A0A087XYB5_POEFO Loading...

Phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087XYB5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 544 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
1M64.7Low76.8Confident180 Ų180120.9 Ų120.989%0.88760%0.6SS**  0-55.10-79-171.5-137.600107.9T3 M4 E5M1-T3 PolarHBondContact O-N 3.18Å; M1-M4 WeakPolarHBondContact O-CA 3.46Å; M1-M4 VanDerWaalsContact O-CB 3.31Å; M1-M4 WeakPolarHBondContact O-CB 3.36Å; M1-M4 PolarHBondContact O-N 2.98Å; M1-E5 PolarHBondContact O-N 3.02Å
2E68.5Low77.1Confident157 Ų157117.8 Ų117.873%0.73459%0.587SS**Hα-helixtrans-48.7-50.1174.6-67.4169.4173.700114.6M4 E5 E6E2-M4 PolarHBondContact O-N 2.78Å; E2-M4 VanDerWaalsContact O-N 3.17Å; E2-E5 PolarHBondContact O-N 3.19Å; E2-E6 PolarHBondContact O-N 3.3Å
3T79Confident76.9Confident110 Ų110113.3 Ų113.368%0.67556%0.563SS**Hα-helixtrans-68.2-16178.161.80000114.6M1 L7M1-T3 PolarHBondContact O-N 3.18Å; T3-L7 WeakPolarHBondContact O-CB 3.32Å; T3-L7 PolarHBondContact O-N 2.98Å
4M76.1Confident76.8Confident117 Ų117112.5 Ų112.558%0.57656%0.561SS**Hα-helixtrans-89.3-40178-163.4178.1-47.400109.7M1 E2 L7 D8M1-M4 WeakPolarHBondContact O-CA 3.46Å; M1-M4 VanDerWaalsContact O-CB 3.31Å; M1-M4 WeakPolarHBondContact O-CB 3.36Å; M1-M4 PolarHBondContact O-N 2.98Å; E2-M4 PolarHBondContact O-N 2.78Å; E2-M4 VanDerWaalsContact O-N 3.17Å; M4-L7 WeakPolarHBondContact O-CB 3.45Å; M4-L7 PolarHBondContact O-N 3.43Å; M4-D8 PolarHBondContact O-N 3.4Å
5E81.3Confident76.8Confident127 Ų127115.4 Ų115.459%0.59357%0.572SS**Hα-helixtrans-63.4-40.8170.9-71.1169.9-171.600111.5M1 E2 L7 D8 W9M1-E5 PolarHBondContact O-N 3.02Å; E2-E5 PolarHBondContact O-N 3.19Å; E5-L7 VanDerWaalsContact C-N 3.31Å; E5-L7 PolarHBondContact O-N 3.01Å; E5-D8 PolarHBondContact O-N 3.05Å; E5-W9 VanDerWaalsContact O-CB 3.29Å; E5-W9 WeakPolarHBondContact O-CB 3.26Å; E5-W9 PolarHBondContact O-N 3.29Å
6E75.4Confident76.7Confident134 Ų134113.8 Ų113.863%0.62657%0.571SS**Hα-helixtrans-62.6-37.6172-79-174.3162.400112.4E2 C10E2-E6 PolarHBondContact O-N 3.3Å; E6-C10 WeakPolarHBondContact O-CB 3.23Å; E6-C10 PolarHBondContact O-N 2.88Å; E6-C10 PolarHBondContact O-SG 3.05Å
7L81.1Confident76.3Confident96 Ų96114.1 Ų114.150%0.50357%0.573SS.*Hα-helixtrans-68.9-45.6177.8-179.964.8000111.2T3 M4 E5 W9 C10 L11T3-L7 WeakPolarHBondContact O-CB 3.32Å; T3-L7 PolarHBondContact O-N 2.98Å; M4-L7 WeakPolarHBondContact O-CB 3.45Å; M4-L7 PolarHBondContact O-N 3.43Å; E5-L7 VanDerWaalsContact C-N 3.31Å; E5-L7 PolarHBondContact O-N 3.01Å; L7-W9 VanDerWaalsContact C-N 3.33Å; L7-C10 PolarHBondContact O-N 3.37Å; L7-L11 HydrophobicContact CD1-CG 4.49Å; L7-L11 HydrophobicContact CG-CD1 4.26Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.22Å; L7-L11 PolarHBondContact O-N 3.42Å
8D82.1Confident75.7Confident95 Ų95113 Ų11351%0.50857%0.566SS.*Hα-helixtrans-63.5-41.6178.2-71.8-20.8000110.7M4 E5 L11 D12M4-D8 PolarHBondContact O-N 3.4Å; E5-D8 PolarHBondContact O-N 3.05Å; D8-L11 PolarHBondContact O-N 3.32Å; D8-D12 WeakPolarHBondContact O-CB 3.31Å; D8-D12 PolarHBondContact O-N 3.32Å
9W80.9Confident75.3Confident163 Ų163111.8 Ų111.862%0.61757%0.565SS**Hα-helixtrans-61.1-44.9172.1-177.583000111.9E5 L7 L11 D12 Q13E5-W9 VanDerWaalsContact O-CB 3.29Å; E5-W9 WeakPolarHBondContact O-CB 3.26Å; E5-W9 PolarHBondContact O-N 3.29Å; L7-W9 VanDerWaalsContact C-N 3.33Å; W9-L11 VanDerWaalsContact C-N 3.31Å; W9-L11 PolarHBondContact O-N 2.86Å; W9-D12 PolarHBondContact O-N 3.32Å; W9-Q13 HydrophobicContact CD2-CG 3.91Å; W9-Q13 HydrophobicContact CE3-CG 4.22Å; W9-Q13 HydrophobicContact CG-CG 4.49Å; W9-Q13 HydrophobicContact CH2-CG 4.02Å; W9-Q13 HydrophobicContact CZ2-CG 3.67Å; W9-Q13 HydrophobicContact CZ3-CG 4.27Å; W9-Q13 WeakPolarHBondContact O-CB 3.43Å; W9-Q13 VanDerWaalsContact O-CG 3.27Å; W9-Q13 WeakPolarHBondContact O-CG 3.43Å; W9-Q13 PolarHBondContact O-N 2.76Å
10C75Confident74.7Confident59 Ų59117.3 Ų117.340%0.39958%0.581SS.*Hα-helixtrans-62.7-36.4176.6-72.90000112.8E6 L7 L14E6-C10 WeakPolarHBondContact O-CB 3.23Å; E6-C10 PolarHBondContact O-N 2.88Å; E6-C10 PolarHBondContact O-SG 3.05Å; L7-C10 PolarHBondContact O-N 3.37Å; C10-L14 WeakPolarHBondContact O-CB 3.19Å; C10-L14 WeakPolarHBondContact O-CG 3.42Å; C10-L14 PolarHBondContact O-N 3.03Å
11L81Confident74.3Confident92 Ų92121.5 Ų121.548%0.48259%0.59SS.*Hα-helixtrans-69.9-43.8177.8-70.8173.5000111.4L7 D8 W9 L14 E15L7-L11 HydrophobicContact CD1-CG 4.49Å; L7-L11 HydrophobicContact CG-CD1 4.26Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.22Å; L7-L11 PolarHBondContact O-N 3.42Å; D8-L11 PolarHBondContact O-N 3.32Å; W9-L11 VanDerWaalsContact C-N 3.31Å; W9-L11 PolarHBondContact O-N 2.86Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 2.7Å; L11-E15 PolarHBondContact O-N 2.91Å
12D80.1Confident74.8Confident84 Ų84115 Ų11545%0.44956%0.562SS.*Hα-helixtrans-61.6-44.6174.5178.773.7000111.6D8 W9 L14 E15 T16D8-D12 WeakPolarHBondContact O-CB 3.31Å; D8-D12 PolarHBondContact O-N 3.32Å; W9-D12 PolarHBondContact O-N 3.32Å; D12-L14 PolarHBondContact O-N 3.4Å; D12-E15 PolarHBondContact O-N 3.47Å; D12-T16 WeakPolarHBondContact O-CB 3.4Å; D12-T16 VanDerWaalsContact O-CG2 3.32Å; D12-T16 WeakPolarHBondContact O-CG2 3.45Å; D12-T16 PolarHBondContact O-N 3.47Å; D12-T16 PolarHBondContact O-OG1 3.3Å
13Q75.2Confident75.2Confident59 Ų59110.6 Ų110.628%0.27655%0.546SS..Hα-helixtrans-63-40.1173.5-68.3-55.1-74.400112.1W9 E15 T16 I17W9-Q13 HydrophobicContact CD2-CG 3.91Å; W9-Q13 HydrophobicContact CE3-CG 4.22Å; W9-Q13 HydrophobicContact CG-CG 4.49Å; W9-Q13 HydrophobicContact CH2-CG 4.02Å; W9-Q13 HydrophobicContact CZ2-CG 3.67Å; W9-Q13 HydrophobicContact CZ3-CG 4.27Å; W9-Q13 WeakPolarHBondContact O-CB 3.43Å; W9-Q13 VanDerWaalsContact O-CG 3.27Å; W9-Q13 WeakPolarHBondContact O-CG 3.43Å; W9-Q13 PolarHBondContact O-N 2.76Å; Q13-E15 VanDerWaalsContact C-N 3.29Å; Q13-E15 PolarHBondContact O-N 3.07Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.28Å; Q13-T16 PolarHBondContact O-OG1 2.85Å; Q13-I17 HydrophobicContact CB-CD1 4.05Å; Q13-I17 WeakPolarHBondContact O-CB 3.25Å; Q13-I17 WeakPolarHBondContact O-CD1 3.09Å; Q13-I17 WeakPolarHBondContact O-CG1 3.35Å; Q13-I17 PolarHBondContact O-N 2.91Å
14L75.5Confident75.1Confident102 Ų102108.8 Ų108.853%0.53454%0.538SS..Hα-helixtrans-62.6-35.3176-88.1168.5000112.7C10 L11 D12 Q18C10-L14 WeakPolarHBondContact O-CB 3.19Å; C10-L14 WeakPolarHBondContact O-CG 3.42Å; C10-L14 PolarHBondContact O-N 3.03Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 2.7Å; D12-L14 PolarHBondContact O-N 3.4Å; L14-Q18 WeakPolarHBondContact O-CG 3.4Å; L14-Q18 PolarHBondContact O-NE2 2.86Å
15E76.5Confident75.2Confident156 Ų156107.8 Ų107.873%0.72954%0.535SS*.Hα-helixtrans-79-42179.7-164.5163.1-157.700111.6L11 D12 Q13L11-E15 PolarHBondContact O-N 2.91Å; D12-E15 PolarHBondContact O-N 3.47Å; Q13-E15 VanDerWaalsContact C-N 3.29Å; Q13-E15 PolarHBondContact O-N 3.07Å
16T74.4Confident75Confident89 Ų89108.2 Ų108.255%0.54654%0.538SS..Hα-helixtrans-76.1-31.9-178.654.60000114D12 Q13 Q18D12-T16 WeakPolarHBondContact O-CB 3.4Å; D12-T16 VanDerWaalsContact O-CG2 3.32Å; D12-T16 WeakPolarHBondContact O-CG2 3.45Å; D12-T16 PolarHBondContact O-N 3.47Å; D12-T16 PolarHBondContact O-OG1 3.3Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.28Å; Q13-T16 PolarHBondContact O-OG1 2.85Å; T16-Q18 VanDerWaalsContact C-N 3.29Å; T16-Q18 PolarHBondContact O-N 2.88Å
17I70.4Confident75.2Confident120 Ų120103.8 Ų103.862%0.61553%0.525SS*.SBendtrans-74.9-20.5177-66.9169.5000111.6Q13 T19Q13-I17 HydrophobicContact CB-CD1 4.05Å; Q13-I17 WeakPolarHBondContact O-CB 3.25Å; Q13-I17 WeakPolarHBondContact O-CD1 3.09Å; Q13-I17 WeakPolarHBondContact O-CG1 3.35Å; Q13-I17 PolarHBondContact O-N 2.91Å; I17-T19 PolarHBondContact O-N 3.16Å
18Q64.9Low75.2Confident94 Ų94101.1 Ų101.144%0.43951%0.514SS..  trans-75.7110.7-178.9-81173.741.500111.8L14 T16 V23L14-Q18 WeakPolarHBondContact O-CG 3.4Å; L14-Q18 PolarHBondContact O-NE2 2.86Å; T16-Q18 VanDerWaalsContact C-N 3.29Å; T16-Q18 PolarHBondContact O-N 2.88Å; Q18-V23 HydrophobicContact CB-CG2 3.94Å; Q18-V23 HydrophobicContact CG-CG2 4.12Å; Q18-V23 VanDerWaalsContact OE1-CG2 3.22Å
19T68.3Low75.1Confident90 Ų9099.8 Ų99.855%0.55251%0.507SS*.  trans-80.9153166.664.20000110.7I17 R21 S22 V23I17-T19 PolarHBondContact O-N 3.16Å; T19-R21 PolarHBondContact O-N 2.72Å; T19-S22 PolarHBondContact N-OG 3.45Å; T19-S22 PolarHBondContact O-N 3.14Å; T19-S22 PolarHBondContact O-OG 2.91Å; T19-V23 PolarHBondContact O-N 3.41Å
20Y63.8Low75.1Confident222 Ų22298.8 Ų98.887%0.87151%0.507SS*.Hα-helixtrans-51.1-32.6177.4-74.8-81.4000113.9S24Y20-S24 VanDerWaalsContact O-CB 3.31Å; Y20-S24 WeakPolarHBondContact O-CB 3.22Å; Y20-S24 PolarHBondContact O-N 2.83Å
21R66.4Low75.6Confident205 Ų205102.6 Ų102.677%0.77452%0.517SS*.Hα-helixtrans-69.2-42.8176.9-74-168.2-178-1702.7112.4T19 V23 S24 D25T19-R21 PolarHBondContact O-N 2.72Å; R21-V23 PolarHBondContact O-N 3.3Å; R21-S24 PolarHBondContact O-N 3.27Å; R21-D25 WeakPolarHBondContact O-CB 3.24Å; R21-D25 PolarHBondContact O-N 3.22Å
22S75.3Confident75.7Confident43 Ų43100.4 Ų100.430%0.30150%0.504SS..Hα-helixtrans-64.9-40.5-176.866.70000112.3T19 D25 M26T19-S22 PolarHBondContact N-OG 3.45Å; T19-S22 PolarHBondContact O-N 3.14Å; T19-S22 PolarHBondContact O-OG 2.91Å; S22-D25 PolarHBondContact O-N 2.63Å; S22-M26 WeakPolarHBondContact O-CG 3.43Å; S22-M26 PolarHBondContact O-N 3.34Å; S22-M26 VanDerWaalsContact O-N 3.08Å
23V77.4Confident75.9Confident65 Ų65106 Ų10639%0.39452%0.518SS..Hα-helixtrans-67.4-44.5176.2-177.60000111.5Q18 T19 R21 D25 M26 A27Q18-V23 HydrophobicContact CB-CG2 3.94Å; Q18-V23 HydrophobicContact CG-CG2 4.12Å; Q18-V23 VanDerWaalsContact OE1-CG2 3.22Å; T19-V23 PolarHBondContact O-N 3.41Å; R21-V23 PolarHBondContact O-N 3.3Å; V23-D25 VanDerWaalsContact C-N 3.32Å; V23-D25 PolarHBondContact O-N 3.46Å; V23-M26 PolarHBondContact O-N 3.27Å; V23-A27 PolarHBondContact O-N 2.85Å
24S75.6Confident76.3Confident73 Ų73108.1 Ų108.151%0.5153%0.53SS..Hα-helixtrans-60.8-41.4176.8-175.40000111.7Y20 R21 A27 S28Y20-S24 VanDerWaalsContact O-CB 3.31Å; Y20-S24 WeakPolarHBondContact O-CB 3.22Å; Y20-S24 PolarHBondContact O-N 2.83Å; R21-S24 PolarHBondContact O-N 3.27Å; S24-A27 PolarHBondContact O-N 3.3Å; S24-S28 WeakPolarHBondContact O-CB 3.43Å; S24-S28 PolarHBondContact O-N 3.28Å
25D78.1Confident76.8Confident95 Ų95106.2 Ų106.251%0.50852%0.52SS..Hα-helixtrans-65.7-40.4177.3-76.9-22.3000112.1R21 S22 V23 S28 N29R21-D25 WeakPolarHBondContact O-CB 3.24Å; R21-D25 PolarHBondContact O-N 3.22Å; S22-D25 PolarHBondContact O-N 2.63Å; V23-D25 VanDerWaalsContact C-N 3.32Å; V23-D25 PolarHBondContact O-N 3.46Å; D25-S28 PolarHBondContact O-N 3.2Å; D25-N29 VanDerWaalsContact O-CB 3.24Å; D25-N29 WeakPolarHBondContact O-CB 3.49Å; D25-N29 VanDerWaalsContact O-CG 3.26Å; D25-N29 PolarHBondContact O-N 2.99Å; D25-N29 PolarHBondContact O-ND2 3.12Å
26M76.9Confident77.2Confident136 Ų136102.3 Ų102.367%0.6750%0.504SS*.Hα-helixtrans-60.6-46.4173.4-72.3177.769.300111.6S22 V23 K30S22-M26 WeakPolarHBondContact O-CG 3.43Å; S22-M26 PolarHBondContact O-N 3.34Å; S22-M26 VanDerWaalsContact O-N 3.08Å; V23-M26 PolarHBondContact O-N 3.27Å; M26-K30 PolarHBondContact O-N 3.09Å
27A80.4Confident77.9Confident41 Ų41106.6 Ų106.634%0.33951%0.51SS..Hα-helixtrans-64.8-47.7177.700000111.8V23 S24 N29 K30 F31V23-A27 PolarHBondContact O-N 2.85Å; S24-A27 PolarHBondContact O-N 3.3Å; A27-N29 PolarHBondContact O-N 3.07Å; A27-K30 WeakPolarHBondContact O-CB 3.35Å; A27-K30 PolarHBondContact O-N 3.37Å; A27-K30 VanDerWaalsContact O-N 3.15Å; A27-F31 HydrophobicContact CB-CE2 4.2Å; A27-F31 WeakPolarHBondContact O-CD2 3.07Å; A27-F31 WeakPolarHBondContact O-CG 3.32Å; A27-F31 PolarHBondContact O-N 3.25Å
28S80.8Confident78.8Confident41 Ų41105.9 Ų105.929%0.28750%0.504SS..Hα-helixtrans-57.9-46177.1-178.40000111.5S24 D25 K30 F31 K32S24-S28 WeakPolarHBondContact O-CB 3.43Å; S24-S28 PolarHBondContact O-N 3.28Å; D25-S28 PolarHBondContact O-N 3.2Å; S28-K30 VanDerWaalsContact C-N 3.34Å; S28-K30 PolarHBondContact O-N 2.83Å; S28-F31 PolarHBondContact O-N 3.09Å; S28-K32 WeakPolarHBondContact O-CB 3.34Å; S28-K32 VanDerWaalsContact O-CG 3.3Å; S28-K32 WeakPolarHBondContact O-CG 3.47Å; S28-K32 PolarHBondContact O-N 3.04Å
29N80.1Confident79.9Confident66 Ų66101.8 Ų101.835%0.35349%0.485SS..Hα-helixtrans-62.4-39.3176-78.8-42.2000112.5D25 A27 K32 R33D25-N29 VanDerWaalsContact O-CB 3.24Å; D25-N29 WeakPolarHBondContact O-CB 3.49Å; D25-N29 VanDerWaalsContact O-CG 3.26Å; D25-N29 PolarHBondContact O-N 2.99Å; D25-N29 PolarHBondContact O-ND2 3.12Å; A27-N29 PolarHBondContact O-N 3.07Å; N29-K32 PolarHBondContact O-N 2.92Å; N29-R33 WeakPolarHBondContact O-CG 3.31Å; N29-R33 PolarHBondContact O-N 3.11Å
30K81.3Confident80.8Confident142 Ų142101.1 Ų101.162%0.61748%0.481SS*.Hα-helixtrans-61.6-47.1173.2-175.5-179.1178.5-178.70111.2M26 A27 S28 R33 M34M26-K30 PolarHBondContact O-N 3.09Å; A27-K30 WeakPolarHBondContact O-CB 3.35Å; A27-K30 PolarHBondContact O-N 3.37Å; A27-K30 VanDerWaalsContact O-N 3.15Å; S28-K30 VanDerWaalsContact C-N 3.34Å; S28-K30 PolarHBondContact O-N 2.83Å; K30-R33 PolarHBondContact O-N 3.04Å; K30-M34 HydrophobicContact CG-SD 4.27Å; K30-M34 WeakPolarHBondContact O-CG 3.4Å; K30-M34 PolarHBondContact O-N 3.42Å
31F84.3Confident82Confident139 Ų13995.7 Ų95.761%0.6146%0.463SS*.Hα-helixtrans-63.4-42.8177.7-67.8-53000112.5A27 S28 R33 M34 L35A27-F31 HydrophobicContact CB-CE2 4.2Å; A27-F31 WeakPolarHBondContact O-CD2 3.07Å; A27-F31 WeakPolarHBondContact O-CG 3.32Å; A27-F31 PolarHBondContact O-N 3.25Å; S28-F31 PolarHBondContact O-N 3.09Å; F31-R33 VanDerWaalsContact C-N 3.34Å; F31-R33 PolarHBondContact O-N 2.97Å; F31-M34 PolarHBondContact O-N 3.06Å; F31-L35 WeakPolarHBondContact O-CB 3.44Å; F31-L35 PolarHBondContact O-N 3.43Å
32K84.1Confident82.9Confident47 Ų4788.7 Ų88.720%0.20444%0.441CS..Hα-helixtrans-59.5-43175.3-72.7176.1179.6-176.10111.6S28 N29 N36 L61 D62S28-K32 WeakPolarHBondContact O-CB 3.34Å; S28-K32 VanDerWaalsContact O-CG 3.3Å; S28-K32 WeakPolarHBondContact O-CG 3.47Å; S28-K32 PolarHBondContact O-N 3.04Å; N29-K32 PolarHBondContact O-N 2.92Å; K32-N36 WeakPolarHBondContact O-CB 3.46Å; K32-N36 PolarHBondContact O-N 3.13Å; K32-N36 PolarHBondContact O-ND2 2.73Å; K32-L61 HydrophobicContact CB-CD2 3.97Å; K32-L61 HydrophobicContact CG-CD2 3.84Å; K32-D62 IonicContact NZ-OD2 3.27Å; K32-D62 PolarHBondContact NZ-OD2 2.9Å
33R83.4Confident83.6Confident200 Ų20088.2 Ų88.276%0.75544%0.437SS*.Hα-helixtrans-64.8-43.9175.8-75.4-179.8-179.7175.72.1112.4N29 K30 F31 N36 R37N29-R33 WeakPolarHBondContact O-CG 3.31Å; N29-R33 PolarHBondContact O-N 3.11Å; K30-R33 PolarHBondContact O-N 3.04Å; F31-R33 VanDerWaalsContact C-N 3.34Å; F31-R33 PolarHBondContact O-N 2.97Å; R33-N36 PolarHBondContact O-N 3.16Å; R33-R37 PolarHBondContact O-N 3.23Å
34M84.3Confident84.3Confident105 Ų10592.4 Ų92.452%0.51745%0.453SS..Hα-helixtrans-61.4-47.8176.3-72.11776400111.3K30 F31 N36 R37 E38K30-M34 HydrophobicContact CG-SD 4.27Å; K30-M34 WeakPolarHBondContact O-CG 3.4Å; K30-M34 PolarHBondContact O-N 3.42Å; F31-M34 PolarHBondContact O-N 3.06Å; M34-N36 PolarHBondContact O-N 3.12Å; M34-R37 WeakPolarHBondContact O-CB 3.5Å; M34-R37 PolarHBondContact O-N 3.09Å; M34-E38 PolarHBondContact O-N 2.81Å
35L86.3Confident84.9Confident62 Ų6294.8 Ų94.833%0.32546%0.457SS..Hα-helixtrans-60.6-45178.2-178.357.5000111.6F31 R37 E38 L39 I56 L61F31-L35 WeakPolarHBondContact O-CB 3.44Å; F31-L35 PolarHBondContact O-N 3.43Å; L35-R37 VanDerWaalsContact C-N 3.25Å; L35-R37 PolarHBondContact O-N 3.11Å; L35-E38 PolarHBondContact O-N 2.73Å; L35-E38 VanDerWaalsContact O-N 3.17Å; L35-L39 HydrophobicContact CD1-CD1 4.29Å; L35-L39 HydrophobicContact CD1-CD2 4.29Å; L35-L39 HydrophobicContact CD1-CG 4.01Å; L35-L39 HydrophobicContact CG-CD1 4Å; L35-L39 HydrophobicContact CG-CG 4.17Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 3.21Å; L35-I56 HydrophobicContact CD2-CG2 4.46Å; L35-L61 HydrophobicContact CB-CD2 4.43Å; L35-L61 HydrophobicContact CD2-CD1 4.5Å; L35-L61 HydrophobicContact CD2-CD2 3.83Å; L35-L61 HydrophobicContact CD2-CG 4.08Å; L35-L61 HydrophobicContact CG-CD2 4.37Å
36N85.7Confident85.4Confident73 Ų7392.6 Ų92.639%0.3945%0.45SS..Hα-helixtrans-56.9-36.3175.9-91.9-46.3000113.5K32 R33 M34 T40 L61K32-N36 WeakPolarHBondContact O-CB 3.46Å; K32-N36 PolarHBondContact O-N 3.13Å; K32-N36 PolarHBondContact O-ND2 2.73Å; R33-N36 PolarHBondContact O-N 3.16Å; M34-N36 PolarHBondContact O-N 3.12Å; N36-T40 PolarHBondContact O-N 2.98Å; N36-T40 PolarHBondContact O-OG1 2.92Å; N36-L61 WeakPolarHBondContact OD1-CD1 3.37Å
37R87.4Confident85.8Confident179 Ų17996.5 Ų96.568%0.67546%0.457SS*.Hα-helixtrans-66-45.5177.2-164.4-179.475.3176.14.6111.4R33 M34 L35 T40 H41R33-R37 PolarHBondContact O-N 3.23Å; M34-R37 WeakPolarHBondContact O-CB 3.5Å; M34-R37 PolarHBondContact O-N 3.09Å; L35-R37 VanDerWaalsContact C-N 3.25Å; L35-R37 PolarHBondContact O-N 3.11Å; R37-T40 PolarHBondContact O-N 3.43Å; R37-H41 PolarHBondContact O-N 3.12Å
38E89.1Confident86.2Confident105 Ų10598.1 Ų98.149%0.49147%0.466SS..Hα-helixtrans-66.6-39.3178.2-61.7-55.9141.400111.9M34 L35 H41 L42M34-E38 PolarHBondContact O-N 2.81Å; L35-E38 PolarHBondContact O-N 2.73Å; L35-E38 VanDerWaalsContact O-N 3.17Å; E38-H41 PolarHBondContact O-N 3.17Å; E38-L42 WeakPolarHBondContact O-CB 3.46Å; E38-L42 PolarHBondContact O-N 3.25Å
39L88.1Confident86.5Confident8 Ų896.4 Ų96.44%0.04246%0.455CS..Hα-helixtrans-65.9-36.4176.6-69.5-175.5000112.6L35 L42 S43 S53 I56 L61L35-L39 HydrophobicContact CD1-CD1 4.29Å; L35-L39 HydrophobicContact CD1-CD2 4.29Å; L35-L39 HydrophobicContact CD1-CG 4.01Å; L35-L39 HydrophobicContact CG-CD1 4Å; L35-L39 HydrophobicContact CG-CG 4.17Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 VanDerWaalsContact O-CG 3.28Å; L35-L39 WeakPolarHBondContact O-CG 3.34Å; L35-L39 PolarHBondContact O-N 3.21Å; L39-L42 PolarHBondContact O-N 3.12Å; L39-S43 WeakPolarHBondContact O-CB 3.36Å; L39-S43 PolarHBondContact O-N 3.32Å; L39-S53 WeakPolarHBondContact CB-OG 3.46Å; L39-S53 WeakPolarHBondContact O-CB 3.47Å; L39-S53 PolarHBondContact O-OG 3.17Å; L39-I56 HydrophobicContact CD1-CB 4.25Å; L39-I56 HydrophobicContact CD1-CG2 3.93Å; L39-I56 HydrophobicContact CD2-CB 3.91Å; L39-I56 HydrophobicContact CD2-CD1 3.99Å; L39-I56 HydrophobicContact CD2-CG2 3.88Å; L39-I56 HydrophobicContact CG-CG2 4.49Å; L39-L61 HydrophobicContact CD1-CD1 3.86Å
40T87.9Confident86.9Confident76 Ų7696 Ų9647%0.46645%0.453SS..Hα-helixtrans-61.6-48.9173.3-57.60000110.4N36 R37 L42 S43 E44N36-T40 PolarHBondContact O-N 2.98Å; N36-T40 PolarHBondContact O-OG1 2.92Å; R37-T40 PolarHBondContact O-N 3.43Å; T40-L42 VanDerWaalsContact C-N 3.35Å; T40-L42 PolarHBondContact O-N 2.87Å; T40-S43 WeakPolarHBondContact O-CB 3.27Å; T40-S43 PolarHBondContact O-N 3.43Å; T40-S43 VanDerWaalsContact O-N 3.14Å; T40-E44 PolarHBondContact O-N 3.23Å
41H88.4Confident87.3Confident109 Ų10995 Ų9551%0.50545%0.45SS..Hα-helixtrans-59.8-44.6176.8-176-102.2000111.7R37 E38 S43 E44 M45R37-H41 PolarHBondContact O-N 3.12Å; E38-H41 PolarHBondContact O-N 3.17Å; H41-S43 VanDerWaalsContact C-N 3.29Å; H41-S43 PolarHBondContact O-N 2.95Å; H41-E44 PolarHBondContact O-N 2.78Å; H41-M45 VanDerWaalsContact O-CG 3.28Å; H41-M45 WeakPolarHBondContact O-CG 3.47Å; H41-M45 PolarHBondContact O-N 3.32Å
42L86.1Confident87.5Confident57 Ų5791.9 Ų91.930%0.29844%0.442SS..Hα-helixtrans-61.3-35.8176.6-175.364.9000112.9E38 L39 T40 E44 M45 G49 V52E38-L42 WeakPolarHBondContact O-CB 3.46Å; E38-L42 PolarHBondContact O-N 3.25Å; L39-L42 PolarHBondContact O-N 3.12Å; T40-L42 VanDerWaalsContact C-N 3.35Å; T40-L42 PolarHBondContact O-N 2.87Å; L42-E44 VanDerWaalsContact C-N 3.35Å; L42-M45 PolarHBondContact O-N 3.26Å; L42-G49 CarbonylContact O-C 3.59Å; L42-G49 VanDerWaalsContact O-CA 3.32Å; L42-G49 WeakPolarHBondContact O-CA 3.45Å; L42-V52 HydrophobicContact CD2-CB 4.39Å; L42-V52 HydrophobicContact CD2-CG1 4Å
43S90.1Very high87.7Confident33 Ų3390.2 Ų90.223%0.23144%0.436CS..Hα-helixtrans-66.6-36.6179.3-170.60000112.6L39 T40 H41 N50L39-S43 WeakPolarHBondContact O-CB 3.36Å; L39-S43 PolarHBondContact O-N 3.32Å; T40-S43 WeakPolarHBondContact O-CB 3.27Å; T40-S43 PolarHBondContact O-N 3.43Å; T40-S43 VanDerWaalsContact O-N 3.14Å; H41-S43 VanDerWaalsContact C-N 3.29Å; H41-S43 PolarHBondContact O-N 2.95Å; S43-N50 PolarHBondContact OG-ND2 3.4Å
44E91.1Very high87.8Confident153 Ų15386.1 Ų86.172%0.71543%0.426SS*.Hα-helixtrans-76.1-24.7179.8-67.9176-178.900113T40 H41 L42T40-E44 PolarHBondContact O-N 3.23Å; H41-E44 PolarHBondContact O-N 2.78Å; L42-E44 VanDerWaalsContact C-N 3.35Å
45M88.7Confident88Confident123 Ų12387.2 Ų87.261%0.60643%0.428SS*.Hα-helixtrans-69.8-34.4-175.5-73.3172.278.400114.2H41 L42H41-M45 VanDerWaalsContact O-CG 3.28Å; H41-M45 WeakPolarHBondContact O-CG 3.47Å; H41-M45 PolarHBondContact O-N 3.32Å; L42-M45 PolarHBondContact O-N 3.26Å
46S89Confident88.1Confident50 Ų5086.3 Ų86.335%0.3542%0.423SS..  trans-167.4161.4-179.162.30000112.4S48 G49 N50S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 PolarHBondContact OG-OG 3.37Å; S46-G49 CarbonylContact O-C 3.56Å; S46-G49 WeakPolarHBondContact O-CA 2.99Å; S46-G49 PolarHBondContact O-N 3.29Å; S46-G49 PolarHBondContact OG-N 3.5Å; S46-N50 PolarHBondContact O-N 3.01Å
47R85.5Confident88.2Confident217 Ų21784.1 Ų84.182%0.81941%0.414SS*.Hα-helixtrans-60.4-34.3172.9-171.5176.5175.4176.8-0.2112.9Q51R47-Q51 PolarHBondContact O-N 2.94Å
48S89Confident88.1Confident76 Ų7680.1 Ų80.153%0.53141%0.406SS..Hα-helixtrans-70.2-38.417242.50000112S46 N50 Q51 V52S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 PolarHBondContact OG-OG 3.37Å; S48-N50 VanDerWaalsContact C-N 3.34Å; S48-Q51 PolarHBondContact O-N 3.43Å; S48-V52 WeakPolarHBondContact O-CG2 3.28Å; S48-V52 PolarHBondContact O-N 3.33Å
49G86.4Confident88Confident5 Ų578.8 Ų78.85%0.05241%0.405CS..Hα-helixtrans-63.1-39.6174.900000112.2L42 S46 V52 S53L42-G49 CarbonylContact O-C 3.59Å; L42-G49 VanDerWaalsContact O-CA 3.32Å; L42-G49 WeakPolarHBondContact O-CA 3.45Å; S46-G49 CarbonylContact O-C 3.56Å; S46-G49 WeakPolarHBondContact O-CA 2.99Å; S46-G49 PolarHBondContact O-N 3.29Å; S46-G49 PolarHBondContact OG-N 3.5Å; G49-V52 PolarHBondContact O-N 3.2Å; G49-S53 WeakPolarHBondContact O-CB 3.29Å; G49-S53 PolarHBondContact O-N 3.38Å
50N89.5Confident87.9Confident57 Ų5785.1 Ų85.131%0.30543%0.432SS..Hα-helixtrans-59-49.6172-175.1-48.3000111.9S43 S46 S48 V52 S53 E54S43-N50 PolarHBondContact OG-ND2 3.4Å; S46-N50 PolarHBondContact O-N 3.01Å; S48-N50 VanDerWaalsContact C-N 3.34Å; N50-V52 VanDerWaalsContact C-N 3.35Å; N50-V52 PolarHBondContact O-N 3.46Å; N50-S53 WeakPolarHBondContact O-CB 3.47Å; N50-S53 PolarHBondContact O-N 3.25Å; N50-S53 VanDerWaalsContact O-N 3.16Å; N50-E54 PolarHBondContact O-N 2.73Å
51Q88.4Confident87.5Confident122 Ų12282.1 Ų82.157%0.5741%0.413SS*.Hα-helixtrans-61.4-40.6178.4-70.9178.8-21.400113.2R47 S48 F55R47-Q51 PolarHBondContact O-N 2.94Å; S48-Q51 PolarHBondContact O-N 3.43Å; Q51-F55 WeakPolarHBondContact O-CB 3.35Å; Q51-F55 PolarHBondContact O-N 2.82Å
52V88.6Confident86.6Confident72 Ų7282.8 Ų82.844%0.43642%0.42SS..Hα-helixtrans-67.6-40.6176.3173.70000110.6L42 S48 G49 N50 F55 I56L42-V52 HydrophobicContact CD2-CB 4.39Å; L42-V52 HydrophobicContact CD2-CG1 4Å; S48-V52 WeakPolarHBondContact O-CG2 3.28Å; S48-V52 PolarHBondContact O-N 3.33Å; G49-V52 PolarHBondContact O-N 3.2Å; N50-V52 VanDerWaalsContact C-N 3.35Å; N50-V52 PolarHBondContact O-N 3.46Å; V52-F55 PolarHBondContact O-N 3.47Å; V52-I56 HydrophobicContact CG1-CD1 3.71Å; V52-I56 HydrophobicContact CG1-CG1 4.32Å; V52-I56 VanDerWaalsContact O-CG1 3.31Å; V52-I56 WeakPolarHBondContact O-CG1 3.36Å; V52-I56 PolarHBondContact O-N 3.47Å
53S87.8Confident85.4Confident12 Ų1284.6 Ų84.68%0.08443%0.426CS..Hα-helixtrans-61.6-46.7176.6-179.30000111.9L39 G49 N50 F55 I56 S57L39-S53 WeakPolarHBondContact CB-OG 3.46Å; L39-S53 WeakPolarHBondContact O-CB 3.47Å; L39-S53 PolarHBondContact O-OG 3.17Å; G49-S53 WeakPolarHBondContact O-CB 3.29Å; G49-S53 PolarHBondContact O-N 3.38Å; N50-S53 WeakPolarHBondContact O-CB 3.47Å; N50-S53 PolarHBondContact O-N 3.25Å; N50-S53 VanDerWaalsContact O-N 3.16Å; S53-F55 PolarHBondContact O-N 3.18Å; S53-I56 PolarHBondContact O-N 2.88Å; S53-S57 VanDerWaalsContact O-CB 3.22Å; S53-S57 WeakPolarHBondContact O-CB 3.47Å; S53-S57 PolarHBondContact O-N 3.23Å
54E87.4Confident83.3Confident114 Ų11490.2 Ų90.253%0.53345%0.448SS..Hα-helixtrans-60-44.2173.6-75.4-174.4164.600111.9N50 N58N50-E54 PolarHBondContact O-N 2.73Å; E54-N58 VanDerWaalsContact O-CB 3.26Å; E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.14Å; E54-N58 PolarHBondContact O-ND2 2.99Å
55F88.4Confident80.9Confident128 Ų12887.6 Ų87.656%0.56144%0.44SS*.Hα-helixtrans-61.4-49.1177.7171.9-104.3000112Q51 V52 S53 N58 T59 F60Q51-F55 WeakPolarHBondContact O-CB 3.35Å; Q51-F55 PolarHBondContact O-N 2.82Å; V52-F55 PolarHBondContact O-N 3.47Å; S53-F55 PolarHBondContact O-N 3.18Å; F55-N58 PolarHBondContact O-N 2.94Å; F55-T59 VanDerWaalsContact O-CB 3.23Å; F55-T59 WeakPolarHBondContact O-CB 3.41Å; F55-T59 PolarHBondContact O-N 3.41Å; F55-T59 PolarHBondContact O-OG1 2.86Å; F55-F60 HydrophobicContact CE1-CE2 4.3Å
56I87.8Confident78.4Confident44 Ų4487.6 Ų87.623%0.22644%0.438CS..Hα-helixtrans-65.5-44.8-178.7-64168.7000110.2L35 L39 V52 S53 N58 T59 F60L35-I56 HydrophobicContact CD2-CG2 4.46Å; L39-I56 HydrophobicContact CD1-CB 4.25Å; L39-I56 HydrophobicContact CD1-CG2 3.93Å; L39-I56 HydrophobicContact CD2-CB 3.91Å; L39-I56 HydrophobicContact CD2-CD1 3.99Å; L39-I56 HydrophobicContact CD2-CG2 3.88Å; L39-I56 HydrophobicContact CG-CG2 4.49Å; V52-I56 HydrophobicContact CG1-CD1 3.71Å; V52-I56 HydrophobicContact CG1-CG1 4.32Å; V52-I56 VanDerWaalsContact O-CG1 3.31Å; V52-I56 WeakPolarHBondContact O-CG1 3.36Å; V52-I56 PolarHBondContact O-N 3.47Å; S53-I56 PolarHBondContact O-N 2.88Å; I56-N58 PolarHBondContact O-N 3.39Å; I56-T59 PolarHBondContact O-N 3.5Å; I56-F60 HydrophobicContact CB-CD2 4.42Å; I56-F60 HydrophobicContact CG2-CD2 3.98Å; I56-F60 PolarHBondContact O-N 2.74Å
57S86.8Confident75.8Confident27 Ų2790.1 Ų90.119%0.18945%0.451CS..Hα-helixtrans-61-45.8178.4-176.30000111.8S53 T59 L61S53-S57 VanDerWaalsContact O-CB 3.22Å; S53-S57 WeakPolarHBondContact O-CB 3.47Å; S53-S57 PolarHBondContact O-N 3.23Å; S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact O-N 3.36Å; S57-L61 WeakPolarHBondContact O-CB 3.35Å; S57-L61 PolarHBondContact O-N 2.79Å; S57-L61 VanDerWaalsContact O-O 3.14Å
58N86.1Confident73.3Confident95 Ų9586.4 Ų86.451%0.50844%0.443SS..Hα-helixtrans-72.1-21.1-179.7-67.9-31.7000113.9E54 F55 I56 K63E54-N58 VanDerWaalsContact O-CB 3.26Å; E54-N58 WeakPolarHBondContact O-CB 3.31Å; E54-N58 PolarHBondContact O-N 3.14Å; E54-N58 PolarHBondContact O-ND2 2.99Å; F55-N58 PolarHBondContact O-N 2.94Å; I56-N58 PolarHBondContact O-N 3.39Å; N58-K63 WeakPolarHBondContact OD1-CE 3.39Å; N58-K63 PolarHBondContact OD1-NZ 3.24Å
59T87.3Confident70.9Confident77 Ų7786.7 Ų86.747%0.47244%0.438SS..Hα-helixtrans-100.8-40.1-173.4-52.20000113F55 I56 S57F55-T59 VanDerWaalsContact O-CB 3.23Å; F55-T59 WeakPolarHBondContact O-CB 3.41Å; F55-T59 PolarHBondContact O-N 3.41Å; F55-T59 PolarHBondContact O-OG1 2.86Å; I56-T59 PolarHBondContact O-N 3.5Å; S57-T59 VanDerWaalsContact C-N 3.3Å; S57-T59 PolarHBondContact O-N 3.36Å
60F85.1Confident68.2Low140 Ų14092.1 Ų92.161%0.61447%0.472SS*.Hα-helixtrans-115.3-11.4-169.8-59.1-79.6000113.9F55 I56F55-F60 HydrophobicContact CE1-CE2 4.3Å; I56-F60 HydrophobicContact CB-CD2 4.42Å; I56-F60 HydrophobicContact CG2-CD2 3.98Å; I56-F60 PolarHBondContact O-N 2.74Å
61L80.3Confident65.3Low13 Ų1393.5 Ų93.57%0.06849%0.486CS..SBendtrans-102.4121.4169.4-65.3173000108.2K32 L35 N36 L39 S57 K63K32-L61 HydrophobicContact CB-CD2 3.97Å; K32-L61 HydrophobicContact CG-CD2 3.84Å; L35-L61 HydrophobicContact CB-CD2 4.43Å; L35-L61 HydrophobicContact CD2-CD1 4.5Å; L35-L61 HydrophobicContact CD2-CD2 3.83Å; L35-L61 HydrophobicContact CD2-CG 4.08Å; L35-L61 HydrophobicContact CG-CD2 4.37Å; N36-L61 WeakPolarHBondContact OD1-CD1 3.37Å; L39-L61 HydrophobicContact CD1-CD1 3.86Å; S57-L61 WeakPolarHBondContact O-CB 3.35Å; S57-L61 PolarHBondContact O-N 2.79Å; S57-L61 VanDerWaalsContact O-O 3.14Å; L61-K63 PolarHBondContact O-N 3.28Å
62D68.6Low62.7Low123 Ų12393.3 Ų93.366%0.65850%0.496SS*.  trans-58.1109.8159.3-78.1-43.6000107.3K32 Q64K32-D62 IonicContact NZ-OD2 3.27Å; K32-D62 PolarHBondContact NZ-OD2 2.9Å; D62-Q64 PolarHBondContact O-N 2.99Å
63K60.8Low60Low95 Ų9595.7 Ų95.741%0.41351%0.51SS..  trans-65.392.4157.5-68.6-172.2-177177.20105.8N58 L61 N65 E66N58-K63 WeakPolarHBondContact OD1-CE 3.39Å; N58-K63 PolarHBondContact OD1-NZ 3.24Å; L61-K63 PolarHBondContact O-N 3.28Å; K63-N65 PolarHBondContact O-N 2.94Å; K63-E66 HydrophobicContact CD-CB 4.23Å
64Q47.2Very low57.5Low151 Ų151100 Ų10071%0.70654%0.54SS*.THydrogen-bonded Turntrans-53.1101.1151.6-77.1-177.8-1700105.4D62D62-Q64 PolarHBondContact O-N 2.99Å
65N40.6Very low55.1Low99 Ų99103.5 Ų103.553%0.52955%0.554SS.*THydrogen-bonded Turntrans113.15.8168.2-55.9-32.2000121.8K63 K291K63-N65 PolarHBondContact O-N 2.94Å; N65-K291 WeakPolarHBondContact OD1-CE 3.5Å
66E35.1Very low52.5Low123 Ų123103.2 Ų103.258%0.57556%0.563SS**  trans-139.489169.7-72.6-166.9161.400113.7K63 E68K63-E66 HydrophobicContact CD-CB 4.23Å; E66-E68 PolarHBondContact O-N 3.32Å
67V35.7Very low50Low103 Ų103112.4 Ų112.462%0.62460%0.595SS**  trans-76.199.1161.7-168.40000107.8I69 Q287V67-I69 HydrophobicContact CG1-CD1 3.95Å; V67-I69 HydrophobicContact CG1-CG1 3.67Å; V67-I69 PolarHBondContact O-N 3.08Å; V67-Q287 PolarHBondContact O-NE2 2.83Å
68E31.6Very low47.5Very low138 Ų138118.7 Ų118.765%0.64562%0.621SS**  trans-76115.2164.8-79.1-143.311200109.9E66 K283E66-E68 PolarHBondContact O-N 3.32Å; E68-K283 IonicContact OE1-NZ 2.85Å; E68-K283 PolarHBondContact OE1-NZ 3.08Å
69I38.8Very low44.9Very low83 Ų83124.7 Ų124.743%0.42664%0.643SS.*  trans-113.7138.6171.3-54.7-176.1000108.7V67V67-I69 HydrophobicContact CG1-CD1 3.95Å; V67-I69 HydrophobicContact CG1-CG1 3.67Å; V67-I69 PolarHBondContact O-N 3.08Å
70P30.5Very low42.4Very low118 Ų118130.9 Ų130.977%0.76666%0.663SS**  trans-60.1137.5175.7-18.830.6000111.8
71S27.9Very low39.9Very low87 Ų87132.7 Ų132.761%0.60867%0.671SS**  trans-60.9142.717456.10000111.6T73S71-T73 PolarHBondContact O-N 3.46Å
72P35.1Very low37.8Very low118 Ų118141.2 Ų141.277%0.76671%0.71SS**  trans-62.9109.5166.225.8-29.7000107.9S74P72-S74 PolarHBondContact O-N 2.98Å
73T31.3Very low36.3Very low121 Ų121144.4 Ų144.474%0.74272%0.721SS**  trans-62134.6175.834.10000109.2S71 K75S71-T73 PolarHBondContact O-N 3.46Å; T73-K75 PolarHBondContact O-N 2.93Å
74S34.1Very low35.2Very low103 Ų103149.5 Ų149.572%0.7274%0.743SS**  trans-51.5126.7177.948.50000111.3P72 T76P72-S74 PolarHBondContact O-N 2.98Å; S74-T76 PolarHBondContact O-N 2.97Å
75K37.8Very low34.6Very low187 Ų187150.5 Ų150.581%0.81375%0.748SS**THydrogen-bonded Turntrans-68.547.9179.9-69.9-179.2178.6167.90113.4T73T73-K75 PolarHBondContact O-N 2.93Å
76T34.8Very low34.5Very low123 Ų123155 Ų15576%0.75577%0.766SS**THydrogen-bonded Turntrans-112.6-0.2-177.5-40.20000114.6S74S74-T76 PolarHBondContact O-N 2.97Å
77R34.8Very low34.5Very low236 Ų236154.9 Ų154.989%0.89177%0.768SS**SBendtrans-154.457-179.7-145.9175.4178.1-176.7-1.5117.4
78E33.8Very low34.5Very low160 Ų160159.5 Ų159.575%0.74879%0.786SS**  trans-160.750.8159.8-117.7171.5-151.500115.9K80E78-K80 PolarHBondContact O-N 2.89Å
79K32.8Very low34.9Very low221 Ų221158.2 Ų158.296%0.96179%0.787SS**THydrogen-bonded Turntrans-73.325.2173-99.1-175.3179.6178.40115.3
80K32.9Very low35Very low206 Ų206161.9 Ų161.990%0.89680%0.803SS**THydrogen-bonded Turntrans-135.59.8-176.3-90.9-169.7177.3-178.70118.1E78E78-K80 PolarHBondContact O-N 2.89Å
81K33.3Very low35.9Very low179 Ų179158.5 Ų158.578%0.77878%0.778SS**  trans-135.913178.9-88.8-173.1177-179.80117.1Q83K81-Q83 PolarHBondContact O-N 3.26Å
82Q36.6Very low36.6Very low192 Ų192158.8 Ų158.890%0.89778%0.78SS**  trans-89.776.2173.8-82.1175.2-8.100111.4
83Q37.5Very low37Very low189 Ų189155.3 Ų155.388%0.88377%0.765SS**SBendtrans-155.540.5164.2-130.9-178.842.900112K81K81-Q83 PolarHBondContact O-N 3.26Å
84K37.1Very low37.9Very low202 Ų202151.2 Ų151.288%0.87874%0.74SS**SBendtrans-168.222.3167-122.9176.1-177.3-174.40120.7
85Q35.2Very low38.8Very low173 Ų173154.4 Ų154.481%0.80874%0.741SS**  trans-138.497.8169.9-84.9176-10.600109.9L87Q85-L87 PolarHBondContact O-N 3.05Å
86Q36.9Very low39.3Very low192 Ų192153.6 Ų153.690%0.89774%0.737SS**  trans-70.4100.9157.8-89.5174.3-27.900106.4
87L35.9Very low40.2Very low121 Ų121150.3 Ų150.363%0.63472%0.717SS**  trans-81145.8165.5-74155.6000107.6Q85 T89Q85-L87 PolarHBondContact O-N 3.05Å; L87-T89 PolarHBondContact O-N 3.13Å
88M35.3Very low40.5Very low200 Ų200144.2 Ų144.299%0.98571%0.711SS**SBendtrans-66.546.9177-69-101-72.700112.6
89T39.8Very low41Very low111 Ų111140.3 Ų140.368%0.68169%0.692SS**  trans-122.614.3-173.744.80000113.1L87L87-T89 PolarHBondContact O-N 3.13Å
90Q40.7Very low41.2Very low161 Ų161132.2 Ų132.275%0.75267%0.672SS**  trans-88.1109.1165.6-69.8-172.5-9.900107.7S92Q90-S92 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 3.01Å
91I51.2Low41.3Very low47 Ų47128 Ų12824%0.24167%0.668CS.*  trans-63.9104.2159.5-59.2173.1000104.8G93 V94 A264 K268I91-G93 PolarHBondContact O-N 3.33Å; I91-G93 VanDerWaalsContact O-N 3.11Å; I91-V94 HydrophobicContact CB-CG2 4.16Å; I91-V94 HydrophobicContact CG2-CG2 4Å; I91-A264 HydrophobicContact CD1-CB 4.14Å; I91-K268 HydrophobicContact CD1-CB 4.32Å; I91-K268 HydrophobicContact CD1-CG 4.36Å
92S40.7Very low41.6Very low92 Ų92123.5 Ų123.564%0.64366%0.659SS**THydrogen-bonded Turntrans-61.3110.2170.8-66.60000107.4Q90Q90-S92 VanDerWaalsContact C-N 3.34Å; Q90-S92 PolarHBondContact O-N 3.01Å
93G45.3Very low42.1Very low45 Ų45119.4 Ų119.446%0.46464%0.643SS.*THydrogen-bonded Turntrans140.2-30.2177.900000115.4I91 K95I91-G93 PolarHBondContact O-N 3.33Å; I91-G93 VanDerWaalsContact O-N 3.11Å; G93-K95 PolarHBondContact O-N 2.94Å
94V49.7Very low42.2Very low35 Ų35114.8 Ų114.821%0.21263%0.632CS.*  trans-72.393178.2-174.30000109.1I91 K96 H181 V265 L269I91-V94 HydrophobicContact CB-CG2 4.16Å; I91-V94 HydrophobicContact CG2-CG2 4Å; V94-K96 PolarHBondContact O-N 3.48Å; V94-H181 WeakPolarHBondContact CG1-NE2 3.3Å; V94-V265 HydrophobicContact CG2-CG2 4.34Å; V94-L269 HydrophobicContact CG1-CD2 3.99Å
95K53.3Low42.2Very low171 Ų171113.3 Ų113.374%0.74363%0.633SS**  trans-62.3125.9176-74176-174.5162.20107.9G93 V97 H181G93-K95 PolarHBondContact O-N 2.94Å; K95-V97 VanDerWaalsContact C-N 3.34Å; K95-V97 WeakPolarHBondContact O-CG2 3.45Å; K95-V97 PolarHBondContact O-N 3.48Å; K95-H181 PolarHBondContact O-NE2 2.88Å
96K48.6Very low42.9Very low170 Ų170107.6 Ų107.674%0.73961%0.612SS**  trans-68.295.5173.6-166175.1-173177.90109V94 S98V94-K96 PolarHBondContact O-N 3.48Å; K96-S98 PolarHBondContact O-N 3.08Å; K96-S98 VanDerWaalsContact O-N 3.09Å
97V52.7Low44.2Very low54 Ų54103.6 Ų103.633%0.32761%0.606SS.*  trans-73.4103.4176.4-169.20000107.6K95 H99 D180K95-V97 VanDerWaalsContact C-N 3.34Å; K95-V97 WeakPolarHBondContact O-CG2 3.45Å; K95-V97 PolarHBondContact O-N 3.48Å; V97-H99 PolarHBondContact O-N 3.04Å; V97-H99 VanDerWaalsContact O-N 3.12Å; V97-D180 HydrophobicContact CG1-CB 4.42Å; V97-D180 HydrophobicContact CG2-CB 4.15Å
98S41.7Very low46.1Very low108 Ų108101.5 Ų101.576%0.75559%0.594SS**  trans-78.892.7173.7173.10000108.3K96 G100K96-S98 PolarHBondContact O-N 3.08Å; K96-S98 VanDerWaalsContact O-N 3.09Å; S98-G100 PolarHBondContact O-N 3.13Å
99H43.7Very low48.4Very low77 Ų7793 Ų9336%0.35656%0.555SS.*  trans-58.5110.2160.7-67.8-56.7000107.5V97 T177 D180V97-H99 PolarHBondContact O-N 3.04Å; V97-H99 VanDerWaalsContact O-N 3.12Å; H99-T177 PolarHBondContact NE2-OG1 3.45Å; H99-D180 IonicContact CE1-OD2 3.43Å; H99-D180 PolarHBondContact CE1-OD2 3Å; H99-D180 VanDerWaalsContact CE1-OD2 3.23Å; H99-D180 IonicContact NE2-OD2 3.7Å
100G36.3Very low50.6Low52 Ų5294.7 Ų94.754%0.53655%0.549SS..  trans-50.7146.9170.500000108.8S98 S102S98-G100 PolarHBondContact O-N 3.13Å; G100-S102 PolarHBondContact O-N 2.94Å
101S35.9Very low53Low117 Ų11787.8 Ų87.882%0.81852%0.516SS*.SBendtrans-63.655.4-178.454.20000113.6S104S101-S104 PolarHBondContact O-OG 3.41Å
102S39.4Very low54.8Low84 Ų8485.7 Ų85.759%0.58751%0.507SS*.  trans-109.50.6-177.3-1700000112.6G100G100-S102 PolarHBondContact O-N 2.94Å
103L46.6Very low57.3Low106 Ų10681.4 Ų81.456%0.55548%0.477SS*.  trans-857.3167-73.6166.6000112.6N105L103-N105 PolarHBondContact O-N 2.95Å
104S39.4Very low59.5Low93 Ų9384.9 Ų84.965%0.6548%0.479SS*.SBendtrans-77.5104.4170.1590000110.2S101S101-S104 PolarHBondContact O-OG 3.41Å
105N38.4Very low61.4Low170 Ų17083.8 Ų83.891%0.90947%0.472SS*.SBendtrans79.321.9164.9-68.2-12.9000120.8L103L103-N105 PolarHBondContact O-N 2.95Å
106S48.8Very low63.3Low53 Ų5383.8 Ų83.837%0.37148%0.48SS..PPolyproline II helixtrans-98.5129.116364.90000110.9I108 K114S106-I108 PolarHBondContact O-N 3.45Å; S106-K114 PolarHBondContact OG-NZ 2.91Å
107S65Low65.4Low109 Ų10978.9 Ų78.976%0.76246%0.459SS*.PPolyproline II helixtrans-46.3136.8167.650.30000110.4S109S107-S109 PolarHBondContact O-N 3.41Å
108I75.7Confident67.3Low76 Ų7679.7 Ų79.739%0.3946%0.459SS..PPolyproline II helixtrans-56.5126.6177.7-61.3171.3000108.2S106 Y152 A168 D169 V172S106-I108 PolarHBondContact O-N 3.45Å; I108-Y152 HydrophobicContact CG2-CE2 4.41Å; I108-A168 HydrophobicContact CD1-CB 3.37Å; I108-D169 HydrophobicContact CD1-CB 4.27Å; I108-V172 HydrophobicContact CG2-CG2 4.34Å
109S83.6Confident69.7Low23 Ų2382.6 Ų82.616%0.16146%0.461CS..PPolyproline II helixtrans-59150.8179.2-64.10000110.9S107 F111 G112 V113 K114S107-S109 PolarHBondContact O-N 3.41Å; S109-F111 PolarHBondContact O-N 3.27Å; S109-G112 PolarHBondContact O-N 3.46Å; S109-V113 WeakPolarHBondContact CB-O 3.39Å; S109-V113 PolarHBondContact OG-O 2.83Å; S109-K114 WeakPolarHBondContact OG-CG 3.24Å
110R86.4Confident72.2Confident145 Ų14583 Ų8355%0.54746%0.463SS..THydrogen-bonded Turntrans-52-36.8-173.9-179176174.2-166.7-8.8113.2S122 Y152R110-S122 PolarHBondContact NH2-OG 3.46Å; R110-Y152 WeakPolarHBondContact O-CE1 3.18Å
111F90.1Very high75Confident16 Ų1680.5 Ų80.57%0.0744%0.437CS..THydrogen-bonded Turntrans-112.320.3-177.5-54.8-67000113.3S109 V113 E118 L121 L125S109-F111 PolarHBondContact O-N 3.27Å; F111-V113 HydrophobicContact CB-CG2 4.23Å; F111-V113 PolarHBondContact O-N 3.47Å; F111-E118 HydrophobicContact CE2-CB 4.24Å; F111-E118 WeakPolarHBondContact CE2-O 3.19Å; F111-L121 HydrophobicContact CB-CD2 4Å; F111-L121 HydrophobicContact CD2-CD2 3.69Å; F111-L121 HydrophobicContact CD2-CG 4.14Å; F111-L121 HydrophobicContact CE2-CD2 4.4Å; F111-L121 HydrophobicContact CE2-CG 4.43Å; F111-L121 HydrophobicContact CG-CD2 3.95Å; F111-L121 HydrophobicContact CG-CG 4.38Å; F111-L125 HydrophobicContact CD1-CD1 3.38Å; F111-L125 HydrophobicContact CE1-CD1 3.58Å; F111-L125 HydrophobicContact CG-CD1 4.09Å; F111-L125 HydrophobicContact CZ-CD1 4.43Å
112G90.1Very high77.8Confident4 Ų476.2 Ų76.24%0.04141%0.407CS..SBendtrans72.4-13.5-175.700000114.7S109 V172S109-G112 PolarHBondContact O-N 3.46Å; G112-V172 WeakPolarHBondContact O-CG1 3.3Å
113V92.6Very high80.4Confident2 Ų278.8 Ų78.81%0.01241%0.408CS..SBendtrans-117.5148.2179.2-610000111.5S109 F111 L121 R145 T148 C149S109-V113 WeakPolarHBondContact CB-O 3.39Å; S109-V113 PolarHBondContact OG-O 2.83Å; F111-V113 HydrophobicContact CB-CG2 4.23Å; F111-V113 PolarHBondContact O-N 3.47Å; V113-L121 HydrophobicContact CG2-CD2 4.2Å; V113-R145 HydrophobicContact CG1-CB 3.73Å; V113-T148 HydrophobicContact CG1-CG2 3.77Å; V113-C149 HydrophobicContact CG1-CB 4.24Å; V113-C149 HydrophobicContact CG2-CB 4.21Å
114K90.9Very high82.8Confident117 Ų11775.8 Ų75.851%0.50939%0.391SS..  trans-88.9120.5173.7-69.3177.8-179.8178.60108.9S106 S109 N143S106-K114 PolarHBondContact OG-NZ 2.91Å; S109-K114 WeakPolarHBondContact OG-CG 3.24Å; K114-N143 PolarHBondContact O-ND2 3.39Å
115T91.4Very high85.4Confident12 Ų1272.4 Ų72.47%0.07437%0.365CS..  trans-148.2149.5177-178.80000111.3K117 E118 L121 Y141T115-K117 VanDerWaalsContact C-N 3.29Å; T115-K117 PolarHBondContact OG1-N 2.86Å; T115-K117 VanDerWaalsContact OG1-N 3.09Å; T115-E118 HydrophobicContact CG2-CG 3.88Å; T115-E118 WeakPolarHBondContact O-CG 3.48Å; T115-L121 HydrophobicContact CG2-CD2 4Å; T115-Y141 VanDerWaalsContact CB-O 3.23Å; T115-Y141 WeakPolarHBondContact CB-O 3.34Å; T115-Y141 WeakPolarHBondContact CG2-O 3.39Å; T115-Y141 PolarHBondContact OG1-O 3.21Å
116D91.2Very high88.2Confident171 Ų17171.1 Ų71.191%0.91435%0.354SS*.SBendtrans-83.7-9.2172.2-61.7-31.1000111.8
117K93.2Very high90.5Very high68 Ų6871.3 Ų71.330%0.29635%0.351SS..  trans-102.737.3-178.7-61.3-177.7-178.9172.30112.6T115 E119 Q120 L121 E140 Y141T115-K117 VanDerWaalsContact C-N 3.29Å; T115-K117 PolarHBondContact OG1-N 2.86Å; T115-K117 VanDerWaalsContact OG1-N 3.09Å; K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 2.99Å; K117-Q120 VanDerWaalsContact CA-OE1 3.31Å; K117-Q120 PolarHBondContact O-N 2.93Å; K117-Q120 PolarHBondContact O-OE1 3.46Å; K117-L121 WeakPolarHBondContact O-CB 3.46Å; K117-L121 PolarHBondContact O-N 3.17Å; K117-E140 IonicContact NZ-OE1 3.82Å; K117-E140 PolarHBondContact NZ-OE1 3.25Å; K117-Y141 HydrophobicContact CB-CD1 4.42Å; K117-Y141 HydrophobicContact CB-CG 4.48Å; K117-Y141 HydrophobicContact CD-CD1 3.43Å; K117-Y141 VanDerWaalsContact CD-CD1 3.43Å; K117-Y141 HydrophobicContact CD-CE1 4.01Å; K117-Y141 HydrophobicContact CD-CG 4.26Å
118E92.4Very high92.1Very high71 Ų7166.6 Ų66.633%0.33232%0.317SS..Hα-helixtrans-60.6-34.8-175.4-69.1-163.6160.200113.4F111 T115 S122F111-E118 HydrophobicContact CE2-CB 4.24Å; F111-E118 WeakPolarHBondContact CE2-O 3.19Å; T115-E118 HydrophobicContact CG2-CG 3.88Å; T115-E118 WeakPolarHBondContact O-CG 3.48Å; E118-S122 WeakPolarHBondContact O-CB 3.31Å; E118-S122 PolarHBondContact O-N 3.25Å
119E93.8Very high93.1Very high168 Ų16866.7 Ų66.779%0.78532%0.318SS*.Hα-helixtrans-69.6-44.6179.8-68.3-176.2176.100111.9K117 S122 K123K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 2.99Å; E119-S122 WeakPolarHBondContact O-CB 3.47Å; E119-S122 PolarHBondContact O-N 3.17Å; E119-K123 PolarHBondContact O-N 2.7Å; E119-K123 VanDerWaalsContact O-N 3.13Å
120Q95.2Very high93.8Very high86 Ų8671.3 Ų71.340%0.40234%0.336SS..Hα-helixtrans-65.4-42.9176.3-60.393.1-32.700110.8K117 S122 K123 E124 Y141K117-Q120 VanDerWaalsContact CA-OE1 3.31Å; K117-Q120 PolarHBondContact O-N 2.93Å; K117-Q120 PolarHBondContact O-OE1 3.46Å; Q120-S122 VanDerWaalsContact C-N 3.32Å; Q120-S122 PolarHBondContact O-N 2.82Å; Q120-K123 WeakPolarHBondContact O-CB 3.2Å; Q120-K123 PolarHBondContact O-N 2.7Å; Q120-K123 VanDerWaalsContact O-N 3.13Å; Q120-E124 PolarHBondContact O-N 3.46Å; Q120-E124 VanDerWaalsContact O-N 3.11Å; Q120-Y141 HydrophobicContact CB-CD1 4.5Å; Q120-Y141 HydrophobicContact CB-CD2 3.61Å; Q120-Y141 HydrophobicContact CB-CE1 4.39Å; Q120-Y141 HydrophobicContact CB-CE2 3.49Å; Q120-Y141 VanDerWaalsContact CB-CE2 3.49Å; Q120-Y141 HydrophobicContact CB-CG 4.13Å; Q120-Y141 HydrophobicContact CG-CE2 4.45Å
121L94.3Very high94.3Very high0 Ų067.1 Ų67.10%032%0.32CS..Hα-helixtrans-60.5-42175-17658.1000111.7F111 V113 T115 K117 K123 E124 L125 V138F111-L121 HydrophobicContact CB-CD2 4Å; F111-L121 HydrophobicContact CD2-CD2 3.69Å; F111-L121 HydrophobicContact CD2-CG 4.14Å; F111-L121 HydrophobicContact CE2-CD2 4.4Å; F111-L121 HydrophobicContact CE2-CG 4.43Å; F111-L121 HydrophobicContact CG-CD2 3.95Å; F111-L121 HydrophobicContact CG-CG 4.38Å; V113-L121 HydrophobicContact CG2-CD2 4.2Å; T115-L121 HydrophobicContact CG2-CD2 4Å; K117-L121 WeakPolarHBondContact O-CB 3.46Å; K117-L121 PolarHBondContact O-N 3.17Å; L121-K123 PolarHBondContact O-N 2.97Å; L121-E124 PolarHBondContact O-N 3.25Å; L121-L125 HydrophobicContact CD1-CD1 4.23Å; L121-L125 HydrophobicContact CD1-CG 4.29Å; L121-L125 HydrophobicContact CG-CD1 4.03Å; L121-L125 WeakPolarHBondContact O-CB 3.16Å; L121-L125 VanDerWaalsContact O-CG 3.29Å; L121-L125 WeakPolarHBondContact O-CG 3.42Å; L121-L125 PolarHBondContact O-N 2.9Å; L121-V138 HydrophobicContact CD1-CG1 4.07Å
122S94.6Very high94.5Very high27 Ų2767.7 Ų67.719%0.18933%0.33CS..Hα-helixtrans-59.1-35.9175.7-1690000112.5R110 E118 E119 Q120R110-S122 PolarHBondContact NH2-OG 3.46Å; E118-S122 WeakPolarHBondContact O-CB 3.31Å; E118-S122 PolarHBondContact O-N 3.25Å; E119-S122 WeakPolarHBondContact O-CB 3.47Å; E119-S122 PolarHBondContact O-N 3.17Å; Q120-S122 VanDerWaalsContact C-N 3.32Å; Q120-S122 PolarHBondContact O-N 2.82Å
123K95.6Very high94.8Very high138 Ų13867.6 Ų67.660%0.633%0.329SS*.Hα-helixtrans-71.6-44.6-179.9-173.6-173.7174.7-165.30111.5E119 Q120 L121 L125 E126E119-K123 PolarHBondContact O-N 2.7Å; E119-K123 VanDerWaalsContact O-N 3.13Å; Q120-K123 WeakPolarHBondContact O-CB 3.2Å; Q120-K123 PolarHBondContact O-N 2.7Å; Q120-K123 VanDerWaalsContact O-N 3.13Å; L121-K123 PolarHBondContact O-N 2.97Å; K123-L125 VanDerWaalsContact C-N 3.28Å; K123-L125 PolarHBondContact O-N 3.06Å; K123-E126 WeakPolarHBondContact O-CB 3.26Å; K123-E126 WeakPolarHBondContact O-CG 3.5Å; K123-E126 PolarHBondContact O-N 3.34Å
124E95.4Very high95.1Very high42 Ų4269.2 Ų69.220%0.19634%0.337CS..Hα-helixtrans-63.7-36.3176.5-60.1-58.8135.500111.7Q120 L121 E126 D127 T137 V138 Y141Q120-E124 PolarHBondContact O-N 3.46Å; Q120-E124 VanDerWaalsContact O-N 3.11Å; L121-E124 PolarHBondContact O-N 3.25Å; E124-E126 PolarHBondContact O-N 3Å; E124-D127 PolarHBondContact O-N 3.02Å; E124-D127 VanDerWaalsContact O-N 3.15Å; E124-T137 HydrophobicContact CG-CG2 3.71Å; E124-V138 HydrophobicContact CB-CG2 4.16Å; E124-Y141 HydrophobicContact CG-CD2 3.88Å; E124-Y141 HydrophobicContact CG-CE2 3.81Å
125L95.9Very high95.4Very high22 Ų2263.7 Ų63.712%0.11531%0.313CS..G310 helixtrans-72.2-5.7177.6-67.3175000114.1F111 L121 K123 D127 L128 I150 A153F111-L125 HydrophobicContact CD1-CD1 3.38Å; F111-L125 HydrophobicContact CE1-CD1 3.58Å; F111-L125 HydrophobicContact CG-CD1 4.09Å; F111-L125 HydrophobicContact CZ-CD1 4.43Å; L121-L125 HydrophobicContact CD1-CD1 4.23Å; L121-L125 HydrophobicContact CD1-CG 4.29Å; L121-L125 HydrophobicContact CG-CD1 4.03Å; L121-L125 WeakPolarHBondContact O-CB 3.16Å; L121-L125 VanDerWaalsContact O-CG 3.29Å; L121-L125 WeakPolarHBondContact O-CG 3.42Å; L121-L125 PolarHBondContact O-N 2.9Å; K123-L125 VanDerWaalsContact C-N 3.28Å; K123-L125 PolarHBondContact O-N 3.06Å; L125-D127 PolarHBondContact O-N 3.41Å; L125-L128 HydrophobicContact CD2-CD1 4.44Å; L125-L128 VanDerWaalsContact O-CB 3.24Å; L125-L128 WeakPolarHBondContact O-CB 3.45Å; L125-L128 PolarHBondContact O-N 3.44Å; L125-I150 HydrophobicContact CD2-CD1 3.84Å; L125-A153 HydrophobicContact CD1-CB 4.44Å; L125-A153 HydrophobicContact CD2-CB 4.23Å
126E96.1Very high95.7Very high144 Ų14464.1 Ų64.167%0.67331%0.314SS*.G310 helixtrans-64.5-24.7167.4-64.9178.1-176.700111.5K123 E124 L128K123-E126 WeakPolarHBondContact O-CB 3.26Å; K123-E126 WeakPolarHBondContact O-CG 3.5Å; K123-E126 PolarHBondContact O-N 3.34Å; E124-E126 PolarHBondContact O-N 3Å; E126-L128 VanDerWaalsContact C-N 3.32Å
127D96.8Very high96Very high57 Ų5757.2 Ų57.231%0.30528%0.278SS..G310 helixtrans-91.812.2176.8-64.9-30.9000112.6E124 L125 N129 K130E124-D127 PolarHBondContact O-N 3.02Å; E124-D127 VanDerWaalsContact O-N 3.15Å; L125-D127 PolarHBondContact O-N 3.41Å; D127-N129 PolarHBondContact O-N 3.31Å; D127-N129 VanDerWaalsContact O-N 3.09Å; D127-K130 HydrophobicContact CB-CB 4.4Å; D127-K130 HydrophobicContact CB-CD 4.28Å; D127-K130 PolarHBondContact O-N 2.97Å; D127-K130 WeakPolarHBondContact OD1-CD 3.34Å; D127-K130 WeakPolarHBondContact OD1-CE 3.44Å; D127-K130 IonicContact OD1-NZ 3.11Å; D127-K130 PolarHBondContact OD1-NZ 3.37Å
128L97.9Very high96.3Very high10 Ų1054 Ų545%0.05226%0.264CS..THydrogen-bonded Turntrans-51.3-37.6179.5-177.869.5000112.8L125 E126 I150 A153 I154 E157 Q199 I203L125-L128 HydrophobicContact CD2-CD1 4.44Å; L125-L128 VanDerWaalsContact O-CB 3.24Å; L125-L128 WeakPolarHBondContact O-CB 3.45Å; L125-L128 PolarHBondContact O-N 3.44Å; E126-L128 VanDerWaalsContact C-N 3.32Å; L128-I150 HydrophobicContact CD1-CD1 4.21Å; L128-A153 HydrophobicContact CD1-CB 4.08Å; L128-A153 HydrophobicContact CD2-CB 3.86Å; L128-I154 HydrophobicContact CD1-CG1 4.06Å; L128-E157 HydrophobicContact CD2-CB 3.97Å; L128-E157 HydrophobicContact CD2-CG 4.29Å; L128-Q199 HydrophobicContact CD1-CG 4.48Å; L128-Q199 PolarHBondContact O-NE2 2.99Å; L128-I203 WeakPolarHBondContact O-CD1 3.26Å
129N97.9Very high96.5Very high77 Ų7751.7 Ų51.741%0.41226%0.256SS..THydrogen-bonded Turntrans-96.520.7-177.9-58.9-15.3000112.5D127 E157 H202 I203D127-N129 PolarHBondContact O-N 3.31Å; D127-N129 VanDerWaalsContact O-N 3.09Å; N129-E157 PolarHBondContact ND2-OE1 3.37Å; N129-H202 PolarHBondContact OD1-NE2 2.98Å; N129-I203 VanDerWaalsContact CA-CD1 3.4Å; N129-I203 WeakPolarHBondContact O-CD1 3.39Å
130K97.7Very high96.6Very high120 Ų12048.9 Ų48.952%0.52224%0.243SC..SBendtrans-119.7146.1176.4-60.1-176.6-1681590111.8D127 Q199 I203D127-K130 HydrophobicContact CB-CB 4.4Å; D127-K130 HydrophobicContact CB-CD 4.28Å; D127-K130 PolarHBondContact O-N 2.97Å; D127-K130 WeakPolarHBondContact OD1-CD 3.34Å; D127-K130 WeakPolarHBondContact OD1-CE 3.44Å; D127-K130 IonicContact OD1-NZ 3.11Å; D127-K130 PolarHBondContact OD1-NZ 3.37Å; K130-Q199 PolarHBondContact O-NE2 2.81Å; K130-I203 VanDerWaalsContact N-CD1 3.32Å
131W98Very high96.7Very high57 Ų5747 Ų4722%0.21623%0.233CC..THydrogen-bonded Turntrans-66.4139167.8-162.6-108.4000109.9I203 L204 T352 K353 W410 I424W131-I203 HydrophobicContact CE3-CB 3.99Å; W131-I203 HydrophobicContact CE3-CG1 4.37Å; W131-I203 HydrophobicContact CE3-CG2 3.87Å; W131-I203 HydrophobicContact CZ3-CB 4.33Å; W131-L204 HydrophobicContact CH2-CD2 4.49Å; W131-L204 HydrophobicContact CZ3-CD2 4.11Å; W131-L204 HydrophobicContact CZ3-CG 4.14Å; W131-T352 VanDerWaalsContact CZ2-OG1 3.26Å; W131-T352 WeakPolarHBondContact CZ2-OG1 3.05Å; W131-T352 PolarHBondContact NE1-O 3.2Å; W131-T352 VanDerWaalsContact NE1-O 3.14Å; W131-T352 PolarHBondContact NE1-OG1 3.48Å; W131-K353 HydrophobicContact CZ2-CD 4.23Å; W131-K353 VanDerWaalsContact CZ2-CE 3.45Å; W131-W410 AromaticContact CH2-CH2 3.58Å; W131-W410 HydrophobicContact CH2-CH2 3.58Å; W131-W410 HydrophobicContact CH2-CZ2 4Å; W131-W410 AromaticContact CZ2-CH2 3.78Å; W131-W410 HydrophobicContact CZ2-CH2 3.78Å; W131-W410 AromaticContact CZ2-CZ2 4Å; W131-W410 HydrophobicContact CZ2-CZ2 4Å; W131-I424 HydrophobicContact CD2-CD1 4.06Å; W131-I424 HydrophobicContact CD2-CG1 4.46Å; W131-I424 HydrophobicContact CE3-CD1 4.37Å; W131-I424 HydrophobicContact CG-CD1 4.44Å; W131-I424 HydrophobicContact CG-CG1 4.41Å; W131-I424 HydrophobicContact CZ2-CD1 4.31Å; W131-I424 HydrophobicContact CZ2-CG2 4.45Å
132G92.6Very high96.8Very high28 Ų2847.1 Ų47.129%0.28923%0.233SC..THydrogen-bonded Turntrans79.723.4-179.800000115N134G132-N134 PolarHBondContact O-N 2.89Å
133L97.5Very high96.8Very high3 Ų350.4 Ų50.42%0.01625%0.249CC..  trans-50.9131.2163.8171.5143000109.4I135 V138 I150 Q199L133-I135 HydrophobicContact CD2-CB 4.19Å; L133-I135 HydrophobicContact CD2-CD1 3.87Å; L133-I135 PolarHBondContact O-N 3.35Å; L133-V138 HydrophobicContact CD2-CG2 4.02Å; L133-I150 HydrophobicContact CD1-CD1 4.42Å; L133-I150 HydrophobicContact CD2-CD1 4.11Å; L133-Q199 HydrophobicContact CD2-CG 4.43Å
134N97.9Very high96.8Very high35 Ų3547.9 Ų47.919%0.18725%0.248CC..  trans-77.988.2-179.2-169.3-26.3000110.9G132 F136 T137 V138 L357G132-N134 PolarHBondContact O-N 2.89Å; N134-F136 PolarHBondContact O-N 3.47Å; N134-F136 WeakPolarHBondContact OD1-CB 3.37Å; N134-F136 PolarHBondContact OD1-N 3.41Å; N134-T137 PolarHBondContact ND2-OG1 2.72Å; N134-T137 PolarHBondContact O-N 2.6Å; N134-T137 PolarHBondContact OD1-N 3.35Å; N134-T137 VanDerWaalsContact OD1-N 3.13Å; N134-T137 PolarHBondContact OD1-OG1 3.41Å; N134-V138 PolarHBondContact O-N 3.08Å; N134-L357 HydrophobicContact CB-CD2 4.24Å
135I98.3Very high96.9Very high1 Ų149.3 Ų49.31%0.00525%0.252CS..Hα-helixtrans-65.4-26.5-177.5-162.166.1000113L133 V138 S139 P146 I150 L192 A195 D196 W361L133-I135 HydrophobicContact CD2-CB 4.19Å; L133-I135 HydrophobicContact CD2-CD1 3.87Å; L133-I135 PolarHBondContact O-N 3.35Å; I135-V138 HydrophobicContact CD1-CB 4.38Å; I135-V138 PolarHBondContact O-N 3.3Å; I135-S139 PolarHBondContact O-N 3.5Å; I135-P146 HydrophobicContact CD1-CB 4.49Å; I135-I150 HydrophobicContact CD1-CD1 3.95Å; I135-I150 HydrophobicContact CD1-CG1 3.45Å; I135-I150 VanDerWaalsContact CD1-CG1 3.45Å; I135-L192 HydrophobicContact CG1-CD1 3.98Å; I135-L192 HydrophobicContact CG2-CD1 4.14Å; I135-L192 HydrophobicContact CG2-CG 4.4Å; I135-L192 WeakPolarHBondContact O-CD1 3.5Å; I135-A195 HydrophobicContact CD1-CB 3.78Å; I135-A195 HydrophobicContact CG1-CB 4.01Å; I135-D196 HydrophobicContact CG1-CB 4.42Å; I135-D196 HydrophobicContact CG2-CB 4.14Å; I135-W361 HydrophobicContact CG2-CZ2 3.79Å
136F98.3Very high97Very high22 Ų2248.3 Ų48.310%0.09625%0.247CC..Hα-helixtrans-64.1-44.6174.7-57.8-80.6000111N134 S139 E140 L192 L357 Q360 W361N134-F136 PolarHBondContact O-N 3.47Å; N134-F136 WeakPolarHBondContact OD1-CB 3.37Å; N134-F136 PolarHBondContact OD1-N 3.41Å; F136-S139 WeakPolarHBondContact O-CB 3.3Å; F136-S139 PolarHBondContact O-N 3.42Å; F136-E140 PolarHBondContact O-N 3.27Å; F136-L192 HydrophobicContact CD1-CD2 3.49Å; F136-L192 VanDerWaalsContact CD1-CD2 3.49Å; F136-L192 HydrophobicContact CE1-CD2 3.45Å; F136-L192 VanDerWaalsContact CE1-CD2 3.45Å; F136-L192 HydrophobicContact CE1-CG 4.48Å; F136-L357 HydrophobicContact CD2-CD2 3.6Å; F136-L357 HydrophobicContact CE2-CB 4.48Å; F136-L357 HydrophobicContact CE2-CD2 3.8Å; F136-Q360 HydrophobicContact CE1-CB 4.1Å; F136-Q360 HydrophobicContact CE2-CB 3.85Å; F136-Q360 HydrophobicContact CZ-CB 3.59Å; F136-W361 HydrophobicContact CE1-CH2 4.37Å; F136-W361 HydrophobicContact CE1-CZ2 4.3Å; F136-W361 HydrophobicContact CE2-CZ2 4.39Å; F136-W361 AromaticContact CZ-CD2 3.71Å; F136-W361 HydrophobicContact CZ-CD2 3.71Å; F136-W361 AromaticContact CZ-CE2 3.51Å; F136-W361 HydrophobicContact CZ-CE3 4.18Å; F136-W361 HydrophobicContact CZ-CG 4.14Å; F136-W361 HydrophobicContact CZ-CH2 4.26Å; F136-W361 AromaticContact CZ-CZ2 3.81Å; F136-W361 HydrophobicContact CZ-CZ2 3.81Å; F136-W361 HydrophobicContact CZ-CZ3 4.44Å; F136-W361 AromaticContact CZ-NE1 3.9Å
137T97.6Very high97.1Very high26 Ų2641.4 Ų41.416%0.1622%0.215CC..Hα-helixtrans-64.8-40.6175.9-54.80000111.4E124 N134 S139 E140 Y141E124-T137 HydrophobicContact CG-CG2 3.71Å; N134-T137 PolarHBondContact ND2-OG1 2.72Å; N134-T137 PolarHBondContact O-N 2.6Å; N134-T137 PolarHBondContact OD1-N 3.35Å; N134-T137 VanDerWaalsContact OD1-N 3.13Å; N134-T137 PolarHBondContact OD1-OG1 3.41Å; T137-S139 VanDerWaalsContact C-N 3.29Å; T137-S139 PolarHBondContact O-N 3.09Å; T137-E140 PolarHBondContact O-N 3.44Å; T137-E140 VanDerWaalsContact O-N 3.17Å; T137-Y141 HydrophobicContact CG2-CD2 3.69Å; T137-Y141 HydrophobicContact CG2-CE1 4.33Å; T137-Y141 HydrophobicContact CG2-CE2 3.17Å; T137-Y141 HydrophobicContact CG2-CG 4.44Å; T137-Y141 PolarHBondContact O-N 2.66Å
138V97.9Very high97.2Very high0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-58.7-42.1173.51730000111.1L121 E124 L133 N134 I135 Y141 S142 C149 I150L121-V138 HydrophobicContact CD1-CG1 4.07Å; E124-V138 HydrophobicContact CB-CG2 4.16Å; L133-V138 HydrophobicContact CD2-CG2 4.02Å; N134-V138 PolarHBondContact O-N 3.08Å; I135-V138 HydrophobicContact CD1-CB 4.38Å; I135-V138 PolarHBondContact O-N 3.3Å; V138-Y141 PolarHBondContact O-N 2.72Å; V138-S142 WeakPolarHBondContact O-CB 3.49Å; V138-S142 PolarHBondContact O-N 3Å; V138-S142 PolarHBondContact O-OG 3.14Å; V138-C149 HydrophobicContact CG1-CB 4.4Å; V138-I150 HydrophobicContact CG1-CD1 4.06Å; V138-I150 HydrophobicContact CG1-CG1 4.11Å; V138-I150 HydrophobicContact CG2-CD1 4.43Å
139S97.4Very high97.2Very high23 Ų2338.2 Ų38.216%0.16120%0.198CC..Hα-helixtrans-60.5-44.7174.6-171.70000112.4I135 F136 T137 Y141 S142 S144I135-S139 PolarHBondContact O-N 3.5Å; F136-S139 WeakPolarHBondContact O-CB 3.3Å; F136-S139 PolarHBondContact O-N 3.42Å; T137-S139 VanDerWaalsContact C-N 3.29Å; T137-S139 PolarHBondContact O-N 3.09Å; S139-Y141 VanDerWaalsContact C-N 3.34Å; S139-Y141 PolarHBondContact O-N 2.74Å; S139-S142 WeakPolarHBondContact CA-OG 3.21Å; S139-S142 PolarHBondContact O-N 3.06Å; S139-S142 PolarHBondContact O-OG 3.07Å; S139-S144 WeakPolarHBondContact O-CA 3.25Å; S139-S144 PolarHBondContact O-N 3.24Å
140E96.6Very high97.3Very high109 Ų10934.6 Ų34.651%0.50918%0.178SC..Hα-helixtrans-62.3-40.5178.3-161.9-156.4133.600112.3K117 F136 T137K117-E140 IonicContact NZ-OE1 3.82Å; K117-E140 PolarHBondContact NZ-OE1 3.25Å; F136-E140 PolarHBondContact O-N 3.27Å; T137-E140 PolarHBondContact O-N 3.44Å; T137-E140 VanDerWaalsContact O-N 3.17Å
141Y96.9Very high97.3Very high47 Ų4728.9 Ų28.918%0.18415%0.153CC..Hα-helixtrans-84.9-17.6-176.7-61.1-18.2000113.8T115 K117 Q120 E124 T137 V138 S139T115-Y141 VanDerWaalsContact CB-O 3.23Å; T115-Y141 WeakPolarHBondContact CB-O 3.34Å; T115-Y141 WeakPolarHBondContact CG2-O 3.39Å; T115-Y141 PolarHBondContact OG1-O 3.21Å; K117-Y141 HydrophobicContact CB-CD1 4.42Å; K117-Y141 HydrophobicContact CB-CG 4.48Å; K117-Y141 HydrophobicContact CD-CD1 3.43Å; K117-Y141 VanDerWaalsContact CD-CD1 3.43Å; K117-Y141 HydrophobicContact CD-CE1 4.01Å; K117-Y141 HydrophobicContact CD-CG 4.26Å; Q120-Y141 HydrophobicContact CB-CD1 4.5Å; Q120-Y141 HydrophobicContact CB-CD2 3.61Å; Q120-Y141 HydrophobicContact CB-CE1 4.39Å; Q120-Y141 HydrophobicContact CB-CE2 3.49Å; Q120-Y141 VanDerWaalsContact CB-CE2 3.49Å; Q120-Y141 HydrophobicContact CB-CG 4.13Å; Q120-Y141 HydrophobicContact CG-CE2 4.45Å; E124-Y141 HydrophobicContact CG-CD2 3.88Å; E124-Y141 HydrophobicContact CG-CE2 3.81Å; T137-Y141 HydrophobicContact CG2-CD2 3.69Å; T137-Y141 HydrophobicContact CG2-CE1 4.33Å; T137-Y141 HydrophobicContact CG2-CE2 3.17Å; T137-Y141 HydrophobicContact CG2-CG 4.44Å; T137-Y141 PolarHBondContact O-N 2.66Å; V138-Y141 PolarHBondContact O-N 2.72Å; S139-Y141 VanDerWaalsContact C-N 3.34Å; S139-Y141 PolarHBondContact O-N 2.74Å
142S95.9Very high97.3Very high1 Ų127 Ų271%0.00715%0.146CC..THydrogen-bonded Turntrans-939.3177.960.50000114.2V138 S139 R145V138-S142 WeakPolarHBondContact O-CB 3.49Å; V138-S142 PolarHBondContact O-N 3Å; V138-S142 PolarHBondContact O-OG 3.14Å; S139-S142 WeakPolarHBondContact CA-OG 3.21Å; S139-S142 PolarHBondContact O-N 3.06Å; S139-S142 PolarHBondContact O-OG 3.07Å; S142-R145 WeakPolarHBondContact O-CB 3.17Å; S142-R145 VanDerWaalsContact OG-C 3.22Å; S142-R145 PolarHBondContact OG-N 3.29Å; S142-R145 PolarHBondContact OG-O 2.98Å
143N94.4Very high97.6Very high97 Ų9726.1 Ų26.152%0.51914%0.136SC..THydrogen-bonded Turntrans59.747.4-171.5-67.3-38000112.7K114 R145K114-N143 PolarHBondContact O-ND2 3.39Å; N143-R145 VanDerWaalsContact C-N 3.28Å; N143-R145 PolarHBondContact O-N 3.19Å
144S95.6Very high97.7Very high85 Ų8526 Ų2659%0.59414%0.136SC*.SBendtrans58.240.4-177.5-540000112.5S139S139-S144 WeakPolarHBondContact O-CA 3.25Å; S139-S144 PolarHBondContact O-N 3.24Å
145R97.6Very high97.7Very high71 Ų7124.3 Ų24.327%0.26813%0.127SC..  trans-124.550.2173.6-62.3-67.6-176.3166.2-3.5112.1V113 S142 N143 L147 C149 E179 D180V113-R145 HydrophobicContact CG1-CB 3.73Å; S142-R145 WeakPolarHBondContact O-CB 3.17Å; S142-R145 VanDerWaalsContact OG-C 3.22Å; S142-R145 PolarHBondContact OG-N 3.29Å; S142-R145 PolarHBondContact OG-O 2.98Å; N143-R145 VanDerWaalsContact C-N 3.28Å; N143-R145 PolarHBondContact O-N 3.19Å; R145-L147 VanDerWaalsContact C-N 3.32Å; R145-L147 PolarHBondContact O-N 3.36Å; R145-C149 VanDerWaalsContact O-CB 3.31Å; R145-C149 WeakPolarHBondContact O-CB 3.11Å; R145-C149 PolarHBondContact O-N 2.92Å; R145-C149 VanDerWaalsContact O-N 3.13Å; R145-E179 VanDerWaalsContact CA-OE1 3.28Å; R145-E179 WeakPolarHBondContact CA-OE1 3.31Å; R145-E179 WeakPolarHBondContact CA-OE2 3.32Å; R145-E179 WeakPolarHBondContact CD-OE2 3.39Å; R145-D180 IonicContact CZ-OD1 3.59Å; R145-D180 IonicContact NH1-OD1 2.78Å; R145-D180 PolarHBondContact NH1-OD1 3.35Å; R145-D180 IonicContact NH2-OD1 2.66Å; R145-D180 PolarHBondContact NH2-OD1 3.41Å
146P98.3Very high97.6Very high1 Ų128.7 Ų28.71%0.00615%0.147CC..Hα-helixtrans-60.7-40-176.226.6-35.5000112.2I135 C149 I150 E179 L192 A195I135-P146 HydrophobicContact CD1-CB 4.49Å; P146-C149 PolarHBondContact O-N 3.15Å; P146-I150 WeakPolarHBondContact O-CB 3.32Å; P146-I150 WeakPolarHBondContact O-CG1 3.27Å; P146-I150 PolarHBondContact O-N 2.98Å; P146-E179 WeakPolarHBondContact CD-OE1 3.42Å; P146-L192 HydrophobicContact CB-CD1 3.99Å; P146-L192 HydrophobicContact CG-CB 4.38Å; P146-L192 HydrophobicContact CG-CD1 3.82Å; P146-A195 HydrophobicContact CB-CB 3.94Å; P146-A195 HydrophobicContact CG-CB 4.44Å
147L98.8Very high97.6Very high0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-67.8-47.8-175.4-179.461.2000111.2R145 C149 M151 M175 L178 E179 Y182 A194 A195 A227R145-L147 VanDerWaalsContact C-N 3.32Å; R145-L147 PolarHBondContact O-N 3.36Å; L147-C149 VanDerWaalsContact C-N 3.3Å; L147-C149 PolarHBondContact O-N 3.21Å; L147-M151 HydrophobicContact CD1-CG 3.78Å; L147-M151 HydrophobicContact CG-CG 4.39Å; L147-M151 WeakPolarHBondContact O-CB 3.15Å; L147-M151 WeakPolarHBondContact O-CG 3.49Å; L147-M151 PolarHBondContact O-N 2.82Å; L147-M175 HydrophobicContact CD1-CE 4.28Å; L147-M175 HydrophobicContact CD2-CE 4.2Å; L147-M175 HydrophobicContact CG-CE 3.74Å; L147-L178 HydrophobicContact CD2-CD2 4.06Å; L147-L178 HydrophobicContact CD2-CG 4.3Å; L147-E179 HydrophobicContact CB-CG 4.33Å; L147-E179 WeakPolarHBondContact CB-OE1 3.28Å; L147-E179 HydrophobicContact CD2-CB 4.45Å; L147-E179 PolarHBondContact N-OE1 3.08Å; L147-Y182 HydrophobicContact CD2-CD2 4.02Å; L147-Y182 HydrophobicContact CD2-CE2 3.69Å; L147-A194 HydrophobicContact CD1-CB 4.13Å; L147-A194 HydrophobicContact CD2-CB 4.14Å; L147-A195 HydrophobicContact CB-CB 4.16Å; L147-A195 HydrophobicContact CD1-CB 4.29Å; L147-A227 HydrophobicContact CD1-CB 4.12Å
148T98.6Very high97.6Very high0 Ų034.2 Ų34.20%017%0.169CC..Hα-helixtrans-60-43.5176.5-59.80000111.1V113 Y152 M175 M176 E179V113-T148 HydrophobicContact CG1-CG2 3.77Å; T148-Y152 VanDerWaalsContact O-CB 3.28Å; T148-Y152 WeakPolarHBondContact O-CB 3.38Å; T148-Y152 PolarHBondContact O-N 2.95Å; T148-M175 HydrophobicContact CG2-CB 3.95Å; T148-M175 PolarHBondContact OG1-O 2.89Å; T148-M176 HydrophobicContact CG2-CG 4.25Å; T148-E179 WeakPolarHBondContact CB-OE2 3.45Å; T148-E179 PolarHBondContact N-OE2 2.83Å; T148-E179 PolarHBondContact OG1-OE2 3.35Å
149C98.3Very high97.7Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-64.3-52.9-178.7-1770000112.3V113 V138 R145 P146 L147 Y152 A153V113-C149 HydrophobicContact CG1-CB 4.24Å; V113-C149 HydrophobicContact CG2-CB 4.21Å; V138-C149 HydrophobicContact CG1-CB 4.4Å; R145-C149 VanDerWaalsContact O-CB 3.31Å; R145-C149 WeakPolarHBondContact O-CB 3.11Å; R145-C149 PolarHBondContact O-N 2.92Å; R145-C149 VanDerWaalsContact O-N 3.13Å; P146-C149 PolarHBondContact O-N 3.15Å; L147-C149 VanDerWaalsContact C-N 3.3Å; L147-C149 PolarHBondContact O-N 3.21Å; C149-Y152 PolarHBondContact O-N 3.06Å; C149-A153 WeakPolarHBondContact O-CB 3.38Å; C149-A153 PolarHBondContact O-N 2.92Å
150I98.6Very high97.7Very high0 Ų036.1 Ų36.10%018%0.178CC..Hα-helixtrans-62.6-46.1-179.9-74.4-57.3000111L125 L128 L133 I135 V138 P146 Y152 A153 I154 A195 Q199L125-I150 HydrophobicContact CD2-CD1 3.84Å; L128-I150 HydrophobicContact CD1-CD1 4.21Å; L133-I150 HydrophobicContact CD1-CD1 4.42Å; L133-I150 HydrophobicContact CD2-CD1 4.11Å; I135-I150 HydrophobicContact CD1-CD1 3.95Å; I135-I150 HydrophobicContact CD1-CG1 3.45Å; I135-I150 VanDerWaalsContact CD1-CG1 3.45Å; V138-I150 HydrophobicContact CG1-CD1 4.06Å; V138-I150 HydrophobicContact CG1-CG1 4.11Å; V138-I150 HydrophobicContact CG2-CD1 4.43Å; P146-I150 WeakPolarHBondContact O-CB 3.32Å; P146-I150 WeakPolarHBondContact O-CG1 3.27Å; P146-I150 PolarHBondContact O-N 2.98Å; I150-Y152 VanDerWaalsContact C-N 3.31Å; I150-Y152 PolarHBondContact O-N 3.42Å; I150-A153 PolarHBondContact O-N 3.15Å; I150-A153 VanDerWaalsContact O-N 3.17Å; I150-I154 HydrophobicContact CG2-CD1 3.47Å; I150-I154 VanDerWaalsContact CG2-CD1 3.47Å; I150-I154 HydrophobicContact CG2-CG1 4.19Å; I150-I154 WeakPolarHBondContact O-CB 3.38Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.47Å; I150-I154 PolarHBondContact O-N 3.18Å; I150-A195 HydrophobicContact CG1-CB 4.46Å; I150-Q199 HydrophobicContact CG2-CB 3.91Å; I150-Q199 HydrophobicContact CG2-CG 4.5Å
151M98.8Very high97.8Very high1 Ų131.9 Ų31.91%0.00516%0.159CC..Hα-helixtrans-63.2-39.8180-74.4-71.9-71.500111.6L147 F155 F171 M175 A198 I223 A227L147-M151 HydrophobicContact CD1-CG 3.78Å; L147-M151 HydrophobicContact CG-CG 4.39Å; L147-M151 WeakPolarHBondContact O-CB 3.15Å; L147-M151 WeakPolarHBondContact O-CG 3.49Å; L147-M151 PolarHBondContact O-N 2.82Å; M151-F155 HydrophobicContact CE-CD2 4.3Å; M151-F155 HydrophobicContact CE-CE2 3.53Å; M151-F155 HydrophobicContact CE-CZ 4.23Å; M151-F155 VanDerWaalsContact O-CB 3.31Å; M151-F155 WeakPolarHBondContact O-CB 3.45Å; M151-F155 WeakPolarHBondContact O-CD2 3.23Å; M151-F155 PolarHBondContact O-N 3.43Å; M151-F155 HydrophobicContact SD-CE2 4.38Å; M151-F171 HydrophobicContact CB-CE1 4.47Å; M151-F171 HydrophobicContact CB-CZ 3.96Å; M151-M175 HydrophobicContact CB-CE 3.65Å; M151-M175 HydrophobicContact CB-CG 4.38Å; M151-M175 HydrophobicContact CB-SD 4.09Å; M151-M175 HydrophobicContact CE-CE 4.25Å; M151-M175 HydrophobicContact CE-SD 4.04Å; M151-M175 HydrophobicContact CG-CE 3.52Å; M151-M175 HydrophobicContact CG-SD 4.33Å; M151-A198 HydrophobicContact SD-CB 3.93Å; M151-I223 HydrophobicContact CE-CG2 3.85Å; M151-I223 HydrophobicContact SD-CG2 3.55Å; M151-I223 VanDerWaalsContact SD-CG2 3.55Å; M151-A227 HydrophobicContact CE-CB 3.52Å; M151-A227 HydrophobicContact CG-CB 4.28Å; M151-A227 HydrophobicContact SD-CB 3.78Å
152Y98.3Very high97.8Very high16 Ų1636.9 Ų36.96%0.06318%0.181CC..Hα-helixtrans-63.4-43.7174.5-168-101.3000111.8I108 R110 T148 C149 I150 F155 Q156 L161 A168 F171 V172I108-Y152 HydrophobicContact CG2-CE2 4.41Å; R110-Y152 WeakPolarHBondContact O-CE1 3.18Å; T148-Y152 VanDerWaalsContact O-CB 3.28Å; T148-Y152 WeakPolarHBondContact O-CB 3.38Å; T148-Y152 PolarHBondContact O-N 2.95Å; C149-Y152 PolarHBondContact O-N 3.06Å; I150-Y152 VanDerWaalsContact C-N 3.31Å; I150-Y152 PolarHBondContact O-N 3.42Å; Y152-F155 PolarHBondContact O-N 3.11Å; Y152-Q156 HydrophobicContact CD1-CG 4.37Å; Y152-Q156 HydrophobicContact CE1-CG 4.15Å; Y152-Q156 WeakPolarHBondContact O-CG 3.23Å; Y152-Q156 PolarHBondContact O-N 2.86Å; Y152-Q156 PolarHBondContact OH-NE2 3.21Å; Y152-L161 HydrophobicContact CE2-CD1 4.2Å; Y152-A168 HydrophobicContact CE2-CB 4.33Å; Y152-F171 AromaticContact CD2-CD1 3.71Å; Y152-F171 HydrophobicContact CD2-CD1 3.71Å; Y152-F171 AromaticContact CD2-CE1 3.83Å; Y152-F171 HydrophobicContact CD2-CE1 3.83Å; Y152-F171 HydrophobicContact CE2-CD1 4.46Å; Y152-F171 HydrophobicContact CG-CE1 4.41Å; Y152-V172 HydrophobicContact CD2-CG2 4.07Å; Y152-V172 HydrophobicContact CE2-CG2 4.11Å
153A98.4Very high97.9Very high10 Ų1039.7 Ų39.78%0.08320%0.199CC..Hα-helixtrans-62.3-47.4176.900000111.9L125 L128 C149 I150 F155 Q156 E157L125-A153 HydrophobicContact CD1-CB 4.44Å; L125-A153 HydrophobicContact CD2-CB 4.23Å; L128-A153 HydrophobicContact CD1-CB 4.08Å; L128-A153 HydrophobicContact CD2-CB 3.86Å; C149-A153 WeakPolarHBondContact O-CB 3.38Å; C149-A153 PolarHBondContact O-N 2.92Å; I150-A153 PolarHBondContact O-N 3.15Å; I150-A153 VanDerWaalsContact O-N 3.17Å; A153-F155 PolarHBondContact O-N 2.94Å; A153-Q156 PolarHBondContact O-N 2.86Å; A153-E157 WeakPolarHBondContact O-CB 3.2Å; A153-E157 PolarHBondContact O-N 3Å
154I98.7Very high98.1Very high0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans-59-45.3176.8-70.5168.7000111.3L128 I150 Q156 E157 R158 H202 I223L128-I154 HydrophobicContact CD1-CG1 4.06Å; I150-I154 HydrophobicContact CG2-CD1 3.47Å; I150-I154 VanDerWaalsContact CG2-CD1 3.47Å; I150-I154 HydrophobicContact CG2-CG1 4.19Å; I150-I154 WeakPolarHBondContact O-CB 3.38Å; I150-I154 VanDerWaalsContact O-CG1 3.3Å; I150-I154 WeakPolarHBondContact O-CG1 3.47Å; I150-I154 PolarHBondContact O-N 3.18Å; I154-Q156 VanDerWaalsContact C-N 3.28Å; I154-Q156 PolarHBondContact O-N 3.03Å; I154-E157 PolarHBondContact O-N 3.48Å; I154-R158 WeakPolarHBondContact O-CB 3.17Å; I154-R158 PolarHBondContact O-N 3.27Å; I154-H202 HydrophobicContact CD1-CB 3.76Å; I154-H202 HydrophobicContact CG1-CB 4.04Å; I154-H202 HydrophobicContact CG2-CB 4.28Å; I154-H202 WeakPolarHBondContact CG2-ND1 3.35Å; I154-I223 HydrophobicContact CG2-CD1 3.68Å; I154-I223 HydrophobicContact CG2-CG1 4.36Å; I154-I223 HydrophobicContact CG2-CG2 3.99Å
155F98.5Very high98.3Very high0 Ų039.1 Ų39.10%018%0.181CC..Hα-helixtrans-68.9-27.5-178.6-90.3-117.4000112.8M151 Y152 A153 D159 L160 L161 I166 F171 L220 I223M151-F155 HydrophobicContact CE-CD2 4.3Å; M151-F155 HydrophobicContact CE-CE2 3.53Å; M151-F155 HydrophobicContact CE-CZ 4.23Å; M151-F155 VanDerWaalsContact O-CB 3.31Å; M151-F155 WeakPolarHBondContact O-CB 3.45Å; M151-F155 WeakPolarHBondContact O-CD2 3.23Å; M151-F155 PolarHBondContact O-N 3.43Å; M151-F155 HydrophobicContact SD-CE2 4.38Å; Y152-F155 PolarHBondContact O-N 3.11Å; A153-F155 PolarHBondContact O-N 2.94Å; F155-D159 CarbonylContact O-C 3.59Å; F155-D159 PolarHBondContact O-N 3.4Å; F155-L160 HydrophobicContact CB-CB 4.48Å; F155-L160 HydrophobicContact CD1-CB 3.71Å; F155-L160 HydrophobicContact CD1-CD1 4.28Å; F155-L160 HydrophobicContact CD2-CD1 4.15Å; F155-L160 HydrophobicContact CE1-CB 4.15Å; F155-L160 HydrophobicContact CE1-CD1 4.35Å; F155-L160 HydrophobicContact CE2-CD1 4.21Å; F155-L160 HydrophobicContact CG-CB 4.14Å; F155-L160 HydrophobicContact CG-CD1 4.19Å; F155-L160 HydrophobicContact CZ-CD1 4.33Å; F155-L160 PolarHBondContact O-N 2.97Å; F155-L161 HydrophobicContact CB-CD2 4.19Å; F155-L161 HydrophobicContact CB-CG 4.02Å; F155-L161 HydrophobicContact CD1-CD2 3.83Å; F155-L161 HydrophobicContact CD1-CG 4.35Å; F155-L161 HydrophobicContact CG-CD2 4.46Å; F155-I166 HydrophobicContact CD1-CD1 4.38Å; F155-I166 HydrophobicContact CE1-CD1 3.95Å; F155-F171 HydrophobicContact CB-CE2 4.3Å; F155-F171 HydrophobicContact CB-CZ 4.09Å; F155-F171 AromaticContact CD1-CD2 3.91Å; F155-F171 HydrophobicContact CD1-CD2 3.91Å; F155-F171 AromaticContact CD1-CE2 3.36Å; F155-F171 HydrophobicContact CD1-CE2 3.36Å; F155-F171 AromaticContact CD1-CZ 3.99Å; F155-F171 HydrophobicContact CD1-CZ 3.99Å; F155-F171 AromaticContact CD2-CE2 3.81Å; F155-F171 HydrophobicContact CD2-CE2 3.81Å; F155-F171 AromaticContact CD2-CZ 3.77Å; F155-F171 HydrophobicContact CD2-CZ 3.77Å; F155-F171 HydrophobicContact CE1-CD2 4.02Å; F155-F171 AromaticContact CE1-CE2 3.43Å; F155-F171 HydrophobicContact CE1-CE2 3.43Å; F155-F171 VanDerWaalsContact CE1-CE2 3.43Å; F155-F171 HydrophobicContact CE1-CZ 4.34Å; F155-F171 AromaticContact CE2-CE2 3.88Å; F155-F171 HydrophobicContact CE2-CE2 3.88Å; F155-F171 HydrophobicContact CE2-CZ 4.14Å; F155-F171 HydrophobicContact CG-CD2 4.42Å; F155-F171 AromaticContact CG-CE2 3.55Å; F155-F171 HydrophobicContact CG-CE2 3.55Å; F155-F171 AromaticContact CG-CZ 3.67Å; F155-F171 HydrophobicContact CG-CZ 3.67Å; F155-F171 AromaticContact CZ-CE2 3.68Å; F155-F171 HydrophobicContact CZ-CE2 3.68Å; F155-F171 HydrophobicContact CZ-CZ 4.4Å; F155-L220 HydrophobicContact CE1-CD1 3.57Å; F155-L220 HydrophobicContact CZ-CD1 3.48Å; F155-L220 VanDerWaalsContact CZ-CD1 3.48Å; F155-I223 HydrophobicContact CD2-CG2 4.5Å; F155-I223 HydrophobicContact CE2-CG2 3.85Å
156Q97Very high98.3Very high93 Ų9336.1 Ų36.144%0.43517%0.17SC..Hα-helixtrans-75.2-46.8170.8-73.5-169.9-37.700111.8Y152 A153 I154 R158 D159 L161Y152-Q156 HydrophobicContact CD1-CG 4.37Å; Y152-Q156 HydrophobicContact CE1-CG 4.15Å; Y152-Q156 WeakPolarHBondContact O-CG 3.23Å; Y152-Q156 PolarHBondContact O-N 2.86Å; Y152-Q156 PolarHBondContact OH-NE2 3.21Å; A153-Q156 PolarHBondContact O-N 2.86Å; I154-Q156 VanDerWaalsContact C-N 3.28Å; I154-Q156 PolarHBondContact O-N 3.03Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 PolarHBondContact O-N 3.25Å; Q156-D159 PolarHBondContact O-N 2.97Å; Q156-D159 VanDerWaalsContact O-N 3.14Å; Q156-L161 HydrophobicContact CG-CD1 4.3Å
157E97.9Very high98.2Very high111 Ų11138 Ų3852%0.51918%0.182SC..Hα-helixtrans-59.1-43.8-179.6-177.763.7-169.800111.8L128 N129 A153 I154 D159L128-E157 HydrophobicContact CD2-CB 3.97Å; L128-E157 HydrophobicContact CD2-CG 4.29Å; N129-E157 PolarHBondContact ND2-OE1 3.37Å; A153-E157 WeakPolarHBondContact O-CB 3.2Å; A153-E157 PolarHBondContact O-N 3Å; I154-E157 PolarHBondContact O-N 3.48Å; E157-D159 VanDerWaalsContact C-N 3.32Å; E157-D159 PolarHBondContact O-N 3.43Å
158R98Very high98.1Very high53 Ų5339.2 Ų39.220%0.219%0.192CC..THydrogen-bonded Turntrans-87.64.8178.9-65.5-174.2172.1-73.4-5.2114.3I154 Q156 L160 H202 S206I154-R158 WeakPolarHBondContact O-CB 3.17Å; I154-R158 PolarHBondContact O-N 3.27Å; Q156-R158 VanDerWaalsContact C-N 3.34Å; Q156-R158 PolarHBondContact O-N 3.25Å; R158-L160 HydrophobicContact CB-CD1 4.09Å; R158-L160 HydrophobicContact CB-CD2 4.35Å; R158-L160 HydrophobicContact CB-CG 3.76Å; R158-L160 PolarHBondContact O-N 3.34Å; R158-H202 PolarHBondContact NE-CE1 2.91Å; R158-H202 PolarHBondContact NE-ND1 3.5Å; R158-H202 PolarHBondContact NH2-O 3.28Å; R158-S206 PolarHBondContact NH2-OG 3Å
159D98.1Very high98Very high62 Ų6242.9 Ų42.933%0.33221%0.212SC..THydrogen-bonded Turntrans5322.9-175.9-150.524.4000116F155 Q156 E157 L161 K162 T163F155-D159 CarbonylContact O-C 3.59Å; F155-D159 PolarHBondContact O-N 3.4Å; Q156-D159 PolarHBondContact O-N 2.97Å; Q156-D159 VanDerWaalsContact O-N 3.14Å; E157-D159 VanDerWaalsContact C-N 3.32Å; E157-D159 PolarHBondContact O-N 3.43Å; D159-L161 VanDerWaalsContact C-N 3.29Å; D159-L161 PolarHBondContact O-N 3.21Å; D159-K162 PolarHBondContact O-N 3.42Å; D159-K162 VanDerWaalsContact O-N 3.09Å; D159-K162 WeakPolarHBondContact OD1-CB 3.29Å; D159-K162 WeakPolarHBondContact OD1-CD 3.36Å; D159-K162 WeakPolarHBondContact OD1-CE 3.39Å; D159-K162 WeakPolarHBondContact OD1-CG 3.27Å; D159-K162 IonicContact OD1-NZ 3.46Å; D159-K162 PolarHBondContact OD1-NZ 3.44Å; D159-K162 IonicContact OD2-NZ 2.81Å; D159-K162 PolarHBondContact OD2-NZ 3.32Å; D159-T163 PolarHBondContact O-N 3Å; D159-T163 PolarHBondContact O-OG1 2.78Å
160L98.5Very high97.9Very high1 Ų143 Ų431%0.00521%0.212CC..Hα-helixtrans-63.3-33-174.4-63.2174000112.5F155 R158 K162 F164 I219 I223F155-L160 HydrophobicContact CB-CB 4.48Å; F155-L160 HydrophobicContact CD1-CB 3.71Å; F155-L160 HydrophobicContact CD1-CD1 4.28Å; F155-L160 HydrophobicContact CD2-CD1 4.15Å; F155-L160 HydrophobicContact CE1-CB 4.15Å; F155-L160 HydrophobicContact CE1-CD1 4.35Å; F155-L160 HydrophobicContact CE2-CD1 4.21Å; F155-L160 HydrophobicContact CG-CB 4.14Å; F155-L160 HydrophobicContact CG-CD1 4.19Å; F155-L160 HydrophobicContact CZ-CD1 4.33Å; F155-L160 PolarHBondContact O-N 2.97Å; R158-L160 HydrophobicContact CB-CD1 4.09Å; R158-L160 HydrophobicContact CB-CD2 4.35Å; R158-L160 HydrophobicContact CB-CG 3.76Å; R158-L160 PolarHBondContact O-N 3.34Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.83Å; L160-F164 HydrophobicContact CB-CD2 4.41Å; L160-F164 HydrophobicContact CD2-CD2 4.27Å; L160-F164 HydrophobicContact CD2-CE2 3.87Å; L160-F164 WeakPolarHBondContact O-CD2 3.42Å; L160-F164 PolarHBondContact O-N 3.48Å; L160-I219 HydrophobicContact CD2-CG2 4.29Å; L160-I223 HydrophobicContact CD1-CD1 4.09Å
161L97.9Very high97.9Very high21 Ų2143 Ų4311%0.1121%0.212CC..Hα-helixtrans-60.1-41.6175.5-62.5177.3000111.4Y152 F155 Q156 D159 K165 I166 F171Y152-L161 HydrophobicContact CE2-CD1 4.2Å; F155-L161 HydrophobicContact CB-CD2 4.19Å; F155-L161 HydrophobicContact CB-CG 4.02Å; F155-L161 HydrophobicContact CD1-CD2 3.83Å; F155-L161 HydrophobicContact CD1-CG 4.35Å; F155-L161 HydrophobicContact CG-CD2 4.46Å; Q156-L161 HydrophobicContact CG-CD1 4.3Å; D159-L161 VanDerWaalsContact C-N 3.29Å; D159-L161 PolarHBondContact O-N 3.21Å; L161-K165 CarbonylContact O-C 3.36Å; L161-K165 VanDerWaalsContact O-CA 3.3Å; L161-K165 WeakPolarHBondContact O-CA 3.49Å; L161-K165 PolarHBondContact O-N 2.92Å; L161-K165 VanDerWaalsContact O-N 3.08Å; L161-I166 HydrophobicContact CD2-CB 3.92Å; L161-I166 HydrophobicContact CD2-CG2 4.17Å; L161-I166 PolarHBondContact O-N 2.97Å; L161-F171 HydrophobicContact CD2-CB 3.97Å; L161-F171 HydrophobicContact CD2-CD1 4.48Å; L161-F171 HydrophobicContact CD2-CD2 3.85Å; L161-F171 HydrophobicContact CD2-CE2 4.47Å; L161-F171 HydrophobicContact CD2-CG 3.83Å
162K98.1Very high97.8Very high151 Ų15143.4 Ų43.466%0.65722%0.215SC*.Hα-helixtrans-76.5-47179.4-62.2-165.6-155.71030111D159 L160 F164 K165D159-K162 PolarHBondContact O-N 3.42Å; D159-K162 VanDerWaalsContact O-N 3.09Å; D159-K162 WeakPolarHBondContact OD1-CB 3.29Å; D159-K162 WeakPolarHBondContact OD1-CD 3.36Å; D159-K162 WeakPolarHBondContact OD1-CE 3.39Å; D159-K162 WeakPolarHBondContact OD1-CG 3.27Å; D159-K162 IonicContact OD1-NZ 3.46Å; D159-K162 PolarHBondContact OD1-NZ 3.44Å; D159-K162 IonicContact OD2-NZ 2.81Å; D159-K162 PolarHBondContact OD2-NZ 3.32Å; L160-K162 VanDerWaalsContact C-N 3.31Å; L160-K162 PolarHBondContact O-N 2.83Å; K162-F164 VanDerWaalsContact C-N 3.31Å; K162-F164 PolarHBondContact O-N 3.28Å; K162-K165 PolarHBondContact O-N 2.87Å; K162-K165 VanDerWaalsContact O-N 3.13Å
163T98.4Very high97.7Very high61 Ų6143 Ų4337%0.37421%0.214SC..Hα-helixtrans-54.5-46.7-179.3-61.80000111.8D159 D216D159-T163 PolarHBondContact O-N 3Å; D159-T163 PolarHBondContact O-OG1 2.78Å; T163-D216 HydrophobicContact CG2-CB 4.06Å
164F98.4Very high97.7Very high16 Ų1642.5 Ų42.57%0.0721%0.21CC..THydrogen-bonded Turntrans-97.77-179-63.3-66000114.4L160 K162 I166 D216 L217 L220 L281L160-F164 HydrophobicContact CB-CD2 4.41Å; L160-F164 HydrophobicContact CD2-CD2 4.27Å; L160-F164 HydrophobicContact CD2-CE2 3.87Å; L160-F164 WeakPolarHBondContact O-CD2 3.42Å; L160-F164 PolarHBondContact O-N 3.48Å; K162-F164 VanDerWaalsContact C-N 3.31Å; K162-F164 PolarHBondContact O-N 3.28Å; F164-I166 VanDerWaalsContact C-N 3.26Å; F164-I166 HydrophobicContact CB-CD1 4.03Å; F164-I166 HydrophobicContact CB-CG1 3.82Å; F164-I166 PolarHBondContact O-N 3.2Å; F164-D216 HydrophobicContact CE2-CB 3.95Å; F164-D216 WeakPolarHBondContact CE2-O 3.37Å; F164-D216 VanDerWaalsContact CZ-C 3.47Å; F164-D216 HydrophobicContact CZ-CB 3.64Å; F164-D216 WeakPolarHBondContact CZ-O 3.38Å; F164-L217 HydrophobicContact CE1-CD1 3.98Å; F164-L217 HydrophobicContact CZ-CB 4.35Å; F164-L217 HydrophobicContact CZ-CD1 4.28Å; F164-L220 HydrophobicContact CD1-CD2 4.26Å; F164-L220 HydrophobicContact CD2-CB 4.36Å; F164-L220 HydrophobicContact CD2-CD2 3.63Å; F164-L220 HydrophobicContact CD2-CG 4.39Å; F164-L220 HydrophobicContact CE1-CD2 4.31Å; F164-L220 HydrophobicContact CE2-CB 3.76Å; F164-L220 HydrophobicContact CE2-CD2 3.71Å; F164-L220 HydrophobicContact CE2-CG 4.25Å; F164-L220 HydrophobicContact CG-CD2 3.9Å; F164-L220 HydrophobicContact CZ-CB 4.24Å; F164-L220 HydrophobicContact CZ-CD2 4.04Å; F164-L281 HydrophobicContact CB-CD2 4.07Å; F164-L281 HydrophobicContact CD1-CD2 3.27Å; F164-L281 HydrophobicContact CE1-CD2 4Å; F164-L281 HydrophobicContact CG-CD2 3.99Å
165K98.3Very high97.7Very high153 Ų15342.5 Ų42.567%0.66521%0.21SC*.THydrogen-bonded Turntrans53.443.1178.5-55.6174.2-177.8173.20112L161 K162 P167 N280L161-K165 CarbonylContact O-C 3.36Å; L161-K165 VanDerWaalsContact O-CA 3.3Å; L161-K165 WeakPolarHBondContact O-CA 3.49Å; L161-K165 PolarHBondContact O-N 2.92Å; L161-K165 VanDerWaalsContact O-N 3.08Å; K162-K165 PolarHBondContact O-N 2.87Å; K162-K165 VanDerWaalsContact O-N 3.13Å; K165-P167 WeakPolarHBondContact O-CD 3.23Å; K165-N280 HydrophobicContact CB-CB 4.13Å; K165-N280 PolarHBondContact O-ND2 3.48Å
166I98.1Very high97.6Very high8 Ų844.6 Ų44.64%0.04122%0.221CC..  trans-84115.8179.9-48.6-178.9000107.8F155 L161 F164 A168 F171 I277F155-I166 HydrophobicContact CD1-CD1 4.38Å; F155-I166 HydrophobicContact CE1-CD1 3.95Å; L161-I166 HydrophobicContact CD2-CB 3.92Å; L161-I166 HydrophobicContact CD2-CG2 4.17Å; L161-I166 PolarHBondContact O-N 2.97Å; F164-I166 VanDerWaalsContact C-N 3.26Å; F164-I166 HydrophobicContact CB-CD1 4.03Å; F164-I166 HydrophobicContact CB-CG1 3.82Å; F164-I166 PolarHBondContact O-N 3.2Å; I166-A168 PolarHBondContact O-N 3.41Å; I166-F171 HydrophobicContact CG2-CB 3.99Å; I166-F171 HydrophobicContact CG2-CD2 4.42Å; I166-I277 WeakPolarHBondContact CG1-O 3.41Å; I166-I277 HydrophobicContact CG2-CB 3.89Å; I166-I277 HydrophobicContact CG2-CG2 4.07Å
167P97.2Very high97.7Very high42 Ų4240.5 Ų40.527%0.27320%0.202SC..  trans-61132173.3-20.934.6000109.8K165 D169 T170 F171K165-P167 WeakPolarHBondContact O-CD 3.23Å; P167-D169 WeakPolarHBondContact CB-OD1 3.38Å; P167-D169 PolarHBondContact O-N 2.86Å; P167-T170 WeakPolarHBondContact O-CB 3.15Å; P167-T170 PolarHBondContact O-N 3.44Å; P167-T170 VanDerWaalsContact O-N 3.07Å; P167-F171 PolarHBondContact O-N 3.41Å
168A95.9Very high97.7Very high24 Ų2435.2 Ų35.220%0.19818%0.178CC..Hα-helixtrans-64.2-27.8-174.500000112.5I108 Y152 I166 F171 V172I108-A168 HydrophobicContact CD1-CB 3.37Å; Y152-A168 HydrophobicContact CE2-CB 4.33Å; I166-A168 PolarHBondContact O-N 3.41Å; A168-F171 PolarHBondContact O-N 2.62Å; A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.06Å; A168-V172 PolarHBondContact O-N 3.13Å
169D95.7Very high97.7Very high78 Ų7833 Ų3342%0.41717%0.17SC..Hα-helixtrans-69.2-41.5172.565.1-54.1000112.2I108 P167 F171 A173 N274I108-D169 HydrophobicContact CD1-CB 4.27Å; P167-D169 WeakPolarHBondContact CB-OD1 3.38Å; P167-D169 PolarHBondContact O-N 2.86Å; D169-F171 VanDerWaalsContact C-N 3.33Å; D169-A173 VanDerWaalsContact O-CB 3.25Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.26Å; D169-N274 PolarHBondContact OD2-ND2 3.13Å
170T96.9Very high97.7Very high2 Ų232.5 Ų32.51%0.01217%0.167CC..Hα-helixtrans-62.9-41.2173.2-53.90000110.9P167 A173 Y174 N274 I277P167-T170 WeakPolarHBondContact O-CB 3.15Å; P167-T170 PolarHBondContact O-N 3.44Å; P167-T170 VanDerWaalsContact O-N 3.07Å; T170-A173 PolarHBondContact O-N 3.04Å; T170-Y174 PolarHBondContact O-N 2.94Å; T170-N274 VanDerWaalsContact CA-O 3.32Å; T170-N274 WeakPolarHBondContact CA-O 3.36Å; T170-N274 WeakPolarHBondContact CG2-O 3.11Å; T170-N274 PolarHBondContact OG1-OD1 2.93Å; T170-I277 HydrophobicContact CG2-CG2 4.24Å
171F98.3Very high97.7Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-62.7-51.7177.3-177.7-91.2000112.1M151 Y152 F155 L161 I166 P167 A168 D169 A173 Y174 M175 I277M151-F171 HydrophobicContact CB-CE1 4.47Å; M151-F171 HydrophobicContact CB-CZ 3.96Å; Y152-F171 AromaticContact CD2-CD1 3.71Å; Y152-F171 HydrophobicContact CD2-CD1 3.71Å; Y152-F171 AromaticContact CD2-CE1 3.83Å; Y152-F171 HydrophobicContact CD2-CE1 3.83Å; Y152-F171 HydrophobicContact CE2-CD1 4.46Å; Y152-F171 HydrophobicContact CG-CE1 4.41Å; F155-F171 HydrophobicContact CB-CE2 4.3Å; F155-F171 HydrophobicContact CB-CZ 4.09Å; F155-F171 AromaticContact CD1-CD2 3.91Å; F155-F171 HydrophobicContact CD1-CD2 3.91Å; F155-F171 AromaticContact CD1-CE2 3.36Å; F155-F171 HydrophobicContact CD1-CE2 3.36Å; F155-F171 AromaticContact CD1-CZ 3.99Å; F155-F171 HydrophobicContact CD1-CZ 3.99Å; F155-F171 AromaticContact CD2-CE2 3.81Å; F155-F171 HydrophobicContact CD2-CE2 3.81Å; F155-F171 AromaticContact CD2-CZ 3.77Å; F155-F171 HydrophobicContact CD2-CZ 3.77Å; F155-F171 HydrophobicContact CE1-CD2 4.02Å; F155-F171 AromaticContact CE1-CE2 3.43Å; F155-F171 HydrophobicContact CE1-CE2 3.43Å; F155-F171 VanDerWaalsContact CE1-CE2 3.43Å; F155-F171 HydrophobicContact CE1-CZ 4.34Å; F155-F171 AromaticContact CE2-CE2 3.88Å; F155-F171 HydrophobicContact CE2-CE2 3.88Å; F155-F171 HydrophobicContact CE2-CZ 4.14Å; F155-F171 HydrophobicContact CG-CD2 4.42Å; F155-F171 AromaticContact CG-CE2 3.55Å; F155-F171 HydrophobicContact CG-CE2 3.55Å; F155-F171 AromaticContact CG-CZ 3.67Å; F155-F171 HydrophobicContact CG-CZ 3.67Å; F155-F171 AromaticContact CZ-CE2 3.68Å; F155-F171 HydrophobicContact CZ-CE2 3.68Å; F155-F171 HydrophobicContact CZ-CZ 4.4Å; L161-F171 HydrophobicContact CD2-CB 3.97Å; L161-F171 HydrophobicContact CD2-CD1 4.48Å; L161-F171 HydrophobicContact CD2-CD2 3.85Å; L161-F171 HydrophobicContact CD2-CE2 4.47Å; L161-F171 HydrophobicContact CD2-CG 3.83Å; I166-F171 HydrophobicContact CG2-CB 3.99Å; I166-F171 HydrophobicContact CG2-CD2 4.42Å; P167-F171 PolarHBondContact O-N 3.41Å; A168-F171 PolarHBondContact O-N 2.62Å; D169-F171 VanDerWaalsContact C-N 3.33Å; F171-A173 VanDerWaalsContact C-N 3.3Å; F171-A173 PolarHBondContact O-N 3.02Å; F171-Y174 PolarHBondContact O-N 2.96Å; F171-M175 HydrophobicContact CD1-CG 3.95Å; F171-M175 HydrophobicContact CD2-CG 4.45Å; F171-M175 HydrophobicContact CE1-CG 3.53Å; F171-M175 HydrophobicContact CE2-CG 4.05Å; F171-M175 HydrophobicContact CE2-SD 4.36Å; F171-M175 HydrophobicContact CG-CG 4.42Å; F171-M175 HydrophobicContact CZ-CG 3.62Å; F171-M175 HydrophobicContact CZ-SD 4.16Å; F171-M175 WeakPolarHBondContact O-CB 3.23Å; F171-M175 WeakPolarHBondContact O-CG 3.19Å; F171-M175 PolarHBondContact O-N 3.41Å; F171-I277 HydrophobicContact CB-CG2 4.4Å; F171-I277 HydrophobicContact CD2-CG2 4.31Å
172V97.1Very high97.7Very high9 Ų932.4 Ų32.46%0.05517%0.165CC..Hα-helixtrans-62.3-39.7178.6171.80000111I108 G112 Y152 A168 M175 M176I108-V172 HydrophobicContact CG2-CG2 4.34Å; G112-V172 WeakPolarHBondContact O-CG1 3.3Å; Y152-V172 HydrophobicContact CD2-CG2 4.07Å; Y152-V172 HydrophobicContact CE2-CG2 4.11Å; A168-V172 VanDerWaalsContact O-CG2 3.31Å; A168-V172 WeakPolarHBondContact O-CG2 3.06Å; A168-V172 PolarHBondContact O-N 3.13Å; V172-M175 PolarHBondContact O-N 3.24Å; V172-M176 HydrophobicContact CG1-CE 3.63Å; V172-M176 HydrophobicContact CG1-CG 4.11Å; V172-M176 HydrophobicContact CG1-SD 3.83Å; V172-M176 WeakPolarHBondContact O-CB 3.45Å; V172-M176 VanDerWaalsContact O-CG 3.29Å; V172-M176 WeakPolarHBondContact O-CG 3.4Å; V172-M176 PolarHBondContact O-N 3.16Å
173A97Very high97.7Very high7 Ų727.9 Ų27.96%0.05815%0.146CC..Hα-helixtrans-61.8-44.7176.600000112.5D169 T170 F171 T177 N274D169-A173 VanDerWaalsContact O-CB 3.25Å; D169-A173 WeakPolarHBondContact O-CB 3.46Å; D169-A173 PolarHBondContact O-N 3.26Å; T170-A173 PolarHBondContact O-N 3.04Å; F171-A173 VanDerWaalsContact C-N 3.3Å; F171-A173 PolarHBondContact O-N 3.02Å; A173-T177 WeakPolarHBondContact O-CB 3.31Å; A173-T177 PolarHBondContact O-N 3.01Å; A173-T177 VanDerWaalsContact O-N 3.14Å; A173-T177 PolarHBondContact O-OG1 3.17Å; A173-N274 HydrophobicContact CB-CB 4.5Å; A173-N274 WeakPolarHBondContact CB-O 3.37Å
174Y98.5Very high97.6Very high0 Ų029.9 Ų29.90%017%0.169CC..Hα-helixtrans-63.3-49.3174.4178.1-94.8000111.6T170 F171 M176 T177 L178 F224 G266 L269 L270 C275 I277T170-Y174 PolarHBondContact O-N 2.94Å; F171-Y174 PolarHBondContact O-N 2.96Å; Y174-M176 PolarHBondContact O-N 3.36Å; Y174-T177 CarbonylContact O-C 3.59Å; Y174-T177 PolarHBondContact O-N 3.39Å; Y174-L178 HydrophobicContact CE1-CB 4.31Å; Y174-L178 HydrophobicContact CE1-CD2 4.03Å; Y174-L178 WeakPolarHBondContact O-CB 3.38Å; Y174-L178 PolarHBondContact O-N 3.42Å; Y174-F224 HydrophobicContact CE1-CD2 4.42Å; Y174-F224 AromaticContact CE1-CE2 3.57Å; Y174-F224 HydrophobicContact CE1-CE2 3.57Å; Y174-F224 HydrophobicContact CE1-CZ 4.4Å; Y174-F224 AromaticContact CZ-CE2 3.57Å; Y174-F224 AromaticContact CZ-CZ 3.95Å; Y174-F224 WeakPolarHBondContact OH-CE2 3.42Å; Y174-F224 WeakPolarHBondContact OH-CZ 3.44Å; Y174-G266 PolarHBondContact OH-O 2.7Å; Y174-G266 VanDerWaalsContact OH-O 3.05Å; Y174-L269 HydrophobicContact CD2-CB 4.45Å; Y174-L269 HydrophobicContact CE2-CB 3.89Å; Y174-L270 HydrophobicContact CD2-CD2 3.71Å; Y174-L270 HydrophobicContact CD2-CG 4.33Å; Y174-L270 HydrophobicContact CE2-CD2 3.48Å; Y174-L270 VanDerWaalsContact CE2-CD2 3.48Å; Y174-L270 HydrophobicContact CE2-CG 3.76Å; Y174-L270 HydrophobicContact CG-CD2 4.49Å; Y174-C275 HydrophobicContact CD2-CB 4.14Å; Y174-C275 VanDerWaalsContact CD2-O 3.24Å; Y174-C275 WeakPolarHBondContact CD2-O 3.38Å; Y174-I277 HydrophobicContact CD1-CD1 3.93Å; Y174-I277 HydrophobicContact CD1-CG1 4.42Å; Y174-I277 HydrophobicContact CD1-CG2 4.33Å; Y174-I277 HydrophobicContact CE1-CD1 4.12Å; Y174-I277 HydrophobicContact CG-CD1 4.44Å; Y174-I277 HydrophobicContact CG-CG1 4.45Å; Y174-I277 HydrophobicContact CG-CG2 4.02Å
175M98.6Very high97.5Very high0 Ų035.2 Ų35.20%020%0.198CC..Hα-helixtrans-64.9-40.8-176.5-70.4-50.4-49.700113L147 T148 M151 F171 V172 T177 L178 E179L147-M175 HydrophobicContact CD1-CE 4.28Å; L147-M175 HydrophobicContact CD2-CE 4.2Å; L147-M175 HydrophobicContact CG-CE 3.74Å; T148-M175 HydrophobicContact CG2-CB 3.95Å; T148-M175 PolarHBondContact OG1-O 2.89Å; M151-M175 HydrophobicContact CB-CE 3.65Å; M151-M175 HydrophobicContact CB-CG 4.38Å; M151-M175 HydrophobicContact CB-SD 4.09Å; M151-M175 HydrophobicContact CE-CE 4.25Å; M151-M175 HydrophobicContact CE-SD 4.04Å; M151-M175 HydrophobicContact CG-CE 3.52Å; M151-M175 HydrophobicContact CG-SD 4.33Å; F171-M175 HydrophobicContact CD1-CG 3.95Å; F171-M175 HydrophobicContact CD2-CG 4.45Å; F171-M175 HydrophobicContact CE1-CG 3.53Å; F171-M175 HydrophobicContact CE2-CG 4.05Å; F171-M175 HydrophobicContact CE2-SD 4.36Å; F171-M175 HydrophobicContact CG-CG 4.42Å; F171-M175 HydrophobicContact CZ-CG 3.62Å; F171-M175 HydrophobicContact CZ-SD 4.16Å; F171-M175 WeakPolarHBondContact O-CB 3.23Å; F171-M175 WeakPolarHBondContact O-CG 3.19Å; F171-M175 PolarHBondContact O-N 3.41Å; V172-M175 PolarHBondContact O-N 3.24Å; M175-T177 VanDerWaalsContact C-N 3.32Å; M175-T177 PolarHBondContact O-N 2.99Å; M175-L178 HydrophobicContact CE-CD2 3.81Å; M175-L178 PolarHBondContact O-N 3.37Å; M175-L178 HydrophobicContact SD-CD2 4.26Å; M175-E179 VanDerWaalsContact O-CB 3.3Å; M175-E179 WeakPolarHBondContact O-CB 3.43Å; M175-E179 PolarHBondContact O-N 3.05Å
176M96.8Very high97.5Very high45 Ų4528.2 Ų28.222%0.22217%0.169CC..Hα-helixtrans-62.2-42.4173.7-74.2-175.7171.400111.3T148 V172 Y174 E179 D180T148-M176 HydrophobicContact CG2-CG 4.25Å; V172-M176 HydrophobicContact CG1-CE 3.63Å; V172-M176 HydrophobicContact CG1-CG 4.11Å; V172-M176 HydrophobicContact CG1-SD 3.83Å; V172-M176 WeakPolarHBondContact O-CB 3.45Å; V172-M176 VanDerWaalsContact O-CG 3.29Å; V172-M176 WeakPolarHBondContact O-CG 3.4Å; V172-M176 PolarHBondContact O-N 3.16Å; Y174-M176 PolarHBondContact O-N 3.36Å; M176-E179 PolarHBondContact O-N 3.18Å; M176-D180 WeakPolarHBondContact O-CB 3.17Å; M176-D180 PolarHBondContact O-N 3.42Å
177T97.4Very high97.5Very high7 Ų728.4 Ų28.44%0.04317%0.171CC..Hα-helixtrans-66.8-40.7177.9-55.10000111.5H99 A173 Y174 M175 D180 H181 L269H99-T177 PolarHBondContact NE2-OG1 3.45Å; A173-T177 WeakPolarHBondContact O-CB 3.31Å; A173-T177 PolarHBondContact O-N 3.01Å; A173-T177 VanDerWaalsContact O-N 3.14Å; A173-T177 PolarHBondContact O-OG1 3.17Å; Y174-T177 CarbonylContact O-C 3.59Å; Y174-T177 PolarHBondContact O-N 3.39Å; M175-T177 VanDerWaalsContact C-N 3.32Å; M175-T177 PolarHBondContact O-N 2.99Å; T177-D180 PolarHBondContact O-N 2.97Å; T177-H181 PolarHBondContact O-N 2.88Å; T177-H181 PolarHBondContact O-ND1 3.4Å; T177-L269 HydrophobicContact CG2-CD1 4.45Å; T177-L269 HydrophobicContact CG2-CD2 4.01Å
178L98.4Very high97.5Very high0 Ų027.2 Ų27.20%016%0.161CC..Hα-helixtrans-61.5-49.7175.1178.969000111.1L147 Y174 M175 D180 H181 Y182 A227 I228 V231 L269L147-L178 HydrophobicContact CD2-CD2 4.06Å; L147-L178 HydrophobicContact CD2-CG 4.3Å; Y174-L178 HydrophobicContact CE1-CB 4.31Å; Y174-L178 HydrophobicContact CE1-CD2 4.03Å; Y174-L178 WeakPolarHBondContact O-CB 3.38Å; Y174-L178 PolarHBondContact O-N 3.42Å; M175-L178 HydrophobicContact CE-CD2 3.81Å; M175-L178 PolarHBondContact O-N 3.37Å; M175-L178 HydrophobicContact SD-CD2 4.26Å; L178-D180 VanDerWaalsContact C-N 3.28Å; L178-D180 PolarHBondContact O-N 2.96Å; L178-H181 PolarHBondContact O-N 3.22Å; L178-Y182 HydrophobicContact CG-CE2 4.31Å; L178-Y182 PolarHBondContact O-N 3.49Å; L178-A227 HydrophobicContact CD2-CB 4.3Å; L178-I228 HydrophobicContact CD1-CB 4.45Å; L178-I228 HydrophobicContact CD1-CG2 3.85Å; L178-I228 HydrophobicContact CD2-CG2 3.87Å; L178-V231 HydrophobicContact CD1-CB 3.94Å; L178-V231 HydrophobicContact CD1-CG1 4.34Å; L178-V231 HydrophobicContact CD1-CG2 3.62Å; L178-L269 HydrophobicContact CB-CD1 4.34Å; L178-L269 HydrophobicContact CD1-CD1 4Å
179E98.5Very high97.7Very high7 Ų727.6 Ų27.63%0.03316%0.159CC..Hα-helixtrans-63.4-33.3179.7-176.4154.7-140.600112.4R145 P146 L147 T148 M175 M176 H181 Y182 S191R145-E179 VanDerWaalsContact CA-OE1 3.28Å; R145-E179 WeakPolarHBondContact CA-OE1 3.31Å; R145-E179 WeakPolarHBondContact CA-OE2 3.32Å; R145-E179 WeakPolarHBondContact CD-OE2 3.39Å; P146-E179 WeakPolarHBondContact CD-OE1 3.42Å; L147-E179 HydrophobicContact CB-CG 4.33Å; L147-E179 WeakPolarHBondContact CB-OE1 3.28Å; L147-E179 HydrophobicContact CD2-CB 4.45Å; L147-E179 PolarHBondContact N-OE1 3.08Å; T148-E179 WeakPolarHBondContact CB-OE2 3.45Å; T148-E179 PolarHBondContact N-OE2 2.83Å; T148-E179 PolarHBondContact OG1-OE2 3.35Å; M175-E179 VanDerWaalsContact O-CB 3.3Å; M175-E179 WeakPolarHBondContact O-CB 3.43Å; M175-E179 PolarHBondContact O-N 3.05Å; M176-E179 PolarHBondContact O-N 3.18Å; E179-H181 PolarHBondContact O-N 3.14Å; E179-Y182 PolarHBondContact O-N 3.33Å; E179-S191 WeakPolarHBondContact OE1-CB 3.39Å; E179-S191 PolarHBondContact OE1-OG 3.19Å
180D97.5Very high97.8Very high50 Ų5024.7 Ų24.727%0.26714%0.143SC..Hα-helixtrans-66.8-18.7172.6-73.5-27.4000114V97 H99 R145 M176 T177 L178V97-D180 HydrophobicContact CG1-CB 4.42Å; V97-D180 HydrophobicContact CG2-CB 4.15Å; H99-D180 IonicContact CE1-OD2 3.43Å; H99-D180 PolarHBondContact CE1-OD2 3Å; H99-D180 VanDerWaalsContact CE1-OD2 3.23Å; H99-D180 IonicContact NE2-OD2 3.7Å; R145-D180 IonicContact CZ-OD1 3.59Å; R145-D180 IonicContact NH1-OD1 2.78Å; R145-D180 PolarHBondContact NH1-OD1 3.35Å; R145-D180 IonicContact NH2-OD1 2.66Å; R145-D180 PolarHBondContact NH2-OD1 3.41Å; M176-D180 WeakPolarHBondContact O-CB 3.17Å; M176-D180 PolarHBondContact O-N 3.42Å; T177-D180 PolarHBondContact O-N 2.97Å; L178-D180 VanDerWaalsContact C-N 3.28Å; L178-D180 PolarHBondContact O-N 2.96Å
181H98.1Very high97.9Very high10 Ų1025.4 Ų25.45%0.04615%0.149CC..THydrogen-bonded Turntrans-91.7-5.5175.6-73.476.1000113V94 K95 T177 L178 E179 H183 V231 D232 L269V94-H181 WeakPolarHBondContact CG1-NE2 3.3Å; K95-H181 PolarHBondContact O-NE2 2.88Å; T177-H181 PolarHBondContact O-N 2.88Å; T177-H181 PolarHBondContact O-ND1 3.4Å; L178-H181 PolarHBondContact O-N 3.22Å; E179-H181 PolarHBondContact O-N 3.14Å; H181-H183 PolarHBondContact O-CD2 3.48Å; H181-V231 HydrophobicContact CB-CG2 3.61Å; H181-D232 VanDerWaalsContact O-CA 3.25Å; H181-D232 WeakPolarHBondContact O-CA 3.24Å; H181-D232 PolarHBondContact O-N 3.04Å; H181-D232 VanDerWaalsContact O-N 3.08Å; H181-L269 HydrophobicContact CB-CD1 4.4Å
182Y98.6Very high97.9Very high10 Ų1025.8 Ų25.84%0.03915%0.15CC..SBendtrans-81.3133.5163.6-80.4-85.4000109.9L147 L178 E179 A184 N190 A194 A227 D230 V231L147-Y182 HydrophobicContact CD2-CD2 4.02Å; L147-Y182 HydrophobicContact CD2-CE2 3.69Å; L178-Y182 HydrophobicContact CG-CE2 4.31Å; L178-Y182 PolarHBondContact O-N 3.49Å; E179-Y182 PolarHBondContact O-N 3.33Å; Y182-A184 PolarHBondContact O-N 3.43Å; Y182-N190 VanDerWaalsContact CD1-C 3.41Å; Y182-A194 HydrophobicContact CE1-CB 3.76Å; Y182-A194 HydrophobicContact CE2-CB 3.93Å; Y182-A194 VanDerWaalsContact OH-CB 3.27Å; Y182-A194 WeakPolarHBondContact OH-CB 3.27Å; Y182-A227 PolarHBondContact OH-O 2.98Å; Y182-D230 HydrophobicContact CE1-CB 3.75Å; Y182-D230 WeakPolarHBondContact CE1-O 3.38Å; Y182-D230 PolarHBondContact OH-N 3.04Å; Y182-V231 HydrophobicContact CD2-CB 4.41Å; Y182-V231 HydrophobicContact CD2-CG2 4.24Å; Y182-V231 HydrophobicContact CE2-CB 3.86Å; Y182-V231 HydrophobicContact CE2-CG2 4.11Å; Y182-V231 PolarHBondContact OH-N 3.39Å
183H97.8Very high98Very high56 Ų5625.3 Ų25.326%0.25915%0.148SC..  trans-81.6113.7-172.2-67.7-170.5000109.8H181 D185 V186 N190 D232H181-H183 PolarHBondContact O-CD2 3.48Å; H183-D185 WeakPolarHBondContact CB-OD1 3.38Å; H183-D185 PolarHBondContact O-N 3.1Å; H183-V186 HydrophobicContact CB-CB 4.1Å; H183-V186 HydrophobicContact CB-CG2 3.58Å; H183-V186 PolarHBondContact O-N 3.13Å; H183-V186 VanDerWaalsContact O-N 3.16Å; H183-N190 WeakPolarHBondContact O-CB 3.49Å; H183-D232 IonicContact CD2-OD1 3.44Å; H183-D232 IonicContact CE1-OD1 2.76Å; H183-D232 IonicContact NE2-OD1 3.35Å; H183-D232 PolarHBondContact NE2-OD1 3.18Å
184A95.8Very high98.1Very high103 Ų10325 Ų2585%0.85115%0.145SC*.THydrogen-bonded Turntrans-68.9-16.5-179.200000113.6Y182Y182-A184 PolarHBondContact O-N 3.43Å
185D96.4Very high98.1Very high128 Ų12825 Ų2568%0.68415%0.145SC*.THydrogen-bonded Turntrans-87.4-6.717558-47.7000113.6H183H183-D185 WeakPolarHBondContact CB-OD1 3.38Å; H183-D185 PolarHBondContact O-N 3.1Å
186V98.2Very high98.2Very high7 Ų725.1 Ų25.14%0.04215%0.146CC..SBendtrans-87.7127.4171.5173.80000108.7H183 H189 N190 E368H183-V186 HydrophobicContact CB-CB 4.1Å; H183-V186 HydrophobicContact CB-CG2 3.58Å; H183-V186 PolarHBondContact O-N 3.13Å; H183-V186 VanDerWaalsContact O-N 3.16Å; V186-H189 HydrophobicContact CG1-CB 4.12Å; V186-N190 PolarHBondContact O-ND2 3.29Å; V186-E368 HydrophobicContact CG1-CG 4.43Å; V186-E368 WeakPolarHBondContact CG1-OE2 3.46Å
187A98.3Very high98.3Very high11 Ų1123 Ų239%0.09114%0.135CC..SBendtrans-72.8-39.3-166.300000113.6N190 R364 E367 E368A187-N190 PolarHBondContact O-ND2 2.95Å; A187-N190 VanDerWaalsContact O-ND2 3.1Å; A187-R364 WeakPolarHBondContact CB-O 3.49Å; A187-R364 PolarHBondContact O-NH1 3.33Å; A187-E367 HydrophobicContact CB-CB 3.97Å; A187-E367 HydrophobicContact CB-CG 3.81Å; A187-E368 HydrophobicContact CB-CB 4.28Å
188Y98.8Very high98.3Very high17 Ų1722.7 Ų22.77%0.06713%0.133CC..SBendtrans-109.6-62-177.1-179.8-87.8000112.2N190 H193 N350 W361 R364 I365 E368Y188-N190 PolarHBondContact O-N 3.42Å; Y188-H193 AromaticContact CE1-CD2 3.91Å; Y188-H193 AromaticContact CE1-CE1 3.74Å; Y188-H193 AromaticContact CE1-CG 3.84Å; Y188-H193 AromaticContact CE1-ND1 3.76Å; Y188-H193 AromaticContact CE1-NE2 3.84Å; Y188-H193 AromaticContact CZ-CE1 3.66Å; Y188-H193 AromaticContact CZ-ND1 3.56Å; Y188-H193 VanDerWaalsContact O-CB 3.23Å; Y188-H193 WeakPolarHBondContact O-CB 3.39Å; Y188-H193 PolarHBondContact OH-CE1 3.01Å; Y188-H193 PolarHBondContact OH-ND1 2.99Å; Y188-N350 VanDerWaalsContact CE2-ND2 3.29Å; Y188-N350 WeakPolarHBondContact CE2-ND2 3.19Å; Y188-N350 PolarHBondContact OH-ND2 2.91Å; Y188-W361 AromaticContact CD2-CE3 3.77Å; Y188-W361 HydrophobicContact CD2-CE3 3.77Å; Y188-W361 HydrophobicContact CD2-CZ3 4.25Å; Y188-W361 HydrophobicContact CE2-CB 4.48Å; Y188-W361 HydrophobicContact CE2-CD2 4.38Å; Y188-W361 AromaticContact CE2-CE3 3.7Å; Y188-W361 HydrophobicContact CE2-CE3 3.7Å; Y188-W361 HydrophobicContact CE2-CZ3 4.32Å; Y188-R364 HydrophobicContact CD2-CB 4.2Å; Y188-I365 HydrophobicContact CD1-CD1 3.67Å; Y188-I365 HydrophobicContact CD2-CB 3.68Å; Y188-I365 HydrophobicContact CD2-CD1 4.17Å; Y188-I365 HydrophobicContact CD2-CG1 4.44Å; Y188-I365 HydrophobicContact CE1-CD1 4.13Å; Y188-I365 HydrophobicContact CE2-CB 4.15Å; Y188-I365 HydrophobicContact CG-CB 4Å; Y188-I365 HydrophobicContact CG-CD1 3.68Å; Y188-I365 HydrophobicContact CG-CG1 4.41Å; Y188-E368 WeakPolarHBondContact CA-OE2 3.48Å; Y188-E368 WeakPolarHBondContact CB-OE2 3.27Å; Y188-E368 PolarHBondContact N-OE2 2.98Å
189H98.8Very high98.3Very high33 Ų3322.7 Ų22.715%0.15313%0.133CC..THydrogen-bonded Turntrans-76.963.8-174.6-58.798.2000112V186 D230 H233 E368V186-H189 HydrophobicContact CG1-CB 4.12Å; H189-D230 IonicContact CD2-OD2 3.35Å; H189-D230 PolarHBondContact CD2-OD2 2.66Å; H189-D230 VanDerWaalsContact CD2-OD2 3.31Å; H189-H233 HydrophobicContact CB-CB 3.88Å; H189-H233 WeakPolarHBondContact CB-ND1 3.2Å; H189-H233 AromaticContact CG-CE1 3.69Å; H189-H233 AromaticContact CG-ND1 3.69Å; H189-H233 AromaticContact ND1-CE1 3.44Å; H189-H233 PolarHBondContact ND1-CE1 2.93Å; H189-H233 AromaticContact ND1-ND1 3.78Å; H189-H233 AromaticContact ND1-NE2 3.98Å; H189-E368 IonicContact CE1-OE1 3.4Å; H189-E368 IonicContact CG-OE1 3.98Å; H189-E368 PolarHBondContact N-OE2 3.03Å; H189-E368 IonicContact ND1-OE1 3.12Å; H189-E368 PolarHBondContact ND1-OE1 3.09Å; H189-E368 IonicContact ND1-OE2 3.7Å
190N98.7Very high98.4Very high16 Ų1622.3 Ų22.39%0.08613%0.132CC..THydrogen-bonded Turntrans-123.7-174.7178.163.950.7000110.7Y182 H183 V186 A187 Y188 L192 H193 A194Y182-N190 VanDerWaalsContact CD1-C 3.41Å; H183-N190 WeakPolarHBondContact O-CB 3.49Å; V186-N190 PolarHBondContact O-ND2 3.29Å; A187-N190 PolarHBondContact O-ND2 2.95Å; A187-N190 VanDerWaalsContact O-ND2 3.1Å; Y188-N190 PolarHBondContact O-N 3.42Å; N190-L192 PolarHBondContact O-N 3.13Å; N190-L192 VanDerWaalsContact O-N 3.11Å; N190-L192 WeakPolarHBondContact OD1-CB 3.17Å; N190-L192 PolarHBondContact OD1-N 2.77Å; N190-H193 PolarHBondContact O-N 3.09Å; N190-H193 VanDerWaalsContact O-N 3.13Å; N190-A194 PolarHBondContact O-N 2.74Å
191S98.8Very high98.4Very high18 Ų1820 Ų2013%0.12612%0.119CC..Hα-helixtrans-64.7-19.8-174.372.50000114E179 A195E179-S191 WeakPolarHBondContact OE1-CB 3.39Å; E179-S191 PolarHBondContact OE1-OG 3.19Å; S191-A195 WeakPolarHBondContact O-CB 3.36Å; S191-A195 PolarHBondContact O-N 3.41Å
192L98.8Very high98.5Very high7 Ų719.6 Ų19.64%0.03712%0.117CC..Hα-helixtrans-68.1-45.4175-171.768000111.2I135 F136 P146 N190 A195 D196 W361I135-L192 HydrophobicContact CG1-CD1 3.98Å; I135-L192 HydrophobicContact CG2-CD1 4.14Å; I135-L192 HydrophobicContact CG2-CG 4.4Å; I135-L192 WeakPolarHBondContact O-CD1 3.5Å; F136-L192 HydrophobicContact CD1-CD2 3.49Å; F136-L192 VanDerWaalsContact CD1-CD2 3.49Å; F136-L192 HydrophobicContact CE1-CD2 3.45Å; F136-L192 VanDerWaalsContact CE1-CD2 3.45Å; F136-L192 HydrophobicContact CE1-CG 4.48Å; P146-L192 HydrophobicContact CB-CD1 3.99Å; P146-L192 HydrophobicContact CG-CB 4.38Å; P146-L192 HydrophobicContact CG-CD1 3.82Å; N190-L192 PolarHBondContact O-N 3.13Å; N190-L192 VanDerWaalsContact O-N 3.11Å; N190-L192 WeakPolarHBondContact OD1-CB 3.17Å; N190-L192 PolarHBondContact OD1-N 2.77Å; L192-A195 WeakPolarHBondContact O-CB 3.22Å; L192-A195 PolarHBondContact O-N 3.28Å; L192-D196 PolarHBondContact O-N 3.3Å; L192-W361 HydrophobicContact CB-CH2 4.2Å; L192-W361 HydrophobicContact CD2-CH2 3.93Å; L192-W361 HydrophobicContact CD2-CZ3 4.4Å; L192-W361 HydrophobicContact CG-CH2 3.7Å; L192-W361 HydrophobicContact CG-CZ2 4.33Å
193H98.9Very high98.4Very high0 Ų020.3 Ų20.30%012%0.122CC..Hα-helixtrans-62.4-48.7176.2175.257000110.1Y188 N190 A195 D196 V197 H229 D230 D347 W361Y188-H193 AromaticContact CE1-CD2 3.91Å; Y188-H193 AromaticContact CE1-CE1 3.74Å; Y188-H193 AromaticContact CE1-CG 3.84Å; Y188-H193 AromaticContact CE1-ND1 3.76Å; Y188-H193 AromaticContact CE1-NE2 3.84Å; Y188-H193 AromaticContact CZ-CE1 3.66Å; Y188-H193 AromaticContact CZ-ND1 3.56Å; Y188-H193 VanDerWaalsContact O-CB 3.23Å; Y188-H193 WeakPolarHBondContact O-CB 3.39Å; Y188-H193 PolarHBondContact OH-CE1 3.01Å; Y188-H193 PolarHBondContact OH-ND1 2.99Å; N190-H193 PolarHBondContact O-N 3.09Å; N190-H193 VanDerWaalsContact O-N 3.13Å; H193-A195 PolarHBondContact O-N 2.78Å; H193-A195 VanDerWaalsContact O-N 3.16Å; H193-D196 WeakPolarHBondContact O-CB 3.28Å; H193-D196 PolarHBondContact O-N 3.44Å; H193-V197 WeakPolarHBondContact CE1-CG2 3.44Å; H193-V197 WeakPolarHBondContact O-CG2 3.36Å; H193-V197 PolarHBondContact O-N 3.45Å; H193-H229 AromaticContact CD2-CE1 3.83Å; H193-H229 AromaticContact CD2-NE2 3.78Å; H193-H229 AromaticContact NE2-CE1 3.7Å; H193-H229 AromaticContact NE2-NE2 3.32Å; H193-H229 PolarHBondContact NE2-NE2 3.43Å; H193-D230 IonicContact CD2-OD2 3.38Å; H193-D230 PolarHBondContact CD2-OD2 3.17Å; H193-D230 IonicContact NE2-OD2 2.84Å; H193-D230 PolarHBondContact NE2-OD2 3.04Å; H193-D347 IonicContact CE1-OD1 2.68Å; H193-D347 PolarHBondContact CE1-OD1 3.35Å; H193-D347 IonicContact NE2-OD1 2.7Å; H193-D347 PolarHBondContact NE2-OD1 3.4Å; H193-W361 HydrophobicContact CB-CH2 4.09Å; H193-W361 HydrophobicContact CB-CZ3 4.11Å
194A98.9Very high98.5Very high0 Ų017.8 Ų17.80%011%0.11CC..Hα-helixtrans-56.3-36175.100000113.3L147 Y182 N190 A198L147-A194 HydrophobicContact CD1-CB 4.13Å; L147-A194 HydrophobicContact CD2-CB 4.14Å; Y182-A194 HydrophobicContact CE1-CB 3.76Å; Y182-A194 HydrophobicContact CE2-CB 3.93Å; Y182-A194 VanDerWaalsContact OH-CB 3.27Å; Y182-A194 WeakPolarHBondContact OH-CB 3.27Å; N190-A194 PolarHBondContact O-N 2.74Å; A194-A198 VanDerWaalsContact O-CB 3.24Å; A194-A198 WeakPolarHBondContact O-CB 3.47Å; A194-A198 PolarHBondContact O-N 3.06Å
195A98.9Very high98.6Very high0 Ų013.4 Ų13.40%07%0.072CC..Hα-helixtrans-69.7-38.717600000112.3I135 P146 L147 I150 S191 L192 H193 Q199I135-A195 HydrophobicContact CD1-CB 3.78Å; I135-A195 HydrophobicContact CG1-CB 4.01Å; P146-A195 HydrophobicContact CB-CB 3.94Å; P146-A195 HydrophobicContact CG-CB 4.44Å; L147-A195 HydrophobicContact CB-CB 4.16Å; L147-A195 HydrophobicContact CD1-CB 4.29Å; I150-A195 HydrophobicContact CG1-CB 4.46Å; S191-A195 WeakPolarHBondContact O-CB 3.36Å; S191-A195 PolarHBondContact O-N 3.41Å; L192-A195 WeakPolarHBondContact O-CB 3.22Å; L192-A195 PolarHBondContact O-N 3.28Å; H193-A195 PolarHBondContact O-N 2.78Å; H193-A195 VanDerWaalsContact O-N 3.16Å; A195-Q199 WeakPolarHBondContact O-CB 3.3Å; A195-Q199 PolarHBondContact O-N 3.04Å
196D98.9Very high98.6Very high3 Ų310.5 Ų10.52%0.0166%0.062CC..Hα-helixtrans-65.7-45.3175.3-167.529.6000111.5I135 L192 H193 Q199 S200 N350 K353 W361I135-D196 HydrophobicContact CG1-CB 4.42Å; I135-D196 HydrophobicContact CG2-CB 4.14Å; L192-D196 PolarHBondContact O-N 3.3Å; H193-D196 WeakPolarHBondContact O-CB 3.28Å; H193-D196 PolarHBondContact O-N 3.44Å; D196-Q199 PolarHBondContact O-N 3.44Å; D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-N 3.46Å; D196-S200 PolarHBondContact O-OG 3.39Å; D196-N350 PolarHBondContact OD2-OD1 3.48Å; D196-K353 IonicContact OD1-NZ 3.02Å; D196-K353 PolarHBondContact OD1-NZ 2.99Å; D196-K353 IonicContact OD2-NZ 3.12Å; D196-K353 PolarHBondContact OD2-NZ 3.14Å; D196-W361 HydrophobicContact CB-CZ2 3.79Å; D196-W361 PolarHBondContact OD2-NE1 3.11Å
197V98.9Very high98.6Very high0 Ų010.9 Ų10.90%06%0.064CC..Hα-helixtrans-64.6-41.8177.2-178.70000111.1H193 S200 T201 A226 A346 D347H193-V197 WeakPolarHBondContact CE1-CG2 3.44Å; H193-V197 WeakPolarHBondContact O-CG2 3.36Å; H193-V197 PolarHBondContact O-N 3.45Å; V197-S200 PolarHBondContact O-N 3.39Å; V197-T201 VanDerWaalsContact O-CB 3.28Å; V197-T201 WeakPolarHBondContact O-CB 3.16Å; V197-T201 PolarHBondContact O-N 2.86Å; V197-T201 PolarHBondContact O-OG1 3.47Å; V197-A226 HydrophobicContact CG1-CB 4.01Å; V197-A346 HydrophobicContact CG1-CB 3.93Å; V197-D347 HydrophobicContact CG1-CB 4.4Å; V197-D347 HydrophobicContact CG2-CB 4.44Å
198A98.9Very high98.5Very high0 Ų014.2 Ų14.20%09%0.085CC..Hα-helixtrans-64.2-41.9176.200000112.5M151 A194 H202 A226M151-A198 HydrophobicContact SD-CB 3.93Å; A194-A198 VanDerWaalsContact O-CB 3.24Å; A194-A198 WeakPolarHBondContact O-CB 3.47Å; A194-A198 PolarHBondContact O-N 3.06Å; A198-H202 WeakPolarHBondContact O-CB 3.4Å; A198-H202 PolarHBondContact O-N 3.39Å; A198-A226 HydrophobicContact CB-CB 4.23Å
199Q98.9Very high98.3Very high0 Ų013.8 Ų13.80%09%0.085CC..Hα-helixtrans-69-42.9176.3-168.8-87.3-21.800111.7L128 K130 L133 I150 A195 D196 T201 H202 I203L128-Q199 HydrophobicContact CD1-CG 4.48Å; L128-Q199 PolarHBondContact O-NE2 2.99Å; K130-Q199 PolarHBondContact O-NE2 2.81Å; L133-Q199 HydrophobicContact CD2-CG 4.43Å; I150-Q199 HydrophobicContact CG2-CB 3.91Å; I150-Q199 HydrophobicContact CG2-CG 4.5Å; A195-Q199 WeakPolarHBondContact O-CB 3.3Å; A195-Q199 PolarHBondContact O-N 3.04Å; D196-Q199 PolarHBondContact O-N 3.44Å; Q199-T201 PolarHBondContact O-N 2.96Å; Q199-H202 CarbonylContact O-C 3.6Å; Q199-H202 WeakPolarHBondContact O-CA 3.42Å; Q199-H202 VanDerWaalsContact O-CB 3.29Å; Q199-H202 WeakPolarHBondContact O-CB 3.28Å; Q199-H202 PolarHBondContact O-N 2.87Å; Q199-H202 VanDerWaalsContact O-N 3.09Å; Q199-I203 WeakPolarHBondContact O-CG1 3.24Å; Q199-I203 PolarHBondContact O-N 3.41Å
200S98.9Very high98.2Very high0 Ų012.4 Ų12.40%08%0.078CC..Hα-helixtrans-61.7-45176.6-58.90000111D196 V197 H202 I203 L204 K353D196-S200 WeakPolarHBondContact O-CB 3.47Å; D196-S200 PolarHBondContact O-N 3.46Å; D196-S200 PolarHBondContact O-OG 3.39Å; V197-S200 PolarHBondContact O-N 3.39Å; S200-H202 VanDerWaalsContact C-N 3.29Å; S200-H202 PolarHBondContact O-N 3.43Å; S200-I203 WeakPolarHBondContact O-CB 3.49Å; S200-I203 PolarHBondContact O-N 3.43Å; S200-L204 WeakPolarHBondContact O-CG 3.48Å; S200-L204 PolarHBondContact O-N 3.33Å; S200-K353 WeakPolarHBondContact OG-CE 3.2Å; S200-K353 PolarHBondContact OG-NZ 3.05Å
201T98.9Very high97.9Very high0 Ų017 Ų170%010%0.103CC..Hα-helixtrans-59.3-40.9172.8-59.30000111.2V197 Q199 I203 L204 L205 A222 A226 M342 V343 A346V197-T201 VanDerWaalsContact O-CB 3.28Å; V197-T201 WeakPolarHBondContact O-CB 3.16Å; V197-T201 PolarHBondContact O-N 2.86Å; V197-T201 PolarHBondContact O-OG1 3.47Å; Q199-T201 PolarHBondContact O-N 2.96Å; T201-I203 VanDerWaalsContact C-N 3.3Å; T201-I203 PolarHBondContact O-N 3.29Å; T201-L204 PolarHBondContact O-N 2.8Å; T201-L205 HydrophobicContact CG2-CD1 4.13Å; T201-L205 HydrophobicContact CG2-CG 4.45Å; T201-L205 WeakPolarHBondContact O-CB 3.23Å; T201-L205 VanDerWaalsContact O-CG 3.31Å; T201-L205 WeakPolarHBondContact O-CG 3.37Å; T201-L205 PolarHBondContact O-N 3.13Å; T201-A222 HydrophobicContact CG2-CB 4.18Å; T201-A226 HydrophobicContact CG2-CB 4.45Å; T201-M342 HydrophobicContact CG2-SD 4.38Å; T201-V343 HydrophobicContact CG2-CG2 4.25Å; T201-A346 VanDerWaalsContact OG1-CB 3.28Å; T201-A346 WeakPolarHBondContact OG1-CB 3.41Å
202H98.7Very high97.6Very high2 Ų220.6 Ų20.61%0.00913%0.134CC..Hα-helixtrans-59.9-38173.9165.997.6000112.2N129 I154 R158 A198 Q199 S200 S206N129-H202 PolarHBondContact OD1-NE2 2.98Å; I154-H202 HydrophobicContact CD1-CB 3.76Å; I154-H202 HydrophobicContact CG1-CB 4.04Å; I154-H202 HydrophobicContact CG2-CB 4.28Å; I154-H202 WeakPolarHBondContact CG2-ND1 3.35Å; R158-H202 PolarHBondContact NE-CE1 2.91Å; R158-H202 PolarHBondContact NE-ND1 3.5Å; R158-H202 PolarHBondContact NH2-O 3.28Å; A198-H202 WeakPolarHBondContact O-CB 3.4Å; A198-H202 PolarHBondContact O-N 3.39Å; Q199-H202 CarbonylContact O-C 3.6Å; Q199-H202 WeakPolarHBondContact O-CA 3.42Å; Q199-H202 VanDerWaalsContact O-CB 3.29Å; Q199-H202 WeakPolarHBondContact O-CB 3.28Å; Q199-H202 PolarHBondContact O-N 2.87Å; Q199-H202 VanDerWaalsContact O-N 3.09Å; S200-H202 VanDerWaalsContact C-N 3.29Å; S200-H202 PolarHBondContact O-N 3.43Å; H202-S206 PolarHBondContact O-OG 3.17Å
203I98.4Very high97.5Very high26 Ų2621 Ų2113%0.13314%0.136CC..Hα-helixtrans-68.4-46.9175.2-59.7-59000111.5L128 N129 K130 W131 Q199 S200 T201 L205 S206 T207L128-I203 WeakPolarHBondContact O-CD1 3.26Å; N129-I203 VanDerWaalsContact CA-CD1 3.4Å; N129-I203 WeakPolarHBondContact O-CD1 3.39Å; K130-I203 VanDerWaalsContact N-CD1 3.32Å; W131-I203 HydrophobicContact CE3-CB 3.99Å; W131-I203 HydrophobicContact CE3-CG1 4.37Å; W131-I203 HydrophobicContact CE3-CG2 3.87Å; W131-I203 HydrophobicContact CZ3-CB 4.33Å; Q199-I203 WeakPolarHBondContact O-CG1 3.24Å; Q199-I203 PolarHBondContact O-N 3.41Å; S200-I203 WeakPolarHBondContact O-CB 3.49Å; S200-I203 PolarHBondContact O-N 3.43Å; T201-I203 VanDerWaalsContact C-N 3.3Å; T201-I203 PolarHBondContact O-N 3.29Å; I203-L205 VanDerWaalsContact C-N 3.27Å; I203-L205 PolarHBondContact O-N 3.06Å; I203-S206 WeakPolarHBondContact O-CA 3.41Å; I203-S206 WeakPolarHBondContact O-CB 3.14Å; I203-S206 PolarHBondContact O-N 3.06Å; I203-T207 PolarHBondContact O-N 3.08Å
204L98.6Very high97.4Very high2 Ų221.8 Ų21.81%0.0114%0.14CC..Hα-helixtrans-63.7-31.7-178.7-62.8178.4000112.7W131 S200 T201 S206 T207 M342 C345 A346 W410 W413W131-L204 HydrophobicContact CH2-CD2 4.49Å; W131-L204 HydrophobicContact CZ3-CD2 4.11Å; W131-L204 HydrophobicContact CZ3-CG 4.14Å; S200-L204 WeakPolarHBondContact O-CG 3.48Å; S200-L204 PolarHBondContact O-N 3.33Å; T201-L204 PolarHBondContact O-N 2.8Å; L204-S206 PolarHBondContact O-N 2.94Å; L204-T207 WeakPolarHBondContact O-CB 3.42Å; L204-T207 PolarHBondContact O-N 3.3Å; L204-T207 PolarHBondContact O-OG1 3.18Å; L204-M342 HydrophobicContact CB-CE 4.29Å; L204-M342 HydrophobicContact CB-CG 3.6Å; L204-M342 HydrophobicContact CB-SD 3.95Å; L204-M342 HydrophobicContact CD1-CG 3.88Å; L204-M342 HydrophobicContact CG-CG 4.41Å; L204-C345 HydrophobicContact CD1-CB 4.21Å; L204-A346 HydrophobicContact CD1-CB 4.27Å; L204-W410 HydrophobicContact CD1-CH2 4.21Å; L204-W410 HydrophobicContact CD2-CH2 4.08Å; L204-W410 HydrophobicContact CD2-CZ3 4.16Å; L204-W413 HydrophobicContact CB-CZ2 4.26Å; L204-W413 HydrophobicContact CD2-CZ2 4.32Å
205L98.4Very high97.4Very high12 Ų1225.2 Ų25.26%0.06316%0.161CC..THydrogen-bonded Turntrans-66.6-17.7171.3-75.9168.3000113.6T201 I203 F214 I219 A222 I223 L339 M342T201-L205 HydrophobicContact CG2-CD1 4.13Å; T201-L205 HydrophobicContact CG2-CG 4.45Å; T201-L205 WeakPolarHBondContact O-CB 3.23Å; T201-L205 VanDerWaalsContact O-CG 3.31Å; T201-L205 WeakPolarHBondContact O-CG 3.37Å; T201-L205 PolarHBondContact O-N 3.13Å; I203-L205 VanDerWaalsContact C-N 3.27Å; I203-L205 PolarHBondContact O-N 3.06Å; L205-F214 HydrophobicContact CD2-CD2 3.99Å; L205-F214 HydrophobicContact CD2-CE2 4.42Å; L205-I219 HydrophobicContact CD1-CG2 4.24Å; L205-I219 HydrophobicContact CD2-CG1 4.34Å; L205-A222 HydrophobicContact CD1-CB 4.19Å; L205-A222 HydrophobicContact CD2-CB 4.49Å; L205-I223 HydrophobicContact CD1-CD1 3.97Å; L205-I223 HydrophobicContact CD1-CG1 3.76Å; L205-L339 HydrophobicContact CD2-CD2 4.06Å; L205-M342 HydrophobicContact CB-SD 4.41Å; L205-M342 HydrophobicContact CD2-CE 3.95Å; L205-M342 HydrophobicContact CD2-SD 3.53Å; L205-M342 VanDerWaalsContact CD2-SD 3.53Å; L205-M342 HydrophobicContact CG-CE 4.32Å; L205-M342 HydrophobicContact CG-SD 3.53Å; L205-M342 VanDerWaalsContact CG-SD 3.53Å
206S97.1Very high97.4Very high67 Ų6729.2 Ų29.247%0.46918%0.183SC..THydrogen-bonded Turntrans-99.16.6178-63.10000113.1R158 H202 I203 L204R158-S206 PolarHBondContact NH2-OG 3Å; H202-S206 PolarHBondContact O-OG 3.17Å; I203-S206 WeakPolarHBondContact O-CA 3.41Å; I203-S206 WeakPolarHBondContact O-CB 3.14Å; I203-S206 PolarHBondContact O-N 3.06Å; L204-S206 PolarHBondContact O-N 2.94Å
207T97.1Very high97.3Very high15 Ų1530.2 Ų30.29%0.09219%0.188CC..  trans-58.8126.8175.6-66.30000110.5I203 L204 A209 L210 D211 V417 D420I203-T207 PolarHBondContact O-N 3.08Å; L204-T207 WeakPolarHBondContact O-CB 3.42Å; L204-T207 PolarHBondContact O-N 3.3Å; L204-T207 PolarHBondContact O-OG1 3.18Å; T207-A209 VanDerWaalsContact C-N 3.29Å; T207-A209 HydrophobicContact CG2-CB 4.28Å; T207-A209 PolarHBondContact O-N 3.37Å; T207-L210 CarbonylContact O-C 3.47Å; T207-L210 WeakPolarHBondContact O-CA 3.42Å; T207-L210 PolarHBondContact O-N 2.94Å; T207-D211 PolarHBondContact O-N 3.08Å; T207-V417 HydrophobicContact CG2-CB 3.71Å; T207-V417 HydrophobicContact CG2-CG1 4.02Å; T207-V417 HydrophobicContact CG2-CG2 4Å; T207-D420 HydrophobicContact CG2-CB 3.58Å; T207-D420 WeakPolarHBondContact CG2-OD2 3.25Å
208P96.5Very high97.3Very high81 Ų8130.9 Ų30.953%0.52619%0.191SC..G310 helixtrans-51.7-40-177.9-30.134000115.2L210 D211 D420P208-L210 PolarHBondContact O-N 2.94Å; P208-L210 VanDerWaalsContact O-N 3.09Å; P208-D211 WeakPolarHBondContact O-CB 3.47Å; P208-D211 PolarHBondContact O-N 2.67Å; P208-D420 WeakPolarHBondContact CD-OD2 3.36Å
209A94.7Very high97.3Very high8 Ų832 Ų327%0.06620%0.196CC..G310 helixtrans-60.5-18.4175.500000113.8T207 L327 V417 D420T207-A209 VanDerWaalsContact C-N 3.29Å; T207-A209 HydrophobicContact CG2-CB 4.28Å; T207-A209 PolarHBondContact O-N 3.37Å; A209-L327 WeakPolarHBondContact O-CB 3.44Å; A209-L327 PolarHBondContact O-N 3.27Å; A209-V417 HydrophobicContact CB-CB 3.95Å; A209-V417 HydrophobicContact CB-CG1 4.31Å; A209-D420 WeakPolarHBondContact CB-OD2 3.45Å; A209-D420 PolarHBondContact N-OD2 3.42Å
210L95.9Very high97.3Very high3 Ų332 Ų322%0.01620%0.196CC..G310 helixtrans-107.910.7179.9-57.7175.5000112.6T207 P208 A212 V213 F214 L327 V338 M342 W413 V417T207-L210 CarbonylContact O-C 3.47Å; T207-L210 WeakPolarHBondContact O-CA 3.42Å; T207-L210 PolarHBondContact O-N 2.94Å; P208-L210 PolarHBondContact O-N 2.94Å; P208-L210 VanDerWaalsContact O-N 3.09Å; L210-A212 PolarHBondContact O-N 2.66Å; L210-V213 WeakPolarHBondContact O-CB 3.49Å; L210-V213 WeakPolarHBondContact O-CG2 3.12Å; L210-V213 PolarHBondContact O-N 2.74Å; L210-V213 VanDerWaalsContact O-N 3.13Å; L210-F214 HydrophobicContact CB-CE2 4.16Å; L210-F214 HydrophobicContact CD1-CE2 4.14Å; L210-F214 HydrophobicContact CD2-CE2 4.32Å; L210-F214 HydrophobicContact CG-CE2 4.44Å; L210-L327 HydrophobicContact CD2-CB 4.23Å; L210-L327 HydrophobicContact CD2-CD2 3.85Å; L210-V338 HydrophobicContact CD2-CG1 4.45Å; L210-M342 HydrophobicContact CD1-CE 3.57Å; L210-W413 HydrophobicContact CD1-CH2 4.12Å; L210-W413 HydrophobicContact CD1-CZ2 4.18Å; L210-V417 HydrophobicContact CD1-CG1 4.15Å; L210-V417 HydrophobicContact CD2-CG1 4.49Å; L210-V417 HydrophobicContact CG-CG1 4.18Å
211D93.3Very high97.3Very high114 Ų11432 Ų3261%0.6120%0.196SC*.THydrogen-bonded Turntrans-59.4132.3-179.9-175.240.4000111.9T207 P208 V213 V326T207-D211 PolarHBondContact O-N 3.08Å; P208-D211 WeakPolarHBondContact O-CB 3.47Å; P208-D211 PolarHBondContact O-N 2.67Å; D211-V213 PolarHBondContact O-N 3.35Å; D211-V326 WeakPolarHBondContact O-CG1 3.46Å
212A92.8Very high97.3Very high93 Ų9332 Ų3277%0.76920%0.196SC*.THydrogen-bonded Turntrans52.514.1-175.600000115.7L210L210-A212 PolarHBondContact O-N 2.66Å
213V95.6Very high97.3Very high14 Ų1431.9 Ų31.99%0.08520%0.196CC..THydrogen-bonded Turntrans-72.5-51.1177.4175.60000109.4L210 D211 V326 L327 L329 R335L210-V213 WeakPolarHBondContact O-CB 3.49Å; L210-V213 WeakPolarHBondContact O-CG2 3.12Å; L210-V213 PolarHBondContact O-N 2.74Å; L210-V213 VanDerWaalsContact O-N 3.13Å; D211-V213 PolarHBondContact O-N 3.35Å; V213-V326 HydrophobicContact CG2-CG1 3.77Å; V213-L327 VanDerWaalsContact CG2-O 3.27Å; V213-L327 WeakPolarHBondContact CG2-O 3.37Å; V213-L329 HydrophobicContact CG1-CB 4.23Å; V213-L329 HydrophobicContact CG1-CD1 3.64Å; V213-L329 HydrophobicContact CG1-CG 4Å; V213-R335 PolarHBondContact O-NH1 3.03Å; V213-R335 PolarHBondContact O-NH2 2.78Å
214F97.7Very high97.4Very high18 Ų1830.7 Ų30.78%0.07919%0.19CC..SBendtrans-88.4143.3-174.7-57-66.1000113.5L205 L210 E218 I219 L329 R335 V338 L339 M342L205-F214 HydrophobicContact CD2-CD2 3.99Å; L205-F214 HydrophobicContact CD2-CE2 4.42Å; L210-F214 HydrophobicContact CB-CE2 4.16Å; L210-F214 HydrophobicContact CD1-CE2 4.14Å; L210-F214 HydrophobicContact CD2-CE2 4.32Å; L210-F214 HydrophobicContact CG-CE2 4.44Å; F214-E218 HydrophobicContact CB-CB 4.17Å; F214-E218 HydrophobicContact CD1-CB 4.46Å; F214-I219 HydrophobicContact CB-CD1 4.45Å; F214-I219 HydrophobicContact CB-CG1 3.97Å; F214-L329 HydrophobicContact CE1-CD1 4.19Å; F214-L329 HydrophobicContact CZ-CD1 4.25Å; F214-R335 HydrophobicContact CE1-CB 4.49Å; F214-V338 HydrophobicContact CZ-CB 4.14Å; F214-V338 HydrophobicContact CZ-CG1 3.76Å; F214-L339 HydrophobicContact CD1-CD1 4.06Å; F214-L339 HydrophobicContact CD1-CD2 3.82Å; F214-L339 HydrophobicContact CD1-CG 4.02Å; F214-L339 HydrophobicContact CD2-CD2 4.29Å; F214-L339 HydrophobicContact CE1-CD1 4.07Å; F214-L339 HydrophobicContact CE1-CD2 3.66Å; F214-L339 HydrophobicContact CE1-CG 3.63Å; F214-L339 HydrophobicContact CE2-CD2 4.13Å; F214-L339 HydrophobicContact CG-CD2 4.14Å; F214-L339 HydrophobicContact CZ-CD2 3.83Å; F214-L339 HydrophobicContact CZ-CG 4.11Å; F214-M342 HydrophobicContact CE2-CE 3.99Å
215T98Very high97.4Very high72 Ų7230.6 Ų30.644%0.44219%0.189SC..  trans-75158.8170.465.90000110.6L217 E218 I219T215-L217 PolarHBondContact O-N 2.85Å; T215-E218 VanDerWaalsContact CB-OE2 3.28Å; T215-E218 WeakPolarHBondContact CB-OE2 3.35Å; T215-E218 WeakPolarHBondContact CG2-OE2 3.39Å; T215-E218 PolarHBondContact N-OE2 3.36Å; T215-E218 PolarHBondContact O-N 2.76Å; T215-E218 PolarHBondContact OG1-N 3.27Å; T215-E218 PolarHBondContact OG1-OE2 2.87Å; T215-I219 WeakPolarHBondContact O-CG1 3.39Å; T215-I219 PolarHBondContact O-N 2.98Å
216D98.4Very high97.4Very high84 Ų8430 Ų3045%0.44919%0.186SC..Hα-helixtrans-54.1-31.5174.5-61.6-33.4000112.7T163 F164 L220T163-D216 HydrophobicContact CG2-CB 4.06Å; F164-D216 HydrophobicContact CE2-CB 3.95Å; F164-D216 WeakPolarHBondContact CE2-O 3.37Å; F164-D216 VanDerWaalsContact CZ-C 3.47Å; F164-D216 HydrophobicContact CZ-CB 3.64Å; F164-D216 WeakPolarHBondContact CZ-O 3.38Å; D216-L220 VanDerWaalsContact O-CB 3.27Å; D216-L220 WeakPolarHBondContact O-CB 3.48Å; D216-L220 PolarHBondContact O-N 3.47Å
217L98.6Very high97.5Very high24 Ų2426.8 Ų26.813%0.12616%0.164CC..Hα-helixtrans-73.7-36.2-179.1-169.971.7000111.7F164 T215 A221 L281 Q285 L289 M292F164-L217 HydrophobicContact CE1-CD1 3.98Å; F164-L217 HydrophobicContact CZ-CB 4.35Å; F164-L217 HydrophobicContact CZ-CD1 4.28Å; T215-L217 PolarHBondContact O-N 2.85Å; L217-A221 VanDerWaalsContact O-CB 3.29Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.35Å; L217-L281 HydrophobicContact CD1-CD1 4.33Å; L217-Q285 HydrophobicContact CD1-CB 4.17Å; L217-Q285 HydrophobicContact CD1-CG 4.47Å; L217-Q285 HydrophobicContact CD2-CB 4.16Å; L217-Q285 HydrophobicContact CD2-CG 4.15Å; L217-L289 HydrophobicContact CD1-CB 4.16Å; L217-L289 HydrophobicContact CD1-CD1 4.04Å; L217-L289 HydrophobicContact CG-CB 4.45Å; L217-M292 HydrophobicContact CD2-CE 4.23Å; L217-M292 HydrophobicContact CG-CE 4.07Å
218E98.8Very high97.6Very high13 Ų1326.1 Ų26.16%0.06116%0.159CC..Hα-helixtrans-70.2-42.3174.1-76.8153.414600110.9F214 T215 L220 A221 A222 M292 R335 L339F214-E218 HydrophobicContact CB-CB 4.17Å; F214-E218 HydrophobicContact CD1-CB 4.46Å; T215-E218 VanDerWaalsContact CB-OE2 3.28Å; T215-E218 WeakPolarHBondContact CB-OE2 3.35Å; T215-E218 WeakPolarHBondContact CG2-OE2 3.39Å; T215-E218 PolarHBondContact N-OE2 3.36Å; T215-E218 PolarHBondContact O-N 2.76Å; T215-E218 PolarHBondContact OG1-N 3.27Å; T215-E218 PolarHBondContact OG1-OE2 2.87Å; E218-L220 PolarHBondContact O-N 2.89Å; E218-A221 PolarHBondContact O-N 3.45Å; E218-A222 WeakPolarHBondContact O-CB 3.41Å; E218-A222 PolarHBondContact O-N 2.78Å; E218-M292 HydrophobicContact CB-SD 4.4Å; E218-M292 HydrophobicContact CG-CE 4.03Å; E218-M292 HydrophobicContact CG-SD 3.42Å; E218-M292 WeakPolarHBondContact CG-SD 3.49Å; E218-R335 VanDerWaalsContact CD-NH2 3.32Å; E218-R335 IonicContact OE1-CZ 2.66Å; E218-R335 IonicContact OE1-NE 3.23Å; E218-R335 PolarHBondContact OE1-NE 3.4Å; E218-R335 IonicContact OE1-NH2 3.83Å; E218-R335 PolarHBondContact OE1-NH2 2.81Å; E218-R335 IonicContact OE2-CZ 3.55Å; E218-R335 IonicContact OE2-NE 2.73Å; E218-R335 IonicContact OE2-NH2 3.53Å; E218-R335 PolarHBondContact OE2-NH2 3.5Å; E218-L339 HydrophobicContact CB-CD1 3.91Å; E218-L339 HydrophobicContact CG-CD1 4.04Å
219I98.8Very high97.7Very high23 Ų2322.2 Ų22.212%0.11813%0.134CC..Hα-helixtrans-58.7-48.5173.4-68.9169.8000110.4L160 L205 F214 T215 A221 A222 I223L160-I219 HydrophobicContact CD2-CG2 4.29Å; L205-I219 HydrophobicContact CD1-CG2 4.24Å; L205-I219 HydrophobicContact CD2-CG1 4.34Å; F214-I219 HydrophobicContact CB-CD1 4.45Å; F214-I219 HydrophobicContact CB-CG1 3.97Å; T215-I219 WeakPolarHBondContact O-CG1 3.39Å; T215-I219 PolarHBondContact O-N 2.98Å; I219-A221 VanDerWaalsContact C-N 3.31Å; I219-A221 PolarHBondContact O-N 3.44Å; I219-A222 PolarHBondContact O-N 3.15Å; I219-I223 HydrophobicContact CG2-CD1 3.83Å; I219-I223 WeakPolarHBondContact O-CG1 3.29Å; I219-I223 PolarHBondContact O-N 3.32Å; I219-I223 VanDerWaalsContact O-N 3.13Å
220L98.9Very high97.9Very high0 Ų022.3 Ų22.30%013%0.134CC..Hα-helixtrans-58.2-44.3174.9174.864.5000111.4F155 F164 D216 E218 F224 F278 L289F155-L220 HydrophobicContact CE1-CD1 3.57Å; F155-L220 HydrophobicContact CZ-CD1 3.48Å; F155-L220 VanDerWaalsContact CZ-CD1 3.48Å; F164-L220 HydrophobicContact CD1-CD2 4.26Å; F164-L220 HydrophobicContact CD2-CB 4.36Å; F164-L220 HydrophobicContact CD2-CD2 3.63Å; F164-L220 HydrophobicContact CD2-CG 4.39Å; F164-L220 HydrophobicContact CE1-CD2 4.31Å; F164-L220 HydrophobicContact CE2-CB 3.76Å; F164-L220 HydrophobicContact CE2-CD2 3.71Å; F164-L220 HydrophobicContact CE2-CG 4.25Å; F164-L220 HydrophobicContact CG-CD2 3.9Å; F164-L220 HydrophobicContact CZ-CB 4.24Å; F164-L220 HydrophobicContact CZ-CD2 4.04Å; D216-L220 VanDerWaalsContact O-CB 3.27Å; D216-L220 WeakPolarHBondContact O-CB 3.48Å; D216-L220 PolarHBondContact O-N 3.47Å; E218-L220 PolarHBondContact O-N 2.89Å; L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 PolarHBondContact O-N 3.01Å; L220-F278 HydrophobicContact CD1-CE1 4.3Å; L220-F278 HydrophobicContact CD2-CD1 4.34Å; L220-F278 HydrophobicContact CD2-CE1 3.95Å; L220-F278 HydrophobicContact CG-CE1 4.27Å; L220-L289 HydrophobicContact CD2-CD1 3.49Å; L220-L289 VanDerWaalsContact CD2-CD1 3.49Å; L220-L289 HydrophobicContact CG-CD1 3.8Å
221A98.9Very high98Very high0 Ų022.2 Ų22.20%013%0.133CC..Hα-helixtrans-64.8-43-179.400000112.1L217 E218 I219 F224 A225 L289 M292 V293 M296L217-A221 VanDerWaalsContact O-CB 3.29Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.35Å; E218-A221 PolarHBondContact O-N 3.45Å; I219-A221 VanDerWaalsContact C-N 3.31Å; I219-A221 PolarHBondContact O-N 3.44Å; A221-F224 PolarHBondContact O-N 3.07Å; A221-A225 VanDerWaalsContact O-CB 3.25Å; A221-A225 WeakPolarHBondContact O-CB 3.28Å; A221-A225 PolarHBondContact O-N 3.41Å; A221-L289 HydrophobicContact CB-CG 4.2Å; A221-M292 HydrophobicContact CB-CB 4.02Å; A221-M292 HydrophobicContact CB-CE 3.83Å; A221-V293 HydrophobicContact CB-CG2 3.96Å; A221-M296 VanDerWaalsContact C-CE 3.44Å; A221-M296 HydrophobicContact CB-CE 3.77Å; A221-M296 WeakPolarHBondContact O-CE 3.39Å
222A98.9Very high98.3Very high0 Ų017.8 Ų17.80%011%0.109CC..Hα-helixtrans-67.1-46.7-178.300000112.1T201 L205 E218 I219 F224 A225 A226 M296 L339T201-A222 HydrophobicContact CG2-CB 4.18Å; L205-A222 HydrophobicContact CD1-CB 4.19Å; L205-A222 HydrophobicContact CD2-CB 4.49Å; E218-A222 WeakPolarHBondContact O-CB 3.41Å; E218-A222 PolarHBondContact O-N 2.78Å; I219-A222 PolarHBondContact O-N 3.15Å; A222-F224 VanDerWaalsContact C-N 3.32Å; A222-F224 PolarHBondContact O-N 2.73Å; A222-A225 PolarHBondContact O-N 3.09Å; A222-A226 WeakPolarHBondContact O-CB 3.32Å; A222-A226 PolarHBondContact O-N 3.31Å; A222-M296 HydrophobicContact CB-CE 4.33Å; A222-M296 HydrophobicContact CB-SD 3.9Å; A222-L339 HydrophobicContact CB-CD2 4.15Å
223I98.9Very high98.6Very high0 Ų013.9 Ų13.90%08%0.075CC..Hα-helixtrans-64.6-39.8176.7-65.9160.2000110.7M151 I154 F155 L160 L205 I219 A227M151-I223 HydrophobicContact CE-CG2 3.85Å; M151-I223 HydrophobicContact SD-CG2 3.55Å; M151-I223 VanDerWaalsContact SD-CG2 3.55Å; I154-I223 HydrophobicContact CG2-CD1 3.68Å; I154-I223 HydrophobicContact CG2-CG1 4.36Å; I154-I223 HydrophobicContact CG2-CG2 3.99Å; F155-I223 HydrophobicContact CD2-CG2 4.5Å; F155-I223 HydrophobicContact CE2-CG2 3.85Å; L160-I223 HydrophobicContact CD1-CD1 4.09Å; L205-I223 HydrophobicContact CD1-CD1 3.97Å; L205-I223 HydrophobicContact CD1-CG1 3.76Å; I219-I223 HydrophobicContact CG2-CD1 3.83Å; I219-I223 WeakPolarHBondContact O-CG1 3.29Å; I219-I223 PolarHBondContact O-N 3.32Å; I219-I223 VanDerWaalsContact O-N 3.13Å; I223-A227 PolarHBondContact O-N 2.92Å; I223-A227 VanDerWaalsContact O-N 3.09Å
224F98.9Very high98.7Very high1 Ų114.5 Ų14.50%0.0048%0.08CC..Hα-helixtrans-66.2-42175.6-178.7-99.6000112.4Y174 L220 A221 A222 A227 I228 F267 I277 F278 V293Y174-F224 HydrophobicContact CE1-CD2 4.42Å; Y174-F224 AromaticContact CE1-CE2 3.57Å; Y174-F224 HydrophobicContact CE1-CE2 3.57Å; Y174-F224 HydrophobicContact CE1-CZ 4.4Å; Y174-F224 AromaticContact CZ-CE2 3.57Å; Y174-F224 AromaticContact CZ-CZ 3.95Å; Y174-F224 WeakPolarHBondContact OH-CE2 3.42Å; Y174-F224 WeakPolarHBondContact OH-CZ 3.44Å; L220-F224 WeakPolarHBondContact O-CB 3.42Å; L220-F224 PolarHBondContact O-N 3.01Å; A221-F224 PolarHBondContact O-N 3.07Å; A222-F224 VanDerWaalsContact C-N 3.32Å; A222-F224 PolarHBondContact O-N 2.73Å; F224-A227 PolarHBondContact O-N 2.99Å; F224-I228 HydrophobicContact CD1-CD1 4.26Å; F224-I228 HydrophobicContact CD2-CG2 4.5Å; F224-I228 HydrophobicContact CE1-CD1 3.74Å; F224-I228 HydrophobicContact CE1-CG1 4.44Å; F224-I228 HydrophobicContact CE1-CG2 4.21Å; F224-I228 HydrophobicContact CE2-CG2 4.11Å; F224-I228 HydrophobicContact CZ-CD1 4.35Å; F224-I228 HydrophobicContact CZ-CG2 3.96Å; F224-I228 WeakPolarHBondContact O-CG1 3.35Å; F224-I228 PolarHBondContact O-N 3.37Å; F224-F267 HydrophobicContact CE1-CE1 4.34Å; F224-F267 HydrophobicContact CE1-CZ 4.25Å; F224-I277 HydrophobicContact CD2-CD1 3.98Å; F224-I277 HydrophobicContact CE2-CD1 3.84Å; F224-F278 HydrophobicContact CB-CZ 4.5Å; F224-F278 HydrophobicContact CD1-CE2 4.32Å; F224-F278 HydrophobicContact CD1-CZ 4.04Å; F224-F278 HydrophobicContact CD2-CE2 4.3Å; F224-F278 AromaticContact CD2-CZ 3.66Å; F224-F278 HydrophobicContact CD2-CZ 3.66Å; F224-F278 AromaticContact CE1-CE2 3.95Å; F224-F278 HydrophobicContact CE1-CE2 3.95Å; F224-F278 HydrophobicContact CE1-CZ 4.11Å; F224-F278 AromaticContact CE2-CE2 3.92Å; F224-F278 HydrophobicContact CE2-CE2 3.92Å; F224-F278 AromaticContact CE2-CZ 3.72Å; F224-F278 HydrophobicContact CE2-CZ 3.72Å; F224-F278 HydrophobicContact CG-CE2 4.47Å; F224-F278 AromaticContact CG-CZ 3.8Å; F224-F278 HydrophobicContact CG-CZ 3.8Å; F224-F278 AromaticContact CZ-CE2 3.74Å; F224-F278 HydrophobicContact CZ-CE2 3.74Å; F224-F278 AromaticContact CZ-CZ 3.95Å; F224-F278 HydrophobicContact CZ-CZ 3.95Å; F224-V293 HydrophobicContact CD1-CG1 3.92Å; F224-V293 HydrophobicContact CD1-CG2 3.77Å; F224-V293 HydrophobicContact CE1-CG1 4.12Å; F224-V293 HydrophobicContact CE1-CG2 4.49Å
225A98.9Very high98.7Very high0 Ų013.9 Ų13.90%08%0.078CC..Hα-helixtrans-59.2-50.2176.100000110.8A221 A222 A227 I228 H229 V293 M296 V297A221-A225 VanDerWaalsContact O-CB 3.25Å; A221-A225 WeakPolarHBondContact O-CB 3.28Å; A221-A225 PolarHBondContact O-N 3.41Å; A222-A225 PolarHBondContact O-N 3.09Å; A225-A227 VanDerWaalsContact C-N 3.29Å; A225-A227 PolarHBondContact O-N 3.41Å; A225-I228 PolarHBondContact O-N 2.98Å; A225-I228 VanDerWaalsContact O-N 3.13Å; A225-H229 WeakPolarHBondContact O-CB 3.35Å; A225-H229 PolarHBondContact O-N 2.88Å; A225-V293 HydrophobicContact CB-CG1 4.19Å; A225-V293 HydrophobicContact CB-CG2 4.5Å; A225-M296 HydrophobicContact CB-CB 3.86Å; A225-M296 HydrophobicContact CB-CE 3.95Å; A225-M296 HydrophobicContact CB-SD 4.29Å; A225-V297 HydrophobicContact CB-CG2 3.99Å
226A98.9Very high98.7Very high0 Ų010.6 Ų10.60%06%0.058CC..Hα-helixtrans-55.8-41.1175.600000112.7V197 A198 T201 A222 I228 H229V197-A226 HydrophobicContact CG1-CB 4.01Å; A198-A226 HydrophobicContact CB-CB 4.23Å; T201-A226 HydrophobicContact CG2-CB 4.45Å; A222-A226 WeakPolarHBondContact O-CB 3.32Å; A222-A226 PolarHBondContact O-N 3.31Å; A226-I228 VanDerWaalsContact C-N 3.34Å; A226-I228 PolarHBondContact O-N 3.37Å; A226-H229 PolarHBondContact O-ND1 3.43Å
227A98.9Very high98.7Very high0 Ų08.8 Ų8.80%05%0.052CC..Hα-helixtrans-67.9-29.7179.500000114.2L147 M151 L178 Y182 I223 F224 A225L147-A227 HydrophobicContact CD1-CB 4.12Å; M151-A227 HydrophobicContact CE-CB 3.52Å; M151-A227 HydrophobicContact CG-CB 4.28Å; M151-A227 HydrophobicContact SD-CB 3.78Å; L178-A227 HydrophobicContact CD2-CB 4.3Å; Y182-A227 PolarHBondContact OH-O 2.98Å; I223-A227 PolarHBondContact O-N 2.92Å; I223-A227 VanDerWaalsContact O-N 3.09Å; F224-A227 PolarHBondContact O-N 2.99Å; A225-A227 VanDerWaalsContact C-N 3.29Å; A225-A227 PolarHBondContact O-N 3.41Å
228I98.9Very high98.7Very high0 Ų09 Ų90%05%0.053CC..Hα-helixtrans-102.1-6.2-177.172.3164.3000113.8L178 F224 A225 A226 D230 V231 L263 V293 V297L178-I228 HydrophobicContact CD1-CB 4.45Å; L178-I228 HydrophobicContact CD1-CG2 3.85Å; L178-I228 HydrophobicContact CD2-CG2 3.87Å; F224-I228 HydrophobicContact CD1-CD1 4.26Å; F224-I228 HydrophobicContact CD2-CG2 4.5Å; F224-I228 HydrophobicContact CE1-CD1 3.74Å; F224-I228 HydrophobicContact CE1-CG1 4.44Å; F224-I228 HydrophobicContact CE1-CG2 4.21Å; F224-I228 HydrophobicContact CE2-CG2 4.11Å; F224-I228 HydrophobicContact CZ-CD1 4.35Å; F224-I228 HydrophobicContact CZ-CG2 3.96Å; F224-I228 WeakPolarHBondContact O-CG1 3.35Å; F224-I228 PolarHBondContact O-N 3.37Å; A225-I228 PolarHBondContact O-N 2.98Å; A225-I228 VanDerWaalsContact O-N 3.13Å; A226-I228 VanDerWaalsContact C-N 3.34Å; A226-I228 PolarHBondContact O-N 3.37Å; I228-D230 PolarHBondContact O-N 3.24Å; I228-V231 HydrophobicContact CB-CG1 4.43Å; I228-V231 WeakPolarHBondContact O-CG1 3.39Å; I228-V231 PolarHBondContact O-N 3.21Å; I228-V231 VanDerWaalsContact O-N 3.13Å; I228-L263 HydrophobicContact CD1-CD2 4.31Å; I228-V293 HydrophobicContact CD1-CG1 3.83Å; I228-V297 HydrophobicContact CD1-CG2 4.41Å; I228-V297 HydrophobicContact CG1-CG2 4.14Å
229H98.9Very high98.6Very high0 Ų013.3 Ų13.30%07%0.073CC..THydrogen-bonded Turntrans-59.1-25.7-162.879.6-71.3000114.4H193 A225 A226 H262 V297 T300 D347H193-H229 AromaticContact CD2-CE1 3.83Å; H193-H229 AromaticContact CD2-NE2 3.78Å; H193-H229 AromaticContact NE2-CE1 3.7Å; H193-H229 AromaticContact NE2-NE2 3.32Å; H193-H229 PolarHBondContact NE2-NE2 3.43Å; A225-H229 WeakPolarHBondContact O-CB 3.35Å; A225-H229 PolarHBondContact O-N 2.88Å; A226-H229 PolarHBondContact O-ND1 3.43Å; H229-H262 WeakPolarHBondContact O-CB 3.37Å; H229-H262 PolarHBondContact O-CD2 3.11Å; H229-V297 HydrophobicContact CB-CG1 4.34Å; H229-V297 HydrophobicContact CB-CG2 4.36Å; H229-T300 HydrophobicContact CB-CG2 4.38Å; H229-D347 IonicContact NE2-OD1 3.14Å; H229-D347 PolarHBondContact NE2-OD1 3.33Å
230D98.9Very high98.6Very high10 Ų1012.4 Ų12.45%0.0537%0.069CC..THydrogen-bonded Turntrans-123.216.1-178.9-80.4-24.9000113.8Y182 H189 H193 I228 D232 H233 H262Y182-D230 HydrophobicContact CE1-CB 3.75Å; Y182-D230 WeakPolarHBondContact CE1-O 3.38Å; Y182-D230 PolarHBondContact OH-N 3.04Å; H189-D230 IonicContact CD2-OD2 3.35Å; H189-D230 PolarHBondContact CD2-OD2 2.66Å; H189-D230 VanDerWaalsContact CD2-OD2 3.31Å; H193-D230 IonicContact CD2-OD2 3.38Å; H193-D230 PolarHBondContact CD2-OD2 3.17Å; H193-D230 IonicContact NE2-OD2 2.84Å; H193-D230 PolarHBondContact NE2-OD2 3.04Å; I228-D230 PolarHBondContact O-N 3.24Å; D230-D232 PolarHBondContact O-N 3.35Å; D230-H233 HydrophobicContact CB-CB 4.46Å; D230-H233 VanDerWaalsContact O-CB 3.24Å; D230-H233 WeakPolarHBondContact O-CB 3.42Å; D230-H233 PolarHBondContact O-N 2.81Å; D230-H233 VanDerWaalsContact O-N 3.1Å; D230-H262 IonicContact OD1-CD2 2.94Å; D230-H262 IonicContact OD1-NE2 3.24Å
231V98.8Very high98.5Very high0 Ų013 Ų130%07%0.072CC..THydrogen-bonded Turntrans-61133.1-175.565.70000111.1L178 H181 Y182 I228 H233 H262 V265L178-V231 HydrophobicContact CD1-CB 3.94Å; L178-V231 HydrophobicContact CD1-CG1 4.34Å; L178-V231 HydrophobicContact CD1-CG2 3.62Å; H181-V231 HydrophobicContact CB-CG2 3.61Å; Y182-V231 HydrophobicContact CD2-CB 4.41Å; Y182-V231 HydrophobicContact CD2-CG2 4.24Å; Y182-V231 HydrophobicContact CE2-CB 3.86Å; Y182-V231 HydrophobicContact CE2-CG2 4.11Å; Y182-V231 PolarHBondContact OH-N 3.39Å; I228-V231 HydrophobicContact CB-CG1 4.43Å; I228-V231 WeakPolarHBondContact O-CG1 3.39Å; I228-V231 PolarHBondContact O-N 3.21Å; I228-V231 VanDerWaalsContact O-N 3.13Å; V231-H233 VanDerWaalsContact C-N 3.3Å; V231-H262 HydrophobicContact CG1-CB 4.34Å; V231-H262 VanDerWaalsContact CG1-O 3.27Å; V231-H262 WeakPolarHBondContact CG1-O 3.31Å; V231-H262 PolarHBondContact O-ND1 2.95Å; V231-V265 HydrophobicContact CG1-CB 3.93Å; V231-V265 HydrophobicContact CG1-CG1 3.86Å; V231-V265 HydrophobicContact CG2-CG1 3.88Å
232D98.5Very high98.5Very high21 Ų2114.8 Ų14.811%0.1128%0.081CC..THydrogen-bonded Turntrans66.625.4-176.7-155.745.1000114.2H181 H183 D230 H261 V265H181-D232 VanDerWaalsContact O-CA 3.25Å; H181-D232 WeakPolarHBondContact O-CA 3.24Å; H181-D232 PolarHBondContact O-N 3.04Å; H181-D232 VanDerWaalsContact O-N 3.08Å; H183-D232 IonicContact CD2-OD1 3.44Å; H183-D232 IonicContact CE1-OD1 2.76Å; H183-D232 IonicContact NE2-OD1 3.35Å; H183-D232 PolarHBondContact NE2-OD1 3.18Å; D230-D232 PolarHBondContact O-N 3.35Å; D232-H261 IonicContact OD2-CD2 3.51Å; D232-H261 IonicContact OD2-CE1 3.09Å; D232-H261 PolarHBondContact OD2-CE1 3.12Å; D232-H261 IonicContact OD2-NE2 2.73Å; D232-H261 PolarHBondContact OD2-NE2 3.47Å; D232-V265 HydrophobicContact CB-CG1 4.35Å; D232-V265 HydrophobicContact CB-CG2 4.2Å
233H98.6Very high98.4Very high11 Ų1118.8 Ų18.85%0.05110%0.102CC..  trans-63.7126.5173.3-168.7-84.2000112.1H189 D230 V231 G235 H262 E368H189-H233 HydrophobicContact CB-CB 3.88Å; H189-H233 WeakPolarHBondContact CB-ND1 3.2Å; H189-H233 AromaticContact CG-CE1 3.69Å; H189-H233 AromaticContact CG-ND1 3.69Å; H189-H233 AromaticContact ND1-CE1 3.44Å; H189-H233 PolarHBondContact ND1-CE1 2.93Å; H189-H233 AromaticContact ND1-ND1 3.78Å; H189-H233 AromaticContact ND1-NE2 3.98Å; D230-H233 HydrophobicContact CB-CB 4.46Å; D230-H233 VanDerWaalsContact O-CB 3.24Å; D230-H233 WeakPolarHBondContact O-CB 3.42Å; D230-H233 PolarHBondContact O-N 2.81Å; D230-H233 VanDerWaalsContact O-N 3.1Å; V231-H233 VanDerWaalsContact C-N 3.3Å; H233-G235 VanDerWaalsContact C-N 3.29Å; H233-G235 PolarHBondContact ND1-N 3.11Å; H233-G235 PolarHBondContact O-N 3.1Å; H233-H262 AromaticContact CD2-CE1 3.91Å; H233-H262 AromaticContact CD2-NE2 3.73Å; H233-E368 IonicContact CE1-OE1 3.31Å; H233-E368 IonicContact ND1-OE1 3.78Å
234P98.1Very high98.3Very high28 Ų2820.3 Ų20.318%0.18211%0.112CC..  trans-84.55.3-172.633.6-36.4000115.1V236 L241 L258 R375P234-V236 HydrophobicContact CB-CG2 4.16Å; P234-V236 HydrophobicContact CG-CG2 3.72Å; P234-L241 HydrophobicContact CG-CD2 4.45Å; P234-L258 VanDerWaalsContact CD-CD2 3.43Å; P234-L258 HydrophobicContact CG-CD2 3.95Å; P234-R375 PolarHBondContact O-NH1 3.24Å
235G98.1Very high98.2Very high4 Ų426 Ų264%0.04114%0.142CC..SBendtrans73.128.4-177.700000114.2H233 E368H233-G235 VanDerWaalsContact C-N 3.29Å; H233-G235 PolarHBondContact ND1-N 3.11Å; H233-G235 PolarHBondContact O-N 3.1Å; G235-E368 VanDerWaalsContact CA-OE1 3.29Å; G235-E368 WeakPolarHBondContact CA-OE1 3.48Å
236V98.3Very high98.1Very high4 Ų427.1 Ų27.12%0.02415%0.15CC..SBendtrans-146.5151.8178.8-66.20000110P234 F240 L241 L258 Q372P234-V236 HydrophobicContact CB-CG2 4.16Å; P234-V236 HydrophobicContact CG-CG2 3.72Å; V236-F240 HydrophobicContact CB-CB 4.15Å; V236-F240 HydrophobicContact CB-CD1 3.61Å; V236-F240 HydrophobicContact CB-CE1 4.21Å; V236-F240 HydrophobicContact CB-CG 3.95Å; V236-F240 HydrophobicContact CG1-CD1 3.87Å; V236-F240 HydrophobicContact CG1-CE1 3.99Å; V236-F240 HydrophobicContact CG1-CG 4.25Å; V236-F240 HydrophobicContact CG1-CZ 4.47Å; V236-F240 HydrophobicContact CG2-CD1 3.59Å; V236-F240 HydrophobicContact CG2-CE1 4.08Å; V236-F240 HydrophobicContact CG2-CG 4.39Å; V236-L241 HydrophobicContact CG2-CD2 3.84Å; V236-L241 HydrophobicContact CG2-CG 4.21Å; V236-L258 WeakPolarHBondContact O-CD1 3.47Å; V236-Q372 VanDerWaalsContact CA-OE1 3.28Å; V236-Q372 HydrophobicContact CB-CG 4.34Å; V236-Q372 HydrophobicContact CG1-CB 4.15Å; V236-Q372 HydrophobicContact CG1-CG 3.95Å
237S98.3Very high97.9Very high45 Ų4534 Ų3432%0.31518%0.182SC..  trans-73162.3-175.873.90000114.4Q239 F240 L241S237-Q239 PolarHBondContact O-N 3.48Å; S237-Q239 PolarHBondContact OG-N 2.97Å; S237-F240 WeakPolarHBondContact O-CB 3.33Å; S237-F240 PolarHBondContact O-N 3.12Å; S237-F240 VanDerWaalsContact O-N 3.12Å; S237-F240 PolarHBondContact OG-N 3.03Å; S237-L241 PolarHBondContact O-N 2.96Å; S237-L241 VanDerWaalsContact O-N 3.11Å
238N97.8Very high97.8Very high28 Ų2835.5 Ų35.515%0.1519%0.19CC..Hα-helixtrans-49.7-45.4168.8-81.3-30.2000111.5F240 L241 I242 V257 L258 E259N238-F240 PolarHBondContact O-N 3Å; N238-L241 WeakPolarHBondContact O-CB 3.45Å; N238-L241 PolarHBondContact O-N 3Å; N238-L241 VanDerWaalsContact O-N 3.14Å; N238-I242 VanDerWaalsContact O-CG1 3.28Å; N238-I242 WeakPolarHBondContact O-CG1 3.39Å; N238-I242 PolarHBondContact O-N 2.91Å; N238-V257 WeakPolarHBondContact OD1-CB 3.39Å; N238-V257 PolarHBondContact OD1-N 3.35Å; N238-L258 VanDerWaalsContact OD1-CB 3.26Å; N238-L258 WeakPolarHBondContact OD1-CB 3.34Å; N238-L258 WeakPolarHBondContact OD1-CD1 3.29Å; N238-L258 WeakPolarHBondContact OD1-CG 3.41Å; N238-L258 PolarHBondContact OD1-N 2.99Å; N238-E259 PolarHBondContact ND2-OE1 2.77Å; N238-E259 PolarHBondContact ND2-OE2 3.15Å
239Q97.9Very high97.7Very high104 Ų10435.5 Ų35.549%0.48619%0.19SC..Hα-helixtrans-63.7-38.6-179.4-167.162.352.600112.7S237 L241 I242 N243S237-Q239 PolarHBondContact O-N 3.48Å; S237-Q239 PolarHBondContact OG-N 2.97Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; Q239-I242 PolarHBondContact O-N 2.66Å; Q239-N243 PolarHBondContact NE2-OD1 3.24Å; Q239-N243 VanDerWaalsContact O-CB 3.32Å; Q239-N243 WeakPolarHBondContact O-CB 3.47Å; Q239-N243 PolarHBondContact O-N 3.46Å; Q239-N243 PolarHBondContact O-ND2 3.16Å; Q239-N243 PolarHBondContact O-OD1 3.42Å
240F98.1Very high97.5Very high5 Ų540.8 Ų40.82%0.02222%0.218CC..Hα-helixtrans-62.9-42.7174.4178-85.2000111.3V236 S237 N238 I242 N243 T244 Q372 R375 E376 M381V236-F240 HydrophobicContact CB-CB 4.15Å; V236-F240 HydrophobicContact CB-CD1 3.61Å; V236-F240 HydrophobicContact CB-CE1 4.21Å; V236-F240 HydrophobicContact CB-CG 3.95Å; V236-F240 HydrophobicContact CG1-CD1 3.87Å; V236-F240 HydrophobicContact CG1-CE1 3.99Å; V236-F240 HydrophobicContact CG1-CG 4.25Å; V236-F240 HydrophobicContact CG1-CZ 4.47Å; V236-F240 HydrophobicContact CG2-CD1 3.59Å; V236-F240 HydrophobicContact CG2-CE1 4.08Å; V236-F240 HydrophobicContact CG2-CG 4.39Å; S237-F240 WeakPolarHBondContact O-CB 3.33Å; S237-F240 PolarHBondContact O-N 3.12Å; S237-F240 VanDerWaalsContact O-N 3.12Å; S237-F240 PolarHBondContact OG-N 3.03Å; N238-F240 PolarHBondContact O-N 3Å; F240-I242 VanDerWaalsContact C-N 3.33Å; F240-I242 PolarHBondContact O-N 2.76Å; F240-N243 PolarHBondContact O-N 3.23Å; F240-T244 HydrophobicContact CD1-CG2 4.3Å; F240-T244 HydrophobicContact CD2-CG2 4.45Å; F240-T244 HydrophobicContact CE1-CG2 4Å; F240-T244 HydrophobicContact CE2-CG2 4.16Å; F240-T244 HydrophobicContact CZ-CG2 3.93Å; F240-T244 WeakPolarHBondContact O-CB 3.29Å; F240-T244 VanDerWaalsContact O-CG2 3.23Å; F240-T244 WeakPolarHBondContact O-CG2 3.5Å; F240-T244 PolarHBondContact O-N 2.91Å; F240-T244 PolarHBondContact O-OG1 3.16Å; F240-Q372 HydrophobicContact CB-CG 4.48Å; F240-Q372 HydrophobicContact CD2-CG 3.86Å; F240-Q372 HydrophobicContact CE2-CG 4.4Å; F240-Q372 HydrophobicContact CG-CG 4.26Å; F240-R375 HydrophobicContact CE2-CB 4.22Å; F240-R375 HydrophobicContact CZ-CB 4.06Å; F240-E376 HydrophobicContact CD2-CG 3.61Å; F240-E376 HydrophobicContact CE2-CG 3.59Å; F240-M381 HydrophobicContact CE2-SD 4.44Å
241L97.9Very high97.3Very high12 Ų1244.6 Ų44.66%0.06324%0.236CC..Hα-helixtrans-62.3-39.2177.8-68.6-178.7000112.6P234 V236 S237 N238 Q239 T244 N245 S246 L248 A249 V257 L258P234-L241 HydrophobicContact CG-CD2 4.45Å; V236-L241 HydrophobicContact CG2-CD2 3.84Å; V236-L241 HydrophobicContact CG2-CG 4.21Å; S237-L241 PolarHBondContact O-N 2.96Å; S237-L241 VanDerWaalsContact O-N 3.11Å; N238-L241 WeakPolarHBondContact O-CB 3.45Å; N238-L241 PolarHBondContact O-N 3Å; N238-L241 VanDerWaalsContact O-N 3.14Å; Q239-L241 VanDerWaalsContact C-N 3.34Å; L241-T244 PolarHBondContact O-OG1 3.13Å; L241-N245 PolarHBondContact O-N 3.02Å; L241-S246 WeakPolarHBondContact CB-OG 3.32Å; L241-S246 WeakPolarHBondContact O-CB 3.09Å; L241-S246 PolarHBondContact O-N 2.98Å; L241-S246 PolarHBondContact O-OG 2.84Å; L241-L248 HydrophobicContact CD1-CB 4.49Å; L241-L248 HydrophobicContact CD1-CD1 4.24Å; L241-A249 HydrophobicContact CB-CB 4.44Å; L241-A249 WeakPolarHBondContact O-CB 3.33Å; L241-V257 HydrophobicContact CD1-CG1 4.01Å; L241-L258 HydrophobicContact CD1-CD1 4.37Å; L241-L258 HydrophobicContact CD1-CD2 3.69Å; L241-L258 HydrophobicContact CD1-CG 3.82Å
242I97.7Very high97.2Very high38 Ų3846.5 Ų46.520%0.19524%0.244CC..Hα-helixtrans-68.2-53.4176.5-64.9163000110.2N238 Q239 F240 T244 N245 A249 D254 V257N238-I242 VanDerWaalsContact O-CG1 3.28Å; N238-I242 WeakPolarHBondContact O-CG1 3.39Å; N238-I242 PolarHBondContact O-N 2.91Å; Q239-I242 PolarHBondContact O-N 2.66Å; F240-I242 VanDerWaalsContact C-N 3.33Å; F240-I242 PolarHBondContact O-N 2.76Å; I242-T244 PolarHBondContact O-N 2.98Å; I242-N245 PolarHBondContact O-N 3.24Å; I242-A249 HydrophobicContact CG1-CB 4.19Å; I242-D254 HydrophobicContact CD1-CB 3.93Å; I242-D254 HydrophobicContact CG1-CB 3.92Å; I242-D254 HydrophobicContact CG2-CB 4.38Å; I242-V257 HydrophobicContact CG1-CG2 4.43Å
243N96.9Very high97.1Very high83 Ų8351.5 Ų51.544%0.44427%0.27SS..Hα-helixtrans-59.2-26.5-178.3-70.3-7.8000112.7Q239 F240 M381Q239-N243 PolarHBondContact NE2-OD1 3.24Å; Q239-N243 VanDerWaalsContact O-CB 3.32Å; Q239-N243 WeakPolarHBondContact O-CB 3.47Å; Q239-N243 PolarHBondContact O-N 3.46Å; Q239-N243 PolarHBondContact O-ND2 3.16Å; Q239-N243 PolarHBondContact O-OD1 3.42Å; F240-N243 PolarHBondContact O-N 3.23Å; N243-M381 HydrophobicContact CB-CE 3.64Å
244T96.9Very high97Very high33 Ų3354.9 Ų54.920%0.20229%0.289CS..THydrogen-bonded Turntrans-97.14.8179.861.60000114F240 L241 I242 S246 M381F240-T244 HydrophobicContact CD1-CG2 4.3Å; F240-T244 HydrophobicContact CD2-CG2 4.45Å; F240-T244 HydrophobicContact CE1-CG2 4Å; F240-T244 HydrophobicContact CE2-CG2 4.16Å; F240-T244 HydrophobicContact CZ-CG2 3.93Å; F240-T244 WeakPolarHBondContact O-CB 3.29Å; F240-T244 VanDerWaalsContact O-CG2 3.23Å; F240-T244 WeakPolarHBondContact O-CG2 3.5Å; F240-T244 PolarHBondContact O-N 2.91Å; F240-T244 PolarHBondContact O-OG1 3.16Å; L241-T244 PolarHBondContact O-OG1 3.13Å; I242-T244 PolarHBondContact O-N 2.98Å; T244-S246 PolarHBondContact O-N 2.99Å; T244-M381 HydrophobicContact CG2-CE 3.88Å; T244-M381 HydrophobicContact CG2-SD 3.56Å; T244-M381 VanDerWaalsContact CG2-SD 3.56Å
245N96.1Very high96.9Very high121 Ų12159.4 Ų59.465%0.64731%0.308SS*.THydrogen-bonded Turntrans51.143.2-178.5-60.4-94.2000111.9L241 I242L241-N245 PolarHBondContact O-N 3.02Å; I242-N245 PolarHBondContact O-N 3.24Å
246S96.6Very high96.9Very high23 Ų2360 Ų6016%0.16131%0.311CS..  trans-62.1156.4-17969.80000111.7L241 T244 L248 A249 L250L241-S246 WeakPolarHBondContact CB-OG 3.32Å; L241-S246 WeakPolarHBondContact O-CB 3.09Å; L241-S246 PolarHBondContact O-N 2.98Å; L241-S246 PolarHBondContact O-OG 2.84Å; T244-S246 PolarHBondContact O-N 2.99Å; S246-L248 PolarHBondContact O-N 3.35Å; S246-A249 PolarHBondContact O-N 2.99Å; S246-A249 WeakPolarHBondContact OG-CB 3.48Å; S246-A249 PolarHBondContact OG-N 3.14Å; S246-A249 VanDerWaalsContact OG-N 3.15Å; S246-L250 WeakPolarHBondContact O-CG 3.47Å; S246-L250 PolarHBondContact O-N 3.36Å
247E96.5Very high96.9Very high145 Ų14559.8 Ų59.868%0.67831%0.31SS*.Hα-helixtrans-58.6-33.7176-65.4-173.8171.200112.1M251E247-M251 VanDerWaalsContact O-CB 3.24Å; E247-M251 WeakPolarHBondContact O-CB 3.31Å; E247-M251 PolarHBondContact O-N 2.93Å
248L95.9Very high96.9Very high30 Ų3057.8 Ų57.816%0.15730%0.296CS..Hα-helixtrans-66.5-47.7176.5-64.5-178.2000111.4L241 S246 L250 M251 Y252 V257L241-L248 HydrophobicContact CD1-CB 4.49Å; L241-L248 HydrophobicContact CD1-CD1 4.24Å; S246-L248 PolarHBondContact O-N 3.35Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.62Å; L248-M251 HydrophobicContact CD2-CE 3.62Å; L248-M251 PolarHBondContact O-N 2.97Å; L248-M251 VanDerWaalsContact O-N 3.13Å; L248-Y252 HydrophobicContact CD2-CE2 4.42Å; L248-Y252 WeakPolarHBondContact O-CD2 3.31Å; L248-Y252 PolarHBondContact O-N 3.31Å; L248-V257 VanDerWaalsContact C-CG1 3.49Å; L248-V257 HydrophobicContact CB-CG1 3.68Å
249A96.3Very high96.9Very high1 Ų157.2 Ų57.21%0.00829%0.292CS..Hα-helixtrans-59.6-44.4178.600000111.4L241 I242 S246 M251 Y252 N253 D254 V257L241-A249 HydrophobicContact CB-CB 4.44Å; L241-A249 WeakPolarHBondContact O-CB 3.33Å; I242-A249 HydrophobicContact CG1-CB 4.19Å; S246-A249 PolarHBondContact O-N 2.99Å; S246-A249 WeakPolarHBondContact OG-CB 3.48Å; S246-A249 PolarHBondContact OG-N 3.14Å; S246-A249 VanDerWaalsContact OG-N 3.15Å; A249-M251 PolarHBondContact O-N 3.44Å; A249-Y252 PolarHBondContact O-N 3.4Å; A249-N253 WeakPolarHBondContact O-CA 3.39Å; A249-N253 PolarHBondContact O-N 3.14Å; A249-D254 PolarHBondContact O-N 2.88Å; A249-D254 VanDerWaalsContact O-N 3.11Å; A249-V257 HydrophobicContact CB-CG1 4.49Å; A249-V257 HydrophobicContact CB-CG2 4.44Å
250L95.1Very high97Very high111 Ų11154.8 Ų54.858%0.58128%0.282SS*.Hα-helixtrans-64-37.9174.7-65.7174.6000113S246 L248S246-L250 WeakPolarHBondContact O-CG 3.47Å; S246-L250 PolarHBondContact O-N 3.36Å; L248-L250 VanDerWaalsContact C-N 3.32Å; L248-L250 PolarHBondContact O-N 2.62Å
251M95.4Very high97Very high90 Ų9054.7 Ų54.744%0.44328%0.282SS..Hα-helixtrans-69.2-37.7179.7177.7165.955.300112.3E247 L248 A249E247-M251 VanDerWaalsContact O-CB 3.24Å; E247-M251 WeakPolarHBondContact O-CB 3.31Å; E247-M251 PolarHBondContact O-N 2.93Å; L248-M251 HydrophobicContact CD2-CE 3.62Å; L248-M251 PolarHBondContact O-N 2.97Å; L248-M251 VanDerWaalsContact O-N 3.13Å; A249-M251 PolarHBondContact O-N 3.44Å
252Y96.8Very high97Very high39 Ų3954.2 Ų54.215%0.15328%0.279CS..Hα-helixtrans-100.94.9-177.2-64.1-59.8000114.2L248 A249 D254 E255 V257 N260 H261 A264L248-Y252 HydrophobicContact CD2-CE2 4.42Å; L248-Y252 WeakPolarHBondContact O-CD2 3.31Å; L248-Y252 PolarHBondContact O-N 3.31Å; A249-Y252 PolarHBondContact O-N 3.4Å; Y252-D254 VanDerWaalsContact C-N 3.3Å; Y252-D254 PolarHBondContact O-N 2.84Å; Y252-E255 PolarHBondContact O-N 3.12Å; Y252-V257 HydrophobicContact CD2-CG1 4.13Å; Y252-V257 WeakPolarHBondContact CD2-O 2.99Å; Y252-N260 HydrophobicContact CD1-CB 3.46Å; Y252-N260 VanDerWaalsContact CD1-CB 3.46Å; Y252-N260 HydrophobicContact CD2-CB 4.25Å; Y252-N260 HydrophobicContact CE1-CB 3.53Å; Y252-N260 HydrophobicContact CE2-CB 4.29Å; Y252-N260 HydrophobicContact CG-CB 3.84Å; Y252-N260 PolarHBondContact OH-O 3.32Å; Y252-H261 HydrophobicContact CE2-CB 3.69Å; Y252-H261 WeakPolarHBondContact OH-CA 3.38Å; Y252-A264 WeakPolarHBondContact OH-CB 3.48Å
253N96.8Very high97.1Very high126 Ų12652.9 Ų52.967%0.67427%0.272SS*.THydrogen-bonded Turntrans54.645.6176.3-46.1-82000112.2A249 E255A249-N253 WeakPolarHBondContact O-CA 3.39Å; A249-N253 PolarHBondContact O-N 3.14Å; N253-E255 PolarHBondContact O-N 3.35Å
254D96.5Very high97.1Very high82 Ų8250.3 Ų50.344%0.43926%0.263SS..THydrogen-bonded Turntrans61.84.2175.4-51.7-29.6000116.1I242 A249 Y252I242-D254 HydrophobicContact CD1-CB 3.93Å; I242-D254 HydrophobicContact CG1-CB 3.92Å; I242-D254 HydrophobicContact CG2-CB 4.38Å; A249-D254 PolarHBondContact O-N 2.88Å; A249-D254 VanDerWaalsContact O-N 3.11Å; Y252-D254 VanDerWaalsContact C-N 3.3Å; Y252-D254 PolarHBondContact O-N 2.84Å
255E95.5Very high97.2Very high124 Ų12448.8 Ų48.858%0.57925%0.253SS*.SBendtrans-104.3116.4-179.5-72.9-70.915200111.5Y252 N253 V257 N260Y252-E255 PolarHBondContact O-N 3.12Å; N253-E255 PolarHBondContact O-N 3.35Å; E255-V257 VanDerWaalsContact C-N 3.26Å; E255-V257 PolarHBondContact O-N 2.85Å; E255-N260 PolarHBondContact O-ND2 3.46Å; E255-N260 VanDerWaalsContact O-ND2 3.15Å
256S97.2Very high97.3Very high15 Ų1543 Ų4311%0.10522%0.223CC..SBendtrans42.653.9179.5-52.60000111.8L258 E259 N260 D301S256-L258 PolarHBondContact O-N 3.38Å; S256-E259 WeakPolarHBondContact CA-OE2 3.46Å; S256-E259 WeakPolarHBondContact CB-OE2 3.23Å; S256-E259 PolarHBondContact O-N 2.92Å; S256-N260 WeakPolarHBondContact O-CB 3.43Å; S256-N260 PolarHBondContact O-N 3.43Å; S256-N260 PolarHBondContact O-ND2 3.45Å; S256-D301 WeakPolarHBondContact CB-OD2 3.48Å; S256-D301 PolarHBondContact OG-OD2 3.33Å
257V98.5Very high97.4Very high0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-60-49.9-165.4173.80000111N238 L241 I242 L248 A249 Y252 E255 H261N238-V257 WeakPolarHBondContact OD1-CB 3.39Å; N238-V257 PolarHBondContact OD1-N 3.35Å; L241-V257 HydrophobicContact CD1-CG1 4.01Å; I242-V257 HydrophobicContact CG1-CG2 4.43Å; L248-V257 VanDerWaalsContact C-CG1 3.49Å; L248-V257 HydrophobicContact CB-CG1 3.68Å; A249-V257 HydrophobicContact CB-CG1 4.49Å; A249-V257 HydrophobicContact CB-CG2 4.44Å; Y252-V257 HydrophobicContact CD2-CG1 4.13Å; Y252-V257 WeakPolarHBondContact CD2-O 2.99Å; E255-V257 VanDerWaalsContact C-N 3.26Å; E255-V257 PolarHBondContact O-N 2.85Å; V257-H261 WeakPolarHBondContact O-CB 3.24Å; V257-H261 PolarHBondContact O-N 2.78Å
258L98.6Very high97.4Very high4 Ų439.3 Ų39.32%0.02120%0.202CC..Hα-helixtrans-68.7-45.8179.9-75.7168.6000111.5P234 V236 N238 L241 S256 N260 H261 H262P234-L258 VanDerWaalsContact CD-CD2 3.43Å; P234-L258 HydrophobicContact CG-CD2 3.95Å; V236-L258 WeakPolarHBondContact O-CD1 3.47Å; N238-L258 VanDerWaalsContact OD1-CB 3.26Å; N238-L258 WeakPolarHBondContact OD1-CB 3.34Å; N238-L258 WeakPolarHBondContact OD1-CD1 3.29Å; N238-L258 WeakPolarHBondContact OD1-CG 3.41Å; N238-L258 PolarHBondContact OD1-N 2.99Å; L241-L258 HydrophobicContact CD1-CD1 4.37Å; L241-L258 HydrophobicContact CD1-CD2 3.69Å; L241-L258 HydrophobicContact CD1-CG 3.82Å; S256-L258 PolarHBondContact O-N 3.38Å; L258-N260 VanDerWaalsContact C-N 3.32Å; L258-N260 PolarHBondContact O-N 3.09Å; L258-H261 CarbonylContact O-C 3.58Å; L258-H261 WeakPolarHBondContact O-CA 3.47Å; L258-H261 VanDerWaalsContact O-CB 3.23Å; L258-H261 WeakPolarHBondContact O-CB 3.39Å; L258-H261 PolarHBondContact O-N 2.9Å; L258-H262 PolarHBondContact O-CD2 3.19Å; L258-H262 PolarHBondContact O-N 3.29Å; L258-H262 PolarHBondContact O-NE2 2.84Å
259E98.8Very high97.5Very high16 Ų1638 Ų388%0.07519%0.194CC..Hα-helixtrans-65.7-37.7-175.2-5874.5-153.600111.5N238 S256 H261 L263 L298 D301N238-E259 PolarHBondContact ND2-OE1 2.77Å; N238-E259 PolarHBondContact ND2-OE2 3.15Å; S256-E259 WeakPolarHBondContact CA-OE2 3.46Å; S256-E259 WeakPolarHBondContact CB-OE2 3.23Å; S256-E259 PolarHBondContact O-N 2.92Å; E259-H261 VanDerWaalsContact C-N 3.34Å; E259-L263 WeakPolarHBondContact O-CG 3.37Å; E259-L263 PolarHBondContact O-N 2.67Å; E259-L298 HydrophobicContact CB-CD2 4.05Å; E259-D301 HydrophobicContact CG-CB 3.83Å
260N98.5Very high97.5Very high53 Ų5338.5 Ų38.528%0.28320%0.197SC..Hα-helixtrans-64.7-37.7170.3-82-71000112.5Y252 E255 S256 L258 A264Y252-N260 HydrophobicContact CD1-CB 3.46Å; Y252-N260 VanDerWaalsContact CD1-CB 3.46Å; Y252-N260 HydrophobicContact CD2-CB 4.25Å; Y252-N260 HydrophobicContact CE1-CB 3.53Å; Y252-N260 HydrophobicContact CE2-CB 4.29Å; Y252-N260 HydrophobicContact CG-CB 3.84Å; Y252-N260 PolarHBondContact OH-O 3.32Å; E255-N260 PolarHBondContact O-ND2 3.46Å; E255-N260 VanDerWaalsContact O-ND2 3.15Å; S256-N260 WeakPolarHBondContact O-CB 3.43Å; S256-N260 PolarHBondContact O-N 3.43Å; S256-N260 PolarHBondContact O-ND2 3.45Å; L258-N260 VanDerWaalsContact C-N 3.32Å; L258-N260 PolarHBondContact O-N 3.09Å; N260-A264 WeakPolarHBondContact O-CB 3.33Å; N260-A264 PolarHBondContact O-N 3.43Å
261H98.6Very high97.5Very high3 Ų338.9 Ų38.91%0.01420%0.196CC..Hα-helixtrans-65-48.5176.5-173.357.9000111.8D232 Y252 V257 L258 E259 L263 A264 V265D232-H261 IonicContact OD2-CD2 3.51Å; D232-H261 IonicContact OD2-CE1 3.09Å; D232-H261 PolarHBondContact OD2-CE1 3.12Å; D232-H261 IonicContact OD2-NE2 2.73Å; D232-H261 PolarHBondContact OD2-NE2 3.47Å; Y252-H261 HydrophobicContact CE2-CB 3.69Å; Y252-H261 WeakPolarHBondContact OH-CA 3.38Å; V257-H261 WeakPolarHBondContact O-CB 3.24Å; V257-H261 PolarHBondContact O-N 2.78Å; L258-H261 CarbonylContact O-C 3.58Å; L258-H261 WeakPolarHBondContact O-CA 3.47Å; L258-H261 VanDerWaalsContact O-CB 3.23Å; L258-H261 WeakPolarHBondContact O-CB 3.39Å; L258-H261 PolarHBondContact O-N 2.9Å; E259-H261 VanDerWaalsContact C-N 3.34Å; H261-L263 VanDerWaalsContact C-N 3.31Å; H261-L263 PolarHBondContact O-N 3.22Å; H261-A264 WeakPolarHBondContact O-CB 3.48Å; H261-A264 PolarHBondContact O-N 3.11Å; H261-V265 WeakPolarHBondContact O-CG2 3.28Å; H261-V265 PolarHBondContact O-N 2.86Å
262H98.8Very high97.4Very high1 Ų137.6 Ų37.61%0.00519%0.189CC..Hα-helixtrans-55.6-46177.8-57.7-35.6000111.4H229 D230 V231 H233 L258 G266 V297H229-H262 WeakPolarHBondContact O-CB 3.37Å; H229-H262 PolarHBondContact O-CD2 3.11Å; D230-H262 IonicContact OD1-CD2 2.94Å; D230-H262 IonicContact OD1-NE2 3.24Å; V231-H262 HydrophobicContact CG1-CB 4.34Å; V231-H262 VanDerWaalsContact CG1-O 3.27Å; V231-H262 WeakPolarHBondContact CG1-O 3.31Å; V231-H262 PolarHBondContact O-ND1 2.95Å; H233-H262 AromaticContact CD2-CE1 3.91Å; H233-H262 AromaticContact CD2-NE2 3.73Å; L258-H262 PolarHBondContact O-CD2 3.19Å; L258-H262 PolarHBondContact O-N 3.29Å; L258-H262 PolarHBondContact O-NE2 2.84Å; H262-G266 PolarHBondContact O-N 2.87Å; H262-V297 HydrophobicContact CB-CG1 4.31Å
263L98.8Very high97.1Very high10 Ų1041.7 Ų41.75%0.05221%0.213CC..Hα-helixtrans-60.5-47.6172.9-77.7167.3000112.7I228 E259 H261 V265 F267 V293 I294 V297 L298I228-L263 HydrophobicContact CD1-CD2 4.31Å; E259-L263 WeakPolarHBondContact O-CG 3.37Å; E259-L263 PolarHBondContact O-N 2.67Å; H261-L263 VanDerWaalsContact C-N 3.31Å; H261-L263 PolarHBondContact O-N 3.22Å; L263-V265 PolarHBondContact O-N 2.61Å; L263-F267 HydrophobicContact CD2-CD2 4.33Å; L263-F267 HydrophobicContact CD2-CE2 3.92Å; L263-F267 VanDerWaalsContact O-CD2 3.31Å; L263-F267 WeakPolarHBondContact O-CD2 3.44Å; L263-F267 PolarHBondContact O-N 3.07Å; L263-F267 VanDerWaalsContact O-N 3.08Å; L263-V293 HydrophobicContact CD2-CG1 3.96Å; L263-I294 HydrophobicContact CD1-CB 4.29Å; L263-I294 HydrophobicContact CD1-CG1 4.19Å; L263-I294 HydrophobicContact CD1-CG2 4.14Å; L263-I294 HydrophobicContact CD2-CB 4.48Å; L263-I294 HydrophobicContact CD2-CG1 4Å; L263-V297 HydrophobicContact CD1-CB 4.11Å; L263-V297 HydrophobicContact CD1-CG1 4.3Å; L263-V297 HydrophobicContact CD2-CB 3.75Å; L263-V297 HydrophobicContact CD2-CG1 4.25Å; L263-V297 HydrophobicContact CD2-CG2 3.85Å; L263-V297 HydrophobicContact CG-CB 3.76Å; L263-V297 HydrophobicContact CG-CG1 3.79Å; L263-V297 HydrophobicContact CG-CG2 4.33Å; L263-L298 HydrophobicContact CD1-CD2 4.03Å; L263-L298 HydrophobicContact CD1-CG 3.85Å
264A98.2Very high97.1Very high30 Ų3039.4 Ų39.425%0.24820%0.201CC..Hα-helixtrans-60.3-46.6-178.800000111.2I91 Y252 N260 H261 K268I91-A264 HydrophobicContact CD1-CB 4.14Å; Y252-A264 WeakPolarHBondContact OH-CB 3.48Å; N260-A264 WeakPolarHBondContact O-CB 3.33Å; N260-A264 PolarHBondContact O-N 3.43Å; H261-A264 WeakPolarHBondContact O-CB 3.48Å; H261-A264 PolarHBondContact O-N 3.11Å; A264-K268 WeakPolarHBondContact O-CB 3.44Å; A264-K268 PolarHBondContact O-N 2.85Å
265V98.2Very high97.1Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-64.5-55.3177.6173.80000110.6V94 V231 D232 H261 L263 F267 K268 L269V94-V265 HydrophobicContact CG2-CG2 4.34Å; V231-V265 HydrophobicContact CG1-CB 3.93Å; V231-V265 HydrophobicContact CG1-CG1 3.86Å; V231-V265 HydrophobicContact CG2-CG1 3.88Å; D232-V265 HydrophobicContact CB-CG1 4.35Å; D232-V265 HydrophobicContact CB-CG2 4.2Å; H261-V265 WeakPolarHBondContact O-CG2 3.28Å; H261-V265 PolarHBondContact O-N 2.86Å; L263-V265 PolarHBondContact O-N 2.61Å; V265-F267 VanDerWaalsContact C-N 3.34Å; V265-F267 PolarHBondContact O-N 3.04Å; V265-K268 WeakPolarHBondContact O-CA 3.28Å; V265-K268 WeakPolarHBondContact O-CB 3.29Å; V265-K268 PolarHBondContact O-N 3.44Å; V265-L269 HydrophobicContact CG1-CD1 4.25Å; V265-L269 HydrophobicContact CG1-CG 4.31Å; V265-L269 WeakPolarHBondContact O-CG 3.43Å; V265-L269 PolarHBondContact O-N 3.46Å
266G98.1Very high97.2Very high0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-54.2-46.5-177.500000113Y174 H262Y174-G266 PolarHBondContact OH-O 2.7Å; Y174-G266 VanDerWaalsContact OH-O 3.05Å; H262-G266 PolarHBondContact O-N 2.87Å
267F98.6Very high97.3Very high24 Ų2430.9 Ų30.911%0.10516%0.159CC..Hα-helixtrans-72.6-28.4175.7-79.3-74.5000113.9F224 L263 V265 L270 R290 V293 I294F224-F267 HydrophobicContact CE1-CE1 4.34Å; F224-F267 HydrophobicContact CE1-CZ 4.25Å; L263-F267 HydrophobicContact CD2-CD2 4.33Å; L263-F267 HydrophobicContact CD2-CE2 3.92Å; L263-F267 VanDerWaalsContact O-CD2 3.31Å; L263-F267 WeakPolarHBondContact O-CD2 3.44Å; L263-F267 PolarHBondContact O-N 3.07Å; L263-F267 VanDerWaalsContact O-N 3.08Å; V265-F267 VanDerWaalsContact C-N 3.34Å; V265-F267 PolarHBondContact O-N 3.04Å; F267-L270 HydrophobicContact CD1-CD1 3.79Å; F267-L270 HydrophobicContact CE1-CD1 4.43Å; F267-L270 WeakPolarHBondContact O-CB 3.32Å; F267-R290 HydrophobicContact CE1-CB 4.14Å; F267-R290 HydrophobicContact CE1-CG 4.07Å; F267-R290 HydrophobicContact CE2-CG 4.34Å; F267-R290 HydrophobicContact CZ-CB 4.1Å; F267-R290 HydrophobicContact CZ-CG 3.87Å; F267-V293 HydrophobicContact CE2-CB 4.22Å; F267-V293 HydrophobicContact CE2-CG1 3.7Å; F267-V293 HydrophobicContact CZ-CB 3.91Å; F267-V293 HydrophobicContact CZ-CG1 3.76Å; F267-V293 HydrophobicContact CZ-CG2 4.47Å; F267-I294 HydrophobicContact CE2-CG1 4.41Å
268K97.4Very high97.2Very high67 Ų6731.1 Ų31.129%0.29116%0.16SC..Hα-helixtrans-67.5-38.5176.9176.861.6-171.6175.70111.4I91 A264 V265 L270 Q271I91-K268 HydrophobicContact CD1-CB 4.32Å; I91-K268 HydrophobicContact CD1-CG 4.36Å; A264-K268 WeakPolarHBondContact O-CB 3.44Å; A264-K268 PolarHBondContact O-N 2.85Å; V265-K268 WeakPolarHBondContact O-CA 3.28Å; V265-K268 WeakPolarHBondContact O-CB 3.29Å; V265-K268 PolarHBondContact O-N 3.44Å; K268-L270 PolarHBondContact O-N 3.06Å; K268-Q271 VanDerWaalsContact O-CB 3.31Å; K268-Q271 WeakPolarHBondContact O-CB 3.27Å; K268-Q271 PolarHBondContact O-N 3.41Å
269L96.6Very high97.2Very high1 Ų135 Ų351%0.00518%0.178CC..Hα-helixtrans-61.6-26.8-179.6-65.6-176.9000113.1V94 Y174 T177 L178 H181 V265 Q271 E272 C275V94-L269 HydrophobicContact CG1-CD2 3.99Å; Y174-L269 HydrophobicContact CD2-CB 4.45Å; Y174-L269 HydrophobicContact CE2-CB 3.89Å; T177-L269 HydrophobicContact CG2-CD1 4.45Å; T177-L269 HydrophobicContact CG2-CD2 4.01Å; L178-L269 HydrophobicContact CB-CD1 4.34Å; L178-L269 HydrophobicContact CD1-CD1 4Å; H181-L269 HydrophobicContact CB-CD1 4.4Å; V265-L269 HydrophobicContact CG1-CD1 4.25Å; V265-L269 HydrophobicContact CG1-CG 4.31Å; V265-L269 WeakPolarHBondContact O-CG 3.43Å; V265-L269 PolarHBondContact O-N 3.46Å; L269-Q271 PolarHBondContact O-N 2.87Å; L269-E272 WeakPolarHBondContact O-CB 3.23Å; L269-E272 PolarHBondContact O-N 3.38Å; L269-E272 VanDerWaalsContact O-N 3.09Å; L269-C275 WeakPolarHBondContact O-CB 3.25Å
270L96.3Very high97.1Very high12 Ų1238.4 Ų38.46%0.06320%0.196CC..THydrogen-bonded Turntrans-59.7-18.5172.3-64.4168.2000113.5Y174 F267 K268 C275 D276 I277 F278Y174-L270 HydrophobicContact CD2-CD2 3.71Å; Y174-L270 HydrophobicContact CD2-CG 4.33Å; Y174-L270 HydrophobicContact CE2-CD2 3.48Å; Y174-L270 VanDerWaalsContact CE2-CD2 3.48Å; Y174-L270 HydrophobicContact CE2-CG 3.76Å; Y174-L270 HydrophobicContact CG-CD2 4.49Å; F267-L270 HydrophobicContact CD1-CD1 3.79Å; F267-L270 HydrophobicContact CE1-CD1 4.43Å; F267-L270 WeakPolarHBondContact O-CB 3.32Å; K268-L270 PolarHBondContact O-N 3.06Å; L270-C275 WeakPolarHBondContact CD2-O 3.3Å; L270-D276 WeakPolarHBondContact O-CB 3.48Å; L270-D276 PolarHBondContact O-N 3.08Å; L270-I277 HydrophobicContact CD2-CD1 4.5Å; L270-I277 HydrophobicContact CD2-CG1 3.62Å; L270-F278 HydrophobicContact CD1-CD2 3.67Å; L270-F278 HydrophobicContact CD1-CE2 3.88Å; L270-F278 HydrophobicContact CD2-CD2 4.04Å; L270-F278 HydrophobicContact CD2-CE2 4.19Å
271Q94.9Very high97.1Very high120 Ų12036.6 Ų36.656%0.56119%0.187SC*.THydrogen-bonded Turntrans-89.4-7.3-179.4-56.31781200113.5K268 L269K268-Q271 VanDerWaalsContact O-CB 3.31Å; K268-Q271 WeakPolarHBondContact O-CB 3.27Å; K268-Q271 PolarHBondContact O-N 3.41Å; L269-Q271 PolarHBondContact O-N 2.87Å
272E93.4Very high97Very high62 Ų6240.1 Ų40.129%0.2921%0.209SC..SBendtrans-70.4164.3173.2-67-58.3140.100111.4L269 N274 C275L269-E272 WeakPolarHBondContact O-CB 3.23Å; L269-E272 PolarHBondContact O-N 3.38Å; L269-E272 VanDerWaalsContact O-N 3.09Å; E272-N274 PolarHBondContact O-N 2.68Å; E272-C275 HydrophobicContact CB-CB 4.06Å; E272-C275 PolarHBondContact O-N 3.36Å
273D91.4Very high96.9Very high126 Ų12645.7 Ų45.767%0.67423%0.233SC*.THydrogen-bonded Turntrans-64128-175.6-68.3-31.3000110.7C275D273-C275 VanDerWaalsContact C-N 3.25Å; D273-C275 PolarHBondContact O-N 3.06Å; D273-C275 PolarHBondContact O-SG 2.73Å; D273-C275 VanDerWaalsContact O-SG 3.37Å
274N95.6Very high96.8Very high78 Ų7852.4 Ų52.442%0.41726%0.262SS..THydrogen-bonded Turntrans55.929.4-176-157.630.6000115.4D169 T170 A173 E272D169-N274 PolarHBondContact OD2-ND2 3.13Å; T170-N274 VanDerWaalsContact CA-O 3.32Å; T170-N274 WeakPolarHBondContact CA-O 3.36Å; T170-N274 WeakPolarHBondContact CG2-O 3.11Å; T170-N274 PolarHBondContact OG1-OD1 2.93Å; A173-N274 HydrophobicContact CB-CB 4.5Å; A173-N274 WeakPolarHBondContact CB-O 3.37Å; E272-N274 PolarHBondContact O-N 2.68Å
275C97.1Very high96.7Very high3 Ų354.2 Ų54.22%0.0227%0.265CS..  trans-110.9-3.2-177.9-69.50000114.6Y174 L269 L270 E272 D273 I277Y174-C275 HydrophobicContact CD2-CB 4.14Å; Y174-C275 VanDerWaalsContact CD2-O 3.24Å; Y174-C275 WeakPolarHBondContact CD2-O 3.38Å; L269-C275 WeakPolarHBondContact O-CB 3.25Å; L270-C275 WeakPolarHBondContact CD2-O 3.3Å; E272-C275 HydrophobicContact CB-CB 4.06Å; E272-C275 PolarHBondContact O-N 3.36Å; D273-C275 VanDerWaalsContact C-N 3.25Å; D273-C275 PolarHBondContact O-N 3.06Å; D273-C275 PolarHBondContact O-SG 2.73Å; D273-C275 VanDerWaalsContact O-SG 3.37Å; C275-I277 PolarHBondContact O-N 3.41Å
276D97.9Very high96.7Very high35 Ų3557.8 Ų57.819%0.18728%0.278CS..  trans-78.181.8-179.2-170.56.8000112.2L270 F278 Q279 R286L270-D276 WeakPolarHBondContact O-CB 3.48Å; L270-D276 PolarHBondContact O-N 3.08Å; D276-F278 PolarHBondContact O-N 3.33Å; D276-F278 VanDerWaalsContact O-N 3.13Å; D276-F278 PolarHBondContact OD1-N 3.47Å; D276-F278 VanDerWaalsContact OD1-N 3.11Å; D276-Q279 HydrophobicContact CB-CB 4.1Å; D276-Q279 WeakPolarHBondContact O-CB 3.15Å; D276-Q279 VanDerWaalsContact O-CG 3.26Å; D276-Q279 WeakPolarHBondContact O-CG 3.37Å; D276-Q279 PolarHBondContact O-N 3Å; D276-Q279 VanDerWaalsContact O-N 3.16Å; D276-Q279 PolarHBondContact OD1-N 2.87Å; D276-Q279 WeakPolarHBondContact OD2-CA 3.4Å; D276-R286 VanDerWaalsContact CG-NH2 3.29Å; D276-R286 IonicContact OD1-CZ 2.72Å; D276-R286 IonicContact OD1-NH1 3.34Å; D276-R286 IonicContact OD1-NH2 3.86Å; D276-R286 PolarHBondContact OD1-NH2 3.26Å; D276-R286 IonicContact OD2-CZ 3.76Å; D276-R286 IonicContact OD2-NH1 2.66Å; D276-R286 PolarHBondContact OD2-NH1 3.44Å; D276-R286 IonicContact OD2-NH2 3.44Å; D276-R286 PolarHBondContact OD2-NH2 3.31Å; D276-R286 VanDerWaalsContact OD2-NH2 3.09Å
277I98.3Very high96.6Very high4 Ų460.3 Ų60.32%0.02129%0.29CS..THydrogen-bonded Turntrans-65.2-11.7176.260.8166.4000113.4I166 T170 F171 Y174 F224 L270 C275I166-I277 WeakPolarHBondContact CG1-O 3.41Å; I166-I277 HydrophobicContact CG2-CB 3.89Å; I166-I277 HydrophobicContact CG2-CG2 4.07Å; T170-I277 HydrophobicContact CG2-CG2 4.24Å; F171-I277 HydrophobicContact CB-CG2 4.4Å; F171-I277 HydrophobicContact CD2-CG2 4.31Å; Y174-I277 HydrophobicContact CD1-CD1 3.93Å; Y174-I277 HydrophobicContact CD1-CG1 4.42Å; Y174-I277 HydrophobicContact CD1-CG2 4.33Å; Y174-I277 HydrophobicContact CE1-CD1 4.12Å; Y174-I277 HydrophobicContact CG-CD1 4.44Å; Y174-I277 HydrophobicContact CG-CG1 4.45Å; Y174-I277 HydrophobicContact CG-CG2 4.02Å; F224-I277 HydrophobicContact CD2-CD1 3.98Å; F224-I277 HydrophobicContact CE2-CD1 3.84Å; L270-I277 HydrophobicContact CD2-CD1 4.5Å; L270-I277 HydrophobicContact CD2-CG1 3.62Å; C275-I277 PolarHBondContact O-N 3.41Å
278F98.2Very high96.5Very high5 Ų561.6 Ų61.62%0.02230%0.302CS..THydrogen-bonded Turntrans-105.911.7178.5-56.1-40000113.1L220 F224 L270 D276 N280 L281 R286 L289L220-F278 HydrophobicContact CD1-CE1 4.3Å; L220-F278 HydrophobicContact CD2-CD1 4.34Å; L220-F278 HydrophobicContact CD2-CE1 3.95Å; L220-F278 HydrophobicContact CG-CE1 4.27Å; F224-F278 HydrophobicContact CB-CZ 4.5Å; F224-F278 HydrophobicContact CD1-CE2 4.32Å; F224-F278 HydrophobicContact CD1-CZ 4.04Å; F224-F278 HydrophobicContact CD2-CE2 4.3Å; F224-F278 AromaticContact CD2-CZ 3.66Å; F224-F278 HydrophobicContact CD2-CZ 3.66Å; F224-F278 AromaticContact CE1-CE2 3.95Å; F224-F278 HydrophobicContact CE1-CE2 3.95Å; F224-F278 HydrophobicContact CE1-CZ 4.11Å; F224-F278 AromaticContact CE2-CE2 3.92Å; F224-F278 HydrophobicContact CE2-CE2 3.92Å; F224-F278 AromaticContact CE2-CZ 3.72Å; F224-F278 HydrophobicContact CE2-CZ 3.72Å; F224-F278 HydrophobicContact CG-CE2 4.47Å; F224-F278 AromaticContact CG-CZ 3.8Å; F224-F278 HydrophobicContact CG-CZ 3.8Å; F224-F278 AromaticContact CZ-CE2 3.74Å; F224-F278 HydrophobicContact CZ-CE2 3.74Å; F224-F278 AromaticContact CZ-CZ 3.95Å; F224-F278 HydrophobicContact CZ-CZ 3.95Å; L270-F278 HydrophobicContact CD1-CD2 3.67Å; L270-F278 HydrophobicContact CD1-CE2 3.88Å; L270-F278 HydrophobicContact CD2-CD2 4.04Å; L270-F278 HydrophobicContact CD2-CE2 4.19Å; D276-F278 PolarHBondContact O-N 3.33Å; D276-F278 VanDerWaalsContact O-N 3.13Å; D276-F278 PolarHBondContact OD1-N 3.47Å; D276-F278 VanDerWaalsContact OD1-N 3.11Å; F278-N280 PolarHBondContact O-N 3.11Å; F278-N280 VanDerWaalsContact O-N 3.12Å; F278-L281 HydrophobicContact CB-CD1 3.87Å; F278-L281 HydrophobicContact CB-CG 4.18Å; F278-L281 HydrophobicContact CD1-CD1 3.8Å; F278-L281 HydrophobicContact CG-CD1 4.03Å; F278-L281 WeakPolarHBondContact O-CB 3.3Å; F278-L281 PolarHBondContact O-N 2.87Å; F278-L281 VanDerWaalsContact O-N 3.12Å; F278-R286 HydrophobicContact CB-CG 4.48Å; F278-R286 WeakPolarHBondContact O-CD 3.34Å; F278-R286 PolarHBondContact O-NH1 3.3Å; F278-R286 VanDerWaalsContact O-NH1 3.17Å; F278-L289 HydrophobicContact CD1-CD1 4.19Å; F278-L289 HydrophobicContact CD2-CD2 4.16Å; F278-L289 HydrophobicContact CE1-CD1 3.8Å; F278-L289 HydrophobicContact CE1-CD2 4.34Å; F278-L289 HydrophobicContact CE2-CD2 3.65Å; F278-L289 HydrophobicContact CZ-CD1 4Å; F278-L289 HydrophobicContact CZ-CD2 3.76Å
279Q96.9Very high96.6Very high85 Ų8558.4 Ų58.440%0.39729%0.288SS..THydrogen-bonded Turntrans-56.7-30.1-176.464.2-175.7-1700114.2D276D276-Q279 HydrophobicContact CB-CB 4.1Å; D276-Q279 WeakPolarHBondContact O-CB 3.15Å; D276-Q279 VanDerWaalsContact O-CG 3.26Å; D276-Q279 WeakPolarHBondContact O-CG 3.37Å; D276-Q279 PolarHBondContact O-N 3Å; D276-Q279 VanDerWaalsContact O-N 3.16Å; D276-Q279 PolarHBondContact OD1-N 2.87Å; D276-Q279 WeakPolarHBondContact OD2-CA 3.4Å
280N97.5Very high96.6Very high88 Ų8862.6 Ų62.647%0.47130%0.304SS..THydrogen-bonded Turntrans-97.40.4-176.6-68.4-41.1000114K165 F278K165-N280 HydrophobicContact CB-CB 4.13Å; K165-N280 PolarHBondContact O-ND2 3.48Å; F278-N280 PolarHBondContact O-N 3.11Å; F278-N280 VanDerWaalsContact O-N 3.12Å
281L97.8Very high96.7Very high15 Ų1564.8 Ų64.88%0.07931%0.313CS..SBendtrans-74.4146.3171.9-61.9-170.3000110.8F164 L217 F278 Q285 R286 L289F164-L281 HydrophobicContact CB-CD2 4.07Å; F164-L281 HydrophobicContact CD1-CD2 3.27Å; F164-L281 HydrophobicContact CE1-CD2 4Å; F164-L281 HydrophobicContact CG-CD2 3.99Å; L217-L281 HydrophobicContact CD1-CD1 4.33Å; F278-L281 HydrophobicContact CB-CD1 3.87Å; F278-L281 HydrophobicContact CB-CG 4.18Å; F278-L281 HydrophobicContact CD1-CD1 3.8Å; F278-L281 HydrophobicContact CG-CD1 4.03Å; F278-L281 WeakPolarHBondContact O-CB 3.3Å; F278-L281 PolarHBondContact O-N 2.87Å; F278-L281 VanDerWaalsContact O-N 3.12Å; L281-Q285 HydrophobicContact CB-CB 4.13Å; L281-R286 HydrophobicContact CB-CG 3.51Å; L281-R286 HydrophobicContact CD1-CG 4.19Å; L281-R286 HydrophobicContact CG-CG 4.41Å; L281-L289 HydrophobicContact CD1-CD1 4Å
282T97.9Very high96.9Very high77 Ų7759.4 Ų59.447%0.47229%0.288SS..  trans-65.7158.7170.564.20000111.3K284 Q285 R286T282-K284 VanDerWaalsContact C-N 3.26Å; T282-K284 PolarHBondContact O-N 3.29Å; T282-Q285 PolarHBondContact O-N 2.97Å; T282-Q285 VanDerWaalsContact O-N 3.12Å; T282-Q285 WeakPolarHBondContact OG1-CB 3.17Å; T282-Q285 VanDerWaalsContact OG1-CG 3.27Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.3Å; T282-Q285 PolarHBondContact OG1-N 3.44Å; T282-Q285 PolarHBondContact OG1-OE1 2.99Å; T282-R286 PolarHBondContact O-N 3.44Å
283K96Very high97.1Very high117 Ų11756.4 Ų56.451%0.50927%0.274SS..Hα-helixtrans-51.9-46.1176.7-173.6-172.3172-164.70111.5E68 R286 Q287E68-K283 IonicContact OE1-NZ 2.85Å; E68-K283 PolarHBondContact OE1-NZ 3.08Å; K283-R286 PolarHBondContact O-N 3.33Å; K283-Q287 WeakPolarHBondContact O-CG 3.14Å; K283-Q287 PolarHBondContact O-N 3.01Å; K283-Q287 PolarHBondContact O-OE1 3.23Å
284K95.8Very high97.5Very high152 Ų15252.6 Ų52.666%0.66125%0.253SS*.Hα-helixtrans-61.9-46.3178.6-171177-177.7178.60111.9T282 R286 Q287 S288T282-K284 VanDerWaalsContact C-N 3.26Å; T282-K284 PolarHBondContact O-N 3.29Å; K284-R286 PolarHBondContact O-N 3.13Å; K284-Q287 PolarHBondContact O-N 3.11Å; K284-S288 PolarHBondContact O-N 3.36Å; K284-S288 PolarHBondContact O-OG 3.2Å
285Q97.5Very high97.6Very high67 Ų6750.7 Ų50.731%0.31324%0.243SC..Hα-helixtrans-61.6-42.6176.3-74.6168.3-50.200112.2L217 L281 T282 Q287 S288 L289L217-Q285 HydrophobicContact CD1-CB 4.17Å; L217-Q285 HydrophobicContact CD1-CG 4.47Å; L217-Q285 HydrophobicContact CD2-CB 4.16Å; L217-Q285 HydrophobicContact CD2-CG 4.15Å; L281-Q285 HydrophobicContact CB-CB 4.13Å; T282-Q285 PolarHBondContact O-N 2.97Å; T282-Q285 VanDerWaalsContact O-N 3.12Å; T282-Q285 WeakPolarHBondContact OG1-CB 3.17Å; T282-Q285 VanDerWaalsContact OG1-CG 3.27Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.3Å; T282-Q285 PolarHBondContact OG1-N 3.44Å; T282-Q285 PolarHBondContact OG1-OE1 2.99Å; Q285-Q287 VanDerWaalsContact C-N 3.33Å; Q285-Q287 PolarHBondContact O-N 3.2Å; Q285-S288 PolarHBondContact O-N 3.3Å; Q285-L289 VanDerWaalsContact O-CB 3.26Å; Q285-L289 WeakPolarHBondContact O-CB 3.32Å; Q285-L289 PolarHBondContact O-N 3.13Å
286R97.6Very high97.7Very high75 Ų7550.6 Ų50.628%0.28324%0.242SC..Hα-helixtrans-63.4-39.3176.7-66.7-172.779.8148.54.3112D276 F278 L281 T282 K283 K284 R290D276-R286 VanDerWaalsContact CG-NH2 3.29Å; D276-R286 IonicContact OD1-CZ 2.72Å; D276-R286 IonicContact OD1-NH1 3.34Å; D276-R286 IonicContact OD1-NH2 3.86Å; D276-R286 PolarHBondContact OD1-NH2 3.26Å; D276-R286 IonicContact OD2-CZ 3.76Å; D276-R286 IonicContact OD2-NH1 2.66Å; D276-R286 PolarHBondContact OD2-NH1 3.44Å; D276-R286 IonicContact OD2-NH2 3.44Å; D276-R286 PolarHBondContact OD2-NH2 3.31Å; D276-R286 VanDerWaalsContact OD2-NH2 3.09Å; F278-R286 HydrophobicContact CB-CG 4.48Å; F278-R286 WeakPolarHBondContact O-CD 3.34Å; F278-R286 PolarHBondContact O-NH1 3.3Å; F278-R286 VanDerWaalsContact O-NH1 3.17Å; L281-R286 HydrophobicContact CB-CG 3.51Å; L281-R286 HydrophobicContact CD1-CG 4.19Å; L281-R286 HydrophobicContact CG-CG 4.41Å; T282-R286 PolarHBondContact O-N 3.44Å; K283-R286 PolarHBondContact O-N 3.33Å; K284-R286 PolarHBondContact O-N 3.13Å; R286-R290 WeakPolarHBondContact O-CB 3.39Å; R286-R290 PolarHBondContact O-N 3.13Å
287Q95.8Very high97.7Very high54 Ų5448.9 Ų48.925%0.25223%0.233SC..Hα-helixtrans-65.4-47.7175.9-73.4171.8-5700111.4V67 K283 K284 Q285 R290 K291V67-Q287 PolarHBondContact O-NE2 2.83Å; K283-Q287 WeakPolarHBondContact O-CG 3.14Å; K283-Q287 PolarHBondContact O-N 3.01Å; K283-Q287 PolarHBondContact O-OE1 3.23Å; K284-Q287 PolarHBondContact O-N 3.11Å; Q285-Q287 VanDerWaalsContact C-N 3.33Å; Q285-Q287 PolarHBondContact O-N 3.2Å; Q287-R290 PolarHBondContact O-N 3.29Å; Q287-K291 WeakPolarHBondContact O-CB 3.44Å; Q287-K291 PolarHBondContact O-N 3.18Å
288S96.9Very high97.7Very high50 Ų5051.1 Ų51.135%0.3524%0.244SC..Hα-helixtrans-62.5-47.6177.2-63.50000112.1K284 Q285 R290 K291 M292K284-S288 PolarHBondContact O-N 3.36Å; K284-S288 PolarHBondContact O-OG 3.2Å; Q285-S288 PolarHBondContact O-N 3.3Å; S288-R290 PolarHBondContact O-N 3.24Å; S288-K291 PolarHBondContact O-N 3.42Å; S288-M292 WeakPolarHBondContact O-CG 3.38Å; S288-M292 PolarHBondContact O-N 3.38Å
289L98.5Very high97.7Very high1 Ų150.9 Ų50.91%0.00524%0.243CC..Hα-helixtrans-58.6-47.8176.3-179.2149.9000110.9L217 L220 A221 F278 L281 Q285 K291 M292 V293L217-L289 HydrophobicContact CD1-CB 4.16Å; L217-L289 HydrophobicContact CD1-CD1 4.04Å; L217-L289 HydrophobicContact CG-CB 4.45Å; L220-L289 HydrophobicContact CD2-CD1 3.49Å; L220-L289 VanDerWaalsContact CD2-CD1 3.49Å; L220-L289 HydrophobicContact CG-CD1 3.8Å; A221-L289 HydrophobicContact CB-CG 4.2Å; F278-L289 HydrophobicContact CD1-CD1 4.19Å; F278-L289 HydrophobicContact CD2-CD2 4.16Å; F278-L289 HydrophobicContact CE1-CD1 3.8Å; F278-L289 HydrophobicContact CE1-CD2 4.34Å; F278-L289 HydrophobicContact CE2-CD2 3.65Å; F278-L289 HydrophobicContact CZ-CD1 4Å; F278-L289 HydrophobicContact CZ-CD2 3.76Å; L281-L289 HydrophobicContact CD1-CD1 4Å; Q285-L289 VanDerWaalsContact O-CB 3.26Å; Q285-L289 WeakPolarHBondContact O-CB 3.32Å; Q285-L289 PolarHBondContact O-N 3.13Å; L289-K291 VanDerWaalsContact C-N 3.3Å; L289-K291 PolarHBondContact O-N 3.15Å; L289-M292 PolarHBondContact O-N 3.24Å; L289-V293 HydrophobicContact CD2-CG2 3.93Å; L289-V293 HydrophobicContact CG-CG2 4.29Å; L289-V293 WeakPolarHBondContact O-CB 3.47Å; L289-V293 VanDerWaalsContact O-CG2 3.23Å; L289-V293 WeakPolarHBondContact O-CG2 3.28Å; L289-V293 PolarHBondContact O-N 2.94Å
290R98.3Very high97.8Very high89 Ų8947.1 Ų47.134%0.33623%0.226SC..Hα-helixtrans-58.9-43.6178.6177.7173.2176.6762.4111.6F267 R286 Q287 S288 I294F267-R290 HydrophobicContact CE1-CB 4.14Å; F267-R290 HydrophobicContact CE1-CG 4.07Å; F267-R290 HydrophobicContact CE2-CG 4.34Å; F267-R290 HydrophobicContact CZ-CB 4.1Å; F267-R290 HydrophobicContact CZ-CG 3.87Å; R286-R290 WeakPolarHBondContact O-CB 3.39Å; R286-R290 PolarHBondContact O-N 3.13Å; Q287-R290 PolarHBondContact O-N 3.29Å; S288-R290 PolarHBondContact O-N 3.24Å; R290-I294 HydrophobicContact CG-CD1 3.73Å; R290-I294 HydrophobicContact CG-CG1 4.43Å; R290-I294 WeakPolarHBondContact O-CD1 3.33Å; R290-I294 VanDerWaalsContact O-CG1 3.23Å; R290-I294 WeakPolarHBondContact O-CG1 3.24Å; R290-I294 PolarHBondContact O-N 2.92Å
291K97.2Very high97.8Very high58 Ų5843.4 Ų43.425%0.25221%0.206SC..Hα-helixtrans-60-50.9177.5176.3171.516838.40111.3N65 Q287 S288 L289 V293 I294 D295 Y332N65-K291 WeakPolarHBondContact OD1-CE 3.5Å; Q287-K291 WeakPolarHBondContact O-CB 3.44Å; Q287-K291 PolarHBondContact O-N 3.18Å; S288-K291 PolarHBondContact O-N 3.42Å; L289-K291 VanDerWaalsContact C-N 3.3Å; L289-K291 PolarHBondContact O-N 3.15Å; K291-V293 PolarHBondContact O-N 3.05Å; K291-I294 PolarHBondContact O-N 3.19Å; K291-D295 IonicContact NZ-OD1 3.53Å; K291-D295 PolarHBondContact NZ-OD1 2.9Å; K291-D295 IonicContact NZ-OD2 3.56Å; K291-D295 PolarHBondContact NZ-OD2 3.38Å; K291-D295 VanDerWaalsContact O-CG 3.24Å; K291-D295 PolarHBondContact O-N 3.36Å; K291-Y332 WeakPolarHBondContact CE-OH 3.27Å
292M98.6Very high97.7Very high6 Ų646.6 Ų46.63%0.0322%0.222CC..Hα-helixtrans-61.5-43.6-178.8-66.9-177.7-61.700111.8L217 E218 A221 S288 L289 I294 D295 M296 Y332 I336L217-M292 HydrophobicContact CD2-CE 4.23Å; L217-M292 HydrophobicContact CG-CE 4.07Å; E218-M292 HydrophobicContact CB-SD 4.4Å; E218-M292 HydrophobicContact CG-CE 4.03Å; E218-M292 HydrophobicContact CG-SD 3.42Å; E218-M292 WeakPolarHBondContact CG-SD 3.49Å; A221-M292 HydrophobicContact CB-CB 4.02Å; A221-M292 HydrophobicContact CB-CE 3.83Å; S288-M292 WeakPolarHBondContact O-CG 3.38Å; S288-M292 PolarHBondContact O-N 3.38Å; L289-M292 PolarHBondContact O-N 3.24Å; M292-I294 PolarHBondContact O-N 2.92Å; M292-D295 PolarHBondContact O-N 2.93Å; M292-M296 HydrophobicContact CB-CE 4.02Å; M292-M296 WeakPolarHBondContact O-CB 3.49Å; M292-M296 VanDerWaalsContact O-CE 3.29Å; M292-M296 WeakPolarHBondContact O-CE 3.33Å; M292-M296 WeakPolarHBondContact O-CG 3.45Å; M292-M296 PolarHBondContact O-N 2.93Å; M292-Y332 HydrophobicContact CG-CE2 3.79Å; M292-Y332 HydrophobicContact SD-CE2 4.19Å; M292-I336 HydrophobicContact CB-CD1 4Å; M292-I336 HydrophobicContact CG-CD1 4.1Å
293V98.9Very high97.4Very high0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-62.8-41.8178.11730000111.5A221 F224 A225 I228 L263 F267 L289 K291 M296 V297A221-V293 HydrophobicContact CB-CG2 3.96Å; F224-V293 HydrophobicContact CD1-CG1 3.92Å; F224-V293 HydrophobicContact CD1-CG2 3.77Å; F224-V293 HydrophobicContact CE1-CG1 4.12Å; F224-V293 HydrophobicContact CE1-CG2 4.49Å; A225-V293 HydrophobicContact CB-CG1 4.19Å; A225-V293 HydrophobicContact CB-CG2 4.5Å; I228-V293 HydrophobicContact CD1-CG1 3.83Å; L263-V293 HydrophobicContact CD2-CG1 3.96Å; F267-V293 HydrophobicContact CE2-CB 4.22Å; F267-V293 HydrophobicContact CE2-CG1 3.7Å; F267-V293 HydrophobicContact CZ-CB 3.91Å; F267-V293 HydrophobicContact CZ-CG1 3.76Å; F267-V293 HydrophobicContact CZ-CG2 4.47Å; L289-V293 HydrophobicContact CD2-CG2 3.93Å; L289-V293 HydrophobicContact CG-CG2 4.29Å; L289-V293 WeakPolarHBondContact O-CB 3.47Å; L289-V293 VanDerWaalsContact O-CG2 3.23Å; L289-V293 WeakPolarHBondContact O-CG2 3.28Å; L289-V293 PolarHBondContact O-N 2.94Å; K291-V293 PolarHBondContact O-N 3.05Å; V293-M296 PolarHBondContact O-N 3.5Å; V293-V297 HydrophobicContact CG1-CG2 4.3Å; V293-V297 WeakPolarHBondContact O-CG2 3.26Å; V293-V297 PolarHBondContact O-N 3.15Å
294I98.6Very high97.3Very high45 Ų4544.8 Ų44.823%0.23122%0.218CC..Hα-helixtrans-61.6-48.4174.6-69.6166.2000110.5L263 F267 R290 K291 M292 M296 L298L263-I294 HydrophobicContact CD1-CB 4.29Å; L263-I294 HydrophobicContact CD1-CG1 4.19Å; L263-I294 HydrophobicContact CD1-CG2 4.14Å; L263-I294 HydrophobicContact CD2-CB 4.48Å; L263-I294 HydrophobicContact CD2-CG1 4Å; F267-I294 HydrophobicContact CE2-CG1 4.41Å; R290-I294 HydrophobicContact CG-CD1 3.73Å; R290-I294 HydrophobicContact CG-CG1 4.43Å; R290-I294 WeakPolarHBondContact O-CD1 3.33Å; R290-I294 VanDerWaalsContact O-CG1 3.23Å; R290-I294 WeakPolarHBondContact O-CG1 3.24Å; R290-I294 PolarHBondContact O-N 2.92Å; K291-I294 PolarHBondContact O-N 3.19Å; M292-I294 PolarHBondContact O-N 2.92Å; I294-M296 PolarHBondContact O-N 3.09Å; I294-L298 HydrophobicContact CG2-CD1 3.71Å; I294-L298 HydrophobicContact CG2-CG 4.32Å; I294-L298 WeakPolarHBondContact O-CB 3.36Å; I294-L298 WeakPolarHBondContact O-CG 3.29Å; I294-L298 PolarHBondContact O-N 3.4Å
295D98.1Very high97.3Very high39 Ų3937.9 Ų37.921%0.20919%0.188CC..Hα-helixtrans-59.4-36.3-180-67-18.9000111.4K291 M292 Y332 I336 R340K291-D295 IonicContact NZ-OD1 3.53Å; K291-D295 PolarHBondContact NZ-OD1 2.9Å; K291-D295 IonicContact NZ-OD2 3.56Å; K291-D295 PolarHBondContact NZ-OD2 3.38Å; K291-D295 VanDerWaalsContact O-CG 3.24Å; K291-D295 PolarHBondContact O-N 3.36Å; M292-D295 PolarHBondContact O-N 2.93Å; D295-Y332 PolarHBondContact OD2-OH 3.31Å; D295-I336 HydrophobicContact CB-CD1 4.02Å; D295-I336 HydrophobicContact CB-CG1 3.78Å; D295-R340 WeakPolarHBondContact O-CD 3.46Å; D295-R340 WeakPolarHBondContact O-CG 3.44Å; D295-R340 PolarHBondContact O-NE 3.38Å; D295-R340 VanDerWaalsContact O-NE 3.08Å
296M98.8Very high97Very high0 Ų040 Ų400%020%0.199CC..Hα-helixtrans-76.7-48.5179-74.3-177.5-74.100114.1A221 A222 A225 M292 V293 I294 A299 I336 L339 R340 V343A221-M296 VanDerWaalsContact C-CE 3.44Å; A221-M296 HydrophobicContact CB-CE 3.77Å; A221-M296 WeakPolarHBondContact O-CE 3.39Å; A222-M296 HydrophobicContact CB-CE 4.33Å; A222-M296 HydrophobicContact CB-SD 3.9Å; A225-M296 HydrophobicContact CB-CB 3.86Å; A225-M296 HydrophobicContact CB-CE 3.95Å; A225-M296 HydrophobicContact CB-SD 4.29Å; M292-M296 HydrophobicContact CB-CE 4.02Å; M292-M296 WeakPolarHBondContact O-CB 3.49Å; M292-M296 VanDerWaalsContact O-CE 3.29Å; M292-M296 WeakPolarHBondContact O-CE 3.33Å; M292-M296 WeakPolarHBondContact O-CG 3.45Å; M292-M296 PolarHBondContact O-N 2.93Å; V293-M296 PolarHBondContact O-N 3.5Å; I294-M296 PolarHBondContact O-N 3.09Å; M296-A299 VanDerWaalsContact O-CB 3.25Å; M296-A299 WeakPolarHBondContact O-CB 3.22Å; M296-A299 PolarHBondContact O-N 2.92Å; M296-I336 HydrophobicContact CG-CD1 4.13Å; M296-L339 HydrophobicContact CG-CB 4.38Å; M296-L339 HydrophobicContact SD-CB 3.79Å; M296-R340 HydrophobicContact CG-CG 4.11Å; M296-V343 HydrophobicContact SD-CG2 3.99Å
297V98.8Very high96.7Very high0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-69.5-36-179.1178.40000111.1A225 I228 H229 H262 L263 V293 A299 T300A225-V297 HydrophobicContact CB-CG2 3.99Å; I228-V297 HydrophobicContact CD1-CG2 4.41Å; I228-V297 HydrophobicContact CG1-CG2 4.14Å; H229-V297 HydrophobicContact CB-CG1 4.34Å; H229-V297 HydrophobicContact CB-CG2 4.36Å; H262-V297 HydrophobicContact CB-CG1 4.31Å; L263-V297 HydrophobicContact CD1-CB 4.11Å; L263-V297 HydrophobicContact CD1-CG1 4.3Å; L263-V297 HydrophobicContact CD2-CB 3.75Å; L263-V297 HydrophobicContact CD2-CG1 4.25Å; L263-V297 HydrophobicContact CD2-CG2 3.85Å; L263-V297 HydrophobicContact CG-CB 3.76Å; L263-V297 HydrophobicContact CG-CG1 3.79Å; L263-V297 HydrophobicContact CG-CG2 4.33Å; V293-V297 HydrophobicContact CG1-CG2 4.3Å; V293-V297 WeakPolarHBondContact O-CG2 3.26Å; V293-V297 PolarHBondContact O-N 3.15Å; V297-A299 PolarHBondContact O-N 2.98Å; V297-T300 PolarHBondContact O-N 3.37Å; V297-T300 VanDerWaalsContact O-N 3.08Å; V297-T300 PolarHBondContact O-OG1 2.94Å
298L98.5Very high96.6Very high50 Ų5037.1 Ų37.126%0.26220%0.197SC..G310 helixtrans-65.9-17.8172.3-68.7177.4000113E259 L263 I294 T300E259-L298 HydrophobicContact CB-CD2 4.05Å; L263-L298 HydrophobicContact CD1-CD2 4.03Å; L263-L298 HydrophobicContact CD1-CG 3.85Å; I294-L298 HydrophobicContact CG2-CD1 3.71Å; I294-L298 HydrophobicContact CG2-CG 4.32Å; I294-L298 WeakPolarHBondContact O-CB 3.36Å; I294-L298 WeakPolarHBondContact O-CG 3.29Å; I294-L298 PolarHBondContact O-N 3.4Å; L298-T300 VanDerWaalsContact C-N 3.33Å
299A98.1Very high96.4Very high0 Ų035.4 Ų35.40%018%0.184CC..G310 helixtrans-79.7-14174.900000112.9M296 V297 D301 L308 R340M296-A299 VanDerWaalsContact O-CB 3.25Å; M296-A299 WeakPolarHBondContact O-CB 3.22Å; M296-A299 PolarHBondContact O-N 2.92Å; V297-A299 PolarHBondContact O-N 2.98Å; A299-D301 PolarHBondContact O-N 3.28Å; A299-L308 HydrophobicContact CB-CD1 3.95Å; A299-L308 HydrophobicContact CB-CD2 4.07Å; A299-L308 WeakPolarHBondContact O-CD1 3.44Å; A299-R340 HydrophobicContact CB-CB 3.84Å; A299-R340 HydrophobicContact CB-CG 3.99Å
300T98.4Very high96.1Very high6 Ų637.7 Ų37.74%0.03720%0.203CC..G310 helixtrans-80.9-3.7175.667.80000112.4H229 V297 L298 M302 V343H229-T300 HydrophobicContact CB-CG2 4.38Å; V297-T300 PolarHBondContact O-N 3.37Å; V297-T300 VanDerWaalsContact O-N 3.08Å; V297-T300 PolarHBondContact O-OG1 2.94Å; L298-T300 VanDerWaalsContact C-N 3.33Å; T300-M302 VanDerWaalsContact O-CE 3.27Å; T300-M302 WeakPolarHBondContact O-CE 3.45Å; T300-M302 PolarHBondContact O-N 3.34Å; T300-M302 VanDerWaalsContact O-N 3.11Å; T300-V343 HydrophobicContact CG2-CG1 3.97Å
301D98.3Very high95.7Very high10 Ų1035.8 Ų35.85%0.05320%0.199CC..  trans-64.1112.2167.9178.5-12.9000109.3S256 E259 A299 S303 K304S256-D301 WeakPolarHBondContact CB-OD2 3.48Å; S256-D301 PolarHBondContact OG-OD2 3.33Å; E259-D301 HydrophobicContact CG-CB 3.83Å; A299-D301 PolarHBondContact O-N 3.28Å; D301-S303 PolarHBondContact O-N 3.01Å; D301-S303 VanDerWaalsContact O-N 3.07Å; D301-S303 VanDerWaalsContact OD1-CB 3.23Å; D301-S303 WeakPolarHBondContact OD1-CB 3.31Å; D301-S303 PolarHBondContact OD1-N 3.43Å; D301-S303 PolarHBondContact OD1-OG 2.97Å; D301-S303 PolarHBondContact OD2-OG 3.5Å; D301-S303 VanDerWaalsContact OD2-OG 3.04Å; D301-K304 HydrophobicContact CB-CG 3.99Å; D301-K304 WeakPolarHBondContact O-CB 3.38Å; D301-K304 PolarHBondContact O-N 3.4Å
302M94.4Very high95.5Very high82 Ų8233.1 Ų33.140%0.40419%0.188SC..G310 helixtrans-60.5-21.4-176.8-67-65.1133.400113.5T300 K304 H305 H344 D347 L348T300-M302 VanDerWaalsContact O-CE 3.27Å; T300-M302 WeakPolarHBondContact O-CE 3.45Å; T300-M302 PolarHBondContact O-N 3.34Å; T300-M302 VanDerWaalsContact O-N 3.11Å; M302-K304 PolarHBondContact O-N 3.4Å; M302-H305 VanDerWaalsContact O-CB 3.31Å; M302-H305 WeakPolarHBondContact O-CB 3.31Å; M302-H305 PolarHBondContact O-N 2.92Å; M302-H344 VanDerWaalsContact CE-CE1 3.45Å; M302-H344 WeakPolarHBondContact CE-CE1 3.16Å; M302-D347 WeakPolarHBondContact CE-OD2 3.47Å; M302-L348 HydrophobicContact CE-CD1 4.36Å; M302-L348 HydrophobicContact CE-CD2 4.07Å; M302-L348 HydrophobicContact CE-CG 4.18Å; M302-L348 HydrophobicContact SD-CD1 4.17Å; M302-L348 HydrophobicContact SD-CD2 3.94Å; M302-L348 HydrophobicContact SD-CG 4.39Å
303S93.4Very high95.2Very high85 Ų8537.4 Ų37.459%0.59421%0.206SC*.G310 helixtrans-65-19.6172.175.10000113D301D301-S303 PolarHBondContact O-N 3.01Å; D301-S303 VanDerWaalsContact O-N 3.07Å; D301-S303 VanDerWaalsContact OD1-CB 3.23Å; D301-S303 WeakPolarHBondContact OD1-CB 3.31Å; D301-S303 PolarHBondContact OD1-N 3.43Å; D301-S303 PolarHBondContact OD1-OG 2.97Å; D301-S303 PolarHBondContact OD2-OG 3.5Å; D301-S303 VanDerWaalsContact OD2-OG 3.04Å
304K92.8Very high94.8Very high71 Ų7141.2 Ų41.231%0.30923%0.229SC..G310 helixtrans-93.1-4.2179.2-48-53.6179.9-156.50113.2D301 M302 M306 S307 L308D301-K304 HydrophobicContact CB-CG 3.99Å; D301-K304 WeakPolarHBondContact O-CB 3.38Å; D301-K304 PolarHBondContact O-N 3.4Å; M302-K304 PolarHBondContact O-N 3.4Å; K304-M306 VanDerWaalsContact C-N 3.32Å; K304-M306 PolarHBondContact O-N 2.8Å; K304-S307 WeakPolarHBondContact O-CB 3.45Å; K304-S307 PolarHBondContact O-N 3.17Å; K304-L308 PolarHBondContact O-N 3.46Å; K304-L308 VanDerWaalsContact O-N 3.07Å
305H96Very high94.5Very high7 Ų739.7 Ų39.73%0.03222%0.222CC..Hα-helixtrans-49.2-48.8-175.2174.5100.5000112.8M302 S307 L308 L309 H344 I405M302-H305 VanDerWaalsContact O-CB 3.31Å; M302-H305 WeakPolarHBondContact O-CB 3.31Å; M302-H305 PolarHBondContact O-N 2.92Å; H305-S307 VanDerWaalsContact C-N 3.32Å; H305-S307 PolarHBondContact O-N 2.96Å; H305-L308 PolarHBondContact O-N 2.78Å; H305-L309 WeakPolarHBondContact O-CB 3.47Å; H305-L309 PolarHBondContact O-N 2.75Å; H305-H344 AromaticContact CG-NE2 3.73Å; H305-H344 AromaticContact ND1-CE1 3.93Å; H305-H344 AromaticContact ND1-NE2 3.09Å; H305-H344 PolarHBondContact ND1-NE2 3.21Å; H305-I405 VanDerWaalsContact CE1-CG2 3.44Å; H305-I405 WeakPolarHBondContact CE1-CG2 3.19Å; H305-I405 PolarHBondContact CE1-O 2.73Å
306M90.1Very high94.2Very high111 Ų11139.1 Ų39.155%0.54722%0.22SC..Hα-helixtrans-66.5-33.1-177.1-65.5-60.1156.100112.9K304 L309 A310 I405K304-M306 VanDerWaalsContact C-N 3.32Å; K304-M306 PolarHBondContact O-N 2.8Å; M306-L309 HydrophobicContact SD-CD2 4.47Å; M306-A310 WeakPolarHBondContact O-CB 3.4Å; M306-A310 PolarHBondContact O-N 3.4Å; M306-I405 HydrophobicContact CE-CD1 3.83Å
307S91.9Very high93.8Very high68 Ų6846.8 Ų46.848%0.47626%0.255SS..Hα-helixtrans-67.4-41.8173.8-176.60000111.3K304 H305 A310 D311K304-S307 WeakPolarHBondContact O-CB 3.45Å; K304-S307 PolarHBondContact O-N 3.17Å; H305-S307 VanDerWaalsContact C-N 3.32Å; H305-S307 PolarHBondContact O-N 2.96Å; S307-A310 PolarHBondContact O-N 2.84Å; S307-D311 VanDerWaalsContact O-CG 3.32Å; S307-D311 PolarHBondContact O-N 3.49Å
308L93.7Very high93.3Very high1 Ų151.3 Ų51.31%0.00528%0.283CS..Hα-helixtrans-65.3-42.3177.7-68.2170000111.7A299 K304 H305 D311 L312 R340 N341 H344A299-L308 HydrophobicContact CB-CD1 3.95Å; A299-L308 HydrophobicContact CB-CD2 4.07Å; A299-L308 WeakPolarHBondContact O-CD1 3.44Å; K304-L308 PolarHBondContact O-N 3.46Å; K304-L308 VanDerWaalsContact O-N 3.07Å; H305-L308 PolarHBondContact O-N 2.78Å; L308-D311 PolarHBondContact O-N 3.16Å; L308-L312 WeakPolarHBondContact O-CB 3.4Å; L308-L312 PolarHBondContact O-N 3.12Å; L308-R340 HydrophobicContact CD2-CB 4.26Å; L308-N341 PolarHBondContact O-ND2 3.04Å; L308-N341 PolarHBondContact O-OD1 2.95Å; L308-H344 HydrophobicContact CD1-CB 4.35Å
309L93.5Very high92.8Very high14 Ų1452.7 Ų52.77%0.07329%0.287CS..Hα-helixtrans-63.6-42.6176.5-177.858.7000111.7H305 M306 L312 K313 P408 T412H305-L309 WeakPolarHBondContact O-CB 3.47Å; H305-L309 PolarHBondContact O-N 2.75Å; M306-L309 HydrophobicContact SD-CD2 4.47Å; L309-L312 PolarHBondContact O-N 3.34Å; L309-K313 WeakPolarHBondContact O-CG 3.49Å; L309-K313 PolarHBondContact O-N 2.67Å; L309-P408 HydrophobicContact CD2-CB 4.06Å; L309-T412 HydrophobicContact CD1-CG2 4.4Å; L309-T412 WeakPolarHBondContact CD1-OG1 3.48Å
310A91.8Very high92.2Very high50 Ų5058.3 Ų58.341%0.41331%0.311SS..Hα-helixtrans-61.9-48.4175.600000111.6M306 S307 L312 K313 T314M306-A310 WeakPolarHBondContact O-CB 3.4Å; M306-A310 PolarHBondContact O-N 3.4Å; S307-A310 PolarHBondContact O-N 2.84Å; A310-L312 VanDerWaalsContact C-N 3.27Å; A310-L312 PolarHBondContact O-N 3.4Å; A310-K313 PolarHBondContact O-N 3.48Å; A310-T314 PolarHBondContact O-N 3.04Å; A310-T314 PolarHBondContact O-OG1 2.97Å
311D89.5Confident91.8Very high49 Ų4961.4 Ų61.426%0.26233%0.33SS..Hα-helixtrans-57.5-42175.8-73.5-12.6000111.3S307 L308 M315S307-D311 VanDerWaalsContact O-CG 3.32Å; S307-D311 PolarHBondContact O-N 3.49Å; L308-D311 PolarHBondContact O-N 3.16Å; D311-M315 PolarHBondContact O-N 3.34Å
312L92.9Very high91.2Very high1 Ų163 Ų631%0.00534%0.34CS..Hα-helixtrans-66.5-43.2179.1-170.264.1000111.9L308 L309 A310 M315 V316 N341 L409 T412 W413 L416L308-L312 WeakPolarHBondContact O-CB 3.4Å; L308-L312 PolarHBondContact O-N 3.12Å; L309-L312 PolarHBondContact O-N 3.34Å; A310-L312 VanDerWaalsContact C-N 3.27Å; A310-L312 PolarHBondContact O-N 3.4Å; L312-M315 WeakPolarHBondContact O-CB 3.49Å; L312-M315 PolarHBondContact O-N 3.32Å; L312-M315 VanDerWaalsContact O-N 3.13Å; L312-V316 WeakPolarHBondContact O-CG2 3.42Å; L312-V316 PolarHBondContact O-N 3.25Å; L312-N341 HydrophobicContact CD1-CB 4.08Å; L312-N341 HydrophobicContact CD2-CB 4.34Å; L312-L409 HydrophobicContact CD2-CD1 4.27Å; L312-T412 HydrophobicContact CB-CG2 4.13Å; L312-T412 HydrophobicContact CD2-CG2 3.84Å; L312-T412 HydrophobicContact CG-CG2 3.69Å; L312-W413 HydrophobicContact CD2-CB 4.45Å; L312-L416 HydrophobicContact CD1-CD2 3.76Å
313K92.8Very high90.6Very high97 Ų9765.7 Ų65.742%0.42237%0.368SS..Hα-helixtrans-60.3-47.2175.9-77-175.8175.8-169.90111.7L309 A310 M315 V316 E317 T412L309-K313 WeakPolarHBondContact O-CG 3.49Å; L309-K313 PolarHBondContact O-N 2.67Å; A310-K313 PolarHBondContact O-N 3.48Å; K313-M315 PolarHBondContact O-N 3.41Å; K313-V316 WeakPolarHBondContact O-CB 3.38Å; K313-V316 PolarHBondContact O-N 3.38Å; K313-V316 VanDerWaalsContact O-N 3.09Å; K313-E317 WeakPolarHBondContact O-CG 3.45Å; K313-E317 PolarHBondContact O-N 2.97Å; K313-T412 HydrophobicContact CB-CG2 4.32Å; K313-T412 HydrophobicContact CG-CG2 3.54Å
314T91.4Very high90.2Very high79 Ų7966.1 Ų66.149%0.48537%0.37SS..Hα-helixtrans-59.4-36.1174.6-610000111.9A310 E317 T318A310-T314 PolarHBondContact O-N 3.04Å; A310-T314 PolarHBondContact O-OG1 2.97Å; T314-E317 PolarHBondContact O-N 2.98Å; T314-T318 WeakPolarHBondContact O-CG2 3.32Å; T314-T318 PolarHBondContact O-N 3.47Å; T314-T318 VanDerWaalsContact O-N 3.11Å; T314-T318 PolarHBondContact O-OG1 2.88Å
315M90.7Very high89.9Confident13 Ų1364.7 Ų64.76%0.06438%0.376CS..Hα-helixtrans-67.6-39.2175.3-171.1173.6-6500112.6D311 L312 K313 E317 T318 K319 L329 D334 Q337 V338 L416D311-M315 PolarHBondContact O-N 3.34Å; L312-M315 WeakPolarHBondContact O-CB 3.49Å; L312-M315 PolarHBondContact O-N 3.32Å; L312-M315 VanDerWaalsContact O-N 3.13Å; K313-M315 PolarHBondContact O-N 3.41Å; M315-E317 VanDerWaalsContact C-N 3.35Å; M315-T318 CarbonylContact O-C 3.58Å; M315-T318 PolarHBondContact O-N 3.45Å; M315-K319 WeakPolarHBondContact O-CA 3.49Å; M315-K319 WeakPolarHBondContact O-CB 3.34Å; M315-K319 PolarHBondContact O-N 2.98Å; M315-L329 HydrophobicContact SD-CD2 4.28Å; M315-D334 HydrophobicContact CE-CB 4.19Å; M315-D334 WeakPolarHBondContact CE-O 3.42Å; M315-Q337 HydrophobicContact CE-CB 3.54Å; M315-Q337 HydrophobicContact CE-CG 4.46Å; M315-V338 HydrophobicContact CE-CG2 3.98Å; M315-V338 HydrophobicContact SD-CG2 3.2Å; M315-V338 WeakPolarHBondContact SD-CG2 3.48Å; M315-L416 HydrophobicContact CG-CD1 4.17Å; M315-L416 HydrophobicContact SD-CD1 4.46Å; M315-L416 HydrophobicContact SD-CD2 4.45Å
316V92.3Very high89.6Confident28 Ų2865.6 Ų65.617%0.1738%0.382CS..Hα-helixtrans-60.9-44.4174.4171.10000110.9L312 K313 T318 K319 T412 D415 L416L312-V316 WeakPolarHBondContact O-CG2 3.42Å; L312-V316 PolarHBondContact O-N 3.25Å; K313-V316 WeakPolarHBondContact O-CB 3.38Å; K313-V316 PolarHBondContact O-N 3.38Å; K313-V316 VanDerWaalsContact O-N 3.09Å; V316-T318 VanDerWaalsContact C-N 3.3Å; V316-T318 PolarHBondContact O-N 2.91Å; V316-K319 VanDerWaalsContact O-CG 3.27Å; V316-K319 WeakPolarHBondContact O-CG 3.31Å; V316-K319 PolarHBondContact O-N 3.45Å; V316-T412 HydrophobicContact CG2-CG2 3.95Å; V316-T412 WeakPolarHBondContact CG2-O 3.33Å; V316-D415 HydrophobicContact CG1-CB 3.87Å; V316-D415 HydrophobicContact CG2-CB 4.29Å; V316-L416 HydrophobicContact CG2-CB 3.84Å; V316-L416 HydrophobicContact CG2-CD1 4.18Å
317E90.8Very high89.6Confident160 Ų16060.7 Ų60.775%0.74836%0.358SS*.Hα-helixtrans-64.4-34.2179.1-69.8172.7-179.600112.9K313 T314 M315K313-E317 WeakPolarHBondContact O-CG 3.45Å; K313-E317 PolarHBondContact O-N 2.97Å; T314-E317 PolarHBondContact O-N 2.98Å; M315-E317 VanDerWaalsContact C-N 3.35Å
318T88.4Confident89.4Confident96 Ų9661.2 Ų61.259%0.58936%0.355SS*.THydrogen-bonded Turntrans-100.96.7-176.759.50000113.6T314 M315 V316 K320T314-T318 WeakPolarHBondContact O-CG2 3.32Å; T314-T318 PolarHBondContact O-N 3.47Å; T314-T318 VanDerWaalsContact O-N 3.11Å; T314-T318 PolarHBondContact O-OG1 2.88Å; M315-T318 CarbonylContact O-C 3.58Å; M315-T318 PolarHBondContact O-N 3.45Å; V316-T318 VanDerWaalsContact C-N 3.3Å; V316-T318 PolarHBondContact O-N 2.91Å; T318-K320 PolarHBondContact O-N 3.23Å
319K86.8Confident89.2Confident79 Ų7962.1 Ų62.134%0.34336%0.36SS..  trans-61.6134.5-172.275.8-176.2177.1174.40111.6M315 V316 V321 L327 D415 L416M315-K319 WeakPolarHBondContact O-CA 3.49Å; M315-K319 WeakPolarHBondContact O-CB 3.34Å; M315-K319 PolarHBondContact O-N 2.98Å; V316-K319 VanDerWaalsContact O-CG 3.27Å; V316-K319 WeakPolarHBondContact O-CG 3.31Å; V316-K319 PolarHBondContact O-N 3.45Å; K319-V321 HydrophobicContact CD-CG2 4.4Å; K319-V321 HydrophobicContact CG-CG2 4.25Å; K319-L327 HydrophobicContact CB-CD1 3.84Å; K319-D415 PolarHBondContact NZ-O 2.91Å; K319-L416 HydrophobicContact CB-CD1 4.49Å
320K87.3Confident88.6Confident117 Ų11766.5 Ų66.551%0.50938%0.383SS..  trans-107.4130.2171.3-62.8178.3-163.5162.90108.3T318 L328 D330T318-K320 PolarHBondContact O-N 3.23Å; K320-L328 HydrophobicContact CB-CB 4.07Å; K320-L328 HydrophobicContact CB-CD1 4.42Å; K320-L328 PolarHBondContact O-N 3.03Å; K320-D330 IonicContact NZ-OD2 3.31Å; K320-D330 PolarHBondContact NZ-OD2 3.21Å
321V88.4Confident88.4Confident72 Ų7267.3 Ų67.344%0.43638%0.381SS..BIsolated β-bridgetrans-121.5138.7-178-171.20000108.8K319 G325 V326K319-V321 HydrophobicContact CD-CG2 4.4Å; K319-V321 HydrophobicContact CG-CG2 4.25Å; V321-G325 VanDerWaalsContact CG1-CA 3.42Å; V321-V326 CarbonylContact C-O 3.54Å; V321-V326 WeakPolarHBondContact CA-O 3.29Å
322T86.6Confident88.3Confident43 Ų4368.2 Ų68.226%0.26438%0.381SS..  trans-68.4168.9172.467.30000111S324 G325 V326 L328T322-S324 PolarHBondContact O-N 2.93Å; T322-S324 VanDerWaalsContact O-N 3.09Å; T322-S324 PolarHBondContact OG1-N 3.38Å; T322-S324 PolarHBondContact OG1-OG 2.78Å; T322-G325 PolarHBondContact O-N 3.37Å; T322-V326 HydrophobicContact CG2-CB 4.42Å; T322-V326 PolarHBondContact N-O 3.28Å; T322-V326 PolarHBondContact OG1-N 3.04Å; T322-V326 VanDerWaalsContact OG1-N 3.15Å; T322-V326 PolarHBondContact OG1-O 3.29Å; T322-L328 HydrophobicContact CG2-CD1 3.94Å; T322-L328 HydrophobicContact CG2-CD2 3.52Å; T322-L328 HydrophobicContact CG2-CG 3.62Å
323S82.6Confident88.2Confident139 Ų13971.8 Ų71.897%0.97240%0.403SS*.THydrogen-bonded Turntrans-61.6-15.5171.353.70000114
324S84.3Confident88.1Confident93 Ų9369.3 Ų69.365%0.6539%0.394SS*.THydrogen-bonded Turntrans-94.84.1176.664.30000113.8T322T322-S324 PolarHBondContact O-N 2.93Å; T322-S324 VanDerWaalsContact O-N 3.09Å; T322-S324 PolarHBondContact OG1-N 3.38Å; T322-S324 PolarHBondContact OG1-OG 2.78Å
325G86Confident88.2Confident42 Ų4267.2 Ų67.243%0.43338%0.378SS..SBendtrans85.56.918000000115V321 T322V321-G325 VanDerWaalsContact CG1-CA 3.42Å; T322-G325 PolarHBondContact O-N 3.37Å
326V90.8Very high88.5Confident26 Ų2667.1 Ų67.116%0.15838%0.377CS..  trans-89.5137.9-178.4177.50000110.6D211 V213 V321 T322D211-V326 WeakPolarHBondContact O-CG1 3.46Å; V213-V326 HydrophobicContact CG2-CG1 3.77Å; V321-V326 CarbonylContact C-O 3.54Å; V321-V326 WeakPolarHBondContact CA-O 3.29Å; T322-V326 HydrophobicContact CG2-CB 4.42Å; T322-V326 PolarHBondContact N-O 3.28Å; T322-V326 PolarHBondContact OG1-N 3.04Å; T322-V326 VanDerWaalsContact OG1-N 3.15Å; T322-V326 PolarHBondContact OG1-O 3.29Å
327L89.4Confident88.7Confident7 Ų767.8 Ų67.84%0.03738%0.378CS..BIsolated β-bridgetrans-69.7131.7179.5-165.669.4000111.4A209 L210 V213 K319 L329 L416A209-L327 WeakPolarHBondContact O-CB 3.44Å; A209-L327 PolarHBondContact O-N 3.27Å; L210-L327 HydrophobicContact CD2-CB 4.23Å; L210-L327 HydrophobicContact CD2-CD2 3.85Å; V213-L327 VanDerWaalsContact CG2-O 3.27Å; V213-L327 WeakPolarHBondContact CG2-O 3.37Å; K319-L327 HydrophobicContact CB-CD1 3.84Å; L327-L329 HydrophobicContact CD2-CD1 4.28Å; L327-L329 HydrophobicContact CD2-CD2 3.74Å; L327-L329 HydrophobicContact CD2-CG 4.08Å; L327-L329 HydrophobicContact CG-CD2 3.97Å; L327-L329 HydrophobicContact CG-CG 4.25Å; L327-L416 HydrophobicContact CD1-CD1 4.06Å; L327-L416 HydrophobicContact CD2-CD1 3.88Å; L327-L416 HydrophobicContact CD2-CD2 4.31Å; L327-L416 HydrophobicContact CD2-CG 4.11Å
328L88.1Confident89Confident79 Ų7960.1 Ų60.141%0.41434%0.343SS..  trans-97.8110.8175.3-70.7173.8000110.3K320 T322K320-L328 HydrophobicContact CB-CB 4.07Å; K320-L328 HydrophobicContact CB-CD1 4.42Å; K320-L328 PolarHBondContact O-N 3.03Å; T322-L328 HydrophobicContact CG2-CD1 3.94Å; T322-L328 HydrophobicContact CG2-CD2 3.52Å; T322-L328 HydrophobicContact CG2-CG 3.62Å
329L88.6Confident89.5Confident20 Ų2055.6 Ų55.611%0.10532%0.315CS..  trans-111.1101.2174.8-56.9-179.2000109.5V213 F214 M315 L327 D334 R335 V338V213-L329 HydrophobicContact CG1-CB 4.23Å; V213-L329 HydrophobicContact CG1-CD1 3.64Å; V213-L329 HydrophobicContact CG1-CG 4Å; F214-L329 HydrophobicContact CE1-CD1 4.19Å; F214-L329 HydrophobicContact CZ-CD1 4.25Å; M315-L329 HydrophobicContact SD-CD2 4.28Å; L327-L329 HydrophobicContact CD2-CD1 4.28Å; L327-L329 HydrophobicContact CD2-CD2 3.74Å; L327-L329 HydrophobicContact CD2-CG 4.08Å; L327-L329 HydrophobicContact CG-CD2 3.97Å; L327-L329 HydrophobicContact CG-CG 4.25Å; L329-D334 HydrophobicContact CB-CB 4.37Å; L329-D334 HydrophobicContact CD2-CB 4.02Å; L329-R335 HydrophobicContact CB-CG 3.61Å; L329-R335 HydrophobicContact CD1-CG 4.16Å; L329-V338 HydrophobicContact CD1-CB 4.18Å; L329-V338 HydrophobicContact CD1-CG2 3.67Å; L329-V338 HydrophobicContact CD2-CG2 4.19Å
330D80.5Confident90Very high107 Ų10754.5 Ų54.557%0.57231%0.309SS*.  trans-76.9-28.6-166.7-69.1-34.4000112.9K320K320-D330 IonicContact NZ-OD2 3.31Å; K320-D330 PolarHBondContact NZ-OD2 3.21Å
331N87.3Confident90.5Very high67 Ų6749 Ų4936%0.35829%0.285SS..SBendtrans-135.4166.3-170.575.167.7000112.9T333 D334 R335N331-T333 VanDerWaalsContact C-N 3.3Å; N331-T333 PolarHBondContact O-N 3.44Å; N331-T333 WeakPolarHBondContact OD1-CA 3.35Å; N331-T333 WeakPolarHBondContact OD1-CB 3.37Å; N331-T333 PolarHBondContact OD1-N 2.85Å; N331-D334 PolarHBondContact ND2-OD1 3.09Å; N331-D334 PolarHBondContact ND2-OD2 3.1Å; N331-D334 PolarHBondContact O-N 3.22Å; N331-D334 PolarHBondContact OD1-N 3.24Å; N331-D334 VanDerWaalsContact OD1-N 3.11Å; N331-D334 PolarHBondContact OD1-OD1 2.8Å; N331-R335 VanDerWaalsContact O-CD 3.3Å; N331-R335 WeakPolarHBondContact O-CD 3.34Å; N331-R335 WeakPolarHBondContact O-CG 3.48Å; N331-R335 PolarHBondContact O-N 3.08Å
332Y88.8Confident91Very high67 Ų6745.6 Ų45.626%0.26326%0.264SS..Hα-helixtrans-59-38.6-179.3172.2-93.3000113.2K291 M292 D295 R335 I336K291-Y332 WeakPolarHBondContact CE-OH 3.27Å; M292-Y332 HydrophobicContact CG-CE2 3.79Å; M292-Y332 HydrophobicContact SD-CE2 4.19Å; D295-Y332 PolarHBondContact OD2-OH 3.31Å; Y332-R335 PolarHBondContact O-N 3.32Å; Y332-I336 HydrophobicContact CD1-CG2 4.19Å; Y332-I336 HydrophobicContact CE1-CB 4.09Å; Y332-I336 HydrophobicContact CE1-CG2 3.76Å; Y332-I336 HydrophobicContact CE2-CB 4.4Å; Y332-I336 WeakPolarHBondContact O-CG2 3.2Å; Y332-I336 PolarHBondContact O-N 3.09Å
333T89.4Confident91.6Very high76 Ų7643.5 Ų43.547%0.46625%0.251SS..Hα-helixtrans-62-47.7-177.1-52.50000111N331 R335 I336 Q337N331-T333 VanDerWaalsContact C-N 3.3Å; N331-T333 PolarHBondContact O-N 3.44Å; N331-T333 WeakPolarHBondContact OD1-CA 3.35Å; N331-T333 WeakPolarHBondContact OD1-CB 3.37Å; N331-T333 PolarHBondContact OD1-N 2.85Å; T333-R335 VanDerWaalsContact C-N 3.32Å; T333-R335 PolarHBondContact O-N 3.07Å; T333-I336 VanDerWaalsContact O-CG2 3.32Å; T333-I336 WeakPolarHBondContact O-CG2 3.12Å; T333-I336 PolarHBondContact O-N 3.21Å; T333-Q337 WeakPolarHBondContact O-CB 3.33Å; T333-Q337 VanDerWaalsContact O-CG 3.3Å; T333-Q337 WeakPolarHBondContact O-CG 3.33Å; T333-Q337 PolarHBondContact O-N 3.07Å
334D90.8Very high92.3Very high46 Ų4636.9 Ų36.925%0.24621%0.205CC..Hα-helixtrans-63.8-42.4178.5-46.9-12.3000110.1M315 L329 N331 Q337 V338M315-D334 HydrophobicContact CE-CB 4.19Å; M315-D334 WeakPolarHBondContact CE-O 3.42Å; L329-D334 HydrophobicContact CB-CB 4.37Å; L329-D334 HydrophobicContact CD2-CB 4.02Å; N331-D334 PolarHBondContact ND2-OD1 3.09Å; N331-D334 PolarHBondContact ND2-OD2 3.1Å; N331-D334 PolarHBondContact O-N 3.22Å; N331-D334 PolarHBondContact OD1-N 3.24Å; N331-D334 VanDerWaalsContact OD1-N 3.11Å; N331-D334 PolarHBondContact OD1-OD1 2.8Å; D334-Q337 PolarHBondContact O-N 3.03Å; D334-V338 PolarHBondContact O-N 3.18Å; D334-V338 VanDerWaalsContact O-N 3.08Å
335R95.2Very high93Very high35 Ų3532.5 Ų32.513%0.13217%0.174CC..Hα-helixtrans-63.9-46.1-179.3-63.5166.474.377.70.2112.2V213 F214 E218 L329 N331 Y332 T333 Q337 V338 L339V213-R335 PolarHBondContact O-NH1 3.03Å; V213-R335 PolarHBondContact O-NH2 2.78Å; F214-R335 HydrophobicContact CE1-CB 4.49Å; E218-R335 VanDerWaalsContact CD-NH2 3.32Å; E218-R335 IonicContact OE1-CZ 2.66Å; E218-R335 IonicContact OE1-NE 3.23Å; E218-R335 PolarHBondContact OE1-NE 3.4Å; E218-R335 IonicContact OE1-NH2 3.83Å; E218-R335 PolarHBondContact OE1-NH2 2.81Å; E218-R335 IonicContact OE2-CZ 3.55Å; E218-R335 IonicContact OE2-NE 2.73Å; E218-R335 IonicContact OE2-NH2 3.53Å; E218-R335 PolarHBondContact OE2-NH2 3.5Å; L329-R335 HydrophobicContact CB-CG 3.61Å; L329-R335 HydrophobicContact CD1-CG 4.16Å; N331-R335 VanDerWaalsContact O-CD 3.3Å; N331-R335 WeakPolarHBondContact O-CD 3.34Å; N331-R335 WeakPolarHBondContact O-CG 3.48Å; N331-R335 PolarHBondContact O-N 3.08Å; Y332-R335 PolarHBondContact O-N 3.32Å; T333-R335 VanDerWaalsContact C-N 3.32Å; T333-R335 PolarHBondContact O-N 3.07Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; R335-V338 PolarHBondContact O-N 3.37Å; R335-L339 VanDerWaalsContact O-CG 3.3Å; R335-L339 WeakPolarHBondContact O-CG 3.28Å; R335-L339 PolarHBondContact O-N 2.91Å
336I96.3Very high93.6Very high11 Ų1130.5 Ų30.56%0.05615%0.153CC..Hα-helixtrans-70.3-32.2178.9-16657.6000111.6M292 D295 M296 Y332 T333 L339 R340M292-I336 HydrophobicContact CB-CD1 4Å; M292-I336 HydrophobicContact CG-CD1 4.1Å; D295-I336 HydrophobicContact CB-CD1 4.02Å; D295-I336 HydrophobicContact CB-CG1 3.78Å; M296-I336 HydrophobicContact CG-CD1 4.13Å; Y332-I336 HydrophobicContact CD1-CG2 4.19Å; Y332-I336 HydrophobicContact CE1-CB 4.09Å; Y332-I336 HydrophobicContact CE1-CG2 3.76Å; Y332-I336 HydrophobicContact CE2-CB 4.4Å; Y332-I336 WeakPolarHBondContact O-CG2 3.2Å; Y332-I336 PolarHBondContact O-N 3.09Å; T333-I336 VanDerWaalsContact O-CG2 3.32Å; T333-I336 WeakPolarHBondContact O-CG2 3.12Å; T333-I336 PolarHBondContact O-N 3.21Å; I336-L339 HydrophobicContact CD1-CB 4.4Å; I336-L339 PolarHBondContact O-N 3.27Å; I336-R340 HydrophobicContact CD1-CG 4.45Å; I336-R340 HydrophobicContact CG1-CG 4.24Å; I336-R340 WeakPolarHBondContact O-CB 3.14Å; I336-R340 WeakPolarHBondContact O-CG 3.03Å; I336-R340 PolarHBondContact O-N 3.02Å
337Q95.2Very high94Very high41 Ų4129.9 Ų29.919%0.19215%0.149CC..Hα-helixtrans-62.1-43.7173.3-81.2175.8-0.700111.9M315 T333 D334 R335 N341M315-Q337 HydrophobicContact CE-CB 3.54Å; M315-Q337 HydrophobicContact CE-CG 4.46Å; T333-Q337 WeakPolarHBondContact O-CB 3.33Å; T333-Q337 VanDerWaalsContact O-CG 3.3Å; T333-Q337 WeakPolarHBondContact O-CG 3.33Å; T333-Q337 PolarHBondContact O-N 3.07Å; D334-Q337 PolarHBondContact O-N 3.03Å; R335-Q337 VanDerWaalsContact C-N 3.34Å; Q337-N341 PolarHBondContact O-N 2.83Å; Q337-N341 VanDerWaalsContact O-N 3.08Å; Q337-N341 PolarHBondContact O-ND2 3.02Å
338V97.4Very high94.5Very high0 Ų030.1 Ų30.10%015%0.151CC..Hα-helixtrans-63.5-45.6174179.40000111.1L210 F214 M315 L329 D334 R335 R340 N341 M342 W413 L416L210-V338 HydrophobicContact CD2-CG1 4.45Å; F214-V338 HydrophobicContact CZ-CB 4.14Å; F214-V338 HydrophobicContact CZ-CG1 3.76Å; M315-V338 HydrophobicContact CE-CG2 3.98Å; M315-V338 HydrophobicContact SD-CG2 3.2Å; M315-V338 WeakPolarHBondContact SD-CG2 3.48Å; L329-V338 HydrophobicContact CD1-CB 4.18Å; L329-V338 HydrophobicContact CD1-CG2 3.67Å; L329-V338 HydrophobicContact CD2-CG2 4.19Å; D334-V338 PolarHBondContact O-N 3.18Å; D334-V338 VanDerWaalsContact O-N 3.08Å; R335-V338 PolarHBondContact O-N 3.37Å; V338-R340 PolarHBondContact O-N 2.91Å; V338-N341 PolarHBondContact O-N 3.44Å; V338-M342 VanDerWaalsContact O-CB 3.29Å; V338-M342 WeakPolarHBondContact O-CB 3.21Å; V338-M342 PolarHBondContact O-N 3.4Å; V338-W413 HydrophobicContact CG1-CH2 4.15Å; V338-W413 HydrophobicContact CG1-CZ3 4.13Å; V338-L416 HydrophobicContact CG1-CD2 4.47Å; V338-L416 HydrophobicContact CG2-CD2 4.23Å
339L98.5Very high95Very high1 Ų126.4 Ų26.41%0.00513%0.131CC..Hα-helixtrans-65-38.1-178.8-68.1170000112.8L205 F214 E218 A222 M296 R335 I336 M342 V343L205-L339 HydrophobicContact CD2-CD2 4.06Å; F214-L339 HydrophobicContact CD1-CD1 4.06Å; F214-L339 HydrophobicContact CD1-CD2 3.82Å; F214-L339 HydrophobicContact CD1-CG 4.02Å; F214-L339 HydrophobicContact CD2-CD2 4.29Å; F214-L339 HydrophobicContact CE1-CD1 4.07Å; F214-L339 HydrophobicContact CE1-CD2 3.66Å; F214-L339 HydrophobicContact CE1-CG 3.63Å; F214-L339 HydrophobicContact CE2-CD2 4.13Å; F214-L339 HydrophobicContact CG-CD2 4.14Å; F214-L339 HydrophobicContact CZ-CD2 3.83Å; F214-L339 HydrophobicContact CZ-CG 4.11Å; E218-L339 HydrophobicContact CB-CD1 3.91Å; E218-L339 HydrophobicContact CG-CD1 4.04Å; A222-L339 HydrophobicContact CB-CD2 4.15Å; M296-L339 HydrophobicContact CG-CB 4.38Å; M296-L339 HydrophobicContact SD-CB 3.79Å; R335-L339 VanDerWaalsContact O-CG 3.3Å; R335-L339 WeakPolarHBondContact O-CG 3.28Å; R335-L339 PolarHBondContact O-N 2.91Å; I336-L339 HydrophobicContact CD1-CB 4.4Å; I336-L339 PolarHBondContact O-N 3.27Å; L339-M342 PolarHBondContact O-N 3.46Å; L339-V343 PolarHBondContact O-N 3.24Å; L339-V343 VanDerWaalsContact O-N 3.11Å
340R98.3Very high95.5Very high56 Ų5626 Ų2621%0.21113%0.129CC..Hα-helixtrans-61.2-50.4173.2-73170.277.6-149.6-6.1111D295 M296 A299 L308 I336 V338 M342 V343 H344D295-R340 WeakPolarHBondContact O-CD 3.46Å; D295-R340 WeakPolarHBondContact O-CG 3.44Å; D295-R340 PolarHBondContact O-NE 3.38Å; D295-R340 VanDerWaalsContact O-NE 3.08Å; M296-R340 HydrophobicContact CG-CG 4.11Å; A299-R340 HydrophobicContact CB-CB 3.84Å; A299-R340 HydrophobicContact CB-CG 3.99Å; L308-R340 HydrophobicContact CD2-CB 4.26Å; I336-R340 HydrophobicContact CD1-CG 4.45Å; I336-R340 HydrophobicContact CG1-CG 4.24Å; I336-R340 WeakPolarHBondContact O-CB 3.14Å; I336-R340 WeakPolarHBondContact O-CG 3.03Å; I336-R340 PolarHBondContact O-N 3.02Å; V338-R340 PolarHBondContact O-N 2.91Å; R340-M342 VanDerWaalsContact C-N 3.29Å; R340-M342 PolarHBondContact O-N 3.41Å; R340-V343 PolarHBondContact O-N 2.86Å; R340-H344 WeakPolarHBondContact O-CB 3.46Å; R340-H344 PolarHBondContact O-N 3.12Å
341N98.2Very high96.3Very high1 Ų121 Ų211%0.00510%0.103CC..Hα-helixtrans-63.3-35.4177-84.2-71.8000112.3L308 L312 Q337 V338 H344 C345 W413L308-N341 PolarHBondContact O-ND2 3.04Å; L308-N341 PolarHBondContact O-OD1 2.95Å; L312-N341 HydrophobicContact CD1-CB 4.08Å; L312-N341 HydrophobicContact CD2-CB 4.34Å; Q337-N341 PolarHBondContact O-N 2.83Å; Q337-N341 VanDerWaalsContact O-N 3.08Å; Q337-N341 PolarHBondContact O-ND2 3.02Å; V338-N341 PolarHBondContact O-N 3.44Å; N341-H344 PolarHBondContact O-N 3.3Å; N341-C345 WeakPolarHBondContact O-CB 3.32Å; N341-C345 PolarHBondContact O-N 3.33Å; N341-C345 PolarHBondContact O-SG 3Å; N341-W413 HydrophobicContact CB-CZ3 4.46Å
342M98.6Very high96.9Very high0 Ų017.9 Ų17.90%09%0.086CC..Hα-helixtrans-63.2-48.1177.8-177.1-174.8-7200112.2T201 L204 L205 L210 F214 V338 L339 R340 H344 C345 A346 W413T201-M342 HydrophobicContact CG2-SD 4.38Å; L204-M342 HydrophobicContact CB-CE 4.29Å; L204-M342 HydrophobicContact CB-CG 3.6Å; L204-M342 HydrophobicContact CB-SD 3.95Å; L204-M342 HydrophobicContact CD1-CG 3.88Å; L204-M342 HydrophobicContact CG-CG 4.41Å; L205-M342 HydrophobicContact CB-SD 4.41Å; L205-M342 HydrophobicContact CD2-CE 3.95Å; L205-M342 HydrophobicContact CD2-SD 3.53Å; L205-M342 VanDerWaalsContact CD2-SD 3.53Å; L205-M342 HydrophobicContact CG-CE 4.32Å; L205-M342 HydrophobicContact CG-SD 3.53Å; L205-M342 VanDerWaalsContact CG-SD 3.53Å; L210-M342 HydrophobicContact CD1-CE 3.57Å; F214-M342 HydrophobicContact CE2-CE 3.99Å; V338-M342 VanDerWaalsContact O-CB 3.29Å; V338-M342 WeakPolarHBondContact O-CB 3.21Å; V338-M342 PolarHBondContact O-N 3.4Å; L339-M342 PolarHBondContact O-N 3.46Å; R340-M342 VanDerWaalsContact C-N 3.29Å; R340-M342 PolarHBondContact O-N 3.41Å; M342-H344 VanDerWaalsContact C-N 3.32Å; M342-C345 PolarHBondContact O-N 3.25Å; M342-A346 WeakPolarHBondContact O-CB 3.44Å; M342-A346 PolarHBondContact O-N 3.23Å; M342-W413 HydrophobicContact CB-CH2 3.66Å; M342-W413 HydrophobicContact CB-CZ3 3.96Å; M342-W413 HydrophobicContact CE-CH2 3.73Å; M342-W413 HydrophobicContact CE-CZ2 4.24Å; M342-W413 HydrophobicContact CG-CH2 3.9Å; M342-W413 HydrophobicContact CG-CZ2 4.37Å
343V98.8Very high97.3Very high0 Ų014.7 Ų14.70%07%0.073CC..Hα-helixtrans-65.6-39.1176.9176.90000110.3T201 M296 T300 L339 R340 A346 D347T201-V343 HydrophobicContact CG2-CG2 4.25Å; M296-V343 HydrophobicContact SD-CG2 3.99Å; T300-V343 HydrophobicContact CG2-CG1 3.97Å; L339-V343 PolarHBondContact O-N 3.24Å; L339-V343 VanDerWaalsContact O-N 3.11Å; R340-V343 PolarHBondContact O-N 2.86Å; V343-A346 WeakPolarHBondContact O-CB 3.43Å; V343-A346 PolarHBondContact O-N 2.95Å; V343-D347 WeakPolarHBondContact O-CB 3.49Å; V343-D347 PolarHBondContact O-N 3.47Å
344H98.7Very high97.8Very high0 Ų013.7 Ų13.70%07%0.069CC..Hα-helixtrans-63.2-41.2175-168.855.2000113M302 H305 L308 R340 N341 M342 D347 L348M302-H344 VanDerWaalsContact CE-CE1 3.45Å; M302-H344 WeakPolarHBondContact CE-CE1 3.16Å; H305-H344 AromaticContact CG-NE2 3.73Å; H305-H344 AromaticContact ND1-CE1 3.93Å; H305-H344 AromaticContact ND1-NE2 3.09Å; H305-H344 PolarHBondContact ND1-NE2 3.21Å; L308-H344 HydrophobicContact CD1-CB 4.35Å; R340-H344 WeakPolarHBondContact O-CB 3.46Å; R340-H344 PolarHBondContact O-N 3.12Å; N341-H344 PolarHBondContact O-N 3.3Å; M342-H344 VanDerWaalsContact C-N 3.32Å; H344-D347 PolarHBondContact O-N 3.25Å; H344-L348 WeakPolarHBondContact O-CB 3.42Å; H344-L348 PolarHBondContact O-N 3.16Å
345C98.8Very high98.1Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-63.9-42.4172.6-68.60000111.1L204 N341 M342 D347 L348 S349 W410L204-C345 HydrophobicContact CD1-CB 4.21Å; N341-C345 WeakPolarHBondContact O-CB 3.32Å; N341-C345 PolarHBondContact O-N 3.33Å; N341-C345 PolarHBondContact O-SG 3Å; M342-C345 PolarHBondContact O-N 3.25Å; C345-D347 VanDerWaalsContact C-N 3.31Å; C345-D347 PolarHBondContact O-N 3.09Å; C345-L348 CarbonylContact O-C 3.57Å; C345-L348 PolarHBondContact O-N 3.36Å; C345-S349 WeakPolarHBondContact O-CA 3.44Å; C345-S349 WeakPolarHBondContact O-CB 3.49Å; C345-S349 PolarHBondContact O-N 2.68Å; C345-W410 HydrophobicContact CB-CH2 4.1Å; C345-W410 HydrophobicContact CB-CZ2 3.95Å; C345-W410 WeakPolarHBondContact O-CZ2 3.45Å
346A98.8Very high98.3Very high0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-62-38.7176.900000112.3V197 T201 L204 M342 V343 S349V197-A346 HydrophobicContact CG1-CB 3.93Å; T201-A346 VanDerWaalsContact OG1-CB 3.28Å; T201-A346 WeakPolarHBondContact OG1-CB 3.41Å; L204-A346 HydrophobicContact CD1-CB 4.27Å; M342-A346 WeakPolarHBondContact O-CB 3.44Å; M342-A346 PolarHBondContact O-N 3.23Å; V343-A346 WeakPolarHBondContact O-CB 3.43Å; V343-A346 PolarHBondContact O-N 2.95Å; A346-S349 WeakPolarHBondContact O-CB 3.48Å; A346-S349 PolarHBondContact O-N 2.95Å; A346-S349 PolarHBondContact O-OG 3.48Å
347D98.8Very high98.4Very high13 Ų1318.2 Ų18.27%0.079%0.091CC..Hα-helixtrans-67.6-38.5175.1-169.828.1000112H193 V197 H229 M302 V343 H344 C345 S349H193-D347 IonicContact CE1-OD1 2.68Å; H193-D347 PolarHBondContact CE1-OD1 3.35Å; H193-D347 IonicContact NE2-OD1 2.7Å; H193-D347 PolarHBondContact NE2-OD1 3.4Å; V197-D347 HydrophobicContact CG1-CB 4.4Å; V197-D347 HydrophobicContact CG2-CB 4.44Å; H229-D347 IonicContact NE2-OD1 3.14Å; H229-D347 PolarHBondContact NE2-OD1 3.33Å; M302-D347 WeakPolarHBondContact CE-OD2 3.47Å; V343-D347 WeakPolarHBondContact O-CB 3.49Å; V343-D347 PolarHBondContact O-N 3.47Å; H344-D347 PolarHBondContact O-N 3.25Å; C345-D347 VanDerWaalsContact C-N 3.31Å; C345-D347 PolarHBondContact O-N 3.09Å; D347-S349 VanDerWaalsContact C-N 3.28Å; D347-S349 PolarHBondContact O-N 3.09Å
348L98.6Very high98.6Very high13 Ų1316.3 Ų16.37%0.0688%0.083CC..THydrogen-bonded Turntrans-91.729.6174.9-61.6175.4000113.4M302 H344 C345 F401 I405 L409 W410M302-L348 HydrophobicContact CE-CD1 4.36Å; M302-L348 HydrophobicContact CE-CD2 4.07Å; M302-L348 HydrophobicContact CE-CG 4.18Å; M302-L348 HydrophobicContact SD-CD1 4.17Å; M302-L348 HydrophobicContact SD-CD2 3.94Å; M302-L348 HydrophobicContact SD-CG 4.39Å; H344-L348 WeakPolarHBondContact O-CB 3.42Å; H344-L348 PolarHBondContact O-N 3.16Å; C345-L348 CarbonylContact O-C 3.57Å; C345-L348 PolarHBondContact O-N 3.36Å; L348-F401 HydrophobicContact CD2-CE2 4.36Å; L348-F401 HydrophobicContact CD2-CZ 3.74Å; L348-I405 HydrophobicContact CD1-CG2 4.32Å; L348-L409 HydrophobicContact CB-CD2 4.2Å; L348-L409 HydrophobicContact CD1-CD2 3.58Å; L348-L409 HydrophobicContact CG-CD2 4.48Å; L348-W410 PolarHBondContact O-NE1 3.34Å
349S98.8Very high98.6Very high0 Ų022 Ų220%010%0.104CC..  trans-90.4-16.4-173.9700000114.9C345 A346 D347 P351 T352 K353C345-S349 WeakPolarHBondContact O-CA 3.44Å; C345-S349 WeakPolarHBondContact O-CB 3.49Å; C345-S349 PolarHBondContact O-N 2.68Å; A346-S349 WeakPolarHBondContact O-CB 3.48Å; A346-S349 PolarHBondContact O-N 2.95Å; A346-S349 PolarHBondContact O-OG 3.48Å; D347-S349 VanDerWaalsContact C-N 3.28Å; D347-S349 PolarHBondContact O-N 3.09Å; S349-P351 VanDerWaalsContact C-CD 3.47Å; S349-P351 VanDerWaalsContact C-N 3.34Å; S349-T352 PolarHBondContact O-N 3.31Å; S349-T352 PolarHBondContact O-OG1 3.11Å; S349-K353 PolarHBondContact O-N 3.1Å; S349-K353 WeakPolarHBondContact OG-CE 3.34Å; S349-K353 PolarHBondContact OG-NZ 3.04Å
350N98.8Very high98.6Very high12 Ų1225 Ų256%0.06412%0.118CC..G310 helixtrans-53-44.3-173.3-56.7-21.2000114Y188 D196 T352 K353 Y358 W361Y188-N350 VanDerWaalsContact CE2-ND2 3.29Å; Y188-N350 WeakPolarHBondContact CE2-ND2 3.19Å; Y188-N350 PolarHBondContact OH-ND2 2.91Å; D196-N350 PolarHBondContact OD2-OD1 3.48Å; N350-T352 PolarHBondContact O-N 3.14Å; N350-K353 WeakPolarHBondContact O-CB 3.19Å; N350-K353 PolarHBondContact O-N 2.94Å; N350-K353 VanDerWaalsContact O-N 3.17Å; N350-Y358 HydrophobicContact CB-CD2 4.12Å; N350-Y358 WeakPolarHBondContact O-CB 3.43Å; N350-Y358 WeakPolarHBondContact O-CD2 3.46Å; N350-W361 HydrophobicContact CB-CB 3.9Å; N350-W361 HydrophobicContact CB-CG 4.06Å
351P98.8Very high98.6Very high3 Ų322.5 Ų22.52%0.01911%0.109CC..G310 helixtrans-68.3-12.2-180-20.436.3000114.4S349 Y358 F401 I402 V406 L428 N431S349-P351 VanDerWaalsContact C-CD 3.47Å; S349-P351 VanDerWaalsContact C-N 3.34Å; P351-Y358 HydrophobicContact CB-CD1 4.33Å; P351-Y358 HydrophobicContact CB-CD2 4.37Å; P351-Y358 HydrophobicContact CB-CE1 3.75Å; P351-Y358 HydrophobicContact CB-CE2 3.87Å; P351-Y358 HydrophobicContact CG-CD2 4.36Å; P351-Y358 HydrophobicContact CG-CE1 4.42Å; P351-Y358 HydrophobicContact CG-CE2 3.67Å; P351-F401 HydrophobicContact CG-CD1 4.4Å; P351-F401 HydrophobicContact CG-CE1 4.09Å; P351-I402 HydrophobicContact CB-CD1 4.09Å; P351-I402 HydrophobicContact CB-CG1 3.95Å; P351-I402 HydrophobicContact CG-CG1 4.45Å; P351-V406 HydrophobicContact CB-CG1 4.17Å; P351-V406 HydrophobicContact CG-CG1 4.1Å; P351-V406 HydrophobicContact CG-CG2 4.07Å; P351-L428 HydrophobicContact CB-CD1 3.58Å; P351-N431 PolarHBondContact O-ND2 3.18Å
352T98.8Very high98.6Very high0 Ų022.5 Ų22.50%011%0.109CC..G310 helixtrans-101.1-0.217881.10000113W131 S349 N350 V406 W410 I424 T427 L428W131-T352 VanDerWaalsContact CZ2-OG1 3.26Å; W131-T352 WeakPolarHBondContact CZ2-OG1 3.05Å; W131-T352 PolarHBondContact NE1-O 3.2Å; W131-T352 VanDerWaalsContact NE1-O 3.14Å; W131-T352 PolarHBondContact NE1-OG1 3.48Å; S349-T352 PolarHBondContact O-N 3.31Å; S349-T352 PolarHBondContact O-OG1 3.11Å; N350-T352 PolarHBondContact O-N 3.14Å; T352-V406 HydrophobicContact CG2-CG1 4.43Å; T352-W410 HydrophobicContact CG2-CD2 3.95Å; T352-W410 HydrophobicContact CG2-CG 3.91Å; T352-W410 HydrophobicContact CG2-CZ2 4.27Å; T352-I424 HydrophobicContact CG2-CG2 3.81Å; T352-I424 WeakPolarHBondContact OG1-CG2 3.26Å; T352-T427 WeakPolarHBondContact O-CG2 3.31Å; T352-L428 HydrophobicContact CG2-CB 4.1Å; T352-L428 HydrophobicContact CG2-CD1 4.07Å; T352-L428 HydrophobicContact CG2-CD2 4.19Å; T352-L428 HydrophobicContact CG2-CG 4.35Å
353K98.6Very high98.6Very high1 Ų127.5 Ų27.50%0.00414%0.136CC..SBendtrans-80.4168.3170.8-55.9-67.2169.264.70109.8W131 D196 S200 S349 N350 L357 T427 N431W131-K353 HydrophobicContact CZ2-CD 4.23Å; W131-K353 VanDerWaalsContact CZ2-CE 3.45Å; D196-K353 IonicContact OD1-NZ 3.02Å; D196-K353 PolarHBondContact OD1-NZ 2.99Å; D196-K353 IonicContact OD2-NZ 3.12Å; D196-K353 PolarHBondContact OD2-NZ 3.14Å; S200-K353 WeakPolarHBondContact OG-CE 3.2Å; S200-K353 PolarHBondContact OG-NZ 3.05Å; S349-K353 PolarHBondContact O-N 3.1Å; S349-K353 WeakPolarHBondContact OG-CE 3.34Å; S349-K353 PolarHBondContact OG-NZ 3.04Å; N350-K353 WeakPolarHBondContact O-CB 3.19Å; N350-K353 PolarHBondContact O-N 2.94Å; N350-K353 VanDerWaalsContact O-N 3.17Å; K353-L357 HydrophobicContact CB-CB 4.02Å; K353-L357 HydrophobicContact CB-CD1 4.3Å; K353-T427 WeakPolarHBondContact O-CG2 3.39Å; K353-N431 PolarHBondContact O-ND2 3.12Å
354S98.5Very high98.6Very high54 Ų5431.1 Ų31.138%0.37815%0.149SC..  trans-54.6146.3173.4690000111.1E356 L357 Y358S354-E356 PolarHBondContact O-N 2.85Å; S354-L357 PolarHBondContact O-N 2.74Å; S354-Y358 PolarHBondContact O-N 2.9Å
355L98.4Very high98.6Very high50 Ų5032.3 Ų32.326%0.26216%0.156SC..Hα-helixtrans-52.5-33.6-175.6-177.162.8000113.4R359 N431 W434L355-R359 HydrophobicContact CD1-CG 3.95Å; L355-R359 HydrophobicContact CG-CG 4.28Å; L355-R359 WeakPolarHBondContact O-CB 3.33Å; L355-R359 WeakPolarHBondContact O-CG 3.44Å; L355-R359 PolarHBondContact O-N 3.03Å; L355-N431 WeakPolarHBondContact CA-OD1 3.39Å; L355-N431 WeakPolarHBondContact CB-OD1 3.44Å; L355-W434 HydrophobicContact CD1-CB 4.43Å; L355-W434 HydrophobicContact CD1-CD2 3.78Å; L355-W434 HydrophobicContact CD1-CE3 3.68Å; L355-W434 HydrophobicContact CD1-CG 4.11Å; L355-W434 HydrophobicContact CD1-CZ3 4.24Å; L355-W434 HydrophobicContact CD2-CB 4.45Å; L355-W434 HydrophobicContact CD2-CD2 3.74Å; L355-W434 HydrophobicContact CD2-CE3 4.45Å; L355-W434 HydrophobicContact CD2-CG 3.69Å; L355-W434 HydrophobicContact CD2-CZ2 4.45Å; L355-W434 HydrophobicContact CG-CD2 4.37Å
356E98.3Very high98.6Very high132 Ų13232.7 Ų32.762%0.61716%0.157SC*.Hα-helixtrans-63.1-42.9176.6-178.2179.9171.400112.8S354 Q360S354-E356 PolarHBondContact O-N 2.85Å; E356-Q360 PolarHBondContact O-NE2 2.91Å; E356-Q360 VanDerWaalsContact O-NE2 3.12Å
357L98.5Very high98.5Very high5 Ų537.3 Ų37.33%0.02618%0.179CC..Hα-helixtrans-72.9-45.8176.8-63.1177.6000110.3N134 F136 K353 S354 R359 Q360 W361N134-L357 HydrophobicContact CB-CD2 4.24Å; F136-L357 HydrophobicContact CD2-CD2 3.6Å; F136-L357 HydrophobicContact CE2-CB 4.48Å; F136-L357 HydrophobicContact CE2-CD2 3.8Å; K353-L357 HydrophobicContact CB-CB 4.02Å; K353-L357 HydrophobicContact CB-CD1 4.3Å; S354-L357 PolarHBondContact O-N 2.74Å; L357-R359 VanDerWaalsContact C-N 3.33Å; L357-R359 PolarHBondContact O-N 3.06Å; L357-Q360 PolarHBondContact O-N 3.45Å; L357-Q360 VanDerWaalsContact O-N 3.16Å; L357-W361 PolarHBondContact O-N 2.92Å; L357-W361 VanDerWaalsContact O-N 3.09Å
358Y98.8Very high98.5Very high2 Ų237.1 Ų37.11%0.00818%0.177CC..Hα-helixtrans-58.6-44.8-178.1-179.4-156.8000111.7N350 P351 S354 Q360 W361 T362 Q398 I402 N431 Y435N350-Y358 HydrophobicContact CB-CD2 4.12Å; N350-Y358 WeakPolarHBondContact O-CB 3.43Å; N350-Y358 WeakPolarHBondContact O-CD2 3.46Å; P351-Y358 HydrophobicContact CB-CD1 4.33Å; P351-Y358 HydrophobicContact CB-CD2 4.37Å; P351-Y358 HydrophobicContact CB-CE1 3.75Å; P351-Y358 HydrophobicContact CB-CE2 3.87Å; P351-Y358 HydrophobicContact CG-CD2 4.36Å; P351-Y358 HydrophobicContact CG-CE1 4.42Å; P351-Y358 HydrophobicContact CG-CE2 3.67Å; S354-Y358 PolarHBondContact O-N 2.9Å; Y358-Q360 VanDerWaalsContact C-N 3.33Å; Y358-Q360 PolarHBondContact O-N 3.06Å; Y358-W361 WeakPolarHBondContact O-CB 3.44Å; Y358-W361 PolarHBondContact O-N 3.43Å; Y358-W361 VanDerWaalsContact O-N 3.09Å; Y358-T362 VanDerWaalsContact CE2-OG1 3.24Å; Y358-T362 WeakPolarHBondContact CE2-OG1 3.4Å; Y358-T362 PolarHBondContact O-N 3.07Å; Y358-T362 PolarHBondContact O-OG1 2.85Å; Y358-T362 VanDerWaalsContact O-OG1 3.13Å; Y358-Q398 PolarHBondContact OH-OE1 3.1Å; Y358-I402 HydrophobicContact CE1-CD1 4.15Å; Y358-N431 HydrophobicContact CD1-CB 3.84Å; Y358-N431 HydrophobicContact CE1-CB 4.05Å; Y358-Y435 HydrophobicContact CD1-CD2 4.34Å; Y358-Y435 AromaticContact CD1-CE2 3.68Å; Y358-Y435 HydrophobicContact CD1-CE2 3.68Å; Y358-Y435 AromaticContact CE1-CD2 3.66Å; Y358-Y435 HydrophobicContact CE1-CD2 3.66Å; Y358-Y435 AromaticContact CE1-CE2 3.25Å; Y358-Y435 HydrophobicContact CE1-CE2 3.25Å; Y358-Y435 HydrophobicContact CE2-CE2 4.47Å; Y358-Y435 HydrophobicContact CG-CE2 4.47Å; Y358-Y435 AromaticContact CZ-CE2 3.67Å
359R98.4Very high98.5Very high118 Ų11839.8 Ų39.845%0.44519%0.189SC..Hα-helixtrans-60-40.3177.8-74.1177.864.6-156.8-4.4113.1L355 L357 W361 T362 D363 W434L355-R359 HydrophobicContact CD1-CG 3.95Å; L355-R359 HydrophobicContact CG-CG 4.28Å; L355-R359 WeakPolarHBondContact O-CB 3.33Å; L355-R359 WeakPolarHBondContact O-CG 3.44Å; L355-R359 PolarHBondContact O-N 3.03Å; L357-R359 VanDerWaalsContact C-N 3.33Å; L357-R359 PolarHBondContact O-N 3.06Å; R359-W361 VanDerWaalsContact C-N 3.3Å; R359-W361 PolarHBondContact O-N 3.14Å; R359-T362 PolarHBondContact O-N 3.05Å; R359-D363 PolarHBondContact O-N 2.89Å; R359-W434 HydrophobicContact CG-CH2 4.32Å; R359-W434 HydrophobicContact CG-CZ3 4.22Å
360Q98.6Very high98.4Very high65 Ų6541.9 Ų41.930%0.30420%0.198SC..Hα-helixtrans-64.6-37.1175.9-71.31778200111.9F136 E356 L357 Y358 R364F136-Q360 HydrophobicContact CE1-CB 4.1Å; F136-Q360 HydrophobicContact CE2-CB 3.85Å; F136-Q360 HydrophobicContact CZ-CB 3.59Å; E356-Q360 PolarHBondContact O-NE2 2.91Å; E356-Q360 VanDerWaalsContact O-NE2 3.12Å; L357-Q360 PolarHBondContact O-N 3.45Å; L357-Q360 VanDerWaalsContact O-N 3.16Å; Y358-Q360 VanDerWaalsContact C-N 3.33Å; Y358-Q360 PolarHBondContact O-N 3.06Å; Q360-R364 WeakPolarHBondContact O-CD 3.45Å; Q360-R364 VanDerWaalsContact O-CG 3.28Å; Q360-R364 WeakPolarHBondContact O-CG 3.49Å; Q360-R364 PolarHBondContact O-N 3.08Å
361W98.8Very high98.4Very high3 Ų345.3 Ų45.31%0.01121%0.213CC..Hα-helixtrans-67.6-42.6173.6-73.7131.5000112.7I135 F136 Y188 L192 H193 D196 N350 L357 Y358 R359 D363 R364 I365I135-W361 HydrophobicContact CG2-CZ2 3.79Å; F136-W361 HydrophobicContact CE1-CH2 4.37Å; F136-W361 HydrophobicContact CE1-CZ2 4.3Å; F136-W361 HydrophobicContact CE2-CZ2 4.39Å; F136-W361 AromaticContact CZ-CD2 3.71Å; F136-W361 HydrophobicContact CZ-CD2 3.71Å; F136-W361 AromaticContact CZ-CE2 3.51Å; F136-W361 HydrophobicContact CZ-CE3 4.18Å; F136-W361 HydrophobicContact CZ-CG 4.14Å; F136-W361 HydrophobicContact CZ-CH2 4.26Å; F136-W361 AromaticContact CZ-CZ2 3.81Å; F136-W361 HydrophobicContact CZ-CZ2 3.81Å; F136-W361 HydrophobicContact CZ-CZ3 4.44Å; F136-W361 AromaticContact CZ-NE1 3.9Å; Y188-W361 AromaticContact CD2-CE3 3.77Å; Y188-W361 HydrophobicContact CD2-CE3 3.77Å; Y188-W361 HydrophobicContact CD2-CZ3 4.25Å; Y188-W361 HydrophobicContact CE2-CB 4.48Å; Y188-W361 HydrophobicContact CE2-CD2 4.38Å; Y188-W361 AromaticContact CE2-CE3 3.7Å; Y188-W361 HydrophobicContact CE2-CE3 3.7Å; Y188-W361 HydrophobicContact CE2-CZ3 4.32Å; L192-W361 HydrophobicContact CB-CH2 4.2Å; L192-W361 HydrophobicContact CD2-CH2 3.93Å; L192-W361 HydrophobicContact CD2-CZ3 4.4Å; L192-W361 HydrophobicContact CG-CH2 3.7Å; L192-W361 HydrophobicContact CG-CZ2 4.33Å; H193-W361 HydrophobicContact CB-CH2 4.09Å; H193-W361 HydrophobicContact CB-CZ3 4.11Å; D196-W361 HydrophobicContact CB-CZ2 3.79Å; D196-W361 PolarHBondContact OD2-NE1 3.11Å; N350-W361 HydrophobicContact CB-CB 3.9Å; N350-W361 HydrophobicContact CB-CG 4.06Å; L357-W361 PolarHBondContact O-N 2.92Å; L357-W361 VanDerWaalsContact O-N 3.09Å; Y358-W361 WeakPolarHBondContact O-CB 3.44Å; Y358-W361 PolarHBondContact O-N 3.43Å; Y358-W361 VanDerWaalsContact O-N 3.09Å; R359-W361 VanDerWaalsContact C-N 3.3Å; R359-W361 PolarHBondContact O-N 3.14Å; W361-D363 PolarHBondContact O-N 3.37Å; W361-R364 PolarHBondContact O-N 3.1Å; W361-I365 PolarHBondContact O-N 3.43Å
362T98.5Very high98.4Very high2 Ų245.6 Ų45.61%0.01221%0.214CC..Hα-helixtrans-58.8-46.5174.6-56.70000111.3Y358 R359 R364 I365 M366 V394 Q398 Y435Y358-T362 VanDerWaalsContact CE2-OG1 3.24Å; Y358-T362 WeakPolarHBondContact CE2-OG1 3.4Å; Y358-T362 PolarHBondContact O-N 3.07Å; Y358-T362 PolarHBondContact O-OG1 2.85Å; Y358-T362 VanDerWaalsContact O-OG1 3.13Å; R359-T362 PolarHBondContact O-N 3.05Å; T362-R364 VanDerWaalsContact C-N 3.28Å; T362-R364 PolarHBondContact O-N 3.31Å; T362-I365 VanDerWaalsContact O-CG2 3.32Å; T362-I365 WeakPolarHBondContact O-CG2 3.36Å; T362-I365 PolarHBondContact O-N 2.86Å; T362-M366 HydrophobicContact CG2-CG 4.26Å; T362-M366 WeakPolarHBondContact O-CB 3.37Å; T362-M366 WeakPolarHBondContact O-CG 3.39Å; T362-M366 PolarHBondContact O-N 3.15Å; T362-V394 HydrophobicContact CG2-CG1 3.67Å; T362-Q398 HydrophobicContact CG2-CG 3.73Å; T362-Q398 PolarHBondContact OG1-OE1 3.38Å; T362-Y435 VanDerWaalsContact CB-OH 3.26Å; T362-Y435 WeakPolarHBondContact CB-OH 3.46Å; T362-Y435 WeakPolarHBondContact CG2-OH 3.42Å; T362-Y435 PolarHBondContact OG1-OH 3.35Å
363D98.2Very high98.3Very high105 Ų10545.6 Ų45.656%0.56122%0.215SC*.Hα-helixtrans-59.1-41.6178.8-71.8-17.9000111.4R359 W361 E367R359-D363 PolarHBondContact O-N 2.89Å; W361-D363 PolarHBondContact O-N 3.37Å; D363-E367 WeakPolarHBondContact O-CB 3.37Å; D363-E367 PolarHBondContact O-N 3.43Å
364R98.6Very high98.3Very high75 Ų7547.6 Ų47.628%0.28323%0.225SC..Hα-helixtrans-68.1-46.1179.7-73.7169.8176.7-831.8113.6A187 Y188 Q360 W361 T362 M366 E367 E368A187-R364 WeakPolarHBondContact CB-O 3.49Å; A187-R364 PolarHBondContact O-NH1 3.33Å; Y188-R364 HydrophobicContact CD2-CB 4.2Å; Q360-R364 WeakPolarHBondContact O-CD 3.45Å; Q360-R364 VanDerWaalsContact O-CG 3.28Å; Q360-R364 WeakPolarHBondContact O-CG 3.49Å; Q360-R364 PolarHBondContact O-N 3.08Å; W361-R364 PolarHBondContact O-N 3.1Å; T362-R364 VanDerWaalsContact C-N 3.28Å; T362-R364 PolarHBondContact O-N 3.31Å; R364-M366 VanDerWaalsContact C-N 3.31Å; R364-M366 PolarHBondContact O-N 2.84Å; R364-E367 PolarHBondContact O-N 2.9Å; R364-E368 PolarHBondContact O-N 3.07Å
365I98.3Very high98.2Very high26 Ų2649.4 Ų49.413%0.13322%0.224CC..Hα-helixtrans-67.1-37.5179.9-169.964.7000110.7Y188 W361 T362 E368 F369Y188-I365 HydrophobicContact CD1-CD1 3.67Å; Y188-I365 HydrophobicContact CD2-CB 3.68Å; Y188-I365 HydrophobicContact CD2-CD1 4.17Å; Y188-I365 HydrophobicContact CD2-CG1 4.44Å; Y188-I365 HydrophobicContact CE1-CD1 4.13Å; Y188-I365 HydrophobicContact CE2-CB 4.15Å; Y188-I365 HydrophobicContact CG-CB 4Å; Y188-I365 HydrophobicContact CG-CD1 3.68Å; Y188-I365 HydrophobicContact CG-CG1 4.41Å; W361-I365 PolarHBondContact O-N 3.43Å; T362-I365 VanDerWaalsContact O-CG2 3.32Å; T362-I365 WeakPolarHBondContact O-CG2 3.36Å; T362-I365 PolarHBondContact O-N 2.86Å; I365-E368 PolarHBondContact O-N 2.86Å; I365-F369 HydrophobicContact CD1-CD1 4.38Å; I365-F369 HydrophobicContact CD1-CE1 3.76Å; I365-F369 HydrophobicContact CD1-CZ 3.86Å; I365-F369 HydrophobicContact CG1-CD1 4.49Å; I365-F369 HydrophobicContact CG1-CD2 4.37Å; I365-F369 HydrophobicContact CG1-CE1 3.96Å; I365-F369 HydrophobicContact CG1-CE2 3.83Å; I365-F369 HydrophobicContact CG1-CZ 3.6Å; I365-F369 WeakPolarHBondContact O-CG 3.41Å; I365-F369 PolarHBondContact O-N 3.25Å
366M97.9Very high98.2Very high7 Ų747.1 Ų47.13%0.03421%0.212CC..Hα-helixtrans-66.4-41.2174.9-66-53.9-52.300111.6T362 R364 E368 F369 F370 M386 A392 V394T362-M366 HydrophobicContact CG2-CG 4.26Å; T362-M366 WeakPolarHBondContact O-CB 3.37Å; T362-M366 WeakPolarHBondContact O-CG 3.39Å; T362-M366 PolarHBondContact O-N 3.15Å; R364-M366 VanDerWaalsContact C-N 3.31Å; R364-M366 PolarHBondContact O-N 2.84Å; M366-E368 VanDerWaalsContact C-N 3.28Å; M366-E368 PolarHBondContact O-N 3.24Å; M366-F369 PolarHBondContact O-N 3.35Å; M366-F369 HydrophobicContact SD-CD2 4.18Å; M366-F370 HydrophobicContact CB-CE2 4.05Å; M366-F370 HydrophobicContact CB-CZ 4.16Å; M366-F370 HydrophobicContact CE-CE1 3.5Å; M366-F370 HydrophobicContact CE-CE2 4.4Å; M366-F370 HydrophobicContact CE-CZ 3.44Å; M366-F370 VanDerWaalsContact CE-CZ 3.44Å; M366-F370 WeakPolarHBondContact O-CB 3.34Å; M366-F370 WeakPolarHBondContact O-CD1 3.21Å; M366-F370 WeakPolarHBondContact O-CD2 3.38Å; M366-F370 WeakPolarHBondContact O-CG 3.49Å; M366-F370 PolarHBondContact O-N 3.29Å; M366-M386 HydrophobicContact CE-CE 3.82Å; M366-M386 HydrophobicContact SD-CE 4.4Å; M366-A392 HydrophobicContact CE-CB 4.13Å; M366-V394 HydrophobicContact CE-CG2 3.94Å; M366-V394 HydrophobicContact CG-CG1 4.01Å; M366-V394 HydrophobicContact CG-CG2 4.11Å; M366-V394 HydrophobicContact SD-CG1 4.45Å; M366-V394 HydrophobicContact SD-CG2 4.39Å
367E98.2Very high98.1Very high98 Ų9845.5 Ų45.546%0.45820%0.2SC..Hα-helixtrans-57.4-42.5173179.8176.1-170.500111.5A187 D363 R364 F370 H371A187-E367 HydrophobicContact CB-CB 3.97Å; A187-E367 HydrophobicContact CB-CG 3.81Å; D363-E367 WeakPolarHBondContact O-CB 3.37Å; D363-E367 PolarHBondContact O-N 3.43Å; R364-E367 PolarHBondContact O-N 2.9Å; E367-F370 PolarHBondContact O-N 3.09Å; E367-H371 PolarHBondContact O-N 3.35Å; E367-H371 PolarHBondContact O-ND1 3.13Å; E367-H371 IonicContact OE1-CE1 3.46Å
368E98.5Very high98Very high8 Ų853.1 Ų53.14%0.03724%0.236CC..Hα-helixtrans-66.5-45.1177.4-163.6171.3130.100112.9V186 A187 Y188 H189 H233 G235 R364 I365 M366 F370 H371 Q372V186-E368 HydrophobicContact CG1-CG 4.43Å; V186-E368 WeakPolarHBondContact CG1-OE2 3.46Å; A187-E368 HydrophobicContact CB-CB 4.28Å; Y188-E368 WeakPolarHBondContact CA-OE2 3.48Å; Y188-E368 WeakPolarHBondContact CB-OE2 3.27Å; Y188-E368 PolarHBondContact N-OE2 2.98Å; H189-E368 IonicContact CE1-OE1 3.4Å; H189-E368 IonicContact CG-OE1 3.98Å; H189-E368 PolarHBondContact N-OE2 3.03Å; H189-E368 IonicContact ND1-OE1 3.12Å; H189-E368 PolarHBondContact ND1-OE1 3.09Å; H189-E368 IonicContact ND1-OE2 3.7Å; H233-E368 IonicContact CE1-OE1 3.31Å; H233-E368 IonicContact ND1-OE1 3.78Å; G235-E368 VanDerWaalsContact CA-OE1 3.29Å; G235-E368 WeakPolarHBondContact CA-OE1 3.48Å; R364-E368 PolarHBondContact O-N 3.07Å; I365-E368 PolarHBondContact O-N 2.86Å; M366-E368 VanDerWaalsContact C-N 3.28Å; M366-E368 PolarHBondContact O-N 3.24Å; E368-F370 VanDerWaalsContact C-N 3.28Å; E368-F370 PolarHBondContact O-N 2.93Å; E368-H371 WeakPolarHBondContact O-CB 3.48Å; E368-H371 PolarHBondContact O-N 2.93Å; E368-H371 VanDerWaalsContact O-N 3.15Å; E368-Q372 PolarHBondContact O-N 3.46Å
369F98.1Very high97.9Very high70 Ų7060 Ų6031%0.30726%0.261SS..Hα-helixtrans-58.8-41174-69.4-15.4000111.9I365 M366 H371 Q372 G373 M386 C387I365-F369 HydrophobicContact CD1-CD1 4.38Å; I365-F369 HydrophobicContact CD1-CE1 3.76Å; I365-F369 HydrophobicContact CD1-CZ 3.86Å; I365-F369 HydrophobicContact CG1-CD1 4.49Å; I365-F369 HydrophobicContact CG1-CD2 4.37Å; I365-F369 HydrophobicContact CG1-CE1 3.96Å; I365-F369 HydrophobicContact CG1-CE2 3.83Å; I365-F369 HydrophobicContact CG1-CZ 3.6Å; I365-F369 WeakPolarHBondContact O-CG 3.41Å; I365-F369 PolarHBondContact O-N 3.25Å; M366-F369 PolarHBondContact O-N 3.35Å; M366-F369 HydrophobicContact SD-CD2 4.18Å; F369-H371 VanDerWaalsContact C-N 3.35Å; F369-H371 PolarHBondContact O-N 3.29Å; F369-Q372 WeakPolarHBondContact O-CB 3.1Å; F369-Q372 PolarHBondContact O-N 2.79Å; F369-G373 PolarHBondContact O-N 3.11Å; F369-M386 HydrophobicContact CD2-CB 4.42Å; F369-C387 WeakPolarHBondContact O-CA 3.13Å; F369-C387 VanDerWaalsContact O-CB 3.26Å; F369-C387 WeakPolarHBondContact O-CB 3.36Å
370F97.9Very high97.8Very high44 Ų4457.7 Ų57.719%0.19328%0.275CS..Hα-helixtrans-67.2-36.2177-59.5-23.5000112.5M366 E367 E368 G373 D374 K389 A392M366-F370 HydrophobicContact CB-CE2 4.05Å; M366-F370 HydrophobicContact CB-CZ 4.16Å; M366-F370 HydrophobicContact CE-CE1 3.5Å; M366-F370 HydrophobicContact CE-CE2 4.4Å; M366-F370 HydrophobicContact CE-CZ 3.44Å; M366-F370 VanDerWaalsContact CE-CZ 3.44Å; M366-F370 WeakPolarHBondContact O-CB 3.34Å; M366-F370 WeakPolarHBondContact O-CD1 3.21Å; M366-F370 WeakPolarHBondContact O-CD2 3.38Å; M366-F370 WeakPolarHBondContact O-CG 3.49Å; M366-F370 PolarHBondContact O-N 3.29Å; E367-F370 PolarHBondContact O-N 3.09Å; E368-F370 VanDerWaalsContact C-N 3.28Å; E368-F370 PolarHBondContact O-N 2.93Å; F370-G373 PolarHBondContact O-N 3.04Å; F370-D374 PolarHBondContact O-N 2.9Å; F370-K389 HydrophobicContact CB-CB 4.35Å; F370-K389 HydrophobicContact CD1-CB 3.88Å; F370-K389 HydrophobicContact CD2-CB 3.79Å; F370-K389 HydrophobicContact CE1-CB 4.07Å; F370-K389 HydrophobicContact CE2-CB 3.97Å; F370-K389 HydrophobicContact CG-CB 3.74Å; F370-K389 HydrophobicContact CZ-CB 4.1Å; F370-A392 HydrophobicContact CE1-CB 3.75Å; F370-A392 HydrophobicContact CZ-CB 4.09Å
371H97.7Very high97.7Very high83 Ų8357 Ų5738%0.38427%0.272SS..Hα-helixtrans-64.1-39.1171.7-74.7138.5000112.3E367 E368 F369 R375E367-H371 PolarHBondContact O-N 3.35Å; E367-H371 PolarHBondContact O-ND1 3.13Å; E367-H371 IonicContact OE1-CE1 3.46Å; E368-H371 WeakPolarHBondContact O-CB 3.48Å; E368-H371 PolarHBondContact O-N 2.93Å; E368-H371 VanDerWaalsContact O-N 3.15Å; F369-H371 VanDerWaalsContact C-N 3.35Å; F369-H371 PolarHBondContact O-N 3.29Å; H371-R375 WeakPolarHBondContact O-CG 3.43Å; H371-R375 PolarHBondContact O-N 3.39Å; H371-R375 VanDerWaalsContact O-N 3.12Å
372Q98.1Very high97.5Very high9 Ų965.5 Ų65.54%0.04231%0.312CS..Hα-helixtrans-61.5-47.4171.7-177179.2-58.800111.1V236 F240 E368 F369 D374 R375 E376V236-Q372 VanDerWaalsContact CA-OE1 3.28Å; V236-Q372 HydrophobicContact CB-CG 4.34Å; V236-Q372 HydrophobicContact CG1-CB 4.15Å; V236-Q372 HydrophobicContact CG1-CG 3.95Å; F240-Q372 HydrophobicContact CB-CG 4.48Å; F240-Q372 HydrophobicContact CD2-CG 3.86Å; F240-Q372 HydrophobicContact CE2-CG 4.4Å; F240-Q372 HydrophobicContact CG-CG 4.26Å; E368-Q372 PolarHBondContact O-N 3.46Å; F369-Q372 WeakPolarHBondContact O-CB 3.1Å; F369-Q372 PolarHBondContact O-N 2.79Å; Q372-D374 VanDerWaalsContact C-N 3.32Å; Q372-D374 PolarHBondContact O-N 3.35Å; Q372-R375 CarbonylContact O-C 3.22Å; Q372-R375 WeakPolarHBondContact O-CA 3.45Å; Q372-R375 WeakPolarHBondContact O-CB 3.26Å; Q372-R375 PolarHBondContact O-N 2.88Å; Q372-E376 HydrophobicContact CG-CG 4.38Å; Q372-E376 PolarHBondContact NE2-OE1 3.39Å; Q372-E376 WeakPolarHBondContact O-CG 3.33Å; Q372-E376 PolarHBondContact O-N 3Å
373G97.9Very high97.4Very high1 Ų167.5 Ų67.51%0.0132%0.322CS..Hα-helixtrans-62.8-36179.800000113.7F369 F370 E376 R377 C387F369-G373 PolarHBondContact O-N 3.11Å; F370-G373 PolarHBondContact O-N 3.04Å; G373-E376 PolarHBondContact O-N 3.41Å; G373-R377 WeakPolarHBondContact O-CB 2.94Å; G373-R377 PolarHBondContact O-N 3.41Å; G373-C387 WeakPolarHBondContact CA-O 3.31Å
374D97.5Very high97.1Very high42 Ų4264 Ų6423%0.22531%0.306CS..Hα-helixtrans-64.1-40172.1-76.9-26.2000110.7F370 Q372 R377 E378 K389F370-D374 PolarHBondContact O-N 2.9Å; Q372-D374 VanDerWaalsContact C-N 3.32Å; Q372-D374 PolarHBondContact O-N 3.35Å; D374-R377 PolarHBondContact O-N 2.92Å; D374-R377 IonicContact OD1-NH1 2.92Å; D374-R377 PolarHBondContact OD1-NH1 3.49Å; D374-E378 VanDerWaalsContact O-CG 3.31Å; D374-E378 WeakPolarHBondContact O-CG 3.45Å; D374-E378 PolarHBondContact O-N 2.99Å; D374-K389 IonicContact OD1-NZ 2.75Å; D374-K389 PolarHBondContact OD1-NZ 2.92Å; D374-K389 IonicContact OD2-NZ 2.7Å; D374-K389 PolarHBondContact OD2-NZ 2.9Å
375R97.1Very high96.6Very high93 Ų9366.2 Ų66.235%0.35133%0.33SS..Hα-helixtrans-66.1-39173.7-68.6177.2-175.3-177.25.6113P234 F240 H371 Q372 E378 R379P234-R375 PolarHBondContact O-NH1 3.24Å; F240-R375 HydrophobicContact CE2-CB 4.22Å; F240-R375 HydrophobicContact CZ-CB 4.06Å; H371-R375 WeakPolarHBondContact O-CG 3.43Å; H371-R375 PolarHBondContact O-N 3.39Å; H371-R375 VanDerWaalsContact O-N 3.12Å; Q372-R375 CarbonylContact O-C 3.22Å; Q372-R375 WeakPolarHBondContact O-CA 3.45Å; Q372-R375 WeakPolarHBondContact O-CB 3.26Å; Q372-R375 PolarHBondContact O-N 2.88Å; R375-E378 PolarHBondContact O-N 2.92Å; R375-R379 VanDerWaalsContact O-CG 3.31Å; R375-R379 WeakPolarHBondContact O-CG 3.24Å; R375-R379 PolarHBondContact O-N 3.39Å; R375-R379 VanDerWaalsContact O-N 3.16Å
376E98.2Very high96.1Very high1 Ų167.7 Ų67.71%0.00534%0.337CS..Hα-helixtrans-62.5-46.5175.4-71.5168.3163.200110.3F240 Q372 G373 E378 R379 G380 M381 I383 S384F240-E376 HydrophobicContact CD2-CG 3.61Å; F240-E376 HydrophobicContact CE2-CG 3.59Å; Q372-E376 HydrophobicContact CG-CG 4.38Å; Q372-E376 PolarHBondContact NE2-OE1 3.39Å; Q372-E376 WeakPolarHBondContact O-CG 3.33Å; Q372-E376 PolarHBondContact O-N 3Å; G373-E376 PolarHBondContact O-N 3.41Å; E376-E378 PolarHBondContact O-N 3.02Å; E376-R379 CarbonylContact O-C 3.6Å; E376-R379 PolarHBondContact O-N 2.88Å; E376-R379 VanDerWaalsContact O-N 3.14Å; E376-G380 PolarHBondContact O-N 3.46Å; E376-G380 VanDerWaalsContact O-N 3.14Å; E376-M381 HydrophobicContact CB-CB 4.16Å; E376-M381 PolarHBondContact O-N 2.79Å; E376-I383 WeakPolarHBondContact OE2-CA 3.39Å; E376-S384 WeakPolarHBondContact OE1-CB 3.4Å; E376-S384 PolarHBondContact OE1-OG 2.93Å; E376-S384 PolarHBondContact OE2-N 3.46Å
377R96.5Very high95.9Very high98 Ų9867.7 Ų67.737%0.3734%0.338SS..Hα-helixtrans-59.6-44.9176.1-175.4-177.4-66.4163.3-4.8112.2G373 D374 R379 G380 I383 D388G373-R377 WeakPolarHBondContact O-CB 2.94Å; G373-R377 PolarHBondContact O-N 3.41Å; D374-R377 PolarHBondContact O-N 2.92Å; D374-R377 IonicContact OD1-NH1 2.92Å; D374-R377 PolarHBondContact OD1-NH1 3.49Å; R377-R379 PolarHBondContact O-N 3.22Å; R377-G380 PolarHBondContact O-N 3.32Å; R377-G380 VanDerWaalsContact O-N 3.15Å; R377-I383 HydrophobicContact CB-CD1 4.16Å; R377-I383 HydrophobicContact CB-CG1 4.4Å; R377-D388 VanDerWaalsContact NH2-CG 3.35Å; R377-D388 IonicContact NH2-OD1 3.67Å; R377-D388 PolarHBondContact NH2-OD1 2.96Å; R377-D388 VanDerWaalsContact NH2-OD1 3.14Å; R377-D388 IonicContact NH2-OD2 3.14Å; R377-D388 PolarHBondContact NH2-OD2 3.45Å; R377-D388 VanDerWaalsContact NH2-OD2 3.11Å
378E96.9Very high95.6Very high165 Ų16564.4 Ų64.477%0.77132%0.324SS*.Hα-helixtrans-61.7-31.5176.7-76.4175.518000113.1D374 R375 E376 G380D374-E378 VanDerWaalsContact O-CG 3.31Å; D374-E378 WeakPolarHBondContact O-CG 3.45Å; D374-E378 PolarHBondContact O-N 2.99Å; R375-E378 PolarHBondContact O-N 2.92Å; E376-E378 PolarHBondContact O-N 3.02Å; E378-G380 VanDerWaalsContact C-N 3.34Å
379R96.2Very high95.1Very high146 Ų14668.6 Ų68.655%0.55134%0.341SS*.THydrogen-bonded Turntrans-87.4-1.9178.3-68.1176.6-177.1-155.30.5113.4R375 E376 R377 M381R375-R379 VanDerWaalsContact O-CG 3.31Å; R375-R379 WeakPolarHBondContact O-CG 3.24Å; R375-R379 PolarHBondContact O-N 3.39Å; R375-R379 VanDerWaalsContact O-N 3.16Å; E376-R379 CarbonylContact O-C 3.6Å; E376-R379 PolarHBondContact O-N 2.88Å; E376-R379 VanDerWaalsContact O-N 3.14Å; R377-R379 PolarHBondContact O-N 3.22Å; R379-M381 VanDerWaalsContact C-N 3.26Å; R379-M381 HydrophobicContact CB-CG 4.01Å; R379-M381 HydrophobicContact CB-SD 3.98Å; R379-M381 PolarHBondContact O-N 3.13Å
380G96.1Very high94.7Very high71 Ų7171.8 Ų71.873%0.73236%0.357SS*.THydrogen-bonded Turntrans67.826.2-176.100000113.4E376 R377 E378E376-G380 PolarHBondContact O-N 3.46Å; E376-G380 VanDerWaalsContact O-N 3.14Å; R377-G380 PolarHBondContact O-N 3.32Å; R377-G380 VanDerWaalsContact O-N 3.15Å; E378-G380 VanDerWaalsContact C-N 3.34Å
381M96.4Very high94.3Very high49 Ų4975 Ų7524%0.24138%0.381CS..PPolyproline II helixtrans-85.6158.7173.9-62.7170.162.400110.2F240 N243 T244 E376 R379 I383F240-M381 HydrophobicContact CE2-SD 4.44Å; N243-M381 HydrophobicContact CB-CE 3.64Å; T244-M381 HydrophobicContact CG2-CE 3.88Å; T244-M381 HydrophobicContact CG2-SD 3.56Å; T244-M381 VanDerWaalsContact CG2-SD 3.56Å; E376-M381 HydrophobicContact CB-CB 4.16Å; E376-M381 PolarHBondContact O-N 2.79Å; R379-M381 VanDerWaalsContact C-N 3.26Å; R379-M381 HydrophobicContact CB-CG 4.01Å; R379-M381 HydrophobicContact CB-SD 3.98Å; R379-M381 PolarHBondContact O-N 3.13Å; M381-I383 PolarHBondContact O-N 2.77Å
382E94.8Very high93.9Very high183 Ų18372.2 Ų72.286%0.85537%0.372SS*.PPolyproline II helixtrans-62.6133.9164.2-174.1171.2-16900109.1S384E382-S384 PolarHBondContact O-N 3.39Å
383I95.6Very high93.6Very high43 Ų4373.7 Ų73.722%0.22138%0.383CS..PPolyproline II helixtrans-76.1125.4-179.5-57.2173.6000107.7E376 R377 M381 C387 D388E376-I383 WeakPolarHBondContact OE2-CA 3.39Å; R377-I383 HydrophobicContact CB-CD1 4.16Å; R377-I383 HydrophobicContact CB-CG1 4.4Å; M381-I383 PolarHBondContact O-N 2.77Å; I383-C387 HydrophobicContact CG2-CB 3.97Å; I383-D388 HydrophobicContact CD1-CB 4.49Å; I383-D388 HydrophobicContact CG2-CB 3.93Å
384S92.4Very high93.4Very high32 Ų3275.3 Ų75.322%0.22439%0.392CS..PPolyproline II helixtrans-57.4147.6179.5-70.40000110.9E376 E382 M386 C387E376-S384 WeakPolarHBondContact OE1-CB 3.4Å; E376-S384 PolarHBondContact OE1-OG 2.93Å; E376-S384 PolarHBondContact OE2-N 3.46Å; E382-S384 PolarHBondContact O-N 3.39Å; S384-M386 PolarHBondContact O-N 2.94Å; S384-C387 VanDerWaalsContact O-CB 3.31Å; S384-C387 WeakPolarHBondContact O-CB 3.17Å; S384-C387 PolarHBondContact O-N 3.17Å
385P89.2Confident93.2Very high122 Ų12276 Ų7679%0.79239%0.394SS*.THydrogen-bonded Turntrans-48.8143.2170.6-26.834.9000111.1C387P385-C387 PolarHBondContact O-N 3.17Å
386M87.6Confident93Very high57 Ų5776.8 Ų76.828%0.28140%0.401SS..THydrogen-bonded Turntrans66.2-7.8-176.1-58-53.4-53.900117M366 F369 S384 A392 S397M366-M386 HydrophobicContact CE-CE 3.82Å; M366-M386 HydrophobicContact SD-CE 4.4Å; F369-M386 HydrophobicContact CD2-CB 4.42Å; S384-M386 PolarHBondContact O-N 2.94Å; M386-A392 HydrophobicContact CE-CB 3.97Å; M386-S397 WeakPolarHBondContact CE-OG 3.09Å; M386-S397 PolarHBondContact SD-OG 3.45Å
387C92.9Very high92.8Very high7 Ų778.4 Ų78.45%0.04741%0.412CS..  trans-91-5.1-177.9-62.20000113.9F369 G373 I383 S384 P385F369-C387 WeakPolarHBondContact O-CA 3.13Å; F369-C387 VanDerWaalsContact O-CB 3.26Å; F369-C387 WeakPolarHBondContact O-CB 3.36Å; G373-C387 WeakPolarHBondContact CA-O 3.31Å; I383-C387 HydrophobicContact CG2-CB 3.97Å; S384-C387 VanDerWaalsContact O-CB 3.31Å; S384-C387 WeakPolarHBondContact O-CB 3.17Å; S384-C387 PolarHBondContact O-N 3.17Å; P385-C387 PolarHBondContact O-N 3.17Å
388D91.8Very high92.8Very high29 Ų2974.5 Ų74.516%0.15540%0.398CS..  trans-98.4111.8173-164.2-20000112.3R377 I383 H390 T391 A392R377-D388 VanDerWaalsContact NH2-CG 3.35Å; R377-D388 IonicContact NH2-OD1 3.67Å; R377-D388 PolarHBondContact NH2-OD1 2.96Å; R377-D388 VanDerWaalsContact NH2-OD1 3.14Å; R377-D388 IonicContact NH2-OD2 3.14Å; R377-D388 PolarHBondContact NH2-OD2 3.45Å; R377-D388 VanDerWaalsContact NH2-OD2 3.11Å; I383-D388 HydrophobicContact CD1-CB 4.49Å; I383-D388 HydrophobicContact CG2-CB 3.93Å; D388-H390 PolarHBondContact O-N 3.4Å; D388-H390 WeakPolarHBondContact OD1-CB 3.37Å; D388-H390 IonicContact OD1-CD2 2.72Å; D388-H390 PolarHBondContact OD1-CD2 3.38Å; D388-H390 VanDerWaalsContact OD1-CD2 3.31Å; D388-H390 IonicContact OD1-CG 3.59Å; D388-H390 PolarHBondContact OD1-N 3.07Å; D388-T391 PolarHBondContact O-N 3.39Å; D388-T391 VanDerWaalsContact O-N 3.1Å; D388-A392 VanDerWaalsContact O-CB 3.28Å; D388-A392 WeakPolarHBondContact O-CB 3.46Å; D388-A392 PolarHBondContact O-N 3.02Å
389K89.4Confident92.8Very high95 Ų9567.1 Ų67.141%0.41336%0.364SS..THydrogen-bonded Turntrans-57.6-18.3176.367.5-169.4169-139.50115.1F370 D374F370-K389 HydrophobicContact CB-CB 4.35Å; F370-K389 HydrophobicContact CD1-CB 3.88Å; F370-K389 HydrophobicContact CD2-CB 3.79Å; F370-K389 HydrophobicContact CE1-CB 4.07Å; F370-K389 HydrophobicContact CE2-CB 3.97Å; F370-K389 HydrophobicContact CG-CB 3.74Å; F370-K389 HydrophobicContact CZ-CB 4.1Å; D374-K389 IonicContact OD1-NZ 2.75Å; D374-K389 PolarHBondContact OD1-NZ 2.92Å; D374-K389 IonicContact OD2-NZ 2.7Å; D374-K389 PolarHBondContact OD2-NZ 2.9Å
390H88.7Confident92.7Very high138 Ų13861.1 Ų61.164%0.63935%0.347SS*.THydrogen-bonded Turntrans-89.2-17.8-179.9-58.8-58000113.6D388D388-H390 PolarHBondContact O-N 3.4Å; D388-H390 WeakPolarHBondContact OD1-CB 3.37Å; D388-H390 IonicContact OD1-CD2 2.72Å; D388-H390 PolarHBondContact OD1-CD2 3.38Å; D388-H390 VanDerWaalsContact OD1-CD2 3.31Å; D388-H390 IonicContact OD1-CG 3.59Å; D388-H390 PolarHBondContact OD1-N 3.07Å
391T89.1Confident92.7Very high112 Ų11261.1 Ų61.169%0.68733%0.327SS*.THydrogen-bonded Turntrans-122.4-18.9-175.864.30000113.3D388 S393D388-T391 PolarHBondContact O-N 3.39Å; D388-T391 VanDerWaalsContact O-N 3.1Å; T391-S393 PolarHBondContact O-N 2.85Å
392A88.6Confident92.8Very high24 Ų2458.8 Ų58.820%0.19832%0.316CS..  trans-62128179.600000112.1M366 F370 M386 D388M366-A392 HydrophobicContact CE-CB 4.13Å; F370-A392 HydrophobicContact CE1-CB 3.75Å; F370-A392 HydrophobicContact CZ-CB 4.09Å; M386-A392 HydrophobicContact CE-CB 3.97Å; D388-A392 VanDerWaalsContact O-CB 3.28Å; D388-A392 WeakPolarHBondContact O-CB 3.46Å; D388-A392 PolarHBondContact O-N 3.02Å
393S92.1Very high92.9Very high39 Ų3952.7 Ų52.727%0.27329%0.289SS..  trans-101.394.7169.3-176.80000108.6T391 E395 K396 S397T391-S393 PolarHBondContact O-N 2.85Å; S393-E395 VanDerWaalsContact C-N 3.35Å; S393-E395 PolarHBondContact O-N 3.4Å; S393-K396 PolarHBondContact O-N 3.23Å; S393-K396 WeakPolarHBondContact OG-CG 3.34Å; S393-S397 WeakPolarHBondContact O-CB 3.32Å; S393-S397 PolarHBondContact O-N 3.48Å; S393-S397 VanDerWaalsContact O-N 3.07Å; S393-S397 PolarHBondContact O-OG 3.34Å
394V93.6Very high92.7Very high35 Ų3558.9 Ų58.921%0.21231%0.311CS..Hα-helixtrans-56.6-49-174179.80000111.1T362 M366 K396 S397 Q398T362-V394 HydrophobicContact CG2-CG1 3.67Å; M366-V394 HydrophobicContact CE-CG2 3.94Å; M366-V394 HydrophobicContact CG-CG1 4.01Å; M366-V394 HydrophobicContact CG-CG2 4.11Å; M366-V394 HydrophobicContact SD-CG1 4.45Å; M366-V394 HydrophobicContact SD-CG2 4.39Å; V394-K396 PolarHBondContact O-N 2.68Å; V394-S397 PolarHBondContact O-N 2.94Å; V394-Q398 HydrophobicContact CG1-CG 4.34Å; V394-Q398 WeakPolarHBondContact O-CG 3.36Å; V394-Q398 PolarHBondContact O-N 2.8Å
395E94.3Very high92.9Very high56 Ų5659.4 Ų59.426%0.26231%0.311SS..Hα-helixtrans-65.1-44.4-174.1-56.478.3-172.200112.1S393 S397 Q398 V399 Y435 M438 I439S393-E395 VanDerWaalsContact C-N 3.35Å; S393-E395 PolarHBondContact O-N 3.4Å; E395-S397 VanDerWaalsContact C-N 3.3Å; E395-S397 PolarHBondContact O-N 3.14Å; E395-Q398 PolarHBondContact O-N 3.33Å; E395-V399 WeakPolarHBondContact O-CG2 3.19Å; E395-V399 PolarHBondContact O-N 3.08Å; E395-Y435 HydrophobicContact CB-CD1 4.28Å; E395-Y435 HydrophobicContact CG-CD1 4.26Å; E395-M438 HydrophobicContact CG-CB 3.91Å; E395-I439 HydrophobicContact CB-CG1 3.65Å
396K93.3Very high93.3Very high111 Ų11153.6 Ų53.648%0.48327%0.273SS..Hα-helixtrans-62.8-39.6176.4-72.2-176.5-179179.40111.6S393 V394 V399 G400 I439S393-K396 PolarHBondContact O-N 3.23Å; S393-K396 WeakPolarHBondContact OG-CG 3.34Å; V394-K396 PolarHBondContact O-N 2.68Å; K396-V399 PolarHBondContact O-N 3.41Å; K396-G400 PolarHBondContact O-N 3.03Å; K396-I439 HydrophobicContact CD-CG2 4.48Å; K396-I439 HydrophobicContact CG-CD1 3.81Å; K396-I439 HydrophobicContact CG-CG1 3.97Å; K396-I439 HydrophobicContact CG-CG2 4Å
397S93.1Very high93.8Very high34 Ų3453.2 Ų53.224%0.23827%0.27CS..Hα-helixtrans-71.8-35.4-179.8-60.30000112.4M386 S393 V394 E395 F401M386-S397 WeakPolarHBondContact CE-OG 3.09Å; M386-S397 PolarHBondContact SD-OG 3.45Å; S393-S397 WeakPolarHBondContact O-CB 3.32Å; S393-S397 PolarHBondContact O-N 3.48Å; S393-S397 VanDerWaalsContact O-N 3.07Å; S393-S397 PolarHBondContact O-OG 3.34Å; V394-S397 PolarHBondContact O-N 2.94Å; E395-S397 VanDerWaalsContact C-N 3.3Å; E395-S397 PolarHBondContact O-N 3.14Å; S397-F401 WeakPolarHBondContact O-CB 3.42Å; S397-F401 PolarHBondContact O-N 3.11Å
398Q97.5Very high94.1Very high17 Ų1754.1 Ų54.18%0.07928%0.276CS..Hα-helixtrans-64.6-43.4171.6-67.2-48.2-7200111.5Y358 T362 V394 E395 F401 I402 Y435Y358-Q398 PolarHBondContact OH-OE1 3.1Å; T362-Q398 HydrophobicContact CG2-CG 3.73Å; T362-Q398 PolarHBondContact OG1-OE1 3.38Å; V394-Q398 HydrophobicContact CG1-CG 4.34Å; V394-Q398 WeakPolarHBondContact O-CG 3.36Å; V394-Q398 PolarHBondContact O-N 2.8Å; E395-Q398 PolarHBondContact O-N 3.33Å; Q398-F401 PolarHBondContact O-N 3.46Å; Q398-I402 VanDerWaalsContact O-CG1 3.31Å; Q398-I402 WeakPolarHBondContact O-CG1 3.32Å; Q398-I402 PolarHBondContact O-N 3.21Å; Q398-Y435 HydrophobicContact CB-CD1 3.93Å; Q398-Y435 HydrophobicContact CB-CD2 4.09Å; Q398-Y435 HydrophobicContact CB-CE1 4.19Å; Q398-Y435 HydrophobicContact CB-CE2 4.35Å; Q398-Y435 HydrophobicContact CB-CG 3.86Å; Q398-Y435 HydrophobicContact CG-CD1 4.07Å; Q398-Y435 HydrophobicContact CG-CE1 3.83Å; Q398-Y435 HydrophobicContact CG-CE2 4.29Å; Q398-Y435 HydrophobicContact CG-CG 4.4Å
399V97.2Very high94.4Very high9 Ų952.8 Ų52.86%0.05527%0.269CS..Hα-helixtrans-59.6-50.2174.9171.80000111.4E395 K396 F401 I402 D403 R432 Q436 I439E395-V399 WeakPolarHBondContact O-CG2 3.19Å; E395-V399 PolarHBondContact O-N 3.08Å; K396-V399 PolarHBondContact O-N 3.41Å; V399-F401 PolarHBondContact O-N 2.95Å; V399-I402 PolarHBondContact O-N 3.13Å; V399-D403 VanDerWaalsContact O-CG 3.26Å; V399-D403 PolarHBondContact O-N 3.36Å; V399-R432 VanDerWaalsContact CG1-NH2 3.28Å; V399-Q436 HydrophobicContact CG2-CB 3.98Å; V399-I439 HydrophobicContact CG2-CD1 4.15Å
400G92.4Very high94.9Very high20 Ų2048.2 Ų48.221%0.20625%0.249CC..Hα-helixtrans-63.1-40178.900000112.9K396 I402 D403 Y404K396-G400 PolarHBondContact O-N 3.03Å; G400-I402 VanDerWaalsContact C-N 3.31Å; G400-I402 PolarHBondContact O-N 2.94Å; G400-D403 PolarHBondContact O-N 2.98Å; G400-Y404 WeakPolarHBondContact O-CB 3.47Å; G400-Y404 WeakPolarHBondContact O-CD2 3.25Å; G400-Y404 PolarHBondContact O-N 3.39Å
401F97.1Very high95.3Very high72 Ų7245.8 Ų45.832%0.31624%0.238SC..Hα-helixtrans-61.8-40.9175.2178.3-119.9000111.8L348 P351 S397 Q398 V399 I405 V406L348-F401 HydrophobicContact CD2-CE2 4.36Å; L348-F401 HydrophobicContact CD2-CZ 3.74Å; P351-F401 HydrophobicContact CG-CD1 4.4Å; P351-F401 HydrophobicContact CG-CE1 4.09Å; S397-F401 WeakPolarHBondContact O-CB 3.42Å; S397-F401 PolarHBondContact O-N 3.11Å; Q398-F401 PolarHBondContact O-N 3.46Å; V399-F401 PolarHBondContact O-N 2.95Å; F401-I405 HydrophobicContact CD2-CB 3.96Å; F401-I405 HydrophobicContact CD2-CG1 4.09Å; F401-I405 HydrophobicContact CD2-CG2 4.32Å; F401-I405 HydrophobicContact CE2-CB 4.04Å; F401-I405 HydrophobicContact CE2-CG1 4.42Å; F401-I405 HydrophobicContact CE2-CG2 3.88Å; F401-I405 WeakPolarHBondContact O-CB 3.42Å; F401-I405 PolarHBondContact O-N 3.2Å; F401-I405 VanDerWaalsContact O-N 3.1Å; F401-V406 HydrophobicContact CD1-CG2 3.58Å; F401-V406 HydrophobicContact CD2-CG2 4.32Å; F401-V406 HydrophobicContact CE1-CG2 3.28Å; F401-V406 HydrophobicContact CE2-CG2 4.07Å; F401-V406 HydrophobicContact CG-CG2 4.11Å; F401-V406 HydrophobicContact CZ-CG2 3.58Å; F401-V406 PolarHBondContact O-N 3.29Å; F401-V406 VanDerWaalsContact O-N 3.08Å
402I98.1Very high95.7Very high0 Ų040.8 Ų40.80%021%0.207CC..Iπ-helixtrans-65.4-53.2175.1-65.4166.8000110.7P351 Y358 Q398 V399 G400 Y404 V406 H407 L428 R432P351-I402 HydrophobicContact CB-CD1 4.09Å; P351-I402 HydrophobicContact CB-CG1 3.95Å; P351-I402 HydrophobicContact CG-CG1 4.45Å; Y358-I402 HydrophobicContact CE1-CD1 4.15Å; Q398-I402 VanDerWaalsContact O-CG1 3.31Å; Q398-I402 WeakPolarHBondContact O-CG1 3.32Å; Q398-I402 PolarHBondContact O-N 3.21Å; V399-I402 PolarHBondContact O-N 3.13Å; G400-I402 VanDerWaalsContact C-N 3.31Å; G400-I402 PolarHBondContact O-N 2.94Å; I402-Y404 VanDerWaalsContact C-N 3.34Å; I402-Y404 PolarHBondContact O-N 3.48Å; I402-V406 PolarHBondContact O-N 3.21Å; I402-H407 HydrophobicContact CG2-CB 4.09Å; I402-H407 WeakPolarHBondContact O-CB 3.16Å; I402-H407 PolarHBondContact O-N 3.44Å; I402-L428 HydrophobicContact CD1-CD1 4.22Å; I402-L428 HydrophobicContact CG1-CD1 4.06Å; I402-L428 HydrophobicContact CG2-CD1 3.67Å; I402-L428 HydrophobicContact CG2-CD2 4.44Å; I402-L428 HydrophobicContact CG2-CG 4.01Å; I402-R432 HydrophobicContact CB-CB 4.42Å; I402-R432 HydrophobicContact CB-CG 4.1Å; I402-R432 HydrophobicContact CD1-CB 3.79Å; I402-R432 HydrophobicContact CD1-CG 4.2Å; I402-R432 HydrophobicContact CG2-CB 3.91Å; I402-R432 HydrophobicContact CG2-CG 3.78Å
403D96.2Very high96.2Very high54 Ų5439.6 Ų39.629%0.28920%0.198SC..Iπ-helixtrans-61.8-39.4-173.7-68.3-11.9000113V399 G400 P408 R432V399-D403 VanDerWaalsContact O-CG 3.26Å; V399-D403 PolarHBondContact O-N 3.36Å; G400-D403 PolarHBondContact O-N 2.98Å; D403-P408 WeakPolarHBondContact O-CD 3.41Å; D403-R432 IonicContact OD1-CZ 3.28Å; D403-R432 IonicContact OD1-NE 3.99Å; D403-R432 PolarHBondContact OD1-NE 3.17Å; D403-R432 IonicContact OD1-NH2 2.77Å; D403-R432 PolarHBondContact OD1-NH2 2.81Å; D403-R432 IonicContact OD2-CZ 2.69Å; D403-R432 IonicContact OD2-NE 3.44Å; D403-R432 IonicContact OD2-NH2 3.71Å; D403-R432 PolarHBondContact OD2-NH2 2.81Å
404Y92.1Very high96.5Very high173 Ų17338 Ų3868%0.67819%0.187SC*.Iπ-helixtrans-99.6-19.6-171.1-60.2-58.6000114.7G400 I402G400-Y404 WeakPolarHBondContact O-CB 3.47Å; G400-Y404 WeakPolarHBondContact O-CD2 3.25Å; G400-Y404 PolarHBondContact O-N 3.39Å; I402-Y404 VanDerWaalsContact C-N 3.34Å; I402-Y404 PolarHBondContact O-N 3.48Å
405I96.9Very high96.6Very high44 Ų4440.2 Ų40.223%0.22620%0.198CC..Iπ-helixtrans-126-58.5-173-53.5-64.7000111.3H305 M306 L348 F401 L409H305-I405 VanDerWaalsContact CE1-CG2 3.44Å; H305-I405 WeakPolarHBondContact CE1-CG2 3.19Å; H305-I405 PolarHBondContact CE1-O 2.73Å; M306-I405 HydrophobicContact CE-CD1 3.83Å; L348-I405 HydrophobicContact CD1-CG2 4.32Å; F401-I405 HydrophobicContact CD2-CB 3.96Å; F401-I405 HydrophobicContact CD2-CG1 4.09Å; F401-I405 HydrophobicContact CD2-CG2 4.32Å; F401-I405 HydrophobicContact CE2-CB 4.04Å; F401-I405 HydrophobicContact CE2-CG1 4.42Å; F401-I405 HydrophobicContact CE2-CG2 3.88Å; F401-I405 WeakPolarHBondContact O-CB 3.42Å; F401-I405 PolarHBondContact O-N 3.2Å; F401-I405 VanDerWaalsContact O-N 3.1Å; I405-L409 WeakPolarHBondContact O-CB 3.41Å; I405-L409 PolarHBondContact O-N 3.46Å
406V98.4Very high96.7Very high0 Ų037.8 Ų37.80%019%0.187CC..Iπ-helixtrans-76.7-46.2-168.2-176.40000111.4P351 T352 F401 I402 L409 W410 L428P351-V406 HydrophobicContact CB-CG1 4.17Å; P351-V406 HydrophobicContact CG-CG1 4.1Å; P351-V406 HydrophobicContact CG-CG2 4.07Å; T352-V406 HydrophobicContact CG2-CG1 4.43Å; F401-V406 HydrophobicContact CD1-CG2 3.58Å; F401-V406 HydrophobicContact CD2-CG2 4.32Å; F401-V406 HydrophobicContact CE1-CG2 3.28Å; F401-V406 HydrophobicContact CE2-CG2 4.07Å; F401-V406 HydrophobicContact CG-CG2 4.11Å; F401-V406 HydrophobicContact CZ-CG2 3.58Å; F401-V406 PolarHBondContact O-N 3.29Å; F401-V406 VanDerWaalsContact O-N 3.08Å; I402-V406 PolarHBondContact O-N 3.21Å; V406-L409 PolarHBondContact O-N 3.25Å; V406-W410 VanDerWaalsContact CG1-CD1 3.48Å; V406-W410 PolarHBondContact O-N 2.72Å; V406-L428 HydrophobicContact CG1-CD1 3.89Å; V406-L428 HydrophobicContact CG1-CD2 4.07Å
407H98.1Very high96.8Very high48 Ų4832.6 Ų32.622%0.22216%0.164CC..Hα-helixtrans-63.5-50.7-178.7-175-71.3000112.2I402 L409 W410 E411 L428I402-H407 HydrophobicContact CG2-CB 4.09Å; I402-H407 WeakPolarHBondContact O-CB 3.16Å; I402-H407 PolarHBondContact O-N 3.44Å; H407-L409 PolarHBondContact O-N 3.14Å; H407-W410 PolarHBondContact O-N 3.11Å; H407-E411 IonicContact CE1-OE1 3.91Å; H407-E411 IonicContact ND1-OE2 3.56Å; H407-E411 WeakPolarHBondContact O-CB 3.38Å; H407-E411 PolarHBondContact O-N 3.45Å; H407-L428 HydrophobicContact CB-CD2 4.13Å
408P98.4Very high96.9Very high27 Ų2736.9 Ų36.918%0.17518%0.18CC..Hα-helixtrans-58.7-35.3178.1-2535.6000113.4L309 D403 T412L309-P408 HydrophobicContact CD2-CB 4.06Å; D403-P408 WeakPolarHBondContact O-CD 3.41Å; P408-T412 WeakPolarHBondContact O-CB 3.32Å; P408-T412 PolarHBondContact O-N 3.08Å; P408-T412 VanDerWaalsContact O-N 3.17Å; P408-T412 PolarHBondContact O-OG1 2.88Å
409L98.4Very high96.7Very high0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-67.2-53176.2176.163.7000111.9L312 L348 I405 V406 H407 E411 T412 W413L312-L409 HydrophobicContact CD2-CD1 4.27Å; L348-L409 HydrophobicContact CB-CD2 4.2Å; L348-L409 HydrophobicContact CD1-CD2 3.58Å; L348-L409 HydrophobicContact CG-CD2 4.48Å; I405-L409 WeakPolarHBondContact O-CB 3.41Å; I405-L409 PolarHBondContact O-N 3.46Å; V406-L409 PolarHBondContact O-N 3.25Å; H407-L409 PolarHBondContact O-N 3.14Å; L409-E411 VanDerWaalsContact C-N 3.34Å; L409-T412 PolarHBondContact O-N 2.78Å; L409-W413 WeakPolarHBondContact O-CB 3.27Å; L409-W413 PolarHBondContact O-N 3.42Å
410W98.6Very high96.6Very high0 Ų042.4 Ų42.40%021%0.214CC..Hα-helixtrans-69.8-31.6-177.7-82.8100.6000112.8W131 L204 C345 L348 T352 V406 H407 W413 A414 I424 L425 L428W131-W410 AromaticContact CH2-CH2 3.58Å; W131-W410 HydrophobicContact CH2-CH2 3.58Å; W131-W410 HydrophobicContact CH2-CZ2 4Å; W131-W410 AromaticContact CZ2-CH2 3.78Å; W131-W410 HydrophobicContact CZ2-CH2 3.78Å; W131-W410 AromaticContact CZ2-CZ2 4Å; W131-W410 HydrophobicContact CZ2-CZ2 4Å; L204-W410 HydrophobicContact CD1-CH2 4.21Å; L204-W410 HydrophobicContact CD2-CH2 4.08Å; L204-W410 HydrophobicContact CD2-CZ3 4.16Å; C345-W410 HydrophobicContact CB-CH2 4.1Å; C345-W410 HydrophobicContact CB-CZ2 3.95Å; C345-W410 WeakPolarHBondContact O-CZ2 3.45Å; L348-W410 PolarHBondContact O-NE1 3.34Å; T352-W410 HydrophobicContact CG2-CD2 3.95Å; T352-W410 HydrophobicContact CG2-CG 3.91Å; T352-W410 HydrophobicContact CG2-CZ2 4.27Å; V406-W410 VanDerWaalsContact CG1-CD1 3.48Å; V406-W410 PolarHBondContact O-N 2.72Å; H407-W410 PolarHBondContact O-N 3.11Å; W410-W413 AromaticContact CE3-CD1 3.86Å; W410-W413 HydrophobicContact CE3-CG 4.38Å; W410-W413 AromaticContact CZ3-CD1 3.75Å; W410-W413 HydrophobicContact CZ3-CG 4.47Å; W410-W413 PolarHBondContact O-N 3.07Å; W410-A414 VanDerWaalsContact O-CB 3.25Å; W410-A414 WeakPolarHBondContact O-CB 3.43Å; W410-A414 PolarHBondContact O-N 2.65Å; W410-I424 HydrophobicContact CD2-CG2 4.11Å; W410-I424 HydrophobicContact CE3-CG2 3.69Å; W410-I424 HydrophobicContact CH2-CD1 4.33Å; W410-I424 HydrophobicContact CH2-CG2 4.12Å; W410-I424 HydrophobicContact CZ2-CG2 4.5Å; W410-I424 HydrophobicContact CZ3-CD1 3.9Å; W410-I424 HydrophobicContact CZ3-CG2 3.72Å; W410-L425 HydrophobicContact CB-CD2 3.82Å; W410-L428 HydrophobicContact CB-CD2 4.15Å
411E98.3Very high96.8Very high87 Ų8741.7 Ų41.741%0.40721%0.206SC..Hα-helixtrans-61.7-51.7172179.2-179.7-132.800110H407 L409 W413 A414 D415H407-E411 IonicContact CE1-OE1 3.91Å; H407-E411 IonicContact ND1-OE2 3.56Å; H407-E411 WeakPolarHBondContact O-CB 3.38Å; H407-E411 PolarHBondContact O-N 3.45Å; L409-E411 VanDerWaalsContact C-N 3.34Å; E411-W413 VanDerWaalsContact C-N 3.31Å; E411-W413 PolarHBondContact O-N 3.4Å; E411-A414 PolarHBondContact O-N 3.38Å; E411-A414 VanDerWaalsContact O-N 3.14Å; E411-D415 PolarHBondContact O-N 2.94Å
412T97.9Very high96.8Very high6 Ų642 Ų424%0.03721%0.209CC..Hα-helixtrans-63.2-38.3177.9-50.20000111.5L309 L312 K313 V316 P408 L409 D415 L416L309-T412 HydrophobicContact CD1-CG2 4.4Å; L309-T412 WeakPolarHBondContact CD1-OG1 3.48Å; L312-T412 HydrophobicContact CB-CG2 4.13Å; L312-T412 HydrophobicContact CD2-CG2 3.84Å; L312-T412 HydrophobicContact CG-CG2 3.69Å; K313-T412 HydrophobicContact CB-CG2 4.32Å; K313-T412 HydrophobicContact CG-CG2 3.54Å; V316-T412 HydrophobicContact CG2-CG2 3.95Å; V316-T412 WeakPolarHBondContact CG2-O 3.33Å; P408-T412 WeakPolarHBondContact O-CB 3.32Å; P408-T412 PolarHBondContact O-N 3.08Å; P408-T412 VanDerWaalsContact O-N 3.17Å; P408-T412 PolarHBondContact O-OG1 2.88Å; L409-T412 PolarHBondContact O-N 2.78Å; T412-D415 PolarHBondContact O-N 3.29Å; T412-L416 PolarHBondContact O-N 3.21Å; T412-L416 VanDerWaalsContact O-N 3.11Å
413W98.3Very high96.8Very high0 Ų048.3 Ų48.30%024%0.242CC..Hα-helixtrans-62.6-46.1173.5178-94000111.5L204 L210 L312 V338 N341 M342 L409 W410 E411 D415 L416 V417L204-W413 HydrophobicContact CB-CZ2 4.26Å; L204-W413 HydrophobicContact CD2-CZ2 4.32Å; L210-W413 HydrophobicContact CD1-CH2 4.12Å; L210-W413 HydrophobicContact CD1-CZ2 4.18Å; L312-W413 HydrophobicContact CD2-CB 4.45Å; V338-W413 HydrophobicContact CG1-CH2 4.15Å; V338-W413 HydrophobicContact CG1-CZ3 4.13Å; N341-W413 HydrophobicContact CB-CZ3 4.46Å; M342-W413 HydrophobicContact CB-CH2 3.66Å; M342-W413 HydrophobicContact CB-CZ3 3.96Å; M342-W413 HydrophobicContact CE-CH2 3.73Å; M342-W413 HydrophobicContact CE-CZ2 4.24Å; M342-W413 HydrophobicContact CG-CH2 3.9Å; M342-W413 HydrophobicContact CG-CZ2 4.37Å; L409-W413 WeakPolarHBondContact O-CB 3.27Å; L409-W413 PolarHBondContact O-N 3.42Å; W410-W413 AromaticContact CE3-CD1 3.86Å; W410-W413 HydrophobicContact CE3-CG 4.38Å; W410-W413 AromaticContact CZ3-CD1 3.75Å; W410-W413 HydrophobicContact CZ3-CG 4.47Å; W410-W413 PolarHBondContact O-N 3.07Å; E411-W413 VanDerWaalsContact C-N 3.31Å; E411-W413 PolarHBondContact O-N 3.4Å; W413-D415 VanDerWaalsContact C-N 3.31Å; W413-D415 PolarHBondContact O-N 2.77Å; W413-L416 WeakPolarHBondContact O-CB 3.31Å; W413-L416 PolarHBondContact O-N 2.89Å; W413-L416 VanDerWaalsContact O-N 3.08Å; W413-V417 HydrophobicContact CZ2-CG1 4.27Å; W413-V417 WeakPolarHBondContact O-CG2 3.38Å; W413-V417 PolarHBondContact O-N 3.39Å; W413-V417 VanDerWaalsContact O-N 3.1Å
414A97.6Very high96.9Very high6 Ų646.6 Ų46.65%0.0523%0.233CC..Hα-helixtrans-62.6-38.4178.300000112W410 E411 L416 V417 H418 A421 L425W410-A414 VanDerWaalsContact O-CB 3.25Å; W410-A414 WeakPolarHBondContact O-CB 3.43Å; W410-A414 PolarHBondContact O-N 2.65Å; E411-A414 PolarHBondContact O-N 3.38Å; E411-A414 VanDerWaalsContact O-N 3.14Å; A414-L416 VanDerWaalsContact C-N 3.29Å; A414-L416 PolarHBondContact O-N 3.1Å; A414-V417 CarbonylContact O-C 3.47Å; A414-V417 PolarHBondContact O-N 3.38Å; A414-H418 WeakPolarHBondContact O-CA 3.39Å; A414-H418 VanDerWaalsContact O-CB 3.32Å; A414-H418 WeakPolarHBondContact O-CB 3.47Å; A414-H418 PolarHBondContact O-N 3.31Å; A414-A421 HydrophobicContact CB-CB 3.89Å; A414-L425 HydrophobicContact CB-CD1 3.39Å; A414-L425 HydrophobicContact CB-CG 3.95Å
415D96.8Very high97.2Very high81 Ų8139.1 Ų39.143%0.43321%0.205SC..Hα-helixtrans-61.7-38172.5-77.3-22.9000112.1V316 K319 E411 T412 W413V316-D415 HydrophobicContact CG1-CB 3.87Å; V316-D415 HydrophobicContact CG2-CB 4.29Å; K319-D415 PolarHBondContact NZ-O 2.91Å; E411-D415 PolarHBondContact O-N 2.94Å; T412-D415 PolarHBondContact O-N 3.29Å; W413-D415 VanDerWaalsContact C-N 3.31Å; W413-D415 PolarHBondContact O-N 2.77Å
416L96Very high97.2Very high5 Ų540.2 Ų40.23%0.02621%0.211CC..Hα-helixtrans-63.4-45.6177-175.165000111.5L312 M315 V316 K319 L327 V338 T412 W413 A414L312-L416 HydrophobicContact CD1-CD2 3.76Å; M315-L416 HydrophobicContact CG-CD1 4.17Å; M315-L416 HydrophobicContact SD-CD1 4.46Å; M315-L416 HydrophobicContact SD-CD2 4.45Å; V316-L416 HydrophobicContact CG2-CB 3.84Å; V316-L416 HydrophobicContact CG2-CD1 4.18Å; K319-L416 HydrophobicContact CB-CD1 4.49Å; L327-L416 HydrophobicContact CD1-CD1 4.06Å; L327-L416 HydrophobicContact CD2-CD1 3.88Å; L327-L416 HydrophobicContact CD2-CD2 4.31Å; L327-L416 HydrophobicContact CD2-CG 4.11Å; V338-L416 HydrophobicContact CG1-CD2 4.47Å; V338-L416 HydrophobicContact CG2-CD2 4.23Å; T412-L416 PolarHBondContact O-N 3.21Å; T412-L416 VanDerWaalsContact O-N 3.11Å; W413-L416 WeakPolarHBondContact O-CB 3.31Å; W413-L416 PolarHBondContact O-N 2.89Å; W413-L416 VanDerWaalsContact O-N 3.08Å; A414-L416 VanDerWaalsContact C-N 3.29Å; A414-L416 PolarHBondContact O-N 3.1Å
417V96.3Very high97.2Very high1 Ų142.3 Ų42.31%0.00622%0.224CC..THydrogen-bonded Turntrans-105.718.3-173.5-56.10000114.3T207 A209 L210 W413 A414 D420 A421T207-V417 HydrophobicContact CG2-CB 3.71Å; T207-V417 HydrophobicContact CG2-CG1 4.02Å; T207-V417 HydrophobicContact CG2-CG2 4Å; A209-V417 HydrophobicContact CB-CB 3.95Å; A209-V417 HydrophobicContact CB-CG1 4.31Å; L210-V417 HydrophobicContact CD1-CG1 4.15Å; L210-V417 HydrophobicContact CD2-CG1 4.49Å; L210-V417 HydrophobicContact CG-CG1 4.18Å; W413-V417 HydrophobicContact CZ2-CG1 4.27Å; W413-V417 WeakPolarHBondContact O-CG2 3.38Å; W413-V417 PolarHBondContact O-N 3.39Å; W413-V417 VanDerWaalsContact O-N 3.1Å; A414-V417 CarbonylContact O-C 3.47Å; A414-V417 PolarHBondContact O-N 3.38Å; V417-D420 HydrophobicContact CG2-CB 4.42Å; V417-D420 WeakPolarHBondContact O-CB 3.49Å; V417-D420 PolarHBondContact O-N 3Å; V417-A421 HydrophobicContact CG2-CB 3.94Å
418H93.6Very high97.3Very high124 Ų12440 Ų4057%0.57421%0.213SC*.THydrogen-bonded Turntrans-53.8132.9-174.8171.8-78000111.7A414A414-H418 WeakPolarHBondContact O-CA 3.39Å; A414-H418 VanDerWaalsContact O-CB 3.32Å; A414-H418 WeakPolarHBondContact O-CB 3.47Å; A414-H418 PolarHBondContact O-N 3.31Å
419P94.9Very high97.3Very high81 Ų8143.1 Ų43.153%0.52623%0.225SC..THydrogen-bonded Turncis-97.610.21138.1-35.8000115A421 Q422P419-A421 VanDerWaalsContact C-N 3.29Å; P419-A421 PolarHBondContact O-N 3.05Å; P419-A421 VanDerWaalsContact O-N 3.13Å; P419-Q422 PolarHBondContact O-N 2.94Å
420D94.9Very high97.3Very high62 Ų6248.5 Ų48.533%0.33225%0.254SS..THydrogen-bonded Turntrans-68-21.4-158.2-62.2-36.2000115.3T207 P208 A209 V417T207-D420 HydrophobicContact CG2-CB 3.58Å; T207-D420 WeakPolarHBondContact CG2-OD2 3.25Å; P208-D420 WeakPolarHBondContact CD-OD2 3.36Å; A209-D420 WeakPolarHBondContact CB-OD2 3.45Å; A209-D420 PolarHBondContact N-OD2 3.42Å; V417-D420 HydrophobicContact CG2-CB 4.42Å; V417-D420 WeakPolarHBondContact O-CB 3.49Å; V417-D420 PolarHBondContact O-N 3Å
421A96.5Very high97.3Very high4 Ų448.8 Ų48.83%0.03326%0.256CS..THydrogen-bonded Turntrans-103.210-176.900000114.1A414 V417 P419 D423 I424 L425A414-A421 HydrophobicContact CB-CB 3.89Å; V417-A421 HydrophobicContact CG2-CB 3.94Å; P419-A421 VanDerWaalsContact C-N 3.29Å; P419-A421 PolarHBondContact O-N 3.05Å; P419-A421 VanDerWaalsContact O-N 3.13Å; A421-D423 PolarHBondContact O-N 3.28Å; A421-I424 HydrophobicContact CB-CD1 4.44Å; A421-I424 WeakPolarHBondContact O-CB 3.4Å; A421-I424 PolarHBondContact O-N 3.4Å; A421-I424 VanDerWaalsContact O-N 3.11Å; A421-L425 PolarHBondContact O-N 3.44Å
422Q96.9Very high97.3Very high80 Ų8047.2 Ų47.237%0.37425%0.246SC..Hα-helixtrans-60.4-45.3-175.8-169.861.652.300112.7P419 I424 L425 D426P419-Q422 PolarHBondContact O-N 2.94Å; Q422-I424 PolarHBondContact O-N 3.45Å; Q422-I424 VanDerWaalsContact O-N 3.14Å; Q422-L425 WeakPolarHBondContact O-CB 3.31Å; Q422-L425 PolarHBondContact O-N 3.39Å; Q422-D426 PolarHBondContact NE2-OD1 2.9Å; Q422-D426 PolarHBondContact O-N 2.93Å
423D97.4Very high97.3Very high131 Ų13151 Ų5170%0.70127%0.266SS*.Hα-helixtrans-60.2-29178.5-66.3-17.5000112.5A421 T427A421-D423 PolarHBondContact O-N 3.28Å; D423-T427 WeakPolarHBondContact O-CB 3.5Å; D423-T427 PolarHBondContact O-N 3.03Å; D423-T427 VanDerWaalsContact O-N 3.13Å; D423-T427 PolarHBondContact O-OG1 3.13Å
424I98.3Very high97.3Very high18 Ų1854.4 Ų54.49%0.09228%0.279CS..Hα-helixtrans-70.6-42.8176.7-60.1-179.2000110W131 T352 W410 A421 Q422 L428W131-I424 HydrophobicContact CD2-CD1 4.06Å; W131-I424 HydrophobicContact CD2-CG1 4.46Å; W131-I424 HydrophobicContact CE3-CD1 4.37Å; W131-I424 HydrophobicContact CG-CD1 4.44Å; W131-I424 HydrophobicContact CG-CG1 4.41Å; W131-I424 HydrophobicContact CZ2-CD1 4.31Å; W131-I424 HydrophobicContact CZ2-CG2 4.45Å; T352-I424 HydrophobicContact CG2-CG2 3.81Å; T352-I424 WeakPolarHBondContact OG1-CG2 3.26Å; W410-I424 HydrophobicContact CD2-CG2 4.11Å; W410-I424 HydrophobicContact CE3-CG2 3.69Å; W410-I424 HydrophobicContact CH2-CD1 4.33Å; W410-I424 HydrophobicContact CH2-CG2 4.12Å; W410-I424 HydrophobicContact CZ2-CG2 4.5Å; W410-I424 HydrophobicContact CZ3-CD1 3.9Å; W410-I424 HydrophobicContact CZ3-CG2 3.72Å; A421-I424 HydrophobicContact CB-CD1 4.44Å; A421-I424 WeakPolarHBondContact O-CB 3.4Å; A421-I424 PolarHBondContact O-N 3.4Å; A421-I424 VanDerWaalsContact O-N 3.11Å; Q422-I424 PolarHBondContact O-N 3.45Å; Q422-I424 VanDerWaalsContact O-N 3.14Å; I424-L428 WeakPolarHBondContact O-CB 3.41Å; I424-L428 PolarHBondContact O-N 2.97Å
425L98Very high97.3Very high16 Ų1654.6 Ų54.68%0.08428%0.279CS..Hα-helixtrans-65.6-46.2175.1-74.9-178.1000112.1W410 A414 A421 Q422 T427 L428 E429W410-L425 HydrophobicContact CB-CD2 3.82Å; A414-L425 HydrophobicContact CB-CD1 3.39Å; A414-L425 HydrophobicContact CB-CG 3.95Å; A421-L425 PolarHBondContact O-N 3.44Å; Q422-L425 WeakPolarHBondContact O-CB 3.31Å; Q422-L425 PolarHBondContact O-N 3.39Å; L425-T427 VanDerWaalsContact C-N 3.26Å; L425-T427 PolarHBondContact O-N 3.48Å; L425-L428 WeakPolarHBondContact O-CA 3.48Å; L425-L428 VanDerWaalsContact O-CB 3.31Å; L425-L428 WeakPolarHBondContact O-CB 3.42Å; L425-L428 PolarHBondContact O-N 3.01Å; L425-E429 PolarHBondContact O-N 2.91Å
426D98.3Very high97.3Very high67 Ų6754.7 Ų54.736%0.35828%0.277SS..Hα-helixtrans-58.5-43179-64.7-1.3000110.5Q422 L428 E429 D430Q422-D426 PolarHBondContact NE2-OD1 2.9Å; Q422-D426 PolarHBondContact O-N 2.93Å; D426-L428 PolarHBondContact O-N 2.8Å; D426-E429 PolarHBondContact O-N 3.42Å; D426-D430 PolarHBondContact O-N 3.47Å
427T98.6Very high97.4Very high45 Ų4558.6 Ų58.628%0.27630%0.304SS..Hα-helixtrans-64.6-38.3175.6-57.30000112.3T352 K353 D423 L425 D430 N431T352-T427 WeakPolarHBondContact O-CG2 3.31Å; K353-T427 WeakPolarHBondContact O-CG2 3.39Å; D423-T427 WeakPolarHBondContact O-CB 3.5Å; D423-T427 PolarHBondContact O-N 3.03Å; D423-T427 VanDerWaalsContact O-N 3.13Å; D423-T427 PolarHBondContact O-OG1 3.13Å; L425-T427 VanDerWaalsContact C-N 3.26Å; L425-T427 PolarHBondContact O-N 3.48Å; T427-D430 PolarHBondContact O-N 3.31Å; T427-N431 WeakPolarHBondContact O-CB 3.45Å; T427-N431 VanDerWaalsContact O-CG 3.25Å; T427-N431 PolarHBondContact O-N 3.28Å; T427-N431 PolarHBondContact O-ND2 2.99Å
428L98.8Very high97.3Very high0 Ų062.8 Ų62.80%033%0.325CS..Hα-helixtrans-62.5-46.1176.5178.559000111.4P351 T352 I402 V406 H407 W410 I424 L425 D426 N431 R432P351-L428 HydrophobicContact CB-CD1 3.58Å; T352-L428 HydrophobicContact CG2-CB 4.1Å; T352-L428 HydrophobicContact CG2-CD1 4.07Å; T352-L428 HydrophobicContact CG2-CD2 4.19Å; T352-L428 HydrophobicContact CG2-CG 4.35Å; I402-L428 HydrophobicContact CD1-CD1 4.22Å; I402-L428 HydrophobicContact CG1-CD1 4.06Å; I402-L428 HydrophobicContact CG2-CD1 3.67Å; I402-L428 HydrophobicContact CG2-CD2 4.44Å; I402-L428 HydrophobicContact CG2-CG 4.01Å; V406-L428 HydrophobicContact CG1-CD1 3.89Å; V406-L428 HydrophobicContact CG1-CD2 4.07Å; H407-L428 HydrophobicContact CB-CD2 4.13Å; W410-L428 HydrophobicContact CB-CD2 4.15Å; I424-L428 WeakPolarHBondContact O-CB 3.41Å; I424-L428 PolarHBondContact O-N 2.97Å; L425-L428 WeakPolarHBondContact O-CA 3.48Å; L425-L428 VanDerWaalsContact O-CB 3.31Å; L425-L428 WeakPolarHBondContact O-CB 3.42Å; L425-L428 PolarHBondContact O-N 3.01Å; D426-L428 PolarHBondContact O-N 2.8Å; L428-N431 PolarHBondContact O-N 2.77Å; L428-R432 VanDerWaalsContact O-CB 3.31Å; L428-R432 WeakPolarHBondContact O-CB 3.48Å; L428-R432 PolarHBondContact O-N 2.91Å
429E98.3Very high97.3Very high91 Ų9158.4 Ų58.443%0.42531%0.305SS..Hα-helixtrans-62.3-45.4176.8-70.5-176.5-170.500111.6L425 D426 N431 R432 N433L425-E429 PolarHBondContact O-N 2.91Å; D426-E429 PolarHBondContact O-N 3.42Å; E429-N431 PolarHBondContact O-N 2.89Å; E429-R432 WeakPolarHBondContact O-CB 3.5Å; E429-R432 PolarHBondContact O-N 2.9Å; E429-N433 WeakPolarHBondContact O-CB 3.42Å; E429-N433 PolarHBondContact O-N 3.43Å; E429-N433 PolarHBondContact O-ND2 2.88Å; E429-N433 VanDerWaalsContact O-ND2 3.12Å
430D98.6Very high96.8Very high113 Ų11358.8 Ų58.860%0.60431%0.308SS*.Hα-helixtrans-58.6-46.5176.2-84.7-14.7000111.8D426 T427 N433 W434D426-D430 PolarHBondContact O-N 3.47Å; T427-D430 PolarHBondContact O-N 3.31Å; D430-N433 PolarHBondContact O-N 2.69Å; D430-W434 WeakPolarHBondContact O-CB 3.37Å; D430-W434 PolarHBondContact O-N 3.45Å
431N98.7Very high95.8Very high7 Ų764.9 Ų64.94%0.03733%0.334CS..Hα-helixtrans-64.8-41177.6-76.8-21.2000112.2P351 K353 L355 Y358 T427 L428 E429 W434 Y435P351-N431 PolarHBondContact O-ND2 3.18Å; K353-N431 PolarHBondContact O-ND2 3.12Å; L355-N431 WeakPolarHBondContact CA-OD1 3.39Å; L355-N431 WeakPolarHBondContact CB-OD1 3.44Å; Y358-N431 HydrophobicContact CD1-CB 3.84Å; Y358-N431 HydrophobicContact CE1-CB 4.05Å; T427-N431 WeakPolarHBondContact O-CB 3.45Å; T427-N431 VanDerWaalsContact O-CG 3.25Å; T427-N431 PolarHBondContact O-N 3.28Å; T427-N431 PolarHBondContact O-ND2 2.99Å; L428-N431 PolarHBondContact O-N 2.77Å; E429-N431 PolarHBondContact O-N 2.89Å; N431-W434 WeakPolarHBondContact O-CB 3.29Å; N431-W434 PolarHBondContact O-N 3.02Å; N431-Y435 WeakPolarHBondContact O-CD2 3.37Å; N431-Y435 PolarHBondContact O-N 2.83Å
432R98.5Very high94.2Very high53 Ų5368.9 Ų68.920%0.236%0.362CS..Hα-helixtrans-60.9-46.1175.3-174.7-96.1-178-123.2-4.4111.3V399 I402 D403 L428 E429 W434 Y435 Q436V399-R432 VanDerWaalsContact CG1-NH2 3.28Å; I402-R432 HydrophobicContact CB-CB 4.42Å; I402-R432 HydrophobicContact CB-CG 4.1Å; I402-R432 HydrophobicContact CD1-CB 3.79Å; I402-R432 HydrophobicContact CD1-CG 4.2Å; I402-R432 HydrophobicContact CG2-CB 3.91Å; I402-R432 HydrophobicContact CG2-CG 3.78Å; D403-R432 IonicContact OD1-CZ 3.28Å; D403-R432 IonicContact OD1-NE 3.99Å; D403-R432 PolarHBondContact OD1-NE 3.17Å; D403-R432 IonicContact OD1-NH2 2.77Å; D403-R432 PolarHBondContact OD1-NH2 2.81Å; D403-R432 IonicContact OD2-CZ 2.69Å; D403-R432 IonicContact OD2-NE 3.44Å; D403-R432 IonicContact OD2-NH2 3.71Å; D403-R432 PolarHBondContact OD2-NH2 2.81Å; L428-R432 VanDerWaalsContact O-CB 3.31Å; L428-R432 WeakPolarHBondContact O-CB 3.48Å; L428-R432 PolarHBondContact O-N 2.91Å; E429-R432 WeakPolarHBondContact O-CB 3.5Å; E429-R432 PolarHBondContact O-N 2.9Å; R432-W434 VanDerWaalsContact C-N 3.32Å; R432-W434 PolarHBondContact O-N 3.2Å; R432-Y435 PolarHBondContact O-N 3.12Å; R432-Q436 WeakPolarHBondContact O-CB 3.4Å; R432-Q436 PolarHBondContact O-N 3.4Å
433N98.3Very high92.1Very high86 Ų8671 Ų7146%0.4638%0.383SS..Hα-helixtrans-64.1-38.2176.9-72-31.5000111.9E429 D430 Q436 S437E429-N433 WeakPolarHBondContact O-CB 3.42Å; E429-N433 PolarHBondContact O-N 3.43Å; E429-N433 PolarHBondContact O-ND2 2.88Å; E429-N433 VanDerWaalsContact O-ND2 3.12Å; D430-N433 PolarHBondContact O-N 2.69Å; N433-Q436 PolarHBondContact O-N 3.12Å; N433-S437 WeakPolarHBondContact O-CB 3.37Å; N433-S437 PolarHBondContact O-N 3.43Å
434W98.3Very high89.7Confident71 Ų7169.7 Ų69.727%0.26938%0.384SS..Hα-helixtrans-60.9-51.8173.9-173.988.3000111.5L355 R359 D430 N431 R432 Q436 S437 M438L355-W434 HydrophobicContact CD1-CB 4.43Å; L355-W434 HydrophobicContact CD1-CD2 3.78Å; L355-W434 HydrophobicContact CD1-CE3 3.68Å; L355-W434 HydrophobicContact CD1-CG 4.11Å; L355-W434 HydrophobicContact CD1-CZ3 4.24Å; L355-W434 HydrophobicContact CD2-CB 4.45Å; L355-W434 HydrophobicContact CD2-CD2 3.74Å; L355-W434 HydrophobicContact CD2-CE3 4.45Å; L355-W434 HydrophobicContact CD2-CG 3.69Å; L355-W434 HydrophobicContact CD2-CZ2 4.45Å; L355-W434 HydrophobicContact CG-CD2 4.37Å; R359-W434 HydrophobicContact CG-CH2 4.32Å; R359-W434 HydrophobicContact CG-CZ3 4.22Å; D430-W434 WeakPolarHBondContact O-CB 3.37Å; D430-W434 PolarHBondContact O-N 3.45Å; N431-W434 WeakPolarHBondContact O-CB 3.29Å; N431-W434 PolarHBondContact O-N 3.02Å; R432-W434 VanDerWaalsContact C-N 3.32Å; R432-W434 PolarHBondContact O-N 3.2Å; W434-Q436 VanDerWaalsContact C-N 3.32Å; W434-Q436 PolarHBondContact O-N 3.46Å; W434-S437 PolarHBondContact O-N 3.16Å; W434-S437 VanDerWaalsContact O-N 3.1Å; W434-S437 PolarHBondContact O-OG 3.36Å; W434-M438 HydrophobicContact CD2-CG 4.05Å; W434-M438 HydrophobicContact CE3-CG 4.06Å; W434-M438 HydrophobicContact CH2-CE 4.23Å; W434-M438 HydrophobicContact CH2-CG 3.84Å; W434-M438 HydrophobicContact CH2-SD 4.39Å; W434-M438 HydrophobicContact CZ2-CE 4.23Å; W434-M438 HydrophobicContact CZ2-CG 3.82Å; W434-M438 HydrophobicContact CZ2-SD 4Å; W434-M438 HydrophobicContact CZ3-CG 3.96Å; W434-M438 WeakPolarHBondContact O-CG 3.31Å; W434-M438 PolarHBondContact O-N 2.68Å; W434-M438 VanDerWaalsContact O-N 3.16Å
435Y97.6Very high87.4Confident11 Ų1174 Ų744%0.04341%0.413CS..Hα-helixtrans-61.1-39.9177.2-88.6-71.9000112.4Y358 T362 E395 Q398 N431 R432 S437 M438 I439Y358-Y435 HydrophobicContact CD1-CD2 4.34Å; Y358-Y435 AromaticContact CD1-CE2 3.68Å; Y358-Y435 HydrophobicContact CD1-CE2 3.68Å; Y358-Y435 AromaticContact CE1-CD2 3.66Å; Y358-Y435 HydrophobicContact CE1-CD2 3.66Å; Y358-Y435 AromaticContact CE1-CE2 3.25Å; Y358-Y435 HydrophobicContact CE1-CE2 3.25Å; Y358-Y435 HydrophobicContact CE2-CE2 4.47Å; Y358-Y435 HydrophobicContact CG-CE2 4.47Å; Y358-Y435 AromaticContact CZ-CE2 3.67Å; T362-Y435 VanDerWaalsContact CB-OH 3.26Å; T362-Y435 WeakPolarHBondContact CB-OH 3.46Å; T362-Y435 WeakPolarHBondContact CG2-OH 3.42Å; T362-Y435 PolarHBondContact OG1-OH 3.35Å; E395-Y435 HydrophobicContact CB-CD1 4.28Å; E395-Y435 HydrophobicContact CG-CD1 4.26Å; Q398-Y435 HydrophobicContact CB-CD1 3.93Å; Q398-Y435 HydrophobicContact CB-CD2 4.09Å; Q398-Y435 HydrophobicContact CB-CE1 4.19Å; Q398-Y435 HydrophobicContact CB-CE2 4.35Å; Q398-Y435 HydrophobicContact CB-CG 3.86Å; Q398-Y435 HydrophobicContact CG-CD1 4.07Å; Q398-Y435 HydrophobicContact CG-CE1 3.83Å; Q398-Y435 HydrophobicContact CG-CE2 4.29Å; Q398-Y435 HydrophobicContact CG-CG 4.4Å; N431-Y435 WeakPolarHBondContact O-CD2 3.37Å; N431-Y435 PolarHBondContact O-N 2.83Å; R432-Y435 PolarHBondContact O-N 3.12Å; Y435-S437 VanDerWaalsContact C-N 3.28Å; Y435-S437 PolarHBondContact O-N 3.27Å; Y435-M438 PolarHBondContact O-N 3.1Å; Y435-M438 VanDerWaalsContact O-N 3.12Å; Y435-I439 PolarHBondContact O-N 3.37Å
436Q97Very high85.2Confident83 Ų8378.2 Ų78.239%0.38844%0.441SS..Hα-helixtrans-58.2-40.9174.1178.868.264.400112.3V399 R432 N433 W434 M438 I439V399-Q436 HydrophobicContact CG2-CB 3.98Å; R432-Q436 WeakPolarHBondContact O-CB 3.4Å; R432-Q436 PolarHBondContact O-N 3.4Å; N433-Q436 PolarHBondContact O-N 3.12Å; W434-Q436 VanDerWaalsContact C-N 3.32Å; W434-Q436 PolarHBondContact O-N 3.46Å; Q436-M438 VanDerWaalsContact C-N 3.26Å; Q436-M438 PolarHBondContact O-N 2.98Å; Q436-I439 PolarHBondContact O-N 3.39Å
437S96.7Very high82.6Confident87 Ų8784.8 Ų84.861%0.60847%0.467SS*.Hα-helixtrans-70.2-23.2178.979.40000113.5N433 W434 Y435N433-S437 WeakPolarHBondContact O-CB 3.37Å; N433-S437 PolarHBondContact O-N 3.43Å; W434-S437 PolarHBondContact O-N 3.16Å; W434-S437 VanDerWaalsContact O-N 3.1Å; W434-S437 PolarHBondContact O-OG 3.36Å; Y435-S437 VanDerWaalsContact C-N 3.28Å; Y435-S437 PolarHBondContact O-N 3.27Å
438M95Very high80Confident89 Ų8992.9 Ų92.944%0.43849%0.494SS..Hα-helixtrans-85.1-11.8179.1-68.1-65.6-66.600113.1E395 W434 Y435 Q436 P440E395-M438 HydrophobicContact CG-CB 3.91Å; W434-M438 HydrophobicContact CD2-CG 4.05Å; W434-M438 HydrophobicContact CE3-CG 4.06Å; W434-M438 HydrophobicContact CH2-CE 4.23Å; W434-M438 HydrophobicContact CH2-CG 3.84Å; W434-M438 HydrophobicContact CH2-SD 4.39Å; W434-M438 HydrophobicContact CZ2-CE 4.23Å; W434-M438 HydrophobicContact CZ2-CG 3.82Å; W434-M438 HydrophobicContact CZ2-SD 4Å; W434-M438 HydrophobicContact CZ3-CG 3.96Å; W434-M438 WeakPolarHBondContact O-CG 3.31Å; W434-M438 PolarHBondContact O-N 2.68Å; W434-M438 VanDerWaalsContact O-N 3.16Å; Y435-M438 PolarHBondContact O-N 3.1Å; Y435-M438 VanDerWaalsContact O-N 3.12Å; Q436-M438 VanDerWaalsContact C-N 3.26Å; Q436-M438 PolarHBondContact O-N 2.98Å; M438-P440 WeakPolarHBondContact O-CD 3.49Å
439I92.7Very high77.2Confident31 Ų3199.7 Ų99.716%0.15953%0.53CS..SBendtrans-60.9122.7177-66.9168000109.2E395 K396 V399 Y435 Q436 Q441E395-I439 HydrophobicContact CB-CG1 3.65Å; K396-I439 HydrophobicContact CD-CG2 4.48Å; K396-I439 HydrophobicContact CG-CD1 3.81Å; K396-I439 HydrophobicContact CG-CG1 3.97Å; K396-I439 HydrophobicContact CG-CG2 4Å; V399-I439 HydrophobicContact CG2-CD1 4.15Å; Y435-I439 PolarHBondContact O-N 3.37Å; Q436-I439 PolarHBondContact O-N 3.39Å; I439-Q441 PolarHBondContact O-N 2.9Å
440P85.3Confident74.7Confident90 Ų90104.9 Ų104.958%0.58456%0.555SS**PPolyproline II helixtrans-57.8129.1178.1-24.133.2000110.9M438 S442M438-P440 WeakPolarHBondContact O-CD 3.49Å; P440-S442 PolarHBondContact O-N 3.48Å; P440-S442 VanDerWaalsContact O-N 3.12Å
441Q75.1Confident72Confident189 Ų189101.2 Ų101.288%0.88354%0.544SS*.PPolyproline II helixtrans-65.6116.5172.3-65.6-150.2-1.800109I439I439-Q441 PolarHBondContact O-N 2.9Å
442S62Low69Low89 Ų89107 Ų10762%0.62258%0.579SS**PPolyproline II helixtrans-55.1137168.3-60.70000108.5P440 S444P440-S442 PolarHBondContact O-N 3.48Å; P440-S442 VanDerWaalsContact O-N 3.12Å; S442-S444 PolarHBondContact O-N 3.38Å; S442-S444 VanDerWaalsContact O-N 3.16Å
443P53.2Low66.1Low124 Ų124113.5 Ų113.581%0.80561%0.612SS**PPolyproline II helixtrans-55.3128.3170.322.2-29.9000108.1
444S46.4Very low63Low103 Ų103112.9 Ų112.972%0.7263%0.625SS**PPolyproline II helixtrans-52139.9175.2-50.30000108.9S442S442-S444 PolarHBondContact O-N 3.38Å; S442-S444 VanDerWaalsContact O-N 3.16Å
445P51.1Low60.1Low108 Ų108118.7 Ų118.770%0.70166%0.655SS**PPolyproline II helixtrans-50.9137.8170.5-19.629.3000108.3F447P445-F447 PolarHBondContact O-N 2.94Å; P445-F447 VanDerWaalsContact O-N 3.1Å
446P49.8Very low57Low105 Ų105124 Ų12468%0.68269%0.694SS**PPolyproline II helixtrans-54.9126178.120.6-29.5000108.6Y448P446-Y448 PolarHBondContact O-N 3.42Å
447F43.6Very low54Low205 Ų205124.3 Ų124.390%0.89972%0.719SS**  trans-52106.9169.3-108.9-96.4000107.3P445 D449P445-F447 PolarHBondContact O-N 2.94Å; P445-F447 VanDerWaalsContact O-N 3.1Å; F447-D449 VanDerWaalsContact C-N 3.34Å; F447-D449 PolarHBondContact O-N 3.12Å
448Y45.3Very low50.7Low216 Ų216123.4 Ų123.485%0.84772%0.724SS**  trans-69.3101.2164.6-93.5-88.3000106.5P446 Q450P446-Y448 PolarHBondContact O-N 3.42Å; Y448-Q450 PolarHBondContact O-N 3.48Å; Y448-Q450 VanDerWaalsContact O-N 3.09Å
449D39.6Very low47.8Very low142 Ų142126.4 Ų126.476%0.75975%0.747SS**  trans-59.9109.3167.4-169.415.1000107.7F447 G451F447-D449 VanDerWaalsContact C-N 3.34Å; F447-D449 PolarHBondContact O-N 3.12Å; D449-G451 PolarHBondContact O-N 2.87Å
450Q46.9Very low44.7Very low201 Ų201128.7 Ų128.794%0.93978%0.779SS**  trans-74.174.5169.4-103.9179.911.200108.2Y448Y448-Q450 PolarHBondContact O-N 3.48Å; Y448-Q450 VanDerWaalsContact O-N 3.09Å
451G40.2Very low42Very low36 Ų36128.2 Ų128.237%0.37179%0.79SS.*  trans-147.3102.5-179.500000111D449D449-G451 PolarHBondContact O-N 2.87Å
452T37.3Very low39.9Very low128 Ų128129 Ų12979%0.78579%0.794SS**  trans89.5108.2157.562.20000120.8
453H36.4Very low38.5Very low190 Ų190128.6 Ų128.688%0.8880%0.804SS**  trans74.8116.9141.1-67-59.1000121.8
454G33.5Very low37.4Very low72 Ų72125.9 Ų125.974%0.74280%0.798SS**  116.3115.9116.900000116.9
455H38.1Very low36.7Very low193 Ų193124.6 Ų124.689%0.89480%0.801SS**  trans-45.6131.8166-81.726000113.7
456S32.3Very low35.8Very low124 Ų124127.4 Ų127.487%0.86781%0.805SS**  -178.5136.6127.3270000110.8
457G32.6Very low35Very low88 Ų88132.1 Ų132.191%0.90781%0.814SS**  trans-77.7166.3-172.400000115.4
458G28.3Very low34.5Very low69 Ų69131.8 Ų131.871%0.71181%0.813SS**  trans16697.617100000113.5
459T33.8Very low33.5Very low151 Ų151128.9 Ų128.993%0.92681%0.807SS**  trans22.3124.6145.756.40000120.4
460G27.8Very low32.9Very low80 Ų80131.3 Ų131.383%0.82581%0.811SS**  trans160.9109.9152.300000116
461G28.8Very low31.9Very low80 Ų80127.6 Ų127.683%0.82580%0.798SS**  trans63.693.2146.900000119G463G461-G463 PolarHBondContact O-N 3.14Å; G461-G463 VanDerWaalsContact O-N 3.14Å
462Q30.6Very low31.2Very low206 Ų206132 Ų13296%0.96381%0.813SS**  trans-74.594.6155.6-81.617713.100108.9
463G33.3Very low30.8Very low80 Ų80131.9 Ų131.983%0.82581%0.812SS**  trans-93.581.9152.500000107.5G461 G465G461-G463 PolarHBondContact O-N 3.14Å; G461-G463 VanDerWaalsContact O-N 3.14Å; G463-G465 PolarHBondContact O-N 3.03Å
464G28.9Very low30.5Very low66 Ų66128.8 Ų128.868%0.6880%0.801SS**  trans-74.2118.8171.600000108.6E466G464-E466 PolarHBondContact O-N 3.17Å
465G31.4Very low30.3Very low77 Ų77134.7 Ų134.779%0.79481%0.809SS**  trans-61.7115.3168.800000108.9G463 K467G463-G465 PolarHBondContact O-N 3.03Å; G465-K467 PolarHBondContact O-N 2.91Å
466E32.8Very low30Very low167 Ų167133.4 Ų133.478%0.7880%0.803SS**  trans-65.9101.5169.6-71.4176.316800107.6G464 F468G464-E466 PolarHBondContact O-N 3.17Å; E466-F468 PolarHBondContact O-N 3.3Å; E466-F468 VanDerWaalsContact O-N 3.12Å
467K33.8Very low30Very low203 Ų203136.7 Ų136.788%0.88381%0.805SS**  trans-62108.9153.7-88.3-175.5173.3-176.60105.4G465 Q469G465-K467 PolarHBondContact O-N 2.91Å; K467-Q469 PolarHBondContact O-N 2.95Å
468F33.3Very low29.8Very low198 Ų198140.2 Ų140.287%0.86880%0.803SS**  trans-58.3107.3168.6-100.9-98.1000108.2E466E466-F468 PolarHBondContact O-N 3.3Å; E466-F468 VanDerWaalsContact O-N 3.12Å
469Q23.7Very low29.9Very low156 Ų156146 Ų14673%0.72981%0.814SS**  trans-88.3126.8167.2-177.6170.4-30.800106.6K467 D471K467-Q469 PolarHBondContact O-N 2.95Å; Q469-D471 PolarHBondContact O-N 2.88Å
470F27.6Very low29.6Very low192 Ų192147 Ų14784%0.84281%0.814SS**  trans-73.994.3174.7-136.6-92.1000107.1L472F470-L472 HydrophobicContact CD1-CD1 4.13Å; F470-L472 HydrophobicContact CE1-CD1 4.29Å; F470-L472 PolarHBondContact O-N 3.16Å
471D24.3Very low29.7Very low124 Ų124146.3 Ų146.366%0.66381%0.807SS**  trans-85103.7165.5-87.4-22.6000107.5Q469 T473Q469-D471 PolarHBondContact O-N 2.88Å; D471-T473 PolarHBondContact O-N 3.28Å; D471-T473 VanDerWaalsContact O-N 3.08Å
472L26.7Very low29.6Very low129 Ų129151 Ų15168%0.67581%0.809SS**  trans-64103.2158.4-120.893.8000106.1F470 L474F470-L472 HydrophobicContact CD1-CD1 4.13Å; F470-L472 HydrophobicContact CE1-CD1 4.29Å; F470-L472 PolarHBondContact O-N 3.16Å; L472-L474 PolarHBondContact O-N 3.1Å
473T27.9Very low29.6Very low125 Ų125149.8 Ų149.877%0.76780%0.804SS**  trans-71.886.9166.251.70000107.7D471 E475D471-T473 PolarHBondContact O-N 3.28Å; D471-T473 VanDerWaalsContact O-N 3.08Å; T473-E475 PolarHBondContact O-N 3.02Å
474L31.3Very low29.3Very low125 Ų125154.9 Ų154.965%0.65480%0.803SS**  trans-66.8114.9155.9-71.4170000106.1L472 E476L472-L474 PolarHBondContact O-N 3.1Å; L474-E476 HydrophobicContact CB-CG 4.41Å; L474-E476 PolarHBondContact O-N 2.91Å
475E29.8Very low29.2Very low196 Ų196158.6 Ų158.692%0.91681%0.807SS**  trans-6986.6167.8-70.5-177.6162.100107.7T473T473-E475 PolarHBondContact O-N 3.02Å
476E31.2Very low29Very low165 Ų165160.3 Ų160.377%0.77181%0.806SS**  trans-85.8110.5166.5-69.8-173.5179.700108.5L474 D478L474-E476 HydrophobicContact CB-CG 4.41Å; L474-E476 PolarHBondContact O-N 2.91Å; E476-D478 PolarHBondContact O-N 3.09Å
477E31.2Very low28.7Very low193 Ų193160.2 Ų160.290%0.90281%0.811SS**  trans-70118.4168.2-73-175.3157.800109.8
478D30.1Very low28.4Very low162 Ų162154.2 Ų154.287%0.86681%0.807SS**  trans0.1112.8164-64.6-38.5000118.3E476E476-D478 PolarHBondContact O-N 3.09Å
479M29Very low28.2Very low191 Ų191153.2 Ų153.294%0.94181%0.805SS**  trans-138.388.3144.9-149.5165.47400111.5
480D28.6Very low28.5Very low171 Ų171152.2 Ų152.291%0.91480%0.804SS**  trans-63134.3167.4-110.4-19.8000111.4
481G28.4Very low28.6Very low66 Ų66151.9 Ų151.968%0.6881%0.805SS**  trans153.692.8151.200000118.4
482M28Very low28.8Very low178 Ų178155.4 Ų155.488%0.87782%0.818SS**  trans59.6129136.8-124.796.2179.100118.2
483E29.8Very low28.9Very low181 Ų181153 Ų15385%0.84682%0.824SS**  cis-159.3163.741.9-82.9-175.6157.600111.9
484K28Very low28.9Very low188 Ų188155.4 Ų155.482%0.81783%0.827SS**  trans-78.5170.5179.3-74.3177161.6-178.20114.6
485D27.1Very low28.7Very low144 Ų144157.5 Ų157.577%0.7783%0.833SS**  trans113.4131.4151.6-65.3-11.4000112
486C26.2Very low28.6Very low112 Ų112156.8 Ų156.876%0.75783%0.83SS**  cis-165.3167.411-105.90000109.3
487D26.8Very low28.4Very low165 Ų165157.8 Ų157.888%0.88283%0.834SS**  trans-49.2155.6177.8-59.6-53.6000117.1
488G27.8Very low28.3Very low78 Ų78155.8 Ų155.880%0.80483%0.828SS**  trans-175.894.9162.700000112.2
489E28.4Very low28.1Very low177 Ų177157.1 Ų157.183%0.82783%0.829SS**  trans-69.3165.8171.9-62.9173.4144.900112.5
490D29.3Very low28.1Very low134 Ų134154.8 Ų154.872%0.71783%0.825SS**  trans105.1110.8148.1-63.6-25000121
491E30.2Very low28.1Very low185 Ų185155 Ų15586%0.86482%0.821SS**  111.4125.8118.6-84.6-175.7179.300120.2
492E29.2Very low28.1Very low199 Ų199158.1 Ų158.193%0.9382%0.822SS**  trans-64.8153.5172.6-60.2172.8155.900112.3
493G28.1Very low28.1Very low77 Ų77154.2 Ų154.279%0.79481%0.812SS**  trans-167104.2169.600000112
494E28.8Very low28.1Very low177 Ų177153 Ų15383%0.82781%0.811SS**  trans-64.6152.4179.5-71.1171156.300115
495E27.3Very low28.1Very low168 Ų168148.1 Ų148.179%0.78581%0.805SS**  trans53.6126.6138.6-62.7179-171.900121.6
496E27.6Very low28.2Very low182 Ų182148.2 Ų148.285%0.8581%0.806SS**  178.5134.1104.1-95.8-174.1177.600112.6
497E27.5Very low28.2Very low186 Ų186147.1 Ų147.187%0.86980%0.799SS**  trans-68.9141.9166.9-62.8175.4151.300111.7
498I27.7Very low28.3Very low151 Ų151150.5 Ų150.577%0.77480%0.8SS**  trans-142.4109.7149.6-60-176000109.7V500I498-V500 HydrophobicContact CG2-CG2 4.08Å
499E25.9Very low28.2Very low190 Ų190151.9 Ų151.989%0.88880%0.797SS**  trans-70.1137.7156.2-67.8-178.5146.500110.4
500V29.9Very low29.1Very low141 Ų141148.9 Ų148.986%0.85579%0.793SS**  trans-143.7127.1144.4-165.50000110.5I498I498-V500 HydrophobicContact CG2-CG2 4.08Å
501E27.8Very low29.8Very low176 Ų176147.6 Ų147.682%0.82279%0.792SS**  trans-74.5153.4-179.7-126.8179.9-175.900114.3
502D29.4Very low30.5Very low131 Ų131143.4 Ų143.470%0.70178%0.781SS**  trans82.1118.1133.9-139.916.7000121.3
503S28.2Very low30.6Very low96 Ų96140.3 Ų140.367%0.67177%0.77SS**  159122.4100.254.70000115.6
504L29.1Very low30.7Very low156 Ų156146.3 Ų146.382%0.81777%0.77SS**  trans70.1115.7130.5-64.4168.3000123.5
505A28.1Very low30.7Very low85 Ų85144.4 Ų144.470%0.70277%0.765SS**  68.1137.7128.700000117.5
506N28.3Very low30.8Very low146 Ų146142.5 Ų142.578%0.78176%0.761SS**  cis-177.3135.745.9-142.8-4.4000110.5
507S26.8Very low30.9Very low89 Ų89139.6 Ų139.662%0.62276%0.76SS**  trans65.2136.5130.577.60000123.5
508R28.1Very low30.9Very low237 Ų237139 Ų13989%0.89476%0.757SS**  trans99.496.9145.9-71.9178.5173.3-177.6-2.2119.2
509S25.8Very low31Very low107 Ų107136.1 Ų136.175%0.74876%0.757SS**  trans-75.8-179.7136-14.30000110.2
510P47.3Very low31.2Very low114 Ų114136.5 Ų136.574%0.7476%0.758SS**  cis-135.3-136.6-21.538.6-16.5000108.4
511P44Very low31.3Very low107 Ų107139 Ų13970%0.69576%0.76SS**  cis-130.7-141.5-3535.7-13.3000109.9
512P46.6Very low31.5Very low97 Ų97140.3 Ų140.363%0.6377%0.767SS**  -129.5-177.8-54.127.8-7.1000114.3
513D29.6Very low31.5Very low133 Ų133141.9 Ų141.971%0.71178%0.775SS**  trans62.5126.8146.8-64.5-22000121.2
514Y30.3Very low31.6Very low203 Ų203140.3 Ų140.380%0.79678%0.775SS**  174.2125.3101.8-108-96.3000112.2
515L28.9Very low31.6Very low138 Ų138141.9 Ų141.972%0.72378%0.78SS**  trans16.3127.5141.6-73151.6000121.6
516D29.3Very low31.8Very low128 Ų128145.2 Ų145.268%0.68478%0.784SS**  59.9117.1117-155.421.4000119.5
517S29.6Very low32.1Very low120 Ų120146.8 Ų146.884%0.83979%0.787SS**  trans-167.1142136.313.30000112.6
518Q27.8Very low32.8Very low173 Ų173147.5 Ų147.581%0.80879%0.79SS**  trans-77.3157.9-175.5-64.8166.9-13.100113.3
519A30.4Very low33Very low92 Ų92145.4 Ų145.476%0.7679%0.792SS**  trans57.4126.813900000119.7
520E30.2Very low33.4Very low198 Ų198147 Ų14793%0.92580%0.798SS**  -161135.9118.6-105.1170.2-16200110.7
521E31.9Very low32.7Very low192 Ų192146.5 Ų146.590%0.89780%0.803SS**  trans-73.5146.4173.7-63.8172.2148.500110.1
522E32Very low32.2Very low204 Ų204149 Ų14995%0.95381%0.808SS**  trans-145.3129.4144.4-121.6-179.2-171.300111.6
523D30.3Very low31.4Very low164 Ų164153.1 Ų153.188%0.87782%0.819SS**  trans-76.9154.6-174.7-176.122.4000111.8
524G28.3Very low31.5Very low64 Ų64153.8 Ų153.866%0.6682%0.822SS**  trans167.672.2173.500000119.5
525M29.3Very low31.7Very low188 Ų188149.8 Ų149.893%0.92682%0.818SS**  trans69.4114.4136.2-70.9-80.1-169.500121.9
526I33.1Very low32Very low155 Ų155148.8 Ų148.880%0.79582%0.818SS**  trans-64.8146.7167.8-64.9154.4000114
527E33.9Very low32.3Very low179 Ų179151.4 Ų151.484%0.83683%0.826SS**  179.7160.1126.8-107.6-158.6-165.400113
528P42.8Very low32.5Very low105 Ų105154.7 Ų154.768%0.68283%0.828SS**  -130175.3-75.933.3-12.2000115.1
529M31.1Very low33Very low193 Ų193151.2 Ų151.295%0.95183%0.829SS**PPolyproline II helixtrans-53.6143.8177.8-70.9174.6163.100116.1
530T35.3Very low33.1Very low141 Ų141152.4 Ų152.487%0.86583%0.831SS**PPolyproline II helixtrans-97.2128.9158.737.40000111
531A33.2Very low33.9Very low102 Ų102147.9 Ų147.984%0.84382%0.819SS**PPolyproline II helixtrans-76.1143.9-179.300000112.1
532I33.1Very low34.5Very low159 Ų159144.6 Ų144.682%0.81581%0.812SS**PPolyproline II helixtrans-98119.4171.1-65.7173000107.9
533E29.6Very low34.7Very low184 Ų184142 Ų14286%0.8681%0.805SS**PPolyproline II helixtrans-75.3126.7172.3-80.8-177.2148.600110.8
534I31.7Very low35.1Very low148 Ų148144.3 Ų144.376%0.75983%0.825SS**  trans-94.6109.4171.6-63.2172.1000107.5T536I534-T536 HydrophobicContact CG2-CG2 4.39Å; I534-T536 PolarHBondContact O-N 2.87Å
535V34.6Very low35.4Very low118 Ų118148.4 Ų148.472%0.71583%0.834SS**  trans-79.3115.5170.2178.70000108.5
536T33.9Very low35.8Very low117 Ų117146.3 Ų146.372%0.71883%0.829SS**  trans-92.1120.9172.844.30000108.7I534I534-T536 HydrophobicContact CG2-CG2 4.39Å; I534-T536 PolarHBondContact O-N 2.87Å
537H37.2Very low35.9Very low184 Ų184145.8 Ų145.885%0.85283%0.831SS**  trans-93.1115166.1-93.7-73.6000109.2
538E33.8Very low36Very low189 Ų189143.8 Ų143.888%0.88383%0.83SS**  trans-65.6139.9173.2-72.3-175.9145.700111.7
539A37.6Very low35.6Very low100 Ų100146.3 Ų146.383%0.82684%0.839SS**  trans-79.1144168.600000111.3
540S32.2Very low35.9Very low117 Ų117143.1 Ų143.182%0.81883%0.832SS**  trans-156.9163161.9-125.80000110.7
541P46.3Very low35.9Very low103 Ų103143.3 Ų143.367%0.66983%0.83SS**  -120.3162.9-10926.8-5.8000113.7
542T45Very low36.2Very low122 Ų122146.5 Ų146.575%0.74883%0.829SS**  trans32.9124.9152.554.20000119.8
543D35.6Very low36.4Very low151 Ų151145.4 Ų145.481%0.80783%0.83SS**  -169.5140.2110-104.8-23.3000114.4
544T39.6Very low37Very low212 Ų212141.9 Ų141.9100%1.30183%0.827SS**  trans67.80165.854.10000121.5

Retrieved 544 of 544 residues in 320.9 ms (Link to these results)

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