.23Å; E46-A129 VanDerWaalsContact CG-O 3.26Å; E46-A129 WeakPolarHBondContact CG-O 3.42Å; E46-R132 HydrophobicContact CG-CB 4.29Å; E46-R132 IonicContact OE1-CZ 3.83Å; E46-R132 IonicContact OE1-NE 3.82Å; E46-R132 IonicContact OE1-NH1 3.73Å; E46-R132 PolarHBondContact OE1-NH1 3.42Å; E46-R132 IonicContact OE1-NH2 3.4Å; E46-G133 VanDerWaalsContact O-CA 3.25Å; E46-G133 WeakPolarHBondContact O-CA 3.39Å; E46-K136 IonicContact OE2-NZ 2.6Å; E46-K136 PolarHBondContact OE2-NZ 2.8Å
47S98.1Very high94.7Very high61 Ų6157.2 Ų57.243%0.42728%0.283SS..Hα-helixtrans-63.4-42.5178.8-178.30000111.8E43 K44 L50 R51E43-S47 VanDerWaalsContact O-CB 3.32Å; E43-S47 WeakPolarHBondContact O-CB 3.49Å; E43-S47 PolarHBondContact O-N 2.96Å; K44-S47 PolarHBondContact O-N 3.38Å; S47-L50 PolarHBondContact O-N 3.31Å; S47-R51 PolarHBondContact O-N 3.41Å
48M98.2Very high96Very high51 Ų5156.9 Ų56.925%0.25128%0.283SS..Hα-helixtrans-62.9-45.1173.7-170.2174.370.500111.1I15 K44 L45 L50 R51 I52 L130I15-M48 HydrophobicContact CD1-CE 4.11Å; I15-M48 HydrophobicContact CG2-CE 3.53Å; I15-M48 HydrophobicContact CG2-SD 4.47Å; K44-M48 WeakPolarHBondContact O-CB 3.32Å; K44-M48 PolarHBondContact O-N 2.9Å; L45-M48 HydrophobicContact CD2-CE 4.37Å; L45-M48 PolarHBondContact O-N 3.27Å; M48-L50 VanDerWaalsContact C-N 3.32Å; M48-L50 PolarHBondContact O-N 2.85Å; M48-R51 PolarHBondContact O-N 3.14Å; M48-I52 HydrophobicContact CG-CD1 4.04Å; M48-I52 WeakPolarHBondContact O-CG1 3.11Å; M48-I52 PolarHBondContact O-N 3.47Å; M48-L130 HydrophobicContact CB-CD1 4.28Å; M48-L130 HydrophobicContact CE-CD1 3.41Å; M48-L130 VanDerWaalsContact CE-CD1 3.41Å; M48-L130 HydrophobicContact CE-CD2 4.41Å; M48-L130 HydrophobicContact CG-CD1 4.4Å
49G98.5Very high96.8Very high0 Ų063.3 Ų63.30%031%0.306CS..Hα-helixtrans-58.9-43176.800000112.2L45 E46 R51 I52 G53 L130 G133 I134L45-G49 PolarHBondContact O-N 3.28Å; E46-G49 PolarHBondContact O-N 3.26Å; G49-R51 VanDerWaalsContact C-N 3.32Å; G49-R51 PolarHBondContact O-N 3.07Å; G49-I52 PolarHBondContact O-N 3.06Å; G49-G53 PolarHBondContact O-N 3.11Å; G49-L130 WeakPolarHBondContact CA-O 3.32Å; G49-G133 CarbonylContact C-O 3.57Å; G49-G133 CarbonylContact O-C 3.14Å; G49-I134 VanDerWaalsContact C-N 3.3Å; G49-I134 WeakPolarHBondContact O-CA 3.47Å; G49-I134 PolarHBondContact O-N 3.23Å
50L98.7Very high97.2Very high66 Ų6661.7 Ų61.735%0.34629%0.293SS..Hα-helixtrans-57.5-45.3177.8-175.3152.7000111.5E46 S47 M48 G53 Y54 G133 G137E46-L50 WeakPolarHBondContact O-CB 3.34Å; E46-L50 PolarHBondContact O-N 2.89Å; S47-L50 PolarHBondContact O-N 3.31Å; M48-L50 VanDerWaalsContact C-N 3.32Å; M48-L50 PolarHBondContact O-N 2.85Å; L50-G53 PolarHBondContact O-N 3.37Å; L50-Y54 WeakPolarHBondContact O-CB 3.43Å; L50-Y54 PolarHBondContact O-N 2.82Å; L50-G133 WeakPolarHBondContact CA-O 3.49Å; L50-G133 VanDerWaalsContact N-C 3.27Å; L50-G133 PolarHBondContact N-O 3.33Å; L50-G137 VanDerWaalsContact O-CA 3.24Å; L50-G137 WeakPolarHBondContact O-CA 3.23Å
51R98.7Very high97.4Very high184 Ų18457.6 Ų57.669%0.69427%0.274SS*.Hα-helixtrans-64.5-43.7177.3-67175.3-178.7-95.30.6112S47 M48 G49 Y54 A55S47-R51 PolarHBondContact O-N 3.41Å; M48-R51 PolarHBondContact O-N 3.14Å; G49-R51 VanDerWaalsContact C-N 3.32Å; G49-R51 PolarHBondContact O-N 3.07Å; R51-Y54 PolarHBondContact O-N 3.36Å; R51-A55 WeakPolarHBondContact O-CB 2.99Å; R51-A55 PolarHBondContact O-N 3.39Å; R51-A55 VanDerWaalsContact O-N 3.09Å
52I98.3Very high97.3Very high62 Ų6265.9 Ų65.932%0.31831%0.31SS..Hα-helixtrans-60.1-50.4177.2-67.9165.1000110.3M48 G49 Y54 A55 L56 L130 I134M48-I52 HydrophobicContact CG-CD1 4.04Å; M48-I52 WeakPolarHBondContact O-CG1 3.11Å; M48-I52 PolarHBondContact O-N 3.47Å; G49-I52 PolarHBondContact O-N 3.06Å; I52-Y54 VanDerWaalsContact C-N 3.35Å; I52-Y54 PolarHBondContact O-N 3Å; I52-A55 PolarHBondContact O-N 3.48Å; I52-L56 VanDerWaalsContact O-CB 3.26Å; I52-L56 WeakPolarHBondContact O-CB 3.3Å; I52-L56 PolarHBondContact O-N 2.91Å; I52-L130 HydrophobicContact CD1-CD1 4.12Å; I52-I134 HydrophobicContact CB-CG1 4.28Å; I52-I134 HydrophobicContact CG2-CD1 4.32Å; I52-I134 HydrophobicContact CG2-CG1 4.14Å
53G98.6Very high96.9Very high0 Ų073.8 Ų73.80%035%0.346CS..Hα-helixtrans-61.8-42-178.300000112.7G49 L50 C57 I134G49-G53 PolarHBondContact O-N 3.11Å; L50-G53 PolarHBondContact O-N 3.37Å; G53-C57 WeakPolarHBondContact O-CB 3.13Å; G53-C57 PolarHBondContact O-N 3.48Å; G53-I134 WeakPolarHBondContact CA-O 3.11Å
54Y98.6Very high96.4Very high97 Ų9771.9 Ų71.938%0.3834%0.337SS..Hα-helixtrans-62.6-52.4177.9-166.9-77.4000111.5L50 R51 I52 L56 C57 E58 G137 C140 N141L50-Y54 WeakPolarHBondContact O-CB 3.43Å; L50-Y54 PolarHBondContact O-N 2.82Å; R51-Y54 PolarHBondContact O-N 3.36Å; I52-Y54 VanDerWaalsContact C-N 3.35Å; I52-Y54 PolarHBondContact O-N 3Å; Y54-L56 PolarHBondContact O-N 3.27Å; Y54-C57 PolarHBondContact O-N 3.4Å; Y54-E58 PolarHBondContact O-N 2.83Å; Y54-G137 WeakPolarHBondContact CA-O 3.21Å; Y54-C140 HydrophobicContact CD2-CB 4.42Å; Y54-N141 HydrophobicContact CD1-CB 4.4Å; Y54-N141 WeakPolarHBondContact CD1-ND2 3.15Å; Y54-N141 HydrophobicContact CD2-CB 3.69Å; Y54-N141 WeakPolarHBondContact CE1-ND2 3.37Å; Y54-N141 HydrophobicContact CE2-CB 3.84Å; Y54-N141 HydrophobicContact CG-CB 4Å; Y54-N141 PolarHBondContact O-ND2 2.89Å
55A98.4Very high95.9Very high55 Ų5572.6 Ų72.646%0.45535%0.352SS..Hα-helixtrans-65.4-38.6-17800000112.5R51 I52 R59R51-A55 WeakPolarHBondContact O-CB 2.99Å; R51-A55 PolarHBondContact O-N 3.39Å; R51-A55 VanDerWaalsContact O-N 3.09Å; I52-A55 PolarHBondContact O-N 3.48Å; A55-R59 PolarHBondContact O-N 3.19Å
56L97.7Very high95.4Very high16 Ų1684.3 Ų84.38%0.08440%0.396CS..Hα-helixtrans-63.2-45.7174.9178.456.3000111I52 Y54 R59 L60 F81 M85I52-L56 VanDerWaalsContact O-CB 3.26Å; I52-L56 WeakPolarHBondContact O-CB 3.3Å; I52-L56 PolarHBondContact O-N 2.91Å; Y54-L56 PolarHBondContact O-N 3.27Å; L56-R59 PolarHBondContact O-N 2.6Å; L56-L60 HydrophobicContact CD1-CD1 3.89Å; L56-L60 HydrophobicContact CD1-CG 4.07Å; L56-L60 HydrophobicContact CG-CD1 3.91Å; L56-L60 HydrophobicContact CG-CG 4.47Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.17Å; L56-L60 PolarHBondContact O-N 3.25Å; L56-F81 HydrophobicContact CB-CE2 3.95Å; L56-F81 HydrophobicContact CB-CZ 4.41Å; L56-F81 HydrophobicContact CD2-CD2 4.24Å; L56-F81 HydrophobicContact CD2-CE1 4.31Å; L56-F81 HydrophobicContact CD2-CE2 3.7Å; L56-F81 HydrophobicContact CD2-CZ 3.74Å; L56-F81 HydrophobicContact CG-CD2 4.17Å; L56-F81 HydrophobicContact CG-CE2 3.69Å; L56-F81 HydrophobicContact CG-CZ 4.22Å; L56-M85 HydrophobicContact CD2-CB 4.07Å; L56-M85 HydrophobicContact CD2-CG 4.35Å; L56-M85 HydrophobicContact CD2-SD 3.68Å
57C97.7Very high95.1Very high0 Ų084.8 Ų84.80%040%0.399CS..Hα-helixtrans-63.1-46.5-179.9-168.60000111.4G53 Y54 R59 L60 T61 F81 A138 N141 L142G53-C57 WeakPolarHBondContact O-CB 3.13Å; G53-C57 PolarHBondContact O-N 3.48Å; Y54-C57 PolarHBondContact O-N 3.4Å; C57-R59 VanDerWaalsContact C-N 3.26Å; C57-R59 PolarHBondContact O-N 3.24Å; C57-L60 PolarHBondContact O-N 3.42Å; C57-T61 PolarHBondContact O-N 2.93Å; C57-T61 PolarHBondContact O-OG1 2.96Å; C57-F81 HydrophobicContact CB-CD2 4.34Å; C57-F81 HydrophobicContact CB-CE2 4.07Å; C57-A138 HydrophobicContact CB-CB 4.17Å; C57-N141 HydrophobicContact CB-CB 3.87Å; C57-N141 PolarHBondContact SG-OD1 3.21Å; C57-N141 VanDerWaalsContact SG-OD1 3.39Å; C57-L142 VanDerWaalsContact SG-CG 3.53Å
58E97Very high94.5Very high115 Ų11586.2 Ų86.254%0.53742%0.415SS..Hα-helixtrans-53.3-44175.8-173.7176-113.100112Y54 K62 N141Y54-E58 PolarHBondContact O-N 2.83Å; E58-K62 PolarHBondContact O-N 2.72Å; E58-N141 PolarHBondContact N-OD1 3.21Å
59R96.8Very high94.3Very high155 Ų15586.2 Ų86.259%0.58542%0.42SS*.Hα-helixtrans-65.9-40177.1-177.1175.461.175.8-5.3112.5A55 L56 C57A55-R59 PolarHBondContact O-N 3.19Å; L56-R59 PolarHBondContact O-N 2.6Å; C57-R59 VanDerWaalsContact C-N 3.26Å; C57-R59 PolarHBondContact O-N 3.24Å
60L96.5Very high94.1Very high38 Ų3890.2 Ų90.220%0.19944%0.438CS..Hα-helixtrans-77.2-27-175.7-70175.9000113.3L56 C57 F76 F81L56-L60 HydrophobicContact CD1-CD1 3.89Å; L56-L60 HydrophobicContact CD1-CG 4.07Å; L56-L60 HydrophobicContact CG-CD1 3.91Å; L56-L60 HydrophobicContact CG-CG 4.47Å; L56-L60 VanDerWaalsContact O-CG 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.17Å; L56-L60 PolarHBondContact O-N 3.25Å; C57-L60 PolarHBondContact O-N 3.42Å; L60-F76 HydrophobicContact CB-CE2 4.41Å; L60-F76 HydrophobicContact CB-CZ 3.87Å; L60-F76 HydrophobicContact CD1-CZ 4.36Å; L60-F81 HydrophobicContact CD1-CB 4.38Å; L60-F81 HydrophobicContact CD1-CD2 3.97Å; L60-F81 HydrophobicContact CD1-CG 4.49Å
61T95.5Very high94Very high31 Ų3190.1 Ų90.119%0.1944%0.438CS..Hα-helixtrans-100.7-5.3-176.959.90000114.4C57 E63 Q64 M67 F76 L142C57-T61 PolarHBondContact O-N 2.93Å; C57-T61 PolarHBondContact O-OG1 2.96Å; T61-E63 PolarHBondContact O-N 2.96Å; T61-Q64 PolarHBondContact O-N 3.07Å; T61-M67 HydrophobicContact CG2-CE 4.01Å; T61-F76 HydrophobicContact CG2-CE1 3.94Å; T61-F76 HydrophobicContact CG2-CE2 4.11Å; T61-F76 HydrophobicContact CG2-CZ 3.57Å; T61-L142 HydrophobicContact CG2-CD2 3.92Å
62K92.1Very high93.9Very high175 Ų17585.5 Ų85.576%0.76142%0.424SS*.THydrogen-bonded Turntrans-46.9-39.2-177.7-174.5176.8178.3-176.30114.7E58E58-K62 PolarHBondContact O-N 2.72Å
63E87.3Confident93.8Very high180 Ų18083.3 Ų83.384%0.84141%0.413SS*.THydrogen-bonded Turntrans-115.79.9-179.2-58.2-162.2168.500113.3T61T61-E63 PolarHBondContact O-N 2.96Å
64Q84.8Confident93.8Very high88 Ų8883.3 Ų83.341%0.41141%0.413SS..SBendtrans-87.2145.4178.4-65.9-149.3-3.500111.5T61T61-Q64 PolarHBondContact O-N 3.07Å
65P87.1Confident93.7Very high115 Ų11584.2 Ų84.275%0.74742%0.419SS*.PPolyproline II helixtrans-52.5145166-23.333.3000110.7M67P65-M67 PolarHBondContact O-N 3.31Å
66R87.3Confident93.6Very high246 Ų24681.9 Ų81.993%0.92840%0.398SS*.PPolyproline II helixtrans-58.7130.4173.4-74.5-175179.8176.6-0.3109.4
67M90.5Very high93.6Very high46 Ų4681.1 Ų81.123%0.22739%0.394CS..PPolyproline II helixtrans-68.8130.3172.4-63.4167.2-153.400108.6T61 P65 E72 I73 F76 L142T61-M67 HydrophobicContact CG2-CE 4.01Å; P65-M67 PolarHBondContact O-N 3.31Å; M67-E72 HydrophobicContact CB-CB 4.05Å; M67-E72 HydrophobicContact CG-CB 4.43Å; M67-I73 HydrophobicContact CB-CG1 3.87Å; M67-I73 HydrophobicContact CG-CG1 4.46Å; M67-I73 HydrophobicContact SD-CB 4.28Å; M67-I73 HydrophobicContact SD-CG1 3.76Å; M67-F76 HydrophobicContact CE-CB 3.49Å; M67-F76 VanDerWaalsContact CE-CB 3.49Å; M67-F76 HydrophobicContact CE-CD1 3.57Å; M67-F76 HydrophobicContact CE-CD2 3.44Å; M67-F76 VanDerWaalsContact CE-CD2 3.44Å; M67-F76 HydrophobicContact CE-CE1 4.11Å; M67-F76 HydrophobicContact CE-CE2 4Å; M67-F76 HydrophobicContact CE-CG 3.19Å; M67-F76 HydrophobicContact CE-CZ 4.31Å; M67-F76 HydrophobicContact SD-CB 3.65Å; M67-F76 HydrophobicContact SD-CD1 4.23Å; M67-F76 HydrophobicContact SD-CG 3.97Å; M67-L142 HydrophobicContact CE-CD2 4.36Å; M67-L142 HydrophobicContact SD-CD2 4.45Å
68A86.9Confident93.7Very high91 Ų9181.6 Ų81.675%0.75240%0.397SS*.  trans-87.9-13-170.700000113.2E72A68-E72 PolarHBondContact N-OE2 3.35Å
69S93.4Very high93.7Very high51 Ų5182 Ų8236%0.35739%0.394SS..SBendtrans-149160.8-17866.30000113L71 E72 I73S69-L71 PolarHBondContact O-N 2.88Å; S69-E72 WeakPolarHBondContact O-CB 3.45Å; S69-E72 PolarHBondContact O-N 2.87Å; S69-E72 VanDerWaalsContact O-N 3.13Å; S69-E72 WeakPolarHBondContact OG-CG 3.26Å; S69-E72 PolarHBondContact OG-N 2.79Å; S69-I73 PolarHBondContact O-N 3.28Å; S69-I73 VanDerWaalsContact O-N 3.1Å
70E94.7Very high93.7Very high84 Ų8476.9 Ų76.939%0.39338%0.378SS..Hα-helixtrans-54.3-42.1171.4-61.8176.8174.800112E72 I73 F74 Y101 L144 L164E70-E72 VanDerWaalsContact C-N 3.29Å; E70-E72 PolarHBondContact O-N 2.76Å; E70-I73 WeakPolarHBondContact O-CA 3.46Å; E70-I73 WeakPolarHBondContact O-CB 3.39Å; E70-I73 PolarHBondContact O-N 2.98Å; E70-I73 VanDerWaalsContact O-N 3.11Å; E70-F74 VanDerWaalsContact O-CD2 3.32Å; E70-F74 WeakPolarHBondContact O-CD2 3.25Å; E70-F74 PolarHBondContact O-N 3.42Å; E70-Y101 WeakPolarHBondContact CB-OH 3.2Å; E70-Y101 PolarHBondContact OE2-OH 3.38Å; E70-L144 HydrophobicContact CG-CD2 4.34Å; E70-L164 HydrophobicContact CB-CD1 4.41Å; E70-L164 HydrophobicContact CG-CD1 4.02Å; E70-L164 WeakPolarHBondContact OE2-CD1 3.4Å
71L95.6Very high93.7Very high64 Ų6475 Ų7534%0.33537%0.368SS..Hα-helixtrans-64.6-35.2-179.5-177.161.6000111.8S69 K75 Y101S69-L71 PolarHBondContact O-N 2.88Å; L71-K75 WeakPolarHBondContact O-CB 3.26Å; L71-K75 VanDerWaalsContact O-CG 3.28Å; L71-K75 WeakPolarHBondContact O-CG 3.36Å; L71-K75 PolarHBondContact O-N 3.01Å; L71-Y101 HydrophobicContact CD1-CE1 4.26Å
72E96.1Very high93.8Very high87 Ų8773.6 Ų73.641%0.40736%0.36SS..Hα-helixtrans-66.7-40.4172.7-75.2-177176.800111.9M67 A68 S69 E70 F74 K75 F76M67-E72 HydrophobicContact CB-CB 4.05Å; M67-E72 HydrophobicContact CG-CB 4.43Å; A68-E72 PolarHBondContact N-OE2 3.35Å; S69-E72 WeakPolarHBondContact O-CB 3.45Å; S69-E72 PolarHBondContact O-N 2.87Å; S69-E72 VanDerWaalsContact O-N 3.13Å; S69-E72 WeakPolarHBondContact OG-CG 3.26Å; S69-E72 PolarHBondContact OG-N 2.79Å; E70-E72 VanDerWaalsContact C-N 3.29Å; E70-E72 PolarHBondContact O-N 2.76Å; E72-F74 PolarHBondContact O-N 3.08Å; E72-K75 PolarHBondContact O-N 3.21Å; E72-F76 PolarHBondContact O-N 3.07Å
73I97Very high94Very high15 Ų1571.6 Ų71.68%0.07735%0.347CS..Hα-helixtrans-57.7-49.5173.3-70.9166.6000110.8M67 S69 E70 K75 F76 I77 L139 L142 L144M67-I73 HydrophobicContact CB-CG1 3.87Å; M67-I73 HydrophobicContact CG-CG1 4.46Å; M67-I73 HydrophobicContact SD-CB 4.28Å; M67-I73 HydrophobicContact SD-CG1 3.76Å; S69-I73 PolarHBondContact O-N 3.28Å; S69-I73 VanDerWaalsContact O-N 3.1Å; E70-I73 WeakPolarHBondContact O-CA 3.46Å; E70-I73 WeakPolarHBondContact O-CB 3.39Å; E70-I73 PolarHBondContact O-N 2.98Å; E70-I73 VanDerWaalsContact O-N 3.11Å; I73-K75 VanDerWaalsContact C-N 3.34Å; I73-K75 PolarHBondContact O-N 2.79Å; I73-F76 WeakPolarHBondContact O-CB 3.33Å; I73-F76 PolarHBondContact O-N 3.32Å; I73-I77 HydrophobicContact CG2-CD1 4.37Å; I73-I77 WeakPolarHBondContact O-CG1 3.2Å; I73-I77 PolarHBondContact O-N 2.93Å; I73-L139 HydrophobicContact CG2-CD2 3.93Å; I73-L142 HydrophobicContact CB-CD1 4.41Å; I73-L142 HydrophobicContact CD1-CB 4.19Å; I73-L142 HydrophobicContact CG1-CB 4.35Å; I73-L142 HydrophobicContact CG1-CD1 4.39Å; I73-L142 HydrophobicContact CG2-CB 4.18Å; I73-L142 HydrophobicContact CG2-CD1 3.53Å; I73-L142 HydrophobicContact CG2-CG 4.48Å; I73-L144 HydrophobicContact CB-CD1 4.18Å; I73-L144 HydrophobicContact CD1-CD1 3.72Å; I73-L144 HydrophobicContact CD1-CD2 4.49Å; I73-L144 HydrophobicContact CD1-CG 3.95Å; I73-L144 HydrophobicContact CG2-CD1 3.73Å
74F98Very high94.3Very high0 Ų065.6 Ų65.60%033%0.325CS..Hα-helixtrans-65.3-36.7177.9-82.9-80.8000112.6E70 E72 I77 C78 L93 Y101 I103 L139 L144 V162 L164E70-F74 VanDerWaalsContact O-CD2 3.32Å; E70-F74 WeakPolarHBondContact O-CD2 3.25Å; E70-F74 PolarHBondContact O-N 3.42Å; E72-F74 PolarHBondContact O-N 3.08Å; F74-I77 PolarHBondContact O-N 3.39Å; F74-C78 WeakPolarHBondContact O-CB 3.27Å; F74-C78 PolarHBondContact O-N 3.49Å; F74-C78 PolarHBondContact O-SG 3.46Å; F74-L93 HydrophobicContact CB-CD1 4.27Å; F74-L93 HydrophobicContact CB-CD2 3.84Å; F74-L93 HydrophobicContact CD1-CD1 4.26Å; F74-Y101 HydrophobicContact CB-CD1 4.08Å; F74-Y101 HydrophobicContact CB-CE1 4.25Å; F74-Y101 HydrophobicContact CD1-CD1 4.01Å; F74-Y101 AromaticContact CD1-CG 3.88Å; F74-Y101 HydrophobicContact CD1-CG 3.88Å; F74-Y101 AromaticContact CD2-CD1 3.53Å; F74-Y101 HydrophobicContact CD2-CD1 3.53Å; F74-Y101 AromaticContact CD2-CD2 3.71Å; F74-Y101 HydrophobicContact CD2-CD2 3.71Å; F74-Y101 AromaticContact CD2-CE1 3.53Å; F74-Y101 HydrophobicContact CD2-CE1 3.53Å; F74-Y101 AromaticContact CD2-CE2 3.71Å; F74-Y101 HydrophobicContact CD2-CE2 3.71Å; F74-Y101 AromaticContact CD2-CG 3.61Å; F74-Y101 HydrophobicContact CD2-CG 3.61Å; F74-Y101 AromaticContact CD2-CZ 3.61Å; F74-Y101 VanDerWaalsContact CE1-CB 3.49Å; F74-Y101 HydrophobicContact CE1-CD1 4.35Å; F74-Y101 HydrophobicContact CE1-CD2 4.12Å; F74-Y101 AromaticContact CE1-CG 3.75Å; F74-Y101 HydrophobicContact CE1-CG 3.75Å; F74-Y101 AromaticContact CE2-CD1 3.92Å; F74-Y101 HydrophobicContact CE2-CD1 3.92Å; F74-Y101 AromaticContact CE2-CD2 3.19Å; F74-Y101 HydrophobicContact CE2-CD2 3.19Å; F74-Y101 HydrophobicContact CE2-CE1 4.07Å; F74-Y101 AromaticContact CE2-CE2 3.37Å; F74-Y101 HydrophobicContact CE2-CE2 3.37Å; F74-Y101 AromaticContact CE2-CG 3.49Å; F74-Y101 HydrophobicContact CE2-CG 3.49Å; F74-Y101 VanDerWaalsContact CE2-CG 3.49Å; F74-Y101 AromaticContact CE2-CZ 3.8Å; F74-Y101 AromaticContact CG-CD1 3.59Å; F74-Y101 HydrophobicContact CG-CD1 3.59Å; F74-Y101 HydrophobicContact CG-CD2 4.36Å; F74-Y101 AromaticContact CG-CE1 3.94Å; F74-Y101 HydrophobicContact CG-CE1 3.94Å; F74-Y101 AromaticContact CG-CG 3.82Å; F74-Y101 HydrophobicContact CG-CG 3.82Å; F74-Y101 HydrophobicContact CZ-CD1 4.31Å; F74-Y101 AromaticContact CZ-CD2 3.43Å; F74-Y101 HydrophobicContact CZ-CD2 3.43Å; F74-Y101 VanDerWaalsContact CZ-CD2 3.43Å; F74-Y101 HydrophobicContact CZ-CE2 4.09Å; F74-Y101 AromaticContact CZ-CG 3.55Å; F74-Y101 HydrophobicContact CZ-CG 3.55Å; F74-I103 HydrophobicContact CD1-CD1 4.37Å; F74-L139 HydrophobicContact CE1-CD2 4.35Å; F74-L139 HydrophobicContact CE2-CD2 4.36Å; F74-L139 HydrophobicContact CZ-CD1 4.45Å; F74-L139 HydrophobicContact CZ-CD2 4.04Å; F74-L144 HydrophobicContact CE2-CD1 4.46Å; F74-V162 HydrophobicContact CE1-CB 4.01Å; F74-V162 HydrophobicContact CE1-CG1 3.92Å; F74-V162 HydrophobicContact CE1-CG2 4.19Å; F74-V162 HydrophobicContact CZ-CB 4.16Å; F74-V162 HydrophobicContact CZ-CG1 3.72Å; F74-L164 HydrophobicContact CE2-CD1 4.27Å; F74-L164 HydrophobicContact CE2-CD2 4.01Å; F74-L164 HydrophobicContact CE2-CG 4.37Å; F74-L164 HydrophobicContact CZ-CD2 4.02Å
75K96.8Very high94.8Very high116 Ų11663.3 Ų63.350%0.50432%0.315SS..Hα-helixtrans-62.2-43.2173.6-77.2173.5179.5177.20111.8L71 E72 I73 C78 R79L71-K75 WeakPolarHBondContact O-CB 3.26Å; L71-K75 VanDerWaalsContact O-CG 3.28Å; L71-K75 WeakPolarHBondContact O-CG 3.36Å; L71-K75 PolarHBondContact O-N 3.01Å; E72-K75 PolarHBondContact O-N 3.21Å; I73-K75 VanDerWaalsContact C-N 3.34Å; I73-K75 PolarHBondContact O-N 2.79Å; K75-C78 PolarHBondContact O-N 3.4Å; K75-R79 WeakPolarHBondContact O-CB 3.43Å; K75-R79 PolarHBondContact O-N 3.36Å; K75-R79 VanDerWaalsContact O-N 3.08Å
76F97.3Very high95.1Very high7 Ų757.9 Ų57.93%0.03128%0.28CS..Hα-helixtrans-61.1-47.1174165.8-97000111.4L60 T61 M67 E72 I73 C78 R79 D80 F81 L142L60-F76 HydrophobicContact CB-CE2 4.41Å; L60-F76 HydrophobicContact CB-CZ 3.87Å; L60-F76 HydrophobicContact CD1-CZ 4.36Å; T61-F76 HydrophobicContact CG2-CE1 3.94Å; T61-F76 HydrophobicContact CG2-CE2 4.11Å; T61-F76 HydrophobicContact CG2-CZ 3.57Å; M67-F76 HydrophobicContact CE-CB 3.49Å; M67-F76 VanDerWaalsContact CE-CB 3.49Å; M67-F76 HydrophobicContact CE-CD1 3.57Å; M67-F76 HydrophobicContact CE-CD2 3.44Å; M67-F76 VanDerWaalsContact CE-CD2 3.44Å; M67-F76 HydrophobicContact CE-CE1 4.11Å; M67-F76 HydrophobicContact CE-CE2 4Å; M67-F76 HydrophobicContact CE-CG 3.19Å; M67-F76 HydrophobicContact CE-CZ 4.31Å; M67-F76 HydrophobicContact SD-CB 3.65Å; M67-F76 HydrophobicContact SD-CD1 4.23Å; M67-F76 HydrophobicContact SD-CG 3.97Å; E72-F76 PolarHBondContact O-N 3.07Å; I73-F76 WeakPolarHBondContact O-CB 3.33Å; I73-F76 PolarHBondContact O-N 3.32Å; F76-C78 VanDerWaalsContact C-N 3.32Å; F76-C78 PolarHBondContact O-N 3.42Å; F76-R79 PolarHBondContact O-N 3.17Å; F76-D80 HydrophobicContact CD2-CB 3.64Å; F76-D80 HydrophobicContact CE2-CB 3.72Å; F76-D80 PolarHBondContact O-N 3.43Å; F76-F81 HydrophobicContact CD1-CB 4.42Å; F76-F81 HydrophobicContact CE1-CB 4Å; F76-F81 HydrophobicContact CE1-CD2 4.41Å; F76-F81 HydrophobicContact CZ-CB 4.33Å; F76-F81 PolarHBondContact O-N 3.17Å; F76-F81 VanDerWaalsContact O-N 3.1Å; F76-L142 HydrophobicContact CD1-CD1 4.01Å; F76-L142 HydrophobicContact CE1-CD1 4.21Å
77I98.1Very high95.3Very high0 Ų048.7 Ų48.70%026%0.261CS..Iπ-helixtrans-58.3-47.9178.8-73.5-172.8000110.6I73 F74 R79 W82 I103 A138 L139 L142I73-I77 HydrophobicContact CG2-CD1 4.37Å; I73-I77 WeakPolarHBondContact O-CG1 3.2Å; I73-I77 PolarHBondContact O-N 2.93Å; F74-I77 PolarHBondContact O-N 3.39Å; I77-R79 VanDerWaalsContact C-N 3.29Å; I77-R79 PolarHBondContact O-N 3.38Å; I77-W82 WeakPolarHBondContact O-CB 3.32Å; I77-W82 PolarHBondContact O-N 3.09Å; I77-I103 HydrophobicContact CG2-CD1 4.24Å; I77-A138 HydrophobicContact CD1-CB 4.12Å; I77-L139 HydrophobicContact CD1-CD2 3.44Å; I77-L139 VanDerWaalsContact CD1-CD2 3.44Å; I77-L139 HydrophobicContact CD1-CG 3.68Å; I77-L142 HydrophobicContact CD1-CD1 4.46Å; I77-L142 HydrophobicContact CG1-CD1 4.38Å
78C98.3Very high95.5Very high9 Ų948.7 Ų48.76%0.06126%0.26CS..Iπ-helixtrans-69-22.4-176.5-74.60000114.3F74 K75 F76 V90F74-C78 WeakPolarHBondContact O-CB 3.27Å; F74-C78 PolarHBondContact O-N 3.49Å; F74-C78 PolarHBondContact O-SG 3.46Å; K75-C78 PolarHBondContact O-N 3.4Å; F76-C78 VanDerWaalsContact C-N 3.32Å; F76-C78 PolarHBondContact O-N 3.42Å; C78-V90 HydrophobicContact CB-CB 4.44Å; C78-V90 HydrophobicContact CB-CG1 4.23Å; C78-V90 HydrophobicContact CB-CG2 3.37Å; C78-V90 PolarHBondContact O-N 3Å
79R97.1Very high96Very high125 Ų12548.6 Ų48.647%0.47224%0.244SC..Iπ-helixtrans-111-70.8-177179.9176.672.9-163.9-2.5112.3K75 F76 I77 R83 Q89K75-R79 WeakPolarHBondContact O-CB 3.43Å; K75-R79 PolarHBondContact O-N 3.36Å; K75-R79 VanDerWaalsContact O-N 3.08Å; F76-R79 PolarHBondContact O-N 3.17Å; I77-R79 VanDerWaalsContact C-N 3.29Å; I77-R79 PolarHBondContact O-N 3.38Å; R79-R83 WeakPolarHBondContact O-CB 3.43Å; R79-R83 PolarHBondContact O-N 3.36Å; R79-Q89 HydrophobicContact CB-CG 4.48Å; R79-Q89 HydrophobicContact CG-CG 4.07Å; R79-Q89 VanDerWaalsContact CG-OE1 3.28Å
80D96.6Very high96.2Very high46 Ų4647.1 Ų47.125%0.24623%0.232CC..Iπ-helixtrans-78.3-46.7-165.8-60.6-70.4000110.7F76 S84F76-D80 HydrophobicContact CD2-CB 3.64Å; F76-D80 HydrophobicContact CE2-CB 3.72Å; F76-D80 PolarHBondContact O-N 3.43Å; D80-S84 WeakPolarHBondContact O-CB 3.44Å; D80-S84 PolarHBondContact O-N 2.85Å
81F97.7Very high96.4Very high0 Ų048 Ų480%024%0.24CC..Iπ-helixtrans-65.1-49.9175.3-175.4-84.9000111.5L56 C57 L60 F76 R83 S84 M85 I134 A138L56-F81 HydrophobicContact CB-CE2 3.95Å; L56-F81 HydrophobicContact CB-CZ 4.41Å; L56-F81 HydrophobicContact CD2-CD2 4.24Å; L56-F81 HydrophobicContact CD2-CE1 4.31Å; L56-F81 HydrophobicContact CD2-CE2 3.7Å; L56-F81 HydrophobicContact CD2-CZ 3.74Å; L56-F81 HydrophobicContact CG-CD2 4.17Å; L56-F81 HydrophobicContact CG-CE2 3.69Å; L56-F81 HydrophobicContact CG-CZ 4.22Å; C57-F81 HydrophobicContact CB-CD2 4.34Å; C57-F81 HydrophobicContact CB-CE2 4.07Å; L60-F81 HydrophobicContact CD1-CB 4.38Å; L60-F81 HydrophobicContact CD1-CD2 3.97Å; L60-F81 HydrophobicContact CD1-CG 4.49Å; F76-F81 HydrophobicContact CD1-CB 4.42Å; F76-F81 HydrophobicContact CE1-CB 4Å; F76-F81 HydrophobicContact CE1-CD2 4.41Å; F76-F81 HydrophobicContact CZ-CB 4.33Å; F76-F81 PolarHBondContact O-N 3.17Å; F76-F81 VanDerWaalsContact O-N 3.1Å; F81-R83 VanDerWaalsContact C-N 3.33Å; F81-R83 PolarHBondContact O-N 3.23Å; F81-S84 PolarHBondContact O-N 2.98Å; F81-S84 VanDerWaalsContact O-N 3.15Å; F81-M85 PolarHBondContact O-N 2.99Å; F81-I134 HydrophobicContact CE1-CG2 3.6Å; F81-I134 HydrophobicContact CZ-CG2 3.64Å; F81-A138 HydrophobicContact CD2-CB 4.07Å; F81-A138 HydrophobicContact CE1-CB 4.26Å; F81-A138 HydrophobicContact CE2-CB 3.55Å; F81-A138 HydrophobicContact CZ-CB 3.67Å
82W97.5Very high96.5Very high1 Ų146.9 Ų46.90%0.00424%0.238CC..Hα-helixtrans-60.4-42.3179.2-144.5-105.2000111.9I77 S84 M85 F86 K88 V90 D105 F108 I135 F160I77-W82 WeakPolarHBondContact O-CB 3.32Å; I77-W82 PolarHBondContact O-N 3.09Å; W82-S84 PolarHBondContact O-N 3.18Å; W82-M85 PolarHBondContact O-N 3.36Å; W82-F86 AromaticContact CD1-CD2 3.73Å; W82-F86 AromaticContact CD2-CD2 3.55Å; W82-F86 HydrophobicContact CD2-CD2 3.55Å; W82-F86 AromaticContact CD2-CE2 3.71Å; W82-F86 HydrophobicContact CD2-CE2 3.71Å; W82-F86 AromaticContact CE2-CD2 3.41Å; W82-F86 VanDerWaalsContact CE2-CD2 3.41Å; W82-F86 AromaticContact CE2-CE2 3.58Å; W82-F86 HydrophobicContact CE3-CD2 4.17Å; W82-F86 AromaticContact CE3-CE2 3.87Å; W82-F86 HydrophobicContact CE3-CE2 3.87Å; W82-F86 AromaticContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CE2 4.39Å; W82-F86 AromaticContact CH2-CE2 3.83Å; W82-F86 HydrophobicContact CH2-CE2 3.83Å; W82-F86 AromaticContact CZ2-CD2 3.95Å; W82-F86 HydrophobicContact CZ2-CD2 3.95Å; W82-F86 AromaticContact CZ2-CE2 3.67Å; W82-F86 HydrophobicContact CZ2-CE2 3.67Å; W82-F86 AromaticContact CZ3-CE2 3.92Å; W82-F86 HydrophobicContact CZ3-CE2 3.92Å; W82-F86 AromaticContact NE1-CD2 3.51Å; W82-F86 PolarHBondContact O-N 3.44Å; W82-K88 CarbonylContact C-O 3.47Å; W82-V90 HydrophobicContact CB-CG1 4.01Å; W82-V90 HydrophobicContact CD2-CG1 3.5Å; W82-V90 HydrophobicContact CE3-CG1 4.14Å; W82-V90 HydrophobicContact CG-CG1 3.42Å; W82-V90 VanDerWaalsContact CG-CG1 3.42Å; W82-V90 HydrophobicContact CZ2-CG1 4.43Å; W82-D105 HydrophobicContact CZ2-CB 4.39Å; W82-D105 PolarHBondContact NE1-OD2 3.48Å; W82-F108 AromaticContact CH2-CE2 3.95Å; W82-F108 HydrophobicContact CH2-CE2 3.95Å; W82-F108 AromaticContact CZ2-CD2 3.79Å; W82-F108 HydrophobicContact CZ2-CD2 3.79Å; W82-F108 AromaticContact CZ2-CE2 3.49Å; W82-F108 HydrophobicContact CZ2-CE2 3.49Å; W82-F108 VanDerWaalsContact CZ2-CE2 3.49Å; W82-I135 HydrophobicContact CH2-CD1 4.14Å; W82-I135 HydrophobicContact CH2-CG1 4.47Å; W82-I135 HydrophobicContact CZ3-CD1 4.07Å; W82-I135 HydrophobicContact CZ3-CG1 3.97Å; W82-F160 HydrophobicContact CH2-CD2 4.28Å; W82-F160 AromaticContact CH2-CE2 3.88Å; W82-F160 HydrophobicContact CH2-CE2 3.88Å; W82-F160 HydrophobicContact CH2-CZ 4.29Å; W82-F160 HydrophobicContact CZ2-CE2 4.1Å
83R95.6Very high96.6Very high133 Ų13345.2 Ų45.250%0.50223%0.231SC..Hα-helixtrans-64.5-39.5175.9179.7-178.3-86.7172.1-8.1111.7R79 F81 M85 G87 K88R79-R83 WeakPolarHBondContact O-CB 3.43Å; R79-R83 PolarHBondContact O-N 3.36Å; F81-R83 VanDerWaalsContact C-N 3.33Å; F81-R83 PolarHBondContact O-N 3.23Å; R83-M85 VanDerWaalsContact C-N 3.28Å; R83-M85 PolarHBondContact O-N 3.36Å; R83-G87 WeakPolarHBondContact O-CA 3.26Å; R83-G87 PolarHBondContact O-N 3.29Å; R83-K88 WeakPolarHBondContact CA-O 3.28Å; R83-K88 PolarHBondContact N-O 3.38Å; R83-K88 VanDerWaalsContact N-O 3.07Å
84S94.8Very high96.6Very high53 Ų5351 Ų5137%0.37126%0.256SS..Hα-helixtrans-64.9-32.6177-176.50000112.7D80 F81 W82D80-S84 WeakPolarHBondContact O-CB 3.44Å; D80-S84 PolarHBondContact O-N 2.85Å; F81-S84 PolarHBondContact O-N 2.98Å; F81-S84 VanDerWaalsContact O-N 3.15Å; W82-S84 PolarHBondContact O-N 3.18Å
85M93.8Very high96.6Very high41 Ų4153 Ų5320%0.20227%0.268CS..Hα-helixtrans-90.6-39.2-176.3-165.966.6-123.800112.7L8 L56 F81 W82 R83L8-M85 HydrophobicContact CD1-CE 4.18Å; L8-M85 HydrophobicContact CD2-CE 3.31Å; L8-M85 HydrophobicContact CG-CE 4.39Å; L56-M85 HydrophobicContact CD2-CB 4.07Å; L56-M85 HydrophobicContact CD2-CG 4.35Å; L56-M85 HydrophobicContact CD2-SD 3.68Å; F81-M85 PolarHBondContact O-N 2.99Å; W82-M85 PolarHBondContact O-N 3.36Å; R83-M85 VanDerWaalsContact C-N 3.28Å; R83-M85 PolarHBondContact O-N 3.36Å
86F93.3Very high96.5Very high1 Ų150.5 Ų50.50%0.00426%0.26CS..Hα-helixtrans-122.67.9-169.7-52.6-57.8000113.1W82 K88 F108 K109 L110W82-F86 AromaticContact CD1-CD2 3.73Å; W82-F86 AromaticContact CD2-CD2 3.55Å; W82-F86 HydrophobicContact CD2-CD2 3.55Å; W82-F86 AromaticContact CD2-CE2 3.71Å; W82-F86 HydrophobicContact CD2-CE2 3.71Å; W82-F86 AromaticContact CE2-CD2 3.41Å; W82-F86 VanDerWaalsContact CE2-CD2 3.41Å; W82-F86 AromaticContact CE2-CE2 3.58Å; W82-F86 HydrophobicContact CE3-CD2 4.17Å; W82-F86 AromaticContact CE3-CE2 3.87Å; W82-F86 HydrophobicContact CE3-CE2 3.87Å; W82-F86 AromaticContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CD2 3.77Å; W82-F86 HydrophobicContact CG-CE2 4.39Å; W82-F86 AromaticContact CH2-CE2 3.83Å; W82-F86 HydrophobicContact CH2-CE2 3.83Å; W82-F86 AromaticContact CZ2-CD2 3.95Å; W82-F86 HydrophobicContact CZ2-CD2 3.95Å; W82-F86 AromaticContact CZ2-CE2 3.67Å; W82-F86 HydrophobicContact CZ2-CE2 3.67Å; W82-F86 AromaticContact CZ3-CE2 3.92Å; W82-F86 HydrophobicContact CZ3-CE2 3.92Å; W82-F86 AromaticContact NE1-CD2 3.51Å; W82-F86 PolarHBondContact O-N 3.44Å; F86-K88 HydrophobicContact CB-CG 4.45Å; F86-K88 PolarHBondContact O-N 3.07Å; F86-F108 HydrophobicContact CD2-CE2 4.41Å; F86-F108 HydrophobicContact CE1-CE2 4.2Å; F86-F108 HydrophobicContact CE1-CZ 4.49Å; F86-F108 AromaticContact CE2-CE2 3.86Å; F86-F108 HydrophobicContact CE2-CE2 3.86Å; F86-F108 AromaticContact CZ-CE2 3.74Å; F86-F108 HydrophobicContact CZ-CE2 3.74Å; F86-F108 HydrophobicContact CZ-CZ 4.07Å; F86-K109 HydrophobicContact CB-CD 4.18Å; F86-K109 HydrophobicContact CB-CG 4.37Å; F86-K109 HydrophobicContact CD1-CB 4.11Å; F86-K109 WeakPolarHBondContact O-CD 3.32Å; F86-K109 WeakPolarHBondContact O-CE 3.48Å; F86-K109 PolarHBondContact O-NZ 2.96Å; F86-L110 HydrophobicContact CE1-CD1 3.83Å; F86-L110 HydrophobicContact CE1-CD2 4.26Å; F86-L110 HydrophobicContact CE1-CG 3.68Å; F86-L110 HydrophobicContact CZ-CD1 4.11Å; F86-L110 HydrophobicContact CZ-CG 4.38Å
87G92.9Very high96.3Very high52 Ų5257.8 Ų57.854%0.53629%0.294SS..SBendtrans63.48.5178.200000114.7R83R83-G87 WeakPolarHBondContact O-CA 3.26Å; R83-G87 PolarHBondContact O-N 3.29Å
88K94.7Very high96Very high47 Ų4765.5 Ų65.520%0.20433%0.33CS..SBendtrans-143.5160.2179.572.8168.4-150.41550111.5W82 R83 F86 D91 D105W82-K88 CarbonylContact C-O 3.47Å; R83-K88 WeakPolarHBondContact CA-O 3.28Å; R83-K88 PolarHBondContact N-O 3.38Å; R83-K88 VanDerWaalsContact N-O 3.07Å; F86-K88 HydrophobicContact CB-CG 4.45Å; F86-K88 PolarHBondContact O-N 3.07Å; K88-D91 IonicContact NZ-OD1 3.18Å; K88-D91 IonicContact NZ-OD2 2.86Å; K88-D91 PolarHBondContact NZ-OD2 3.1Å; K88-D91 VanDerWaalsContact NZ-OD2 3.17Å; K88-D105 WeakPolarHBondContact CE-OD1 3.46Å; K88-D105 WeakPolarHBondContact CE-OD2 3.35Å; K88-D105 IonicContact NZ-OD1 2.71Å; K88-D105 PolarHBondContact NZ-OD1 3.33Å; K88-D105 IonicContact NZ-OD2 3.39Å
89Q96.9Very high95.9Very high88 Ų8865.8 Ų65.841%0.41133%0.334SS..  trans-82.2161.9168.3-59.7-179.966.400109.3R79R79-Q89 HydrophobicContact CB-CG 4.48Å; R79-Q89 HydrophobicContact CG-CG 4.07Å; R79-Q89 VanDerWaalsContact CG-OE1 3.28Å
90V97.8Very high95.9Very high20 Ų2062.9 Ų62.912%0.12133%0.328CS..  trans-67.2156.1169.7-53.70000110.1C78 W82 I103C78-V90 HydrophobicContact CB-CB 4.44Å; C78-V90 HydrophobicContact CB-CG1 4.23Å; C78-V90 HydrophobicContact CB-CG2 3.37Å; C78-V90 PolarHBondContact O-N 3Å; W82-V90 HydrophobicContact CB-CG1 4.01Å; W82-V90 HydrophobicContact CD2-CG1 3.5Å; W82-V90 HydrophobicContact CE3-CG1 4.14Å; W82-V90 HydrophobicContact CG-CG1 3.42Å; W82-V90 VanDerWaalsContact CG-CG1 3.42Å; W82-V90 HydrophobicContact CZ2-CG1 4.43Å; V90-I103 HydrophobicContact CB-CG2 3.89Å; V90-I103 HydrophobicContact CG1-CG2 3.49Å; V90-I103 VanDerWaalsContact CG1-CG2 3.49Å; V90-I103 HydrophobicContact CG2-CG2 4.28Å
91D97.9Very high95.9Very high102 Ų10261.2 Ų61.255%0.54532%0.318SS..SBendtrans-82-33.3-177.8-57.4-60.9000111.8K88 T104 D105 G106K88-D91 IonicContact NZ-OD1 3.18Å; K88-D91 IonicContact NZ-OD2 2.86Å; K88-D91 PolarHBondContact NZ-OD2 3.1Å; K88-D91 VanDerWaalsContact NZ-OD2 3.17Å; D91-T104 PolarHBondContact N-O 2.87Å; D91-D105 WeakPolarHBondContact OD2-CA 3.41Å; D91-G106 PolarHBondContact OD2-N 3.49Å
92S97.9Very high96Very high42 Ų4262.6 Ų62.629%0.29433%0.326SS..EExtended strand (participates in β ladder)trans-152.3141.8176.4-168.70000113.2I103 T104S92-I103 WeakPolarHBondContact O-CA 3.37Å; S92-T104 PolarHBondContact N-O 2.85Å; S92-T104 PolarHBondContact O-N 2.9Å
93L98.3Very high96Very high51 Ų5162.6 Ų62.627%0.26733%0.326SS..EExtended strand (participates in β ladder)trans-117.9123.5165.3174.664.9000108.5F74 Y101 V102 I103F74-L93 HydrophobicContact CB-CD1 4.27Å; F74-L93 HydrophobicContact CB-CD2 3.84Å; F74-L93 HydrophobicContact CD1-CD1 4.26Å; L93-Y101 HydrophobicContact CD1-CD1 4.18Å; L93-V102 WeakPolarHBondContact CA-O 3.49Å; L93-I103 HydrophobicContact CD1-CG1 4.05Å
94K98.1Very high96.2Very high138 Ų13857.4 Ų57.460%0.631%0.31SS*.EExtended strand (participates in β ladder)trans-118.5154.3170.3-60.4-178.6179.8-179.30109.9Y101 V102K94-Y101 CarbonylContact O-C 3.55Å; K94-Y101 VanDerWaalsContact O-CA 3.31Å; K94-Y101 WeakPolarHBondContact O-CA 3.45Å; K94-V102 HydrophobicContact CB-CB 4.28Å; K94-V102 PolarHBondContact N-O 3.04Å; K94-V102 PolarHBondContact O-N 2.92Å
95T97.4Very high96.3Very high40 Ų4054.9 Ų54.925%0.24529%0.292CS..EExtended strand (participates in β ladder)trans-144.5151.2173.1-179.20000110.4H97 I100 Y101T95-H97 VanDerWaalsContact C-N 3.35Å; T95-H97 PolarHBondContact OG1-N 3.39Å; T95-I100 WeakPolarHBondContact CA-O 3.26Å; T95-I100 WeakPolarHBondContact CB-O 3.4Å; T95-I100 PolarHBondContact OG1-O 2.89Å; T95-Y101 HydrophobicContact CG2-CD1 4.46Å; T95-Y101 HydrophobicContact CG2-CE1 4.21Å; T95-Y101 WeakPolarHBondContact OG1-CE1 3.37Å
96N95.4Very high96.3Very high64 Ų6454.4 Ų54.434%0.34230%0.297SS..  trans-91.84.6168.972.1-15.4000112.9Q98 I100N96-Q98 PolarHBondContact O-N 2.86Å; N96-Q98 VanDerWaalsContact O-N 3.1Å; N96-Q98 WeakPolarHBondContact OD1-CA 3.38Å; N96-Q98 PolarHBondContact OD1-N 2.76Å; N96-I100 PolarHBondContact N-O 3.02Å; N96-I100 VanDerWaalsContact N-O 3.13Å; N96-I100 WeakPolarHBondContact ND2-CD1 3.43Å; N96-I100 WeakPolarHBondContact OD1-CA 3.43Å; N96-I100 WeakPolarHBondContact OD1-CB 3.47Å; N96-I100 PolarHBondContact OD1-N 2.94Å; N96-I100 PolarHBondContact OD1-O 3.24Å
97H91.8Very high96.3Very high161 Ų16156 Ų5675%0.74532%0.315SS*.SBendtrans5915.1-174-53-77.4000114.9T95T95-H97 VanDerWaalsContact C-N 3.35Å; T95-H97 PolarHBondContact OG1-N 3.39Å
98Q93.4Very high96.3Very high161 Ų16153.9 Ų53.975%0.75229%0.29SS*.SBendtrans-128.645.4178.5-61179.6-30.700109.8N96 I100N96-Q98 PolarHBondContact O-N 2.86Å; N96-Q98 VanDerWaalsContact O-N 3.1Å; N96-Q98 WeakPolarHBondContact OD1-CA 3.38Å; N96-Q98 PolarHBondContact OD1-N 2.76Å; Q98-I100 VanDerWaalsContact C-N 3.27Å; Q98-I100 PolarHBondContact O-N 2.86Å
99G94.2Very high96.1Very high15 Ų1554.8 Ų54.816%0.15529%0.294CS..SBendtrans75.23.5176.500000116L164G99-L164 PolarHBondContact O-N 2.95Å
100I97.2Very high96Very high65 Ų6550.7 Ų50.733%0.33328%0.275SS..EExtended strand (participates in β ladder)trans-104.8127.6173.8-51.6-179.5000109.8T95 N96 Q98 V162 T163T95-I100 WeakPolarHBondContact CA-O 3.26Å; T95-I100 WeakPolarHBondContact CB-O 3.4Å; T95-I100 PolarHBondContact OG1-O 2.89Å; N96-I100 PolarHBondContact N-O 3.02Å; N96-I100 VanDerWaalsContact N-O 3.13Å; N96-I100 WeakPolarHBondContact ND2-CD1 3.43Å; N96-I100 WeakPolarHBondContact OD1-CA 3.43Å; N96-I100 WeakPolarHBondContact OD1-CB 3.47Å; N96-I100 PolarHBondContact OD1-N 2.94Å; N96-I100 PolarHBondContact OD1-O 3.24Å; Q98-I100 VanDerWaalsContact C-N 3.27Å; Q98-I100 PolarHBondContact O-N 2.86Å; I100-V162 WeakPolarHBondContact CA-O 3.13Å; I100-T163 HydrophobicContact CG1-CG2 4.33Å
101Y98.5Very high95.7Very high11 Ų1150.1 Ų50.14%0.04327%0.271CS..EExtended strand (participates in β ladder)trans-126.4142.5176.9-64.5-99000109.6E70 L71 F74 L93 K94 T95 V162 L164E70-Y101 WeakPolarHBondContact CB-OH 3.2Å; E70-Y101 PolarHBondContact OE2-OH 3.38Å; L71-Y101 HydrophobicContact CD1-CE1 4.26Å; F74-Y101 HydrophobicContact CB-CD1 4.08Å; F74-Y101 HydrophobicContact CB-CE1 4.25Å; F74-Y101 HydrophobicContact CD1-CD1 4.01Å; F74-Y101 AromaticContact CD1-CG 3.88Å; F74-Y101 HydrophobicContact CD1-CG 3.88Å; F74-Y101 AromaticContact CD2-CD1 3.53Å; F74-Y101 HydrophobicContact CD2-CD1 3.53Å; F74-Y101 AromaticContact CD2-CD2 3.71Å; F74-Y101 HydrophobicContact CD2-CD2 3.71Å; F74-Y101 AromaticContact CD2-CE1 3.53Å; F74-Y101 HydrophobicContact CD2-CE1 3.53Å; F74-Y101 AromaticContact CD2-CE2 3.71Å; F74-Y101 HydrophobicContact CD2-CE2 3.71Å; F74-Y101 AromaticContact CD2-CG 3.61Å; F74-Y101 HydrophobicContact CD2-CG 3.61Å; F74-Y101 AromaticContact CD2-CZ 3.61Å; F74-Y101 VanDerWaalsContact CE1-CB 3.49Å; F74-Y101 HydrophobicContact CE1-CD1 4.35Å; F74-Y101 HydrophobicContact CE1-CD2 4.12Å; F74-Y101 AromaticContact CE1-CG 3.75Å; F74-Y101 HydrophobicContact CE1-CG 3.75Å; F74-Y101 AromaticContact CE2-CD1 3.92Å; F74-Y101 HydrophobicContact CE2-CD1 3.92Å; F74-Y101 AromaticContact CE2-CD2 3.19Å; F74-Y101 HydrophobicContact CE2-CD2 3.19Å; F74-Y101 HydrophobicContact CE2-CE1 4.07Å; F74-Y101 AromaticContact CE2-CE2 3.37Å; F74-Y101 HydrophobicContact CE2-CE2 3.37Å; F74-Y101 AromaticContact CE2-CG 3.49Å; F74-Y101 HydrophobicContact CE2-CG 3.49Å; F74-Y101 VanDerWaalsContact CE2-CG 3.49Å; F74-Y101 AromaticContact CE2-CZ 3.8Å; F74-Y101 AromaticContact CG-CD1 3.59Å; F74-Y101 HydrophobicContact CG-CD1 3.59Å; F74-Y101 HydrophobicContact CG-CD2 4.36Å; F74-Y101 AromaticContact CG-CE1 3.94Å; F74-Y101 HydrophobicContact CG-CE1 3.94Å; F74-Y101 AromaticContact CG-CG 3.82Å; F74-Y101 HydrophobicContact CG-CG 3.82Å; F74-Y101 HydrophobicContact CZ-CD1 4.31Å; F74-Y101 AromaticContact CZ-CD2 3.43Å; F74-Y101 HydrophobicContact CZ-CD2 3.43Å; F74-Y101 VanDerWaalsContact CZ-CD2 3.43Å; F74-Y101 HydrophobicContact CZ-CE2 4.09Å; F74-Y101 AromaticContact CZ-CG 3.55Å; F74-Y101 HydrophobicContact CZ-CG 3.55Å; L93-Y101 HydrophobicContact CD1-CD1 4.18Å; K94-Y101 CarbonylContact O-C 3.55Å; K94-Y101 VanDerWaalsContact O-CA 3.31Å; K94-Y101 WeakPolarHBondContact O-CA 3.45Å; T95-Y101 HydrophobicContact CG2-CD1 4.46Å; T95-Y101 HydrophobicContact CG2-CE1 4.21Å; T95-Y101 WeakPolarHBondContact OG1-CE1 3.37Å; Y101-V162 PolarHBondContact N-O 3.25Å; Y101-V162 PolarHBondContact O-N 3.09Å; Y101-L164 HydrophobicContact CD2-CD1 4.49Å; Y101-L164 HydrophobicContact CD2-CG 4.44Å; Y101-L164 HydrophobicContact CE2-CD1 3.87Å; Y101-L164 HydrophobicContact CE2-CG 4.29Å
102V98.4Very high95.3Very high29 Ų2945.3 Ų45.318%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-126.4112.3-178175.90000108.3L93 K94 R159 F160L93-V102 WeakPolarHBondContact CA-O 3.49Å; K94-V102 HydrophobicContact CB-CB 4.28Å; K94-V102 PolarHBondContact N-O 3.04Å; K94-V102 PolarHBondContact O-N 2.92Å; V102-R159 HydrophobicContact CG1-CG 3.35Å; V102-F160 WeakPolarHBondContact CA-O 3.33Å
103I98.5Very high94.8Very high0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-99.3126.9176.8-55.3173.1000107.6F74 I77 V90 S92 L93 R159 F160 V162F74-I103 HydrophobicContact CD1-CD1 4.37Å; I77-I103 HydrophobicContact CG2-CD1 4.24Å; V90-I103 HydrophobicContact CB-CG2 3.89Å; V90-I103 HydrophobicContact CG1-CG2 3.49Å; V90-I103 VanDerWaalsContact CG1-CG2 3.49Å; V90-I103 HydrophobicContact CG2-CG2 4.28Å; S92-I103 WeakPolarHBondContact O-CA 3.37Å; L93-I103 HydrophobicContact CD1-CG1 4.05Å; I103-R159 CarbonylContact O-C 3.47Å; I103-R159 WeakPolarHBondContact O-CA 3.46Å; I103-F160 HydrophobicContact CB-CB 4.28Å; I103-F160 PolarHBondContact N-O 2.91Å; I103-F160 PolarHBondContact O-N 2.89Å; I103-V162 HydrophobicContact CD1-CG2 4.37Å
104T98.4Very high94.1Very high25 Ų2548.9 Ų48.915%0.15326%0.261CS..EExtended strand (participates in β ladder)trans-119129.6179.1-54.20000110D91 S92 V157 I158D91-T104 PolarHBondContact N-O 2.87Å; S92-T104 PolarHBondContact N-O 2.85Å; S92-T104 PolarHBondContact O-N 2.9Å; T104-V157 HydrophobicContact CG2-CG1 3.42Å; T104-V157 VanDerWaalsContact CG2-CG1 3.42Å; T104-I158 WeakPolarHBondContact CA-O 3.46Å
105D97.3Very high93.4Very high0 Ų042.6 Ų42.60%024%0.235CC..EExtended strand (participates in β ladder)trans-128.2111176.5-171.4-35.6000109.4W82 K88 D91 G107 F108 V157 I158W82-D105 HydrophobicContact CZ2-CB 4.39Å; W82-D105 PolarHBondContact NE1-OD2 3.48Å; K88-D105 WeakPolarHBondContact CE-OD1 3.46Å; K88-D105 WeakPolarHBondContact CE-OD2 3.35Å; K88-D105 IonicContact NZ-OD1 2.71Å; K88-D105 PolarHBondContact NZ-OD1 3.33Å; K88-D105 IonicContact NZ-OD2 3.39Å; D91-D105 WeakPolarHBondContact OD2-CA 3.41Å; D105-G107 VanDerWaalsContact C-N 3.31Å; D105-G107 WeakPolarHBondContact OD1-CA 3.42Å; D105-G107 PolarHBondContact OD1-N 2.53Å; D105-F108 HydrophobicContact CB-CB 4.26Å; D105-F108 HydrophobicContact CB-CD2 4.3Å; D105-F108 WeakPolarHBondContact OD1-CA 3.39Å; D105-F108 PolarHBondContact OD1-N 2.94Å; D105-F108 VanDerWaalsContact OD1-N 3.08Å; D105-V157 WeakPolarHBondContact O-CA 3.33Å; D105-I158 PolarHBondContact N-O 3.06Å; D105-I158 PolarHBondContact O-N 3.22Å
106G95.1Very high92.4Very high30 Ų3046 Ų4631%0.30925%0.252SS..THydrogen-bonded Turntrans-79.8-3.218000000115.3D91 P156D91-G106 PolarHBondContact OD2-N 3.49Å; G106-P156 WeakPolarHBondContact O-CG 3.42Å
107G91.6Very high91.4Very high36 Ų3646.8 Ų46.837%0.37126%0.259SS..THydrogen-bonded Turntrans-149.455.9-178.700000109.7D105 K109D105-G107 VanDerWaalsContact C-N 3.31Å; D105-G107 WeakPolarHBondContact OD1-CA 3.42Å; D105-G107 PolarHBondContact OD1-N 2.53Å; G107-K109 PolarHBondContact O-N 3.18Å
108F93.1Very high90.3Very high6 Ų642.8 Ų42.83%0.02626%0.261CS..  trans-71.5113.2-167.9-174.9-124.2000111.2W82 F86 D105 L110 M111 L128 S131 I158 F160W82-F108 AromaticContact CH2-CE2 3.95Å; W82-F108 HydrophobicContact CH2-CE2 3.95Å; W82-F108 AromaticContact CZ2-CD2 3.79Å; W82-F108 HydrophobicContact CZ2-CD2 3.79Å; W82-F108 AromaticContact CZ2-CE2 3.49Å; W82-F108 HydrophobicContact CZ2-CE2 3.49Å; W82-F108 VanDerWaalsContact CZ2-CE2 3.49Å; F86-F108 HydrophobicContact CD2-CE2 4.41Å; F86-F108 HydrophobicContact CE1-CE2 4.2Å; F86-F108 HydrophobicContact CE1-CZ 4.49Å; F86-F108 AromaticContact CE2-CE2 3.86Å; F86-F108 HydrophobicContact CE2-CE2 3.86Å; F86-F108 AromaticContact CZ-CE2 3.74Å; F86-F108 HydrophobicContact CZ-CE2 3.74Å; F86-F108 HydrophobicContact CZ-CZ 4.07Å; D105-F108 HydrophobicContact CB-CB 4.26Å; D105-F108 HydrophobicContact CB-CD2 4.3Å; D105-F108 WeakPolarHBondContact OD1-CA 3.39Å; D105-F108 PolarHBondContact OD1-N 2.94Å; D105-F108 VanDerWaalsContact OD1-N 3.08Å; F108-L110 VanDerWaalsContact C-N 3.27Å; F108-L110 HydrophobicContact CD1-CB 4.39Å; F108-L110 HydrophobicContact CE1-CB 3.72Å; F108-L110 HydrophobicContact CE1-CD1 4.49Å; F108-L110 HydrophobicContact CE1-CG 4.41Å; F108-L110 HydrophobicContact CZ-CB 3.93Å; F108-L110 HydrophobicContact CZ-CD1 4.02Å; F108-L110 HydrophobicContact CZ-CG 4.11Å; F108-L110 PolarHBondContact O-N 3.05Å; F108-L110 VanDerWaalsContact O-N 3.13Å; F108-M111 HydrophobicContact CB-CG 3.99Å; F108-M111 HydrophobicContact CD1-CG 3.75Å; F108-M111 HydrophobicContact CD1-SD 3.97Å; F108-M111 HydrophobicContact CG-CG 4.34Å; F108-M111 WeakPolarHBondContact O-CB 3.03Å; F108-M111 WeakPolarHBondContact O-CG 3.07Å; F108-M111 PolarHBondContact O-N 3.13Å; F108-L128 HydrophobicContact CD1-CD2 4.21Å; F108-L128 HydrophobicContact CE1-CD2 4.17Å; F108-S131 VanDerWaalsContact CZ-CB 3.41Å; F108-I158 HydrophobicContact CB-CB 4.14Å; F108-I158 HydrophobicContact CB-CG1 3.67Å; F108-I158 HydrophobicContact CD1-CB 4.45Å; F108-I158 HydrophobicContact CD1-CG1 4Å; F108-I158 HydrophobicContact CG-CB 4.41Å; F108-I158 HydrophobicContact CG-CG1 4.14Å; F108-F160 HydrophobicContact CD1-CZ 4.29Å; F108-F160 HydrophobicContact CD2-CE2 4.41Å; F108-F160 HydrophobicContact CD2-CZ 4.42Å; F108-F160 AromaticContact CE1-CZ 3.94Å; F108-F160 HydrophobicContact CE1-CZ 3.94Å; F108-F160 HydrophobicContact CE2-CE2 4.37Å; F108-F160 HydrophobicContact CE2-CZ 4.09Å; F108-F160 AromaticContact CZ-CZ 3.86Å; F108-F160 HydrophobicContact CZ-CZ 3.86Å
109K91.9Very high89.3Confident66 Ų6643 Ų4329%0.28726%0.262SS..THydrogen-bonded Turntrans-63.4-23.3-166.7-73.2-160.5174.2172.40116.1D5 Q9 F86 G107 M111D5-K109 HydrophobicContact CB-CD 4.27Å; D5-K109 IonicContact OD2-NZ 3.17Å; D5-K109 PolarHBondContact OD2-NZ 3.02Å; Q9-K109 WeakPolarHBondContact CG-O 3.48Å; F86-K109 HydrophobicContact CB-CD 4.18Å; F86-K109 HydrophobicContact CB-CG 4.37Å; F86-K109 HydrophobicContact CD1-CB 4.11Å; F86-K109 WeakPolarHBondContact O-CD 3.32Å; F86-K109 WeakPolarHBondContact O-CE 3.48Å; F86-K109 PolarHBondContact O-NZ 2.96Å; G107-K109 PolarHBondContact O-N 3.18Å; K109-M111 VanDerWaalsContact C-N 3.29Å
110L93.3Very high88.7Confident3 Ų342.5 Ų42.52%0.01626%0.255CS..THydrogen-bonded Turntrans-83.2-7.2178.4-65-176.7000113.3L8 H12 F86 F108 L130 I134L8-L110 HydrophobicContact CD2-CD2 4.09Å; L8-L110 HydrophobicContact CG-CD2 3.95Å; H12-L110 HydrophobicContact CB-CD2 4.11Å; H12-L110 PolarHBondContact ND1-O 3.03Å; F86-L110 HydrophobicContact CE1-CD1 3.83Å; F86-L110 HydrophobicContact CE1-CD2 4.26Å; F86-L110 HydrophobicContact CE1-CG 3.68Å; F86-L110 HydrophobicContact CZ-CD1 4.11Å; F86-L110 HydrophobicContact CZ-CG 4.38Å; F108-L110 VanDerWaalsContact C-N 3.27Å; F108-L110 HydrophobicContact CD1-CB 4.39Å; F108-L110 HydrophobicContact CE1-CB 3.72Å; F108-L110 HydrophobicContact CE1-CD1 4.49Å; F108-L110 HydrophobicContact CE1-CG 4.41Å; F108-L110 HydrophobicContact CZ-CB 3.93Å; F108-L110 HydrophobicContact CZ-CD1 4.02Å; F108-L110 HydrophobicContact CZ-CG 4.11Å; F108-L110 PolarHBondContact O-N 3.05Å; F108-L110 VanDerWaalsContact O-N 3.13Å; L110-L130 HydrophobicContact CD1-CD2 4.27Å; L110-I134 HydrophobicContact CD1-CD1 4.48Å
111M91.7Very high87.9Confident8 Ų847.4 Ų47.44%0.03927%0.27CS..SBendtrans-70135.1174.8-64.7-52.4-59.900110.4Q9 F108 K109 F120 L128 M155 I158Q9-M111 PolarHBondContact NE2-O 2.95Å; F108-M111 HydrophobicContact CB-CG 3.99Å; F108-M111 HydrophobicContact CD1-CG 3.75Å; F108-M111 HydrophobicContact CD1-SD 3.97Å; F108-M111 HydrophobicContact CG-CG 4.34Å; F108-M111 WeakPolarHBondContact O-CB 3.03Å; F108-M111 WeakPolarHBondContact O-CG 3.07Å; F108-M111 PolarHBondContact O-N 3.13Å; K109-M111 VanDerWaalsContact C-N 3.29Å; M111-F120 HydrophobicContact CE-CD1 4.31Å; M111-F120 HydrophobicContact CE-CE1 3.25Å; M111-F120 HydrophobicContact CE-CZ 3.64Å; M111-L128 HydrophobicContact SD-CD2 3.7Å; M111-L128 HydrophobicContact SD-CG 4.25Å; M111-M155 HydrophobicContact CE-CE 3.65Å; M111-M155 HydrophobicContact CE-SD 4.41Å; M111-I158 HydrophobicContact CE-CD1 4.18Å; M111-I158 HydrophobicContact CG-CD1 4.1Å; M111-I158 HydrophobicContact CG-CG1 3.94Å; M111-I158 HydrophobicContact SD-CD1 3.85Å; M111-I158 HydrophobicContact SD-CG1 4.06Å
112P89.9Confident87.1Confident1 Ų149.5 Ų49.51%0.00629%0.286CS..  trans-65.2148.8177.1-21.133.5000112.3I13 F114 S115 F120 Y127I13-P112 HydrophobicContact CD1-CB 3.9Å; I13-P112 HydrophobicContact CD1-CG 4.39Å; I13-P112 HydrophobicContact CG1-CB 4.09Å; I13-P112 HydrophobicContact CG1-CG 4.03Å; P112-F114 HydrophobicContact CB-CD1 3.84Å; P112-F114 HydrophobicContact CB-CD2 3.94Å; P112-F114 HydrophobicContact CB-CE1 3.45Å; P112-F114 VanDerWaalsContact CB-CE1 3.45Å; P112-F114 HydrophobicContact CB-CE2 3.57Å; P112-F114 HydrophobicContact CB-CG 4.08Å; P112-F114 HydrophobicContact CB-CZ 3.31Å; P112-F114 HydrophobicContact CG-CE1 4.4Å; P112-F114 HydrophobicContact CG-CE2 3.97Å; P112-F114 HydrophobicContact CG-CZ 3.81Å; P112-F114 PolarHBondContact O-N 3.21Å; P112-F114 VanDerWaalsContact O-N 3.1Å; P112-S115 WeakPolarHBondContact O-CB 3.49Å; P112-S115 PolarHBondContact O-N 2.64Å; P112-S115 PolarHBondContact O-OG 3.08Å; P112-F120 HydrophobicContact CB-CE2 4.42Å; P112-F120 HydrophobicContact CG-CE2 3.81Å; P112-F120 HydrophobicContact CG-CZ 3.97Å; P112-Y127 HydrophobicContact CG-CD1 3.34Å; P112-Y127 HydrophobicContact CG-CD2 4.26Å; P112-Y127 HydrophobicContact CG-CE1 3.29Å; P112-Y127 HydrophobicContact CG-CE2 4.22Å; P112-Y127 HydrophobicContact CG-CG 3.84Å
113P87.3Confident86.6Confident73 Ų7350.7 Ų50.747%0.47429%0.29SS..G310 helixtrans-58.2-27.9178.4-24.834.2000114S115P113-S115 VanDerWaalsContact C-N 3.26Å; P113-S115 PolarHBondContact O-N 3.05Å
114F84.3Confident86.3Confident94 Ų9450.8 Ų50.841%0.41229%0.29SS..G310 helixtrans-82.14.8177.553.9-99.6000113.7I13 P112 N116 T117 F120I13-F114 HydrophobicContact CD1-CE1 4.42Å; P112-F114 HydrophobicContact CB-CD1 3.84Å; P112-F114 HydrophobicContact CB-CD2 3.94Å; P112-F114 HydrophobicContact CB-CE1 3.45Å; P112-F114 VanDerWaalsContact CB-CE1 3.45Å; P112-F114 HydrophobicContact CB-CE2 3.57Å; P112-F114 HydrophobicContact CB-CG 4.08Å; P112-F114 HydrophobicContact CB-CZ 3.31Å; P112-F114 HydrophobicContact CG-CE1 4.4Å; P112-F114 HydrophobicContact CG-CE2 3.97Å; P112-F114 HydrophobicContact CG-CZ 3.81Å; P112-F114 PolarHBondContact O-N 3.21Å; P112-F114 VanDerWaalsContact O-N 3.1Å; F114-N116 PolarHBondContact O-N 3.35Å; F114-N116 VanDerWaalsContact O-N 3.09Å; F114-T117 WeakPolarHBondContact O-CG2 3.43Å; F114-T117 PolarHBondContact O-N 2.85Å; F114-T117 PolarHBondContact O-OG1 3.17Å; F114-T117 VanDerWaalsContact O-OG1 3.06Å; F114-F120 AromaticContact CD2-CD2 3.94Å; F114-F120 HydrophobicContact CD2-CD2 3.94Å; F114-F120 HydrophobicContact CD2-CE2 4.19Å; F114-F120 AromaticContact CE2-CD2 3.94Å; F114-F120 HydrophobicContact CE2-CD2 3.94Å; F114-F120 AromaticContact CE2-CE2 3.82Å; F114-F120 HydrophobicContact CE2-CE2 3.82Å
115S83.3Confident86Confident7 Ų751.7 Ų51.75%0.04930%0.297CS..G310 helixtrans-66.1-14-17667.50000114.9P112 P113 T117 F120P112-S115 WeakPolarHBondContact O-CB 3.49Å; P112-S115 PolarHBondContact O-N 2.64Å; P112-S115 PolarHBondContact O-OG 3.08Å; P113-S115 VanDerWaalsContact C-N 3.26Å; P113-S115 PolarHBondContact O-N 3.05Å; S115-T117 PolarHBondContact O-N 3.46Å; S115-F120 VanDerWaalsContact CA-CG 3.45Å; S115-F120 WeakPolarHBondContact O-CB 3.48Å
116N75.4Confident85.8Confident112 Ų11252.5 Ų52.560%0.59930%0.3SS*.G310 helixtrans-81.3-0.1179.3-65.7-12.6000112.9F114F114-N116 PolarHBondContact O-N 3.35Å; F114-N116 VanDerWaalsContact O-N 3.09Å
117T74.7Confident85.8Confident80 Ų8051.5 Ų51.549%0.49129%0.287SS..SBendtrans-77.9143.3171.864.70000110.3F114 S115 E119 F120F114-T117 WeakPolarHBondContact O-CG2 3.43Å; F114-T117 PolarHBondContact O-N 2.85Å; F114-T117 PolarHBondContact O-OG1 3.17Å; F114-T117 VanDerWaalsContact O-OG1 3.06Å; S115-T117 PolarHBondContact O-N 3.46Å; T117-E119 PolarHBondContact O-N 3.14Å; T117-E119 VanDerWaalsContact O-N 3.11Å; T117-F120 WeakPolarHBondContact O-CB 3.38Å; T117-F120 PolarHBondContact O-N 2.94Å; T117-F120 VanDerWaalsContact O-N 3.12Å
118G68.2Low86Confident76 Ų7650 Ų5078%0.78427%0.27SS*.G310 helixtrans-59.3-27-174.200000114.5F120G118-F120 VanDerWaalsContact C-N 3.34Å
119E72.7Confident86.2Confident166 Ų16649.7 Ų49.778%0.77627%0.269SS*.G310 helixtrans-77.5-19.7-177.8-64.2174.9176.300113.1T117 R121 S122T117-E119 PolarHBondContact O-N 3.14Å; T117-E119 VanDerWaalsContact O-N 3.11Å; E119-R121 PolarHBondContact O-N 3.5Å; E119-R121 VanDerWaalsContact O-N 3.14Å; E119-S122 PolarHBondContact O-N 3.1Å; E119-S122 PolarHBondContact O-OG 2.87Å
120F81.8Confident86.5Confident4 Ų447 Ų472%0.01826%0.257CS..G310 helixtrans-65-23-173.9-175.7-91.8000113.6M111 P112 F114 S115 T117 G118 S122 E123 A124 Y127 M155M111-F120 HydrophobicContact CE-CD1 4.31Å; M111-F120 HydrophobicContact CE-CE1 3.25Å; M111-F120 HydrophobicContact CE-CZ 3.64Å; P112-F120 HydrophobicContact CB-CE2 4.42Å; P112-F120 HydrophobicContact CG-CE2 3.81Å; P112-F120 HydrophobicContact CG-CZ 3.97Å; F114-F120 AromaticContact CD2-CD2 3.94Å; F114-F120 HydrophobicContact CD2-CD2 3.94Å; F114-F120 HydrophobicContact CD2-CE2 4.19Å; F114-F120 AromaticContact CE2-CD2 3.94Å; F114-F120 HydrophobicContact CE2-CD2 3.94Å; F114-F120 AromaticContact CE2-CE2 3.82Å; F114-F120 HydrophobicContact CE2-CE2 3.82Å; S115-F120 VanDerWaalsContact CA-CG 3.45Å; S115-F120 WeakPolarHBondContact O-CB 3.48Å; T117-F120 WeakPolarHBondContact O-CB 3.38Å; T117-F120 PolarHBondContact O-N 2.94Å; T117-F120 VanDerWaalsContact O-N 3.12Å; G118-F120 VanDerWaalsContact C-N 3.34Å; F120-S122 PolarHBondContact O-N 3.21Å; F120-S122 VanDerWaalsContact O-N 3.09Å; F120-E123 HydrophobicContact CD2-CB 4.43Å; F120-E123 HydrophobicContact CE2-CB 4.46Å; F120-E123 PolarHBondContact O-N 2.97Å; F120-A124 HydrophobicContact CD1-CB 3.99Å; F120-A124 HydrophobicContact CE1-CB 3.55Å; F120-A124 HydrophobicContact CZ-CB 4.38Å; F120-A124 PolarHBondContact O-N 2.89Å; F120-Y127 AromaticContact CE2-CD2 3.57Å; F120-Y127 HydrophobicContact CE2-CD2 3.57Å; F120-Y127 AromaticContact CE2-CE2 3.56Å; F120-Y127 HydrophobicContact CE2-CE2 3.56Å; F120-Y127 HydrophobicContact CE2-CG 4.3Å; F120-Y127 AromaticContact CZ-CD2 3.44Å; F120-Y127 HydrophobicContact CZ-CD2 3.44Å; F120-Y127 VanDerWaalsContact CZ-CD2 3.44Å; F120-Y127 AromaticContact CZ-CE2 3.96Å; F120-Y127 HydrophobicContact CZ-CE2 3.96Å; F120-Y127 AromaticContact CZ-CG 3.9Å; F120-Y127 HydrophobicContact CZ-CG 3.9Å; F120-M155 HydrophobicContact CD1-CE 3.51Å; F120-M155 HydrophobicContact CE1-CE 3.69Å
121R80.1Confident86.7Confident168 Ų16846.9 Ų46.963%0.63426%0.257SS*.G310 helixtrans-54.1-33177.5-78.2-172.1174.5-155.7-3.3112.8E119 E123E119-R121 PolarHBondContact O-N 3.5Å; E119-R121 VanDerWaalsContact O-N 3.14Å; R121-E123 VanDerWaalsContact C-N 3.34Å
122S82.9Confident87Confident56 Ų5648.1 Ų48.139%0.39226%0.261SS..G310 helixtrans-71.2-29.617868.20000112.9E119 F120E119-S122 PolarHBondContact O-N 3.1Å; E119-S122 PolarHBondContact O-OG 2.87Å; F120-S122 PolarHBondContact O-N 3.21Å; F120-S122 VanDerWaalsContact O-N 3.09Å
123E87.8Confident87.4Confident54 Ų5448.1 Ų48.125%0.25226%0.261SS..THydrogen-bonded Turntrans-93-24.4-178.4-54.5-161.3176.400113.8F120 R121 P125 R126 Y127F120-E123 HydrophobicContact CD2-CB 4.43Å; F120-E123 HydrophobicContact CE2-CB 4.46Å; F120-E123 PolarHBondContact O-N 2.97Å; R121-E123 VanDerWaalsContact C-N 3.34Å; E123-P125 VanDerWaalsContact C-N 3.26Å; E123-P125 WeakPolarHBondContact O-CD 3.46Å; E123-P125 VanDerWaalsContact O-N 3.08Å; E123-R126 VanDerWaalsContact CD-NH2 3.3Å; E123-R126 WeakPolarHBondContact O-CB 3.5Å; E123-R126 PolarHBondContact O-N 2.81Å; E123-R126 IonicContact OE1-NH2 3.94Å; E123-R126 IonicContact OE2-NH2 3.81Å; E123-R126 PolarHBondContact OE2-NH2 3.42Å; E123-Y127 HydrophobicContact CB-CD2 4.33Å; E123-Y127 HydrophobicContact CB-CE2 4.04Å
124A91.1Very high88Confident1 Ų144.8 Ų44.81%0.00824%0.239CC..Hα-helixtrans-48.4-37.3-175.300000114.9F120 R126 Y127 L128 I152F120-A124 HydrophobicContact CD1-CB 3.99Å; F120-A124 HydrophobicContact CE1-CB 3.55Å; F120-A124 HydrophobicContact CZ-CB 4.38Å; F120-A124 PolarHBondContact O-N 2.89Å; A124-R126 PolarHBondContact O-N 2.81Å; A124-R126 VanDerWaalsContact O-N 3.16Å; A124-Y127 PolarHBondContact O-N 3.25Å; A124-Y127 VanDerWaalsContact O-N 3.16Å; A124-L128 HydrophobicContact CB-CD1 4.36Å; A124-L128 WeakPolarHBondContact O-CB 3.32Å; A124-L128 WeakPolarHBondContact O-CG 3.37Å; A124-L128 PolarHBondContact O-N 3.07Å; A124-I152 HydrophobicContact CB-CD1 3.44Å; A124-I152 VanDerWaalsContact CB-CD1 3.44Å
125P92.6Very high88.6Confident44 Ų4440.3 Ų40.329%0.28622%0.22SC..Hα-helixtrans-54.7-33.8176.8-28.837.1000114.7I42 E123 A129 R132I42-P125 HydrophobicContact CD1-CB 4.16Å; E123-P125 VanDerWaalsContact C-N 3.26Å; E123-P125 WeakPolarHBondContact O-CD 3.46Å; E123-P125 VanDerWaalsContact O-N 3.08Å; P125-A129 PolarHBondContact O-N 3.26Å; P125-R132 PolarHBondContact O-NH2 3.03Å; P125-R132 VanDerWaalsContact O-NH2 3.07Å
126R93.6Very high89.4Confident17 Ų1742.7 Ų42.76%0.06423%0.229CC..Hα-helixtrans-70-49.7177-66.2-178.1-72.3174.7-3.4110.7V16 S20 V41 I42 L45 E123 A124 L128 A129V16-R126 HydrophobicContact CG1-CB 3.9Å; S20-R126 WeakPolarHBondContact OG-CD 3.36Å; S20-R126 PolarHBondContact OG-NH1 3.04Å; V41-R126 HydrophobicContact CG1-CG 4.33Å; I42-R126 HydrophobicContact CG1-CG 4.4Å; L45-R126 WeakPolarHBondContact CD1-O 3.36Å; E123-R126 VanDerWaalsContact CD-NH2 3.3Å; E123-R126 WeakPolarHBondContact O-CB 3.5Å; E123-R126 PolarHBondContact O-N 2.81Å; E123-R126 IonicContact OE1-NH2 3.94Å; E123-R126 IonicContact OE2-NH2 3.81Å; E123-R126 PolarHBondContact OE2-NH2 3.42Å; A124-R126 PolarHBondContact O-N 2.81Å; A124-R126 VanDerWaalsContact O-N 3.16Å; R126-L128 PolarHBondContact O-N 3.16Å; R126-A129 VanDerWaalsContact O-CB 3.32Å; R126-A129 WeakPolarHBondContact O-CB 3.34Å; R126-A129 PolarHBondContact O-N 3.12Å; R126-A129 VanDerWaalsContact O-N 3.12Å
127Y94.5Very high90.5Very high10 Ų1037.4 Ų37.44%0.03920%0.201CC..Hα-helixtrans-65.5-23.2178.2-65.8-81.7000113.6H12 I13 V16 P112 F120 E123 A124H12-Y127 PolarHBondContact CE1-O 3.28Å; H12-Y127 PolarHBondContact NE2-O 3.43Å; I13-Y127 HydrophobicContact CG1-CE1 4.21Å; V16-Y127 HydrophobicContact CB-CD1 4.25Å; V16-Y127 HydrophobicContact CB-CE1 4Å; V16-Y127 HydrophobicContact CG1-CD1 4.21Å; V16-Y127 HydrophobicContact CG1-CE1 3.93Å; V16-Y127 HydrophobicContact CG1-CE2 4.28Å; V16-Y127 HydrophobicContact CG2-CD1 3.92Å; V16-Y127 HydrophobicContact CG2-CE1 4.17Å; P112-Y127 HydrophobicContact CG-CD1 3.34Å; P112-Y127 HydrophobicContact CG-CD2 4.26Å; P112-Y127 HydrophobicContact CG-CE1 3.29Å; P112-Y127 HydrophobicContact CG-CE2 4.22Å; P112-Y127 HydrophobicContact CG-CG 3.84Å; F120-Y127 AromaticContact CE2-CD2 3.57Å; F120-Y127 HydrophobicContact CE2-CD2 3.57Å; F120-Y127 AromaticContact CE2-CE2 3.56Å; F120-Y127 HydrophobicContact CE2-CE2 3.56Å; F120-Y127 HydrophobicContact CE2-CG 4.3Å; F120-Y127 AromaticContact CZ-CD2 3.44Å; F120-Y127 HydrophobicContact CZ-CD2 3.44Å; F120-Y127 VanDerWaalsContact CZ-CD2 3.44Å; F120-Y127 AromaticContact CZ-CE2 3.96Å; F120-Y127 HydrophobicContact CZ-CE2 3.96Å; F120-Y127 AromaticContact CZ-CG 3.9Å; F120-Y127 HydrophobicContact CZ-CG 3.9Å; E123-Y127 HydrophobicContact CB-CD2 4.33Å; E123-Y127 HydrophobicContact CB-CE2 4.04Å; A124-Y127 PolarHBondContact O-N 3.25Å; A124-Y127 VanDerWaalsContact O-N 3.16Å
128L96Very high91.6Very high3 Ų333.6 Ų33.62%0.01618%0.177CC..THydrogen-bonded Turntrans-93-6.1177-67.8171.4000113.5F108 M111 A124 R126 S131 R132 T150 I152 I158F108-L128 HydrophobicContact CD1-CD2 4.21Å; F108-L128 HydrophobicContact CE1-CD2 4.17Å; M111-L128 HydrophobicContact SD-CD2 3.7Å; M111-L128 HydrophobicContact SD-CG 4.25Å; A124-L128 HydrophobicContact CB-CD1 4.36Å; A124-L128 WeakPolarHBondContact O-CB 3.32Å; A124-L128 WeakPolarHBondContact O-CG 3.37Å; A124-L128 PolarHBondContact O-N 3.07Å; R126-L128 PolarHBondContact O-N 3.16Å; L128-S131 PolarHBondContact O-OG 3.21Å; L128-R132 WeakPolarHBondContact O-CG 3.5Å; L128-R132 PolarHBondContact O-N 2.93Å; L128-R132 PolarHBondContact O-NE 3.2Å; L128-T150 HydrophobicContact CB-CG2 4.23Å; L128-I152 HydrophobicContact CD1-CD1 3.87Å; L128-I152 HydrophobicContact CD1-CG1 4.07Å; L128-I158 HydrophobicContact CD1-CG2 4.48Å; L128-I158 HydrophobicContact CD2-CD1 4.23Å; L128-I158 HydrophobicContact CD2-CG1 4.26Å; L128-I158 HydrophobicContact CD2-CG2 3.56Å
129A97Very high93Very high0 Ų030 Ų300%014%0.14CC..Hα-helixtrans-67.6-44.4-179.700000111.8I42 L45 E46 P125 R126 S131 R132 G133I42-A129 HydrophobicContact CB-CB 4.33Å; I42-A129 HydrophobicContact CG1-CB 4.48Å; I42-A129 HydrophobicContact CG2-CB 3.98Å; L45-A129 HydrophobicContact CB-CB 3.58Å; L45-A129 HydrophobicContact CD1-CB 4.12Å; E46-A129 HydrophobicContact CG-CB 4.23Å; E46-A129 VanDerWaalsContact CG-O 3.26Å; E46-A129 WeakPolarHBondContact CG-O 3.42Å; P125-A129 PolarHBondContact O-N 3.26Å; R126-A129 VanDerWaalsContact O-CB 3.32Å; R126-A129 WeakPolarHBondContact O-CB 3.34Å; R126-A129 PolarHBondContact O-N 3.12Å; R126-A129 VanDerWaalsContact O-N 3.12Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.01Å; A129-R132 PolarHBondContact O-N 2.9Å; A129-G133 PolarHBondContact O-N 2.8Å; A129-G133 VanDerWaalsContact O-N 3.09Å
130L98.1Very high94.2Very high10 Ų1025.3 Ų25.35%0.05213%0.125CC..Hα-helixtrans-58.6-46.5-180-175.167.6000111.6H12 L45 M48 G49 I52 L110 G133 I134H12-L130 WeakPolarHBondContact CD2-CD2 3.38Å; L45-L130 WeakPolarHBondContact O-CD1 3.44Å; M48-L130 HydrophobicContact CB-CD1 4.28Å; M48-L130 HydrophobicContact CE-CD1 3.41Å; M48-L130 VanDerWaalsContact CE-CD1 3.41Å; M48-L130 HydrophobicContact CE-CD2 4.41Å; M48-L130 HydrophobicContact CG-CD1 4.4Å; G49-L130 WeakPolarHBondContact CA-O 3.32Å; I52-L130 HydrophobicContact CD1-CD1 4.12Å; L110-L130 HydrophobicContact CD1-CD2 4.27Å; L130-G133 WeakPolarHBondContact O-CA 3.49Å; L130-G133 PolarHBondContact O-N 2.89Å; L130-G133 VanDerWaalsContact O-N 3.17Å; L130-I134 HydrophobicContact CD2-CD1 4.44Å; L130-I134 HydrophobicContact CG-CD1 4.05Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.26Å
131S97.7Very high94.9Very high1 Ų126.6 Ų26.61%0.00713%0.132CC..Hα-helixtrans-68.7-36.1-177.154.50000113.3F108 L128 A129 G133 I134 I135 F160F108-S131 VanDerWaalsContact CZ-CB 3.41Å; L128-S131 PolarHBondContact O-OG 3.21Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.01Å; S131-G133 VanDerWaalsContact C-N 3.31Å; S131-G133 PolarHBondContact O-N 2.79Å; S131-I134 PolarHBondContact O-N 3.08Å; S131-I135 WeakPolarHBondContact O-CG1 3.49Å; S131-I135 PolarHBondContact O-N 2.92Å; S131-F160 WeakPolarHBondContact OG-CE1 3.47Å
132R98.3Very high95.7Very high34 Ų3420.4 Ų20.413%0.12811%0.111CC..Hα-helixtrans-57.9-45.6168.5-74.3-179.1-73.8158.3-11111.4E46 P125 L128 A129 I135 K136 V148 T150E46-R132 HydrophobicContact CG-CB 4.29Å; E46-R132 IonicContact OE1-CZ 3.83Å; E46-R132 IonicContact OE1-NE 3.82Å; E46-R132 IonicContact OE1-NH1 3.73Å; E46-R132 PolarHBondContact OE1-NH1 3.42Å; E46-R132 IonicContact OE1-NH2 3.4Å; P125-R132 PolarHBondContact O-NH2 3.03Å; P125-R132 VanDerWaalsContact O-NH2 3.07Å; L128-R132 WeakPolarHBondContact O-CG 3.5Å; L128-R132 PolarHBondContact O-N 2.93Å; L128-R132 PolarHBondContact O-NE 3.2Å; A129-R132 PolarHBondContact O-N 2.9Å; R132-I135 PolarHBondContact O-N 3.4Å; R132-K136 VanDerWaalsContact O-CG 3.32Å; R132-K136 WeakPolarHBondContact O-CG 3.31Å; R132-K136 PolarHBondContact O-N 3.14Å; R132-V148 HydrophobicContact CB-CB 4.34Å; R132-V148 HydrophobicContact CB-CG1 4.34Å; R132-V148 WeakPolarHBondContact CD-O 3.5Å; R132-V148 HydrophobicContact CG-CB 4.29Å; R132-V148 HydrophobicContact CG-CG1 3.93Å; R132-T150 HydrophobicContact CG-CG2 3.61Å
133G98.6Very high96.2Very high0 Ų020.5 Ų20.50%012%0.121CC..Hα-helixtrans-56.9-50.2173.500000112.2E46 G49 L50 A129 L130 S131 I135 K136 G137E46-G133 VanDerWaalsContact O-CA 3.25Å; E46-G133 WeakPolarHBondContact O-CA 3.39Å; G49-G133 CarbonylContact C-O 3.57Å; G49-G133 CarbonylContact O-C 3.14Å; L50-G133 WeakPolarHBondContact CA-O 3.49Å; L50-G133 VanDerWaalsContact N-C 3.27Å; L50-G133 PolarHBondContact N-O 3.33Å; A129-G133 PolarHBondContact O-N 2.8Å; A129-G133 VanDerWaalsContact O-N 3.09Å; L130-G133 WeakPolarHBondContact O-CA 3.49Å; L130-G133 PolarHBondContact O-N 2.89Å; L130-G133 VanDerWaalsContact O-N 3.17Å; S131-G133 VanDerWaalsContact C-N 3.31Å; S131-G133 PolarHBondContact O-N 2.79Å; G133-I135 VanDerWaalsContact C-N 3.34Å; G133-I135 PolarHBondContact O-N 3.26Å; G133-K136 WeakPolarHBondContact O-CB 3.44Å; G133-K136 PolarHBondContact O-N 3.26Å; G133-K136 VanDerWaalsContact O-N 3.14Å; G133-G137 PolarHBondContact O-N 2.89Å
134I98.7Very high96.6Very high4 Ų419.2 Ų19.22%0.02112%0.116CC..Hα-helixtrans-55.6-47.5-179.7-70.8169.8000111.4G49 I52 G53 F81 L110 L130 S131 G137 A138G49-I134 VanDerWaalsContact C-N 3.3Å; G49-I134 WeakPolarHBondContact O-CA 3.47Å; G49-I134 PolarHBondContact O-N 3.23Å; I52-I134 HydrophobicContact CB-CG1 4.28Å; I52-I134 HydrophobicContact CG2-CD1 4.32Å; I52-I134 HydrophobicContact CG2-CG1 4.14Å; G53-I134 WeakPolarHBondContact CA-O 3.11Å; F81-I134 HydrophobicContact CE1-CG2 3.6Å; F81-I134 HydrophobicContact CZ-CG2 3.64Å; L110-I134 HydrophobicContact CD1-CD1 4.48Å; L130-I134 HydrophobicContact CD2-CD1 4.44Å; L130-I134 HydrophobicContact CG-CD1 4.05Å; L130-I134 WeakPolarHBondContact O-CG1 3.37Å; L130-I134 PolarHBondContact O-N 3.26Å; S131-I134 PolarHBondContact O-N 3.08Å; I134-G137 PolarHBondContact O-N 2.77Å; I134-A138 PolarHBondContact O-N 3.1Å
135I98.7Very high96.9Very high0 Ų022.1 Ų22.10%014%0.136CC..Hα-helixtrans-62.6-46.3178.1-65.2166.8000110.5W82 S131 R132 G133 G137 A138 L139 V148 F160 V162W82-I135 HydrophobicContact CH2-CD1 4.14Å; W82-I135 HydrophobicContact CH2-CG1 4.47Å; W82-I135 HydrophobicContact CZ3-CD1 4.07Å; W82-I135 HydrophobicContact CZ3-CG1 3.97Å; S131-I135 WeakPolarHBondContact O-CG1 3.49Å; S131-I135 PolarHBondContact O-N 2.92Å; R132-I135 PolarHBondContact O-N 3.4Å; G133-I135 VanDerWaalsContact C-N 3.34Å; G133-I135 PolarHBondContact O-N 3.26Å; I135-G137 VanDerWaalsContact C-N 3.32Å; I135-G137 PolarHBondContact O-N 3.22Å; I135-A138 PolarHBondContact O-N 2.71Å; I135-L139 HydrophobicContact CG2-CD1 3.81Å; I135-L139 HydrophobicContact CG2-CG 4.45Å; I135-L139 WeakPolarHBondContact O-CG 3.46Å; I135-L139 PolarHBondContact O-N 3.1Å; I135-V148 HydrophobicContact CB-CG2 4.3Å; I135-V148 HydrophobicContact CD1-CG1 4.36Å; I135-V148 HydrophobicContact CG2-CG2 3.9Å; I135-F160 HydrophobicContact CD1-CB 3.85Å; I135-F160 HydrophobicContact CD1-CD1 3.43Å; I135-F160 VanDerWaalsContact CD1-CD1 3.43Å; I135-F160 HydrophobicContact CD1-CD2 4.16Å; I135-F160 HydrophobicContact CD1-CE1 3.99Å; I135-F160 HydrophobicContact CD1-CG 3.54Å; I135-V162 HydrophobicContact CG2-CG2 4.1Å
136K98.5Very high97.1Very high57 Ų5720.5 Ų20.525%0.24813%0.127CC..Hα-helixtrans-58.9-42.9176.9-72.1165.265.1-177.40112E46 R132 G133 L139 C140 V148E46-K136 IonicContact OE2-NZ 2.6Å; E46-K136 PolarHBondContact OE2-NZ 2.8Å; R132-K136 VanDerWaalsContact O-CG 3.32Å; R132-K136 WeakPolarHBondContact O-CG 3.31Å; R132-K136 PolarHBondContact O-N 3.14Å; G133-K136 WeakPolarHBondContact O-CB 3.44Å; G133-K136 PolarHBondContact O-N 3.26Å; G133-K136 VanDerWaalsContact O-N 3.14Å; K136-L139 PolarHBondContact O-N 3Å; K136-C140 VanDerWaalsContact O-CB 3.23Å; K136-C140 WeakPolarHBondContact O-CB 3.39Å; K136-C140 PolarHBondContact O-N 3.42Å; K136-V148 HydrophobicContact CD-CG2 4.29Å; K136-V148 HydrophobicContact CG-CB 4.33Å; K136-V148 HydrophobicContact CG-CG2 3.6Å
137G98.5Very high97.3Very high0 Ų021.9 Ų21.90%014%0.139CC..Hα-helixtrans-62.4-45.6178.600000112.7L50 Y54 G133 I134 I135 C140 N141L50-G137 VanDerWaalsContact O-CA 3.24Å; L50-G137 WeakPolarHBondContact O-CA 3.23Å; Y54-G137 WeakPolarHBondContact CA-O 3.21Å; G133-G137 PolarHBondContact O-N 2.89Å; I134-G137 PolarHBondContact O-N 2.77Å; I135-G137 VanDerWaalsContact C-N 3.32Å; I135-G137 PolarHBondContact O-N 3.22Å; G137-C140 PolarHBondContact O-N 3.13Å; G137-N141 PolarHBondContact O-N 2.9Å
138A98.5Very high97.4Very high0 Ų021.9 Ų21.90%014%0.14CC..Hα-helixtrans-62.8-47.217700000111.7C57 I77 F81 I134 I135 C140 N141 L142C57-A138 HydrophobicContact CB-CB 4.17Å; I77-A138 HydrophobicContact CD1-CB 4.12Å; F81-A138 HydrophobicContact CD2-CB 4.07Å; F81-A138 HydrophobicContact CE1-CB 4.26Å; F81-A138 HydrophobicContact CE2-CB 3.55Å; F81-A138 HydrophobicContact CZ-CB 3.67Å; I134-A138 PolarHBondContact O-N 3.1Å; I135-A138 PolarHBondContact O-N 2.71Å; A138-C140 PolarHBondContact O-N 2.92Å; A138-N141 WeakPolarHBondContact O-CB 3.47Å; A138-N141 PolarHBondContact O-N 2.69Å; A138-L142 WeakPolarHBondContact O-CG 3.49Å; A138-L142 PolarHBondContact O-N 2.88Å; A138-L142 VanDerWaalsContact O-N 3.14Å
139L98Very high97.5Very high0 Ų026.1 Ų26.10%017%0.166CC..Hα-helixtrans-60.7-43.9176.8-71.2168.7000111.9I73 F74 I77 I135 K136 N141 L142 G143 L144 A146 V162I73-L139 HydrophobicContact CG2-CD2 3.93Å; F74-L139 HydrophobicContact CE1-CD2 4.35Å; F74-L139 HydrophobicContact CE2-CD2 4.36Å; F74-L139 HydrophobicContact CZ-CD1 4.45Å; F74-L139 HydrophobicContact CZ-CD2 4.04Å; I77-L139 HydrophobicContact CD1-CD2 3.44Å; I77-L139 VanDerWaalsContact CD1-CD2 3.44Å; I77-L139 HydrophobicContact CD1-CG 3.68Å; I135-L139 HydrophobicContact CG2-CD1 3.81Å; I135-L139 HydrophobicContact CG2-CG 4.45Å; I135-L139 WeakPolarHBondContact O-CG 3.46Å; I135-L139 PolarHBondContact O-N 3.1Å; K136-L139 PolarHBondContact O-N 3Å; L139-N141 VanDerWaalsContact C-N 3.33Å; L139-N141 PolarHBondContact O-N 3.4Å; L139-L142 CarbonylContact O-C 3.41Å; L139-L142 WeakPolarHBondContact O-CA 3.34Å; L139-L142 PolarHBondContact O-N 2.98Å; L139-G143 PolarHBondContact O-N 2.91Å; L139-G143 VanDerWaalsContact O-N 3.16Å; L139-L144 CarbonylContact C-O 3.14Å; L139-L144 HydrophobicContact CB-CB 4.17Å; L139-L144 HydrophobicContact CD2-CB 4.28Å; L139-L144 HydrophobicContact CD2-CD1 3.95Å; L139-L144 PolarHBondContact O-N 2.9Å; L139-A146 HydrophobicContact CD1-CB 3.78Å; L139-V162 HydrophobicContact CD1-CG1 3.63Å
140C97.2Very high97.5Very high68 Ų6827.5 Ų27.546%0.45917%0.174SC..Hα-helixtrans-61.8-40178.2-177.80000112.1Y54 K136 G137 A138 L142 G143 L144Y54-C140 HydrophobicContact CD2-CB 4.42Å; K136-C140 VanDerWaalsContact O-CB 3.23Å; K136-C140 WeakPolarHBondContact O-CB 3.39Å; K136-C140 PolarHBondContact O-N 3.42Å; G137-C140 PolarHBondContact O-N 3.13Å; A138-C140 PolarHBondContact O-N 2.92Å; C140-L142 PolarHBondContact O-N 3.16Å; C140-G143 PolarHBondContact O-N 3Å; C140-G143 VanDerWaalsContact O-N 3.13Å; C140-L144 WeakPolarHBondContact CA-O 3.44Å; C140-L144 PolarHBondContact N-O 3.06Å
141N96.7Very high97.2Very high32 Ų3229.4 Ų29.417%0.17118%0.184CC..Hα-helixtrans-61.9-34.3173.8-175.3-94.6000112.3Y54 C57 E58 G137 A138 L139 G143Y54-N141 HydrophobicContact CD1-CB 4.4Å; Y54-N141 WeakPolarHBondContact CD1-ND2 3.15Å; Y54-N141 HydrophobicContact CD2-CB 3.69Å; Y54-N141 WeakPolarHBondContact CE1-ND2 3.37Å; Y54-N141 HydrophobicContact CE2-CB 3.84Å; Y54-N141 HydrophobicContact CG-CB 4Å; Y54-N141 PolarHBondContact O-ND2 2.89Å; C57-N141 HydrophobicContact CB-CB 3.87Å; C57-N141 PolarHBondContact SG-OD1 3.21Å; C57-N141 VanDerWaalsContact SG-OD1 3.39Å; E58-N141 PolarHBondContact N-OD1 3.21Å; G137-N141 PolarHBondContact O-N 2.9Å; A138-N141 WeakPolarHBondContact O-CB 3.47Å; A138-N141 PolarHBondContact O-N 2.69Å; L139-N141 VanDerWaalsContact C-N 3.33Å; L139-N141 PolarHBondContact O-N 3.4Å; N141-G143 VanDerWaalsContact C-N 3.26Å; N141-G143 PolarHBondContact O-N 2.82Å
142L95.8Very high97Very high37 Ų3730.9 Ų30.919%0.19419%0.192CC..THydrogen-bonded Turntrans-85.48.2177.5-61.5171.6000113.6C57 T61 M67 I73 F76 I77 A138 L139 C140C57-L142 VanDerWaalsContact SG-CG 3.53Å; T61-L142 HydrophobicContact CG2-CD2 3.92Å; M67-L142 HydrophobicContact CE-CD2 4.36Å; M67-L142 HydrophobicContact SD-CD2 4.45Å; I73-L142 HydrophobicContact CB-CD1 4.41Å; I73-L142 HydrophobicContact CD1-CB 4.19Å; I73-L142 HydrophobicContact CG1-CB 4.35Å; I73-L142 HydrophobicContact CG1-CD1 4.39Å; I73-L142 HydrophobicContact CG2-CB 4.18Å; I73-L142 HydrophobicContact CG2-CD1 3.53Å; I73-L142 HydrophobicContact CG2-CG 4.48Å; F76-L142 HydrophobicContact CD1-CD1 4.01Å; F76-L142 HydrophobicContact CE1-CD1 4.21Å; I77-L142 HydrophobicContact CD1-CD1 4.46Å; I77-L142 HydrophobicContact CG1-CD1 4.38Å; A138-L142 WeakPolarHBondContact O-CG 3.49Å; A138-L142 PolarHBondContact O-N 2.88Å; A138-L142 VanDerWaalsContact O-N 3.14Å; L139-L142 CarbonylContact O-C 3.41Å; L139-L142 WeakPolarHBondContact O-CA 3.34Å; L139-L142 PolarHBondContact O-N 2.98Å; C140-L142 PolarHBondContact O-N 3.16Å
143G94.9Very high96.7Very high58 Ų5832 Ų3260%0.59820%0.204SC*.THydrogen-bonded Turntrans82.312.3177.300000115.1L139 C140 N141L139-G143 PolarHBondContact O-N 2.91Å; L139-G143 VanDerWaalsContact O-N 3.16Å; C140-G143 PolarHBondContact O-N 3Å; C140-G143 VanDerWaalsContact O-N 3.13Å; N141-G143 VanDerWaalsContact C-N 3.26Å; N141-G143 PolarHBondContact O-N 2.82Å
144L96Very high96.2Very high27 Ų2738.9 Ų38.914%0.14124%0.236CC..  trans-105129177.1-62.2-176.4000111.6E70 I73 F74 L139 C140 L164E70-L144 HydrophobicContact CG-CD2 4.34Å; I73-L144 HydrophobicContact CB-CD1 4.18Å; I73-L144 HydrophobicContact CD1-CD1 3.72Å; I73-L144 HydrophobicContact CD1-CD2 4.49Å; I73-L144 HydrophobicContact CD1-CG 3.95Å; I73-L144 HydrophobicContact CG2-CD1 3.73Å; F74-L144 HydrophobicContact CE2-CD1 4.46Å; L139-L144 CarbonylContact C-O 3.14Å; L139-L144 HydrophobicContact CB-CB 4.17Å; L139-L144 HydrophobicContact CD2-CB 4.28Å; L139-L144 HydrophobicContact CD2-CD1 3.95Å; L139-L144 PolarHBondContact O-N 2.9Å; C140-L144 WeakPolarHBondContact CA-O 3.44Å; C140-L144 PolarHBondContact N-O 3.06Å; L144-L164 HydrophobicContact CB-CD2 4.29Å; L144-L164 HydrophobicContact CD1-CD1 4.49Å; L144-L164 HydrophobicContact CD1-CD2 4.17Å
145S96.3Very high95.7Very high62 Ų6240.8 Ų40.843%0.43425%0.245SC..  trans-94.8128.4170.2-1710000109.6K165S145-K165 PolarHBondContact O-N 3.18Å
146A97.3Very high95.2Very high11 Ų1143.5 Ų43.59%0.09126%0.263CS..EExtended strand (participates in β ladder)trans-146.2155.8-175.600000113.1L139 V162 T163 L164L139-A146 HydrophobicContact CD1-CB 3.78Å; A146-V162 HydrophobicContact CB-CG1 3.79Å; A146-T163 CarbonylContact C-O 3.52Å; A146-T163 VanDerWaalsContact CA-O 3.23Å; A146-T163 WeakPolarHBondContact CA-O 3.48Å; A146-T163 WeakPolarHBondContact CB-O 3.35Å; A146-L164 HydrophobicContact CB-CD2 4.01Å
147S97.4Very high95Very high45 Ų4542.7 Ų42.732%0.31526%0.262SS..EExtended strand (participates in β ladder)trans-98.7150157.6590000109.9V162 T163S147-V162 WeakPolarHBondContact O-CA 3.41Å; S147-T163 PolarHBondContact N-O 2.71Å; S147-T163 PolarHBondContact O-N 3.14Å
148V98.3Very high94.9Very high10 Ų1042.7 Ų42.76%0.06126%0.262CS..EExtended strand (participates in β ladder)trans-131122.4177-172.90000108.3R132 I135 K136 F160 S161 V162R132-V148 HydrophobicContact CB-CB 4.34Å; R132-V148 HydrophobicContact CB-CG1 4.34Å; R132-V148 WeakPolarHBondContact CD-O 3.5Å; R132-V148 HydrophobicContact CG-CB 4.29Å; R132-V148 HydrophobicContact CG-CG1 3.93Å; I135-V148 HydrophobicContact CB-CG2 4.3Å; I135-V148 HydrophobicContact CD1-CG1 4.36Å; I135-V148 HydrophobicContact CG2-CG2 3.9Å; K136-V148 HydrophobicContact CD-CG2 4.29Å; K136-V148 HydrophobicContact CG-CB 4.33Å; K136-V148 HydrophobicContact CG-CG2 3.6Å; V148-F160 HydrophobicContact CG1-CB 4.17Å; V148-F160 HydrophobicContact CG1-CD1 4.21Å; V148-S161 WeakPolarHBondContact CA-O 3.24Å; V148-V162 HydrophobicContact CG1-CG2 4.28Å; V148-V162 HydrophobicContact CG2-CG1 4.29Å; V148-V162 HydrophobicContact CG2-CG2 4.16Å
149V97.2Very high94.8Very high93 Ų9346.5 Ų46.556%0.56428%0.277SS*.EExtended strand (participates in β ladder)trans-115.1144.7173.8-179.10000108.2S161V149-S161 PolarHBondContact N-O 2.9Å; V149-S161 PolarHBondContact O-N 2.87Å
150T96.4Very high94.9Very high29 Ų2946.5 Ų46.518%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-113.7139.617849.20000111.8L128 R132 R159 F160L128-T150 HydrophobicContact CB-CG2 4.23Å; R132-T150 HydrophobicContact CG-CG2 3.61Å; T150-R159 VanDerWaalsContact CA-O 3.24Å; T150-R159 WeakPolarHBondContact CA-O 3.48Å; T150-F160 HydrophobicContact CG2-CD1 3.35Å; T150-F160 HydrophobicContact CG2-CE1 3.51Å; T150-F160 HydrophobicContact CG2-CG 4.25Å
151D93.2Very high94.9Very high49 Ų4944.7 Ų44.726%0.26227%0.265SS..EExtended strand (participates in β ladder)trans-132.1156.916867.4-83.5000111.1R159D151-R159 PolarHBondContact N-O 3.12Å; D151-R159 PolarHBondContact O-N 3.06Å; D151-R159 WeakPolarHBondContact OD1-CB 3.38Å; D151-R159 VanDerWaalsContact OD1-CD 3.27Å; D151-R159 WeakPolarHBondContact OD1-CD 3.42Å; D151-R159 IonicContact OD1-NH1 2.64Å; D151-R159 IonicContact OD2-CZ 3.52Å; D151-R159 IonicContact OD2-NE 2.76Å; D151-R159 IonicContact OD2-NH1 3.55Å; D151-R159 PolarHBondContact OD2-NH1 2.76Å
152I93.1Very high95Very high33 Ų3343.2 Ų43.217%0.16926%0.257CS..EExtended strand (participates in β ladder)trans-123.486.5-175.7-50.3178000107.1A124 L128 M155 I158A124-I152 HydrophobicContact CB-CD1 3.44Å; A124-I152 VanDerWaalsContact CB-CD1 3.44Å; L128-I152 HydrophobicContact CD1-CD1 3.87Å; L128-I152 HydrophobicContact CD1-CG1 4.07Å; I152-M155 HydrophobicContact CD1-CE 3.79Å; I152-M155 HydrophobicContact CG2-CE 3.91Å; I152-M155 HydrophobicContact CG2-CG 3.98Å; I152-M155 HydrophobicContact CG2-SD 3.72Å; I152-I158 HydrophobicContact CD1-CD1 4.19Å; I152-I158 HydrophobicContact CG1-CD1 3.88Å; I152-I158 HydrophobicContact CG2-CD1 4.18Å
153P91.8Very high95.1Very high58 Ų5844.1 Ų44.138%0.37726%0.264SS..EExtended strand (participates in β ladder)trans-60.2-46.7-178.522-33000111.6V157P153-V157 WeakPolarHBondContact CD-O 3.28Å; P153-V157 HydrophobicContact CG-CB 4.14Å; P153-V157 HydrophobicContact CG-CG1 3.93Å
154E88.5Confident95.2Very high144 Ų14442.5 Ų42.567%0.67324%0.242SC*.EExtended strand (participates in β ladder)trans-157.3126.4178.4-177.5174.9-168.600107.8V157E154-V157 WeakPolarHBondContact O-CA 3.43Å; E154-V157 WeakPolarHBondContact O-CB 3.27Å; E154-V157 WeakPolarHBondContact O-CG2 3.45Å; E154-V157 PolarHBondContact O-N 3.42Å
155M87.3Confident95.1Very high43 Ų4346.8 Ų46.821%0.21226%0.259CS..THydrogen-bonded Turntrans-62.2138.1177.6-82.8-61.8-169.200110.4M111 F120 I152 I158M111-M155 HydrophobicContact CE-CE 3.65Å; M111-M155 HydrophobicContact CE-SD 4.41Å; F120-M155 HydrophobicContact CD1-CE 3.51Å; F120-M155 HydrophobicContact CE1-CE 3.69Å; I152-M155 HydrophobicContact CD1-CE 3.79Å; I152-M155 HydrophobicContact CG2-CE 3.91Å; I152-M155 HydrophobicContact CG2-CG 3.98Å; I152-M155 HydrophobicContact CG2-SD 3.72Å; M155-I158 HydrophobicContact SD-CD1 4.29Å
156P89.3Confident94.3Very high58 Ų5851.6 Ų51.638%0.37728%0.28SS..THydrogen-bonded Turncis-96.219.39.426.6-14.3000114.6G106 I158G106-P156 WeakPolarHBondContact O-CG 3.42Å; P156-I158 PolarHBondContact O-N 3.09Å
157V93.3Very high92.5Very high39 Ų3955.9 Ų55.924%0.23631%0.309CS..EExtended strand (participates in β ladder)trans-74.7120.9-178.1-170.50000111.2T104 D105 P153 E154T104-V157 HydrophobicContact CG2-CG1 3.42Å; T104-V157 VanDerWaalsContact CG2-CG1 3.42Å; D105-V157 WeakPolarHBondContact O-CA 3.33Å; P153-V157 WeakPolarHBondContact CD-O 3.28Å; P153-V157 HydrophobicContact CG-CB 4.14Å; P153-V157 HydrophobicContact CG-CG1 3.93Å; E154-V157 WeakPolarHBondContact O-CA 3.43Å; E154-V157 WeakPolarHBondContact O-CB 3.27Å; E154-V157 WeakPolarHBondContact O-CG2 3.45Å; E154-V157 PolarHBondContact O-N 3.42Å
158I95.9Very high89.9Confident0 Ų060.7 Ų60.70%037%0.366CS..EExtended strand (participates in β ladder)trans-109.6133.5172.9-52.5-56.1000109T104 D105 F108 M111 L128 I152 M155 P156 F160T104-I158 WeakPolarHBondContact CA-O 3.46Å; D105-I158 PolarHBondContact N-O 3.06Å; D105-I158 PolarHBondContact O-N 3.22Å; F108-I158 HydrophobicContact CB-CB 4.14Å; F108-I158 HydrophobicContact CB-CG1 3.67Å; F108-I158 HydrophobicContact CD1-CB 4.45Å; F108-I158 HydrophobicContact CD1-CG1 4Å; F108-I158 HydrophobicContact CG-CB 4.41Å; F108-I158 HydrophobicContact CG-CG1 4.14Å; M111-I158 HydrophobicContact CE-CD1 4.18Å; M111-I158 HydrophobicContact CG-CD1 4.1Å; M111-I158 HydrophobicContact CG-CG1 3.94Å; M111-I158 HydrophobicContact SD-CD1 3.85Å; M111-I158 HydrophobicContact SD-CG1 4.06Å; L128-I158 HydrophobicContact CD1-CG2 4.48Å; L128-I158 HydrophobicContact CD2-CD1 4.23Å; L128-I158 HydrophobicContact CD2-CG1 4.26Å; L128-I158 HydrophobicContact CD2-CG2 3.56Å; I152-I158 HydrophobicContact CD1-CD1 4.19Å; I152-I158 HydrophobicContact CG1-CD1 3.88Å; I152-I158 HydrophobicContact CG2-CD1 4.18Å; M155-I158 HydrophobicContact SD-CD1 4.29Å; P156-I158 PolarHBondContact O-N 3.09Å; I158-F160 HydrophobicContact CB-CE2 4.27Å; I158-F160 HydrophobicContact CG2-CD2 4.27Å; I158-F160 HydrophobicContact CG2-CE1 4.23Å; I158-F160 HydrophobicContact CG2-CE2 3.62Å; I158-F160 HydrophobicContact CG2-CZ 3.59Å
159R97.8Very high89.5Confident81 Ų8163.2 Ų63.231%0.30638%0.381SS..EExtended strand (participates in β ladder)trans-114.5130.5173.6-173.9-174.7-63.4134.28.8110.1V102 I103 T150 D151V102-R159 HydrophobicContact CG1-CG 3.35Å; I103-R159 CarbonylContact O-C 3.47Å; I103-R159 WeakPolarHBondContact O-CA 3.46Å; T150-R159 VanDerWaalsContact CA-O 3.24Å; T150-R159 WeakPolarHBondContact CA-O 3.48Å; D151-R159 PolarHBondContact N-O 3.12Å; D151-R159 PolarHBondContact O-N 3.06Å; D151-R159 WeakPolarHBondContact OD1-CB 3.38Å; D151-R159 VanDerWaalsContact OD1-CD 3.27Å; D151-R159 WeakPolarHBondContact OD1-CD 3.42Å; D151-R159 IonicContact OD1-NH1 2.64Å; D151-R159 IonicContact OD2-CZ 3.52Å; D151-R159 IonicContact OD2-NE 2.76Å; D151-R159 IonicContact OD2-NH1 3.55Å; D151-R159 PolarHBondContact OD2-NH1 2.76Å
160F98.4Very high89.1Confident0 Ų061.6 Ų61.60%037%0.371CS..EExtended strand (participates in β ladder)trans-107.3108.6171.4-55.6-91.5000108.5W82 V102 I103 F108 S131 I135 V148 T150 I158W82-F160 HydrophobicContact CH2-CD2 4.28Å; W82-F160 AromaticContact CH2-CE2 3.88Å; W82-F160 HydrophobicContact CH2-CE2 3.88Å; W82-F160 HydrophobicContact CH2-CZ 4.29Å; W82-F160 HydrophobicContact CZ2-CE2 4.1Å; V102-F160 WeakPolarHBondContact CA-O 3.33Å; I103-F160 HydrophobicContact CB-CB 4.28Å; I103-F160 PolarHBondContact N-O 2.91Å; I103-F160 PolarHBondContact O-N 2.89Å; F108-F160 HydrophobicContact CD1-CZ 4.29Å; F108-F160 HydrophobicContact CD2-CE2 4.41Å; F108-F160 HydrophobicContact CD2-CZ 4.42Å; F108-F160 AromaticContact CE1-CZ 3.94Å; F108-F160 HydrophobicContact CE1-CZ 3.94Å; F108-F160 HydrophobicContact CE2-CE2 4.37Å; F108-F160 HydrophobicContact CE2-CZ 4.09Å; F108-F160 AromaticContact CZ-CZ 3.86Å; F108-F160 HydrophobicContact CZ-CZ 3.86Å; S131-F160 WeakPolarHBondContact OG-CE1 3.47Å; I135-F160 HydrophobicContact CD1-CB 3.85Å; I135-F160 HydrophobicContact CD1-CD1 3.43Å; I135-F160 VanDerWaalsContact CD1-CD1 3.43Å; I135-F160 HydrophobicContact CD1-CD2 4.16Å; I135-F160 HydrophobicContact CD1-CE1 3.99Å; I135-F160 HydrophobicContact CD1-CG 3.54Å; V148-F160 HydrophobicContact CG1-CB 4.17Å; V148-F160 HydrophobicContact CG1-CD1 4.21Å; T150-F160 HydrophobicContact CG2-CD1 3.35Å; T150-F160 HydrophobicContact CG2-CE1 3.51Å; T150-F160 HydrophobicContact CG2-CG 4.25Å; I158-F160 HydrophobicContact CB-CE2 4.27Å; I158-F160 HydrophobicContact CG2-CD2 4.27Å; I158-F160 HydrophobicContact CG2-CE1 4.23Å; I158-F160 HydrophobicContact CG2-CE2 3.62Å; I158-F160 HydrophobicContact CG2-CZ 3.59Å
161S98.3Very high88.7Confident30 Ų3063.4 Ų63.421%0.2138%0.382CS..EExtended strand (participates in β ladder)trans-89.1111.8171.8-63.50000108.5V148 V149V148-S161 WeakPolarHBondContact CA-O 3.24Å; V149-S161 PolarHBondContact N-O 2.9Å; V149-S161 PolarHBondContact O-N 2.87Å
162V98.6Very high88.4Confident0 Ų064.3 Ų64.30%039%0.389CS..EExtended strand (participates in β ladder)trans-105.2121.6-178.3-173.90000108.7F74 I100 Y101 I103 I135 L139 A146 S147 V148F74-V162 HydrophobicContact CE1-CB 4.01Å; F74-V162 HydrophobicContact CE1-CG1 3.92Å; F74-V162 HydrophobicContact CE1-CG2 4.19Å; F74-V162 HydrophobicContact CZ-CB 4.16Å; F74-V162 HydrophobicContact CZ-CG1 3.72Å; I100-V162 WeakPolarHBondContact CA-O 3.13Å; Y101-V162 PolarHBondContact N-O 3.25Å; Y101-V162 PolarHBondContact O-N 3.09Å; I103-V162 HydrophobicContact CD1-CG2 4.37Å; I135-V162 HydrophobicContact CG2-CG2 4.1Å; L139-V162 HydrophobicContact CD1-CG1 3.63Å; A146-V162 HydrophobicContact CB-CG1 3.79Å; S147-V162 WeakPolarHBondContact O-CA 3.41Å; V148-V162 HydrophobicContact CG1-CG2 4.28Å; V148-V162 HydrophobicContact CG2-CG1 4.29Å; V148-V162 HydrophobicContact CG2-CG2 4.16Å
163T98.1Very high88.1Confident57 Ų5766.3 Ų66.335%0.3540%0.403SS..EExtended strand (participates in β ladder)trans-113.4115.6175.5-56.20000108.6I100 A146 S147I100-T163 HydrophobicContact CG1-CG2 4.33Å; A146-T163 CarbonylContact C-O 3.52Å; A146-T163 VanDerWaalsContact CA-O 3.23Å; A146-T163 WeakPolarHBondContact CA-O 3.48Å; A146-T163 WeakPolarHBondContact CB-O 3.35Å; S147-T163 PolarHBondContact N-O 2.71Å; S147-T163 PolarHBondContact O-N 3.14Å
164L97.2Very high87.9Confident23 Ų2366.8 Ų66.812%0.1241%0.405CS..EExtended strand (participates in β ladder)trans-66.6141173.1-60.4-173.3000109.7E70 F74 G99 Y101 L144 A146E70-L164 HydrophobicContact CB-CD1 4.41Å; E70-L164 HydrophobicContact CG-CD1 4.02Å; E70-L164 WeakPolarHBondContact OE2-CD1 3.4Å; F74-L164 HydrophobicContact CE2-CD1 4.27Å; F74-L164 HydrophobicContact CE2-CD2 4.01Å; F74-L164 HydrophobicContact CE2-CG 4.37Å; F74-L164 HydrophobicContact CZ-CD2 4.02Å; G99-L164 PolarHBondContact O-N 2.95Å; Y101-L164 HydrophobicContact CD2-CD1 4.49Å; Y101-L164 HydrophobicContact CD2-CG 4.44Å; Y101-L164 HydrophobicContact CE2-CD1 3.87Å; Y101-L164 HydrophobicContact CE2-CG 4.29Å; L144-L164 HydrophobicContact CB-CD2 4.29Å; L144-L164 HydrophobicContact CD1-CD1 4.49Å; L144-L164 HydrophobicContact CD1-CD2 4.17Å; A146-L164 HydrophobicContact CB-CD2 4.01Å
165K93.4Very high87.8Confident118 Ų11861.3 Ų61.351%0.51339%0.385SS..PPolyproline II helixtrans-96135.2173.2-62.2-178.4179.9-178.90108S145 S167S145-K165 PolarHBondContact O-N 3.18Å; K165-S167 PolarHBondContact O-N 3.43Å
166D79.4Confident87.9Confident163 Ų16362.7 Ų62.787%0.87240%0.399SS*.PPolyproline II helixtrans-55.2126.3173.2-71.2-33.8000109.5G168D166-G168 VanDerWaalsContact C-N 3.3Å; D166-G168 PolarHBondContact O-N 3.11Å; D166-G168 VanDerWaalsContact O-N 3.12Å
167S60.7Low87.8Confident101 Ų10163.1 Ų63.171%0.70640%0.401SS*.  trans-79.690.2167.7-580000105.8K165K165-S167 PolarHBondContact O-N 3.43Å
168G42.2Very low87.3Confident145 Ų14565.3 Ų65.3100%1.49542%0.416SS*.  trans-60.2017600000113.3D166D166-G168 VanDerWaalsContact C-N 3.3Å; D166-G168 PolarHBondContact O-N 3.11Å; D166-G168 VanDerWaalsContact O-N 3.12Å

Retrieved 168 of 168 residues in 605.1 ms (Link to these results)

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