A0A3Q0KM33_SCHMA Loading...

NOC3-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KM33, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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
1M36.3Very low60Low242 Ų242114.2 Ų114.2100%1.19270%0.696SS**  079.20-63.7-170.3-174.600108.9A3M1-A3 PolarHBondContact O-N 2.99Å
2T46.5Very low61.5Low146 Ų146113.2 Ų113.290%0.89668%0.678SS**  trans-76.789.5163.738.80000105.6G4T2-G4 PolarHBondContact O-N 2.96Å
3A46.3Very low62.9Low89 Ų89113.5 Ų113.574%0.73667%0.673SS**  trans-47.4108.6166.900000106M1 S5M1-A3 PolarHBondContact O-N 2.99Å; A3-S5 VanDerWaalsContact C-N 3.27Å; A3-S5 PolarHBondContact O-N 2.74Å
4G50.1Low64.3Low68 Ų68112.7 Ų112.770%0.70166%0.663SS**  trans-56.2100.8178.100000106.1T2 K6T2-G4 PolarHBondContact O-N 2.96Å; G4-K6 VanDerWaalsContact C-N 3.26Å; G4-K6 PolarHBondContact O-N 2.7Å
5S54.8Low65.6Low101 Ų101109.1 Ų109.171%0.70665%0.646SS**  trans-58.5102175.843.30000104A3 L7A3-S5 VanDerWaalsContact C-N 3.27Å; A3-S5 PolarHBondContact O-N 2.74Å; S5-L7 PolarHBondContact O-N 3.4Å
6K54.3Low66.8Low201 Ų201105.6 Ų105.687%0.87463%0.627SS**  trans-60.594.6173.8-75.6-179176.9178.50104.4G4 S8G4-K6 VanDerWaalsContact C-N 3.26Å; G4-K6 PolarHBondContact O-N 2.7Å; K6-S8 PolarHBondContact O-N 2.83Å
7L57.9Low68Low86 Ų86110.2 Ų110.245%0.4563%0.631SS.*  trans-46.7129.8174.2-75.6166.2000106.2S5 Q11 Q12S5-L7 PolarHBondContact O-N 3.4Å; L7-Q11 HydrophobicContact CB-CB 4.17Å; L7-Q11 HydrophobicContact CD2-CB 4.17Å; L7-Q11 VanDerWaalsContact CD2-OE1 3.31Å; L7-Q12 HydrophobicContact CB-CG 3.74Å; L7-Q12 PolarHBondContact O-NE2 3.28Å
8S77.6Confident69.2Low67 Ų67107.6 Ų107.647%0.46962%0.62SS.*  trans-50.5146.8177.3169.60000109.2K6 V10 Q11 Q12K6-S8 PolarHBondContact O-N 2.83Å; S8-V10 PolarHBondContact O-N 3.44Å; S8-Q11 WeakPolarHBondContact O-CA 3.33Å; S8-Q11 WeakPolarHBondContact O-CB 3.04Å; S8-Q11 PolarHBondContact O-N 3.46Å; S8-Q12 PolarHBondContact O-N 2.72Å
9G77.9Confident70.2Confident54 Ų54104.8 Ų104.856%0.55761%0.605SS**Hα-helixtrans-51.7-31.2179.200000112.8L13G9-L13 WeakPolarHBondContact O-CB 3.41Å; G9-L13 PolarHBondContact O-N 2.71Å; G9-L13 VanDerWaalsContact O-N 3.1Å
10V78.4Confident71.1Confident98 Ų98100.7 Ų100.759%0.59458%0.58SS**Hα-helixtrans-66.9-44.6173.8-176.10000112.1S8 Q12 L13 L14S8-V10 PolarHBondContact O-N 3.44Å; V10-Q12 PolarHBondContact O-N 3.38Å; V10-L13 PolarHBondContact O-N 3.17Å; V10-L14 HydrophobicContact CG1-CD1 4.19Å; V10-L14 WeakPolarHBondContact O-CG 3.13Å; V10-L14 PolarHBondContact O-N 3.21Å
11Q80.1Confident72Confident104 Ų10499.2 Ų99.249%0.48658%0.576SS.*Hα-helixtrans-66.2-37.5178.7-71.8174.5-27.900111.8L7 S8 L13 L14 S15L7-Q11 HydrophobicContact CB-CB 4.17Å; L7-Q11 HydrophobicContact CD2-CB 4.17Å; L7-Q11 VanDerWaalsContact CD2-OE1 3.31Å; S8-Q11 WeakPolarHBondContact O-CA 3.33Å; S8-Q11 WeakPolarHBondContact O-CB 3.04Å; S8-Q11 PolarHBondContact O-N 3.46Å; Q11-L13 VanDerWaalsContact C-N 3.35Å; Q11-L14 PolarHBondContact O-N 3.49Å; Q11-S15 WeakPolarHBondContact O-CB 3.47Å; Q11-S15 PolarHBondContact O-N 3.3Å; Q11-S15 PolarHBondContact O-OG 3.45Å
12Q77.9Confident74.7Confident102 Ų10292.3 Ų92.348%0.47754%0.544SS..Hα-helixtrans-65.7-37.4174.3-65.6-175.5-1.700112.2L7 S8 V10 S15 T16L7-Q12 HydrophobicContact CB-CG 3.74Å; L7-Q12 PolarHBondContact O-NE2 3.28Å; S8-Q12 PolarHBondContact O-N 2.72Å; V10-Q12 PolarHBondContact O-N 3.38Å; Q12-S15 PolarHBondContact O-OG 3.3Å; Q12-T16 VanDerWaalsContact O-CB 3.31Å; Q12-T16 WeakPolarHBondContact O-CB 3.41Å; Q12-T16 PolarHBondContact O-N 3.03Å; Q12-T16 PolarHBondContact O-OG1 3.12Å
13L79.2Confident76.7Confident118 Ų11887 Ų8762%0.61851%0.509SS*.Hα-helixtrans-70.4-40.9177.3-169143.3000111.7G9 V10 Q11 T16 R17G9-L13 WeakPolarHBondContact O-CB 3.41Å; G9-L13 PolarHBondContact O-N 2.71Å; G9-L13 VanDerWaalsContact O-N 3.1Å; V10-L13 PolarHBondContact O-N 3.17Å; Q11-L13 VanDerWaalsContact C-N 3.35Å; L13-T16 PolarHBondContact O-N 3.01Å; L13-R17 WeakPolarHBondContact O-CB 3.36Å; L13-R17 PolarHBondContact O-N 3.41Å
14L83.5Confident78.9Confident102 Ų10286.5 Ų86.553%0.53449%0.491SS..Hα-helixtrans-65-44.8174.9-72.7174.3000112.2V10 Q11 T16 R17 S18V10-L14 HydrophobicContact CG1-CD1 4.19Å; V10-L14 WeakPolarHBondContact O-CG 3.13Å; V10-L14 PolarHBondContact O-N 3.21Å; Q11-L14 PolarHBondContact O-N 3.49Å; L14-T16 VanDerWaalsContact C-N 3.32Å; L14-T16 PolarHBondContact O-N 3.5Å; L14-R17 PolarHBondContact O-N 3.27Å; L14-S18 PolarHBondContact O-N 2.94Å
15S83.7Confident80.9Confident58 Ų5889.1 Ų89.141%0.40649%0.485SS..Hα-helixtrans-63.2-40.7176.866.70000111.4Q11 Q12 R17 S18 V19Q11-S15 WeakPolarHBondContact O-CB 3.47Å; Q11-S15 PolarHBondContact O-N 3.3Å; Q11-S15 PolarHBondContact O-OG 3.45Å; Q12-S15 PolarHBondContact O-OG 3.3Å; S15-R17 PolarHBondContact O-N 3.09Å; S15-S18 WeakPolarHBondContact O-CB 3.47Å; S15-S18 PolarHBondContact O-N 2.85Å; S15-V19 WeakPolarHBondContact O-CG2 3.32Å; S15-V19 PolarHBondContact O-N 2.9Å
16T83.9Confident82.7Confident54 Ų5486.7 Ų86.733%0.33147%0.468SS..Hα-helixtrans-61.4-43.8173.9-60.50000111.8Q12 L13 L14 V19 I20 F60Q12-T16 VanDerWaalsContact O-CB 3.31Å; Q12-T16 WeakPolarHBondContact O-CB 3.41Å; Q12-T16 PolarHBondContact O-N 3.03Å; Q12-T16 PolarHBondContact O-OG1 3.12Å; L13-T16 PolarHBondContact O-N 3.01Å; L14-T16 VanDerWaalsContact C-N 3.32Å; L14-T16 PolarHBondContact O-N 3.5Å; T16-V19 PolarHBondContact O-N 3.32Å; T16-I20 HydrophobicContact CG2-CD1 3.88Å; T16-I20 HydrophobicContact CG2-CG1 4.49Å; T16-I20 VanDerWaalsContact O-CG1 3.26Å; T16-I20 WeakPolarHBondContact O-CG1 3.47Å; T16-I20 PolarHBondContact O-N 2.9Å; T16-F60 HydrophobicContact CG2-CE1 3.59Å; T16-F60 HydrophobicContact CG2-CE2 4.44Å; T16-F60 HydrophobicContact CG2-CZ 3.43Å; T16-F60 VanDerWaalsContact CG2-CZ 3.43Å
17R87.8Confident84.5Confident184 Ų18477.3 Ų77.369%0.69443%0.427SS*.Hα-helixtrans-63.8-40.1177.2-174.3176.4178.8166.8-0.4112L13 L14 S15 I20 S21L13-R17 WeakPolarHBondContact O-CB 3.36Å; L13-R17 PolarHBondContact O-N 3.41Å; L14-R17 PolarHBondContact O-N 3.27Å; S15-R17 PolarHBondContact O-N 3.09Å; R17-I20 PolarHBondContact O-N 3.39Å; R17-S21 WeakPolarHBondContact O-CB 3.45Å; R17-S21 PolarHBondContact O-N 3.37Å
18S88.7Confident86.2Confident63 Ų6375.8 Ų75.844%0.44143%0.426SS..Hα-helixtrans-60.1-52.3174.2-167.60000110.6L14 S15 I20 S21 D22L14-S18 PolarHBondContact O-N 2.94Å; S15-S18 WeakPolarHBondContact O-CB 3.47Å; S15-S18 PolarHBondContact O-N 2.85Å; S18-I20 VanDerWaalsContact C-N 3.3Å; S18-I20 PolarHBondContact O-N 2.97Å; S18-S21 CarbonylContact O-C 3.47Å; S18-S21 WeakPolarHBondContact O-CA 3.41Å; S18-S21 VanDerWaalsContact O-CB 3.31Å; S18-S21 WeakPolarHBondContact O-CB 3.33Å; S18-S21 PolarHBondContact O-N 2.87Å; S18-D22 PolarHBondContact O-N 3.09Å
19V88Confident86.9Confident55 Ų5576 Ų7633%0.33342%0.422SS..Hα-helixtrans-58.4-42.6179.4172.20000111.6S15 T16 S21 D22 I23S15-V19 WeakPolarHBondContact O-CG2 3.32Å; S15-V19 PolarHBondContact O-N 2.9Å; T16-V19 PolarHBondContact O-N 3.32Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-D22 PolarHBondContact O-N 2.71Å; V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CD1 3.35Å; V19-I23 VanDerWaalsContact O-CG1 3.25Å; V19-I23 WeakPolarHBondContact O-CG1 3.21Å; V19-I23 PolarHBondContact O-N 3.35Å
20I88.8Confident87.7Confident22 Ų2275.9 Ų75.911%0.11341%0.406CS..Hα-helixtrans-61.5-45.4174.9-68.9167000110.2T16 R17 S18 D22 I23 K24 F60 I63T16-I20 HydrophobicContact CG2-CD1 3.88Å; T16-I20 HydrophobicContact CG2-CG1 4.49Å; T16-I20 VanDerWaalsContact O-CG1 3.26Å; T16-I20 WeakPolarHBondContact O-CG1 3.47Å; T16-I20 PolarHBondContact O-N 2.9Å; R17-I20 PolarHBondContact O-N 3.39Å; S18-I20 VanDerWaalsContact C-N 3.3Å; S18-I20 PolarHBondContact O-N 2.97Å; I20-D22 PolarHBondContact O-N 3.09Å; I20-I23 PolarHBondContact O-N 3.47Å; I20-K24 HydrophobicContact CG2-CD 4.06Å; I20-K24 HydrophobicContact CG2-CG 4.34Å; I20-K24 WeakPolarHBondContact O-CG 3.4Å; I20-K24 PolarHBondContact O-N 3.39Å; I20-F60 HydrophobicContact CD1-CD1 3.91Å; I20-F60 HydrophobicContact CD1-CD2 4.45Å; I20-F60 HydrophobicContact CD1-CE1 4.03Å; I20-F60 HydrophobicContact CD1-CG 4.14Å; I20-F60 HydrophobicContact CD1-CZ 4.35Å; I20-F60 HydrophobicContact CG1-CD1 4.5Å; I20-F60 HydrophobicContact CG1-CD2 4.16Å; I20-F60 HydrophobicContact CG1-CE2 4.28Å; I20-F60 HydrophobicContact CG1-CG 4.28Å; I20-I63 HydrophobicContact CG1-CD1 4.35Å
21S90.6Very high88.4Confident69 Ų6971.9 Ų71.948%0.48338%0.382SS..Hα-helixtrans-61.1-42.8178.4-165.70000112.3R17 S18 V19 I23 K24 H25R17-S21 WeakPolarHBondContact O-CB 3.45Å; R17-S21 PolarHBondContact O-N 3.37Å; S18-S21 CarbonylContact O-C 3.47Å; S18-S21 WeakPolarHBondContact O-CA 3.41Å; S18-S21 VanDerWaalsContact O-CB 3.31Å; S18-S21 WeakPolarHBondContact O-CB 3.33Å; S18-S21 PolarHBondContact O-N 2.87Å; V19-S21 VanDerWaalsContact C-N 3.34Å; S21-I23 PolarHBondContact O-N 2.91Å; S21-K24 WeakPolarHBondContact O-CB 3.21Å; S21-K24 PolarHBondContact O-N 3.4Å; S21-H25 WeakPolarHBondContact O-CB 3.1Å; S21-H25 PolarHBondContact O-N 3.2Å
22D91.7Very high89Confident97 Ų9771.7 Ų71.752%0.51938%0.381SS..Hα-helixtrans-65-40.7179.3-60.8-29.1000111.2S18 V19 I20 H25 S26S18-D22 PolarHBondContact O-N 3.09Å; V19-D22 PolarHBondContact O-N 2.71Å; I20-D22 PolarHBondContact O-N 3.09Å; D22-H25 PolarHBondContact O-N 3.27Å; D22-S26 VanDerWaalsContact O-CB 3.29Å; D22-S26 WeakPolarHBondContact O-CB 3.43Å; D22-S26 PolarHBondContact O-N 2.81Å
23I89.8Confident89.7Confident35 Ų3569.5 Ų69.518%0.17937%0.372CS..Hα-helixtrans-64.8-44.2174.3-66.8166.2000110.6V19 I20 S21 H25 S26 I27 H56 I63V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CD1 3.35Å; V19-I23 VanDerWaalsContact O-CG1 3.25Å; V19-I23 WeakPolarHBondContact O-CG1 3.21Å; V19-I23 PolarHBondContact O-N 3.35Å; I20-I23 PolarHBondContact O-N 3.47Å; S21-I23 PolarHBondContact O-N 2.91Å; I23-H25 VanDerWaalsContact C-N 3.33Å; I23-H25 PolarHBondContact O-N 3.3Å; I23-S26 PolarHBondContact O-N 3.3Å; I23-I27 HydrophobicContact CG2-CD1 3.72Å; I23-I27 HydrophobicContact CG2-CG1 4.4Å; I23-I27 WeakPolarHBondContact O-CD1 3.49Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.48Å; I23-I27 PolarHBondContact O-N 3.17Å; I23-H56 HydrophobicContact CD1-CB 3.78Å; I23-I63 HydrophobicContact CB-CD1 4.44Å; I23-I63 HydrophobicContact CD1-CD1 3.81Å; I23-I63 HydrophobicContact CG2-CD1 4.15Å; I23-I63 HydrophobicContact CG2-CG2 4.19Å
24K91.5Very high90.4Very high79 Ų7964 Ų6434%0.34334%0.344SS..Hα-helixtrans-57.8-47.4176.7-72.3-178.2174.6176.90111.1I20 S21 I27 A28 L66I20-K24 HydrophobicContact CG2-CD 4.06Å; I20-K24 HydrophobicContact CG2-CG 4.34Å; I20-K24 WeakPolarHBondContact O-CG 3.4Å; I20-K24 PolarHBondContact O-N 3.39Å; S21-K24 WeakPolarHBondContact O-CB 3.21Å; S21-K24 PolarHBondContact O-N 3.4Å; K24-I27 PolarHBondContact O-N 3.35Å; K24-A28 PolarHBondContact O-N 3.29Å; K24-L66 HydrophobicContact CB-CD2 4.09Å; K24-L66 HydrophobicContact CD-CD2 4.38Å; K24-L66 HydrophobicContact CG-CD2 3.56Å
25H92.6Very high90.8Very high123 Ų12362.5 Ų62.557%0.56934%0.336SS*.Hα-helixtrans-66-41.9178.9-168.261.5000111.9S21 D22 I23 I27 A28 I29S21-H25 WeakPolarHBondContact O-CB 3.1Å; S21-H25 PolarHBondContact O-N 3.2Å; D22-H25 PolarHBondContact O-N 3.27Å; I23-H25 VanDerWaalsContact C-N 3.33Å; I23-H25 PolarHBondContact O-N 3.3Å; H25-I27 PolarHBondContact O-N 3.42Å; H25-A28 PolarHBondContact O-N 2.7Å; H25-I29 WeakPolarHBondContact NE2-CD1 3.24Å; H25-I29 WeakPolarHBondContact O-CG1 3.46Å; H25-I29 PolarHBondContact O-N 3.38Å
26S92.8Very high91.2Very high50 Ų5066 Ų6635%0.3534%0.344SS..Hα-helixtrans-60.6-42.7175.7-172.60000112.3D22 I23 K30D22-S26 VanDerWaalsContact O-CB 3.29Å; D22-S26 WeakPolarHBondContact O-CB 3.43Å; D22-S26 PolarHBondContact O-N 2.81Å; I23-S26 PolarHBondContact O-N 3.3Å; S26-K30 WeakPolarHBondContact O-CB 3.4Å; S26-K30 VanDerWaalsContact O-CG 3.27Å; S26-K30 WeakPolarHBondContact O-CG 3.03Å; S26-K30 PolarHBondContact O-N 3.16Å; S26-K30 VanDerWaalsContact O-N 3.1Å
27I92.1Very high91.5Very high4 Ų465.7 Ų65.72%0.02134%0.344CS..Hα-helixtrans-63.5-45.8175.7-67.7160.9000110I23 K24 H25 I29 K30 C31 L66 V67I23-I27 HydrophobicContact CG2-CD1 3.72Å; I23-I27 HydrophobicContact CG2-CG1 4.4Å; I23-I27 WeakPolarHBondContact O-CD1 3.49Å; I23-I27 VanDerWaalsContact O-CG1 3.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.48Å; I23-I27 PolarHBondContact O-N 3.17Å; K24-I27 PolarHBondContact O-N 3.35Å; H25-I27 PolarHBondContact O-N 3.42Å; I27-I29 PolarHBondContact O-N 3.49Å; I27-K30 PolarHBondContact O-N 3.45Å; I27-C31 WeakPolarHBondContact O-CB 3.48Å; I27-C31 PolarHBondContact O-N 2.88Å; I27-C31 PolarHBondContact O-SG 3.1Å; I27-C31 VanDerWaalsContact O-SG 3.33Å; I27-L66 HydrophobicContact CD1-CD2 4.28Å; I27-V67 HydrophobicContact CD1-CG2 3.53Å
28A92.5Very high91.5Very high53 Ų5359 Ų5944%0.43832%0.324SS..Hα-helixtrans-58.6-49.3179.800000112.3K24 H25 K30 C31 E32K24-A28 PolarHBondContact O-N 3.29Å; H25-A28 PolarHBondContact O-N 2.7Å; A28-K30 VanDerWaalsContact C-N 3.32Å; A28-K30 PolarHBondContact O-N 2.74Å; A28-C31 PolarHBondContact O-N 3.12Å; A28-E32 PolarHBondContact O-N 3.02Å
29I94.1Very high91.4Very high72 Ų7262.3 Ų62.337%0.36933%0.333SS..Hα-helixtrans-59.1-44.3177.3-67.2164.4000110.8H25 I27 E32 N33H25-I29 WeakPolarHBondContact NE2-CD1 3.24Å; H25-I29 WeakPolarHBondContact O-CG1 3.46Å; H25-I29 PolarHBondContact O-N 3.38Å; I27-I29 PolarHBondContact O-N 3.49Å; I29-E32 PolarHBondContact O-N 3.23Å; I29-N33 WeakPolarHBondContact O-CB 3.39Å; I29-N33 PolarHBondContact O-N 2.88Å; I29-N33 PolarHBondContact O-ND2 3Å
30K93.1Very high91.4Very high52 Ų5266.6 Ų66.623%0.22635%0.349CS..Hα-helixtrans-64.2-43.9179.1-72.3176.2-170.5-1750111.6S26 I27 A28 N33 I34 I48S26-K30 WeakPolarHBondContact O-CB 3.4Å; S26-K30 VanDerWaalsContact O-CG 3.27Å; S26-K30 WeakPolarHBondContact O-CG 3.03Å; S26-K30 PolarHBondContact O-N 3.16Å; S26-K30 VanDerWaalsContact O-N 3.1Å; I27-K30 PolarHBondContact O-N 3.45Å; A28-K30 VanDerWaalsContact C-N 3.32Å; A28-K30 PolarHBondContact O-N 2.74Å; K30-N33 PolarHBondContact O-N 3.48Å; K30-I34 VanDerWaalsContact O-CD1 3.25Å; K30-I34 WeakPolarHBondContact O-CD1 3.48Å; K30-I34 WeakPolarHBondContact O-CG1 3.49Å; K30-I34 PolarHBondContact O-N 3.11Å; K30-I48 HydrophobicContact CB-CD1 3.81Å; K30-I48 HydrophobicContact CB-CG1 3.96Å; K30-I48 HydrophobicContact CD-CG1 4.04Å
31C93.5Very high91.4Very high13 Ų1367 Ų679%0.08835%0.351CS..Hα-helixtrans-59.7-46.7175.7-73.50000111.4I27 A28 N33 I34 L35 V74I27-C31 WeakPolarHBondContact O-CB 3.48Å; I27-C31 PolarHBondContact O-N 2.88Å; I27-C31 PolarHBondContact O-SG 3.1Å; I27-C31 VanDerWaalsContact O-SG 3.33Å; A28-C31 PolarHBondContact O-N 3.12Å; C31-N33 PolarHBondContact O-N 2.93Å; C31-I34 PolarHBondContact O-N 3.47Å; C31-L35 WeakPolarHBondContact O-CG 3.46Å; C31-L35 PolarHBondContact O-N 3.36Å; C31-V74 HydrophobicContact CB-CG2 3.89Å
32E93Very high91.3Very high100 Ų10065 Ų6547%0.46734%0.335SS..Hα-helixtrans-61.2-43.4178.6-169.6-175.3161.600112A28 I29 I34 L35 K36A28-E32 PolarHBondContact O-N 3.02Å; I29-E32 PolarHBondContact O-N 3.23Å; E32-I34 PolarHBondContact O-N 2.86Å; E32-L35 PolarHBondContact O-N 2.81Å; E32-K36 HydrophobicContact CG-CD 4.44Å; E32-K36 WeakPolarHBondContact O-CG 3.38Å; E32-K36 PolarHBondContact O-N 3.08Å; E32-K36 WeakPolarHBondContact OE1-CE 3.35Å; E32-K36 IonicContact OE1-NZ 2.72Å; E32-K36 PolarHBondContact OE1-NZ 3.42Å
33N93.5Very high91.2Very high56 Ų5664.3 Ų64.330%0.29933%0.329SS..Hα-helixtrans-64.2-39.7177.2-69.5-15.9000112.4I29 K30 C31 K36 S37 N41I29-N33 WeakPolarHBondContact O-CB 3.39Å; I29-N33 PolarHBondContact O-N 2.88Å; I29-N33 PolarHBondContact O-ND2 3Å; K30-N33 PolarHBondContact O-N 3.48Å; C31-N33 PolarHBondContact O-N 2.93Å; N33-K36 PolarHBondContact O-N 2.92Å; N33-S37 PolarHBondContact O-N 3.48Å; N33-S37 VanDerWaalsContact O-N 3.07Å; N33-N41 PolarHBondContact O-ND2 2.96Å
34I93.2Very high91.2Very high2 Ų263.1 Ų63.11%0.0132%0.323CS..Hα-helixtrans-64.7-43.3176.4-64.5157.2000110.7K30 C31 E32 K36 S37 P38 N41 L45 I48 V74 V78K30-I34 VanDerWaalsContact O-CD1 3.25Å; K30-I34 WeakPolarHBondContact O-CD1 3.48Å; K30-I34 WeakPolarHBondContact O-CG1 3.49Å; K30-I34 PolarHBondContact O-N 3.11Å; C31-I34 PolarHBondContact O-N 3.47Å; E32-I34 PolarHBondContact O-N 2.86Å; I34-K36 VanDerWaalsContact C-N 3.33Å; I34-K36 PolarHBondContact O-N 3.42Å; I34-S37 CarbonylContact O-C 3.55Å; I34-P38 VanDerWaalsContact O-CA 3.28Å; I34-P38 WeakPolarHBondContact O-CA 3.36Å; I34-P38 WeakPolarHBondContact O-CD 3.47Å; I34-P38 VanDerWaalsContact O-N 3.13Å; I34-N41 HydrophobicContact CG1-CB 4.19Å; I34-L45 HydrophobicContact CD1-CB 3.83Å; I34-L45 HydrophobicContact CD1-CD1 4.29Å; I34-L45 HydrophobicContact CG1-CB 4.39Å; I34-I48 HydrophobicContact CD1-CD1 3.6Å; I34-V74 HydrophobicContact CB-CG1 4.38Å; I34-V74 HydrophobicContact CG2-CG1 3.61Å; I34-V78 HydrophobicContact CG2-CG2 4.02Å
35L91.9Very high91.2Very high71 Ų7159.4 Ų59.437%0.37231%0.307SS..Hα-helixtrans-66.6-33.6179-69.8174.4000112.4C31 E32 D77 V78C31-L35 WeakPolarHBondContact O-CG 3.46Å; C31-L35 PolarHBondContact O-N 3.36Å; E32-L35 PolarHBondContact O-N 2.81Å; L35-D77 HydrophobicContact CD2-CB 3.72Å; L35-V78 HydrophobicContact CD2-CG2 4.35Å
36K91.8Very high91.1Very high133 Ų13358.9 Ų58.958%0.57830%0.3SS*.Hα-helixtrans-68.8-48.9175.1-74.5174.7-177.6169.40112.7E32 N33 I34E32-K36 HydrophobicContact CG-CD 4.44Å; E32-K36 WeakPolarHBondContact O-CG 3.38Å; E32-K36 PolarHBondContact O-N 3.08Å; E32-K36 WeakPolarHBondContact OE1-CE 3.35Å; E32-K36 IonicContact OE1-NZ 2.72Å; E32-K36 PolarHBondContact OE1-NZ 3.42Å; N33-K36 PolarHBondContact O-N 2.92Å; I34-K36 VanDerWaalsContact C-N 3.33Å; I34-K36 PolarHBondContact O-N 3.42Å
37S90.2Very high91Very high47 Ų4758.7 Ų58.733%0.32930%0.295SS..  trans-144.189.5-176.6-61.20000110.7N33 I34 E39 N41N33-S37 PolarHBondContact O-N 3.48Å; N33-S37 VanDerWaalsContact O-N 3.07Å; I34-S37 CarbonylContact O-C 3.55Å; S37-E39 PolarHBondContact O-N 3.47Å; S37-N41 WeakPolarHBondContact O-CB 3.36Å; S37-N41 PolarHBondContact O-N 2.85Å; S37-N41 VanDerWaalsContact O-N 3.14Å; S37-N41 PolarHBondContact O-ND2 3.34Å; S37-N41 VanDerWaalsContact O-ND2 3.13Å
38P88.9Confident91Very high44 Ų4458.5 Ų58.529%0.28629%0.294SS..THydrogen-bonded Turntrans-68.3-37-173.924.5-33.3000112.8I34 E40 N41 I42 V78 F106I34-P38 VanDerWaalsContact O-CA 3.28Å; I34-P38 WeakPolarHBondContact O-CA 3.36Å; I34-P38 WeakPolarHBondContact O-CD 3.47Å; I34-P38 VanDerWaalsContact O-N 3.13Å; P38-E40 PolarHBondContact O-N 3.42Å; P38-N41 PolarHBondContact O-N 2.86Å; P38-I42 PolarHBondContact O-N 2.86Å; P38-V78 HydrophobicContact CB-CG1 3.89Å; P38-V78 HydrophobicContact CB-CG2 4.25Å; P38-F106 HydrophobicContact CB-CE2 4.14Å; P38-F106 HydrophobicContact CB-CZ 4.03Å; P38-F106 WeakPolarHBondContact O-CE2 3.35Å
39E86.3Confident91Very high131 Ų13156.4 Ų56.461%0.61228%0.276SS*.THydrogen-bonded Turntrans-63.3-41.6-178.4-64-169.7173.700112.5S37 F106S37-E39 PolarHBondContact O-N 3.47Å; E39-F106 HydrophobicContact CG-CD2 4.47Å; E39-F106 HydrophobicContact CG-CG 4.46Å
40E86.7Confident90.8Very high146 Ų14657.7 Ų57.768%0.68228%0.278SS*.THydrogen-bonded Turntrans-79.5-34.8-178.8-60-175.6157.700111.8P38 H43P38-E40 PolarHBondContact O-N 3.42Å; E40-H43 PolarHBondContact O-CE1 3.39Å; E40-H43 PolarHBondContact O-ND1 3.39Å; E40-H43 VanDerWaalsContact O-ND1 3.07Å
41N89.2Confident90.5Very high30 Ų3056.4 Ų56.416%0.1628%0.275CS..  trans-98.317.5-172.4-64.9-55.3000114.4N33 I34 S37 P38 H43 S44 L45N33-N41 PolarHBondContact O-ND2 2.96Å; I34-N41 HydrophobicContact CG1-CB 4.19Å; S37-N41 WeakPolarHBondContact O-CB 3.36Å; S37-N41 PolarHBondContact O-N 2.85Å; S37-N41 VanDerWaalsContact O-N 3.14Å; S37-N41 PolarHBondContact O-ND2 3.34Å; S37-N41 VanDerWaalsContact O-ND2 3.13Å; P38-N41 PolarHBondContact O-N 2.86Å; N41-H43 PolarHBondContact O-N 3.47Å; N41-H43 VanDerWaalsContact O-N 3.1Å; N41-S44 WeakPolarHBondContact O-CA 3.4Å; N41-S44 VanDerWaalsContact O-CB 3.28Å; N41-S44 WeakPolarHBondContact O-CB 3.34Å; N41-S44 PolarHBondContact O-N 3.19Å; N41-L45 PolarHBondContact O-N 2.87Å
42I89.8Confident90.2Very high26 Ų2655.9 Ų55.913%0.13327%0.271CS..Hα-helixtrans-57.3-28.3176.7-169.359.6000113.3P38 S44 L45 R46 F106 H109 L110P38-I42 PolarHBondContact O-N 2.86Å; I42-S44 VanDerWaalsContact C-N 3.34Å; I42-L45 HydrophobicContact CD1-CB 4.37Å; I42-L45 HydrophobicContact CD1-CD2 3.89Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 3.26Å; I42-R46 PolarHBondContact O-N 2.93Å; I42-R46 VanDerWaalsContact O-N 3.08Å; I42-F106 HydrophobicContact CB-CD2 4.21Å; I42-F106 HydrophobicContact CB-CE2 4.47Å; I42-F106 HydrophobicContact CD1-CD2 4.21Å; I42-F106 HydrophobicContact CD1-CE2 4.07Å; I42-F106 HydrophobicContact CG1-CD2 4.25Å; I42-H109 HydrophobicContact CD1-CB 4.27Å; I42-H109 HydrophobicContact CG1-CB 3.78Å; I42-L110 HydrophobicContact CD1-CB 4.47Å
43H88.9Confident89.9Confident84 Ų8455.4 Ų55.439%0.38927%0.269SS..Hα-helixtrans-65.9-36.4174.166-84.5000112E40 N41 L45 R46 D47E40-H43 PolarHBondContact O-CE1 3.39Å; E40-H43 PolarHBondContact O-ND1 3.39Å; E40-H43 VanDerWaalsContact O-ND1 3.07Å; N41-H43 PolarHBondContact O-N 3.47Å; N41-H43 VanDerWaalsContact O-N 3.1Å; H43-L45 VanDerWaalsContact C-N 3.34Å; H43-R46 WeakPolarHBondContact O-CB 3.16Å; H43-R46 PolarHBondContact O-N 3.23Å; H43-D47 VanDerWaalsContact O-CG 3.26Å; H43-D47 PolarHBondContact O-N 3.48Å
44S90.3Very high89.6Confident10 Ų1054.5 Ų54.57%0.0727%0.267CS..Hα-helixtrans-65-39174.4-720000111N41 I42 D47 I48N41-S44 WeakPolarHBondContact O-CA 3.4Å; N41-S44 VanDerWaalsContact O-CB 3.28Å; N41-S44 WeakPolarHBondContact O-CB 3.34Å; N41-S44 PolarHBondContact O-N 3.19Å; I42-S44 VanDerWaalsContact C-N 3.34Å; S44-D47 PolarHBondContact O-N 3.12Å; S44-D47 VanDerWaalsContact O-N 3.15Å; S44-I48 WeakPolarHBondContact O-CG1 3.12Å; S44-I48 PolarHBondContact O-N 2.72Å
45L91.8Very high89.3Confident1 Ų160.4 Ų60.41%0.00530%0.295CS..Hα-helixtrans-61.9-45.7174.1-178.861.4000111.1I34 N41 I42 H43 D47 I48 I49 L71 V74 F75 L110 N113I34-L45 HydrophobicContact CD1-CB 3.83Å; I34-L45 HydrophobicContact CD1-CD1 4.29Å; I34-L45 HydrophobicContact CG1-CB 4.39Å; N41-L45 PolarHBondContact O-N 2.87Å; I42-L45 HydrophobicContact CD1-CB 4.37Å; I42-L45 HydrophobicContact CD1-CD2 3.89Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 3.26Å; H43-L45 VanDerWaalsContact C-N 3.34Å; L45-D47 PolarHBondContact O-N 2.7Å; L45-I48 PolarHBondContact O-N 2.9Å; L45-I49 WeakPolarHBondContact O-CG1 3.44Å; L45-I49 PolarHBondContact O-N 3.21Å; L45-L71 HydrophobicContact CD1-CD2 3.7Å; L45-V74 HydrophobicContact CD1-CG1 4.18Å; L45-F75 HydrophobicContact CD1-CE1 4.43Å; L45-F75 HydrophobicContact CD1-CZ 4.04Å; L45-F75 HydrophobicContact CD2-CE1 3.94Å; L45-F75 HydrophobicContact CD2-CZ 4.16Å; L45-L110 HydrophobicContact CD2-CD1 3.99Å; L45-N113 HydrophobicContact CD2-CB 3.95Å; L45-N113 HydrophobicContact CG-CB 4.13Å
46R89.8Confident89.1Confident112 Ų11260.5 Ų60.542%0.42329%0.293SS..Hα-helixtrans-58.2-38.8174.4-178.3-178.863.8-177.8-2.2111.4I42 H43 I49 K50I42-R46 PolarHBondContact O-N 2.93Å; I42-R46 VanDerWaalsContact O-N 3.08Å; H43-R46 WeakPolarHBondContact O-CB 3.16Å; H43-R46 PolarHBondContact O-N 3.23Å; R46-I49 PolarHBondContact O-N 3.1Å; R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 3.43Å
47D90.7Very high88.9Confident46 Ų4654.1 Ų54.125%0.24627%0.266CS..Hα-helixtrans-71.7-34.1178.8-68-18.2000112.9H43 S44 L45 K50 T51H43-D47 VanDerWaalsContact O-CG 3.26Å; H43-D47 PolarHBondContact O-N 3.48Å; S44-D47 PolarHBondContact O-N 3.12Å; S44-D47 VanDerWaalsContact O-N 3.15Å; L45-D47 PolarHBondContact O-N 2.7Å; D47-K50 PolarHBondContact O-N 2.91Å; D47-K50 IonicContact OD1-NZ 3.75Å; D47-K50 PolarHBondContact OD1-NZ 3.14Å; D47-T51 WeakPolarHBondContact O-CG2 3.4Å; D47-T51 PolarHBondContact O-N 3.44Å
48I92.2Very high88.7Confident0 Ų057 Ų570%027%0.269CS..Hα-helixtrans-62.8-45.6169-61.6169.2000109.7K30 I34 S44 L45 K50 T51 V67 L71K30-I48 HydrophobicContact CB-CD1 3.81Å; K30-I48 HydrophobicContact CB-CG1 3.96Å; K30-I48 HydrophobicContact CD-CG1 4.04Å; I34-I48 HydrophobicContact CD1-CD1 3.6Å; S44-I48 WeakPolarHBondContact O-CG1 3.12Å; S44-I48 PolarHBondContact O-N 2.72Å; L45-I48 PolarHBondContact O-N 2.9Å; I48-K50 VanDerWaalsContact C-N 3.28Å; I48-K50 PolarHBondContact O-N 2.6Å; I48-T51 VanDerWaalsContact O-CB 3.25Å; I48-T51 WeakPolarHBondContact O-CB 3.18Å; I48-T51 WeakPolarHBondContact O-CG2 3.26Å; I48-T51 PolarHBondContact O-N 3.29Å; I48-T51 PolarHBondContact O-OG1 2.83Å; I48-V67 HydrophobicContact CG2-CG1 4.01Å; I48-L71 HydrophobicContact CB-CD2 4.21Å; I48-L71 HydrophobicContact CG2-CD1 4.11Å; I48-L71 HydrophobicContact CG2-CD2 3.58Å; I48-L71 HydrophobicContact CG2-CG 3.78Å
49I91.7Very high88.6Confident9 Ų961 Ų615%0.04628%0.282CS..Hα-helixtrans-62.7-35.2177.5-64-69000111.8L45 R46 T51 F52 L71 N113 K116L45-I49 WeakPolarHBondContact O-CG1 3.44Å; L45-I49 PolarHBondContact O-N 3.21Å; R46-I49 PolarHBondContact O-N 3.1Å; I49-T51 PolarHBondContact O-N 2.87Å; I49-F52 HydrophobicContact CD1-CD2 4.49Å; I49-F52 HydrophobicContact CD1-CE2 3.62Å; I49-F52 HydrophobicContact CD1-CZ 4.1Å; I49-F52 HydrophobicContact CG2-CD2 4.03Å; I49-F52 HydrophobicContact CG2-CE2 4.13Å; I49-F52 WeakPolarHBondContact O-CB 3.35Å; I49-F52 WeakPolarHBondContact O-CD2 3.4Å; I49-F52 VanDerWaalsContact O-CG 3.25Å; I49-F52 WeakPolarHBondContact O-CG 3.33Å; I49-F52 PolarHBondContact O-N 2.75Å; I49-L71 HydrophobicContact CD1-CD1 3.7Å; I49-L71 HydrophobicContact CD1-CD2 4.09Å; I49-N113 HydrophobicContact CG1-CB 4.1Å; I49-K116 HydrophobicContact CG2-CB 3.98Å; I49-K116 HydrophobicContact CG2-CD 3.65Å; I49-K116 HydrophobicContact CG2-CG 4.49Å
50K89.8Confident88.8Confident98 Ų9857.3 Ų57.343%0.42626%0.264SS..Hα-helixtrans-63.2-22.7172.9-73.7173.9-170.1160.10112.9R46 D47 I48 F52 E53R46-K50 WeakPolarHBondContact O-CG 3.47Å; R46-K50 PolarHBondContact O-N 3.43Å; D47-K50 PolarHBondContact O-N 2.91Å; D47-K50 IonicContact OD1-NZ 3.75Å; D47-K50 PolarHBondContact OD1-NZ 3.14Å; I48-K50 VanDerWaalsContact C-N 3.28Å; I48-K50 PolarHBondContact O-N 2.6Å; K50-F52 PolarHBondContact O-N 3.15Å; K50-F52 VanDerWaalsContact O-N 3.16Å; K50-E53 WeakPolarHBondContact O-CB 3.42Å; K50-E53 PolarHBondContact O-N 3Å
51T88.3Confident88.9Confident25 Ų2556.3 Ų56.315%0.15325%0.254CS..G310 helixtrans-60.8-24.4176.169.40000112.4D47 I48 I49 E53 S54 F57D47-T51 WeakPolarHBondContact O-CG2 3.4Å; D47-T51 PolarHBondContact O-N 3.44Å; I48-T51 VanDerWaalsContact O-CB 3.25Å; I48-T51 WeakPolarHBondContact O-CB 3.18Å; I48-T51 WeakPolarHBondContact O-CG2 3.26Å; I48-T51 PolarHBondContact O-N 3.29Å; I48-T51 PolarHBondContact O-OG1 2.83Å; I49-T51 PolarHBondContact O-N 2.87Å; T51-E53 PolarHBondContact O-N 3.06Å; T51-S54 VanDerWaalsContact O-CB 3.28Å; T51-S54 WeakPolarHBondContact O-CB 3.39Å; T51-S54 PolarHBondContact O-N 3.27Å; T51-S54 PolarHBondContact O-OG 2.93Å; T51-F57 WeakPolarHBondContact O-CB 3.46Å
52F87.2Confident88.9Confident3 Ų360.7 Ų60.71%0.01327%0.274CS..G310 helixtrans-58.5-29.6172.3-59.2-28.5000113.2I49 K50 F57 V67 L71 Y117 L120 Y140I49-F52 HydrophobicContact CD1-CD2 4.49Å; I49-F52 HydrophobicContact CD1-CE2 3.62Å; I49-F52 HydrophobicContact CD1-CZ 4.1Å; I49-F52 HydrophobicContact CG2-CD2 4.03Å; I49-F52 HydrophobicContact CG2-CE2 4.13Å; I49-F52 WeakPolarHBondContact O-CB 3.35Å; I49-F52 WeakPolarHBondContact O-CD2 3.4Å; I49-F52 VanDerWaalsContact O-CG 3.25Å; I49-F52 WeakPolarHBondContact O-CG 3.33Å; I49-F52 PolarHBondContact O-N 2.75Å; K50-F52 PolarHBondContact O-N 3.15Å; K50-F52 VanDerWaalsContact O-N 3.16Å; F52-F57 HydrophobicContact CD1-CD2 4.12Å; F52-F57 HydrophobicContact CD1-CE1 4.42Å; F52-F57 AromaticContact CD1-CE2 3.59Å; F52-F57 HydrophobicContact CD1-CE2 3.59Å; F52-F57 AromaticContact CD1-CZ 3.77Å; F52-F57 HydrophobicContact CD1-CZ 3.77Å; F52-F57 HydrophobicContact CE1-CE2 4.03Å; F52-F57 HydrophobicContact CE1-CZ 4.3Å; F52-F57 WeakPolarHBondContact O-CD1 3.34Å; F52-V67 HydrophobicContact CD1-CG1 4.01Å; F52-V67 HydrophobicContact CE1-CB 4.39Å; F52-V67 HydrophobicContact CE1-CG1 3.39Å; F52-V67 HydrophobicContact CZ-CG1 4.23Å; F52-L71 HydrophobicContact CE1-CD1 3.86Å; F52-L71 HydrophobicContact CE2-CD1 4.14Å; F52-L71 HydrophobicContact CZ-CD1 3.26Å; F52-Y117 HydrophobicContact CZ-CD2 4.15Å; F52-L120 HydrophobicContact CD1-CD2 3.73Å; F52-L120 HydrophobicContact CD2-CD2 4.07Å; F52-L120 HydrophobicContact CE1-CD2 3.31Å; F52-L120 HydrophobicContact CE2-CD2 3.72Å; F52-L120 HydrophobicContact CG-CD2 4.07Å; F52-L120 HydrophobicContact CZ-CD2 3.31Å; F52-Y140 HydrophobicContact CB-CE1 4.36Å; F52-Y140 WeakPolarHBondContact CB-OH 3.48Å; F52-Y140 WeakPolarHBondContact O-CE1 3.4Å
53E86.7Confident88.9Confident89 Ų8959.6 Ų59.642%0.41627%0.268SS..G310 helixtrans-84.6-15179.4-59.2-176.8162.600112.3K50 T51 R136K50-E53 WeakPolarHBondContact O-CB 3.42Å; K50-E53 PolarHBondContact O-N 3Å; T51-E53 PolarHBondContact O-N 3.06Å; E53-R136 IonicContact OE1-CZ 3.81Å; E53-R136 IonicContact OE1-NE 2.68Å; E53-R136 PolarHBondContact OE1-NE 2.96Å; E53-R136 IonicContact OE1-NH2 2.78Å; E53-R136 PolarHBondContact OE1-NH2 2.93Å
54S87.4Confident89.1Confident38 Ų3856.1 Ų56.127%0.26625%0.251SS..SBendtrans-67.1148.7-176.775.60000112.8T51 H56 F57 R58T51-S54 VanDerWaalsContact O-CB 3.28Å; T51-S54 WeakPolarHBondContact O-CB 3.39Å; T51-S54 PolarHBondContact O-N 3.27Å; T51-S54 PolarHBondContact O-OG 2.93Å; S54-H56 PolarHBondContact O-N 3.35Å; S54-F57 PolarHBondContact O-N 2.96Å; S54-F57 WeakPolarHBondContact OG-CB 3.3Å; S54-F57 PolarHBondContact OG-N 2.74Å; S54-R58 PolarHBondContact O-N 3.44Å
55E86.1Confident89.1Confident125 Ų12557.3 Ų57.358%0.58426%0.262SS*.Hα-helixtrans-62.3-34.6173.5-67.6-161.3171.900112.4F57 R58 K59E55-F57 VanDerWaalsContact C-N 3.33Å; E55-F57 PolarHBondContact O-N 3.39Å; E55-R58 PolarHBondContact O-N 2.9Å; E55-R58 VanDerWaalsContact O-N 3.15Å; E55-K59 HydrophobicContact CB-CD 4.49Å; E55-K59 WeakPolarHBondContact O-CB 3.49Å; E55-K59 WeakPolarHBondContact O-CG 3.07Å; E55-K59 PolarHBondContact O-N 3.31Å; E55-K59 IonicContact OE2-NZ 3.91Å; E55-K59 PolarHBondContact OE2-NZ 3.34Å
56H87Confident89.2Confident73 Ų7359.9 Ų59.934%0.33828%0.275SS..Hα-helixtrans-64.1-37.7-179.7-62.1-62.1000112I23 S54 R58 K59 F60 I63I23-H56 HydrophobicContact CD1-CB 3.78Å; S54-H56 PolarHBondContact O-N 3.35Å; H56-R58 VanDerWaalsContact C-N 3.34Å; H56-K59 PolarHBondContact O-N 3.4Å; H56-F60 HydrophobicContact CB-CD2 4.13Å; H56-F60 HydrophobicContact CB-CE2 4.49Å; H56-F60 AromaticContact ND1-CE2 3.68Å; H56-F60 WeakPolarHBondContact O-CB 3.16Å; H56-F60 WeakPolarHBondContact O-CD2 3.35Å; H56-F60 PolarHBondContact O-N 2.97Å; H56-I63 HydrophobicContact CB-CD1 4Å
57F87.8Confident89.4Confident0 Ų054.5 Ų54.50%026%0.255CS..Hα-helixtrans-62.7-41.3173-178-91.4000111.6T51 F52 S54 E55 R64 V67 L120 W145T51-F57 WeakPolarHBondContact O-CB 3.46Å; F52-F57 HydrophobicContact CD1-CD2 4.12Å; F52-F57 HydrophobicContact CD1-CE1 4.42Å; F52-F57 AromaticContact CD1-CE2 3.59Å; F52-F57 HydrophobicContact CD1-CE2 3.59Å; F52-F57 AromaticContact CD1-CZ 3.77Å; F52-F57 HydrophobicContact CD1-CZ 3.77Å; F52-F57 HydrophobicContact CE1-CE2 4.03Å; F52-F57 HydrophobicContact CE1-CZ 4.3Å; F52-F57 WeakPolarHBondContact O-CD1 3.34Å; S54-F57 PolarHBondContact O-N 2.96Å; S54-F57 WeakPolarHBondContact OG-CB 3.3Å; S54-F57 PolarHBondContact OG-N 2.74Å; E55-F57 VanDerWaalsContact C-N 3.33Å; E55-F57 PolarHBondContact O-N 3.39Å; F57-R64 HydrophobicContact CD1-CG 4.22Å; F57-R64 HydrophobicContact CD2-CB 4.33Å; F57-R64 HydrophobicContact CD2-CG 3.94Å; F57-R64 HydrophobicContact CE1-CG 4.12Å; F57-R64 HydrophobicContact CE2-CB 3.88Å; F57-R64 HydrophobicContact CE2-CG 3.85Å; F57-R64 HydrophobicContact CG-CG 4.12Å; F57-R64 HydrophobicContact CZ-CB 4.1Å; F57-R64 HydrophobicContact CZ-CG 3.93Å; F57-R64 WeakPolarHBondContact O-CD 3Å; F57-R64 WeakPolarHBondContact O-CG 3.41Å; F57-R64 PolarHBondContact O-NE 3.13Å; F57-V67 HydrophobicContact CE2-CB 4.36Å; F57-L120 HydrophobicContact CZ-CD2 4.18Å; F57-W145 HydrophobicContact CE1-CH2 4.09Å; F57-W145 HydrophobicContact CZ-CH2 4.02Å
58R87.2Confident89.6Confident107 Ų10752.3 Ų52.340%0.40424%0.243SC..Hα-helixtrans-67.4-40.3176.4-60.7-178.8-169.6177.55.1112S54 E55 H56 R64S54-R58 PolarHBondContact O-N 3.44Å; E55-R58 PolarHBondContact O-N 2.9Å; E55-R58 VanDerWaalsContact O-N 3.15Å; H56-R58 VanDerWaalsContact C-N 3.34Å; R58-R64 PolarHBondContact O-NH2 3.35Å
59K86.7Confident89.7Confident128 Ų12854.4 Ų54.456%0.55726%0.261SS*.Hα-helixtrans-76.7-43.2-176.3-73170.3175.3166.10113.2E55 H56E55-K59 HydrophobicContact CB-CD 4.49Å; E55-K59 WeakPolarHBondContact O-CB 3.49Å; E55-K59 WeakPolarHBondContact O-CG 3.07Å; E55-K59 PolarHBondContact O-N 3.31Å; E55-K59 IonicContact OE2-NZ 3.91Å; E55-K59 PolarHBondContact OE2-NZ 3.34Å; H56-K59 PolarHBondContact O-N 3.4Å
60F89.3Confident89.8Confident54 Ų5455.1 Ų55.124%0.23727%0.267CS..  trans-111.3108.9-168.5-58-62.8000113.2T16 I20 H56 Q62 I63 R64T16-F60 HydrophobicContact CG2-CE1 3.59Å; T16-F60 HydrophobicContact CG2-CE2 4.44Å; T16-F60 HydrophobicContact CG2-CZ 3.43Å; T16-F60 VanDerWaalsContact CG2-CZ 3.43Å; I20-F60 HydrophobicContact CD1-CD1 3.91Å; I20-F60 HydrophobicContact CD1-CD2 4.45Å; I20-F60 HydrophobicContact CD1-CE1 4.03Å; I20-F60 HydrophobicContact CD1-CG 4.14Å; I20-F60 HydrophobicContact CD1-CZ 4.35Å; I20-F60 HydrophobicContact CG1-CD1 4.5Å; I20-F60 HydrophobicContact CG1-CD2 4.16Å; I20-F60 HydrophobicContact CG1-CE2 4.28Å; I20-F60 HydrophobicContact CG1-CG 4.28Å; H56-F60 HydrophobicContact CB-CD2 4.13Å; H56-F60 HydrophobicContact CB-CE2 4.49Å; H56-F60 AromaticContact ND1-CE2 3.68Å; H56-F60 WeakPolarHBondContact O-CB 3.16Å; H56-F60 WeakPolarHBondContact O-CD2 3.35Å; H56-F60 PolarHBondContact O-N 2.97Å; F60-Q62 VanDerWaalsContact C-N 3.29Å; F60-Q62 PolarHBondContact O-N 3.48Å; F60-I63 HydrophobicContact CB-CB 4.28Å; F60-I63 HydrophobicContact CB-CD1 3.87Å; F60-I63 HydrophobicContact CB-CG1 3.91Å; F60-I63 HydrophobicContact CD2-CD1 3.78Å; F60-I63 HydrophobicContact CG-CD1 4.22Å; F60-I63 PolarHBondContact O-N 3.19Å; F60-R64 PolarHBondContact O-N 2.94Å
61R89.2Confident90.1Very high124 Ų12450.5 Ų50.547%0.46825%0.246SC..Hα-helixtrans-56-39176.4-64-172.3179.4108.9-5.5113.5I63 R64 A65 D144R61-I63 PolarHBondContact O-N 3.31Å; R61-R64 WeakPolarHBondContact O-CB 3.24Å; R61-R64 PolarHBondContact O-N 3.3Å; R61-A65 PolarHBondContact O-N 3.04Å; R61-D144 IonicContact NH2-OD2 2.76Å; R61-D144 PolarHBondContact NH2-OD2 3.16Å
62Q89Confident90.6Very high123 Ų12349.3 Ų49.358%0.57524%0.239SC*.Hα-helixtrans-58.4-37177.2-65.1-177.713.800112.5F60 L66F60-Q62 VanDerWaalsContact C-N 3.29Å; F60-Q62 PolarHBondContact O-N 3.48Å; Q62-L66 VanDerWaalsContact O-CB 3.26Å; Q62-L66 WeakPolarHBondContact O-CB 3.43Å; Q62-L66 PolarHBondContact O-N 2.98Å; Q62-L66 VanDerWaalsContact O-N 3.11Å
63I90.7Very high90.9Very high2 Ų252.7 Ų52.71%0.0126%0.26CS..Hα-helixtrans-70.6-39.5177.1-62-179.6000109.6I20 I23 H56 F60 R61 L66 V67I20-I63 HydrophobicContact CG1-CD1 4.35Å; I23-I63 HydrophobicContact CB-CD1 4.44Å; I23-I63 HydrophobicContact CD1-CD1 3.81Å; I23-I63 HydrophobicContact CG2-CD1 4.15Å; I23-I63 HydrophobicContact CG2-CG2 4.19Å; H56-I63 HydrophobicContact CB-CD1 4Å; F60-I63 HydrophobicContact CB-CB 4.28Å; F60-I63 HydrophobicContact CB-CD1 3.87Å; F60-I63 HydrophobicContact CB-CG1 3.91Å; F60-I63 HydrophobicContact CD2-CD1 3.78Å; F60-I63 HydrophobicContact CG-CD1 4.22Å; F60-I63 PolarHBondContact O-N 3.19Å; R61-I63 PolarHBondContact O-N 3.31Å; I63-L66 PolarHBondContact O-N 3.05Å; I63-V67 HydrophobicContact CG2-CG2 4Å; I63-V67 WeakPolarHBondContact O-CB 3.19Å; I63-V67 WeakPolarHBondContact O-CG2 3.28Å; I63-V67 PolarHBondContact O-N 2.89Å
64R92.8Very high91.3Very high11 Ų1148.5 Ų48.54%0.04224%0.24CC..Hα-helixtrans-59.7-54.9177.3-54.8-174.7-145.2151.8-10111.7F57 R58 F60 R61 L66 V67 I68 L143 D144 W145 E149F57-R64 HydrophobicContact CD1-CG 4.22Å; F57-R64 HydrophobicContact CD2-CB 4.33Å; F57-R64 HydrophobicContact CD2-CG 3.94Å; F57-R64 HydrophobicContact CE1-CG 4.12Å; F57-R64 HydrophobicContact CE2-CB 3.88Å; F57-R64 HydrophobicContact CE2-CG 3.85Å; F57-R64 HydrophobicContact CG-CG 4.12Å; F57-R64 HydrophobicContact CZ-CB 4.1Å; F57-R64 HydrophobicContact CZ-CG 3.93Å; F57-R64 WeakPolarHBondContact O-CD 3Å; F57-R64 WeakPolarHBondContact O-CG 3.41Å; F57-R64 PolarHBondContact O-NE 3.13Å; R58-R64 PolarHBondContact O-NH2 3.35Å; F60-R64 PolarHBondContact O-N 2.94Å; R61-R64 WeakPolarHBondContact O-CB 3.24Å; R61-R64 PolarHBondContact O-N 3.3Å; R64-L66 VanDerWaalsContact C-N 3.26Å; R64-L66 PolarHBondContact O-N 3.18Å; R64-V67 PolarHBondContact O-N 3.36Å; R64-I68 WeakPolarHBondContact O-CB 3.5Å; R64-I68 WeakPolarHBondContact O-CD1 3.44Å; R64-I68 WeakPolarHBondContact O-CG1 3.47Å; R64-I68 PolarHBondContact O-N 3.42Å; R64-L143 VanDerWaalsContact CZ-CD2 3.41Å; R64-D144 PolarHBondContact NH1-O 2.97Å; R64-W145 HydrophobicContact CB-CZ3 4.18Å; R64-W145 HydrophobicContact CG-CZ3 4.44Å; R64-E149 WeakPolarHBondContact CD-OE1 3.05Å; R64-E149 IonicContact CZ-OE1 3.21Å; R64-E149 IonicContact NE-OE1 3.4Å; R64-E149 IonicContact NH1-OE1 3.53Å; R64-E149 PolarHBondContact NH1-OE1 3.24Å; R64-E149 VanDerWaalsContact NH1-OE1 3.13Å; R64-E149 IonicContact NH1-OE2 3.33Å; R64-E149 PolarHBondContact NH1-OE2 3.09Å
65A90.9Very high91.7Very high35 Ų3546.7 Ų46.729%0.28923%0.228SC..Hα-helixtrans-57.5-41.9179.600000111.5R61 A69R61-A65 PolarHBondContact O-N 3.04Å; A65-A69 WeakPolarHBondContact O-CB 3.29Å; A65-A69 PolarHBondContact O-N 3.2Å
66L92.1Very high92.1Very high55 Ų5544.3 Ų44.329%0.28822%0.215SC..Hα-helixtrans-63.8-51.4176.8-176.569.8000112.4K24 I27 Q62 I63 R64 I68 A69 S70K24-L66 HydrophobicContact CB-CD2 4.09Å; K24-L66 HydrophobicContact CD-CD2 4.38Å; K24-L66 HydrophobicContact CG-CD2 3.56Å; I27-L66 HydrophobicContact CD1-CD2 4.28Å; Q62-L66 VanDerWaalsContact O-CB 3.26Å; Q62-L66 WeakPolarHBondContact O-CB 3.43Å; Q62-L66 PolarHBondContact O-N 2.98Å; Q62-L66 VanDerWaalsContact O-N 3.11Å; I63-L66 PolarHBondContact O-N 3.05Å; R64-L66 VanDerWaalsContact C-N 3.26Å; R64-L66 PolarHBondContact O-N 3.18Å; L66-I68 VanDerWaalsContact C-N 3.28Å; L66-I68 PolarHBondContact O-N 3.39Å; L66-A69 PolarHBondContact O-N 3.15Å; L66-S70 VanDerWaalsContact O-CB 3.27Å; L66-S70 WeakPolarHBondContact O-CB 3.43Å; L66-S70 PolarHBondContact O-N 3.36Å; L66-S70 PolarHBondContact O-OG 2.59Å
67V94.1Very high92.3Very high0 Ų045.6 Ų45.60%023%0.225CC..Hα-helixtrans-61.7-40.4-177.9177.60000110.5I27 I48 F52 F57 I63 R64 L71I27-V67 HydrophobicContact CD1-CG2 3.53Å; I48-V67 HydrophobicContact CG2-CG1 4.01Å; F52-V67 HydrophobicContact CD1-CG1 4.01Å; F52-V67 HydrophobicContact CE1-CB 4.39Å; F52-V67 HydrophobicContact CE1-CG1 3.39Å; F52-V67 HydrophobicContact CZ-CG1 4.23Å; F57-V67 HydrophobicContact CE2-CB 4.36Å; I63-V67 HydrophobicContact CG2-CG2 4Å; I63-V67 WeakPolarHBondContact O-CB 3.19Å; I63-V67 WeakPolarHBondContact O-CG2 3.28Å; I63-V67 PolarHBondContact O-N 2.89Å; R64-V67 PolarHBondContact O-N 3.36Å; V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.36Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.45Å; V67-L71 PolarHBondContact O-N 3.22Å
68I95Very high92.6Very high0 Ų046.5 Ų46.50%023%0.23CC..Hα-helixtrans-60.2-52.6176-66.8160.4000110.2R64 L66 L71 C72 Y117 L120 L121 I124 W145R64-I68 WeakPolarHBondContact O-CB 3.5Å; R64-I68 WeakPolarHBondContact O-CD1 3.44Å; R64-I68 WeakPolarHBondContact O-CG1 3.47Å; R64-I68 PolarHBondContact O-N 3.42Å; L66-I68 VanDerWaalsContact C-N 3.28Å; L66-I68 PolarHBondContact O-N 3.39Å; I68-L71 PolarHBondContact O-N 2.9Å; I68-C72 PolarHBondContact O-N 2.69Å; I68-Y117 HydrophobicContact CG2-CE2 4.44Å; I68-Y117 PolarHBondContact O-OH 3.5Å; I68-L120 HydrophobicContact CG1-CD2 4.47Å; I68-L121 HydrophobicContact CG2-CD2 3.81Å; I68-I124 HydrophobicContact CD1-CD1 3.44Å; I68-I124 VanDerWaalsContact CD1-CD1 3.44Å; I68-I124 HydrophobicContact CG1-CD1 4.21Å; I68-W145 HydrophobicContact CD1-CZ3 4.29Å
69A95.1Very high92.8Very high44 Ų4441.9 Ų41.936%0.36421%0.213SC..Hα-helixtrans-63.9-44.6-179.600000112.5A65 L66 L71 C72 V73A65-A69 WeakPolarHBondContact O-CB 3.29Å; A65-A69 PolarHBondContact O-N 3.2Å; L66-A69 PolarHBondContact O-N 3.15Å; A69-L71 PolarHBondContact O-N 2.95Å; A69-C72 VanDerWaalsContact O-CB 3.28Å; A69-C72 WeakPolarHBondContact O-CB 3.39Å; A69-C72 PolarHBondContact O-N 2.73Å; A69-V73 PolarHBondContact O-N 3Å; A69-V73 VanDerWaalsContact O-N 3.1Å
70S94.6Very high93Very high24 Ų2436.8 Ų36.817%0.16819%0.194CC..Hα-helixtrans-62.3-41.4178.9-65.60000112.2L66 C72 V73 V74L66-S70 VanDerWaalsContact O-CB 3.27Å; L66-S70 WeakPolarHBondContact O-CB 3.43Å; L66-S70 PolarHBondContact O-N 3.36Å; L66-S70 PolarHBondContact O-OG 2.59Å; S70-C72 VanDerWaalsContact C-N 3.34Å; S70-V73 PolarHBondContact O-N 3.39Å; S70-V74 WeakPolarHBondContact O-CG2 3.34Å; S70-V74 PolarHBondContact O-N 3Å
71L96.2Very high92.9Very high0 Ų039.1 Ų39.10%022%0.223CC..Hα-helixtrans-66.8-36.2174.6-76.9171.5000112.1L45 I48 I49 F52 V67 I68 A69 V73 V74 F75 Y117L45-L71 HydrophobicContact CD1-CD2 3.7Å; I48-L71 HydrophobicContact CB-CD2 4.21Å; I48-L71 HydrophobicContact CG2-CD1 4.11Å; I48-L71 HydrophobicContact CG2-CD2 3.58Å; I48-L71 HydrophobicContact CG2-CG 3.78Å; I49-L71 HydrophobicContact CD1-CD1 3.7Å; I49-L71 HydrophobicContact CD1-CD2 4.09Å; F52-L71 HydrophobicContact CE1-CD1 3.86Å; F52-L71 HydrophobicContact CE2-CD1 4.14Å; F52-L71 HydrophobicContact CZ-CD1 3.26Å; V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.36Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.45Å; V67-L71 PolarHBondContact O-N 3.22Å; I68-L71 PolarHBondContact O-N 2.9Å; A69-L71 PolarHBondContact O-N 2.95Å; L71-V73 VanDerWaalsContact C-N 3.34Å; L71-V73 PolarHBondContact O-N 3.04Å; L71-V74 PolarHBondContact O-N 3.32Å; L71-F75 HydrophobicContact CB-CD2 4.23Å; L71-F75 HydrophobicContact CB-CE2 4.21Å; L71-F75 HydrophobicContact CD2-CE2 4.02Å; L71-F75 WeakPolarHBondContact O-CB 3.46Å; L71-F75 WeakPolarHBondContact O-CD2 3.29Å; L71-F75 PolarHBondContact O-N 3.38Å; L71-Y117 HydrophobicContact CB-CD2 3.95Å; L71-Y117 HydrophobicContact CB-CE1 4.37Å; L71-Y117 HydrophobicContact CB-CE2 3.73Å; L71-Y117 HydrophobicContact CB-CG 4.39Å; L71-Y117 HydrophobicContact CD1-CD2 3.75Å; L71-Y117 HydrophobicContact CD1-CE2 4.15Å; L71-Y117 HydrophobicContact CD1-CG 4.41Å
72C96.8Very high92.9Very high1 Ų139.4 Ų39.41%0.00723%0.225CC..Hα-helixtrans-58-47.3174.3-166.70000111.9I68 A69 S70 F75 K76 Y117 C156I68-C72 PolarHBondContact O-N 2.69Å; A69-C72 VanDerWaalsContact O-CB 3.28Å; A69-C72 WeakPolarHBondContact O-CB 3.39Å; A69-C72 PolarHBondContact O-N 2.73Å; S70-C72 VanDerWaalsContact C-N 3.34Å; C72-F75 PolarHBondContact O-N 3.46Å; C72-K76 VanDerWaalsContact O-CB 3.27Å; C72-K76 WeakPolarHBondContact O-CB 3.41Å; C72-K76 PolarHBondContact O-N 3.05Å; C72-Y117 WeakPolarHBondContact CB-OH 3.48Å; C72-Y117 PolarHBondContact N-OH 3.43Å; C72-C156 HydrophobicContact CB-CB 3.91Å; C72-C156 WeakPolarHBondContact CB-SG 3.43Å; C72-C156 WeakPolarHBondContact SG-CA 3.28Å; C72-C156 VanDerWaalsContact SG-CB 3.57Å
73V94.1Very high93Very high73 Ų7340.2 Ų40.244%0.44222%0.222SC..Hα-helixtrans-61.5-46.5177.5175.90000110.6A69 S70 L71 F75 K76 D77A69-V73 PolarHBondContact O-N 3Å; A69-V73 VanDerWaalsContact O-N 3.1Å; S70-V73 PolarHBondContact O-N 3.39Å; L71-V73 VanDerWaalsContact C-N 3.34Å; L71-V73 PolarHBondContact O-N 3.04Å; V73-F75 PolarHBondContact O-N 2.91Å; V73-K76 PolarHBondContact O-N 3.45Å; V73-D77 PolarHBondContact O-N 2.78Å
74V95.2Very high93Very high1 Ų140.4 Ų40.41%0.00622%0.223CC..Hα-helixtrans-60.5-48.8178.2171.80000111.6C31 I34 L45 S70 L71 K76 D77 V78C31-V74 HydrophobicContact CB-CG2 3.89Å; I34-V74 HydrophobicContact CB-CG1 4.38Å; I34-V74 HydrophobicContact CG2-CG1 3.61Å; L45-V74 HydrophobicContact CD1-CG1 4.18Å; S70-V74 WeakPolarHBondContact O-CG2 3.34Å; S70-V74 PolarHBondContact O-N 3Å; L71-V74 PolarHBondContact O-N 3.32Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 2.97Å; V74-D77 PolarHBondContact O-N 2.86Å; V74-V78 HydrophobicContact CG1-CG2 4.03Å; V74-V78 VanDerWaalsContact O-CB 3.26Å; V74-V78 WeakPolarHBondContact O-CB 3.39Å; V74-V78 WeakPolarHBondContact O-CG2 3.5Å; V74-V78 PolarHBondContact O-N 3.3Å
75F96.1Very high92.7Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-68.8-32.4-179.5-74.9-59.5000112.5L45 L71 C72 V73 D77 L79 L110 N113 Y114 Y117 L160L45-F75 HydrophobicContact CD1-CE1 4.43Å; L45-F75 HydrophobicContact CD1-CZ 4.04Å; L45-F75 HydrophobicContact CD2-CE1 3.94Å; L45-F75 HydrophobicContact CD2-CZ 4.16Å; L71-F75 HydrophobicContact CB-CD2 4.23Å; L71-F75 HydrophobicContact CB-CE2 4.21Å; L71-F75 HydrophobicContact CD2-CE2 4.02Å; L71-F75 WeakPolarHBondContact O-CB 3.46Å; L71-F75 WeakPolarHBondContact O-CD2 3.29Å; L71-F75 PolarHBondContact O-N 3.38Å; C72-F75 PolarHBondContact O-N 3.46Å; V73-F75 PolarHBondContact O-N 2.91Å; F75-D77 PolarHBondContact O-N 3.22Å; F75-L79 HydrophobicContact CB-CD1 4.11Å; F75-L79 HydrophobicContact CB-CG 4.17Å; F75-L79 HydrophobicContact CD1-CD2 4.17Å; F75-L79 HydrophobicContact CD1-CG 4.29Å; F75-L79 VanDerWaalsContact O-CB 3.23Å; F75-L79 WeakPolarHBondContact O-CB 3.4Å; F75-L79 WeakPolarHBondContact O-CD1 3.28Å; F75-L79 WeakPolarHBondContact O-CG 3.32Å; F75-L79 PolarHBondContact O-N 3.5Å; F75-L79 VanDerWaalsContact O-N 3.09Å; F75-L110 HydrophobicContact CD1-CD1 4.43Å; F75-L110 HydrophobicContact CE1-CD1 4.1Å; F75-N113 HydrophobicContact CZ-CB 4.37Å; F75-Y114 HydrophobicContact CB-CD2 4.23Å; F75-Y114 HydrophobicContact CB-CE2 4.29Å; F75-Y114 AromaticContact CD1-CD2 3.61Å; F75-Y114 HydrophobicContact CD1-CD2 3.61Å; F75-Y114 HydrophobicContact CD1-CE2 4.46Å; F75-Y114 HydrophobicContact CD1-CG 4.36Å; F75-Y114 HydrophobicContact CD2-CD2 4.01Å; F75-Y114 AromaticContact CE1-CD2 3.87Å; F75-Y114 HydrophobicContact CE1-CD2 3.87Å; F75-Y114 HydrophobicContact CE1-CG 4.3Å; F75-Y114 HydrophobicContact CE2-CD2 4.26Å; F75-Y114 AromaticContact CG-CD2 3.69Å; F75-Y114 HydrophobicContact CG-CD2 3.69Å; F75-Y114 HydrophobicContact CG-CE2 4.21Å; F75-Y114 HydrophobicContact CZ-CD2 4.2Å; F75-Y117 AromaticContact CD2-CD1 3.33Å; F75-Y117 HydrophobicContact CD2-CD1 3.33Å; F75-Y117 AromaticContact CD2-CE1 3.73Å; F75-Y117 HydrophobicContact CD2-CE1 3.73Å; F75-Y117 HydrophobicContact CD2-CG 4.02Å; F75-Y117 AromaticContact CE2-CD1 3.47Å; F75-Y117 HydrophobicContact CE2-CD1 3.47Å; F75-Y117 VanDerWaalsContact CE2-CD1 3.47Å; F75-Y117 HydrophobicContact CE2-CE1 4.25Å; F75-Y117 AromaticContact CE2-CG 3.67Å; F75-Y117 HydrophobicContact CE2-CG 3.67Å; F75-Y117 HydrophobicContact CG-CD1 4.42Å; F75-L160 HydrophobicContact CB-CD2 3.96Å
76K93.5Very high92.3Very high75 Ų7550.8 Ų50.833%0.32626%0.262SS..Hα-helixtrans-56.2-40.7174.7177.8177.5166169.20111.8C72 V73 V74 N163 H164C72-K76 VanDerWaalsContact O-CB 3.27Å; C72-K76 WeakPolarHBondContact O-CB 3.41Å; C72-K76 PolarHBondContact O-N 3.05Å; V73-K76 PolarHBondContact O-N 3.45Å; V74-K76 VanDerWaalsContact C-N 3.33Å; V74-K76 PolarHBondContact O-N 2.97Å; K76-N163 WeakPolarHBondContact CE-ND2 3.22Å; K76-N163 VanDerWaalsContact CE-OD1 3.25Å; K76-N163 WeakPolarHBondContact CE-OD1 3.46Å; K76-N163 HydrophobicContact CG-CB 4.17Å; K76-H164 PolarHBondContact O-NE2 2.82Å
77D92.3Very high91.6Very high101 Ų10149.5 Ų49.554%0.5426%0.259SS..Hα-helixtrans-93.9-26.6-175.3-61.5-19000113.4L35 V73 V74 F75L35-D77 HydrophobicContact CD2-CB 3.72Å; V73-D77 PolarHBondContact O-N 2.78Å; V74-D77 PolarHBondContact O-N 2.86Å; F75-D77 PolarHBondContact O-N 3.22Å
78V93Very high91Very high19 Ų1952.6 Ų52.612%0.11528%0.278CS..Hα-helixtrans-90.1-24.4-175.7176.10000113.1I34 L35 P38 V74 F106 L110I34-V78 HydrophobicContact CG2-CG2 4.02Å; L35-V78 HydrophobicContact CD2-CG2 4.35Å; P38-V78 HydrophobicContact CB-CG1 3.89Å; P38-V78 HydrophobicContact CB-CG2 4.25Å; V74-V78 HydrophobicContact CG1-CG2 4.03Å; V74-V78 VanDerWaalsContact O-CB 3.26Å; V74-V78 WeakPolarHBondContact O-CB 3.39Å; V74-V78 WeakPolarHBondContact O-CG2 3.5Å; V74-V78 PolarHBondContact O-N 3.3Å; V78-F106 HydrophobicContact CG1-CZ 4.33Å; V78-L110 HydrophobicContact CG1-CD1 3.77Å; V78-L110 HydrophobicContact CG1-CD2 4.31Å
79L93.3Very high90.3Very high9 Ų960.6 Ų60.65%0.04732%0.315CS..SBendtrans-67.3133.1-176.9-74.1177.6000111.6F75 Y114 L160 H164 F167F75-L79 HydrophobicContact CB-CD1 4.11Å; F75-L79 HydrophobicContact CB-CG 4.17Å; F75-L79 HydrophobicContact CD1-CD2 4.17Å; F75-L79 HydrophobicContact CD1-CG 4.29Å; F75-L79 VanDerWaalsContact O-CB 3.23Å; F75-L79 WeakPolarHBondContact O-CB 3.4Å; F75-L79 WeakPolarHBondContact O-CD1 3.28Å; F75-L79 WeakPolarHBondContact O-CG 3.32Å; F75-L79 PolarHBondContact O-N 3.5Å; F75-L79 VanDerWaalsContact O-N 3.09Å; L79-Y114 HydrophobicContact CD1-CD2 4.07Å; L79-Y114 HydrophobicContact CD1-CE2 3.6Å; L79-Y114 HydrophobicContact CD2-CD2 4.17Å; L79-Y114 HydrophobicContact CD2-CG 4.23Å; L79-L160 HydrophobicContact CD1-CD2 4.41Å; L79-H164 HydrophobicContact CD1-CB 4.47Å; L79-H164 PolarHBondContact O-CE1 3.09Å; L79-F167 HydrophobicContact CD1-CD1 4.01Å; L79-F167 HydrophobicContact CD1-CE1 4.26Å; L79-F167 HydrophobicContact CD2-CD1 3.96Å; L79-F167 HydrophobicContact CD2-CE1 3.39Å; L79-F167 HydrophobicContact CD2-CE2 4.25Å; L79-F167 HydrophobicContact CD2-CZ 3.56Å; L79-F167 HydrophobicContact CG-CD1 4.49Å; L79-F167 HydrophobicContact CG-CE1 4.36Å
80P89.8Confident89.5Confident22 Ų2266.6 Ų66.614%0.14333%0.333CS..  trans-69154.4174.2-18.430.9000112.6Y82 I84P80-Y82 HydrophobicContact CB-CD1 3.78Å; P80-Y82 HydrophobicContact CB-CD2 4.49Å; P80-Y82 HydrophobicContact CB-CE1 3.55Å; P80-Y82 HydrophobicContact CB-CE2 4.3Å; P80-Y82 HydrophobicContact CB-CG 4.25Å; P80-Y82 HydrophobicContact CG-CE1 4.36Å; P80-Y82 PolarHBondContact O-N 3.17Å; P80-I84 HydrophobicContact CG-CD1 4.43Å
81A86.5Confident88.8Confident102 Ų10268.1 Ų68.184%0.84334%0.338SS*.SBendtrans-70.5-8.4173.100000114
82Y89.5Confident87.9Confident130 Ų13073.4 Ų73.451%0.5136%0.36SS..SBendtrans-111.9155.9178.762.8-93.7000111.4P80 I84 E107 F167P80-Y82 HydrophobicContact CB-CD1 3.78Å; P80-Y82 HydrophobicContact CB-CD2 4.49Å; P80-Y82 HydrophobicContact CB-CE1 3.55Å; P80-Y82 HydrophobicContact CB-CE2 4.3Å; P80-Y82 HydrophobicContact CB-CG 4.25Å; P80-Y82 HydrophobicContact CG-CE1 4.36Å; P80-Y82 PolarHBondContact O-N 3.17Å; Y82-I84 HydrophobicContact CE2-CG1 4.36Å; Y82-E107 WeakPolarHBondContact CE2-OE1 3.45Å; Y82-E107 PolarHBondContact OH-OE1 3.5Å; Y82-F167 WeakPolarHBondContact O-CD2 3.5Å
83R90.7Very high87Confident141 Ų14179 Ų7953%0.53240%0.395SS..PPolyproline II helixtrans-77.3126.3177.6-168.9179.8-177.4123.2-0.5111R85 N168R83-R85 PolarHBondContact O-N 2.85Å; R83-N168 WeakPolarHBondContact CG-OD1 3.28Å
84I91.5Very high86.4Confident6 Ų681 Ų813%0.03140%0.399CS..PPolyproline II helixtrans-74.7122176.7-63.6173.4000109.2P80 Y82 E107 L110 L111 F167 N168P80-I84 HydrophobicContact CG-CD1 4.43Å; Y82-I84 HydrophobicContact CE2-CG1 4.36Å; I84-E107 HydrophobicContact CD1-CB 4.1Å; I84-E107 HydrophobicContact CD1-CG 4.17Å; I84-E107 HydrophobicContact CG1-CG 4.41Å; I84-E107 HydrophobicContact CG2-CB 3.9Å; I84-L110 HydrophobicContact CD1-CD2 4.29Å; I84-L111 HydrophobicContact CG2-CD2 4.2Å; I84-F167 HydrophobicContact CD1-CE2 4.02Å; I84-F167 HydrophobicContact CD1-CZ 3.86Å; I84-F167 HydrophobicContact CG1-CE2 3.98Å; I84-F167 HydrophobicContact CG1-CZ 4.23Å; I84-N168 PolarHBondContact N-OD1 3.49Å; I84-N168 PolarHBondContact O-ND2 2.91Å
85R86.7Confident85.7Confident171 Ų17186.3 Ų86.365%0.64543%0.434SS*.PPolyproline II helixtrans-96.3121.5169.3177.1-178.5166.5-143.3-14.1108.7R83 T88 E91R83-R85 PolarHBondContact O-N 2.85Å; R85-T88 PolarHBondContact NH2-OG1 3.47Å; R85-T88 VanDerWaalsContact NH2-OG1 3.17Å; R85-E91 IonicContact CZ-OE1 3.81Å; R85-E91 IonicContact NH1-OE1 3.59Å; R85-E91 IonicContact NH2-OE1 2.62Å; R85-E91 PolarHBondContact NH2-OE1 3.46Å; R85-E91 IonicContact NH2-OE2 3.59Å; R85-E91 PolarHBondContact NH2-OE2 2.88Å
86L81.8Confident85Confident93 Ų9388 Ų8849%0.48744%0.444SS..PPolyproline II helixtrans-65.7135.8172.7-70.4172.2000110.5T88 E108 L111L86-T88 PolarHBondContact O-N 3.47Å; L86-E108 HydrophobicContact CD2-CB 4.43Å; L86-E108 HydrophobicContact CD2-CG 4.18Å; L86-L111 HydrophobicContact CD1-CD2 4.16Å; L86-L111 HydrophobicContact CD2-CD2 3.88Å; L86-L111 HydrophobicContact CG-CD2 3.83Å
87A77.6Confident84.7Confident28 Ų2892.1 Ų92.123%0.23146%0.462CS..PPolyproline II helixtrans-63.3133.3178.900000111.1E91 K92A87-E91 HydrophobicContact CB-CB 4.4Å; A87-K92 HydrophobicContact CB-CG 3.87Å; A87-K92 WeakPolarHBondContact O-CE 3.39Å
88T81.5Confident84.4Confident65 Ų6595.2 Ų95.240%0.39947%0.471SS..PPolyproline II helixtrans-68.6152.2175.6-41.50000109.4R85 L86 K90 E91 K92R85-T88 PolarHBondContact NH2-OG1 3.47Å; R85-T88 VanDerWaalsContact NH2-OG1 3.17Å; L86-T88 PolarHBondContact O-N 3.47Å; T88-K90 PolarHBondContact O-N 3.44Å; T88-K90 VanDerWaalsContact O-N 3.12Å; T88-E91 WeakPolarHBondContact CB-OE2 3.41Å; T88-E91 PolarHBondContact N-OE2 2.84Å; T88-E91 WeakPolarHBondContact O-CA 3.42Å; T88-E91 WeakPolarHBondContact O-CB 3.45Å; T88-E91 PolarHBondContact O-N 2.85Å; T88-E91 PolarHBondContact OG1-OE2 3.1Å; T88-K92 PolarHBondContact O-N 3.32Å
89E79.7Confident84Confident167 Ų167101.2 Ų101.278%0.7850%0.498SS*.Hα-helixtrans-51.7-39.4178.1-64.7179.2173.700112.6K92 T93E89-K92 PolarHBondContact O-N 3.46Å; E89-T93 PolarHBondContact O-N 3.11Å; E89-T93 VanDerWaalsContact O-N 3.14Å; E89-T93 PolarHBondContact O-OG1 3.27Å
90K78.5Confident83.7Confident171 Ų171103.2 Ų103.274%0.74351%0.51SS*.Hα-helixtrans-61.2-42.8174.2-62.5-177.1179.5-178.80113.1T88 T93 Q94T88-K90 PolarHBondContact O-N 3.44Å; T88-K90 VanDerWaalsContact O-N 3.12Å; K90-T93 PolarHBondContact O-N 2.83Å; K90-T93 PolarHBondContact O-OG1 3.13Å; K90-Q94 PolarHBondContact O-N 3.43Å
91E80.4Confident83.4Confident56 Ų56108.5 Ų108.526%0.26253%0.527SS..Hα-helixtrans-69.9-34.9178.9-68.3164.6165.300110.9R85 A87 T88 T93 Q94R85-E91 IonicContact CZ-OE1 3.81Å; R85-E91 IonicContact NH1-OE1 3.59Å; R85-E91 IonicContact NH2-OE1 2.62Å; R85-E91 PolarHBondContact NH2-OE1 3.46Å; R85-E91 IonicContact NH2-OE2 3.59Å; R85-E91 PolarHBondContact NH2-OE2 2.88Å; A87-E91 HydrophobicContact CB-CB 4.4Å; T88-E91 WeakPolarHBondContact CB-OE2 3.41Å; T88-E91 PolarHBondContact N-OE2 2.84Å; T88-E91 WeakPolarHBondContact O-CA 3.42Å; T88-E91 WeakPolarHBondContact O-CB 3.45Å; T88-E91 PolarHBondContact O-N 2.85Å; T88-E91 PolarHBondContact OG1-OE2 3.1Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 3.33Å; E91-Q94 WeakPolarHBondContact O-CB 3.28Å; E91-Q94 PolarHBondContact O-N 3.49Å
92K76.9Confident83.4Confident110 Ų110110 Ų11048%0.47851%0.514SS..Hα-helixtrans-65.7-34.8175.3-66.3-168.7178.4-162.80112.4A87 T88 E89 Q94 E108A87-K92 HydrophobicContact CB-CG 3.87Å; A87-K92 WeakPolarHBondContact O-CE 3.39Å; T88-K92 PolarHBondContact O-N 3.32Å; E89-K92 PolarHBondContact O-N 3.46Å; K92-Q94 VanDerWaalsContact C-N 3.3Å; K92-E108 IonicContact NZ-OE1 2.65Å; K92-E108 PolarHBondContact NZ-OE1 2.91Å; K92-E108 IonicContact NZ-OE2 2.84Å
93T78.5Confident83.3Confident118 Ų118107.4 Ų107.472%0.72451%0.509SS*.Hα-helixtrans-75.7-18.5176.854.20000113.7E89 K90 E91E89-T93 PolarHBondContact O-N 3.11Å; E89-T93 VanDerWaalsContact O-N 3.14Å; E89-T93 PolarHBondContact O-OG1 3.27Å; K90-T93 PolarHBondContact O-N 2.83Å; K90-T93 PolarHBondContact O-OG1 3.13Å; E91-T93 VanDerWaalsContact C-N 3.33Å; E91-T93 PolarHBondContact O-N 3.33Å
94Q81.2Confident83.1Confident115 Ų115104.7 Ų104.754%0.53750%0.499SS..SBendtrans-72.4136-177-165.8174.1-2.500110.9K90 E91 K92 T96K90-Q94 PolarHBondContact O-N 3.43Å; E91-Q94 WeakPolarHBondContact O-CB 3.28Å; E91-Q94 PolarHBondContact O-N 3.49Å; K92-Q94 VanDerWaalsContact C-N 3.3Å; Q94-T96 PolarHBondContact O-N 3.21Å
95P80Confident82.9Confident114 Ų114109.3 Ų109.374%0.7452%0.52SS*.  trans-65.5112.2173.326.4-33.3000109.9
96T81.2Confident83.1Confident34 Ų34102.5 Ų102.521%0.20950%0.495CS..  trans-114.6158176.648.90000111.2Q94 R101 W104Q94-T96 PolarHBondContact O-N 3.21Å; T96-R101 PolarHBondContact O-NE 3.08Å; T96-R101 WeakPolarHBondContact OG1-CG 3.48Å; T96-R101 PolarHBondContact OG1-NE 2.97Å; T96-R101 VanDerWaalsContact OG1-NE 3.16Å; T96-W104 HydrophobicContact CG2-CH2 3.56Å; T96-W104 HydrophobicContact CG2-CZ2 4.46Å; T96-W104 HydrophobicContact CG2-CZ3 3.73Å
97K87.8Confident83.6Confident162 Ų16299.1 Ų99.170%0.70448%0.477SS*.  trans-60.2150176-63.8-179.8179.2-179.10110.5E99 T100 R101K97-E99 PolarHBondContact O-N 3.44Å; K97-T100 PolarHBondContact O-N 3.06Å; K97-R101 WeakPolarHBondContact O-CG 3.25Å; K97-R101 PolarHBondContact O-N 3.23Å; K97-R101 VanDerWaalsContact O-N 3.09Å
98K86Confident84.2Confident166 Ų166101.4 Ų101.472%0.72248%0.483SS*.Hα-helixtrans-55.8-38.2179.8-173.2178.5179.2-179.10112.6R101 K102K98-R101 PolarHBondContact O-N 3.35Å; K98-K102 WeakPolarHBondContact O-CG 3.38Å; K98-K102 PolarHBondContact O-N 3.22Å
99E85.5Confident84.7Confident146 Ų146100.5 Ų100.568%0.68247%0.474SS*.Hα-helixtrans-67-48178-67.6170.3176.800112.1K97 R101 K102 I103K97-E99 PolarHBondContact O-N 3.44Å; E99-R101 PolarHBondContact O-N 3.49Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 2.88Å; E99-I103 PolarHBondContact O-N 3.18Å; E99-I103 VanDerWaalsContact O-N 3.09Å
100T85.9Confident85.4Confident50 Ų5092.6 Ų92.631%0.30744%0.437SS..Hα-helixtrans-57-39.3175.7-47.70000111.5K97 I103 W104K97-T100 PolarHBondContact O-N 3.06Å; T100-I103 PolarHBondContact O-N 3.44Å; T100-W104 HydrophobicContact CG2-CD2 4.21Å; T100-W104 HydrophobicContact CG2-CZ2 3.89Å; T100-W104 VanDerWaalsContact O-CG 3.31Å; T100-W104 PolarHBondContact O-N 3.24Å
101R84.7Confident86.1Confident134 Ų13484.7 Ų84.751%0.50640%0.403SS..Hα-helixtrans-64.3-38.4175-68.5178.9178.6178.8-4.6113T96 K97 K98 E99 H105T96-R101 PolarHBondContact O-NE 3.08Å; T96-R101 WeakPolarHBondContact OG1-CG 3.48Å; T96-R101 PolarHBondContact OG1-NE 2.97Å; T96-R101 VanDerWaalsContact OG1-NE 3.16Å; K97-R101 WeakPolarHBondContact O-CG 3.25Å; K97-R101 PolarHBondContact O-N 3.23Å; K97-R101 VanDerWaalsContact O-N 3.09Å; K98-R101 PolarHBondContact O-N 3.35Å; E99-R101 PolarHBondContact O-N 3.49Å; R101-H105 VanDerWaalsContact O-CB 3.3Å; R101-H105 WeakPolarHBondContact O-CB 3.06Å; R101-H105 PolarHBondContact O-N 3.43Å
102K86.9Confident86.7Confident132 Ų13285.6 Ų85.657%0.57441%0.409SS*.Hα-helixtrans-64-45.1176.7-73.4-179.9174.8-171.50111.4K98 E99 H105 F106K98-K102 WeakPolarHBondContact O-CG 3.38Å; K98-K102 PolarHBondContact O-N 3.22Å; E99-K102 WeakPolarHBondContact O-CB 3.39Å; E99-K102 PolarHBondContact O-N 2.88Å; K102-H105 PolarHBondContact O-N 2.98Å; K102-F106 WeakPolarHBondContact O-CB 3.45Å; K102-F106 PolarHBondContact O-N 3.37Å
103I87Confident87.5Confident76 Ų7680.4 Ų80.439%0.3939%0.387SS..Hα-helixtrans-61.3-49.6178.2-64.4166.7000110.2E99 T100 H105 F106 E107E99-I103 PolarHBondContact O-N 3.18Å; E99-I103 VanDerWaalsContact O-N 3.09Å; T100-I103 PolarHBondContact O-N 3.44Å; I103-H105 VanDerWaalsContact C-N 3.3Å; I103-H105 PolarHBondContact O-N 2.87Å; I103-F106 WeakPolarHBondContact O-CB 3.45Å; I103-F106 PolarHBondContact O-N 3.19Å; I103-F106 VanDerWaalsContact O-N 3.15Å; I103-E107 HydrophobicContact CG2-CG 4.32Å; I103-E107 WeakPolarHBondContact O-CG 3.39Å; I103-E107 PolarHBondContact O-N 3.47Å
104W86.5Confident88.4Confident84 Ų8475 Ų7532%0.31835%0.353SS..Hα-helixtrans-59.5-40.9177.6-70.2-10000113T96 T100 E107 E108T96-W104 HydrophobicContact CG2-CH2 3.56Å; T96-W104 HydrophobicContact CG2-CZ2 4.46Å; T96-W104 HydrophobicContact CG2-CZ3 3.73Å; T100-W104 HydrophobicContact CG2-CD2 4.21Å; T100-W104 HydrophobicContact CG2-CZ2 3.89Å; T100-W104 VanDerWaalsContact O-CG 3.31Å; T100-W104 PolarHBondContact O-N 3.24Å; W104-E107 PolarHBondContact O-N 3.39Å; W104-E108 VanDerWaalsContact O-CB 3.31Å; W104-E108 WeakPolarHBondContact O-CB 3.43Å; W104-E108 PolarHBondContact O-N 3.32Å
105H87.8Confident89Confident104 Ų10474.9 Ų74.948%0.48135%0.348SS..Hα-helixtrans-63.3-44.1176.8-173.264.4000111.5R101 K102 I103 H109R101-H105 VanDerWaalsContact O-CB 3.3Å; R101-H105 WeakPolarHBondContact O-CB 3.06Å; R101-H105 PolarHBondContact O-N 3.43Å; K102-H105 PolarHBondContact O-N 2.98Å; I103-H105 VanDerWaalsContact C-N 3.3Å; I103-H105 PolarHBondContact O-N 2.87Å; H105-H109 AromaticContact CD2-CD2 3.87Å; H105-H109 AromaticContact CE1-CD2 3.23Å; H105-H109 PolarHBondContact CE1-CD2 3.04Å; H105-H109 AromaticContact CE1-NE2 2.94Å; H105-H109 PolarHBondContact CE1-NE2 2.97Å; H105-H109 AromaticContact CG-CD2 3.92Å; H105-H109 AromaticContact ND1-CD2 3.52Å; H105-H109 AromaticContact ND1-NE2 3.54Å; H105-H109 AromaticContact NE2-CD2 3.45Å; H105-H109 PolarHBondContact NE2-CD2 3.33Å; H105-H109 AromaticContact NE2-NE2 3.49Å; H105-H109 PolarHBondContact NE2-NE2 3.3Å; H105-H109 WeakPolarHBondContact O-CB 3.37Å; H105-H109 PolarHBondContact O-CD2 3.03Å; H105-H109 PolarHBondContact O-N 3.4Å; H105-H109 VanDerWaalsContact O-N 3.12Å
106F90.8Very high89.6Confident27 Ų2773.1 Ų73.112%0.11833%0.328CS..Hα-helixtrans-60.6-50.3174.9171.3-103.8000111.6P38 E39 I42 V78 K102 I103 E108 H109 L110P38-F106 HydrophobicContact CB-CE2 4.14Å; P38-F106 HydrophobicContact CB-CZ 4.03Å; P38-F106 WeakPolarHBondContact O-CE2 3.35Å; E39-F106 HydrophobicContact CG-CD2 4.47Å; E39-F106 HydrophobicContact CG-CG 4.46Å; I42-F106 HydrophobicContact CB-CD2 4.21Å; I42-F106 HydrophobicContact CB-CE2 4.47Å; I42-F106 HydrophobicContact CD1-CD2 4.21Å; I42-F106 HydrophobicContact CD1-CE2 4.07Å; I42-F106 HydrophobicContact CG1-CD2 4.25Å; V78-F106 HydrophobicContact CG1-CZ 4.33Å; K102-F106 WeakPolarHBondContact O-CB 3.45Å; K102-F106 PolarHBondContact O-N 3.37Å; I103-F106 WeakPolarHBondContact O-CB 3.45Å; I103-F106 PolarHBondContact O-N 3.19Å; I103-F106 VanDerWaalsContact O-N 3.15Å; F106-E108 PolarHBondContact O-N 2.83Å; F106-H109 PolarHBondContact O-N 3.5Å; F106-L110 HydrophobicContact CE1-CD2 3.94Å; F106-L110 HydrophobicContact CZ-CD2 3.98Å; F106-L110 VanDerWaalsContact O-CB 3.29Å; F106-L110 WeakPolarHBondContact O-CB 3.4Å; F106-L110 PolarHBondContact O-N 2.83Å
107E91.8Very high90.3Very high23 Ų2371.5 Ų71.511%0.10732%0.318CS..Hα-helixtrans-61.1-43.4-180-74.3-176.915900112.7Y82 I84 I103 W104 H109 L110 L111Y82-E107 WeakPolarHBondContact CE2-OE1 3.45Å; Y82-E107 PolarHBondContact OH-OE1 3.5Å; I84-E107 HydrophobicContact CD1-CB 4.1Å; I84-E107 HydrophobicContact CD1-CG 4.17Å; I84-E107 HydrophobicContact CG1-CG 4.41Å; I84-E107 HydrophobicContact CG2-CB 3.9Å; I103-E107 HydrophobicContact CG2-CG 4.32Å; I103-E107 WeakPolarHBondContact O-CG 3.39Å; I103-E107 PolarHBondContact O-N 3.47Å; W104-E107 PolarHBondContact O-N 3.39Å; E107-H109 VanDerWaalsContact C-N 3.34Å; E107-H109 PolarHBondContact O-N 3.13Å; E107-L110 PolarHBondContact O-N 3.15Å; E107-L111 VanDerWaalsContact O-CB 3.27Å; E107-L111 WeakPolarHBondContact O-CB 3.39Å; E107-L111 PolarHBondContact O-N 3.14Å
108E90.7Very high90.7Very high76 Ų7663.9 Ų63.936%0.35529%0.285SS..Hα-helixtrans-61.2-43.6176.8-177.2170.3-140.900111L86 K92 W104 F106 L112L86-E108 HydrophobicContact CD2-CB 4.43Å; L86-E108 HydrophobicContact CD2-CG 4.18Å; K92-E108 IonicContact NZ-OE1 2.65Å; K92-E108 PolarHBondContact NZ-OE1 2.91Å; K92-E108 IonicContact NZ-OE2 2.84Å; W104-E108 VanDerWaalsContact O-CB 3.31Å; W104-E108 WeakPolarHBondContact O-CB 3.43Å; W104-E108 PolarHBondContact O-N 3.32Å; F106-E108 PolarHBondContact O-N 2.83Å; E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.36Å; E108-L112 PolarHBondContact O-N 3.43Å
109H91.8Very high91.1Very high46 Ų4657.5 Ų57.521%0.21326%0.258CS..Hα-helixtrans-72.6-38.5178-80.9-59.9000113.6I42 H105 F106 E107 L112 N113I42-H109 HydrophobicContact CD1-CB 4.27Å; I42-H109 HydrophobicContact CG1-CB 3.78Å; H105-H109 AromaticContact CD2-CD2 3.87Å; H105-H109 AromaticContact CE1-CD2 3.23Å; H105-H109 PolarHBondContact CE1-CD2 3.04Å; H105-H109 AromaticContact CE1-NE2 2.94Å; H105-H109 PolarHBondContact CE1-NE2 2.97Å; H105-H109 AromaticContact CG-CD2 3.92Å; H105-H109 AromaticContact ND1-CD2 3.52Å; H105-H109 AromaticContact ND1-NE2 3.54Å; H105-H109 AromaticContact NE2-CD2 3.45Å; H105-H109 PolarHBondContact NE2-CD2 3.33Å; H105-H109 AromaticContact NE2-NE2 3.49Å; H105-H109 PolarHBondContact NE2-NE2 3.3Å; H105-H109 WeakPolarHBondContact O-CB 3.37Å; H105-H109 PolarHBondContact O-CD2 3.03Å; H105-H109 PolarHBondContact O-N 3.4Å; H105-H109 VanDerWaalsContact O-N 3.12Å; F106-H109 PolarHBondContact O-N 3.5Å; E107-H109 VanDerWaalsContact C-N 3.34Å; E107-H109 PolarHBondContact O-N 3.13Å; H109-L112 PolarHBondContact O-N 2.95Å; H109-N113 WeakPolarHBondContact O-CB 3.33Å; H109-N113 VanDerWaalsContact O-CG 3.28Å; H109-N113 PolarHBondContact O-N 3.36Å; H109-N113 PolarHBondContact O-ND2 3.32Å; H109-N113 VanDerWaalsContact O-ND2 3.16Å
110L94.1Very high91.4Very high0 Ų050.5 Ų50.50%023%0.225CC..Hα-helixtrans-60.6-50174.9-179.364.1000109.9I42 L45 F75 V78 I84 F106 E107 L112 N113 Y114I42-L110 HydrophobicContact CD1-CB 4.47Å; L45-L110 HydrophobicContact CD2-CD1 3.99Å; F75-L110 HydrophobicContact CD1-CD1 4.43Å; F75-L110 HydrophobicContact CE1-CD1 4.1Å; V78-L110 HydrophobicContact CG1-CD1 3.77Å; V78-L110 HydrophobicContact CG1-CD2 4.31Å; I84-L110 HydrophobicContact CD1-CD2 4.29Å; F106-L110 HydrophobicContact CE1-CD2 3.94Å; F106-L110 HydrophobicContact CZ-CD2 3.98Å; F106-L110 VanDerWaalsContact O-CB 3.29Å; F106-L110 WeakPolarHBondContact O-CB 3.4Å; F106-L110 PolarHBondContact O-N 2.83Å; E107-L110 PolarHBondContact O-N 3.15Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.44Å; L110-N113 PolarHBondContact O-N 2.98Å; L110-Y114 VanDerWaalsContact O-CB 3.29Å; L110-Y114 WeakPolarHBondContact O-CB 3.24Å; L110-Y114 PolarHBondContact O-N 2.84Å
111L93.6Very high91.9Very high6 Ų648.1 Ų48.13%0.03121%0.211CC..Hα-helixtrans-63.1-39178.8-173.367.2000112.1I84 L86 E107 R115 F167 N168 Y169I84-L111 HydrophobicContact CG2-CD2 4.2Å; L86-L111 HydrophobicContact CD1-CD2 4.16Å; L86-L111 HydrophobicContact CD2-CD2 3.88Å; L86-L111 HydrophobicContact CG-CD2 3.83Å; E107-L111 VanDerWaalsContact O-CB 3.27Å; E107-L111 WeakPolarHBondContact O-CB 3.39Å; E107-L111 PolarHBondContact O-N 3.14Å; L111-R115 VanDerWaalsContact O-CB 3.27Å; L111-R115 WeakPolarHBondContact O-CB 3.21Å; L111-R115 PolarHBondContact O-N 3.37Å; L111-F167 HydrophobicContact CD1-CE1 4.39Å; L111-F167 HydrophobicContact CD1-CZ 4.34Å; L111-N168 HydrophobicContact CD1-CB 3.52Å; L111-Y169 HydrophobicContact CD1-CD2 4.36Å; L111-Y169 HydrophobicContact CD1-CE2 3.58Å; L111-Y169 HydrophobicContact CG-CE2 4.22Å
112L92.9Very high92.4Very high74 Ų7443 Ų4339%0.38719%0.191SC..Hα-helixtrans-64.8-43.5176.5179.664.7000112.3E108 H109 L110 K116E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.36Å; E108-L112 PolarHBondContact O-N 3.43Å; H109-L112 PolarHBondContact O-N 2.95Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.44Å; L112-K116 WeakPolarHBondContact O-CG 3.39Å; L112-K116 PolarHBondContact O-N 3.02Å
113N94.1Very high92.7Very high2 Ų237 Ų371%0.01117%0.166CC..Hα-helixtrans-68.7-41.8178-72.3-30.4000111.1L45 I49 F75 H109 L110 K116 Y117L45-N113 HydrophobicContact CD2-CB 3.95Å; L45-N113 HydrophobicContact CG-CB 4.13Å; I49-N113 HydrophobicContact CG1-CB 4.1Å; F75-N113 HydrophobicContact CZ-CB 4.37Å; H109-N113 WeakPolarHBondContact O-CB 3.33Å; H109-N113 VanDerWaalsContact O-CG 3.28Å; H109-N113 PolarHBondContact O-N 3.36Å; H109-N113 PolarHBondContact O-ND2 3.32Å; H109-N113 VanDerWaalsContact O-ND2 3.16Å; L110-N113 PolarHBondContact O-N 2.98Å; N113-K116 PolarHBondContact O-N 3.27Å; N113-Y117 PolarHBondContact O-N 2.92Å; N113-Y117 VanDerWaalsContact O-N 3.08Å
114Y95.6Very high93Very high4 Ų433.4 Ų33.42%0.01615%0.147CC..Hα-helixtrans-62-44.1175.3-176.1-111.2000111.6F75 L79 L110 K116 Y117 T118 L160 F167 N168 Y169F75-Y114 HydrophobicContact CB-CD2 4.23Å; F75-Y114 HydrophobicContact CB-CE2 4.29Å; F75-Y114 AromaticContact CD1-CD2 3.61Å; F75-Y114 HydrophobicContact CD1-CD2 3.61Å; F75-Y114 HydrophobicContact CD1-CE2 4.46Å; F75-Y114 HydrophobicContact CD1-CG 4.36Å; F75-Y114 HydrophobicContact CD2-CD2 4.01Å; F75-Y114 AromaticContact CE1-CD2 3.87Å; F75-Y114 HydrophobicContact CE1-CD2 3.87Å; F75-Y114 HydrophobicContact CE1-CG 4.3Å; F75-Y114 HydrophobicContact CE2-CD2 4.26Å; F75-Y114 AromaticContact CG-CD2 3.69Å; F75-Y114 HydrophobicContact CG-CD2 3.69Å; F75-Y114 HydrophobicContact CG-CE2 4.21Å; F75-Y114 HydrophobicContact CZ-CD2 4.2Å; L79-Y114 HydrophobicContact CD1-CD2 4.07Å; L79-Y114 HydrophobicContact CD1-CE2 3.6Å; L79-Y114 HydrophobicContact CD2-CD2 4.17Å; L79-Y114 HydrophobicContact CD2-CG 4.23Å; L110-Y114 VanDerWaalsContact O-CB 3.29Å; L110-Y114 WeakPolarHBondContact O-CB 3.24Å; L110-Y114 PolarHBondContact O-N 2.84Å; Y114-K116 VanDerWaalsContact C-N 3.35Å; Y114-K116 PolarHBondContact O-N 3.05Å; Y114-Y117 HydrophobicContact CD2-CD1 4.46Å; Y114-Y117 WeakPolarHBondContact O-CB 3.3Å; Y114-Y117 PolarHBondContact O-N 3.38Å; Y114-Y117 VanDerWaalsContact O-N 3.1Å; Y114-T118 HydrophobicContact CD1-CG2 4.05Å; Y114-T118 HydrophobicContact CD2-CG2 4.25Å; Y114-T118 HydrophobicContact CE1-CG2 3.57Å; Y114-T118 HydrophobicContact CE2-CG2 3.82Å; Y114-T118 HydrophobicContact CG-CG2 4.38Å; Y114-T118 VanDerWaalsContact CZ-CG2 3.47Å; Y114-T118 WeakPolarHBondContact O-CG2 3.44Å; Y114-T118 PolarHBondContact O-N 3.46Å; Y114-T118 PolarHBondContact O-OG1 2.89Å; Y114-L160 HydrophobicContact CE2-CD1 4.26Å; Y114-L160 HydrophobicContact CE2-CD2 4.23Å; Y114-F167 HydrophobicContact CD1-CD1 4.07Å; Y114-F167 AromaticContact CD1-CE1 3.6Å; Y114-F167 HydrophobicContact CD1-CE1 3.6Å; Y114-F167 AromaticContact CE1-CD1 3.67Å; Y114-F167 HydrophobicContact CE1-CD1 3.67Å; Y114-F167 AromaticContact CE1-CE1 3.72Å; Y114-F167 HydrophobicContact CE1-CE1 3.72Å; Y114-F167 HydrophobicContact CG-CE1 4.26Å; Y114-N168 WeakPolarHBondContact CE1-O 3.04Å; Y114-Y169 AromaticContact CD1-CD2 3.73Å; Y114-Y169 HydrophobicContact CD1-CD2 3.73Å; Y114-Y169 HydrophobicContact CD1-CE2 4.27Å; Y114-Y169 AromaticContact CE1-CD2 3.89Å; Y114-Y169 HydrophobicContact CE1-CD2 3.89Å
115R94.2Very high93.3Very high113 Ų11329.4 Ų29.443%0.42613%0.132SC..Hα-helixtrans-55.2-47.3173.8-178-174.7164.6-177-1.4112.2L111 Y117 T118 E119 Y169L111-R115 VanDerWaalsContact O-CB 3.27Å; L111-R115 WeakPolarHBondContact O-CB 3.21Å; L111-R115 PolarHBondContact O-N 3.37Å; R115-Y117 VanDerWaalsContact C-N 3.26Å; R115-Y117 PolarHBondContact O-N 3.36Å; R115-T118 PolarHBondContact O-N 3.23Å; R115-T118 PolarHBondContact O-OG1 3.47Å; R115-E119 HydrophobicContact CG-CG 4.37Å; R115-E119 IonicContact CZ-OE1 3.51Å; R115-E119 VanDerWaalsContact CZ-OE1 3.31Å; R115-E119 IonicContact NE-OE1 3.51Å; R115-E119 PolarHBondContact NE-OE1 3.27Å; R115-E119 IonicContact NH2-OE1 3.37Å; R115-E119 PolarHBondContact NH2-OE1 3.38Å; R115-E119 WeakPolarHBondContact O-CB 3.45Å; R115-E119 VanDerWaalsContact O-CG 3.26Å; R115-E119 WeakPolarHBondContact O-CG 3.43Å; R115-E119 PolarHBondContact O-N 3.44Å; R115-Y169 HydrophobicContact CB-CE2 3.73Å; R115-Y169 WeakPolarHBondContact CD-OH 3.46Å; R115-Y169 HydrophobicContact CG-CE1 4.17Å; R115-Y169 HydrophobicContact CG-CE2 4.2Å
116K93.3Very high93.3Very high76 Ų7631 Ų3133%0.3314%0.138SC..Hα-helixtrans-62-37.1178.5-71.6171.5-177.5175.20111.9I49 L112 N113 Y114 L120I49-K116 HydrophobicContact CG2-CB 3.98Å; I49-K116 HydrophobicContact CG2-CD 3.65Å; I49-K116 HydrophobicContact CG2-CG 4.49Å; L112-K116 WeakPolarHBondContact O-CG 3.39Å; L112-K116 PolarHBondContact O-N 3.02Å; N113-K116 PolarHBondContact O-N 3.27Å; Y114-K116 VanDerWaalsContact C-N 3.35Å; Y114-K116 PolarHBondContact O-N 3.05Å; K116-L120 PolarHBondContact O-N 3.29Å; K116-L120 VanDerWaalsContact O-N 3.1Å
117Y95.8Very high93.1Very high0 Ų030.6 Ų30.60%014%0.137CC..Hα-helixtrans-69.3-46.7177.1176.1-122.4000112F52 I68 L71 C72 F75 N113 Y114 R115 E119 L120 L121 L160F52-Y117 HydrophobicContact CZ-CD2 4.15Å; I68-Y117 HydrophobicContact CG2-CE2 4.44Å; I68-Y117 PolarHBondContact O-OH 3.5Å; L71-Y117 HydrophobicContact CB-CD2 3.95Å; L71-Y117 HydrophobicContact CB-CE1 4.37Å; L71-Y117 HydrophobicContact CB-CE2 3.73Å; L71-Y117 HydrophobicContact CB-CG 4.39Å; L71-Y117 HydrophobicContact CD1-CD2 3.75Å; L71-Y117 HydrophobicContact CD1-CE2 4.15Å; L71-Y117 HydrophobicContact CD1-CG 4.41Å; C72-Y117 WeakPolarHBondContact CB-OH 3.48Å; C72-Y117 PolarHBondContact N-OH 3.43Å; F75-Y117 AromaticContact CD2-CD1 3.33Å; F75-Y117 HydrophobicContact CD2-CD1 3.33Å; F75-Y117 AromaticContact CD2-CE1 3.73Å; F75-Y117 HydrophobicContact CD2-CE1 3.73Å; F75-Y117 HydrophobicContact CD2-CG 4.02Å; F75-Y117 AromaticContact CE2-CD1 3.47Å; F75-Y117 HydrophobicContact CE2-CD1 3.47Å; F75-Y117 VanDerWaalsContact CE2-CD1 3.47Å; F75-Y117 HydrophobicContact CE2-CE1 4.25Å; F75-Y117 AromaticContact CE2-CG 3.67Å; F75-Y117 HydrophobicContact CE2-CG 3.67Å; F75-Y117 HydrophobicContact CG-CD1 4.42Å; N113-Y117 PolarHBondContact O-N 2.92Å; N113-Y117 VanDerWaalsContact O-N 3.08Å; Y114-Y117 HydrophobicContact CD2-CD1 4.46Å; Y114-Y117 WeakPolarHBondContact O-CB 3.3Å; Y114-Y117 PolarHBondContact O-N 3.38Å; Y114-Y117 VanDerWaalsContact O-N 3.1Å; R115-Y117 VanDerWaalsContact C-N 3.26Å; R115-Y117 PolarHBondContact O-N 3.36Å; Y117-E119 PolarHBondContact O-N 2.94Å; Y117-L120 WeakPolarHBondContact O-CB 3.33Å; Y117-L120 PolarHBondContact O-N 2.97Å; Y117-L120 VanDerWaalsContact O-N 3.15Å; Y117-L121 HydrophobicContact CD1-CD1 4.32Å; Y117-L121 HydrophobicContact CD2-CG 4.49Å; Y117-L121 HydrophobicContact CE1-CD1 3.8Å; Y117-L121 HydrophobicContact CE1-CG 4.48Å; Y117-L121 HydrophobicContact CE2-CD1 4.25Å; Y117-L121 HydrophobicContact CE2-CD2 4.08Å; Y117-L121 HydrophobicContact CE2-CG 4.07Å; Y117-L121 PolarHBondContact O-N 3.19Å; Y117-L160 HydrophobicContact CE1-CD1 3.93Å
118T94.9Very high92.6Very high3 Ų337.4 Ų37.42%0.01817%0.166CC..Hα-helixtrans-65-38.5176.958.20000112Y114 R115 L120 L121 R122 L173Y114-T118 HydrophobicContact CD1-CG2 4.05Å; Y114-T118 HydrophobicContact CD2-CG2 4.25Å; Y114-T118 HydrophobicContact CE1-CG2 3.57Å; Y114-T118 HydrophobicContact CE2-CG2 3.82Å; Y114-T118 HydrophobicContact CG-CG2 4.38Å; Y114-T118 VanDerWaalsContact CZ-CG2 3.47Å; Y114-T118 WeakPolarHBondContact O-CG2 3.44Å; Y114-T118 PolarHBondContact O-N 3.46Å; Y114-T118 PolarHBondContact O-OG1 2.89Å; R115-T118 PolarHBondContact O-N 3.23Å; R115-T118 PolarHBondContact O-OG1 3.47Å; T118-L120 VanDerWaalsContact C-N 3.32Å; T118-L120 PolarHBondContact O-N 3.44Å; T118-L121 PolarHBondContact O-N 3Å; T118-R122 WeakPolarHBondContact O-CB 3.48Å; T118-R122 VanDerWaalsContact O-CG 3.23Å; T118-R122 WeakPolarHBondContact O-CG 3.3Å; T118-R122 PolarHBondContact O-N 2.85Å; T118-L173 HydrophobicContact CG2-CD1 4.26Å; T118-L173 HydrophobicContact CG2-CD2 4.22Å; T118-L173 HydrophobicContact CG2-CG 4.48Å
119E94.3Very high92.1Very high31 Ų3137.7 Ų37.715%0.14518%0.176CC..Hα-helixtrans-59.8-41171.7-73.9176174.900111.6R115 Y117 R122 V123 L130 L137R115-E119 HydrophobicContact CG-CG 4.37Å; R115-E119 IonicContact CZ-OE1 3.51Å; R115-E119 VanDerWaalsContact CZ-OE1 3.31Å; R115-E119 IonicContact NE-OE1 3.51Å; R115-E119 PolarHBondContact NE-OE1 3.27Å; R115-E119 IonicContact NH2-OE1 3.37Å; R115-E119 PolarHBondContact NH2-OE1 3.38Å; R115-E119 WeakPolarHBondContact O-CB 3.45Å; R115-E119 VanDerWaalsContact O-CG 3.26Å; R115-E119 WeakPolarHBondContact O-CG 3.43Å; R115-E119 PolarHBondContact O-N 3.44Å; Y117-E119 PolarHBondContact O-N 2.94Å; E119-R122 PolarHBondContact O-N 3.3Å; E119-V123 WeakPolarHBondContact O-CG2 3.35Å; E119-V123 PolarHBondContact O-N 3.2Å; E119-L130 HydrophobicContact CG-CD1 4.27Å; E119-L137 HydrophobicContact CB-CD1 4.44Å; E119-L137 HydrophobicContact CB-CD2 3.86Å
120L93.5Very high91.8Very high0 Ų036.3 Ų36.30%017%0.17CC..Hα-helixtrans-63.1-47.3174.7178.768.2000111.8F52 F57 I68 K116 Y117 T118 R122 V123 I124 Y140 W145F52-L120 HydrophobicContact CD1-CD2 3.73Å; F52-L120 HydrophobicContact CD2-CD2 4.07Å; F52-L120 HydrophobicContact CE1-CD2 3.31Å; F52-L120 HydrophobicContact CE2-CD2 3.72Å; F52-L120 HydrophobicContact CG-CD2 4.07Å; F52-L120 HydrophobicContact CZ-CD2 3.31Å; F57-L120 HydrophobicContact CZ-CD2 4.18Å; I68-L120 HydrophobicContact CG1-CD2 4.47Å; K116-L120 PolarHBondContact O-N 3.29Å; K116-L120 VanDerWaalsContact O-N 3.1Å; Y117-L120 WeakPolarHBondContact O-CB 3.33Å; Y117-L120 PolarHBondContact O-N 2.97Å; Y117-L120 VanDerWaalsContact O-N 3.15Å; T118-L120 VanDerWaalsContact C-N 3.32Å; T118-L120 PolarHBondContact O-N 3.44Å; L120-R122 VanDerWaalsContact C-N 3.27Å; L120-R122 PolarHBondContact O-N 3.07Å; L120-V123 WeakPolarHBondContact O-CB 3.43Å; L120-V123 PolarHBondContact O-N 2.87Å; L120-V123 VanDerWaalsContact O-N 3.11Å; L120-I124 HydrophobicContact CD1-CD1 4.45Å; L120-I124 HydrophobicContact CG-CD1 4.04Å; L120-I124 WeakPolarHBondContact O-CG1 3.32Å; L120-I124 PolarHBondContact O-N 3.5Å; L120-Y140 HydrophobicContact CD1-CD2 3.81Å; L120-Y140 HydrophobicContact CD1-CE2 4.39Å; L120-Y140 HydrophobicContact CD1-CG 4Å; L120-W145 HydrophobicContact CD1-CH2 4.3Å; L120-W145 HydrophobicContact CD1-CZ2 4.24Å
121L96Very high91.3Very high0 Ų040.4 Ų40.40%019%0.192CC..Hα-helixtrans-56.5-44.7176.5-67.7177.4000111I68 Y117 T118 V123 I124 L125 A153 C156 V157 L160I68-L121 HydrophobicContact CG2-CD2 3.81Å; Y117-L121 HydrophobicContact CD1-CD1 4.32Å; Y117-L121 HydrophobicContact CD2-CG 4.49Å; Y117-L121 HydrophobicContact CE1-CD1 3.8Å; Y117-L121 HydrophobicContact CE1-CG 4.48Å; Y117-L121 HydrophobicContact CE2-CD1 4.25Å; Y117-L121 HydrophobicContact CE2-CD2 4.08Å; Y117-L121 HydrophobicContact CE2-CG 4.07Å; Y117-L121 PolarHBondContact O-N 3.19Å; T118-L121 PolarHBondContact O-N 3Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 3.34Å; L121-I124 PolarHBondContact O-N 3.44Å; L121-L125 WeakPolarHBondContact O-CB 3.49Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.38Å; L121-L125 PolarHBondContact O-N 2.88Å; L121-A153 HydrophobicContact CD2-CB 3.94Å; L121-C156 HydrophobicContact CD2-CB 4.29Å; L121-V157 HydrophobicContact CB-CG2 4.24Å; L121-V157 HydrophobicContact CD1-CG2 3.95Å; L121-L160 HydrophobicContact CD1-CD1 4.05Å
122R94.6Very high90.7Very high26 Ų2643 Ų4310%0.09820%0.204CC..Hα-helixtrans-63-36.3176.7-70.2173.270.1-171.25.5112.7T118 E119 L120 L125 K126 D127 L130 L173 V176T118-R122 WeakPolarHBondContact O-CB 3.48Å; T118-R122 VanDerWaalsContact O-CG 3.23Å; T118-R122 WeakPolarHBondContact O-CG 3.3Å; T118-R122 PolarHBondContact O-N 2.85Å; E119-R122 PolarHBondContact O-N 3.3Å; L120-R122 VanDerWaalsContact C-N 3.27Å; L120-R122 PolarHBondContact O-N 3.07Å; R122-L125 CarbonylContact O-C 3.57Å; R122-L125 PolarHBondContact O-N 2.93Å; R122-K126 PolarHBondContact O-N 2.9Å; R122-K126 VanDerWaalsContact O-N 3.13Å; R122-D127 HydrophobicContact CB-CB 3.97Å; R122-D127 HydrophobicContact CG-CB 4.5Å; R122-D127 IonicContact CZ-OD2 3.31Å; R122-D127 IonicContact NE-OD2 2.98Å; R122-D127 PolarHBondContact NE-OD2 3.09Å; R122-D127 IonicContact NH2-OD2 2.76Å; R122-D127 PolarHBondContact NH2-OD2 3.16Å; R122-D127 WeakPolarHBondContact O-CB 3.33Å; R122-D127 PolarHBondContact O-N 3.44Å; R122-L130 HydrophobicContact CB-CD2 3.88Å; R122-L173 HydrophobicContact CG-CD2 4.48Å; R122-V176 HydrophobicContact CG-CG2 4.08Å
123V93.7Very high90.2Very high6 Ų647.1 Ų47.14%0.03622%0.219CC..Hα-helixtrans-64.4-48.5172.9171.10000111.5E119 L120 L121 L125 K126 L130 M132 L137E119-V123 WeakPolarHBondContact O-CG2 3.35Å; E119-V123 PolarHBondContact O-N 3.2Å; L120-V123 WeakPolarHBondContact O-CB 3.43Å; L120-V123 PolarHBondContact O-N 2.87Å; L120-V123 VanDerWaalsContact O-N 3.11Å; L121-V123 VanDerWaalsContact C-N 3.34Å; L121-V123 PolarHBondContact O-N 3.34Å; V123-L125 PolarHBondContact O-N 3.37Å; V123-K126 PolarHBondContact O-N 3.21Å; V123-L130 HydrophobicContact CG2-CD2 3.62Å; V123-M132 HydrophobicContact CG2-CE 4.1Å; V123-L137 HydrophobicContact CG2-CB 4.16Å; V123-L137 HydrophobicContact CG2-CD2 3.73Å; V123-L137 HydrophobicContact CG2-CG 4.43Å
124I93.1Very high89.7Confident0 Ų049 Ų490%023%0.233CC..Hα-helixtrans-57.3-39.9179.2-64.2164.5000110I68 L120 L121 K126 W145 K150 A153I68-I124 HydrophobicContact CD1-CD1 3.44Å; I68-I124 VanDerWaalsContact CD1-CD1 3.44Å; I68-I124 HydrophobicContact CG1-CD1 4.21Å; L120-I124 HydrophobicContact CD1-CD1 4.45Å; L120-I124 HydrophobicContact CG-CD1 4.04Å; L120-I124 WeakPolarHBondContact O-CG1 3.32Å; L120-I124 PolarHBondContact O-N 3.5Å; L121-I124 PolarHBondContact O-N 3.44Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.44Å; I124-W145 HydrophobicContact CB-CD2 4.4Å; I124-W145 HydrophobicContact CD1-CE3 4.3Å; I124-W145 HydrophobicContact CD1-CH2 3.97Å; I124-W145 HydrophobicContact CD1-CZ2 4.41Å; I124-W145 HydrophobicContact CD1-CZ3 3.91Å; I124-W145 HydrophobicContact CG1-CD2 3.8Å; I124-W145 HydrophobicContact CG1-CE3 3.85Å; I124-W145 HydrophobicContact CG1-CH2 3.77Å; I124-W145 HydrophobicContact CG1-CZ2 3.73Å; I124-W145 HydrophobicContact CG1-CZ3 3.83Å; I124-W145 HydrophobicContact CG2-CD2 4.26Å; I124-W145 HydrophobicContact CG2-CE3 4.27Å; I124-W145 HydrophobicContact CG2-CG 4.39Å; I124-K150 HydrophobicContact CG2-CG 4.21Å; I124-A153 HydrophobicContact CB-CB 4.27Å; I124-A153 HydrophobicContact CD1-CB 4.38Å; I124-A153 HydrophobicContact CG2-CB 3.8Å
125L92.7Very high89.2Confident1 Ų153.6 Ų53.61%0.00526%0.263CS..THydrogen-bonded Turntrans-87.49.8-178.7-60.6-179.9000114.5L121 R122 V123 D127 K150 A153 I154 V157 V176 Y180L121-L125 WeakPolarHBondContact O-CB 3.49Å; L121-L125 VanDerWaalsContact O-CG 3.3Å; L121-L125 WeakPolarHBondContact O-CG 3.38Å; L121-L125 PolarHBondContact O-N 2.88Å; R122-L125 CarbonylContact O-C 3.57Å; R122-L125 PolarHBondContact O-N 2.93Å; V123-L125 PolarHBondContact O-N 3.37Å; L125-D127 VanDerWaalsContact C-N 3.3Å; L125-D127 PolarHBondContact O-N 3.03Å; L125-K150 HydrophobicContact CD2-CB 4.45Å; L125-A153 HydrophobicContact CD1-CB 4.41Å; L125-A153 HydrophobicContact CD2-CB 3.97Å; L125-A153 HydrophobicContact CG-CB 4.1Å; L125-I154 HydrophobicContact CD1-CG1 4.26Å; L125-I154 HydrophobicContact CD2-CD1 4.27Å; L125-I154 HydrophobicContact CD2-CG1 3.61Å; L125-V157 HydrophobicContact CD1-CG2 3.97Å; L125-V176 HydrophobicContact CB-CG1 3.41Å; L125-V176 VanDerWaalsContact CB-CG1 3.41Å; L125-V176 HydrophobicContact CD1-CG1 3.78Å; L125-V176 HydrophobicContact CG-CG1 4.23Å; L125-Y180 WeakPolarHBondContact CA-OH 3.47Å; L125-Y180 HydrophobicContact CB-CE2 3.79Å; L125-Y180 HydrophobicContact CD2-CE1 4.28Å; L125-Y180 HydrophobicContact CD2-CE2 3.94Å; L125-Y180 HydrophobicContact CG-CE2 4.34Å; L125-Y180 WeakPolarHBondContact O-CE2 3.46Å; L125-Y180 PolarHBondContact O-OH 3.34Å; L125-Y180 VanDerWaalsContact O-OH 3.08Å
126K88.2Confident88.7Confident138 Ų13854.9 Ų54.960%0.627%0.268SS*.THydrogen-bonded Turntrans51.645.5175.8-58.6-174.9178.3-175.10113.4R122 V123 I124 K128R122-K126 PolarHBondContact O-N 2.9Å; R122-K126 VanDerWaalsContact O-N 3.13Å; V123-K126 PolarHBondContact O-N 3.21Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.44Å; K126-K128 PolarHBondContact O-N 3.49Å
127D85.3Confident88.4Confident17 Ų1751.6 Ų51.69%0.09125%0.254CS..  trans-62.6125.6176.4-176.58.8000111.4R122 L125 C129 L130 V176R122-D127 HydrophobicContact CB-CB 3.97Å; R122-D127 HydrophobicContact CG-CB 4.5Å; R122-D127 IonicContact CZ-OD2 3.31Å; R122-D127 IonicContact NE-OD2 2.98Å; R122-D127 PolarHBondContact NE-OD2 3.09Å; R122-D127 IonicContact NH2-OD2 2.76Å; R122-D127 PolarHBondContact NH2-OD2 3.16Å; R122-D127 WeakPolarHBondContact O-CB 3.33Å; R122-D127 PolarHBondContact O-N 3.44Å; L125-D127 VanDerWaalsContact C-N 3.3Å; L125-D127 PolarHBondContact O-N 3.03Å; D127-C129 WeakPolarHBondContact OD1-CB 3.43Å; D127-C129 PolarHBondContact OD1-N 2.87Å; D127-L130 HydrophobicContact CB-CB 4.26Å; D127-V176 HydrophobicContact CB-CG2 3.86Å
128K81.8Confident87.9Confident166 Ų16656.6 Ų56.672%0.72228%0.275SS*.THydrogen-bonded Turntrans-78-23.6179.3-61.3-178.4-177.7-1770112.7K126 L130K126-K128 PolarHBondContact O-N 3.49Å; K128-L130 VanDerWaalsContact C-N 3.26Å
129C80.8Confident87.6Confident83 Ų8360 Ų6056%0.56129%0.292SS*.THydrogen-bonded Turntrans-80.3-8.2179.2-65.80000112.7D127D127-C129 WeakPolarHBondContact OD1-CB 3.43Å; D127-C129 PolarHBondContact OD1-N 2.87Å
130L85.1Confident87.3Confident16 Ų1659.4 Ų59.48%0.08429%0.289CS..SBendtrans-80.3123.5-176.6-175.562.1000111.5E119 R122 V123 D127 K128 M132 L137E119-L130 HydrophobicContact CG-CD1 4.27Å; R122-L130 HydrophobicContact CB-CD2 3.88Å; V123-L130 HydrophobicContact CG2-CD2 3.62Å; D127-L130 HydrophobicContact CB-CB 4.26Å; K128-L130 VanDerWaalsContact C-N 3.26Å; L130-M132 HydrophobicContact CB-CE 3.79Å; L130-M132 HydrophobicContact CD2-CE 3.36Å; L130-M132 HydrophobicContact CG-CE 3.57Å; L130-M132 PolarHBondContact O-N 2.98Å; L130-M132 VanDerWaalsContact O-N 3.14Å; L130-L137 HydrophobicContact CD1-CD1 4.43Å; L130-L137 HydrophobicContact CD2-CD1 4.34Å; L130-L137 HydrophobicContact CG-CD1 4.45Å
131D83.1Confident87Confident87 Ų8762.3 Ų62.347%0.46531%0.309SS..  trans-70.3108.1175.7-171.2-7.8000111K133D131-K133 PolarHBondContact O-N 3.26Å; D131-K133 WeakPolarHBondContact OD1-CB 3.36Å; D131-K133 WeakPolarHBondContact OD1-CD 3.25Å; D131-K133 WeakPolarHBondContact OD1-CG 3.48Å; D131-K133 PolarHBondContact OD1-N 2.94Å; D131-K133 WeakPolarHBondContact OD2-CD 3.23Å; D131-K133 WeakPolarHBondContact OD2-CE 3.31Å; D131-K133 IonicContact OD2-NZ 2.85Å; D131-K133 PolarHBondContact OD2-NZ 3.36Å
132M82Confident86.6Confident60 Ų6070.9 Ų70.930%0.29635%0.346SS..THydrogen-bonded Turntrans-79.616.4-179.7-68.5-67.7146.300113.8V123 L130 S134 L137 K138V123-M132 HydrophobicContact CG2-CE 4.1Å; L130-M132 HydrophobicContact CB-CE 3.79Å; L130-M132 HydrophobicContact CD2-CE 3.36Å; L130-M132 HydrophobicContact CG-CE 3.57Å; L130-M132 PolarHBondContact O-N 2.98Å; L130-M132 VanDerWaalsContact O-N 3.14Å; M132-S134 VanDerWaalsContact C-N 3.26Å; M132-S134 PolarHBondContact O-N 3.39Å; M132-L137 HydrophobicContact SD-CB 4.1Å; M132-K138 WeakPolarHBondContact O-CE 3.14Å; M132-K138 WeakPolarHBondContact O-CG 3.2Å
133K82Confident86.3Confident161 Ų16171.5 Ų71.570%0.735%0.352SS*.THydrogen-bonded Turntrans-58.1-35.9177.4-84.1170.1-155.4149.10113.5D131D131-K133 PolarHBondContact O-N 3.26Å; D131-K133 WeakPolarHBondContact OD1-CB 3.36Å; D131-K133 WeakPolarHBondContact OD1-CD 3.25Å; D131-K133 WeakPolarHBondContact OD1-CG 3.48Å; D131-K133 PolarHBondContact OD1-N 2.94Å; D131-K133 WeakPolarHBondContact OD2-CD 3.23Å; D131-K133 WeakPolarHBondContact OD2-CE 3.31Å; D131-K133 IonicContact OD2-NZ 2.85Å; D131-K133 PolarHBondContact OD2-NZ 3.36Å
134S83.3Confident86Confident42 Ų4276.4 Ų76.429%0.29438%0.377SS..SBendtrans-72.4130.8-17577.10000111.4M132 R136 L137 K138M132-S134 VanDerWaalsContact C-N 3.26Å; M132-S134 PolarHBondContact O-N 3.39Å; S134-R136 PolarHBondContact O-N 3.34Å; S134-L137 PolarHBondContact O-N 3.01Å; S134-L137 WeakPolarHBondContact OG-CB 3.37Å; S134-L137 WeakPolarHBondContact OG-CD1 3.29Å; S134-L137 WeakPolarHBondContact OG-CG 3.39Å; S134-K138 PolarHBondContact O-N 3.21Å
135P84.6Confident85.8Confident99 Ų9977.2 Ų77.264%0.64338%0.381SS*.Hα-helixtrans-63-28.6-176.423.7-33.4000112.4K138 I139P135-K138 PolarHBondContact O-N 2.87Å; P135-I139 WeakPolarHBondContact O-CG1 3.3Å; P135-I139 PolarHBondContact O-N 3.42Å
136R85.1Confident85.7Confident141 Ų14179.4 Ų79.453%0.53239%0.392SS..Hα-helixtrans-63.6-48.7176.5-67178.8171.2115.4-3112.2E53 S134 K138 I139 Y140E53-R136 IonicContact OE1-CZ 3.81Å; E53-R136 IonicContact OE1-NE 2.68Å; E53-R136 PolarHBondContact OE1-NE 2.96Å; E53-R136 IonicContact OE1-NH2 2.78Å; E53-R136 PolarHBondContact OE1-NH2 2.93Å; S134-R136 PolarHBondContact O-N 3.34Å; R136-K138 VanDerWaalsContact C-N 3.26Å; R136-K138 PolarHBondContact O-N 3.24Å; R136-I139 WeakPolarHBondContact O-CB 3.02Å; R136-I139 PolarHBondContact O-N 2.84Å; R136-Y140 HydrophobicContact CB-CE2 4.34Å; R136-Y140 PolarHBondContact O-N 2.87Å; R136-Y140 VanDerWaalsContact O-N 3.14Å
137L86.5Confident85.7Confident7 Ų777.2 Ų77.24%0.03738%0.384CS..Hα-helixtrans-64.6-33.9-179.8-62.9174.7000111.3E119 V123 L130 M132 S134 I139 Y140 S141E119-L137 HydrophobicContact CB-CD1 4.44Å; E119-L137 HydrophobicContact CB-CD2 3.86Å; V123-L137 HydrophobicContact CG2-CB 4.16Å; V123-L137 HydrophobicContact CG2-CD2 3.73Å; V123-L137 HydrophobicContact CG2-CG 4.43Å; L130-L137 HydrophobicContact CD1-CD1 4.43Å; L130-L137 HydrophobicContact CD2-CD1 4.34Å; L130-L137 HydrophobicContact CG-CD1 4.45Å; M132-L137 HydrophobicContact SD-CB 4.1Å; S134-L137 PolarHBondContact O-N 3.01Å; S134-L137 WeakPolarHBondContact OG-CB 3.37Å; S134-L137 WeakPolarHBondContact OG-CD1 3.29Å; S134-L137 WeakPolarHBondContact OG-CG 3.39Å; L137-I139 VanDerWaalsContact C-N 3.27Å; L137-I139 PolarHBondContact O-N 3.34Å; L137-Y140 HydrophobicContact CD2-CD2 4.16Å; L137-Y140 PolarHBondContact O-N 3.22Å; L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 3.16Å; L137-S141 PolarHBondContact O-OG 3.34Å
138K86.3Confident85.9Confident105 Ų10581.9 Ų81.946%0.45741%0.409SS..Hα-helixtrans-62.8-30.7172.2-63-176.1-173.9-177.90113.4M132 S134 P135 R136 S141 K142M132-K138 WeakPolarHBondContact O-CE 3.14Å; M132-K138 WeakPolarHBondContact O-CG 3.2Å; S134-K138 PolarHBondContact O-N 3.21Å; P135-K138 PolarHBondContact O-N 2.87Å; R136-K138 VanDerWaalsContact C-N 3.26Å; R136-K138 PolarHBondContact O-N 3.24Å; K138-S141 WeakPolarHBondContact CA-OG 3.46Å; K138-S141 PolarHBondContact O-OG 3.42Å; K138-K142 WeakPolarHBondContact O-CD 3.41Å; K138-K142 VanDerWaalsContact O-CG 3.24Å; K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 3.07Å
139I87.2Confident86.3Confident73 Ų7374.1 Ų74.137%0.37438%0.375SS..Hα-helixtrans-73-44.5175.6-65.9164.5000109.5P135 R136 L137 S141 K142P135-I139 WeakPolarHBondContact O-CG1 3.3Å; P135-I139 PolarHBondContact O-N 3.42Å; R136-I139 WeakPolarHBondContact O-CB 3.02Å; R136-I139 PolarHBondContact O-N 2.84Å; L137-I139 VanDerWaalsContact C-N 3.27Å; L137-I139 PolarHBondContact O-N 3.34Å; I139-S141 VanDerWaalsContact C-N 3.35Å; I139-S141 PolarHBondContact O-N 3.35Å; I139-K142 PolarHBondContact O-N 3.47Å
140Y88.4Confident86.9Confident20 Ų2071.6 Ų71.68%0.07836%0.355CS..Hα-helixtrans-66.3-36.2179.5-55.4-28.7000112.4F52 L120 R136 L137 K142 L143 W145F52-Y140 HydrophobicContact CB-CE1 4.36Å; F52-Y140 WeakPolarHBondContact CB-OH 3.48Å; F52-Y140 WeakPolarHBondContact O-CE1 3.4Å; L120-Y140 HydrophobicContact CD1-CD2 3.81Å; L120-Y140 HydrophobicContact CD1-CE2 4.39Å; L120-Y140 HydrophobicContact CD1-CG 4Å; R136-Y140 HydrophobicContact CB-CE2 4.34Å; R136-Y140 PolarHBondContact O-N 2.87Å; R136-Y140 VanDerWaalsContact O-N 3.14Å; L137-Y140 HydrophobicContact CD2-CD2 4.16Å; L137-Y140 PolarHBondContact O-N 3.22Å; Y140-K142 VanDerWaalsContact C-N 3.31Å; Y140-K142 PolarHBondContact O-N 2.86Å; Y140-L143 VanDerWaalsContact O-CB 3.29Å; Y140-L143 WeakPolarHBondContact O-CB 3.19Å; Y140-L143 PolarHBondContact O-N 3.09Å; Y140-W145 PolarHBondContact O-NE1 2.94Å
141S87.1Confident87.2Confident60 Ų6071.9 Ų71.942%0.4236%0.356SS..Hα-helixtrans-71.1-25178.566.60000113.6L137 K138 I139 L143L137-S141 WeakPolarHBondContact O-CB 3.49Å; L137-S141 PolarHBondContact O-N 3.16Å; L137-S141 PolarHBondContact O-OG 3.34Å; K138-S141 WeakPolarHBondContact CA-OG 3.46Å; K138-S141 PolarHBondContact O-OG 3.42Å; I139-S141 VanDerWaalsContact C-N 3.35Å; I139-S141 PolarHBondContact O-N 3.35Å; S141-L143 VanDerWaalsContact C-N 3.25Å; S141-L143 PolarHBondContact O-N 3.19Å
142K87.7Confident87.7Confident180 Ų18068.8 Ų68.878%0.78334%0.343SS*.THydrogen-bonded Turntrans-75.6-12.4173.4-74.4175-177.1-171.10113.4K138 I139 Y140K138-K142 WeakPolarHBondContact O-CD 3.41Å; K138-K142 VanDerWaalsContact O-CG 3.24Å; K138-K142 WeakPolarHBondContact O-CG 3.45Å; K138-K142 PolarHBondContact O-N 3.07Å; I139-K142 PolarHBondContact O-N 3.47Å; Y140-K142 VanDerWaalsContact C-N 3.31Å; Y140-K142 PolarHBondContact O-N 2.86Å
143L88.1Confident88.3Confident40 Ų4066 Ų6621%0.20933%0.329CS..SBendtrans-74.7142-180-161.659.2000110.4R64 Y140 S141 W145R64-L143 VanDerWaalsContact CZ-CD2 3.41Å; Y140-L143 VanDerWaalsContact O-CB 3.29Å; Y140-L143 WeakPolarHBondContact O-CB 3.19Å; Y140-L143 PolarHBondContact O-N 3.09Å; S141-L143 VanDerWaalsContact C-N 3.25Å; S141-L143 PolarHBondContact O-N 3.19Å; L143-W145 HydrophobicContact CB-CZ2 4.31Å; L143-W145 HydrophobicContact CD2-CH2 3.98Å; L143-W145 HydrophobicContact CD2-CZ2 3.79Å; L143-W145 HydrophobicContact CD2-CZ3 4.49Å; L143-W145 PolarHBondContact O-N 3.42Å
144D87.3Confident89Confident108 Ų10858.4 Ų58.458%0.57830%0.297SS*.  trans-78.9101.6174.4-178.739.7000110.1R61 R64R61-D144 IonicContact NH2-OD2 2.76Å; R61-D144 PolarHBondContact NH2-OD2 3.16Å; R64-D144 PolarHBondContact NH1-O 2.97Å
145W90.2Very high89.6Confident17 Ų1761.7 Ų61.76%0.06430%0.303CS..  trans-91.3119.1178.4-62.1102.6000110.6F57 R64 I68 L120 I124 Y140 L143 E149 K150F57-W145 HydrophobicContact CE1-CH2 4.09Å; F57-W145 HydrophobicContact CZ-CH2 4.02Å; R64-W145 HydrophobicContact CB-CZ3 4.18Å; R64-W145 HydrophobicContact CG-CZ3 4.44Å; I68-W145 HydrophobicContact CD1-CZ3 4.29Å; L120-W145 HydrophobicContact CD1-CH2 4.3Å; L120-W145 HydrophobicContact CD1-CZ2 4.24Å; I124-W145 HydrophobicContact CB-CD2 4.4Å; I124-W145 HydrophobicContact CD1-CE3 4.3Å; I124-W145 HydrophobicContact CD1-CH2 3.97Å; I124-W145 HydrophobicContact CD1-CZ2 4.41Å; I124-W145 HydrophobicContact CD1-CZ3 3.91Å; I124-W145 HydrophobicContact CG1-CD2 3.8Å; I124-W145 HydrophobicContact CG1-CE3 3.85Å; I124-W145 HydrophobicContact CG1-CH2 3.77Å; I124-W145 HydrophobicContact CG1-CZ2 3.73Å; I124-W145 HydrophobicContact CG1-CZ3 3.83Å; I124-W145 HydrophobicContact CG2-CD2 4.26Å; I124-W145 HydrophobicContact CG2-CE3 4.27Å; I124-W145 HydrophobicContact CG2-CG 4.39Å; Y140-W145 PolarHBondContact O-NE1 2.94Å; L143-W145 HydrophobicContact CB-CZ2 4.31Å; L143-W145 HydrophobicContact CD2-CH2 3.98Å; L143-W145 HydrophobicContact CD2-CZ2 3.79Å; L143-W145 HydrophobicContact CD2-CZ3 4.49Å; L143-W145 PolarHBondContact O-N 3.42Å; W145-E149 WeakPolarHBondContact CA-OE2 3.43Å; W145-E149 HydrophobicContact CE3-CB 4.12Å; W145-E149 HydrophobicContact CE3-CG 4.38Å; W145-K150 VanDerWaalsContact O-CE 3.3Å; W145-K150 WeakPolarHBondContact O-CE 3.47Å
146N89.8Confident90.2Very high47 Ų4757.3 Ų57.325%0.25127%0.274SS..  trans-78.7176.7-179.579.8-14000112.1D148 E149 K150N146-D148 PolarHBondContact ND2-OD2 3.09Å; N146-D148 PolarHBondContact OD1-N 2.88Å; N146-E149 PolarHBondContact N-OE2 3.4Å; N146-E149 WeakPolarHBondContact OD1-CA 3.05Å; N146-E149 WeakPolarHBondContact OD1-CB 2.92Å; N146-E149 WeakPolarHBondContact OD1-CG 3.42Å; N146-E149 PolarHBondContact OD1-N 3.48Å; N146-E149 PolarHBondContact OD1-OE2 3Å; N146-K150 WeakPolarHBondContact O-CG 2.94Å; N146-K150 PolarHBondContact O-N 2.75Å
147E88Confident90.7Very high92 Ų9250.7 Ų50.743%0.4325%0.249SC..Hα-helixtrans-69.5-33.6179.9-65.3-58.1125.900113K150 L151 K185E147-K150 PolarHBondContact O-N 3.43Å; E147-K150 IonicContact OE1-NZ 3.31Å; E147-K150 PolarHBondContact OE1-NZ 2.86Å; E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 PolarHBondContact O-N 3.4Å; E147-K185 VanDerWaalsContact CD-NZ 3.27Å; E147-K185 IonicContact OE2-NZ 2.68Å; E147-K185 PolarHBondContact OE2-NZ 3.4Å
148D89Confident91.2Very high115 Ų11550.4 Ų50.462%0.61525%0.248SC*.Hα-helixtrans-68.6-39.9178.1-55.7-39.3000112.1N146 L151 A152N146-D148 PolarHBondContact ND2-OD2 3.09Å; N146-D148 PolarHBondContact OD1-N 2.88Å; D148-L151 PolarHBondContact O-N 2.89Å; D148-A152 VanDerWaalsContact O-CB 3.31Å; D148-A152 WeakPolarHBondContact O-CB 3.41Å; D148-A152 PolarHBondContact O-N 2.93Å
149E91.6Very high91.6Very high3 Ų349.1 Ų49.11%0.01424%0.243CC..Hα-helixtrans-65.5-39.8175.3-74.2167.7149.400110.4R64 W145 N146 A152 A153R64-E149 WeakPolarHBondContact CD-OE1 3.05Å; R64-E149 IonicContact CZ-OE1 3.21Å; R64-E149 IonicContact NE-OE1 3.4Å; R64-E149 IonicContact NH1-OE1 3.53Å; R64-E149 PolarHBondContact NH1-OE1 3.24Å; R64-E149 VanDerWaalsContact NH1-OE1 3.13Å; R64-E149 IonicContact NH1-OE2 3.33Å; R64-E149 PolarHBondContact NH1-OE2 3.09Å; W145-E149 WeakPolarHBondContact CA-OE2 3.43Å; W145-E149 HydrophobicContact CE3-CB 4.12Å; W145-E149 HydrophobicContact CE3-CG 4.38Å; N146-E149 PolarHBondContact N-OE2 3.4Å; N146-E149 WeakPolarHBondContact OD1-CA 3.05Å; N146-E149 WeakPolarHBondContact OD1-CB 2.92Å; N146-E149 WeakPolarHBondContact OD1-CG 3.42Å; N146-E149 PolarHBondContact OD1-N 3.48Å; N146-E149 PolarHBondContact OD1-OE2 3Å; E149-A152 PolarHBondContact O-N 2.96Å; E149-A153 WeakPolarHBondContact O-CB 3.26Å; E149-A153 PolarHBondContact O-N 2.95Å
150K92Very high92.1Very high31 Ų3145.7 Ų45.714%0.13523%0.226CC..Hα-helixtrans-64.8-45.8172.8-69.9171.2-161.9162.90111.4I124 L125 W145 N146 E147 A152 A153 I154I124-K150 HydrophobicContact CG2-CG 4.21Å; L125-K150 HydrophobicContact CD2-CB 4.45Å; W145-K150 VanDerWaalsContact O-CE 3.3Å; W145-K150 WeakPolarHBondContact O-CE 3.47Å; N146-K150 WeakPolarHBondContact O-CG 2.94Å; N146-K150 PolarHBondContact O-N 2.75Å; E147-K150 PolarHBondContact O-N 3.43Å; E147-K150 IonicContact OE1-NZ 3.31Å; E147-K150 PolarHBondContact OE1-NZ 2.86Å; K150-A152 VanDerWaalsContact C-N 3.32Å; K150-A152 PolarHBondContact O-N 3.3Å; K150-A153 PolarHBondContact O-N 2.86Å; K150-I154 WeakPolarHBondContact O-CG1 3.16Å; K150-I154 PolarHBondContact O-N 3.3Å
151L92.1Very high92.4Very high21 Ų2144.9 Ų44.911%0.1122%0.223CC..Hα-helixtrans-62-41.5177.4179.262.9000111.4E147 D148 I154 R155 V188E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 PolarHBondContact O-N 3.4Å; D148-L151 PolarHBondContact O-N 2.89Å; L151-I154 PolarHBondContact O-N 2.83Å; L151-R155 WeakPolarHBondContact O-CG 3.07Å; L151-R155 PolarHBondContact O-N 2.91Å; L151-V188 HydrophobicContact CD1-CG2 4.05Å
152A93Very high92.7Very high23 Ų2345.3 Ų45.319%0.1922%0.218CC..Hα-helixtrans-61-45.9173.500000111.2D148 E149 K150 I154 R155 C156D148-A152 VanDerWaalsContact O-CB 3.31Å; D148-A152 WeakPolarHBondContact O-CB 3.41Å; D148-A152 PolarHBondContact O-N 2.93Å; E149-A152 PolarHBondContact O-N 2.96Å; K150-A152 VanDerWaalsContact C-N 3.32Å; K150-A152 PolarHBondContact O-N 3.3Å; A152-I154 PolarHBondContact O-N 2.92Å; A152-R155 PolarHBondContact O-N 3.05Å; A152-C156 PolarHBondContact O-N 3.26Å; A152-C156 PolarHBondContact O-SG 3.2Å
153A95.5Very high93Very high0 Ų039.9 Ų39.90%020%0.198CC..Hα-helixtrans-61-41.6176.200000112.3L121 I124 L125 E149 K150 C156 V157L121-A153 HydrophobicContact CD2-CB 3.94Å; I124-A153 HydrophobicContact CB-CB 4.27Å; I124-A153 HydrophobicContact CD1-CB 4.38Å; I124-A153 HydrophobicContact CG2-CB 3.8Å; L125-A153 HydrophobicContact CD1-CB 4.41Å; L125-A153 HydrophobicContact CD2-CB 3.97Å; L125-A153 HydrophobicContact CG-CB 4.1Å; E149-A153 WeakPolarHBondContact O-CB 3.26Å; E149-A153 PolarHBondContact O-N 2.95Å; K150-A153 PolarHBondContact O-N 2.86Å; A153-C156 PolarHBondContact O-N 3.41Å; A153-V157 WeakPolarHBondContact O-CG2 3.08Å; A153-V157 PolarHBondContact O-N 3.2Å
154I95.5Very high93.2Very high3 Ų339.2 Ų39.22%0.01519%0.194CC..Hα-helixtrans-61.6-48.1175.1-66.7169.7000110.6L125 K150 L151 A152 C156 V157 C158 Y180 V188 I192L125-I154 HydrophobicContact CD1-CG1 4.26Å; L125-I154 HydrophobicContact CD2-CD1 4.27Å; L125-I154 HydrophobicContact CD2-CG1 3.61Å; K150-I154 WeakPolarHBondContact O-CG1 3.16Å; K150-I154 PolarHBondContact O-N 3.3Å; L151-I154 PolarHBondContact O-N 2.83Å; A152-I154 PolarHBondContact O-N 2.92Å; I154-C156 VanDerWaalsContact C-N 3.26Å; I154-C156 PolarHBondContact O-N 3.33Å; I154-V157 PolarHBondContact O-N 3.44Å; I154-C158 WeakPolarHBondContact O-CB 3.44Å; I154-C158 PolarHBondContact O-N 3.38Å; I154-C158 PolarHBondContact O-SG 3.32Å; I154-C158 VanDerWaalsContact O-SG 3.37Å; I154-Y180 HydrophobicContact CD1-CD1 3.4Å; I154-Y180 VanDerWaalsContact CD1-CD1 3.4Å; I154-Y180 HydrophobicContact CD1-CD2 4.45Å; I154-Y180 HydrophobicContact CD1-CE1 3.87Å; I154-Y180 HydrophobicContact CD1-CG 3.72Å; I154-Y180 HydrophobicContact CG1-CD1 4.43Å; I154-Y180 HydrophobicContact CG1-CG 4.44Å; I154-V188 HydrophobicContact CD1-CG1 3.46Å; I154-V188 VanDerWaalsContact CD1-CG1 3.46Å; I154-V188 HydrophobicContact CD1-CG2 4.43Å; I154-I192 HydrophobicContact CG2-CD1 4.06Å; I154-I192 HydrophobicContact CG2-CG1 3.77Å
155R96Very high93.4Very high111 Ų11135.7 Ų35.742%0.41918%0.177SC..Hα-helixtrans-57.5-41.5176-75.2176.1175.1165.5-0.5111.6L151 A152 C158 Q159 V191L151-R155 WeakPolarHBondContact O-CG 3.07Å; L151-R155 PolarHBondContact O-N 2.91Å; A152-R155 PolarHBondContact O-N 3.05Å; R155-C158 PolarHBondContact O-N 3.42Å; R155-Q159 WeakPolarHBondContact O-CB 3.48Å; R155-Q159 VanDerWaalsContact O-CG 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.49Å; R155-Q159 PolarHBondContact O-N 2.75Å; R155-V191 HydrophobicContact CG-CG1 4.15Å
156C97Very high93.3Very high6 Ų639.7 Ų39.74%0.04120%0.199CC..Hα-helixtrans-64.6-45.2176.5-67.90000112.1C72 L121 A152 A153 I154 C158 Q159 L160C72-C156 HydrophobicContact CB-CB 3.91Å; C72-C156 WeakPolarHBondContact CB-SG 3.43Å; C72-C156 WeakPolarHBondContact SG-CA 3.28Å; C72-C156 VanDerWaalsContact SG-CB 3.57Å; L121-C156 HydrophobicContact CD2-CB 4.29Å; A152-C156 PolarHBondContact O-N 3.26Å; A152-C156 PolarHBondContact O-SG 3.2Å; A153-C156 PolarHBondContact O-N 3.41Å; I154-C156 VanDerWaalsContact C-N 3.26Å; I154-C156 PolarHBondContact O-N 3.33Å; C156-C158 VanDerWaalsContact C-N 3.35Å; C156-C158 PolarHBondContact O-N 3.34Å; C156-Q159 PolarHBondContact O-N 3.28Å; C156-L160 VanDerWaalsContact O-CG 3.25Å; C156-L160 WeakPolarHBondContact O-CG 3.48Å; C156-L160 PolarHBondContact O-N 2.99Å
157V96.8Very high93.5Very high2 Ų237.7 Ų37.71%0.01219%0.188CC..Hα-helixtrans-59.3-47.6175.1171.50000110.9L121 L125 A153 I154 Q159 L160 L161 L173 L177L121-V157 HydrophobicContact CB-CG2 4.24Å; L121-V157 HydrophobicContact CD1-CG2 3.95Å; L125-V157 HydrophobicContact CD1-CG2 3.97Å; A153-V157 WeakPolarHBondContact O-CG2 3.08Å; A153-V157 PolarHBondContact O-N 3.2Å; I154-V157 PolarHBondContact O-N 3.44Å; V157-Q159 PolarHBondContact O-N 3.06Å; V157-L160 PolarHBondContact O-N 3.14Å; V157-L161 HydrophobicContact CG1-CD1 3.9Å; V157-L161 HydrophobicContact CG1-CG 4.46Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 3.36Å; V157-L173 HydrophobicContact CG1-CB 3.99Å; V157-L173 HydrophobicContact CG1-CD2 4.46Å; V157-L173 HydrophobicContact CG2-CD2 4.12Å; V157-L177 HydrophobicContact CG1-CD2 3.95Å; V157-L177 HydrophobicContact CG1-CG 4.44Å
158C96.2Very high93.8Very high2 Ų233.9 Ų33.91%0.01417%0.171CC..Hα-helixtrans-57.1-49.5177.1-77.80000112.1I154 R155 C156 L160 L161 E162 T195I154-C158 WeakPolarHBondContact O-CB 3.44Å; I154-C158 PolarHBondContact O-N 3.38Å; I154-C158 PolarHBondContact O-SG 3.32Å; I154-C158 VanDerWaalsContact O-SG 3.37Å; R155-C158 PolarHBondContact O-N 3.42Å; C156-C158 VanDerWaalsContact C-N 3.35Å; C156-C158 PolarHBondContact O-N 3.34Å; C158-L160 PolarHBondContact O-N 2.91Å; C158-L161 PolarHBondContact O-N 3.19Å; C158-E162 WeakPolarHBondContact O-CB 3.31Å; C158-E162 PolarHBondContact O-N 3.38Å; C158-T195 HydrophobicContact CB-CG2 3.72Å; C158-T195 WeakPolarHBondContact CB-OG1 3.46Å; C158-T195 WeakPolarHBondContact O-CG2 3.3Å
159Q96Very high94Very high77 Ų7730.7 Ų30.736%0.3615%0.151SC..Hα-helixtrans-63.1-38.7178.5-75.1178.9-300112.7R155 C156 V157 N163R155-Q159 WeakPolarHBondContact O-CB 3.48Å; R155-Q159 VanDerWaalsContact O-CG 3.3Å; R155-Q159 WeakPolarHBondContact O-CG 3.49Å; R155-Q159 PolarHBondContact O-N 2.75Å; C156-Q159 PolarHBondContact O-N 3.28Å; V157-Q159 PolarHBondContact O-N 3.06Å; Q159-N163 PolarHBondContact O-N 3.03Å; Q159-N163 PolarHBondContact O-ND2 2.93Å
160L96.4Very high94.1Very high1 Ų131.1 Ų31.11%0.00515%0.154CC..Hα-helixtrans-64.8-42.9176.6-70.1169.6000111.6F75 L79 Y114 Y117 L121 C156 V157 C158 N163 H164 L173F75-L160 HydrophobicContact CB-CD2 3.96Å; L79-L160 HydrophobicContact CD1-CD2 4.41Å; Y114-L160 HydrophobicContact CE2-CD1 4.26Å; Y114-L160 HydrophobicContact CE2-CD2 4.23Å; Y117-L160 HydrophobicContact CE1-CD1 3.93Å; L121-L160 HydrophobicContact CD1-CD1 4.05Å; C156-L160 VanDerWaalsContact O-CG 3.25Å; C156-L160 WeakPolarHBondContact O-CG 3.48Å; C156-L160 PolarHBondContact O-N 2.99Å; V157-L160 PolarHBondContact O-N 3.14Å; C158-L160 PolarHBondContact O-N 2.91Å; L160-N163 PolarHBondContact O-N 3.15Å; L160-H164 WeakPolarHBondContact O-CA 3.11Å; L160-H164 PolarHBondContact O-N 3.38Å; L160-L173 HydrophobicContact CB-CD1 4.43Å; L160-L173 HydrophobicContact CD1-CD1 4.26Å
161L95.8Very high94.2Very high4 Ų435 Ų352%0.02117%0.171CC..Hα-helixtrans-69.3-34.5179.5-69.9173.3000112.7V157 C158 P165 L173 I174 L177 I199V157-L161 HydrophobicContact CG1-CD1 3.9Å; V157-L161 HydrophobicContact CG1-CG 4.46Å; V157-L161 WeakPolarHBondContact O-CG 3.38Å; V157-L161 PolarHBondContact O-N 3.36Å; C158-L161 PolarHBondContact O-N 3.19Å; L161-P165 WeakPolarHBondContact O-CA 3.44Å; L161-P165 WeakPolarHBondContact O-CB 3.43Å; L161-P165 WeakPolarHBondContact O-CD 3.49Å; L161-L173 HydrophobicContact CD1-CB 4.36Å; L161-L173 HydrophobicContact CD2-CB 4.14Å; L161-L173 HydrophobicContact CG-CB 4.4Å; L161-I174 HydrophobicContact CD1-CG1 3.87Å; L161-I174 HydrophobicContact CD2-CD1 4.26Å; L161-I174 HydrophobicContact CD2-CG1 3.86Å; L161-L177 HydrophobicContact CD1-CD1 3.73Å; L161-I199 HydrophobicContact CB-CD1 3.83Å
162E93.5Very high94.2Very high69 Ų6936.6 Ų36.632%0.32218%0.178SC..Hα-helixtrans-67.2-36.1177.7-171.2173.6-166.300112.5C158 T195 N198C158-E162 WeakPolarHBondContact O-CB 3.31Å; C158-E162 PolarHBondContact O-N 3.38Å; E162-T195 HydrophobicContact CB-CG2 4.24Å; E162-N198 HydrophobicContact CG-CB 4.41Å; E162-N198 PolarHBondContact OE1-ND2 3.35Å
163N92.9Very high94.4Very high65 Ų6535.6 Ų35.635%0.34817%0.169SC..Hα-helixtrans-92.7-33-177.8-66.3-85.2000113.1K76 Q159 L160K76-N163 WeakPolarHBondContact CE-ND2 3.22Å; K76-N163 VanDerWaalsContact CE-OD1 3.25Å; K76-N163 WeakPolarHBondContact CE-OD1 3.46Å; K76-N163 HydrophobicContact CG-CB 4.17Å; Q159-N163 PolarHBondContact O-N 3.03Å; Q159-N163 PolarHBondContact O-ND2 2.93Å; L160-N163 PolarHBondContact O-N 3.15Å
164H93.5Very high94.4Very high26 Ų2635.9 Ų35.912%0.1217%0.17CC..  trans-135.662.7-173.1-63.7-73.4000112.2K76 L79 L160 D166 F167K76-H164 PolarHBondContact O-NE2 2.82Å; L79-H164 HydrophobicContact CD1-CB 4.47Å; L79-H164 PolarHBondContact O-CE1 3.09Å; L160-H164 WeakPolarHBondContact O-CA 3.11Å; L160-H164 PolarHBondContact O-N 3.38Å; H164-D166 PolarHBondContact O-N 3.35Å; H164-F167 HydrophobicContact CB-CB 3.93Å; H164-F167 PolarHBondContact O-N 2.95Å
165P90.7Very high94.3Very high35 Ų3539.1 Ų39.123%0.22719%0.186CC..THydrogen-bonded Turntrans-67.1-31.7-172.726.4-35.2000114L161 S170 V208L161-P165 WeakPolarHBondContact O-CA 3.44Å; L161-P165 WeakPolarHBondContact O-CB 3.43Å; L161-P165 WeakPolarHBondContact O-CD 3.49Å; P165-S170 WeakPolarHBondContact O-CB 3.43Å; P165-S170 PolarHBondContact O-OG 3.05Å; P165-V208 HydrophobicContact CB-CB 4.47Å; P165-V208 HydrophobicContact CB-CG1 3.91Å; P165-V208 HydrophobicContact CB-CG2 3.89Å
166D88.1Confident94.1Very high100 Ų10034 Ų3454%0.53517%0.167SC..THydrogen-bonded Turntrans-94.9-2.2-176.9-68.6-51.9000114.3H164 V208H164-D166 PolarHBondContact O-N 3.35Å; D166-V208 WeakPolarHBondContact OD1-CG2 3.21Å
167F94.5Very high94Very high5 Ų534.1 Ų34.12%0.02217%0.167CC..SBendtrans-67.7165.5-178.7-167.6-103.7000112L79 Y82 I84 L111 Y114 H164 S170L79-F167 HydrophobicContact CD1-CD1 4.01Å; L79-F167 HydrophobicContact CD1-CE1 4.26Å; L79-F167 HydrophobicContact CD2-CD1 3.96Å; L79-F167 HydrophobicContact CD2-CE1 3.39Å; L79-F167 HydrophobicContact CD2-CE2 4.25Å; L79-F167 HydrophobicContact CD2-CZ 3.56Å; L79-F167 HydrophobicContact CG-CD1 4.49Å; L79-F167 HydrophobicContact CG-CE1 4.36Å; Y82-F167 WeakPolarHBondContact O-CD2 3.5Å; I84-F167 HydrophobicContact CD1-CE2 4.02Å; I84-F167 HydrophobicContact CD1-CZ 3.86Å; I84-F167 HydrophobicContact CG1-CE2 3.98Å; I84-F167 HydrophobicContact CG1-CZ 4.23Å; L111-F167 HydrophobicContact CD1-CE1 4.39Å; L111-F167 HydrophobicContact CD1-CZ 4.34Å; Y114-F167 HydrophobicContact CD1-CD1 4.07Å; Y114-F167 AromaticContact CD1-CE1 3.6Å; Y114-F167 HydrophobicContact CD1-CE1 3.6Å; Y114-F167 AromaticContact CE1-CD1 3.67Å; Y114-F167 HydrophobicContact CE1-CD1 3.67Å; Y114-F167 AromaticContact CE1-CE1 3.72Å; Y114-F167 HydrophobicContact CE1-CE1 3.72Å; Y114-F167 HydrophobicContact CG-CE1 4.26Å; H164-F167 HydrophobicContact CB-CB 3.93Å; H164-F167 PolarHBondContact O-N 2.95Å; F167-S170 WeakPolarHBondContact O-CB 3.47Å; F167-S170 PolarHBondContact O-N 3.04Å; F167-S170 PolarHBondContact O-OG 3.42Å
168N93.3Very high93.9Very high13 Ų1334.2 Ų34.27%0.0717%0.167CC..THydrogen-bonded Turntrans-52.9145.1177.3-60.578.3000111.3R83 I84 L111 Y114 S170R83-N168 WeakPolarHBondContact CG-OD1 3.28Å; I84-N168 PolarHBondContact N-OD1 3.49Å; I84-N168 PolarHBondContact O-ND2 2.91Å; L111-N168 HydrophobicContact CD1-CB 3.52Å; Y114-N168 WeakPolarHBondContact CE1-O 3.04Å; N168-S170 PolarHBondContact O-N 3.01Å
169Y93.6Very high93.7Very high48 Ų4836.9 Ų36.919%0.18818%0.18CC..THydrogen-bonded Turntrans66.14.3179.7-44.4-70.8000117.4L111 Y114 R115 K171 E172 L173L111-Y169 HydrophobicContact CD1-CD2 4.36Å; L111-Y169 HydrophobicContact CD1-CE2 3.58Å; L111-Y169 HydrophobicContact CG-CE2 4.22Å; Y114-Y169 AromaticContact CD1-CD2 3.73Å; Y114-Y169 HydrophobicContact CD1-CD2 3.73Å; Y114-Y169 HydrophobicContact CD1-CE2 4.27Å; Y114-Y169 AromaticContact CE1-CD2 3.89Å; Y114-Y169 HydrophobicContact CE1-CD2 3.89Å; R115-Y169 HydrophobicContact CB-CE2 3.73Å; R115-Y169 WeakPolarHBondContact CD-OH 3.46Å; R115-Y169 HydrophobicContact CG-CE1 4.17Å; R115-Y169 HydrophobicContact CG-CE2 4.2Å; Y169-K171 VanDerWaalsContact C-N 3.31Å; Y169-K171 PolarHBondContact O-N 2.9Å; Y169-E172 VanDerWaalsContact C-OE2 3.27Å; Y169-E172 WeakPolarHBondContact CA-OE2 3.42Å; Y169-E172 PolarHBondContact O-N 2.98Å; Y169-L173 WeakPolarHBondContact O-CG 3.28Å; Y169-L173 PolarHBondContact O-N 3.3Å; Y169-L173 VanDerWaalsContact O-N 3.11Å
170S94Very high93.5Very high11 Ų1134.1 Ų34.18%0.07717%0.166CC..Hα-helixtrans-61-38.217964.90000112.9P165 F167 N168 E172 L173 I174P165-S170 WeakPolarHBondContact O-CB 3.43Å; P165-S170 PolarHBondContact O-OG 3.05Å; F167-S170 WeakPolarHBondContact O-CB 3.47Å; F167-S170 PolarHBondContact O-N 3.04Å; F167-S170 PolarHBondContact O-OG 3.42Å; N168-S170 PolarHBondContact O-N 3.01Å; S170-E172 VanDerWaalsContact C-N 3.33Å; S170-E172 PolarHBondContact O-N 3.36Å; S170-L173 WeakPolarHBondContact O-CB 3.45Å; S170-L173 PolarHBondContact O-N 3.09Å; S170-I174 WeakPolarHBondContact O-CD1 3.43Å; S170-I174 VanDerWaalsContact O-CG1 3.25Å; S170-I174 WeakPolarHBondContact O-CG1 3.4Å; S170-I174 PolarHBondContact O-N 3.27Å
171K93.4Very high93.2Very high112 Ų11234.1 Ų34.149%0.48717%0.166SC..Hα-helixtrans-60.4-43.9177.2-61.2-171.2176.21800111.6Y169 L173 I174 E175 T211Y169-K171 VanDerWaalsContact C-N 3.31Å; Y169-K171 PolarHBondContact O-N 2.9Å; K171-L173 VanDerWaalsContact C-N 3.31Å; K171-L173 PolarHBondContact O-N 2.7Å; K171-I174 PolarHBondContact O-N 3.32Å; K171-E175 WeakPolarHBondContact O-CG 3.41Å; K171-E175 PolarHBondContact O-N 3.34Å; K171-T211 HydrophobicContact CD-CG2 4.45Å; K171-T211 HydrophobicContact CG-CG2 4.12Å
172E93.5Very high93Very high56 Ų5636.3 Ų36.326%0.26218%0.178SC..Hα-helixtrans-66.7-33.1178.4-63.789.6142.200111.8Y169 S170Y169-E172 VanDerWaalsContact C-OE2 3.27Å; Y169-E172 WeakPolarHBondContact CA-OE2 3.42Å; Y169-E172 PolarHBondContact O-N 2.98Å; S170-E172 VanDerWaalsContact C-N 3.33Å; S170-E172 PolarHBondContact O-N 3.36Å
173L95.3Very high92.6Very high2 Ų236.2 Ų36.21%0.0118%0.179CC..Hα-helixtrans-70.6-41.8172.5-69.2-175.5000111.7T118 R122 V157 L160 L161 Y169 S170 K171 E175 V176T118-L173 HydrophobicContact CG2-CD1 4.26Å; T118-L173 HydrophobicContact CG2-CD2 4.22Å; T118-L173 HydrophobicContact CG2-CG 4.48Å; R122-L173 HydrophobicContact CG-CD2 4.48Å; V157-L173 HydrophobicContact CG1-CB 3.99Å; V157-L173 HydrophobicContact CG1-CD2 4.46Å; V157-L173 HydrophobicContact CG2-CD2 4.12Å; L160-L173 HydrophobicContact CB-CD1 4.43Å; L160-L173 HydrophobicContact CD1-CD1 4.26Å; L161-L173 HydrophobicContact CD1-CB 4.36Å; L161-L173 HydrophobicContact CD2-CB 4.14Å; L161-L173 HydrophobicContact CG-CB 4.4Å; Y169-L173 WeakPolarHBondContact O-CG 3.28Å; Y169-L173 PolarHBondContact O-N 3.3Å; Y169-L173 VanDerWaalsContact O-N 3.11Å; S170-L173 WeakPolarHBondContact O-CB 3.45Å; S170-L173 PolarHBondContact O-N 3.09Å; K171-L173 VanDerWaalsContact C-N 3.31Å; K171-L173 PolarHBondContact O-N 2.7Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 2.91Å; L173-V176 PolarHBondContact O-N 3.01Å
174I95.7Very high91.3Very high5 Ų538.9 Ų38.93%0.02620%0.203CC..Hα-helixtrans-61.4-36.8176-67.7161.6000110.9L161 S170 K171 V176 L177 P178 T211 I212 T215L161-I174 HydrophobicContact CD1-CG1 3.87Å; L161-I174 HydrophobicContact CD2-CD1 4.26Å; L161-I174 HydrophobicContact CD2-CG1 3.86Å; S170-I174 WeakPolarHBondContact O-CD1 3.43Å; S170-I174 VanDerWaalsContact O-CG1 3.25Å; S170-I174 WeakPolarHBondContact O-CG1 3.4Å; S170-I174 PolarHBondContact O-N 3.27Å; K171-I174 PolarHBondContact O-N 3.32Å; I174-V176 PolarHBondContact O-N 3.45Å; I174-V176 VanDerWaalsContact O-N 3.13Å; I174-L177 PolarHBondContact O-N 2.96Å; I174-P178 WeakPolarHBondContact O-CD 3.27Å; I174-T211 HydrophobicContact CD1-CG2 4.45Å; I174-I212 HydrophobicContact CD1-CG1 3.87Å; I174-I212 HydrophobicContact CG1-CG1 4.17Å; I174-I212 HydrophobicContact CG2-CB 4.4Å; I174-I212 HydrophobicContact CG2-CG1 3.85Å; I174-T215 HydrophobicContact CG2-CG2 4Å
175E93.7Very high90.6Very high71 Ų7142 Ų4233%0.33222%0.216SC..THydrogen-bonded Turntrans-57.9-26.1178.9-80.3-175.5177.800114.3K171 L173 T215K171-E175 WeakPolarHBondContact O-CG 3.41Å; K171-E175 PolarHBondContact O-N 3.34Å; L173-E175 VanDerWaalsContact C-N 3.28Å; L173-E175 PolarHBondContact O-N 2.91Å; E175-T215 HydrophobicContact CG-CG2 4.08Å
176V93Very high90.2Very high5 Ų545.8 Ų45.83%0.0324%0.239CC..THydrogen-bonded Turntrans-83-30.1-177.2-171.90000112.4R122 L125 D127 L173 I174 Y180R122-V176 HydrophobicContact CG-CG2 4.08Å; L125-V176 HydrophobicContact CB-CG1 3.41Å; L125-V176 VanDerWaalsContact CB-CG1 3.41Å; L125-V176 HydrophobicContact CD1-CG1 3.78Å; L125-V176 HydrophobicContact CG-CG1 4.23Å; D127-V176 HydrophobicContact CB-CG2 3.86Å; L173-V176 PolarHBondContact O-N 3.01Å; I174-V176 PolarHBondContact O-N 3.45Å; I174-V176 VanDerWaalsContact O-N 3.13Å; V176-Y180 HydrophobicContact CG1-CD2 4.31Å; V176-Y180 HydrophobicContact CG1-CE2 4.03Å
177L93.9Very high90.2Very high8 Ų846.3 Ų46.34%0.04224%0.238CC..Hα-helixtrans-62.5-42.4-171.6-62.8179.2000114.8V157 L161 I174 Q179 Y180 L181 I192V157-L177 HydrophobicContact CG1-CD2 3.95Å; V157-L177 HydrophobicContact CG1-CG 4.44Å; L161-L177 HydrophobicContact CD1-CD1 3.73Å; I174-L177 PolarHBondContact O-N 2.96Å; L177-Q179 PolarHBondContact O-N 2.86Å; L177-Q179 VanDerWaalsContact O-N 3.16Å; L177-Y180 PolarHBondContact O-N 3.2Å; L177-L181 PolarHBondContact O-N 3.36Å; L177-I192 HydrophobicContact CB-CG2 4.35Å; L177-I192 HydrophobicContact CD1-CG2 4.37Å; L177-I192 HydrophobicContact CD2-CD1 4.36Å; L177-I192 HydrophobicContact CD2-CG1 4.36Å; L177-I192 HydrophobicContact CD2-CG2 4.47Å
178P94.1Very high90Very high3 Ų346.9 Ų46.92%0.01924%0.242CC..Hα-helixtrans-58.2-32.9-176.4-27.935.3000114.3I174 Y180 L181 N182 T215 I216 F219I174-P178 WeakPolarHBondContact O-CD 3.27Å; P178-Y180 VanDerWaalsContact C-N 3.26Å; P178-Y180 PolarHBondContact O-N 3.44Å; P178-L181 PolarHBondContact O-N 2.9Å; P178-N182 PolarHBondContact O-N 3.11Å; P178-N182 VanDerWaalsContact O-N 3.15Å; P178-T215 HydrophobicContact CG-CG2 4.14Å; P178-I216 HydrophobicContact CG-CG1 4.26Å; P178-F219 HydrophobicContact CB-CB 3.53Å; P178-F219 HydrophobicContact CB-CD1 3.67Å; P178-F219 HydrophobicContact CB-CD2 3.69Å; P178-F219 HydrophobicContact CB-CE1 4.29Å; P178-F219 HydrophobicContact CB-CE2 4.3Å; P178-F219 HydrophobicContact CB-CG 3.32Å; P178-F219 HydrophobicContact CG-CB 4.16Å; P178-F219 HydrophobicContact CG-CG 4.42Å; P178-F219 WeakPolarHBondContact O-CE1 3.45Å; P178-F219 WeakPolarHBondContact O-CZ 3.39Å
179Q92.1Very high89.9Confident59 Ų5946.7 Ų46.728%0.27624%0.242SC..Hα-helixtrans-60.8-39.3175.4178172-57.100111.4L177 N182 I183 F219L177-Q179 PolarHBondContact O-N 2.86Å; L177-Q179 VanDerWaalsContact O-N 3.16Å; Q179-N182 PolarHBondContact O-N 2.64Å; Q179-I183 WeakPolarHBondContact O-CG1 3.26Å; Q179-F219 HydrophobicContact CB-CE2 4.25Å
180Y92Very high89.8Confident19 Ų1947 Ų478%0.07525%0.251CS..Hα-helixtrans-83-25.9-178.1-73-85000113.4L125 I154 V176 L177 P178 N182 I183 V188L125-Y180 WeakPolarHBondContact CA-OH 3.47Å; L125-Y180 HydrophobicContact CB-CE2 3.79Å; L125-Y180 HydrophobicContact CD2-CE1 4.28Å; L125-Y180 HydrophobicContact CD2-CE2 3.94Å; L125-Y180 HydrophobicContact CG-CE2 4.34Å; L125-Y180 WeakPolarHBondContact O-CE2 3.46Å; L125-Y180 PolarHBondContact O-OH 3.34Å; L125-Y180 VanDerWaalsContact O-OH 3.08Å; I154-Y180 HydrophobicContact CD1-CD1 3.4Å; I154-Y180 VanDerWaalsContact CD1-CD1 3.4Å; I154-Y180 HydrophobicContact CD1-CD2 4.45Å; I154-Y180 HydrophobicContact CD1-CE1 3.87Å; I154-Y180 HydrophobicContact CD1-CG 3.72Å; I154-Y180 HydrophobicContact CG1-CD1 4.43Å; I154-Y180 HydrophobicContact CG1-CG 4.44Å; V176-Y180 HydrophobicContact CG1-CD2 4.31Å; V176-Y180 HydrophobicContact CG1-CE2 4.03Å; L177-Y180 PolarHBondContact O-N 3.2Å; P178-Y180 VanDerWaalsContact C-N 3.26Å; P178-Y180 PolarHBondContact O-N 3.44Å; Y180-N182 VanDerWaalsContact C-N 3.27Å; Y180-I183 HydrophobicContact CD1-CD1 3.9Å; Y180-I183 HydrophobicContact CE1-CD1 4.22Å; Y180-I183 HydrophobicContact CG-CD1 4.47Å; Y180-I183 PolarHBondContact O-N 2.81Å; Y180-V188 HydrophobicContact CD1-CG1 4.3Å
181L91Very high89.8Confident1 Ų148.1 Ų48.11%0.00526%0.257CS..Hα-helixtrans-63.2-35.5166.2-75.5171.6000112L177 P178 I183 I192 I193 L196 P230 V231 A234L177-L181 PolarHBondContact O-N 3.36Å; P178-L181 PolarHBondContact O-N 2.9Å; L181-I183 VanDerWaalsContact C-N 3.32Å; L181-I183 PolarHBondContact O-N 2.95Å; L181-I192 HydrophobicContact CD1-CG2 4.06Å; L181-I192 HydrophobicContact CD2-CB 3.74Å; L181-I192 HydrophobicContact CD2-CD1 4.36Å; L181-I192 HydrophobicContact CD2-CG2 3.57Å; L181-I192 HydrophobicContact CG-CB 4.3Å; L181-I192 HydrophobicContact CG-CD1 4.26Å; L181-I192 HydrophobicContact CG-CG2 3.76Å; L181-I193 HydrophobicContact CD2-CG1 3.96Å; L181-L196 HydrophobicContact CD1-CD1 4.12Å; L181-P230 WeakPolarHBondContact O-CB 3.32Å; L181-V231 HydrophobicContact CB-CG2 3.98Å; L181-A234 HydrophobicContact CD1-CB 4.01Å
182N90.7Very high89.9Confident50 Ų5042.8 Ų42.827%0.26723%0.234SC..THydrogen-bonded Turntrans-81.9-7.1-177.8-163.868000114.3P178 Q179 Y180 F219 V227 G228 V231P178-N182 PolarHBondContact O-N 3.11Å; P178-N182 VanDerWaalsContact O-N 3.15Å; Q179-N182 PolarHBondContact O-N 2.64Å; Y180-N182 VanDerWaalsContact C-N 3.27Å; N182-F219 HydrophobicContact CB-CE1 3.71Å; N182-F219 HydrophobicContact CB-CZ 3.62Å; N182-V227 VanDerWaalsContact OD1-CA 3.24Å; N182-V227 WeakPolarHBondContact OD1-CA 3.39Å; N182-V227 WeakPolarHBondContact OD1-CB 3.2Å; N182-G228 PolarHBondContact OD1-N 3.03Å; N182-V231 HydrophobicContact CB-CG2 3.9Å
183I85.2Confident89.9Confident66 Ų6641.6 Ų41.634%0.33823%0.229SC..SBendtrans-84.2141.2177.5-68.3166.3000108.8Q179 Y180 L181 K185Q179-I183 WeakPolarHBondContact O-CG1 3.26Å; Y180-I183 HydrophobicContact CD1-CD1 3.9Å; Y180-I183 HydrophobicContact CE1-CD1 4.22Å; Y180-I183 HydrophobicContact CG-CD1 4.47Å; Y180-I183 PolarHBondContact O-N 2.81Å; L181-I183 VanDerWaalsContact C-N 3.32Å; L181-I183 PolarHBondContact O-N 2.95Å; I183-K185 HydrophobicContact CG2-CB 4.43Å; I183-K185 HydrophobicContact CG2-CG 4.15Å; I183-K185 PolarHBondContact O-N 3.24Å
184S65.8Low89.9Confident122 Ų12245.2 Ų45.285%0.85325%0.251SS*.SBendtrans-679.3-17452.90000116.3T186S184-T186 PolarHBondContact O-N 3.41Å
185K79Confident89.8Confident90 Ų9045.6 Ų45.639%0.39125%0.254SS..  trans-88.3106-177.7-69.5-172.1179-1700111.2E147 I183 Q187 V188 S189E147-K185 VanDerWaalsContact CD-NZ 3.27Å; E147-K185 IonicContact OE2-NZ 2.68Å; E147-K185 PolarHBondContact OE2-NZ 3.4Å; I183-K185 HydrophobicContact CG2-CB 4.43Å; I183-K185 HydrophobicContact CG2-CG 4.15Å; I183-K185 PolarHBondContact O-N 3.24Å; K185-Q187 VanDerWaalsContact C-N 3.28Å; K185-Q187 PolarHBondContact O-N 3.42Å; K185-Q187 VanDerWaalsContact O-N 3.17Å; K185-V188 HydrophobicContact CB-CB 4.34Å; K185-V188 HydrophobicContact CB-CG2 4.2Å; K185-V188 PolarHBondContact O-N 2.93Å; K185-S189 PolarHBondContact O-N 3.28Å; K185-S189 PolarHBondContact O-OG 3.49Å
186T82.8Confident89.9Confident115 Ų11542.4 Ų42.471%0.70624%0.239SC*.Hα-helixtrans-52-40.6-177.6-45.20000113.9S184 V188 S189 S190S184-T186 PolarHBondContact O-N 3.41Å; T186-V188 PolarHBondContact O-N 3.08Å; T186-S189 WeakPolarHBondContact CA-OG 3.32Å; T186-S189 PolarHBondContact O-OG 3.42Å; T186-S190 WeakPolarHBondContact O-CB 3.5Å; T186-S190 PolarHBondContact O-N 3.01Å; T186-S190 PolarHBondContact O-OG 3.37Å
187Q87.5Confident90Very high112 Ų11244.4 Ų44.452%0.52325%0.249SC..Hα-helixtrans-68.3-34.1-178.9-171-176.617.100113.3K185 S190 V191K185-Q187 VanDerWaalsContact C-N 3.28Å; K185-Q187 PolarHBondContact O-N 3.42Å; K185-Q187 VanDerWaalsContact O-N 3.17Å; Q187-S190 PolarHBondContact O-OG 3.33Å; Q187-V191 WeakPolarHBondContact O-CG2 3.4Å; Q187-V191 PolarHBondContact O-N 3.34Å
188V90.7Very high90Very high16 Ų1646.4 Ų46.410%0.09726%0.26CS..Hα-helixtrans-75.7-47.2-179.3172.90000109.5L151 I154 Y180 K185 T186 S190 V191 I192L151-V188 HydrophobicContact CD1-CG2 4.05Å; I154-V188 HydrophobicContact CD1-CG1 3.46Å; I154-V188 VanDerWaalsContact CD1-CG1 3.46Å; I154-V188 HydrophobicContact CD1-CG2 4.43Å; Y180-V188 HydrophobicContact CD1-CG1 4.3Å; K185-V188 HydrophobicContact CB-CB 4.34Å; K185-V188 HydrophobicContact CB-CG2 4.2Å; K185-V188 PolarHBondContact O-N 2.93Å; T186-V188 PolarHBondContact O-N 3.08Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 3.37Å; V188-V191 PolarHBondContact O-N 3.32Å; V188-I192 HydrophobicContact CG1-CD1 3.98Å; V188-I192 WeakPolarHBondContact O-CG1 3.43Å; V188-I192 PolarHBondContact O-N 2.91Å
189S91.1Very high90Very high10 Ų1046.8 Ų46.87%0.0726%0.262CS..Hα-helixtrans-60.9-39177.3510000111.9K185 T186 I192 I193K185-S189 PolarHBondContact O-N 3.28Å; K185-S189 PolarHBondContact O-OG 3.49Å; T186-S189 WeakPolarHBondContact CA-OG 3.32Å; T186-S189 PolarHBondContact O-OG 3.42Å; S189-I192 PolarHBondContact O-N 2.89Å; S189-I193 WeakPolarHBondContact O-CB 3.23Å; S189-I193 VanDerWaalsContact O-CG1 3.23Å; S189-I193 WeakPolarHBondContact O-CG1 3.36Å; S189-I193 PolarHBondContact O-N 3.37Å
190S91.7Very high90.1Very high55 Ų5544.9 Ų44.939%0.38525%0.253SS..Hα-helixtrans-64.2-45.8179.564.20000112.1T186 Q187 V188 I192 I193 T194T186-S190 WeakPolarHBondContact O-CB 3.5Å; T186-S190 PolarHBondContact O-N 3.01Å; T186-S190 PolarHBondContact O-OG 3.37Å; Q187-S190 PolarHBondContact O-OG 3.33Å; V188-S190 VanDerWaalsContact C-N 3.29Å; V188-S190 PolarHBondContact O-N 3.37Å; S190-I192 VanDerWaalsContact C-N 3.34Å; S190-I192 PolarHBondContact O-N 3.33Å; S190-I193 PolarHBondContact O-N 3.43Å; S190-T194 WeakPolarHBondContact O-CB 3.29Å; S190-T194 PolarHBondContact O-N 2.87Å; S190-T194 PolarHBondContact O-OG1 3.07Å
191V92.8Very high90Very high33 Ų3351.1 Ų51.120%0.228%0.283CS..Hα-helixtrans-57.9-47.1176.3171.90000110.9R155 Q187 V188 T194 T195R155-V191 HydrophobicContact CG-CG1 4.15Å; Q187-V191 WeakPolarHBondContact O-CG2 3.4Å; Q187-V191 PolarHBondContact O-N 3.34Å; V188-V191 PolarHBondContact O-N 3.32Å; V191-T194 PolarHBondContact O-N 3.44Å; V191-T195 PolarHBondContact O-N 3.35Å; V191-T195 PolarHBondContact O-OG1 2.9Å
192I95.4Very high90Very high1 Ų156.6 Ų56.61%0.00531%0.312CS..Hα-helixtrans-65.7-45.5-178.9-59.9168.4000110.6I154 L177 L181 V188 S189 S190 T194 T195 L196I154-I192 HydrophobicContact CG2-CD1 4.06Å; I154-I192 HydrophobicContact CG2-CG1 3.77Å; L177-I192 HydrophobicContact CB-CG2 4.35Å; L177-I192 HydrophobicContact CD1-CG2 4.37Å; L177-I192 HydrophobicContact CD2-CD1 4.36Å; L177-I192 HydrophobicContact CD2-CG1 4.36Å; L177-I192 HydrophobicContact CD2-CG2 4.47Å; L181-I192 HydrophobicContact CD1-CG2 4.06Å; L181-I192 HydrophobicContact CD2-CB 3.74Å; L181-I192 HydrophobicContact CD2-CD1 4.36Å; L181-I192 HydrophobicContact CD2-CG2 3.57Å; L181-I192 HydrophobicContact CG-CB 4.3Å; L181-I192 HydrophobicContact CG-CD1 4.26Å; L181-I192 HydrophobicContact CG-CG2 3.76Å; V188-I192 HydrophobicContact CG1-CD1 3.98Å; V188-I192 WeakPolarHBondContact O-CG1 3.43Å; V188-I192 PolarHBondContact O-N 2.91Å; S189-I192 PolarHBondContact O-N 2.89Å; S190-I192 VanDerWaalsContact C-N 3.34Å; S190-I192 PolarHBondContact O-N 3.33Å; I192-T194 PolarHBondContact O-N 3.3Å; I192-T195 PolarHBondContact O-N 3.44Å; I192-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 HydrophobicContact CG2-CG 4.14Å; I192-L196 WeakPolarHBondContact O-CB 3.29Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.47Å; I192-L196 PolarHBondContact O-N 2.93Å
193I94.3Very high90Very high31 Ų3155.3 Ų55.316%0.15931%0.305CS..Hα-helixtrans-60.8-47179.3-71167.6000110.6L181 S189 S190 T195 L196 N197 P230 A234L181-I193 HydrophobicContact CD2-CG1 3.96Å; S189-I193 WeakPolarHBondContact O-CB 3.23Å; S189-I193 VanDerWaalsContact O-CG1 3.23Å; S189-I193 WeakPolarHBondContact O-CG1 3.36Å; S189-I193 PolarHBondContact O-N 3.37Å; S190-I193 PolarHBondContact O-N 3.43Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-T195 PolarHBondContact O-N 3.42Å; I193-L196 PolarHBondContact O-N 3.19Å; I193-N197 PolarHBondContact O-N 2.87Å; I193-N197 PolarHBondContact O-OD1 3.21Å; I193-P230 HydrophobicContact CD1-CB 4.12Å; I193-A234 HydrophobicContact CG1-CB 4.43Å
194T95.2Very high89.9Confident78 Ų7856.8 Ų56.848%0.47932%0.317SS..Hα-helixtrans-58.3-45.3177-59.60000111.4S190 V191 I192 L196 N197 N198S190-T194 WeakPolarHBondContact O-CB 3.29Å; S190-T194 PolarHBondContact O-N 2.87Å; S190-T194 PolarHBondContact O-OG1 3.07Å; V191-T194 PolarHBondContact O-N 3.44Å; I192-T194 PolarHBondContact O-N 3.3Å; T194-L196 PolarHBondContact O-N 3.32Å; T194-N197 WeakPolarHBondContact O-CB 3.37Å; T194-N197 PolarHBondContact O-N 2.95Å; T194-N198 PolarHBondContact O-N 3.41Å; T194-N198 VanDerWaalsContact O-N 3.13Å; T194-N198 PolarHBondContact O-OD1 2.88Å
195T94.9Very high90.8Very high13 Ų1353.8 Ų53.88%0.0829%0.292CS..Hα-helixtrans-63.5-42.4176.4-58.60000112.3C158 E162 V191 I192 I193 N197 N198 I199C158-T195 HydrophobicContact CB-CG2 3.72Å; C158-T195 WeakPolarHBondContact CB-OG1 3.46Å; C158-T195 WeakPolarHBondContact O-CG2 3.3Å; E162-T195 HydrophobicContact CB-CG2 4.24Å; V191-T195 PolarHBondContact O-N 3.35Å; V191-T195 PolarHBondContact O-OG1 2.9Å; I192-T195 PolarHBondContact O-N 3.44Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-T195 PolarHBondContact O-N 3.42Å; T195-N197 VanDerWaalsContact C-N 3.3Å; T195-N197 PolarHBondContact O-N 3.25Å; T195-N198 PolarHBondContact O-N 2.95Å; T195-I199 HydrophobicContact CG2-CD1 3.9Å; T195-I199 HydrophobicContact CG2-CG1 4.44Å; T195-I199 VanDerWaalsContact O-CG1 3.31Å; T195-I199 WeakPolarHBondContact O-CG1 3.34Å; T195-I199 PolarHBondContact O-N 3.1Å
196L95.6Very high91.3Very high3 Ų351.4 Ų51.42%0.01628%0.28CS..Hα-helixtrans-62.2-39.4177.6-72.5-178.2000111.5L181 I192 I193 T194 I199 F200 I212 A234L181-L196 HydrophobicContact CD1-CD1 4.12Å; I192-L196 HydrophobicContact CG2-CD1 3.99Å; I192-L196 HydrophobicContact CG2-CG 4.14Å; I192-L196 WeakPolarHBondContact O-CB 3.29Å; I192-L196 VanDerWaalsContact O-CG 3.28Å; I192-L196 WeakPolarHBondContact O-CG 3.47Å; I192-L196 PolarHBondContact O-N 2.93Å; I193-L196 PolarHBondContact O-N 3.19Å; T194-L196 PolarHBondContact O-N 3.32Å; L196-I199 HydrophobicContact CD2-CD1 4.49Å; L196-I199 PolarHBondContact O-N 3.14Å; L196-F200 HydrophobicContact CB-CD2 4.48Å; L196-F200 HydrophobicContact CB-CE2 3.87Å; L196-F200 HydrophobicContact CB-CZ 4.05Å; L196-F200 HydrophobicContact CD2-CZ 4.31Å; L196-F200 WeakPolarHBondContact O-CD2 3.32Å; L196-F200 WeakPolarHBondContact O-CG 3.48Å; L196-F200 PolarHBondContact O-N 2.88Å; L196-I212 HydrophobicContact CD2-CD1 3.93Å; L196-I212 HydrophobicContact CD2-CG2 3.88Å; L196-A234 HydrophobicContact CD1-CB 3.9Å
197N94.1Very high91.6Very high47 Ų4749 Ų4925%0.25126%0.263SS..Hα-helixtrans-58.6-50.1174.8-64.21.1000110.9I193 T194 T195 I199 F200 E201 C237I193-N197 PolarHBondContact O-N 2.87Å; I193-N197 PolarHBondContact O-OD1 3.21Å; T194-N197 WeakPolarHBondContact O-CB 3.37Å; T194-N197 PolarHBondContact O-N 2.95Å; T195-N197 VanDerWaalsContact C-N 3.3Å; T195-N197 PolarHBondContact O-N 3.25Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 3.38Å; N197-F200 PolarHBondContact O-N 3.36Å; N197-F200 VanDerWaalsContact O-N 3.14Å; N197-E201 WeakPolarHBondContact O-CG 3.38Å; N197-E201 PolarHBondContact O-N 3.42Å; N197-C237 WeakPolarHBondContact OD1-CB 3.36Å; N197-C237 PolarHBondContact OD1-SG 2.86Å
198N94.7Very high91.8Very high50 Ų5044.1 Ų44.127%0.26724%0.241SC..Hα-helixtrans-60.5-39.9178.6-63.2-3.7000111.4E162 T194 T195 N202E162-N198 HydrophobicContact CG-CB 4.41Å; E162-N198 PolarHBondContact OE1-ND2 3.35Å; T194-N198 PolarHBondContact O-N 3.41Å; T194-N198 VanDerWaalsContact O-N 3.13Å; T194-N198 PolarHBondContact O-OD1 2.88Å; T195-N198 PolarHBondContact O-N 2.95Å; N198-N202 WeakPolarHBondContact O-CB 3.3Å; N198-N202 VanDerWaalsContact O-CG 3.29Å; N198-N202 PolarHBondContact O-N 3.44Å; N198-N202 VanDerWaalsContact O-N 3.13Å; N198-N202 PolarHBondContact O-ND2 3.4Å
199I94.3Very high92Very high11 Ų1143.4 Ų43.46%0.05624%0.237CC..Hα-helixtrans-63.8-45.6175.8-68.2166.6000110.6L161 T195 L196 N197 E201 N202 D203 V208 I212L161-I199 HydrophobicContact CB-CD1 3.83Å; T195-I199 HydrophobicContact CG2-CD1 3.9Å; T195-I199 HydrophobicContact CG2-CG1 4.44Å; T195-I199 VanDerWaalsContact O-CG1 3.31Å; T195-I199 WeakPolarHBondContact O-CG1 3.34Å; T195-I199 PolarHBondContact O-N 3.1Å; L196-I199 HydrophobicContact CD2-CD1 4.49Å; L196-I199 PolarHBondContact O-N 3.14Å; N197-I199 VanDerWaalsContact C-N 3.29Å; N197-I199 PolarHBondContact O-N 3.38Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-E201 PolarHBondContact O-N 3.47Å; I199-N202 PolarHBondContact O-N 2.92Å; I199-D203 VanDerWaalsContact O-CB 3.22Å; I199-D203 WeakPolarHBondContact O-CB 3.28Å; I199-D203 PolarHBondContact O-N 3.05Å; I199-V208 HydrophobicContact CG2-CG1 3.9Å; I199-I212 HydrophobicContact CG2-CD1 3.81Å
200F94.3Very high92.1Very high20 Ų2043.3 Ų43.39%0.08824%0.235CC..Hα-helixtrans-67.8-32.8-178.6-59.3-30.5000113.3L196 N197 T209 I212 A234 C237 V238L196-F200 HydrophobicContact CB-CD2 4.48Å; L196-F200 HydrophobicContact CB-CE2 3.87Å; L196-F200 HydrophobicContact CB-CZ 4.05Å; L196-F200 HydrophobicContact CD2-CZ 4.31Å; L196-F200 WeakPolarHBondContact O-CD2 3.32Å; L196-F200 WeakPolarHBondContact O-CG 3.48Å; L196-F200 PolarHBondContact O-N 2.88Å; N197-F200 PolarHBondContact O-N 3.36Å; N197-F200 VanDerWaalsContact O-N 3.14Å; F200-T209 HydrophobicContact CD1-CG2 3.69Å; F200-T209 HydrophobicContact CE1-CG2 3.97Å; F200-T209 HydrophobicContact CG-CG2 4.44Å; F200-I212 HydrophobicContact CE1-CB 4.12Å; F200-I212 HydrophobicContact CE1-CD1 3.81Å; F200-I212 HydrophobicContact CE1-CG2 3.96Å; F200-I212 HydrophobicContact CZ-CG2 3.86Å; F200-A234 WeakPolarHBondContact CE2-O 3.33Å; F200-C237 HydrophobicContact CD2-CB 4.01Å; F200-C237 HydrophobicContact CE2-CB 4.09Å; F200-V238 HydrophobicContact CD1-CG2 4.34Å; F200-V238 HydrophobicContact CD2-CG2 3.73Å; F200-V238 HydrophobicContact CE1-CG2 4.28Å; F200-V238 HydrophobicContact CE2-CG2 3.66Å; F200-V238 HydrophobicContact CG-CG2 4.08Å; F200-V238 HydrophobicContact CZ-CG2 3.95Å
201E89.9Confident92.3Very high149 Ų14942.4 Ų42.470%0.69623%0.227SC*.Hα-helixtrans-72.1-36.9176.3-73.3178.7-178.900112.1N197 I199N197-E201 WeakPolarHBondContact O-CG 3.38Å; N197-E201 PolarHBondContact O-N 3.42Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-E201 PolarHBondContact O-N 3.47Å
202N90Very high92.4Very high117 Ų11741 Ų4163%0.62622%0.219SC*.Hα-helixtrans-84.2-17.8-179.1-67.8-40.7000113.8N198 I199 T204N198-N202 WeakPolarHBondContact O-CB 3.3Å; N198-N202 VanDerWaalsContact O-CG 3.29Å; N198-N202 PolarHBondContact O-N 3.44Å; N198-N202 VanDerWaalsContact O-N 3.13Å; N198-N202 PolarHBondContact O-ND2 3.4Å; I199-N202 PolarHBondContact O-N 2.92Å; N202-T204 PolarHBondContact O-N 2.99Å; N202-T204 VanDerWaalsContact O-N 3.1Å
203D90Very high92.5Very high23 Ų2341 Ų4112%0.12322%0.219CC..  trans-80.389.6-178.3-175.99000112.6I199 D205 R206 V208 T209I199-D203 VanDerWaalsContact O-CB 3.22Å; I199-D203 WeakPolarHBondContact O-CB 3.28Å; I199-D203 PolarHBondContact O-N 3.05Å; D203-D205 PolarHBondContact O-N 3.11Å; D203-D205 PolarHBondContact OD1-N 2.79Å; D203-R206 VanDerWaalsContact CG-CA 3.45Å; D203-R206 WeakPolarHBondContact OD1-CA 3.44Å; D203-R206 PolarHBondContact OD1-N 3.38Å; D203-R206 VanDerWaalsContact OD2-C 3.29Å; D203-R206 WeakPolarHBondContact OD2-CA 3.34Å; D203-V208 WeakPolarHBondContact OD2-CB 3.31Å; D203-V208 PolarHBondContact OD2-N 3.28Å; D203-T209 VanDerWaalsContact OD2-CB 3.3Å; D203-T209 WeakPolarHBondContact OD2-CB 3.48Å; D203-T209 PolarHBondContact OD2-N 2.85Å; D203-T209 PolarHBondContact OD2-OG1 2.84Å
204T84.1Confident92.6Very high97 Ų9744.5 Ų44.560%0.59523%0.23SC*.SBendtrans-68.8-30-178.961.30000114.7N202N202-T204 PolarHBondContact O-N 2.99Å; N202-T204 VanDerWaalsContact O-N 3.1Å
205D83.7Confident92.6Very high59 Ų5941.2 Ų41.232%0.31621%0.21SC..SBendtrans-94.5-18.6-176.8-88.4-0.2000112.8D203 D207 K288D203-D205 PolarHBondContact O-N 3.11Å; D203-D205 PolarHBondContact OD1-N 2.79Å; D205-D207 PolarHBondContact O-N 2.84Å; D205-K288 IonicContact OD2-NZ 2.68Å; D205-K288 PolarHBondContact OD2-NZ 3.23Å
206R90.3Very high92.7Very high40 Ų4040.8 Ų40.815%0.15121%0.207CC..  trans68.811.6179.3-52.8-152.6-175.6172.2-13.7115.8D203 L210 S239 M292 N293 V296D203-R206 VanDerWaalsContact CG-CA 3.45Å; D203-R206 WeakPolarHBondContact OD1-CA 3.44Å; D203-R206 PolarHBondContact OD1-N 3.38Å; D203-R206 VanDerWaalsContact OD2-C 3.29Å; D203-R206 WeakPolarHBondContact OD2-CA 3.34Å; R206-L210 VanDerWaalsContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CB 3.42Å; R206-L210 PolarHBondContact O-N 3.28Å; R206-S239 PolarHBondContact NH2-O 2.68Å; R206-M292 HydrophobicContact CB-CB 4.34Å; R206-M292 HydrophobicContact CB-CG 4.02Å; R206-N293 WeakPolarHBondContact CD-OD1 3.31Å; R206-N293 PolarHBondContact NE-OD1 3.39Å; R206-N293 VanDerWaalsContact NE-OD1 3.08Å; R206-N293 PolarHBondContact NH1-ND2 3.46Å; R206-N293 PolarHBondContact NH1-OD1 3.1Å; R206-V296 HydrophobicContact CB-CG2 4.47Å
207D89.3Confident92.7Very high64 Ų6442 Ų4234%0.34221%0.213SC..Hα-helixtrans-67.6-40.9178.9-77.6-40.3000111.5D205 T211 K288 M292D205-D207 PolarHBondContact O-N 2.84Å; D207-T211 PolarHBondContact O-N 3Å; D207-T211 VanDerWaalsContact O-N 3.14Å; D207-T211 PolarHBondContact O-OG1 3.28Å; D207-K288 IonicContact OD2-NZ 2.74Å; D207-M292 WeakPolarHBondContact OD1-CE 3.49Å
208V91.8Very high92.8Very high9 Ų946.3 Ų46.36%0.05523%0.226CC..Hα-helixtrans-72.1-44.8177.5-178.80000109.7P165 D166 I199 D203 L210 T211 I212P165-V208 HydrophobicContact CB-CB 4.47Å; P165-V208 HydrophobicContact CB-CG1 3.91Å; P165-V208 HydrophobicContact CB-CG2 3.89Å; D166-V208 WeakPolarHBondContact OD1-CG2 3.21Å; I199-V208 HydrophobicContact CG2-CG1 3.9Å; D203-V208 WeakPolarHBondContact OD2-CB 3.31Å; D203-V208 PolarHBondContact OD2-N 3.28Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 3.08Å; V208-T211 WeakPolarHBondContact O-CA 3.45Å; V208-T211 WeakPolarHBondContact O-CB 3.49Å; V208-T211 PolarHBondContact O-N 3.39Å; V208-I212 HydrophobicContact CG1-CD1 3.9Å; V208-I212 HydrophobicContact CG1-CG1 4.48Å; V208-I212 WeakPolarHBondContact O-CG1 3.28Å; V208-I212 PolarHBondContact O-N 3.44Å
209T94.2Very high92.8Very high2 Ų245.2 Ų45.21%0.01222%0.219CC..Hα-helixtrans-55.4-47.5176.1-600000111.1F200 D203 T211 I212 C213 V238 V296F200-T209 HydrophobicContact CD1-CG2 3.69Å; F200-T209 HydrophobicContact CE1-CG2 3.97Å; F200-T209 HydrophobicContact CG-CG2 4.44Å; D203-T209 VanDerWaalsContact OD2-CB 3.3Å; D203-T209 WeakPolarHBondContact OD2-CB 3.48Å; D203-T209 PolarHBondContact OD2-N 2.85Å; D203-T209 PolarHBondContact OD2-OG1 2.84Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 3.14Å; T209-I212 PolarHBondContact O-N 2.95Å; T209-C213 WeakPolarHBondContact O-CB 3.25Å; T209-C213 PolarHBondContact O-N 3.47Å; T209-C213 PolarHBondContact O-SG 2.94Å; T209-V238 HydrophobicContact CG2-CG1 3.91Å; T209-V238 HydrophobicContact CG2-CG2 4.08Å; T209-V296 HydrophobicContact CG2-CG1 4.07Å; T209-V296 HydrophobicContact CG2-CG2 4.39Å
210L94.2Very high92.8Very high8 Ų844.7 Ų44.74%0.04222%0.216CC..Hα-helixtrans-62-40.6175.8-178.760.3000111.9R206 V208 C213 R214 M292 L295 V296 E299R206-L210 VanDerWaalsContact O-CB 3.29Å; R206-L210 WeakPolarHBondContact O-CB 3.42Å; R206-L210 PolarHBondContact O-N 3.28Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 3.08Å; L210-C213 PolarHBondContact O-N 3.34Å; L210-R214 HydrophobicContact CD1-CG 4.28Å; L210-R214 WeakPolarHBondContact O-CB 3.31Å; L210-R214 VanDerWaalsContact O-CG 3.31Å; L210-R214 WeakPolarHBondContact O-CG 3.38Å; L210-R214 PolarHBondContact O-N 3.26Å; L210-M292 HydrophobicContact CD2-SD 3.8Å; L210-L295 HydrophobicContact CD1-CB 4.11Å; L210-L295 HydrophobicContact CD2-CB 4.22Å; L210-L295 HydrophobicContact CD2-CD1 4.23Å; L210-V296 HydrophobicContact CB-CG2 3.76Å; L210-V296 HydrophobicContact CD1-CG2 3.9Å; L210-V296 HydrophobicContact CG-CG2 4.38Å; L210-E299 HydrophobicContact CD1-CG 4.18Å
211T94.5Very high92.8Very high35 Ų3552.4 Ų52.422%0.21524%0.244CC..Hα-helixtrans-63.4-42.6177.7-60.80000111.7K171 I174 D207 V208 T209 T215K171-T211 HydrophobicContact CD-CG2 4.45Å; K171-T211 HydrophobicContact CG-CG2 4.12Å; I174-T211 HydrophobicContact CD1-CG2 4.45Å; D207-T211 PolarHBondContact O-N 3Å; D207-T211 VanDerWaalsContact O-N 3.14Å; D207-T211 PolarHBondContact O-OG1 3.28Å; V208-T211 WeakPolarHBondContact O-CA 3.45Å; V208-T211 WeakPolarHBondContact O-CB 3.49Å; V208-T211 PolarHBondContact O-N 3.39Å; T209-T211 VanDerWaalsContact C-N 3.32Å; T209-T211 PolarHBondContact O-N 3.14Å; T211-T215 WeakPolarHBondContact O-CB 3.46Å; T211-T215 PolarHBondContact O-N 3.43Å; T211-T215 PolarHBondContact O-OG1 3.08Å
212I96.5Very high93Very high4 Ų449.2 Ų49.22%0.02124%0.238CC..Hα-helixtrans-63.9-49.8175.4-67.2164.8000110.3I174 L196 I199 F200 V208 T209 R214 T215 I216I174-I212 HydrophobicContact CD1-CG1 3.87Å; I174-I212 HydrophobicContact CG1-CG1 4.17Å; I174-I212 HydrophobicContact CG2-CB 4.4Å; I174-I212 HydrophobicContact CG2-CG1 3.85Å; L196-I212 HydrophobicContact CD2-CD1 3.93Å; L196-I212 HydrophobicContact CD2-CG2 3.88Å; I199-I212 HydrophobicContact CG2-CD1 3.81Å; F200-I212 HydrophobicContact CE1-CB 4.12Å; F200-I212 HydrophobicContact CE1-CD1 3.81Å; F200-I212 HydrophobicContact CE1-CG2 3.96Å; F200-I212 HydrophobicContact CZ-CG2 3.86Å; V208-I212 HydrophobicContact CG1-CD1 3.9Å; V208-I212 HydrophobicContact CG1-CG1 4.48Å; V208-I212 WeakPolarHBondContact O-CG1 3.28Å; V208-I212 PolarHBondContact O-N 3.44Å; T209-I212 PolarHBondContact O-N 2.95Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.34Å; I212-T215 WeakPolarHBondContact O-CB 3.44Å; I212-T215 PolarHBondContact O-N 2.91Å; I212-I216 HydrophobicContact CG2-CD1 3.88Å; I212-I216 HydrophobicContact CG2-CG1 4.47Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 3.41Å
213C96.3Very high93.1Very high2 Ų247.8 Ų47.81%0.01423%0.227CC..Hα-helixtrans-58.4-45179.8-68.30000111.9T209 L210 T215 I216 H217 L235T209-C213 WeakPolarHBondContact O-CB 3.25Å; T209-C213 PolarHBondContact O-N 3.47Å; T209-C213 PolarHBondContact O-SG 2.94Å; L210-C213 PolarHBondContact O-N 3.34Å; C213-T215 VanDerWaalsContact C-N 3.29Å; C213-T215 PolarHBondContact O-N 3.03Å; C213-I216 PolarHBondContact O-N 2.98Å; C213-H217 WeakPolarHBondContact O-CB 3.38Å; C213-H217 PolarHBondContact O-N 3.45Å; C213-L235 HydrophobicContact CB-CD2 4.41Å
214R96.4Very high93.1Very high103 Ų10350.8 Ų50.839%0.38925%0.249SC..Hα-helixtrans-62.7-36175.1-77.7176.2167.8165.20.9112.9L210 I212 H217 R218 E299L210-R214 HydrophobicContact CD1-CG 4.28Å; L210-R214 WeakPolarHBondContact O-CB 3.31Å; L210-R214 VanDerWaalsContact O-CG 3.31Å; L210-R214 WeakPolarHBondContact O-CG 3.38Å; L210-R214 PolarHBondContact O-N 3.26Å; I212-R214 VanDerWaalsContact C-N 3.34Å; I212-R214 PolarHBondContact O-N 3.34Å; R214-H217 PolarHBondContact O-N 3.4Å; R214-R218 WeakPolarHBondContact O-CB 3.18Å; R214-R218 PolarHBondContact O-N 3.29Å; R214-E299 HydrophobicContact CG-CG 4.19Å; R214-E299 WeakPolarHBondContact CG-OE1 3.16Å; R214-E299 IonicContact NE-OE1 3.13Å; R214-E299 PolarHBondContact NE-OE1 3.39Å
215T95.7Very high93.4Very high10 Ų1047.1 Ų47.16%0.06123%0.225CC..Hα-helixtrans-70.5-42.5178.8-58.70000111I174 E175 P178 T211 I212 C213 R218 F219I174-T215 HydrophobicContact CG2-CG2 4Å; E175-T215 HydrophobicContact CG-CG2 4.08Å; P178-T215 HydrophobicContact CG-CG2 4.14Å; T211-T215 WeakPolarHBondContact O-CB 3.46Å; T211-T215 PolarHBondContact O-N 3.43Å; T211-T215 PolarHBondContact O-OG1 3.08Å; I212-T215 WeakPolarHBondContact O-CB 3.44Å; I212-T215 PolarHBondContact O-N 2.91Å; C213-T215 VanDerWaalsContact C-N 3.29Å; C213-T215 PolarHBondContact O-N 3.03Å; T215-R218 PolarHBondContact O-N 3.04Å; T215-F219 WeakPolarHBondContact O-CB 3.25Å; T215-F219 PolarHBondContact O-N 2.92Å
216I96.3Very high93.7Very high4 Ų452.3 Ų52.32%0.02124%0.244CC..Hα-helixtrans-62-44.8171.4-65.7170.4000110.5P178 I212 C213 R218 F219 C220 V231 A234 L235P178-I216 HydrophobicContact CG-CG1 4.26Å; I212-I216 HydrophobicContact CG2-CD1 3.88Å; I212-I216 HydrophobicContact CG2-CG1 4.47Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 3.41Å; C213-I216 PolarHBondContact O-N 2.98Å; I216-R218 PolarHBondContact O-N 3.42Å; I216-F219 WeakPolarHBondContact O-CB 3.17Å; I216-F219 PolarHBondContact O-N 2.88Å; I216-F219 VanDerWaalsContact O-N 3.15Å; I216-C220 PolarHBondContact O-N 3.35Å; I216-C220 PolarHBondContact O-SG 2.86Å; I216-V231 HydrophobicContact CG2-CG1 3.74Å; I216-A234 HydrophobicContact CD1-CB 4.34Å; I216-L235 HydrophobicContact CB-CD2 4.1Å; I216-L235 HydrophobicContact CD1-CD2 3.93Å; I216-L235 HydrophobicContact CD1-CG 4.46Å; I216-L235 HydrophobicContact CG2-CD1 3.97Å; I216-L235 HydrophobicContact CG2-CD2 3.91Å; I216-L235 HydrophobicContact CG2-CG 3.94Å
217H95.9Very high93.7Very high28 Ų2851 Ų5113%0.1324%0.241CC..Hα-helixtrans-57.8-48.7175.9178.8-172.7000111.4C213 R214 F219 C220 R221 Y225 E299 F302 V303C213-H217 WeakPolarHBondContact O-CB 3.38Å; C213-H217 PolarHBondContact O-N 3.45Å; R214-H217 PolarHBondContact O-N 3.4Å; H217-F219 VanDerWaalsContact C-N 3.27Å; H217-F219 PolarHBondContact O-N 3.01Å; H217-C220 WeakPolarHBondContact O-CB 3.43Å; H217-C220 PolarHBondContact O-N 3.46Å; H217-R221 PolarHBondContact O-N 2.88Å; H217-Y225 PolarHBondContact NE2-OH 3.43Å; H217-E299 IonicContact CE1-OE2 2.59Å; H217-E299 IonicContact CG-OE2 3.19Å; H217-E299 IonicContact ND1-OE2 3.5Å; H217-E299 PolarHBondContact ND1-OE2 2.91Å; H217-F302 AromaticContact CE1-CD1 3.38Å; H217-F302 WeakPolarHBondContact CE1-CD1 3.27Å; H217-F302 AromaticContact CE1-CE1 3.67Å; H217-F302 AromaticContact NE2-CD1 3.4Å; H217-F302 WeakPolarHBondContact NE2-CD1 3.06Å; H217-F302 AromaticContact NE2-CE1 3.42Å; H217-F302 WeakPolarHBondContact NE2-CE1 3.46Å; H217-V303 HydrophobicContact CB-CG2 3.58Å
218R95.9Very high93.7Very high138 Ų13849.2 Ų49.252%0.52124%0.238SC..Hα-helixtrans-58.4-40.7176.6-167-176.5-56.4109.27.2111.6R214 T215 I216 R221 S222R214-R218 WeakPolarHBondContact O-CB 3.18Å; R214-R218 PolarHBondContact O-N 3.29Å; T215-R218 PolarHBondContact O-N 3.04Å; I216-R218 PolarHBondContact O-N 3.42Å; R218-R221 PolarHBondContact O-N 3.49Å; R218-S222 PolarHBondContact O-N 2.82Å
219F94.8Very high93.7Very high27 Ų2751 Ų5112%0.11825%0.248CC..Hα-helixtrans-62.5-48.7174.7175.8-97.3000112P178 Q179 N182 T215 I216 H217 R221 S222 K223 V227P178-F219 HydrophobicContact CB-CB 3.53Å; P178-F219 HydrophobicContact CB-CD1 3.67Å; P178-F219 HydrophobicContact CB-CD2 3.69Å; P178-F219 HydrophobicContact CB-CE1 4.29Å; P178-F219 HydrophobicContact CB-CE2 4.3Å; P178-F219 HydrophobicContact CB-CG 3.32Å; P178-F219 HydrophobicContact CG-CB 4.16Å; P178-F219 HydrophobicContact CG-CG 4.42Å; P178-F219 WeakPolarHBondContact O-CE1 3.45Å; P178-F219 WeakPolarHBondContact O-CZ 3.39Å; Q179-F219 HydrophobicContact CB-CE2 4.25Å; N182-F219 HydrophobicContact CB-CE1 3.71Å; N182-F219 HydrophobicContact CB-CZ 3.62Å; T215-F219 WeakPolarHBondContact O-CB 3.25Å; T215-F219 PolarHBondContact O-N 2.92Å; I216-F219 WeakPolarHBondContact O-CB 3.17Å; I216-F219 PolarHBondContact O-N 2.88Å; I216-F219 VanDerWaalsContact O-N 3.15Å; H217-F219 VanDerWaalsContact C-N 3.27Å; H217-F219 PolarHBondContact O-N 3.01Å; F219-R221 VanDerWaalsContact C-N 3.26Å; F219-R221 PolarHBondContact O-N 2.98Å; F219-S222 WeakPolarHBondContact O-CB 3.11Å; F219-S222 PolarHBondContact O-N 3.45Å; F219-S222 PolarHBondContact O-OG 2.87Å; F219-K223 HydrophobicContact CE1-CG 4.3Å; F219-K223 HydrophobicContact CE2-CG 4.32Å; F219-K223 HydrophobicContact CZ-CG 4.05Å; F219-K223 PolarHBondContact O-N 3.18Å; F219-V227 HydrophobicContact CE1-CG1 4.23Å
220C94.8Very high93.6Very high0 Ų052.5 Ų52.50%026%0.258CS..Hα-helixtrans-55.4-43.7175.2-67.70000111.1I216 H217 S222 K223 S224 Y225 V227 V303I216-C220 PolarHBondContact O-N 3.35Å; I216-C220 PolarHBondContact O-SG 2.86Å; H217-C220 WeakPolarHBondContact O-CB 3.43Å; H217-C220 PolarHBondContact O-N 3.46Å; C220-S222 PolarHBondContact O-N 3.25Å; C220-K223 CarbonylContact O-C 3.55Å; C220-K223 PolarHBondContact O-N 2.88Å; C220-S224 PolarHBondContact O-N 3.46Å; C220-Y225 HydrophobicContact CB-CD1 3.85Å; C220-Y225 HydrophobicContact CB-CE1 4Å; C220-Y225 WeakPolarHBondContact O-CA 3.37Å; C220-Y225 PolarHBondContact O-N 2.89Å; C220-V227 HydrophobicContact CB-CG1 4.46Å; C220-V303 HydrophobicContact CB-CG1 4.49Å
221R94.7Very high93.6Very high181 Ų18152.1 Ų52.168%0.68326%0.257SS*.Hα-helixtrans-61.6-41.8176.2-167.1179-170.1176.93.9112.2H217 R218 F219 K223 S224 Y225H217-R221 PolarHBondContact O-N 2.88Å; R218-R221 PolarHBondContact O-N 3.49Å; F219-R221 VanDerWaalsContact C-N 3.26Å; F219-R221 PolarHBondContact O-N 2.98Å; R221-K223 PolarHBondContact O-N 3.36Å; R221-S224 PolarHBondContact O-N 3.06Å; R221-S224 VanDerWaalsContact O-N 3.1Å; R221-Y225 HydrophobicContact CB-CE2 4.45Å; R221-Y225 HydrophobicContact CG-CE2 4.43Å
222S93.6Very high93.5Very high82 Ų8250.5 Ų50.557%0.57325%0.246SC*.Hα-helixtrans-63.6-23.2177.981.20000113.7R218 F219 C220R218-S222 PolarHBondContact O-N 2.82Å; F219-S222 WeakPolarHBondContact O-CB 3.11Å; F219-S222 PolarHBondContact O-N 3.45Å; F219-S222 PolarHBondContact O-OG 2.87Å; C220-S222 PolarHBondContact O-N 3.25Å
223K91.3Very high93.3Very high88 Ų8852.2 Ų52.238%0.38326%0.259SS..THydrogen-bonded Turntrans-102.214.1177.2-64.1-59.9-171170.60113.2F219 C220 R221 Y225 K226 V227F219-K223 HydrophobicContact CE1-CG 4.3Å; F219-K223 HydrophobicContact CE2-CG 4.32Å; F219-K223 HydrophobicContact CZ-CG 4.05Å; F219-K223 PolarHBondContact O-N 3.18Å; C220-K223 CarbonylContact O-C 3.55Å; C220-K223 PolarHBondContact O-N 2.88Å; R221-K223 PolarHBondContact O-N 3.36Å; K223-Y225 PolarHBondContact O-N 3.09Å; K223-Y225 VanDerWaalsContact O-N 3.12Å; K223-K226 PolarHBondContact O-N 2.81Å; K223-V227 HydrophobicContact CB-CG1 4.35Å
224S90.2Very high93.1Very high85 Ų8552.1 Ų52.159%0.59426%0.259SS*.THydrogen-bonded Turntrans51.735.4-176.1-52.70000112.5C220 R221 K226C220-S224 PolarHBondContact O-N 3.46Å; R221-S224 PolarHBondContact O-N 3.06Å; R221-S224 VanDerWaalsContact O-N 3.1Å; S224-K226 PolarHBondContact O-N 3.19Å; S224-K226 VanDerWaalsContact O-N 3.17Å
225Y90.3Very high93Very high21 Ų2147.3 Ų47.38%0.08224%0.241CC..THydrogen-bonded Turntrans61.715.4-179.1-57.4-89.8000115.1H217 C220 R221 K223 V227 K306 I307H217-Y225 PolarHBondContact NE2-OH 3.43Å; C220-Y225 HydrophobicContact CB-CD1 3.85Å; C220-Y225 HydrophobicContact CB-CE1 4Å; C220-Y225 WeakPolarHBondContact O-CA 3.37Å; C220-Y225 PolarHBondContact O-N 2.89Å; R221-Y225 HydrophobicContact CB-CE2 4.45Å; R221-Y225 HydrophobicContact CG-CE2 4.43Å; K223-Y225 PolarHBondContact O-N 3.09Å; K223-Y225 VanDerWaalsContact O-N 3.12Å; Y225-V227 PolarHBondContact O-N 3.45Å; Y225-K306 HydrophobicContact CD1-CB 4.1Å; Y225-K306 HydrophobicContact CD1-CG 3.7Å; Y225-K306 HydrophobicContact CD2-CD 4.43Å; Y225-K306 HydrophobicContact CD2-CG 3.63Å; Y225-K306 HydrophobicContact CE1-CB 3.89Å; Y225-K306 HydrophobicContact CE1-CG 3.52Å; Y225-K306 HydrophobicContact CE2-CD 4.26Å; Y225-K306 HydrophobicContact CE2-CG 3.46Å; Y225-K306 VanDerWaalsContact CE2-CG 3.46Å; Y225-K306 HydrophobicContact CG-CG 3.75Å; Y225-K306 VanDerWaalsContact CZ-CG 3.4Å; Y225-I307 HydrophobicContact CD1-CG1 3.93Å; Y225-I307 HydrophobicContact CG-CG1 4.47Å
226K89.7Confident92.8Very high167 Ų16747.8 Ų47.873%0.72624%0.244SC*.  trans-87.187.5168.4-64.5-176.6178-175.50109.3K223 S224K223-K226 PolarHBondContact O-N 2.81Å; S224-K226 PolarHBondContact O-N 3.19Å; S224-K226 VanDerWaalsContact O-N 3.17Å
227V91.2Very high92.6Very high12 Ų1248.9 Ų48.97%0.07325%0.252CS..  trans-127.4157.6-175.8-63.30000111.5N182 F219 C220 K223 Y225 V231 I232 I307 L316N182-V227 VanDerWaalsContact OD1-CA 3.24Å; N182-V227 WeakPolarHBondContact OD1-CA 3.39Å; N182-V227 WeakPolarHBondContact OD1-CB 3.2Å; F219-V227 HydrophobicContact CE1-CG1 4.23Å; C220-V227 HydrophobicContact CB-CG1 4.46Å; K223-V227 HydrophobicContact CB-CG1 4.35Å; Y225-V227 PolarHBondContact O-N 3.45Å; V227-V231 HydrophobicContact CB-CB 4.3Å; V227-V231 HydrophobicContact CB-CG1 4.45Å; V227-V231 HydrophobicContact CB-CG2 4.32Å; V227-V231 HydrophobicContact CG2-CB 4.42Å; V227-V231 HydrophobicContact CG2-CG1 4.47Å; V227-I232 HydrophobicContact CG2-CG1 4.48Å; V227-I307 HydrophobicContact CG2-CD1 3.96Å; V227-L316 WeakPolarHBondContact O-CD1 3.38Å
228G89.7Confident92.4Very high28 Ų2847.7 Ų47.729%0.28925%0.247SC..  trans-81162.8175.500000113.5N182 V231N182-G228 PolarHBondContact OD1-N 3.03Å; G228-V231 PolarHBondContact O-N 3.05Å
229V91Very high91.9Very high45 Ų4544.3 Ų44.327%0.27324%0.244SC..Hα-helixtrans-49.7-44.3179.3175.60000113.9V231 I232 S233 E315 L316 A319V229-V231 PolarHBondContact O-N 2.49Å; V229-V231 VanDerWaalsContact O-N 3.11Å; V229-I232 PolarHBondContact O-N 3.27Å; V229-S233 PolarHBondContact O-N 2.95Å; V229-S233 PolarHBondContact O-OG 2.86Å; V229-E315 HydrophobicContact CG2-CB 3.98Å; V229-L316 HydrophobicContact CG2-CD1 4.32Å; V229-A319 HydrophobicContact CG1-CB 3.85Å
230P92.5Very high91.3Very high34 Ų3443.7 Ų43.722%0.22124%0.242CC..Hα-helixtrans-61.5-26.8-175.9-23.333.4000114.5L181 I193 I232 S233 A234L181-P230 WeakPolarHBondContact O-CB 3.32Å; I193-P230 HydrophobicContact CD1-CB 4.12Å; P230-I232 VanDerWaalsContact C-N 3.34Å; P230-S233 PolarHBondContact O-N 3.18Å; P230-A234 WeakPolarHBondContact O-CB 3.37Å; P230-A234 PolarHBondContact O-N 3.34Å
231V94.1Very high90.2Very high1 Ų149.3 Ų49.31%0.00628%0.276CS..Hα-helixtrans-67.3-38.9176.1-178.60000110.7L181 N182 I216 V227 G228 V229L181-V231 HydrophobicContact CB-CG2 3.98Å; N182-V231 HydrophobicContact CB-CG2 3.9Å; I216-V231 HydrophobicContact CG2-CG1 3.74Å; V227-V231 HydrophobicContact CB-CB 4.3Å; V227-V231 HydrophobicContact CB-CG1 4.45Å; V227-V231 HydrophobicContact CB-CG2 4.32Å; V227-V231 HydrophobicContact CG2-CB 4.42Å; V227-V231 HydrophobicContact CG2-CG1 4.47Å; G228-V231 PolarHBondContact O-N 3.05Å; V229-V231 PolarHBondContact O-N 2.49Å; V229-V231 VanDerWaalsContact O-N 3.11Å
232I93Very high89.3Confident0 Ų046 Ų460%027%0.269CS..Hα-helixtrans-72.5-44.1176.9-56.1-162.4000109.8V227 V229 P230 A234 L235 S236 F304 I307 L316 A319 I320V227-I232 HydrophobicContact CG2-CG1 4.48Å; V229-I232 PolarHBondContact O-N 3.27Å; P230-I232 VanDerWaalsContact C-N 3.34Å; I232-A234 PolarHBondContact O-N 3.26Å; I232-L235 PolarHBondContact O-N 3.14Å; I232-S236 PolarHBondContact O-N 3.36Å; I232-S236 PolarHBondContact O-OG 3.3Å; I232-F304 HydrophobicContact CG2-CD1 4.38Å; I232-F304 HydrophobicContact CG2-CE1 3.7Å; I232-F304 HydrophobicContact CG2-CZ 4.12Å; I232-I307 HydrophobicContact CD1-CD1 3.82Å; I232-I307 HydrophobicContact CD1-CG2 4.23Å; I232-I307 HydrophobicContact CG1-CD1 4.15Å; I232-L316 HydrophobicContact CD1-CD1 3.22Å; I232-L316 HydrophobicContact CD1-CD2 4.27Å; I232-L316 HydrophobicContact CD1-CG 3.51Å; I232-L316 HydrophobicContact CG1-CD1 3.87Å; I232-A319 HydrophobicContact CB-CB 4.47Å; I232-A319 HydrophobicContact CG2-CB 4.22Å; I232-I320 HydrophobicContact CD1-CD1 3.82Å; I232-I320 HydrophobicContact CD1-CG1 3.48Å; I232-I320 VanDerWaalsContact CD1-CG1 3.48Å; I232-I320 HydrophobicContact CG2-CG1 4.02Å
233S91Very high88.3Confident41 Ų4143.4 Ų43.429%0.28725%0.249SC..Hα-helixtrans-54-43175.4-53.70000111.5V229 P230 L235 S236 C237V229-S233 PolarHBondContact O-N 2.95Å; V229-S233 PolarHBondContact O-OG 2.86Å; P230-S233 PolarHBondContact O-N 3.18Å; S233-L235 VanDerWaalsContact C-N 3.31Å; S233-L235 PolarHBondContact O-N 3.42Å; S233-S236 WeakPolarHBondContact O-CB 3.49Å; S233-S236 PolarHBondContact O-N 2.95Å; S233-S236 VanDerWaalsContact O-N 3.13Å; S233-C237 PolarHBondContact O-N 2.83Å; S233-C237 PolarHBondContact O-SG 3.34Å
234A93.1Very high87.3Confident0 Ų043.4 Ų43.40%025%0.251CS..Hα-helixtrans-59.1-36.5176.500000113.6L181 I193 L196 F200 I216 P230 I232 C237L181-A234 HydrophobicContact CD1-CB 4.01Å; I193-A234 HydrophobicContact CG1-CB 4.43Å; L196-A234 HydrophobicContact CD1-CB 3.9Å; F200-A234 WeakPolarHBondContact CE2-O 3.33Å; I216-A234 HydrophobicContact CD1-CB 4.34Å; P230-A234 WeakPolarHBondContact O-CB 3.37Å; P230-A234 PolarHBondContact O-N 3.34Å; I232-A234 PolarHBondContact O-N 3.26Å; A234-C237 WeakPolarHBondContact O-CB 3.42Å
235L94.6Very high86Confident2 Ų246.6 Ų46.61%0.0125%0.25CC..Hα-helixtrans-73.6-36.8175.2-68175000111.9C213 I216 I232 S233 C237 V238 I300 V303 F304 Y327C213-L235 HydrophobicContact CB-CD2 4.41Å; I216-L235 HydrophobicContact CB-CD2 4.1Å; I216-L235 HydrophobicContact CD1-CD2 3.93Å; I216-L235 HydrophobicContact CD1-CG 4.46Å; I216-L235 HydrophobicContact CG2-CD1 3.97Å; I216-L235 HydrophobicContact CG2-CD2 3.91Å; I216-L235 HydrophobicContact CG2-CG 3.94Å; I232-L235 PolarHBondContact O-N 3.14Å; S233-L235 VanDerWaalsContact C-N 3.31Å; S233-L235 PolarHBondContact O-N 3.42Å; L235-C237 PolarHBondContact O-N 3.43Å; L235-V238 PolarHBondContact O-N 3.44Å; L235-I300 HydrophobicContact CB-CG2 4.42Å; L235-I300 HydrophobicContact CD2-CG1 4.34Å; L235-V303 HydrophobicContact CD1-CB 4.1Å; L235-V303 HydrophobicContact CD1-CG1 3.71Å; L235-F304 HydrophobicContact CB-CE1 3.84Å; L235-F304 HydrophobicContact CB-CZ 4.06Å; L235-F304 HydrophobicContact CD1-CE1 4.01Å; L235-Y327 PolarHBondContact O-OH 3.18Å
236S92.2Very high84.3Confident20 Ų2055.2 Ų55.214%0.1429%0.291CS..Hα-helixtrans-65.7-18.3177.2-56.70000113.7I232 S233 V238 G323 K326 Y327I232-S236 PolarHBondContact O-N 3.36Å; I232-S236 PolarHBondContact O-OG 3.3Å; S233-S236 WeakPolarHBondContact O-CB 3.49Å; S233-S236 PolarHBondContact O-N 2.95Å; S233-S236 VanDerWaalsContact O-N 3.13Å; S236-V238 VanDerWaalsContact C-N 3.26Å; S236-V238 PolarHBondContact O-N 3.38Å; S236-G323 WeakPolarHBondContact OG-CA 3.41Å; S236-K326 WeakPolarHBondContact O-CD 3.27Å; S236-K326 PolarHBondContact O-NZ 2.88Å; S236-Y327 PolarHBondContact O-OH 2.75Å
237C91Very high82.3Confident27 Ų2755 Ų5518%0.18229%0.292CS..THydrogen-bonded Turntrans-66.8-26.3178.1-66.50000113.4N197 F200 S233 A234 L235 S239 K326N197-C237 WeakPolarHBondContact OD1-CB 3.36Å; N197-C237 PolarHBondContact OD1-SG 2.86Å; F200-C237 HydrophobicContact CD2-CB 4.01Å; F200-C237 HydrophobicContact CE2-CB 4.09Å; S233-C237 PolarHBondContact O-N 2.83Å; S233-C237 PolarHBondContact O-SG 3.34Å; A234-C237 WeakPolarHBondContact O-CB 3.42Å; L235-C237 PolarHBondContact O-N 3.43Å; C237-S239 PolarHBondContact O-N 2.59Å; C237-S239 PolarHBondContact O-OG 2.85Å; C237-K326 PolarHBondContact O-NZ 3.5Å
238V92Very high79.8Confident3 Ų364.4 Ų64.42%0.01833%0.332CS..  trans-63.9123.5-179.8-174.80000110.1F200 T209 L235 S236 I240 V296 I300 K326 Y327F200-V238 HydrophobicContact CD1-CG2 4.34Å; F200-V238 HydrophobicContact CD2-CG2 3.73Å; F200-V238 HydrophobicContact CE1-CG2 4.28Å; F200-V238 HydrophobicContact CE2-CG2 3.66Å; F200-V238 HydrophobicContact CG-CG2 4.08Å; F200-V238 HydrophobicContact CZ-CG2 3.95Å; T209-V238 HydrophobicContact CG2-CG1 3.91Å; T209-V238 HydrophobicContact CG2-CG2 4.08Å; L235-V238 PolarHBondContact O-N 3.44Å; S236-V238 VanDerWaalsContact C-N 3.26Å; S236-V238 PolarHBondContact O-N 3.38Å; V238-I240 HydrophobicContact CG1-CD1 4.01Å; V238-I240 HydrophobicContact CG1-CG1 3.72Å; V238-V296 HydrophobicContact CG1-CG1 4.03Å; V238-I300 HydrophobicContact CB-CD1 3.93Å; V238-I300 HydrophobicContact CG1-CD1 4.28Å; V238-I300 HydrophobicContact CG2-CD1 4.01Å; V238-K326 WeakPolarHBondContact O-CE 3.33Å; V238-K326 PolarHBondContact O-NZ 2.96Å; V238-K326 VanDerWaalsContact O-NZ 3.16Å; V238-Y327 VanDerWaalsContact O-CE1 3.27Å; V238-Y327 WeakPolarHBondContact O-CE1 3.23Å; V238-Y327 PolarHBondContact O-OH 3.25Å
239S85.4Confident77.3Confident67 Ų6771.1 Ų71.147%0.46936%0.356SS..  trans-100.5103.4-179.5-65.10000110.3R206 C237 K326R206-S239 PolarHBondContact NH2-O 2.68Å; C237-S239 PolarHBondContact O-N 2.59Å; C237-S239 PolarHBondContact O-OG 2.85Å; S239-K326 PolarHBondContact OG-NZ 3.44Å
240I81.3Confident74.6Confident14 Ų1472.6 Ų72.67%0.07238%0.38CS..  trans-112.8120.6178.7-48.4-169.9000107.9V238 V243 N293 V296 M297 Y327 L330V238-I240 HydrophobicContact CG1-CD1 4.01Å; V238-I240 HydrophobicContact CG1-CG1 3.72Å; I240-V243 HydrophobicContact CG2-CG2 3.71Å; I240-N293 HydrophobicContact CG2-CB 4.01Å; I240-V296 HydrophobicContact CD1-CB 4.16Å; I240-V296 HydrophobicContact CD1-CG1 3.87Å; I240-M297 HydrophobicContact CD1-CB 4.02Å; I240-M297 HydrophobicContact CD1-SD 4.33Å; I240-Y327 HydrophobicContact CG1-CE1 4.49Å; I240-L330 HydrophobicContact CB-CD1 3.74Å; I240-L330 HydrophobicContact CG2-CD1 3.54Å; I240-L330 WeakPolarHBondContact O-CD1 3.41Å
241T73Confident71.7Confident118 Ų11880 Ų8072%0.72441%0.409SS*.  trans-97.6-41.4179.4-47.30000111.7
242E75.1Confident68.9Low111 Ų11186 Ų8652%0.51945%0.448SS..  trans-133.4146-175.8-65.8178.4-170.600111L290 N293E242-L290 HydrophobicContact CB-CD2 3.75Å; E242-N293 WeakPolarHBondContact O-CB 3.2Å; E242-N293 PolarHBondContact O-ND2 3.46Å
243V73.8Confident66.1Low27 Ų2796.1 Ų96.116%0.16449%0.492CS..  trans-135.4150179.4173.50000106.8I240 R245 N293 T294 M297 L330I240-V243 HydrophobicContact CG2-CG2 3.71Å; V243-R245 PolarHBondContact O-N 2.71Å; V243-N293 HydrophobicContact CG2-CB 4.24Å; V243-T294 HydrophobicContact CG1-CG2 3.88Å; V243-T294 WeakPolarHBondContact CG1-OG1 3.35Å; V243-M297 HydrophobicContact CG2-CB 4.35Å; V243-M297 HydrophobicContact CG2-CG 4.46Å; V243-L330 HydrophobicContact CB-CD2 4.15Å; V243-L330 HydrophobicContact CG2-CB 4.42Å; V243-L330 HydrophobicContact CG2-CD1 3.9Å; V243-L330 HydrophobicContact CG2-CD2 3.78Å; V243-L330 HydrophobicContact CG2-CG 4.25Å
244E69.1Low63.6Low89 Ų89101 Ų10142%0.41651%0.514SS..  trans-59.6112.3178.6-165173.6-159.700110L290 K291 T294E244-L290 HydrophobicContact CB-CB 4Å; E244-K291 WeakPolarHBondContact OE1-CE 3.23Å; E244-K291 WeakPolarHBondContact OE2-CG 3.35Å; E244-T294 PolarHBondContact N-OG1 2.81Å
245R63.6Low61Low152 Ų152108.2 Ų108.257%0.57455%0.553SS**  trans-93141.2166.2-65.5-178.8179.6-177-2.7107.4V243 E247 K329V243-R245 PolarHBondContact O-N 2.71Å; R245-E247 HydrophobicContact CB-CG 4.44Å; R245-E247 PolarHBondContact O-N 2.9Å; R245-K329 PolarHBondContact NH2-O 3.08Å
246Q55.1Low58.5Low202 Ų202114.7 Ų114.794%0.94458%0.577SS**  trans-68.978.4178.6-64.2-177.32.600110.3
247E47.4Very low56.2Low161 Ų161124.8 Ų124.875%0.75261%0.612SS**PPolyproline II helixtrans-99.3133.6175.5-70.4-174.6-176.600110.8R245R245-E247 HydrophobicContact CB-CG 4.44Å; R245-E247 PolarHBondContact O-N 2.9Å
248K38Very low53.8Low211 Ų211131.2 Ų131.292%0.91764%0.644SS**PPolyproline II helixtrans-76.1122.2-178.1-67.4-179.7178.3176.10110.2G250K248-G250 PolarHBondContact O-N 3.43Å
249E37.6Very low51.5Low169 Ų169140.8 Ų140.879%0.7968%0.68SS**PPolyproline II helixtrans-58.7117.3-175.1-64.6-178.6172.100114.2
250G32.9Very low50.3Low76 Ų76141.2 Ų141.278%0.78468%0.682SS**  trans-91.3109.8168.500000111.7K248K248-G250 PolarHBondContact O-N 3.43Å
251K33Very low49.1Very low188 Ų188150.3 Ų150.382%0.81772%0.716SS**PPolyproline II helixtrans-75.3130.1179.5-71179.1178.4176.10112.4
252P35.7Very low48.5Very low128 Ų128154.4 Ų154.483%0.83172%0.718SS**PPolyproline II helixtrans-84.2128.4176.530.4-29.6000112.2
253K33.1Very low47.6Very low213 Ų213157 Ų15793%0.92673%0.73SS**PPolyproline II helixtrans-92129.9170.4-80.1176.5175.9173.70109.5
254L39.6Very low46.9Very low143 Ų143161.6 Ų161.675%0.74974%0.744SS**  trans-124.3115.5-176-141.6151.8000110.1
255D38.1Very low46.7Very low151 Ų151162.6 Ų162.681%0.80775%0.748SS**  trans-95.3138.5-173.3-138.1-16.9000111.3
256R41.5Very low46.9Very low139 Ų139161.2 Ų161.253%0.52575%0.748SS.*  trans-133.9127-169.7-91.8177.9163.6-170-8.9111.2K272R256-K272 VanDerWaalsContact CZ-CD 3.42Å
257R43.8Very low47.5Very low231 Ų231154.3 Ų154.387%0.87272%0.722SS**  trans-126.8126.2172.1-71-173.8179.4-1730.2114.6
258L41.8Very low48.8Very low162 Ų162152 Ų15285%0.84871%0.709SS**  trans46.3100.9138.1-53.5176.3000121.3
259R41.9Very low50.7Low205 Ų205147.4 Ų147.477%0.77469%0.692SS**  trans-153.4166.8140.2-71.6-160.9178.6-176.7-3.1109.2
260S60.3Low52.3Low75 Ų75144.8 Ų144.852%0.52468%0.68SS.*  trans-36.3145.4-165.2640000118.8R264S260-R264 PolarHBondContact OG-NH1 3.15Å; S260-R264 VanDerWaalsContact OG-NH1 3.16Å
261R57Low54.5Low205 Ų205149.8 Ų149.877%0.77468%0.675SS**SBendtrans-92.4-14.8-138.3-109.6-176.1179.8-169.51.3120K265R261-K265 WeakPolarHBondContact O-CD 3.27Å; R261-K265 WeakPolarHBondContact O-CE 3.22Å; R261-K265 WeakPolarHBondContact O-CG 3.35Å
262R61.1Low57Low204 Ų204143.9 Ų143.977%0.7765%0.65SS**SBendtrans-118.1-67.9-171.4-156.2175.2-179.6177.3-0.7114.6R264 K265 E266R262-R264 PolarHBondContact O-N 2.83Å; R262-K265 WeakPolarHBondContact O-CA 3.45Å; R262-K265 VanDerWaalsContact O-CB 3.3Å; R262-K265 WeakPolarHBondContact O-CB 3.35Å; R262-K265 PolarHBondContact O-N 2.92Å; R262-E266 PolarHBondContact O-N 3.38Å
263E56.1Low59Low166 Ų166142.3 Ų142.378%0.77663%0.634SS**Hα-helixtrans-69.4-36-176.6-67.8172.7173.200113.1K265 E266 S267E263-K265 PolarHBondContact O-N 3.49Å; E263-E266 PolarHBondContact O-N 3.31Å; E263-S267 PolarHBondContact O-N 3.09Å
264R58Low61.1Low123 Ų123137.2 Ų137.246%0.46461%0.613SS.*Hα-helixtrans-64.3-22.7168.7-82.5-179.8177.5157.9-3.3113S260 R262 K268S260-R264 PolarHBondContact OG-NH1 3.15Å; S260-R264 VanDerWaalsContact OG-NH1 3.16Å; R262-R264 PolarHBondContact O-N 2.83Å; R264-K268 WeakPolarHBondContact O-CB 3.38Å; R264-K268 WeakPolarHBondContact O-CD 3.15Å; R264-K268 WeakPolarHBondContact O-CG 3.46Å; R264-K268 PolarHBondContact O-N 3.44Å
265K65.5Low63.1Low111 Ų111136.7 Ų136.748%0.48361%0.605SS.*Hα-helixtrans-74.2-45175.4-78.8-172.2-171.5169.10110.7R261 R262 E263 K268 M269R261-K265 WeakPolarHBondContact O-CD 3.27Å; R261-K265 WeakPolarHBondContact O-CE 3.22Å; R261-K265 WeakPolarHBondContact O-CG 3.35Å; R262-K265 WeakPolarHBondContact O-CA 3.45Å; R262-K265 VanDerWaalsContact O-CB 3.3Å; R262-K265 WeakPolarHBondContact O-CB 3.35Å; R262-K265 PolarHBondContact O-N 2.92Å; E263-K265 PolarHBondContact O-N 3.49Å; K265-K268 PolarHBondContact O-N 3.38Å; K265-M269 VanDerWaalsContact O-CB 3.24Å; K265-M269 WeakPolarHBondContact O-CB 3.36Å; K265-M269 WeakPolarHBondContact O-CG 3.27Å; K265-M269 PolarHBondContact O-N 2.64Å
266E66.7Low65.2Low123 Ų123133 Ų13358%0.57558%0.582SS**Hα-helixtrans-63.7-55.4-177.3-76.4172.5-177.400111.9R262 E263 K268 M269 E270R262-E266 PolarHBondContact O-N 3.38Å; E263-E266 PolarHBondContact O-N 3.31Å; E266-K268 VanDerWaalsContact C-N 3.32Å; E266-K268 PolarHBondContact O-N 2.86Å; E266-M269 PolarHBondContact O-N 3.15Å; E266-E270 PolarHBondContact O-N 3.33Å
267S67.6Low67.1Low57 Ų57130.6 Ų130.640%0.39958%0.579SS.*Hα-helixtrans-63.2-34.7178.9-177.60000113.1E263 R271E263-S267 PolarHBondContact O-N 3.09Å; S267-R271 WeakPolarHBondContact O-CB 3.47Å; S267-R271 WeakPolarHBondContact O-CG 3.39Å; S267-R271 PolarHBondContact O-N 2.86Å
268K76.6Confident68.7Low112 Ų112122.3 Ų122.349%0.48756%0.559SS.*Hα-helixtrans-71.2-33.2172.6-75.6-178.5177.6-174.80112.7R264 K265 E266 K272R264-K268 WeakPolarHBondContact O-CB 3.38Å; R264-K268 WeakPolarHBondContact O-CD 3.15Å; R264-K268 WeakPolarHBondContact O-CG 3.46Å; R264-K268 PolarHBondContact O-N 3.44Å; K265-K268 PolarHBondContact O-N 3.38Å; E266-K268 VanDerWaalsContact C-N 3.32Å; E266-K268 PolarHBondContact O-N 2.86Å; K268-K272 WeakPolarHBondContact O-CB 3.35Å; K268-K272 PolarHBondContact O-N 3.19Å
269M76.2Confident70.5Confident114 Ų114119.2 Ų119.256%0.56254%0.54SS*.Hα-helixtrans-71.6-40.7175.8-77.7-159.8-54.600110.2K265 E266 K272 L273K265-M269 VanDerWaalsContact O-CB 3.24Å; K265-M269 WeakPolarHBondContact O-CB 3.36Å; K265-M269 WeakPolarHBondContact O-CG 3.27Å; K265-M269 PolarHBondContact O-N 2.64Å; E266-M269 PolarHBondContact O-N 3.15Å; M269-K272 PolarHBondContact O-N 3.09Å; M269-L273 WeakPolarHBondContact O-CB 3.36Å; M269-L273 PolarHBondContact O-N 2.91Å
270E72.1Confident72.2Confident114 Ų114112.7 Ų112.753%0.53352%0.524SS..Hα-helixtrans-65-48.8176.5-172.5178.1-166.100111.9E266 K272 L273 Q274E266-E270 PolarHBondContact O-N 3.33Å; E270-K272 VanDerWaalsContact C-N 3.28Å; E270-K272 PolarHBondContact O-N 3.48Å; E270-L273 PolarHBondContact O-N 2.98Å; E270-Q274 WeakPolarHBondContact O-CG 3.21Å; E270-Q274 PolarHBondContact O-N 3.36Å
271R79Confident72.9Confident181 Ų181115 Ų11568%0.68353%0.526SS*.Hα-helixtrans-62.3-36.5174.5-73.6-178178.6-174.50.8112.4S267 K275S267-R271 WeakPolarHBondContact O-CB 3.47Å; S267-R271 WeakPolarHBondContact O-CG 3.39Å; S267-R271 PolarHBondContact O-N 2.86Å; R271-K275 VanDerWaalsContact O-CB 3.26Å; R271-K275 WeakPolarHBondContact O-CB 3.48Å; R271-K275 PolarHBondContact O-N 2.67Å
272K84.7Confident73.4Confident65 Ų65109 Ų10928%0.28352%0.516SS..Hα-helixtrans-67.9-42.1175.3-162-150.8-158.9-139.40110.7R256 K268 M269 E270 K275 E276R256-K272 VanDerWaalsContact CZ-CD 3.42Å; K268-K272 WeakPolarHBondContact O-CB 3.35Å; K268-K272 PolarHBondContact O-N 3.19Å; M269-K272 PolarHBondContact O-N 3.09Å; E270-K272 VanDerWaalsContact C-N 3.28Å; E270-K272 PolarHBondContact O-N 3.48Å; K272-K275 PolarHBondContact O-N 3.3Å; K272-E276 WeakPolarHBondContact CD-OE1 3.37Å; K272-E276 WeakPolarHBondContact CE-OE1 3.48Å; K272-E276 HydrophobicContact CG-CG 4.43Å; K272-E276 IonicContact NZ-OE1 3.23Å; K272-E276 PolarHBondContact NZ-OE1 3.44Å; K272-E276 VanDerWaalsContact O-CB 3.27Å; K272-E276 WeakPolarHBondContact O-CB 3.41Å; K272-E276 WeakPolarHBondContact O-CG 2.98Å; K272-E276 PolarHBondContact O-N 3.37Å
273L78.2Confident74Confident95 Ų95103.5 Ų103.550%0.49750%0.501SS..Hα-helixtrans-65.5-45178.4-176.768.4000110.8M269 E270 K275 E276 M277M269-L273 WeakPolarHBondContact O-CB 3.36Å; M269-L273 PolarHBondContact O-N 2.91Å; E270-L273 PolarHBondContact O-N 2.98Å; L273-K275 VanDerWaalsContact C-N 3.35Å; L273-K275 PolarHBondContact O-N 2.87Å; L273-E276 CarbonylContact O-C 3.41Å; L273-E276 PolarHBondContact O-N 2.96Å; L273-M277 HydrophobicContact CG-CE 4.48Å; L273-M277 HydrophobicContact CG-CG 4.49Å; L273-M277 WeakPolarHBondContact O-CB 3.42Å; L273-M277 VanDerWaalsContact O-CG 3.24Å; L273-M277 WeakPolarHBondContact O-CG 3.3Å; L273-M277 PolarHBondContact O-N 2.79Å
274Q78Confident74.8Confident105 Ų105101.5 Ų101.549%0.49149%0.492SS..Hα-helixtrans-62.4-42.1175.2-74.7177.8-0.900112E270 M277 A278E270-Q274 WeakPolarHBondContact O-CG 3.21Å; E270-Q274 PolarHBondContact O-N 3.36Å; Q274-M277 HydrophobicContact CB-CE 4.41Å; Q274-M277 HydrophobicContact CG-CE 3.94Å; Q274-M277 PolarHBondContact O-N 3.33Å; Q274-A278 WeakPolarHBondContact O-CB 3.42Å; Q274-A278 PolarHBondContact O-N 3.08Å
275K80.9Confident75.8Confident132 Ų13298.4 Ų98.457%0.57449%0.486SS*.Hα-helixtrans-63.7-43.3173.9-177.4170.2172.8171.70111.5R271 K272 L273 A278 E279R271-K275 VanDerWaalsContact O-CB 3.26Å; R271-K275 WeakPolarHBondContact O-CB 3.48Å; R271-K275 PolarHBondContact O-N 2.67Å; K272-K275 PolarHBondContact O-N 3.3Å; L273-K275 VanDerWaalsContact C-N 3.35Å; L273-K275 PolarHBondContact O-N 2.87Å; K275-A278 PolarHBondContact O-N 3.29Å; K275-E279 WeakPolarHBondContact CE-OE1 3.35Å; K275-E279 HydrophobicContact CG-CG 4.39Å; K275-E279 WeakPolarHBondContact CG-OE1 3.47Å; K275-E279 IonicContact NZ-OE1 3.89Å; K275-E279 VanDerWaalsContact O-CB 3.31Å; K275-E279 WeakPolarHBondContact O-CB 3.38Å; K275-E279 VanDerWaalsContact O-CG 3.25Å; K275-E279 WeakPolarHBondContact O-CG 3.39Å; K275-E279 PolarHBondContact O-N 3.49Å
276E82.9Confident76.6Confident73 Ų7399.3 Ų99.334%0.34149%0.487SS..Hα-helixtrans-64.3-38.5174.8-75.7170.1176.800111.2K272 L273 T280K272-E276 WeakPolarHBondContact CD-OE1 3.37Å; K272-E276 WeakPolarHBondContact CE-OE1 3.48Å; K272-E276 HydrophobicContact CG-CG 4.43Å; K272-E276 IonicContact NZ-OE1 3.23Å; K272-E276 PolarHBondContact NZ-OE1 3.44Å; K272-E276 VanDerWaalsContact O-CB 3.27Å; K272-E276 WeakPolarHBondContact O-CB 3.41Å; K272-E276 WeakPolarHBondContact O-CG 2.98Å; K272-E276 PolarHBondContact O-N 3.37Å; L273-E276 CarbonylContact O-C 3.41Å; L273-E276 PolarHBondContact O-N 2.96Å; E276-T280 VanDerWaalsContact O-CB 3.29Å; E276-T280 WeakPolarHBondContact O-CB 3.24Å; E276-T280 WeakPolarHBondContact O-CG2 3.26Å; E276-T280 PolarHBondContact O-N 2.86Å; E276-T280 PolarHBondContact O-OG1 3.35Å
277M80.9Confident77.4Confident90 Ų9096.7 Ų96.744%0.44348%0.475SS..Hα-helixtrans-65.3-43.3173.9-74.6-169.3-56.500111.6L273 Q274 T280 Q281L273-M277 HydrophobicContact CG-CE 4.48Å; L273-M277 HydrophobicContact CG-CG 4.49Å; L273-M277 WeakPolarHBondContact O-CB 3.42Å; L273-M277 VanDerWaalsContact O-CG 3.24Å; L273-M277 WeakPolarHBondContact O-CG 3.3Å; L273-M277 PolarHBondContact O-N 2.79Å; Q274-M277 HydrophobicContact CB-CE 4.41Å; Q274-M277 HydrophobicContact CG-CE 3.94Å; Q274-M277 PolarHBondContact O-N 3.33Å; M277-T280 VanDerWaalsContact CA-OG1 3.27Å; M277-T280 WeakPolarHBondContact CA-OG1 3.46Å; M277-T280 PolarHBondContact O-N 3.23Å; M277-T280 PolarHBondContact O-OG1 2.89Å; M277-Q281 WeakPolarHBondContact O-CB 3.4Å; M277-Q281 VanDerWaalsContact O-CG 3.23Å; M277-Q281 WeakPolarHBondContact O-CG 3.45Å; M277-Q281 PolarHBondContact O-N 3.28Å
278A77.7Confident78.2Confident56 Ų5698.2 Ų98.246%0.46347%0.474SS..Hα-helixtrans-69-41.6177.700000112Q274 K275 S282Q274-A278 WeakPolarHBondContact O-CB 3.42Å; Q274-A278 PolarHBondContact O-N 3.08Å; K275-A278 PolarHBondContact O-N 3.29Å; A278-S282 WeakPolarHBondContact O-CB 3.39Å; A278-S282 PolarHBondContact O-N 3.13Å
279E79.9Confident78.6Confident97 Ų9798 Ų9845%0.45347%0.471SS..Hα-helixtrans-62.7-44.1174.5-75.6173.7-178.100110.8K275 S282 L283K275-E279 WeakPolarHBondContact CE-OE1 3.35Å; K275-E279 HydrophobicContact CG-CG 4.39Å; K275-E279 WeakPolarHBondContact CG-OE1 3.47Å; K275-E279 IonicContact NZ-OE1 3.89Å; K275-E279 VanDerWaalsContact O-CB 3.31Å; K275-E279 WeakPolarHBondContact O-CB 3.38Å; K275-E279 VanDerWaalsContact O-CG 3.25Å; K275-E279 WeakPolarHBondContact O-CG 3.39Å; K275-E279 PolarHBondContact O-N 3.49Å; E279-S282 PolarHBondContact O-N 3.05Å; E279-L283 WeakPolarHBondContact O-CB 3.16Å; E279-L283 WeakPolarHBondContact O-CD1 3.43Å; E279-L283 VanDerWaalsContact O-CG 3.24Å; E279-L283 WeakPolarHBondContact O-CG 3.4Å; E279-L283 PolarHBondContact O-N 3.08Å
280T78Confident79.2Confident69 Ų6993.6 Ų93.642%0.42345%0.449SS..Hα-helixtrans-67-42.5177.649.90000112.5E276 M277 L283 Q284E276-T280 VanDerWaalsContact O-CB 3.29Å; E276-T280 WeakPolarHBondContact O-CB 3.24Å; E276-T280 WeakPolarHBondContact O-CG2 3.26Å; E276-T280 PolarHBondContact O-N 2.86Å; E276-T280 PolarHBondContact O-OG1 3.35Å; M277-T280 VanDerWaalsContact CA-OG1 3.27Å; M277-T280 WeakPolarHBondContact CA-OG1 3.46Å; M277-T280 PolarHBondContact O-N 3.23Å; M277-T280 PolarHBondContact O-OG1 2.89Å; T280-L283 PolarHBondContact O-N 3.09Å; T280-Q284 WeakPolarHBondContact O-CB 3.17Å; T280-Q284 VanDerWaalsContact O-CG 3.23Å; T280-Q284 WeakPolarHBondContact O-CG 3.35Å; T280-Q284 PolarHBondContact O-N 3.18Å
281Q73.9Confident80Confident122 Ų12292.9 Ų92.957%0.5744%0.444SS*.Hα-helixtrans-64.4-40.1175.1-75176.2-400112.3M277 T285M277-Q281 WeakPolarHBondContact O-CB 3.4Å; M277-Q281 VanDerWaalsContact O-CG 3.23Å; M277-Q281 WeakPolarHBondContact O-CG 3.45Å; M277-Q281 PolarHBondContact O-N 3.28Å; Q281-T285 WeakPolarHBondContact O-CB 3.47Å; Q281-T285 PolarHBondContact O-N 3.29Å; Q281-T285 PolarHBondContact O-OG1 2.93Å
282S68.3Low80.4Confident81 Ų8185.5 Ų85.557%0.56642%0.418SS*.Hα-helixtrans-63.4-45.8176.3-176.90000111.6A278 E279 T285 R286A278-S282 WeakPolarHBondContact O-CB 3.39Å; A278-S282 PolarHBondContact O-N 3.13Å; E279-S282 PolarHBondContact O-N 3.05Å; S282-T285 PolarHBondContact O-N 3.05Å; S282-R286 PolarHBondContact O-N 2.83Å; S282-R286 VanDerWaalsContact O-N 3.1Å
283L72.2Confident80.7Confident87 Ų8783 Ų8346%0.45541%0.407SS..Hα-helixtrans-64-45.1177.2-72166.1000112.1E279 T280 T285 R286 E287E279-L283 WeakPolarHBondContact O-CB 3.16Å; E279-L283 WeakPolarHBondContact O-CD1 3.43Å; E279-L283 VanDerWaalsContact O-CG 3.24Å; E279-L283 WeakPolarHBondContact O-CG 3.4Å; E279-L283 PolarHBondContact O-N 3.08Å; T280-L283 PolarHBondContact O-N 3.09Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 2.79Å; L283-R286 PolarHBondContact O-N 3.13Å; L283-R286 VanDerWaalsContact O-N 3.14Å; L283-E287 WeakPolarHBondContact O-CG 3.41Å; L283-E287 PolarHBondContact O-N 3.3Å
284Q74.2Confident81.3Confident124 Ų12479.9 Ų79.958%0.57939%0.392SS*.Hα-helixtrans-58.7-39.3176.1-77176.5-0.500112.2T280 E287 K288T280-Q284 WeakPolarHBondContact O-CB 3.17Å; T280-Q284 VanDerWaalsContact O-CG 3.23Å; T280-Q284 WeakPolarHBondContact O-CG 3.35Å; T280-Q284 PolarHBondContact O-N 3.18Å; Q284-E287 PolarHBondContact O-N 3Å; Q284-K288 WeakPolarHBondContact O-CB 3.33Å; Q284-K288 PolarHBondContact O-N 2.99Å
285T78.2Confident82Confident58 Ų5878.4 Ų78.436%0.35639%0.387SS..Hα-helixtrans-64.7-43.8177.4-56.40000110.8Q281 S282 L283 K288 R289Q281-T285 WeakPolarHBondContact O-CB 3.47Å; Q281-T285 PolarHBondContact O-N 3.29Å; Q281-T285 PolarHBondContact O-OG1 2.93Å; S282-T285 PolarHBondContact O-N 3.05Å; L283-T285 VanDerWaalsContact C-N 3.26Å; L283-T285 PolarHBondContact O-N 2.79Å; T285-K288 PolarHBondContact O-N 2.76Å; T285-R289 WeakPolarHBondContact O-CG 3.44Å; T285-R289 PolarHBondContact O-N 2.91Å
286R82.5Confident82.6Confident130 Ų13072.1 Ų72.149%0.49136%0.36SS..Hα-helixtrans-63.1-45.8176.4-170.3179.972106.41.8111.7S282 L283 R289 L290S282-R286 PolarHBondContact O-N 2.83Å; S282-R286 VanDerWaalsContact O-N 3.1Å; L283-R286 PolarHBondContact O-N 3.13Å; L283-R286 VanDerWaalsContact O-N 3.14Å; R286-R289 WeakPolarHBondContact O-CB 3.31Å; R286-R289 PolarHBondContact O-N 3.28Å; R286-L290 HydrophobicContact CG-CD1 4.28Å; R286-L290 WeakPolarHBondContact O-CG 3.35Å; R286-L290 PolarHBondContact O-N 2.96Å
287E83.7Confident83Confident69 Ų6968.8 Ų68.832%0.32235%0.345SS..Hα-helixtrans-61.9-44.1177.6-74.3175.7-161.500112.4L283 Q284 R289 L290 K291L283-E287 WeakPolarHBondContact O-CG 3.41Å; L283-E287 PolarHBondContact O-N 3.3Å; Q284-E287 PolarHBondContact O-N 3Å; E287-R289 VanDerWaalsContact C-N 3.3Å; E287-R289 PolarHBondContact O-N 3.42Å; E287-L290 PolarHBondContact O-N 2.95Å; E287-K291 WeakPolarHBondContact O-CB 3.32Å; E287-K291 WeakPolarHBondContact O-CG 3.36Å; E287-K291 PolarHBondContact O-N 2.87Å
288K84.7Confident83.5Confident89 Ų8968.8 Ų68.839%0.38735%0.346SS..Hα-helixtrans-57.8-45.4175-174.4-167.9171.2-156.40110.5D205 D207 Q284 T285 K291 M292D205-K288 IonicContact OD2-NZ 2.68Å; D205-K288 PolarHBondContact OD2-NZ 3.23Å; D207-K288 IonicContact OD2-NZ 2.74Å; Q284-K288 WeakPolarHBondContact O-CB 3.33Å; Q284-K288 PolarHBondContact O-N 2.99Å; T285-K288 PolarHBondContact O-N 2.76Å; K288-K291 PolarHBondContact O-N 3.18Å; K288-M292 PolarHBondContact O-N 3.41Å
289R84.2Confident84.2Confident108 Ų10868.1 Ų68.141%0.40833%0.334SS..Hα-helixtrans-62.4-47.1177.3-72.6176.2-173.9170.44111.8T285 R286 E287 K291 M292 N293T285-R289 WeakPolarHBondContact O-CG 3.44Å; T285-R289 PolarHBondContact O-N 2.91Å; R286-R289 WeakPolarHBondContact O-CB 3.31Å; R286-R289 PolarHBondContact O-N 3.28Å; E287-R289 VanDerWaalsContact C-N 3.3Å; E287-R289 PolarHBondContact O-N 3.42Å; R289-K291 VanDerWaalsContact C-N 3.33Å; R289-K291 PolarHBondContact O-N 3.06Å; R289-M292 PolarHBondContact O-N 3.32Å; R289-N293 WeakPolarHBondContact O-CB 3.38Å; R289-N293 PolarHBondContact O-N 3.08Å; R289-N293 PolarHBondContact O-OD1 3.47Å
290L88.1Confident84.9Confident20 Ų2063.6 Ų63.611%0.10531%0.312CS..Hα-helixtrans-59.1-45178.1-71.3173.5000111.4E242 E244 R286 E287 M292 N293 T294E242-L290 HydrophobicContact CB-CD2 3.75Å; E244-L290 HydrophobicContact CB-CB 4Å; R286-L290 HydrophobicContact CG-CD1 4.28Å; R286-L290 WeakPolarHBondContact O-CG 3.35Å; R286-L290 PolarHBondContact O-N 2.96Å; E287-L290 PolarHBondContact O-N 2.95Å; L290-M292 VanDerWaalsContact C-N 3.35Å; L290-M292 PolarHBondContact O-N 2.95Å; L290-N293 WeakPolarHBondContact O-CB 3.35Å; L290-N293 PolarHBondContact O-N 3.04Å; L290-T294 PolarHBondContact O-N 2.95Å; L290-T294 PolarHBondContact O-OG1 3.38Å
291K88.9Confident85.6Confident99 Ų9960.7 Ų60.743%0.4329%0.294SS..Hα-helixtrans-58.1-46.1174.4-75167.5-177.7167.60111.9E244 E287 K288 R289 T294 L295E244-K291 WeakPolarHBondContact OE1-CE 3.23Å; E244-K291 WeakPolarHBondContact OE2-CG 3.35Å; E287-K291 WeakPolarHBondContact O-CB 3.32Å; E287-K291 WeakPolarHBondContact O-CG 3.36Å; E287-K291 PolarHBondContact O-N 2.87Å; K288-K291 PolarHBondContact O-N 3.18Å; R289-K291 VanDerWaalsContact C-N 3.33Å; R289-K291 PolarHBondContact O-N 3.06Å; K291-T294 WeakPolarHBondContact O-CB 3.35Å; K291-T294 PolarHBondContact O-N 2.86Å; K291-L295 WeakPolarHBondContact O-CG 3.43Å; K291-L295 PolarHBondContact O-N 3.21Å; K291-L295 VanDerWaalsContact O-N 3.11Å
292M89.1Confident86.5Confident27 Ų2760.2 Ų60.213%0.13329%0.291CS..Hα-helixtrans-66.9-39.9179.5-145.964.477.300111.7R206 D207 L210 K288 R289 L290 T294 L295 V296R206-M292 HydrophobicContact CB-CB 4.34Å; R206-M292 HydrophobicContact CB-CG 4.02Å; D207-M292 WeakPolarHBondContact OD1-CE 3.49Å; L210-M292 HydrophobicContact CD2-SD 3.8Å; K288-M292 PolarHBondContact O-N 3.41Å; R289-M292 PolarHBondContact O-N 3.32Å; L290-M292 VanDerWaalsContact C-N 3.35Å; L290-M292 PolarHBondContact O-N 2.95Å; M292-T294 VanDerWaalsContact C-N 3.32Å; M292-T294 PolarHBondContact O-N 3.49Å; M292-L295 PolarHBondContact O-N 2.9Å; M292-L295 VanDerWaalsContact O-N 3.17Å; M292-L295 HydrophobicContact SD-CD1 4.03Å; M292-V296 WeakPolarHBondContact O-CG2 3.39Å; M292-V296 PolarHBondContact O-N 3.16Å
293N91.2Very high87.7Confident12 Ų1256.4 Ų56.46%0.06426%0.264CS..Hα-helixtrans-58.1-44.7173.5-63.8-2.5000111.2R206 I240 E242 V243 R289 L290 L295 V296 M297R206-N293 WeakPolarHBondContact CD-OD1 3.31Å; R206-N293 PolarHBondContact NE-OD1 3.39Å; R206-N293 VanDerWaalsContact NE-OD1 3.08Å; R206-N293 PolarHBondContact NH1-ND2 3.46Å; R206-N293 PolarHBondContact NH1-OD1 3.1Å; I240-N293 HydrophobicContact CG2-CB 4.01Å; E242-N293 WeakPolarHBondContact O-CB 3.2Å; E242-N293 PolarHBondContact O-ND2 3.46Å; V243-N293 HydrophobicContact CG2-CB 4.24Å; R289-N293 WeakPolarHBondContact O-CB 3.38Å; R289-N293 PolarHBondContact O-N 3.08Å; R289-N293 PolarHBondContact O-OD1 3.47Å; L290-N293 WeakPolarHBondContact O-CB 3.35Å; L290-N293 PolarHBondContact O-N 3.04Å; N293-L295 VanDerWaalsContact C-N 3.34Å; N293-L295 PolarHBondContact O-N 3.21Å; N293-V296 PolarHBondContact O-N 2.9Å; N293-M297 WeakPolarHBondContact O-CB 3.23Å; N293-M297 PolarHBondContact O-N 3.4Å
294T89.5Confident88.7Confident30 Ų3052.3 Ų52.318%0.18424%0.242CC..Hα-helixtrans-58.5-44.8175.5-48.30000111.5V243 E244 L290 K291 M292 M297 N298V243-T294 HydrophobicContact CG1-CG2 3.88Å; V243-T294 WeakPolarHBondContact CG1-OG1 3.35Å; E244-T294 PolarHBondContact N-OG1 2.81Å; L290-T294 PolarHBondContact O-N 2.95Å; L290-T294 PolarHBondContact O-OG1 3.38Å; K291-T294 WeakPolarHBondContact O-CB 3.35Å; K291-T294 PolarHBondContact O-N 2.86Å; M292-T294 VanDerWaalsContact C-N 3.32Å; M292-T294 PolarHBondContact O-N 3.49Å; T294-M297 PolarHBondContact O-N 3.16Å; T294-N298 WeakPolarHBondContact O-CB 3.48Å; T294-N298 PolarHBondContact O-N 2.87Å; T294-N298 PolarHBondContact O-ND2 2.73Å
295L92.7Very high89.5Confident74 Ų7448.3 Ų48.339%0.38722%0.223SC..Hα-helixtrans-64.3-46.6178.7-68.4177.3000112.2L210 K291 M292 N293 M297 N298 E299L210-L295 HydrophobicContact CD1-CB 4.11Å; L210-L295 HydrophobicContact CD2-CB 4.22Å; L210-L295 HydrophobicContact CD2-CD1 4.23Å; K291-L295 WeakPolarHBondContact O-CG 3.43Å; K291-L295 PolarHBondContact O-N 3.21Å; K291-L295 VanDerWaalsContact O-N 3.11Å; M292-L295 PolarHBondContact O-N 2.9Å; M292-L295 VanDerWaalsContact O-N 3.17Å; M292-L295 HydrophobicContact SD-CD1 4.03Å; N293-L295 VanDerWaalsContact C-N 3.34Å; N293-L295 PolarHBondContact O-N 3.21Å; L295-M297 VanDerWaalsContact C-N 3.32Å; L295-M297 PolarHBondContact O-N 3.46Å; L295-N298 PolarHBondContact O-N 3.45Å; L295-E299 VanDerWaalsContact O-CG 3.31Å; L295-E299 WeakPolarHBondContact O-CG 3.05Å; L295-E299 PolarHBondContact O-N 3.08Å; L295-E299 VanDerWaalsContact O-N 3.1Å
296V93.7Very high90.1Very high0 Ų049.8 Ų49.80%023%0.225CC..Hα-helixtrans-60.7-46.2177.2176.10000110.2R206 T209 L210 V238 I240 M292 N293 N298 E299 I300R206-V296 HydrophobicContact CB-CG2 4.47Å; T209-V296 HydrophobicContact CG2-CG1 4.07Å; T209-V296 HydrophobicContact CG2-CG2 4.39Å; L210-V296 HydrophobicContact CB-CG2 3.76Å; L210-V296 HydrophobicContact CD1-CG2 3.9Å; L210-V296 HydrophobicContact CG-CG2 4.38Å; V238-V296 HydrophobicContact CG1-CG1 4.03Å; I240-V296 HydrophobicContact CD1-CB 4.16Å; I240-V296 HydrophobicContact CD1-CG1 3.87Å; M292-V296 WeakPolarHBondContact O-CG2 3.39Å; M292-V296 PolarHBondContact O-N 3.16Å; N293-V296 PolarHBondContact O-N 2.9Å; V296-N298 PolarHBondContact O-N 3.26Å; V296-E299 PolarHBondContact O-N 3.34Å; V296-I300 HydrophobicContact CG1-CD1 3.79Å; V296-I300 HydrophobicContact CG1-CG1 4.46Å; V296-I300 WeakPolarHBondContact O-CG1 3.47Å; V296-I300 PolarHBondContact O-N 3.42Å
297M91.8Very high90.6Very high3 Ų343.6 Ų43.62%0.01520%0.201CC..Hα-helixtrans-62.6-45-179-173.758.1-165.800112I240 V243 N293 T294 L295 E299 I300 L301 Y327 L330I240-M297 HydrophobicContact CD1-CB 4.02Å; I240-M297 HydrophobicContact CD1-SD 4.33Å; V243-M297 HydrophobicContact CG2-CB 4.35Å; V243-M297 HydrophobicContact CG2-CG 4.46Å; N293-M297 WeakPolarHBondContact O-CB 3.23Å; N293-M297 PolarHBondContact O-N 3.4Å; T294-M297 PolarHBondContact O-N 3.16Å; L295-M297 VanDerWaalsContact C-N 3.32Å; L295-M297 PolarHBondContact O-N 3.46Å; M297-E299 VanDerWaalsContact C-N 3.32Å; M297-E299 PolarHBondContact O-N 3.43Å; M297-I300 PolarHBondContact O-N 3.21Å; M297-L301 HydrophobicContact CE-CD1 3.51Å; M297-L301 HydrophobicContact CE-CD2 3.51Å; M297-L301 HydrophobicContact CE-CG 3.33Å; M297-L301 HydrophobicContact CG-CD1 4.39Å; M297-L301 HydrophobicContact CG-CG 4.48Å; M297-L301 WeakPolarHBondContact O-CB 3.49Å; M297-L301 WeakPolarHBondContact O-CG 3.45Å; M297-L301 PolarHBondContact O-N 3.48Å; M297-L301 HydrophobicContact SD-CG 4.32Å; M297-Y327 VanDerWaalsContact CE-CB 3.4Å; M297-Y327 HydrophobicContact CE-CD1 4.26Å; M297-Y327 HydrophobicContact CE-CD2 4.35Å; M297-Y327 HydrophobicContact CE-CG 3.78Å; M297-Y327 HydrophobicContact SD-CD1 3.95Å; M297-Y327 HydrophobicContact SD-CG 3.99Å; M297-L330 HydrophobicContact CE-CB 3.99Å; M297-L330 HydrophobicContact CG-CB 4.45Å; M297-L330 HydrophobicContact SD-CB 4.47Å; M297-L330 HydrophobicContact SD-CD1 4.14Å
298N91.1Very high90.8Very high89 Ų8941.2 Ų41.248%0.47619%0.191SC..Hα-helixtrans-61.2-40.5176.8-74.7-16.5000112T294 L295 V296 F302T294-N298 WeakPolarHBondContact O-CB 3.48Å; T294-N298 PolarHBondContact O-N 2.87Å; T294-N298 PolarHBondContact O-ND2 2.73Å; L295-N298 PolarHBondContact O-N 3.45Å; V296-N298 PolarHBondContact O-N 3.26Å; N298-F302 WeakPolarHBondContact O-CB 3.47Å; N298-F302 PolarHBondContact O-N 3.31Å
299E92.8Very high90.8Very high43 Ų4345.6 Ų45.620%0.20121%0.21CC..Hα-helixtrans-63.8-46.4175.5-70.8-78.8-173.300111.7L210 R214 H217 L295 V296 M297 F302 V303L210-E299 HydrophobicContact CD1-CG 4.18Å; R214-E299 HydrophobicContact CG-CG 4.19Å; R214-E299 WeakPolarHBondContact CG-OE1 3.16Å; R214-E299 IonicContact NE-OE1 3.13Å; R214-E299 PolarHBondContact NE-OE1 3.39Å; H217-E299 IonicContact CE1-OE2 2.59Å; H217-E299 IonicContact CG-OE2 3.19Å; H217-E299 IonicContact ND1-OE2 3.5Å; H217-E299 PolarHBondContact ND1-OE2 2.91Å; L295-E299 VanDerWaalsContact O-CG 3.31Å; L295-E299 WeakPolarHBondContact O-CG 3.05Å; L295-E299 PolarHBondContact O-N 3.08Å; L295-E299 VanDerWaalsContact O-N 3.1Å; V296-E299 PolarHBondContact O-N 3.34Å; M297-E299 VanDerWaalsContact C-N 3.32Å; M297-E299 PolarHBondContact O-N 3.43Å; E299-F302 PolarHBondContact O-N 2.72Å; E299-V303 WeakPolarHBondContact O-CG2 3.42Å; E299-V303 PolarHBondContact O-N 3.1Å; E299-V303 VanDerWaalsContact O-N 3.14Å
300I94.4Very high90.9Very high1 Ų143.5 Ų43.51%0.00521%0.209CC..Hα-helixtrans-62.4-51.2178.7-67168.9000110.7L235 V238 V296 M297 F302 V303 F304 Y327L235-I300 HydrophobicContact CB-CG2 4.42Å; L235-I300 HydrophobicContact CD2-CG1 4.34Å; V238-I300 HydrophobicContact CB-CD1 3.93Å; V238-I300 HydrophobicContact CG1-CD1 4.28Å; V238-I300 HydrophobicContact CG2-CD1 4.01Å; V296-I300 HydrophobicContact CG1-CD1 3.79Å; V296-I300 HydrophobicContact CG1-CG1 4.46Å; V296-I300 WeakPolarHBondContact O-CG1 3.47Å; V296-I300 PolarHBondContact O-N 3.42Å; M297-I300 PolarHBondContact O-N 3.21Å; I300-F302 VanDerWaalsContact C-N 3.29Å; I300-F302 PolarHBondContact O-N 2.78Å; I300-V303 PolarHBondContact O-N 3.26Å; I300-F304 HydrophobicContact CG2-CD1 4.45Å; I300-F304 HydrophobicContact CG2-CD2 4.12Å; I300-F304 HydrophobicContact CG2-CE1 4.15Å; I300-F304 HydrophobicContact CG2-CE2 3.8Å; I300-F304 HydrophobicContact CG2-CG 4.43Å; I300-F304 HydrophobicContact CG2-CZ 3.82Å; I300-F304 PolarHBondContact O-N 2.72Å; I300-Y327 HydrophobicContact CG2-CD2 4.4Å; I300-Y327 HydrophobicContact CG2-CE2 3.84Å
301L91.8Very high90.7Very high9 Ų943.9 Ų43.95%0.04721%0.212CC..Hα-helixtrans-60.1-40.6179.1-76.9-174.8000111.9M297 V303 F304 F305 L324 I331M297-L301 HydrophobicContact CE-CD1 3.51Å; M297-L301 HydrophobicContact CE-CD2 3.51Å; M297-L301 HydrophobicContact CE-CG 3.33Å; M297-L301 HydrophobicContact CG-CD1 4.39Å; M297-L301 HydrophobicContact CG-CG 4.48Å; M297-L301 WeakPolarHBondContact O-CB 3.49Å; M297-L301 WeakPolarHBondContact O-CG 3.45Å; M297-L301 PolarHBondContact O-N 3.48Å; M297-L301 HydrophobicContact SD-CG 4.32Å; L301-V303 VanDerWaalsContact C-N 3.33Å; L301-V303 PolarHBondContact O-N 3.05Å; L301-F304 PolarHBondContact O-N 3Å; L301-F305 HydrophobicContact CB-CD2 4.16Å; L301-F305 HydrophobicContact CB-CE2 3.95Å; L301-F305 HydrophobicContact CD1-CE2 4.28Å; L301-F305 HydrophobicContact CD2-CE2 4.27Å; L301-F305 HydrophobicContact CD2-CZ 4.3Å; L301-F305 HydrophobicContact CG-CE2 4.41Å; L301-F305 WeakPolarHBondContact O-CB 3.42Å; L301-F305 WeakPolarHBondContact O-CD2 3.38Å; L301-F305 WeakPolarHBondContact O-CG 3.4Å; L301-F305 PolarHBondContact O-N 3.22Å; L301-L324 HydrophobicContact CD2-CD2 3.84Å; L301-I331 HydrophobicContact CD2-CG1 4.31Å
302F92.6Very high90.3Very high112 Ų11244.2 Ų44.249%0.49123%0.227SC..Hα-helixtrans-59.6-46177.4-174.8-85.2000111.1H217 N298 E299 I300 K306H217-F302 AromaticContact CE1-CD1 3.38Å; H217-F302 WeakPolarHBondContact CE1-CD1 3.27Å; H217-F302 AromaticContact CE1-CE1 3.67Å; H217-F302 AromaticContact NE2-CD1 3.4Å; H217-F302 WeakPolarHBondContact NE2-CD1 3.06Å; H217-F302 AromaticContact NE2-CE1 3.42Å; H217-F302 WeakPolarHBondContact NE2-CE1 3.46Å; N298-F302 WeakPolarHBondContact O-CB 3.47Å; N298-F302 PolarHBondContact O-N 3.31Å; E299-F302 PolarHBondContact O-N 2.72Å; I300-F302 VanDerWaalsContact C-N 3.29Å; I300-F302 PolarHBondContact O-N 2.78Å; F302-K306 WeakPolarHBondContact O-CB 3.21Å; F302-K306 PolarHBondContact O-N 3.4Å
303V94.1Very high89.8Confident1 Ų146.9 Ų46.91%0.00624%0.242CC..Hα-helixtrans-61.5-47.5175.9175.30000110.6H217 C220 L235 E299 I300 L301 K306 I307H217-V303 HydrophobicContact CB-CG2 3.58Å; C220-V303 HydrophobicContact CB-CG1 4.49Å; L235-V303 HydrophobicContact CD1-CB 4.1Å; L235-V303 HydrophobicContact CD1-CG1 3.71Å; E299-V303 WeakPolarHBondContact O-CG2 3.42Å; E299-V303 PolarHBondContact O-N 3.1Å; E299-V303 VanDerWaalsContact O-N 3.14Å; I300-V303 PolarHBondContact O-N 3.26Å; L301-V303 VanDerWaalsContact C-N 3.33Å; L301-V303 PolarHBondContact O-N 3.05Å; V303-K306 PolarHBondContact O-N 2.9Å; V303-I307 HydrophobicContact CG1-CD1 3.63Å; V303-I307 HydrophobicContact CG1-CG1 4.29Å; V303-I307 VanDerWaalsContact O-CG1 3.27Å; V303-I307 WeakPolarHBondContact O-CG1 3.46Å; V303-I307 PolarHBondContact O-N 3.18Å
304F93.3Very high89.2Confident0 Ų048.6 Ų48.60%025%0.254CS..Hα-helixtrans-61.3-49.5-179.9-74.83.9000112.3I232 L235 I300 L301 K306 I307 L308 I320 L324 Y327I232-F304 HydrophobicContact CG2-CD1 4.38Å; I232-F304 HydrophobicContact CG2-CE1 3.7Å; I232-F304 HydrophobicContact CG2-CZ 4.12Å; L235-F304 HydrophobicContact CB-CE1 3.84Å; L235-F304 HydrophobicContact CB-CZ 4.06Å; L235-F304 HydrophobicContact CD1-CE1 4.01Å; I300-F304 HydrophobicContact CG2-CD1 4.45Å; I300-F304 HydrophobicContact CG2-CD2 4.12Å; I300-F304 HydrophobicContact CG2-CE1 4.15Å; I300-F304 HydrophobicContact CG2-CE2 3.8Å; I300-F304 HydrophobicContact CG2-CG 4.43Å; I300-F304 HydrophobicContact CG2-CZ 3.82Å; I300-F304 PolarHBondContact O-N 2.72Å; L301-F304 PolarHBondContact O-N 3Å; F304-K306 VanDerWaalsContact C-N 3.29Å; F304-K306 PolarHBondContact O-N 3.26Å; F304-I307 PolarHBondContact O-N 3.47Å; F304-L308 VanDerWaalsContact O-CB 3.23Å; F304-L308 WeakPolarHBondContact O-CB 3.43Å; F304-L308 PolarHBondContact O-N 3.2Å; F304-I320 HydrophobicContact CB-CG2 4.29Å; F304-I320 HydrophobicContact CG-CG2 4.48Å; F304-L324 HydrophobicContact CB-CD2 4.38Å; F304-L324 HydrophobicContact CD2-CD2 3.94Å; F304-L324 HydrophobicContact CD2-CG 4.11Å; F304-Y327 HydrophobicContact CE2-CD2 4.15Å; F304-Y327 AromaticContact CE2-CE2 3.98Å; F304-Y327 HydrophobicContact CE2-CE2 3.98Å
305F91.1Very high88.9Confident41 Ų4153.6 Ų53.618%0.1828%0.276CS..Hα-helixtrans-63.9-35.4177.6-68.7-42.4000112.5L301 L308 K309 L324 Y335 L339L301-F305 HydrophobicContact CB-CD2 4.16Å; L301-F305 HydrophobicContact CB-CE2 3.95Å; L301-F305 HydrophobicContact CD1-CE2 4.28Å; L301-F305 HydrophobicContact CD2-CE2 4.27Å; L301-F305 HydrophobicContact CD2-CZ 4.3Å; L301-F305 HydrophobicContact CG-CE2 4.41Å; L301-F305 WeakPolarHBondContact O-CB 3.42Å; L301-F305 WeakPolarHBondContact O-CD2 3.38Å; L301-F305 WeakPolarHBondContact O-CG 3.4Å; L301-F305 PolarHBondContact O-N 3.22Å; F305-L308 HydrophobicContact CD1-CD2 4.46Å; F305-K309 WeakPolarHBondContact O-CG 3.45Å; F305-K309 PolarHBondContact O-N 3.46Å; F305-K309 VanDerWaalsContact O-N 3.09Å; F305-L324 HydrophobicContact CE1-CD2 4.44Å; F305-Y335 HydrophobicContact CE2-CG 4.27Å; F305-Y335 HydrophobicContact CZ-CG 4.48Å; F305-L339 HydrophobicContact CE1-CD1 4.48Å; F305-L339 HydrophobicContact CE1-CD2 4.3Å
306K91.9Very high88.6Confident88 Ų8850.2 Ų50.238%0.38326%0.258SS..Hα-helixtrans-69.9-41.1177.7-173.456175.6176.90111.8Y225 F302 V303 F304 K309 T310Y225-K306 HydrophobicContact CD1-CB 4.1Å; Y225-K306 HydrophobicContact CD1-CG 3.7Å; Y225-K306 HydrophobicContact CD2-CD 4.43Å; Y225-K306 HydrophobicContact CD2-CG 3.63Å; Y225-K306 HydrophobicContact CE1-CB 3.89Å; Y225-K306 HydrophobicContact CE1-CG 3.52Å; Y225-K306 HydrophobicContact CE2-CD 4.26Å; Y225-K306 HydrophobicContact CE2-CG 3.46Å; Y225-K306 VanDerWaalsContact CE2-CG 3.46Å; Y225-K306 HydrophobicContact CG-CG 3.75Å; Y225-K306 VanDerWaalsContact CZ-CG 3.4Å; F302-K306 WeakPolarHBondContact O-CB 3.21Å; F302-K306 PolarHBondContact O-N 3.4Å; V303-K306 PolarHBondContact O-N 2.9Å; F304-K306 VanDerWaalsContact C-N 3.29Å; F304-K306 PolarHBondContact O-N 3.26Å; K306-K309 PolarHBondContact O-N 3.14Å; K306-T310 WeakPolarHBondContact O-CB 3.09Å; K306-T310 PolarHBondContact O-N 3.13Å; K306-T310 PolarHBondContact O-OG1 3.34Å
307I91.1Very high88.3Confident0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-66.9-44.8174.5-61.5168.2000109.9Y225 V227 I232 V303 F304 K309 T310 T311 L316 I320Y225-I307 HydrophobicContact CD1-CG1 3.93Å; Y225-I307 HydrophobicContact CG-CG1 4.47Å; V227-I307 HydrophobicContact CG2-CD1 3.96Å; I232-I307 HydrophobicContact CD1-CD1 3.82Å; I232-I307 HydrophobicContact CD1-CG2 4.23Å; I232-I307 HydrophobicContact CG1-CD1 4.15Å; V303-I307 HydrophobicContact CG1-CD1 3.63Å; V303-I307 HydrophobicContact CG1-CG1 4.29Å; V303-I307 VanDerWaalsContact O-CG1 3.27Å; V303-I307 WeakPolarHBondContact O-CG1 3.46Å; V303-I307 PolarHBondContact O-N 3.18Å; F304-I307 PolarHBondContact O-N 3.47Å; I307-K309 PolarHBondContact O-N 3.34Å; I307-T310 PolarHBondContact O-N 3.33Å; I307-T311 HydrophobicContact CG2-CG2 4.03Å; I307-T311 WeakPolarHBondContact O-CG2 3.31Å; I307-T311 PolarHBondContact O-N 2.92Å; I307-L316 HydrophobicContact CG2-CD2 3.5Å; I307-L316 HydrophobicContact CG2-CG 4.15Å; I307-I320 HydrophobicContact CB-CD1 3.85Å; I307-I320 HydrophobicContact CG2-CD1 3.47Å; I307-I320 VanDerWaalsContact CG2-CD1 3.47Å
308L88.1Confident88.2Confident19 Ų1951.5 Ų51.510%0.09927%0.266CS..Hα-helixtrans-54.9-36.2177.4-175.664.1000112.6F304 F305 L317 F321 L339 V342F304-L308 VanDerWaalsContact O-CB 3.23Å; F304-L308 WeakPolarHBondContact O-CB 3.43Å; F304-L308 PolarHBondContact O-N 3.2Å; F305-L308 HydrophobicContact CD1-CD2 4.46Å; L308-L317 HydrophobicContact CD1-CD2 3.55Å; L308-F321 HydrophobicContact CD1-CE1 3.93Å; L308-F321 HydrophobicContact CD1-CZ 3.89Å; L308-L339 HydrophobicContact CD2-CD1 4.1Å; L308-V342 HydrophobicContact CD1-CG1 3.96Å; L308-V342 HydrophobicContact CD2-CG1 4Å; L308-V342 HydrophobicContact CG-CG1 4.04Å
309K86.2Confident88.1Confident182 Ų18247.9 Ų47.979%0.79125%0.249SC*.Hα-helixtrans-77-18175.2-74179.4178.1-177.20114.5F305 K306 I307F305-K309 WeakPolarHBondContact O-CG 3.45Å; F305-K309 PolarHBondContact O-N 3.46Å; F305-K309 VanDerWaalsContact O-N 3.09Å; K306-K309 PolarHBondContact O-N 3.14Å; I307-K309 PolarHBondContact O-N 3.34Å
310T86Confident88.1Confident64 Ų6445.8 Ų45.839%0.39324%0.239SC..Hα-helixtrans-108-30.1-170-51.70000112.4K306 I307K306-T310 WeakPolarHBondContact O-CB 3.09Å; K306-T310 PolarHBondContact O-N 3.13Å; K306-T310 PolarHBondContact O-OG1 3.34Å; I307-T310 PolarHBondContact O-N 3.33Å
311T84.3Confident88.1Confident27 Ų2745.8 Ų45.817%0.16624%0.239CC..  trans-92.6151-174.7-1640000112.6I307 D313 L316 L317I307-T311 HydrophobicContact CG2-CG2 4.03Å; I307-T311 WeakPolarHBondContact O-CG2 3.31Å; I307-T311 PolarHBondContact O-N 2.92Å; T311-D313 VanDerWaalsContact OG1-CB 3.3Å; T311-D313 WeakPolarHBondContact OG1-CB 3.34Å; T311-D313 PolarHBondContact OG1-N 3.28Å; T311-L316 HydrophobicContact CG2-CD2 4.15Å; T311-L317 HydrophobicContact CG2-CD2 3.63Å; T311-L317 HydrophobicContact CG2-CG 3.82Å
312S78.9Confident87.9Confident106 Ų10650.5 Ų50.574%0.74126%0.259SS*.  trans-1239.2162.2-59.60000111.4
313D80Confident87.8Confident84 Ų8445.1 Ų45.145%0.44924%0.235SC..  trans-75.7123.1-179-171.5-4.2000110.5T311 E315 L316 L317T311-D313 VanDerWaalsContact OG1-CB 3.3Å; T311-D313 WeakPolarHBondContact OG1-CB 3.34Å; T311-D313 PolarHBondContact OG1-N 3.28Å; D313-E315 PolarHBondContact OD1-N 2.95Å; D313-L316 HydrophobicContact CB-CB 3.99Å; D313-L316 PolarHBondContact O-N 3.17Å; D313-L317 WeakPolarHBondContact O-CB 3.4Å; D313-L317 WeakPolarHBondContact O-CD1 3.39Å; D313-L317 WeakPolarHBondContact O-CG 3.07Å; D313-L317 PolarHBondContact O-N 3.02Å
314S78.2Confident87.7Confident47 Ų4745.1 Ų45.133%0.32924%0.235SC..Hα-helixtrans-59.6-51.5-175.1172.30000111.6L316 L317 S318 D356S314-L316 VanDerWaalsContact C-N 3.32Å; S314-L316 PolarHBondContact O-N 3.43Å; S314-L317 PolarHBondContact O-N 3.07Å; S314-S318 PolarHBondContact O-N 3.49Å; S314-D356 VanDerWaalsContact CA-OD2 3.31Å; S314-D356 WeakPolarHBondContact CA-OD2 3.49Å; S314-D356 VanDerWaalsContact CB-OD2 3.25Å; S314-D356 WeakPolarHBondContact CB-OD2 3.24Å; S314-D356 PolarHBondContact OG-OD1 3.37Å; S314-D356 PolarHBondContact OG-OD2 3.27Å
315E82.2Confident87.6Confident135 Ų13545.9 Ų45.963%0.63124%0.241SC*.Hα-helixtrans-64.4-38.6-177.3-63.4-177.5-177.200111.9V229 D313 S318 A319V229-E315 HydrophobicContact CG2-CB 3.98Å; D313-E315 PolarHBondContact OD1-N 2.95Å; E315-S318 PolarHBondContact O-N 3.03Å; E315-A319 PolarHBondContact O-N 3.43Å; E315-A319 VanDerWaalsContact O-N 3.08Å
316L87.2Confident87.5Confident4 Ų448.5 Ų48.52%0.02125%0.252CS..Hα-helixtrans-67.9-39.6178.2-158.868.8000111.5V227 V229 I232 I307 T311 D313 S314 A319 I320V227-L316 WeakPolarHBondContact O-CD1 3.38Å; V229-L316 HydrophobicContact CG2-CD1 4.32Å; I232-L316 HydrophobicContact CD1-CD1 3.22Å; I232-L316 HydrophobicContact CD1-CD2 4.27Å; I232-L316 HydrophobicContact CD1-CG 3.51Å; I232-L316 HydrophobicContact CG1-CD1 3.87Å; I307-L316 HydrophobicContact CG2-CD2 3.5Å; I307-L316 HydrophobicContact CG2-CG 4.15Å; T311-L316 HydrophobicContact CG2-CD2 4.15Å; D313-L316 HydrophobicContact CB-CB 3.99Å; D313-L316 PolarHBondContact O-N 3.17Å; S314-L316 VanDerWaalsContact C-N 3.32Å; S314-L316 PolarHBondContact O-N 3.43Å; L316-A319 PolarHBondContact O-N 3.14Å; L316-I320 HydrophobicContact CG-CD1 4.46Å; L316-I320 WeakPolarHBondContact O-CD1 3.41Å; L316-I320 VanDerWaalsContact O-CG1 3.24Å; L316-I320 WeakPolarHBondContact O-CG1 3.49Å; L316-I320 PolarHBondContact O-N 2.83Å
317L88.4Confident87.4Confident13 Ų1344.4 Ų44.47%0.06823%0.234CC..Hα-helixtrans-64.9-45.4176.2-72.2165.3000111.2L308 T311 D313 S314 A319 I320 F321 M346L308-L317 HydrophobicContact CD1-CD2 3.55Å; T311-L317 HydrophobicContact CG2-CD2 3.63Å; T311-L317 HydrophobicContact CG2-CG 3.82Å; D313-L317 WeakPolarHBondContact O-CB 3.4Å; D313-L317 WeakPolarHBondContact O-CD1 3.39Å; D313-L317 WeakPolarHBondContact O-CG 3.07Å; D313-L317 PolarHBondContact O-N 3.02Å; S314-L317 PolarHBondContact O-N 3.07Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 3.1Å; L317-I320 PolarHBondContact O-N 3.31Å; L317-F321 HydrophobicContact CB-CE2 4.06Å; L317-F321 HydrophobicContact CD2-CZ 4.48Å; L317-F321 WeakPolarHBondContact O-CD2 3.47Å; L317-F321 WeakPolarHBondContact O-CG 3.49Å; L317-F321 PolarHBondContact O-N 3.38Å; L317-M346 HydrophobicContact CB-CE 4.06Å; L317-M346 HydrophobicContact CD1-CE 3.68Å; L317-M346 HydrophobicContact CD1-SD 4.08Å; L317-M346 HydrophobicContact CD2-SD 4.1Å; L317-M346 HydrophobicContact CG-CE 4.29Å; L317-M346 HydrophobicContact CG-SD 4.5Å
318S88.1Confident87.2Confident16 Ų1644.6 Ų44.611%0.11224%0.236CC..Hα-helixtrans-54.3-47.8173.9167.20000111.8S314 E315 I320 F321 K322 D356 H359S314-S318 PolarHBondContact O-N 3.49Å; E315-S318 PolarHBondContact O-N 3.03Å; S318-I320 PolarHBondContact O-N 2.9Å; S318-F321 PolarHBondContact O-N 2.85Å; S318-K322 PolarHBondContact O-N 3.48Å; S318-D356 WeakPolarHBondContact CB-OD1 3.49Å; S318-H359 PolarHBondContact OG-CE1 3.43Å; S318-H359 VanDerWaalsContact OG-CE1 3.31Å; S318-H359 PolarHBondContact OG-ND1 3.1Å
319A89.6Confident87Confident13 Ų1350.5 Ų50.511%0.10726%0.261CS..Hα-helixtrans-62.4-40.5178.100000112.8V229 I232 E315 L316 L317 K322 G323V229-A319 HydrophobicContact CG1-CB 3.85Å; I232-A319 HydrophobicContact CB-CB 4.47Å; I232-A319 HydrophobicContact CG2-CB 4.22Å; E315-A319 PolarHBondContact O-N 3.43Å; E315-A319 VanDerWaalsContact O-N 3.08Å; L316-A319 PolarHBondContact O-N 3.14Å; L317-A319 VanDerWaalsContact C-N 3.32Å; L317-A319 PolarHBondContact O-N 3.1Å; A319-K322 PolarHBondContact O-N 3.13Å; A319-G323 PolarHBondContact O-N 2.71Å
320I93.6Very high86.9Confident0 Ų043.3 Ų43.30%023%0.231CC..Hα-helixtrans-63.4-44.9176.3-70164.5000110.8I232 F304 I307 L316 L317 S318 G323 L324I232-I320 HydrophobicContact CD1-CD1 3.82Å; I232-I320 HydrophobicContact CD1-CG1 3.48Å; I232-I320 VanDerWaalsContact CD1-CG1 3.48Å; I232-I320 HydrophobicContact CG2-CG1 4.02Å; F304-I320 HydrophobicContact CB-CG2 4.29Å; F304-I320 HydrophobicContact CG-CG2 4.48Å; I307-I320 HydrophobicContact CB-CD1 3.85Å; I307-I320 HydrophobicContact CG2-CD1 3.47Å; I307-I320 VanDerWaalsContact CG2-CD1 3.47Å; L316-I320 HydrophobicContact CG-CD1 4.46Å; L316-I320 WeakPolarHBondContact O-CD1 3.41Å; L316-I320 VanDerWaalsContact O-CG1 3.24Å; L316-I320 WeakPolarHBondContact O-CG1 3.49Å; L316-I320 PolarHBondContact O-N 2.83Å; L317-I320 PolarHBondContact O-N 3.31Å; S318-I320 PolarHBondContact O-N 2.9Å; I320-G323 CarbonylContact O-C 3.6Å; I320-G323 WeakPolarHBondContact O-CA 3.47Å; I320-G323 PolarHBondContact O-N 3.46Å; I320-G323 VanDerWaalsContact O-N 3.11Å; I320-L324 HydrophobicContact CG2-CD1 3.74Å; I320-L324 HydrophobicContact CG2-CG 4.14Å; I320-L324 WeakPolarHBondContact O-CG 3.48Å; I320-L324 PolarHBondContact O-N 3.35Å
321F92.5Very high86.8Confident0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-64.6-43179.1-68.6-39.6000112.3L308 L317 S318 G323 L324 S325 L343 M346 H359 C360 T363L308-F321 HydrophobicContact CD1-CE1 3.93Å; L308-F321 HydrophobicContact CD1-CZ 3.89Å; L317-F321 HydrophobicContact CB-CE2 4.06Å; L317-F321 HydrophobicContact CD2-CZ 4.48Å; L317-F321 WeakPolarHBondContact O-CD2 3.47Å; L317-F321 WeakPolarHBondContact O-CG 3.49Å; L317-F321 PolarHBondContact O-N 3.38Å; S318-F321 PolarHBondContact O-N 2.85Å; F321-G323 PolarHBondContact O-N 3.15Å; F321-L324 HydrophobicContact CD1-CD1 4.22Å; F321-L324 PolarHBondContact O-N 3.36Å; F321-L324 VanDerWaalsContact O-N 3.15Å; F321-S325 PolarHBondContact O-N 3.26Å; F321-L343 HydrophobicContact CD1-CD2 3.63Å; F321-L343 HydrophobicContact CE1-CD2 3.3Å; F321-L343 HydrophobicContact CG-CD2 4.45Å; F321-L343 HydrophobicContact CZ-CD2 3.84Å; F321-M346 HydrophobicContact CE2-CE 3.51Å; F321-M346 HydrophobicContact CE2-SD 3.4Å; F321-M346 WeakPolarHBondContact CE2-SD 3.23Å; F321-M346 HydrophobicContact CZ-CE 4.08Å; F321-M346 HydrophobicContact CZ-SD 3.28Å; F321-M346 WeakPolarHBondContact CZ-SD 3.4Å; F321-H359 HydrophobicContact CB-CB 3.82Å; F321-C360 HydrophobicContact CD2-CB 4.16Å; F321-C360 HydrophobicContact CE2-CB 4.25Å; F321-T363 WeakPolarHBondContact CB-OG1 3.48Å; F321-T363 HydrophobicContact CD1-CG2 4.4Å; F321-T363 PolarHBondContact O-OG1 2.93Å
322K89.2Confident86.6Confident108 Ų10843.3 Ų43.347%0.4723%0.227SC..Hα-helixtrans-55.7-39.8170.8-174.9175179.7172.90112S318 A319 S325 H471S318-K322 PolarHBondContact O-N 3.48Å; A319-K322 PolarHBondContact O-N 3.13Å; K322-S325 PolarHBondContact O-OG 2.97Å; K322-S325 VanDerWaalsContact O-OG 3.07Å; K322-H471 PolarHBondContact NZ-CE1 3.35Å; K322-H471 VanDerWaalsContact NZ-CE1 3.26Å
323G90.9Very high86.5Confident0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-67.3-4617400000113.3S236 A319 I320 F321 S325 K326 Y327S236-G323 WeakPolarHBondContact OG-CA 3.41Å; A319-G323 PolarHBondContact O-N 2.71Å; I320-G323 CarbonylContact O-C 3.6Å; I320-G323 WeakPolarHBondContact O-CA 3.47Å; I320-G323 PolarHBondContact O-N 3.46Å; I320-G323 VanDerWaalsContact O-N 3.11Å; F321-G323 PolarHBondContact O-N 3.15Å; G323-S325 PolarHBondContact O-N 3.08Å; G323-K326 WeakPolarHBondContact O-CB 3.44Å; G323-K326 PolarHBondContact O-N 2.9Å; G323-Y327 WeakPolarHBondContact O-CD2 3.44Å; G323-Y327 PolarHBondContact O-N 2.79Å
324L91.8Very high86.5Confident0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-65.8-36.3-179.3-74.1173.3000112.3L301 F304 F305 I320 F321 K326 Y327 A328 I331 L339 T363L301-L324 HydrophobicContact CD2-CD2 3.84Å; F304-L324 HydrophobicContact CB-CD2 4.38Å; F304-L324 HydrophobicContact CD2-CD2 3.94Å; F304-L324 HydrophobicContact CD2-CG 4.11Å; F305-L324 HydrophobicContact CE1-CD2 4.44Å; I320-L324 HydrophobicContact CG2-CD1 3.74Å; I320-L324 HydrophobicContact CG2-CG 4.14Å; I320-L324 WeakPolarHBondContact O-CG 3.48Å; I320-L324 PolarHBondContact O-N 3.35Å; F321-L324 HydrophobicContact CD1-CD1 4.22Å; F321-L324 PolarHBondContact O-N 3.36Å; F321-L324 VanDerWaalsContact O-N 3.15Å; L324-K326 VanDerWaalsContact C-N 3.32Å; L324-K326 PolarHBondContact O-N 3.34Å; L324-Y327 CarbonylContact O-C 3.58Å; L324-Y327 PolarHBondContact O-N 2.93Å; L324-Y327 VanDerWaalsContact O-N 3.13Å; L324-A328 PolarHBondContact O-N 2.81Å; L324-I331 HydrophobicContact CD2-CD1 4.27Å; L324-L339 HydrophobicContact CD1-CD1 4.07Å; L324-T363 HydrophobicContact CB-CG2 3.74Å
325S89.8Confident86.7Confident17 Ų1747.1 Ų47.112%0.11923%0.227CC..Hα-helixtrans-64.2-38.1177.672.40000112F321 K322 G323 Y327 A328 H362F321-S325 PolarHBondContact O-N 3.26Å; K322-S325 PolarHBondContact O-OG 2.97Å; K322-S325 VanDerWaalsContact O-OG 3.07Å; G323-S325 PolarHBondContact O-N 3.08Å; S325-Y327 VanDerWaalsContact C-N 3.26Å; S325-Y327 PolarHBondContact O-N 3.13Å; S325-A328 WeakPolarHBondContact O-CB 3.39Å; S325-A328 PolarHBondContact O-N 3.25Å; S325-H362 VanDerWaalsContact CB-ND1 3.26Å; S325-H362 WeakPolarHBondContact CB-ND1 3.47Å; S325-H362 PolarHBondContact OG-CE1 3.36Å; S325-H362 PolarHBondContact OG-ND1 3.35Å; S325-H362 VanDerWaalsContact OG-ND1 3.14Å
326K89.1Confident86.7Confident96 Ų9641 Ų4142%0.41720%0.199SC..Hα-helixtrans-58.8-38.9172.4-177.8178.3176.7-179.80111.9S236 C237 V238 S239 G323 L324S236-K326 WeakPolarHBondContact O-CD 3.27Å; S236-K326 PolarHBondContact O-NZ 2.88Å; C237-K326 PolarHBondContact O-NZ 3.5Å; V238-K326 WeakPolarHBondContact O-CE 3.33Å; V238-K326 PolarHBondContact O-NZ 2.96Å; V238-K326 VanDerWaalsContact O-NZ 3.16Å; S239-K326 PolarHBondContact OG-NZ 3.44Å; G323-K326 WeakPolarHBondContact O-CB 3.44Å; G323-K326 PolarHBondContact O-N 2.9Å; L324-K326 VanDerWaalsContact C-N 3.32Å; L324-K326 PolarHBondContact O-N 3.34Å
327Y89.8Confident86.5Confident1 Ų146.4 Ų46.40%0.00423%0.228CC..THydrogen-bonded Turntrans-95.24.9-176.3-59.4-53000115L235 S236 V238 I240 M297 I300 F304 G323 L324 S325 K329 L330 I331L235-Y327 PolarHBondContact O-OH 3.18Å; S236-Y327 PolarHBondContact O-OH 2.75Å; V238-Y327 VanDerWaalsContact O-CE1 3.27Å; V238-Y327 WeakPolarHBondContact O-CE1 3.23Å; V238-Y327 PolarHBondContact O-OH 3.25Å; I240-Y327 HydrophobicContact CG1-CE1 4.49Å; M297-Y327 VanDerWaalsContact CE-CB 3.4Å; M297-Y327 HydrophobicContact CE-CD1 4.26Å; M297-Y327 HydrophobicContact CE-CD2 4.35Å; M297-Y327 HydrophobicContact CE-CG 3.78Å; M297-Y327 HydrophobicContact SD-CD1 3.95Å; M297-Y327 HydrophobicContact SD-CG 3.99Å; I300-Y327 HydrophobicContact CG2-CD2 4.4Å; I300-Y327 HydrophobicContact CG2-CE2 3.84Å; F304-Y327 HydrophobicContact CE2-CD2 4.15Å; F304-Y327 AromaticContact CE2-CE2 3.98Å; F304-Y327 HydrophobicContact CE2-CE2 3.98Å; G323-Y327 WeakPolarHBondContact O-CD2 3.44Å; G323-Y327 PolarHBondContact O-N 2.79Å; L324-Y327 CarbonylContact O-C 3.58Å; L324-Y327 PolarHBondContact O-N 2.93Å; L324-Y327 VanDerWaalsContact O-N 3.13Å; S325-Y327 VanDerWaalsContact C-N 3.26Å; S325-Y327 PolarHBondContact O-N 3.13Å; Y327-K329 VanDerWaalsContact C-N 3.25Å; Y327-K329 PolarHBondContact O-N 2.86Å; Y327-K329 VanDerWaalsContact O-N 3.08Å; Y327-L330 HydrophobicContact CD1-CD1 4.45Å; Y327-L330 WeakPolarHBondContact O-CB 3.47Å; Y327-L330 PolarHBondContact O-N 3.21Å; Y327-I331 PolarHBondContact O-N 3.42Å
328A86.7Confident86.3Confident5 Ų551.2 Ų51.24%0.04125%0.253CS..G310 helixtrans-50-43-171.200000113.5L324 S325 L330 I331 I367 S370L324-A328 PolarHBondContact O-N 2.81Å; S325-A328 WeakPolarHBondContact O-CB 3.39Å; S325-A328 PolarHBondContact O-N 3.25Å; A328-L330 PolarHBondContact O-N 3.38Å; A328-L330 VanDerWaalsContact O-N 3.13Å; A328-I331 PolarHBondContact O-N 2.94Å; A328-I367 HydrophobicContact CB-CG1 4.02Å; A328-S370 PolarHBondContact O-OG 2.66Å
329K84.1Confident86.2Confident143 Ų14350.6 Ų50.662%0.62225%0.249SC*.G310 helixtrans-64.4-14.4179.6-61.7178.3176.6-176.10115.9R245 Y327R245-K329 PolarHBondContact NH2-O 3.08Å; Y327-K329 VanDerWaalsContact C-N 3.25Å; Y327-K329 PolarHBondContact O-N 2.86Å; Y327-K329 VanDerWaalsContact O-N 3.08Å
330L84.5Confident86Confident30 Ų3050.4 Ų50.416%0.15725%0.246CC..G310 helixtrans-107.6-8.1-176.1-57.1178.9000112.5I240 V243 M297 Y327 A328 N332I240-L330 HydrophobicContact CB-CD1 3.74Å; I240-L330 HydrophobicContact CG2-CD1 3.54Å; I240-L330 WeakPolarHBondContact O-CD1 3.41Å; V243-L330 HydrophobicContact CB-CD2 4.15Å; V243-L330 HydrophobicContact CG2-CB 4.42Å; V243-L330 HydrophobicContact CG2-CD1 3.9Å; V243-L330 HydrophobicContact CG2-CD2 3.78Å; V243-L330 HydrophobicContact CG2-CG 4.25Å; M297-L330 HydrophobicContact CE-CB 3.99Å; M297-L330 HydrophobicContact CG-CB 4.45Å; M297-L330 HydrophobicContact SD-CB 4.47Å; M297-L330 HydrophobicContact SD-CD1 4.14Å; Y327-L330 HydrophobicContact CD1-CD1 4.45Å; Y327-L330 WeakPolarHBondContact O-CB 3.47Å; Y327-L330 PolarHBondContact O-N 3.21Å; A328-L330 PolarHBondContact O-N 3.38Å; A328-L330 VanDerWaalsContact O-N 3.13Å; L330-N332 PolarHBondContact O-N 3.06Å
331I83.9Confident85.6Confident18 Ų1853.2 Ų53.29%0.09227%0.266CS..SBendtrans-71.4128-179.3-62.1176.5000108.6L301 L324 Y327 A328 V336 L339 I367L301-I331 HydrophobicContact CD2-CG1 4.31Å; L324-I331 HydrophobicContact CD2-CD1 4.27Å; Y327-I331 PolarHBondContact O-N 3.42Å; A328-I331 PolarHBondContact O-N 2.94Å; I331-V336 HydrophobicContact CG2-CG2 4.49Å; I331-L339 HydrophobicContact CD1-CD2 3.97Å; I331-I367 HydrophobicContact CD1-CG1 4.4Å
332N79.9Confident85.3Confident73 Ų7355.2 Ų55.239%0.3928%0.278SS..  trans-63.8144.2175.9-168.315.9000110.8L330 E334 Y335L330-N332 PolarHBondContact O-N 3.06Å; N332-E334 PolarHBondContact ND2-OE2 2.68Å; N332-E334 PolarHBondContact O-N 3.37Å; N332-Y335 HydrophobicContact CB-CD2 3.79Å; N332-Y335 HydrophobicContact CB-CE2 3.9Å; N332-Y335 PolarHBondContact O-N 3.46Å; N332-Y335 VanDerWaalsContact O-N 3.08Å
333T78Confident85.3Confident78 Ų7850 Ų5048%0.47926%0.255SS..G310 helixtrans-56.2-35.4-17752.80000112.4Y335 V336T333-Y335 PolarHBondContact O-N 3.37Å; T333-Y335 VanDerWaalsContact O-N 3.13Å; T333-V336 WeakPolarHBondContact O-CB 3.36Å; T333-V336 PolarHBondContact O-N 3.01Å; T333-V336 VanDerWaalsContact O-N 3.09Å
334E79.6Confident85.2Confident133 Ų13352.5 Ų52.562%0.62127%0.269SS*.G310 helixtrans-58.7-25.7178.7-61.5174.9178.600114.5N332N332-E334 PolarHBondContact ND2-OE2 2.68Å; N332-E334 PolarHBondContact O-N 3.37Å
335Y81.4Confident85Confident107 Ų10760.1 Ų60.142%0.4230%0.297SS..G310 helixtrans-93.4-11.7-179.2-56.3-62.2000113.2F305 N332 T333 L339F305-Y335 HydrophobicContact CE2-CG 4.27Å; F305-Y335 HydrophobicContact CZ-CG 4.48Å; N332-Y335 HydrophobicContact CB-CD2 3.79Å; N332-Y335 HydrophobicContact CB-CE2 3.9Å; N332-Y335 PolarHBondContact O-N 3.46Å; N332-Y335 VanDerWaalsContact O-N 3.08Å; T333-Y335 PolarHBondContact O-N 3.37Å; T333-Y335 VanDerWaalsContact O-N 3.13Å; Y335-L339 WeakPolarHBondContact O-CB 3.31Å; Y335-L339 PolarHBondContact O-N 3.11Å
336V83.7Confident84.7Confident6 Ų660.6 Ų60.64%0.03630%0.298CS..Hα-helixtrans-64.2-46.9-171.9174.20000111I331 T333 N338 L339 M340 I367 V376I331-V336 HydrophobicContact CG2-CG2 4.49Å; T333-V336 WeakPolarHBondContact O-CB 3.36Å; T333-V336 PolarHBondContact O-N 3.01Å; T333-V336 VanDerWaalsContact O-N 3.09Å; V336-N338 PolarHBondContact O-N 3.39Å; V336-L339 CarbonylContact O-C 3.53Å; V336-L339 PolarHBondContact O-N 3.13Å; V336-L339 VanDerWaalsContact O-N 3.11Å; V336-M340 HydrophobicContact CG1-CG 4.02Å; V336-M340 WeakPolarHBondContact O-CB 3.33Å; V336-M340 VanDerWaalsContact O-CG 3.29Å; V336-M340 WeakPolarHBondContact O-CG 3.16Å; V336-M340 PolarHBondContact O-N 2.74Å; V336-I367 HydrophobicContact CG1-CG2 3.76Å; V336-I367 HydrophobicContact CG2-CG2 4.08Å; V336-V376 HydrophobicContact CG1-CG1 4.4Å; V336-V376 HydrophobicContact CG1-CG2 4.39Å
337D82.1Confident84.5Confident117 Ų11756.9 Ų56.963%0.62628%0.283SS*.Hα-helixtrans-60.6-45.5-178.1-64-25.4000112.5L339 M340 S341D337-L339 VanDerWaalsContact C-N 3.3Å; D337-L339 PolarHBondContact O-N 3.12Å; D337-M340 PolarHBondContact O-N 2.91Å; D337-S341 WeakPolarHBondContact O-CB 3.39Å; D337-S341 PolarHBondContact O-N 3.36Å
338N84Confident84.3Confident114 Ų11460.6 Ų60.661%0.6131%0.314SS*.Hα-helixtrans-62.3-41.1176.8-72.6-46.6000111.2V336 S341 V342V336-N338 PolarHBondContact O-N 3.39Å; N338-S341 PolarHBondContact O-N 2.62Å; N338-V342 WeakPolarHBondContact O-CG2 3.16Å; N338-V342 PolarHBondContact O-N 3.5Å; N338-V342 VanDerWaalsContact O-N 3.14Å
339L86.3Confident84Confident4 Ų465.8 Ų65.82%0.02134%0.336CS..Hα-helixtrans-67.9-44.6178.6-175.550.2000111.1F305 L308 L324 I331 Y335 V336 D337 S341 V342 L343 I367F305-L339 HydrophobicContact CE1-CD1 4.48Å; F305-L339 HydrophobicContact CE1-CD2 4.3Å; L308-L339 HydrophobicContact CD2-CD1 4.1Å; L324-L339 HydrophobicContact CD1-CD1 4.07Å; I331-L339 HydrophobicContact CD1-CD2 3.97Å; Y335-L339 WeakPolarHBondContact O-CB 3.31Å; Y335-L339 PolarHBondContact O-N 3.11Å; V336-L339 CarbonylContact O-C 3.53Å; V336-L339 PolarHBondContact O-N 3.13Å; V336-L339 VanDerWaalsContact O-N 3.11Å; D337-L339 VanDerWaalsContact C-N 3.3Å; D337-L339 PolarHBondContact O-N 3.12Å; L339-S341 VanDerWaalsContact C-N 3.31Å; L339-S341 PolarHBondContact O-N 2.95Å; L339-V342 PolarHBondContact O-N 3.38Å; L339-V342 VanDerWaalsContact O-N 3.1Å; L339-L343 HydrophobicContact CD1-CD1 4.23Å; L339-L343 HydrophobicContact CD1-CG 4.2Å; L339-L343 HydrophobicContact CG-CD1 4Å; L339-L343 HydrophobicContact CG-CG 4.44Å; L339-L343 VanDerWaalsContact O-CG 3.26Å; L339-L343 WeakPolarHBondContact O-CG 3.43Å; L339-L343 PolarHBondContact O-N 3.24Å; L339-I367 HydrophobicContact CD2-CD1 3.33Å; L339-I367 HydrophobicContact CD2-CG1 4.44Å; L339-I367 HydrophobicContact CG-CD1 3.82Å
340M85Confident83.2Confident8 Ų865.7 Ų65.74%0.03934%0.336CS..Hα-helixtrans-61.8-37.6175.8-69-54.5-73.400112.1V336 D337 L343 N344 A364 I368 T379 F384V336-M340 HydrophobicContact CG1-CG 4.02Å; V336-M340 WeakPolarHBondContact O-CB 3.33Å; V336-M340 VanDerWaalsContact O-CG 3.29Å; V336-M340 WeakPolarHBondContact O-CG 3.16Å; V336-M340 PolarHBondContact O-N 2.74Å; D337-M340 PolarHBondContact O-N 2.91Å; M340-L343 PolarHBondContact O-N 3.03Å; M340-L343 HydrophobicContact SD-CD1 4.11Å; M340-N344 WeakPolarHBondContact O-CB 3.08Å; M340-N344 PolarHBondContact O-N 2.87Å; M340-N344 PolarHBondContact O-ND2 3.21Å; M340-A364 HydrophobicContact CE-CB 4.22Å; M340-A364 HydrophobicContact SD-CB 4.28Å; M340-I368 HydrophobicContact CE-CD1 3.85Å; M340-I368 HydrophobicContact CE-CG1 4Å; M340-T379 HydrophobicContact CE-CG2 3.75Å; M340-F384 HydrophobicContact CE-CD2 4.3Å; M340-F384 HydrophobicContact CE-CE2 3.39Å; M340-F384 HydrophobicContact CE-CZ 3.86Å
341S85.5Confident82.4Confident59 Ų5968.1 Ų68.141%0.41336%0.355SS..Hα-helixtrans-63-39.4173-176.10000112.5D337 N338 L339 R345D337-S341 WeakPolarHBondContact O-CB 3.39Å; D337-S341 PolarHBondContact O-N 3.36Å; N338-S341 PolarHBondContact O-N 2.62Å; L339-S341 VanDerWaalsContact C-N 3.31Å; L339-S341 PolarHBondContact O-N 2.95Å; S341-R345 WeakPolarHBondContact O-CB 3.35Å; S341-R345 PolarHBondContact O-N 2.97Å; S341-R345 PolarHBondContact OG-NH2 3.28Å; S341-R345 VanDerWaalsContact OG-NH2 3.09Å
342V86.6Confident82Confident42 Ų4268.4 Ų68.426%0.25536%0.358SS..Hα-helixtrans-68.9-45.2175.71750000111L308 N338 L339 R345 M346L308-V342 HydrophobicContact CD1-CG1 3.96Å; L308-V342 HydrophobicContact CD2-CG1 4Å; L308-V342 HydrophobicContact CG-CG1 4.04Å; N338-V342 WeakPolarHBondContact O-CG2 3.16Å; N338-V342 PolarHBondContact O-N 3.5Å; N338-V342 VanDerWaalsContact O-N 3.14Å; L339-V342 PolarHBondContact O-N 3.38Å; L339-V342 VanDerWaalsContact O-N 3.1Å; V342-R345 PolarHBondContact O-N 3.11Å; V342-M346 WeakPolarHBondContact O-CG 3.32Å; V342-M346 PolarHBondContact O-N 2.86Å
343L89.1Confident81.9Confident0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-63.2-45.4-179.8-65.6170.6000111.8F321 L339 M340 R345 M346 V347 C360 T363 A364 I367 F384F321-L343 HydrophobicContact CD1-CD2 3.63Å; F321-L343 HydrophobicContact CE1-CD2 3.3Å; F321-L343 HydrophobicContact CG-CD2 4.45Å; F321-L343 HydrophobicContact CZ-CD2 3.84Å; L339-L343 HydrophobicContact CD1-CD1 4.23Å; L339-L343 HydrophobicContact CD1-CG 4.2Å; L339-L343 HydrophobicContact CG-CD1 4Å; L339-L343 HydrophobicContact CG-CG 4.44Å; L339-L343 VanDerWaalsContact O-CG 3.26Å; L339-L343 WeakPolarHBondContact O-CG 3.43Å; L339-L343 PolarHBondContact O-N 3.24Å; M340-L343 PolarHBondContact O-N 3.03Å; M340-L343 HydrophobicContact SD-CD1 4.11Å; L343-R345 PolarHBondContact O-N 2.98Å; L343-M346 PolarHBondContact O-N 3.28Å; L343-V347 PolarHBondContact O-N 3.03Å; L343-C360 HydrophobicContact CD2-CB 4.4Å; L343-C360 WeakPolarHBondContact CD2-SG 3.29Å; L343-C360 PolarHBondContact O-SG 3.37Å; L343-C360 VanDerWaalsContact O-SG 3.35Å; L343-T363 HydrophobicContact CD1-CG2 4.2Å; L343-T363 HydrophobicContact CD2-CG2 4.35Å; L343-A364 HydrophobicContact CD1-CB 3.92Å; L343-I367 HydrophobicContact CD1-CD1 4.05Å; L343-F384 HydrophobicContact CB-CE1 3.98Å; L343-F384 HydrophobicContact CB-CZ 4.01Å
344N87.7Confident82.2Confident52 Ų5264.4 Ų64.428%0.27834%0.336SS..Hα-helixtrans-61.2-44.1175.9-84.5-59.5000112.1M340 M346 V347 A348 T383 F384M340-N344 WeakPolarHBondContact O-CB 3.08Å; M340-N344 PolarHBondContact O-N 2.87Å; M340-N344 PolarHBondContact O-ND2 3.21Å; N344-M346 PolarHBondContact O-N 3.22Å; N344-V347 PolarHBondContact O-N 3.12Å; N344-A348 WeakPolarHBondContact O-CB 3.48Å; N344-A348 PolarHBondContact O-N 3.02Å; N344-T383 PolarHBondContact OD1-OG1 3.17Å; N344-F384 HydrophobicContact CB-CZ 4.41Å; N344-F384 WeakPolarHBondContact OD1-CE2 3.44Å; N344-F384 VanDerWaalsContact OD1-CZ 3.3Å; N344-F384 WeakPolarHBondContact OD1-CZ 3.41Å
345R87.5Confident82.4Confident160 Ų16060 Ų6060%0.60432%0.318SS*.Hα-helixtrans-61.2-35.8177.1-167.9-168.9-27.6-100.5-13.2112S341 V342 L343 K349S341-R345 WeakPolarHBondContact O-CB 3.35Å; S341-R345 PolarHBondContact O-N 2.97Å; S341-R345 PolarHBondContact OG-NH2 3.28Å; S341-R345 VanDerWaalsContact OG-NH2 3.09Å; V342-R345 PolarHBondContact O-N 3.11Å; L343-R345 PolarHBondContact O-N 2.98Å; R345-K349 PolarHBondContact O-N 3.17Å
346M84.6Confident82.6Confident26 Ų2655.4 Ų55.413%0.12830%0.301CS..Hα-helixtrans-70.2-49.2176.6-76.9-158.755.600111.9L317 F321 V342 L343 N344 A348 K349 T352L317-M346 HydrophobicContact CB-CE 4.06Å; L317-M346 HydrophobicContact CD1-CE 3.68Å; L317-M346 HydrophobicContact CD1-SD 4.08Å; L317-M346 HydrophobicContact CD2-SD 4.1Å; L317-M346 HydrophobicContact CG-CE 4.29Å; L317-M346 HydrophobicContact CG-SD 4.5Å; F321-M346 HydrophobicContact CE2-CE 3.51Å; F321-M346 HydrophobicContact CE2-SD 3.4Å; F321-M346 WeakPolarHBondContact CE2-SD 3.23Å; F321-M346 HydrophobicContact CZ-CE 4.08Å; F321-M346 HydrophobicContact CZ-SD 3.28Å; F321-M346 WeakPolarHBondContact CZ-SD 3.4Å; V342-M346 WeakPolarHBondContact O-CG 3.32Å; V342-M346 PolarHBondContact O-N 2.86Å; L343-M346 PolarHBondContact O-N 3.28Å; N344-M346 PolarHBondContact O-N 3.22Å; M346-A348 PolarHBondContact O-N 3.32Å; M346-K349 VanDerWaalsContact O-CB 3.3Å; M346-K349 WeakPolarHBondContact O-CB 3.18Å; M346-K349 PolarHBondContact O-N 3.27Å; M346-T352 WeakPolarHBondContact O-CG2 3.47Å
347V85.2Confident82.9Confident18 Ų1855.1 Ų55.111%0.10930%0.3CS..Hα-helixtrans-57.6-36.4175.7167.50000112.1L343 N344 K349 C360 V361 F384 H387L343-V347 PolarHBondContact O-N 3.03Å; N344-V347 PolarHBondContact O-N 3.12Å; V347-K349 VanDerWaalsContact C-N 3.27Å; V347-K349 PolarHBondContact O-N 3.11Å; V347-C360 HydrophobicContact CG2-CB 4.35Å; V347-V361 HydrophobicContact CG2-CG2 4.34Å; V347-F384 HydrophobicContact CG2-CD1 3.93Å; V347-F384 HydrophobicContact CG2-CE1 3.89Å; V347-H387 HydrophobicContact CG1-CB 3.53Å; V347-H387 VanDerWaalsContact CG1-CG 3.47Å
348A84.4Confident83.4Confident80 Ų8049.6 Ų49.666%0.66127%0.27SS*.THydrogen-bonded Turntrans-70.9-17.6176.900000114.1N344 M346 K350N344-A348 WeakPolarHBondContact O-CB 3.48Å; N344-A348 PolarHBondContact O-N 3.02Å; M346-A348 PolarHBondContact O-N 3.32Å; A348-K350 PolarHBondContact O-N 3.22Å
349K81.5Confident83.8Confident113 Ų11344.4 Ų44.449%0.49124%0.242SC..  trans-74.5118.2-179-171.3-171.5-172.4-166.10109.7R345 M346 V347 S351 T352R345-K349 PolarHBondContact O-N 3.17Å; M346-K349 VanDerWaalsContact O-CB 3.3Å; M346-K349 WeakPolarHBondContact O-CB 3.18Å; M346-K349 PolarHBondContact O-N 3.27Å; V347-K349 VanDerWaalsContact C-N 3.27Å; V347-K349 PolarHBondContact O-N 3.11Å; K349-S351 WeakPolarHBondContact CD-OG 2.93Å; K349-S351 WeakPolarHBondContact CE-OG 3.49Å; K349-S351 PolarHBondContact NZ-OG 2.81Å; K349-S351 PolarHBondContact O-N 2.61Å; K349-T352 HydrophobicContact CB-CG2 4.23Å; K349-T352 PolarHBondContact O-N 3.1Å; K349-T352 PolarHBondContact O-OG1 3.26Å; K349-T352 VanDerWaalsContact O-OG1 3.07Å
350K66.7Low84Confident142 Ų14244.3 Ų44.362%0.61724%0.241SC*.THydrogen-bonded Turntrans-58.1-19.5-179.1-64.1-171.2177.5-170.70115.1A348A348-K350 PolarHBondContact O-N 3.22Å
351S68.8Low84.4Confident80 Ų8043.9 Ų43.956%0.55924%0.239SC*.THydrogen-bonded Turntrans-94.411.8-177.283.10000113.9K349K349-S351 WeakPolarHBondContact CD-OG 2.93Å; K349-S351 WeakPolarHBondContact CE-OG 3.49Å; K349-S351 PolarHBondContact NZ-OG 2.81Å; K349-S351 PolarHBondContact O-N 2.61Å
352T73.8Confident84.8Confident25 Ų2542.3 Ų42.315%0.15323%0.226CC..  trans-68.6133.717843.10000110.8M346 K349M346-T352 WeakPolarHBondContact O-CG2 3.47Å; K349-T352 HydrophobicContact CB-CG2 4.23Å; K349-T352 PolarHBondContact O-N 3.1Å; K349-T352 PolarHBondContact O-OG1 3.26Å; K349-T352 VanDerWaalsContact O-OG1 3.07Å
353S79Confident85Confident40 Ų4040.3 Ų40.328%0.2821%0.213SC..  trans-67.2157.4169810000109.2V355 D356 G357S353-V355 PolarHBondContact O-N 3.26Å; S353-D356 PolarHBondContact O-N 3.24Å; S353-D356 VanDerWaalsContact OG-CB 3.31Å; S353-D356 WeakPolarHBondContact OG-CB 3.47Å; S353-D356 PolarHBondContact OG-N 3.17Å; S353-D356 PolarHBondContact OG-OD1 3.45Å; S353-G357 PolarHBondContact O-N 3.14Å
354I83.1Confident85.1Confident26 Ų2640.3 Ų40.313%0.13321%0.213CC..Hα-helixtrans-59.6-40176.6-69.9170.5000110.6L358 I391 C394I354-L358 VanDerWaalsContact O-CB 3.28Å; I354-L358 WeakPolarHBondContact O-CB 3.37Å; I354-L358 PolarHBondContact O-N 2.95Å; I354-I391 HydrophobicContact CG2-CG2 3.86Å; I354-C394 HydrophobicContact CD1-CB 3.8Å; I354-C394 HydrophobicContact CG1-CB 4.42Å
355V85.1Confident85.3Confident41 Ų4137.9 Ų37.925%0.24820%0.2CC..Hα-helixtrans-65.8-49.1-179.3-178.30000110.7S353 G357 L358 H359 I472S353-V355 PolarHBondContact O-N 3.26Å; V355-G357 PolarHBondContact O-N 3.44Å; V355-L358 PolarHBondContact O-N 3.37Å; V355-H359 WeakPolarHBondContact CG1-CE1 3.41Å; V355-H359 PolarHBondContact O-N 3.28Å; V355-H359 PolarHBondContact O-ND1 2.93Å; V355-I472 HydrophobicContact CG2-CD1 3.84Å; V355-I472 HydrophobicContact CG2-CG1 4.28Å
356D85.9Confident85.4Confident10 Ų1030.8 Ų30.85%0.05318%0.175CC..Hα-helixtrans-62.2-45.9178.4-67.113.8000111.5S314 S318 S353 L358 H359 C360S314-D356 VanDerWaalsContact CA-OD2 3.31Å; S314-D356 WeakPolarHBondContact CA-OD2 3.49Å; S314-D356 VanDerWaalsContact CB-OD2 3.25Å; S314-D356 WeakPolarHBondContact CB-OD2 3.24Å; S314-D356 PolarHBondContact OG-OD1 3.37Å; S314-D356 PolarHBondContact OG-OD2 3.27Å; S318-D356 WeakPolarHBondContact CB-OD1 3.49Å; S353-D356 PolarHBondContact O-N 3.24Å; S353-D356 VanDerWaalsContact OG-CB 3.31Å; S353-D356 WeakPolarHBondContact OG-CB 3.47Å; S353-D356 PolarHBondContact OG-N 3.17Å; S353-D356 PolarHBondContact OG-OD1 3.45Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 2.88Å; D356-H359 PolarHBondContact O-N 3.42Å; D356-C360 WeakPolarHBondContact O-CB 3.31Å; D356-C360 PolarHBondContact O-N 3.29Å
357G88.8Confident85.5Confident1 Ų129.7 Ų29.71%0.0117%0.17CC..Hα-helixtrans-58.3-42.7177.400000111.1S353 V355 C360 V361 H387S353-G357 PolarHBondContact O-N 3.14Å; V355-G357 PolarHBondContact O-N 3.44Å; G357-C360 PolarHBondContact O-N 3.19Å; G357-V361 WeakPolarHBondContact O-CB 3.35Å; G357-V361 VanDerWaalsContact O-CG2 3.27Å; G357-V361 WeakPolarHBondContact O-CG2 3.47Å; G357-V361 PolarHBondContact O-N 3.42Å; G357-H387 WeakPolarHBondContact CA-NE2 3.4Å
358L92.2Very high85.5Confident0 Ų029.4 Ų29.40%017%0.168CC..Hα-helixtrans-66.6-46.4178.2-17759.1000112.3I354 V355 D356 C360 V361 H362 L388 I391 I472 T475 L476I354-L358 VanDerWaalsContact O-CB 3.28Å; I354-L358 WeakPolarHBondContact O-CB 3.37Å; I354-L358 PolarHBondContact O-N 2.95Å; V355-L358 PolarHBondContact O-N 3.37Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 2.88Å; L358-C360 VanDerWaalsContact C-N 3.31Å; L358-C360 PolarHBondContact O-N 2.66Å; L358-V361 PolarHBondContact O-N 2.88Å; L358-H362 WeakPolarHBondContact O-CB 3.48Å; L358-H362 PolarHBondContact O-N 3.03Å; L358-L388 HydrophobicContact CD1-CD1 3.78Å; L358-I391 HydrophobicContact CB-CD1 4.06Å; L358-I472 HydrophobicContact CD2-CB 4.25Å; L358-I472 HydrophobicContact CD2-CG1 4.47Å; L358-I472 HydrophobicContact CD2-CG2 3.77Å; L358-I472 WeakPolarHBondContact CD2-O 3.05Å; L358-T475 HydrophobicContact CD1-CG2 4.28Å; L358-T475 HydrophobicContact CD2-CG2 4.02Å; L358-T475 HydrophobicContact CG-CG2 3.72Å; L358-L476 HydrophobicContact CD1-CB 4.41Å; L358-L476 HydrophobicContact CD2-CB 4.42Å
359H92Very high85.4Confident6 Ų627.6 Ų27.63%0.02815%0.15CC..Hα-helixtrans-65.5-36.1176.6-65.5135.5000112.2S318 F321 V355 D356 H362 T363 H471S318-H359 PolarHBondContact OG-CE1 3.43Å; S318-H359 VanDerWaalsContact OG-CE1 3.31Å; S318-H359 PolarHBondContact OG-ND1 3.1Å; F321-H359 HydrophobicContact CB-CB 3.82Å; V355-H359 WeakPolarHBondContact CG1-CE1 3.41Å; V355-H359 PolarHBondContact O-N 3.28Å; V355-H359 PolarHBondContact O-ND1 2.93Å; D356-H359 PolarHBondContact O-N 3.42Å; H359-H362 PolarHBondContact O-N 3.03Å; H359-T363 WeakPolarHBondContact O-CB 3.36Å; H359-T363 PolarHBondContact O-N 2.77Å; H359-T363 PolarHBondContact O-OG1 3.32Å; H359-H471 AromaticContact CE1-NE2 3.82Å; H359-H471 AromaticContact NE2-CD2 3.6Å; H359-H471 AromaticContact NE2-NE2 3.1Å; H359-H471 PolarHBondContact NE2-NE2 2.89Å
360C91.6Very high85.2Confident1 Ų123 Ų231%0.00713%0.132CC..Hα-helixtrans-62.1-48.6174.5-174.70000111.4F321 L343 V347 D356 G357 L358 T363 A364F321-C360 HydrophobicContact CD2-CB 4.16Å; F321-C360 HydrophobicContact CE2-CB 4.25Å; L343-C360 HydrophobicContact CD2-CB 4.4Å; L343-C360 WeakPolarHBondContact CD2-SG 3.29Å; L343-C360 PolarHBondContact O-SG 3.37Å; L343-C360 VanDerWaalsContact O-SG 3.35Å; V347-C360 HydrophobicContact CG2-CB 4.35Å; D356-C360 WeakPolarHBondContact O-CB 3.31Å; D356-C360 PolarHBondContact O-N 3.29Å; G357-C360 PolarHBondContact O-N 3.19Å; L358-C360 VanDerWaalsContact C-N 3.31Å; L358-C360 PolarHBondContact O-N 2.66Å; C360-T363 PolarHBondContact O-N 2.8Å; C360-A364 PolarHBondContact O-N 2.71Å
361V93Very high85.1Confident0 Ų017.6 Ų17.60%011%0.112CC..Hα-helixtrans-61.4-46.1174.7167.70000111.1V347 G357 L358 T363 A364 L365 F384 H387 L388V347-V361 HydrophobicContact CG2-CG2 4.34Å; G357-V361 WeakPolarHBondContact O-CB 3.35Å; G357-V361 VanDerWaalsContact O-CG2 3.27Å; G357-V361 WeakPolarHBondContact O-CG2 3.47Å; G357-V361 PolarHBondContact O-N 3.42Å; L358-V361 PolarHBondContact O-N 2.88Å; V361-T363 VanDerWaalsContact C-N 3.28Å; V361-T363 PolarHBondContact O-N 3.32Å; V361-A364 PolarHBondContact O-N 3.4Å; V361-L365 HydrophobicContact CG1-CD1 3.72Å; V361-L365 HydrophobicContact CG1-CG 4.15Å; V361-L365 WeakPolarHBondContact O-CB 3.42Å; V361-L365 VanDerWaalsContact O-CG 3.32Å; V361-L365 WeakPolarHBondContact O-CG 3.41Å; V361-L365 PolarHBondContact O-N 3.47Å; V361-F384 HydrophobicContact CG1-CB 4.35Å; V361-F384 HydrophobicContact CG2-CB 4.32Å; V361-F384 HydrophobicContact CG2-CD1 4.17Å; V361-H387 HydrophobicContact CG2-CB 4.1Å; V361-L388 HydrophobicContact CG1-CB 4.16Å; V361-L388 HydrophobicContact CG1-CD1 4.28Å
362H93.7Very high84.3Confident26 Ų2621.1 Ų21.112%0.1213%0.125CC..Hα-helixtrans-58-43.8178.3-177.1-116000111.5S325 L358 H359 S366 T475 S478 C479S325-H362 VanDerWaalsContact CB-ND1 3.26Å; S325-H362 WeakPolarHBondContact CB-ND1 3.47Å; S325-H362 PolarHBondContact OG-CE1 3.36Å; S325-H362 PolarHBondContact OG-ND1 3.35Å; S325-H362 VanDerWaalsContact OG-ND1 3.14Å; L358-H362 WeakPolarHBondContact O-CB 3.48Å; L358-H362 PolarHBondContact O-N 3.03Å; H359-H362 PolarHBondContact O-N 3.03Å; H362-S366 WeakPolarHBondContact O-CB 3.35Å; H362-S366 PolarHBondContact O-N 3.48Å; H362-S366 PolarHBondContact O-OG 3.5Å; H362-T475 HydrophobicContact CB-CG2 3.85Å; H362-S478 PolarHBondContact NE2-OG 3.48Å; H362-S478 VanDerWaalsContact NE2-OG 3.1Å; H362-C479 VanDerWaalsContact CA-SG 3.56Å; H362-C479 VanDerWaalsContact CB-SG 3.56Å
363T91.7Very high83.1Confident0 Ų021.4 Ų21.40%013%0.13CC..Hα-helixtrans-63.2-48.3177.4-55.40000111.3F321 L324 L343 H359 C360 V361 S366 I367F321-T363 WeakPolarHBondContact CB-OG1 3.48Å; F321-T363 HydrophobicContact CD1-CG2 4.4Å; F321-T363 PolarHBondContact O-OG1 2.93Å; L324-T363 HydrophobicContact CB-CG2 3.74Å; L343-T363 HydrophobicContact CD1-CG2 4.2Å; L343-T363 HydrophobicContact CD2-CG2 4.35Å; H359-T363 WeakPolarHBondContact O-CB 3.36Å; H359-T363 PolarHBondContact O-N 2.77Å; H359-T363 PolarHBondContact O-OG1 3.32Å; C360-T363 PolarHBondContact O-N 2.8Å; V361-T363 VanDerWaalsContact C-N 3.28Å; V361-T363 PolarHBondContact O-N 3.32Å; T363-S366 PolarHBondContact O-N 3.47Å; T363-I367 HydrophobicContact CG2-CD1 3.8Å; T363-I367 WeakPolarHBondContact O-CD1 3.5Å; T363-I367 VanDerWaalsContact O-CG1 3.23Å; T363-I367 WeakPolarHBondContact O-CG1 3.36Å; T363-I367 PolarHBondContact O-N 2.89Å
364A91.5Very high81.7Confident0 Ų023.7 Ų23.70%015%0.146CC..Hα-helixtrans-57.8-52.2177.200000111.5M340 L343 C360 V361 S366 I367 I368 F384M340-A364 HydrophobicContact CE-CB 4.22Å; M340-A364 HydrophobicContact SD-CB 4.28Å; L343-A364 HydrophobicContact CD1-CB 3.92Å; C360-A364 PolarHBondContact O-N 2.71Å; V361-A364 PolarHBondContact O-N 3.4Å; A364-S366 VanDerWaalsContact C-N 3.3Å; A364-S366 PolarHBondContact O-N 3.15Å; A364-I367 PolarHBondContact O-N 3.28Å; A364-I368 VanDerWaalsContact O-CG1 3.23Å; A364-I368 WeakPolarHBondContact O-CG1 3.2Å; A364-I368 PolarHBondContact O-N 3.04Å; A364-F384 HydrophobicContact CB-CD1 3.62Å; A364-F384 HydrophobicContact CB-CD2 3.98Å; A364-F384 HydrophobicContact CB-CE1 3.51Å; A364-F384 HydrophobicContact CB-CE2 3.87Å; A364-F384 HydrophobicContact CB-CG 3.86Å; A364-F384 HydrophobicContact CB-CZ 3.63Å
365L90.6Very high80.3Confident1 Ų128.5 Ų28.51%0.00517%0.172CC..Hα-helixtrans-61.4-39.8179.1-68.5178.4000112V361 I368 S369 C479 I482 L483V361-L365 HydrophobicContact CG1-CD1 3.72Å; V361-L365 HydrophobicContact CG1-CG 4.15Å; V361-L365 WeakPolarHBondContact O-CB 3.42Å; V361-L365 VanDerWaalsContact O-CG 3.32Å; V361-L365 WeakPolarHBondContact O-CG 3.41Å; V361-L365 PolarHBondContact O-N 3.47Å; L365-I368 PolarHBondContact O-N 3.03Å; L365-S369 VanDerWaalsContact O-CB 3.27Å; L365-S369 WeakPolarHBondContact O-CB 3.32Å; L365-S369 PolarHBondContact O-N 3.05Å; L365-S369 PolarHBondContact O-OG 3.18Å; L365-C479 HydrophobicContact CD1-CB 3.98Å; L365-I482 HydrophobicContact CB-CB 4.36Å; L365-I482 HydrophobicContact CB-CD1 4.37Å; L365-I482 HydrophobicContact CB-CG2 3.86Å; L365-L483 HydrophobicContact CD1-CB 4.3Å; L365-L483 HydrophobicContact CD1-CD1 4.37Å
366S89.5Confident78.6Confident11 Ų1127.2 Ų27.28%0.07716%0.164CC..Hα-helixtrans-62.8-44.2177.9-62.20000111.1H362 T363 A364 S369 S370H362-S366 WeakPolarHBondContact O-CB 3.35Å; H362-S366 PolarHBondContact O-N 3.48Å; H362-S366 PolarHBondContact O-OG 3.5Å; T363-S366 PolarHBondContact O-N 3.47Å; A364-S366 VanDerWaalsContact C-N 3.3Å; A364-S366 PolarHBondContact O-N 3.15Å; S366-S369 PolarHBondContact O-N 2.87Å; S366-S369 PolarHBondContact O-OG 3.24Å; S366-S370 VanDerWaalsContact O-CB 3.22Å; S366-S370 WeakPolarHBondContact O-CB 3.48Å; S366-S370 PolarHBondContact O-N 3.13Å; S366-S370 PolarHBondContact O-OG 2.99Å
367I88.2Confident77Confident2 Ų233 Ų331%0.0119%0.194CC..Hα-helixtrans-62.4-50.5176.5-66.7158.8000110.8A328 I331 V336 L339 L343 T363 A364 S369 S370 S371A328-I367 HydrophobicContact CB-CG1 4.02Å; I331-I367 HydrophobicContact CD1-CG1 4.4Å; V336-I367 HydrophobicContact CG1-CG2 3.76Å; V336-I367 HydrophobicContact CG2-CG2 4.08Å; L339-I367 HydrophobicContact CD2-CD1 3.33Å; L339-I367 HydrophobicContact CD2-CG1 4.44Å; L339-I367 HydrophobicContact CG-CD1 3.82Å; L343-I367 HydrophobicContact CD1-CD1 4.05Å; T363-I367 HydrophobicContact CG2-CD1 3.8Å; T363-I367 WeakPolarHBondContact O-CD1 3.5Å; T363-I367 VanDerWaalsContact O-CG1 3.23Å; T363-I367 WeakPolarHBondContact O-CG1 3.36Å; T363-I367 PolarHBondContact O-N 2.89Å; A364-I367 PolarHBondContact O-N 3.28Å; I367-S369 PolarHBondContact O-N 3.18Å; I367-S370 PolarHBondContact O-N 3Å; I367-S370 VanDerWaalsContact O-N 3.08Å; I367-S370 PolarHBondContact O-OG 3.33Å; I367-S371 PolarHBondContact O-N 3.27Å
368I84.6Confident75.5Confident13 Ų1338.7 Ų38.77%0.06723%0.229CC..Hα-helixtrans-62.4-35.4-179.8-51.9159000110.5M340 A364 L365 S370 V376 P381M340-I368 HydrophobicContact CE-CD1 3.85Å; M340-I368 HydrophobicContact CE-CG1 4Å; A364-I368 VanDerWaalsContact O-CG1 3.23Å; A364-I368 WeakPolarHBondContact O-CG1 3.2Å; A364-I368 PolarHBondContact O-N 3.04Å; L365-I368 PolarHBondContact O-N 3.03Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.17Å; I368-V376 HydrophobicContact CG2-CG1 4.24Å; I368-P381 HydrophobicContact CD1-CB 4.49Å
369S82.5Confident74.4Confident41 Ų4140.4 Ų40.429%0.28724%0.239SC..Hα-helixtrans-76-17178.175.40000115L365 S366 I367L365-S369 VanDerWaalsContact O-CB 3.27Å; L365-S369 WeakPolarHBondContact O-CB 3.32Å; L365-S369 PolarHBondContact O-N 3.05Å; L365-S369 PolarHBondContact O-OG 3.18Å; S366-S369 PolarHBondContact O-N 2.87Å; S366-S369 PolarHBondContact O-OG 3.24Å; I367-S369 PolarHBondContact O-N 3.18Å
370S77Confident73.6Confident18 Ų1844.6 Ų44.613%0.12626%0.262CS..Hα-helixtrans-95-21.6-173.170.30000114A328 S366 I367 I368 D372A328-S370 PolarHBondContact O-OG 2.66Å; S366-S370 VanDerWaalsContact O-CB 3.22Å; S366-S370 WeakPolarHBondContact O-CB 3.48Å; S366-S370 PolarHBondContact O-N 3.13Å; S366-S370 PolarHBondContact O-OG 2.99Å; I367-S370 PolarHBondContact O-N 3Å; I367-S370 VanDerWaalsContact O-N 3.08Å; I367-S370 PolarHBondContact O-OG 3.33Å; I368-S370 VanDerWaalsContact C-N 3.32Å; I368-S370 PolarHBondContact O-N 3.17Å; S370-D372 PolarHBondContact O-N 3.05Å
371S64.1Low73.1Confident28 Ų2845.8 Ų45.820%0.19627%0.269CS..  trans-84.997.2177.9-160.80000108.1I367 A373 V376I367-S371 PolarHBondContact O-N 3.27Å; S371-A373 PolarHBondContact O-N 2.98Å; S371-A373 WeakPolarHBondContact OG-CB 3.32Å; S371-V376 WeakPolarHBondContact OG-CG2 3.39Å
372D53.2Low72.9Confident154 Ų15447.2 Ų47.282%0.82428%0.279SS*.  trans-62-5.2166.6-64.1-40.3000111.7S370 S374S370-D372 PolarHBondContact O-N 3.05Å; D372-S374 PolarHBondContact O-N 3.36Å
373A48.7Very low72.7Confident31 Ų3148.9 Ų48.926%0.25629%0.291SS..  trans-71.6117.4175.700000110S371 D375 V376S371-A373 PolarHBondContact O-N 2.98Å; S371-A373 WeakPolarHBondContact OG-CB 3.32Å; A373-D375 HydrophobicContact CB-CB 4.34Å; A373-D375 PolarHBondContact O-N 3.31Å; A373-V376 PolarHBondContact O-N 2.91Å; A373-V376 VanDerWaalsContact O-N 3.1Å
374S49.6Very low72.6Confident87 Ų8748.9 Ų48.961%0.60829%0.291SS*.THydrogen-bonded Turntrans-41.4-21.2162.5-174.60000114D372 L377D372-S374 PolarHBondContact O-N 3.36Å; S374-L377 WeakPolarHBondContact O-CB 3.44Å; S374-L377 PolarHBondContact O-N 3.28Å
375D52.2Low72.6Confident127 Ų12749 Ų4968%0.67929%0.291SS*.THydrogen-bonded Turntrans-70.5-31.3-177.6-59.9-24.7000113.4A373 T378A373-D375 HydrophobicContact CB-CB 4.34Å; A373-D375 PolarHBondContact O-N 3.31Å; D375-T378 PolarHBondContact O-OG1 2.84Å
376V49.9Very low72.7Confident14 Ų1450.9 Ų50.99%0.08530%0.301CS..G310 helixtrans-86.4-11.8179.2-171.10000112.2V336 I368 S371 A373 T378 T379V336-V376 HydrophobicContact CG1-CG1 4.4Å; V336-V376 HydrophobicContact CG1-CG2 4.39Å; I368-V376 HydrophobicContact CG2-CG1 4.24Å; S371-V376 WeakPolarHBondContact OG-CG2 3.39Å; A373-V376 PolarHBondContact O-N 2.91Å; A373-V376 VanDerWaalsContact O-N 3.1Å; V376-T378 PolarHBondContact O-N 3.18Å; V376-T379 PolarHBondContact O-N 3.33Å
377L51.5Low72.7Confident131 Ų13151.8 Ų51.869%0.68630%0.304SS*.G310 helixtrans-56.9-16.8172.7-64.1175.6000112.8S374 T379S374-L377 WeakPolarHBondContact O-CB 3.44Å; S374-L377 PolarHBondContact O-N 3.28Å; L377-T379 VanDerWaalsContact C-N 3.29Å; L377-T379 PolarHBondContact O-N 3.15Å
378T57.7Low73Confident122 Ų12251.7 Ų51.775%0.74830%0.304SS*.G310 helixtrans-73.9-15.9175.560.40000113.8D375 V376 D380D375-T378 PolarHBondContact O-OG1 2.84Å; V376-T378 PolarHBondContact O-N 3.18Å; T378-D380 PolarHBondContact O-N 3.44Å
379T69.6Low73.4Confident35 Ų3551.1 Ų51.122%0.21530%0.301CS..SBendtrans-85.6111.9-178.6-54.10000111.2M340 V376 L377 P381M340-T379 HydrophobicContact CE-CG2 3.75Å; V376-T379 PolarHBondContact O-N 3.33Å; L377-T379 VanDerWaalsContact C-N 3.29Å; L377-T379 PolarHBondContact O-N 3.15Å; T379-P381 WeakPolarHBondContact O-CD 3.35Å
380D75Confident73.7Confident95 Ų9550.4 Ų50.451%0.50830%0.295SS..  trans-64.8119.6176.2-177.710.6000111.6T378 T382T378-D380 PolarHBondContact O-N 3.44Å; D380-T382 VanDerWaalsContact C-N 3.27Å; D380-T382 PolarHBondContact O-N 3.46Å; D380-T382 WeakPolarHBondContact OD1-CB 3.28Å; D380-T382 WeakPolarHBondContact OD1-CG2 3.48Å; D380-T382 PolarHBondContact OD1-N 2.66Å; D380-T382 PolarHBondContact OD1-OG1 3.02Å; D380-T382 WeakPolarHBondContact OD2-CB 3.46Å; D380-T382 VanDerWaalsContact OD2-CG2 3.29Å; D380-T382 WeakPolarHBondContact OD2-CG2 3.45Å; D380-T382 PolarHBondContact OD2-OG1 3.16Å
381P82.2Confident74.3Confident25 Ų2549.8 Ų49.816%0.16229%0.29CS..  trans-79.4-2.217834.6-37.8000113.7I368 T379 T383 F384 C385I368-P381 HydrophobicContact CD1-CB 4.49Å; T379-P381 WeakPolarHBondContact O-CD 3.35Å; P381-T383 VanDerWaalsContact C-N 3.3Å; P381-T383 PolarHBondContact O-N 3.39Å; P381-F384 PolarHBondContact O-N 3.36Å; P381-F384 VanDerWaalsContact O-N 3.09Å; P381-C385 PolarHBondContact O-N 2.87Å; P381-C385 PolarHBondContact O-SG 2.83Å
382T87.7Confident75.6Confident31 Ų3148.5 Ų48.519%0.1928%0.281CS..Hα-helixtrans-49.9-44.4-174.552.20000113.9D380 F384 C385 N386D380-T382 VanDerWaalsContact C-N 3.27Å; D380-T382 PolarHBondContact O-N 3.46Å; D380-T382 WeakPolarHBondContact OD1-CB 3.28Å; D380-T382 WeakPolarHBondContact OD1-CG2 3.48Å; D380-T382 PolarHBondContact OD1-N 2.66Å; D380-T382 PolarHBondContact OD1-OG1 3.02Å; D380-T382 WeakPolarHBondContact OD2-CB 3.46Å; D380-T382 VanDerWaalsContact OD2-CG2 3.29Å; D380-T382 WeakPolarHBondContact OD2-CG2 3.45Å; D380-T382 PolarHBondContact OD2-OG1 3.16Å; T382-F384 VanDerWaalsContact C-N 3.34Å; T382-F384 PolarHBondContact O-N 3.39Å; T382-C385 WeakPolarHBondContact O-CB 3.07Å; T382-C385 PolarHBondContact O-N 3.05Å; T382-N386 WeakPolarHBondContact O-CB 3.31Å; T382-N386 VanDerWaalsContact O-CG 3.24Å; T382-N386 PolarHBondContact O-N 3.26Å; T382-N386 PolarHBondContact O-OD1 3.24Å
383T89Confident77.1Confident61 Ų6141.1 Ų41.137%0.37424%0.242SC..Hα-helixtrans-59.4-45.4-179.357.90000111.5N344 P381 H387N344-T383 PolarHBondContact OD1-OG1 3.17Å; P381-T383 VanDerWaalsContact C-N 3.3Å; P381-T383 PolarHBondContact O-N 3.39Å; T383-H387 WeakPolarHBondContact O-CB 3.43Å; T383-H387 PolarHBondContact O-N 2.9Å
384F91.3Very high78.7Confident0 Ų040 Ų400%023%0.231CC..Hα-helixtrans-72.7-35.8178-58.6-71.6000112M340 L343 N344 V347 V361 A364 P381 T382 H387 L388M340-F384 HydrophobicContact CE-CD2 4.3Å; M340-F384 HydrophobicContact CE-CE2 3.39Å; M340-F384 HydrophobicContact CE-CZ 3.86Å; L343-F384 HydrophobicContact CB-CE1 3.98Å; L343-F384 HydrophobicContact CB-CZ 4.01Å; N344-F384 HydrophobicContact CB-CZ 4.41Å; N344-F384 WeakPolarHBondContact OD1-CE2 3.44Å; N344-F384 VanDerWaalsContact OD1-CZ 3.3Å; N344-F384 WeakPolarHBondContact OD1-CZ 3.41Å; V347-F384 HydrophobicContact CG2-CD1 3.93Å; V347-F384 HydrophobicContact CG2-CE1 3.89Å; V361-F384 HydrophobicContact CG1-CB 4.35Å; V361-F384 HydrophobicContact CG2-CB 4.32Å; V361-F384 HydrophobicContact CG2-CD1 4.17Å; A364-F384 HydrophobicContact CB-CD1 3.62Å; A364-F384 HydrophobicContact CB-CD2 3.98Å; A364-F384 HydrophobicContact CB-CE1 3.51Å; A364-F384 HydrophobicContact CB-CE2 3.87Å; A364-F384 HydrophobicContact CB-CG 3.86Å; A364-F384 HydrophobicContact CB-CZ 3.63Å; P381-F384 PolarHBondContact O-N 3.36Å; P381-F384 VanDerWaalsContact O-N 3.09Å; T382-F384 VanDerWaalsContact C-N 3.34Å; T382-F384 PolarHBondContact O-N 3.39Å; F384-H387 PolarHBondContact O-N 2.72Å; F384-L388 WeakPolarHBondContact O-CB 3.11Å; F384-L388 PolarHBondContact O-N 3.5Å
385C90.6Very high80.3Confident1 Ų136.4 Ų36.41%0.00721%0.206CC..Hα-helixtrans-60-49.7173-660000111.1P381 T382 H387 L388 Y389 L483P381-C385 PolarHBondContact O-N 2.87Å; P381-C385 PolarHBondContact O-SG 2.83Å; T382-C385 WeakPolarHBondContact O-CB 3.07Å; T382-C385 PolarHBondContact O-N 3.05Å; C385-H387 VanDerWaalsContact C-N 3.29Å; C385-H387 PolarHBondContact O-N 3Å; C385-L388 PolarHBondContact O-N 3.32Å; C385-Y389 WeakPolarHBondContact O-CB 3.22Å; C385-Y389 PolarHBondContact O-N 3.1Å; C385-L483 HydrophobicContact CB-CD1 4.06Å; C385-L483 WeakPolarHBondContact SG-CD1 3.16Å
386N91.8Very high81.5Confident41 Ų4131.1 Ų31.122%0.21918%0.18CC..Hα-helixtrans-66.2-35.6-179-67.33.2000110.8T382 Y389 T390 P554T382-N386 WeakPolarHBondContact O-CB 3.31Å; T382-N386 VanDerWaalsContact O-CG 3.24Å; T382-N386 PolarHBondContact O-N 3.26Å; T382-N386 PolarHBondContact O-OD1 3.24Å; N386-Y389 PolarHBondContact O-N 3.49Å; N386-T390 WeakPolarHBondContact O-CB 3.39Å; N386-T390 PolarHBondContact O-N 3.46Å; N386-T390 PolarHBondContact O-OG1 2.95Å; N386-P554 WeakPolarHBondContact OD1-CD 3.45Å
387H91.5Very high82.6Confident30 Ų3032 Ų3214%0.13919%0.191CC..Hα-helixtrans-69.1-41.3173.8-161.171.5000112.9V347 G357 V361 T383 F384 C385 Y389 T390 I391V347-H387 HydrophobicContact CG1-CB 3.53Å; V347-H387 VanDerWaalsContact CG1-CG 3.47Å; G357-H387 WeakPolarHBondContact CA-NE2 3.4Å; V361-H387 HydrophobicContact CG2-CB 4.1Å; T383-H387 WeakPolarHBondContact O-CB 3.43Å; T383-H387 PolarHBondContact O-N 2.9Å; F384-H387 PolarHBondContact O-N 2.72Å; C385-H387 VanDerWaalsContact C-N 3.29Å; C385-H387 PolarHBondContact O-N 3Å; H387-Y389 VanDerWaalsContact C-N 3.29Å; H387-Y389 PolarHBondContact O-N 3.28Å; H387-T390 WeakPolarHBondContact O-CB 3.35Å; H387-T390 PolarHBondContact O-N 2.9Å; H387-I391 WeakPolarHBondContact O-CG1 3.44Å; H387-I391 PolarHBondContact O-N 3.39Å
388L93.3Very high83.3Confident1 Ų128.4 Ų28.41%0.00517%0.174CC..Hα-helixtrans-60.2-42.9173-172.164.2000111.1L358 V361 F384 C385 T390 I391 L392 C479 L480 L483 F499L358-L388 HydrophobicContact CD1-CD1 3.78Å; V361-L388 HydrophobicContact CG1-CB 4.16Å; V361-L388 HydrophobicContact CG1-CD1 4.28Å; F384-L388 WeakPolarHBondContact O-CB 3.11Å; F384-L388 PolarHBondContact O-N 3.5Å; C385-L388 PolarHBondContact O-N 3.32Å; L388-T390 VanDerWaalsContact C-N 3.33Å; L388-T390 PolarHBondContact O-N 3.49Å; L388-I391 PolarHBondContact O-N 3.17Å; L388-L392 PolarHBondContact O-N 3.11Å; L388-C479 HydrophobicContact CD1-CB 3.85Å; L388-C479 HydrophobicContact CD2-CB 3.78Å; L388-C479 HydrophobicContact CG-CB 4.5Å; L388-L480 HydrophobicContact CD2-CD2 3.99Å; L388-L483 HydrophobicContact CD2-CD1 3.76Å; L388-F499 HydrophobicContact CB-CE1 4.31Å; L388-F499 HydrophobicContact CB-CZ 4.43Å; L388-F499 HydrophobicContact CD2-CE1 4.02Å; L388-F499 HydrophobicContact CD2-CZ 4.39Å; L388-F499 HydrophobicContact CG-CE1 4.06Å
389Y93.4Very high83.6Confident0 Ų022.8 Ų22.80%014%0.14CC..Hα-helixtrans-60.8-43.8175.8-170.2-115.9000111C385 N386 H387 L392 G393 A498 F499 R502 V551 P554 C557C385-Y389 WeakPolarHBondContact O-CB 3.22Å; C385-Y389 PolarHBondContact O-N 3.1Å; N386-Y389 PolarHBondContact O-N 3.49Å; H387-Y389 VanDerWaalsContact C-N 3.29Å; H387-Y389 PolarHBondContact O-N 3.28Å; Y389-L392 PolarHBondContact O-N 3.46Å; Y389-G393 PolarHBondContact O-N 3.36Å; Y389-A498 HydrophobicContact CE2-CB 3.7Å; Y389-A498 WeakPolarHBondContact CE2-O 3.33Å; Y389-F499 HydrophobicContact CD2-CD1 4.04Å; Y389-F499 HydrophobicContact CD2-CD2 4.44Å; Y389-F499 HydrophobicContact CD2-CE1 4.01Å; Y389-F499 HydrophobicContact CD2-CE2 4.4Å; Y389-F499 HydrophobicContact CD2-CG 4.26Å; Y389-F499 HydrophobicContact CD2-CZ 4.19Å; Y389-F499 HydrophobicContact CG-CZ 4.46Å; Y389-R502 VanDerWaalsContact C-NH1 3.27Å; Y389-R502 VanDerWaalsContact CD1-CZ 3.43Å; Y389-R502 HydrophobicContact CD2-CG 4.39Å; Y389-R502 HydrophobicContact CE2-CB 4.1Å; Y389-R502 HydrophobicContact CE2-CG 3.58Å; Y389-R502 VanDerWaalsContact CZ-CZ 3.41Å; Y389-R502 PolarHBondContact O-NH1 2.88Å; Y389-R502 PolarHBondContact OH-NE 3.49Å; Y389-R502 VanDerWaalsContact OH-NE 3.15Å; Y389-V551 WeakPolarHBondContact CE1-O 3.43Å; Y389-P554 HydrophobicContact CD1-CB 4.01Å; Y389-P554 HydrophobicContact CD1-CG 4.38Å; Y389-P554 HydrophobicContact CD2-CB 4.01Å; Y389-P554 HydrophobicContact CE1-CB 4.11Å; Y389-P554 HydrophobicContact CE2-CB 4.13Å; Y389-P554 HydrophobicContact CG-CB 3.97Å; Y389-P554 HydrophobicContact CG-CG 4.29Å; Y389-C557 PolarHBondContact OH-SG 3.3Å
390T89.7Confident83Confident27 Ų2722.7 Ų22.717%0.16614%0.139CC..Hα-helixtrans-60.4-46.2174.4-560000111.7N386 H387 L388 L392 G393 C394 N552N386-T390 WeakPolarHBondContact O-CB 3.39Å; N386-T390 PolarHBondContact O-N 3.46Å; N386-T390 PolarHBondContact O-OG1 2.95Å; H387-T390 WeakPolarHBondContact O-CB 3.35Å; H387-T390 PolarHBondContact O-N 2.9Å; L388-T390 VanDerWaalsContact C-N 3.33Å; L388-T390 PolarHBondContact O-N 3.49Å; T390-L392 VanDerWaalsContact C-N 3.34Å; T390-L392 PolarHBondContact O-N 3.43Å; T390-G393 CarbonylContact O-C 3.55Å; T390-G393 WeakPolarHBondContact O-CA 3.46Å; T390-G393 PolarHBondContact O-N 2.86Å; T390-G393 VanDerWaalsContact O-N 3.14Å; T390-C394 PolarHBondContact O-N 3.31Å; T390-C394 PolarHBondContact O-SG 2.88Å; T390-N552 WeakPolarHBondContact OG1-CB 3.04Å
391I89.7Confident81.8Confident4 Ų419.8 Ų19.82%0.02113%0.126CC..Hα-helixtrans-58.7-45.7177.1-73.8162.5000110.9I354 L358 H387 L388 G393 C394 I395I354-I391 HydrophobicContact CG2-CG2 3.86Å; L358-I391 HydrophobicContact CB-CD1 4.06Å; H387-I391 WeakPolarHBondContact O-CG1 3.44Å; H387-I391 PolarHBondContact O-N 3.39Å; L388-I391 PolarHBondContact O-N 3.17Å; I391-G393 VanDerWaalsContact C-N 3.3Å; I391-G393 PolarHBondContact O-N 3.43Å; I391-C394 WeakPolarHBondContact O-CB 3.13Å; I391-C394 PolarHBondContact O-N 2.95Å; I391-C394 VanDerWaalsContact O-N 3.15Å; I391-I395 HydrophobicContact CG2-CD1 4.12Å; I391-I395 WeakPolarHBondContact O-CG1 3.3Å; I391-I395 PolarHBondContact O-N 3.37Å
392L89.8Confident79.9Confident1 Ų122.4 Ų22.41%0.00514%0.139CC..Hα-helixtrans-63.5-38.2177.3-170.264.1000111.6L388 Y389 T390 I395 A396 L476 F499 R502 L503 A506L388-L392 PolarHBondContact O-N 3.11Å; Y389-L392 PolarHBondContact O-N 3.46Å; T390-L392 VanDerWaalsContact C-N 3.34Å; T390-L392 PolarHBondContact O-N 3.43Å; L392-I395 PolarHBondContact O-N 3.45Å; L392-A396 WeakPolarHBondContact O-CB 3.48Å; L392-A396 PolarHBondContact O-N 2.86Å; L392-L476 HydrophobicContact CD1-CD1 3.8Å; L392-L476 HydrophobicContact CD1-CD2 4.15Å; L392-F499 HydrophobicContact CD2-CD1 4.1Å; L392-R502 HydrophobicContact CB-CB 4.46Å; L392-R502 HydrophobicContact CD2-CB 3.59Å; L392-R502 HydrophobicContact CG-CB 3.8Å; L392-L503 HydrophobicContact CD2-CB 4.08Å; L392-A506 HydrophobicContact CD1-CB 3.53Å; L392-A506 HydrophobicContact CG-CB 4.29Å
393G85.4Confident77.8Confident0 Ų024 Ų240%015%0.149CC..Hα-helixtrans-64.5-36.8172.300000113.4Y389 T390 I391 A396 G397 V398 C399Y389-G393 PolarHBondContact O-N 3.36Å; T390-G393 CarbonylContact O-C 3.55Å; T390-G393 WeakPolarHBondContact O-CA 3.46Å; T390-G393 PolarHBondContact O-N 2.86Å; T390-G393 VanDerWaalsContact O-N 3.14Å; I391-G393 VanDerWaalsContact C-N 3.3Å; I391-G393 PolarHBondContact O-N 3.43Å; G393-A396 PolarHBondContact O-N 2.7Å; G393-G397 PolarHBondContact O-N 2.66Å; G393-V398 PolarHBondContact O-N 2.63Å; G393-C399 PolarHBondContact O-N 3.2Å; G393-C399 VanDerWaalsContact O-N 3.12Å
394C81.9Confident75.4Confident6 Ų626.3 Ų26.34%0.04116%0.163CC..Hα-helixtrans-65.6-41.7173.7-69.70000111.8I354 T390 I391 A396 G397I354-C394 HydrophobicContact CD1-CB 3.8Å; I354-C394 HydrophobicContact CG1-CB 4.42Å; T390-C394 PolarHBondContact O-N 3.31Å; T390-C394 PolarHBondContact O-SG 2.88Å; I391-C394 WeakPolarHBondContact O-CB 3.13Å; I391-C394 PolarHBondContact O-N 2.95Å; I391-C394 VanDerWaalsContact O-N 3.15Å; C394-A396 VanDerWaalsContact C-N 3.34Å; C394-G397 PolarHBondContact O-N 2.83Å
395I82.5Confident72.9Confident13 Ų1333 Ų337%0.06720%0.195CC..Hα-helixtrans-64.4-41.1175.9-67.5167.3000110.7I391 L392 G397 M469 I472 L476 A506 A509 V510I391-I395 HydrophobicContact CG2-CD1 4.12Å; I391-I395 WeakPolarHBondContact O-CG1 3.3Å; I391-I395 PolarHBondContact O-N 3.37Å; L392-I395 PolarHBondContact O-N 3.45Å; I395-G397 PolarHBondContact O-N 2.96Å; I395-M469 HydrophobicContact CD1-CE 4.44Å; I395-M469 HydrophobicContact CG2-CE 3.59Å; I395-I472 HydrophobicContact CD1-CG2 3.92Å; I395-L476 HydrophobicContact CD1-CD1 3.66Å; I395-A506 HydrophobicContact CG2-CB 3.97Å; I395-A509 WeakPolarHBondContact O-CB 3Å; I395-V510 HydrophobicContact CG2-CG2 4.28Å
396A79.4Confident70.5Confident16 Ų1636 Ų3613%0.13222%0.215CC..THydrogen-bonded Turntrans-70.3-7.1176.200000114L392 G393 C394 V398 A506L392-A396 WeakPolarHBondContact O-CB 3.48Å; L392-A396 PolarHBondContact O-N 2.86Å; G393-A396 PolarHBondContact O-N 2.7Å; C394-A396 VanDerWaalsContact C-N 3.34Å; A396-V398 VanDerWaalsContact C-N 3.27Å; A396-V398 HydrophobicContact CB-CG2 3.97Å; A396-V398 PolarHBondContact O-N 3.17Å; A396-A506 HydrophobicContact CB-CB 4.34Å
397G71.2Confident67.9Low32 Ų3243.3 Ų43.333%0.3325%0.248SC..THydrogen-bonded Turntrans75.111.9-176.500000114.7G393 C394 I395G393-G397 PolarHBondContact O-N 2.66Å; C394-G397 PolarHBondContact O-N 2.83Å; I395-G397 PolarHBondContact O-N 2.96Å
398V67.1Low65.4Low55 Ų5547.1 Ų47.133%0.33327%0.27SS..SBendtrans-88.6-30.4-177.9-1790000111.8G393 A396 S549G393-V398 PolarHBondContact O-N 2.63Å; A396-V398 VanDerWaalsContact C-N 3.27Å; A396-V398 HydrophobicContact CB-CG2 3.97Å; A396-V398 PolarHBondContact O-N 3.17Å; V398-S549 WeakPolarHBondContact CG1-O 3.38Å
399C63.9Low63Low4 Ų451.1 Ų51.13%0.02730%0.303CS..  trans-118.8147.9-174.8-58.20000112.7G393 R502 N552G393-C399 PolarHBondContact O-N 3.2Å; G393-C399 VanDerWaalsContact O-N 3.12Å; C399-R502 PolarHBondContact SG-NH2 3.23Å; C399-R502 VanDerWaalsContact SG-NH2 3.44Å; C399-N552 PolarHBondContact SG-OD1 2.88Å
400V57Low60.6Low33 Ų3357 Ų5720%0.234%0.338CS..  trans-118132.1170.5-168.90000107.5N402 S415 K418 A419V400-N402 PolarHBondContact O-N 3.05Å; V400-N402 PolarHBondContact O-OD1 3.17Å; V400-S415 WeakPolarHBondContact CG2-O 3.38Å; V400-K418 HydrophobicContact CG1-CB 4.35Å; V400-A419 HydrophobicContact CG2-CB 3.96Å
401S49.9Very low58.7Low34 Ų3457.3 Ų57.324%0.23834%0.342CS..  trans-58.6123.1164.352.80000108.3T403 R422S401-T403 PolarHBondContact O-N 2.99Å; S401-T403 PolarHBondContact O-OG1 2.98Å; S401-R422 PolarHBondContact OG-NH2 2.91Å
402N42.6Very low56.7Low81 Ų8163.5 Ų63.543%0.43337%0.37SS..  trans-59.964.2-172.9-60.215.7000113.3V400 T404 E405V400-N402 PolarHBondContact O-N 3.05Å; V400-N402 PolarHBondContact O-OD1 3.17Å; N402-T404 PolarHBondContact O-N 3.41Å; N402-E405 PolarHBondContact ND2-OE1 2.94Å
403T42.2Very low54.9Low63 Ų6369.2 Ų69.239%0.38740%0.4SS..SBendtrans-76.5103.7166.254.40000105.4S401 K418S401-T403 PolarHBondContact O-N 2.99Å; S401-T403 PolarHBondContact O-OG1 2.98Å; T403-K418 PolarHBondContact OG1-NZ 3.4Å
404T39.5Very low53.5Low110 Ų11071.6 Ų71.668%0.67542%0.417SS*.  trans60.184.6174.663.60000114.4N402 S406N402-T404 PolarHBondContact O-N 3.41Å; T404-S406 PolarHBondContact O-N 3.49Å
405E39.3Very low52.3Low142 Ų14272.8 Ų72.866%0.66443%0.425SS*.  trans-59.293.5153.6-77160.1-156.900107.8N402N402-E405 PolarHBondContact ND2-OE1 2.94Å
406S39.3Very low51Low63 Ų6375.2 Ų75.244%0.44144%0.44SS..  trans-117.4115.4152.852.80000104.9T404 N408 S411T404-S406 PolarHBondContact O-N 3.49Å; S406-N408 PolarHBondContact O-N 3.38Å; S406-S411 WeakPolarHBondContact O-CB 3.38Å; S406-S411 PolarHBondContact O-OG 2.92Å
407E37.8Very low50.1Low194 Ų19475.9 Ų75.991%0.90744%0.441SS*.  trans-68.723.8-167.8-64.1-177.6143.600114.7
408N38.8Very low49.5Very low111 Ų11177.5 Ų77.559%0.59444%0.44SS*.  trans-87.2139.2-178.3-69.9-15.9000111.1S406 V410 S411S406-N408 PolarHBondContact O-N 3.38Å; N408-V410 PolarHBondContact O-N 2.91Å; N408-S411 WeakPolarHBondContact O-CA 3.11Å; N408-S411 WeakPolarHBondContact O-CB 3.33Å; N408-S411 PolarHBondContact O-N 2.93Å; N408-S411 PolarHBondContact O-OG 3.03Å
409A43Very low48.9Very low85 Ų8575.1 Ų75.170%0.70243%0.426SS*.Hα-helixtrans-53.2-25.5177.400000114.7S411 H412A409-S411 PolarHBondContact O-N 3.41Å; A409-H412 WeakPolarHBondContact O-CB 3.39Å; A409-H412 PolarHBondContact O-N 3.16Å; A409-H412 VanDerWaalsContact O-N 3.09Å
410V41.9Very low48.8Very low123 Ų12379 Ų7975%0.74544%0.44SS*.Hα-helixtrans-61.1-32.3170.7-177.50000111.6N408 H412 S414N408-V410 PolarHBondContact O-N 2.91Å; V410-H412 VanDerWaalsContact C-N 3.34Å; V410-S414 WeakPolarHBondContact O-CB 3.49Å; V410-S414 PolarHBondContact O-N 3.33Å; V410-S414 VanDerWaalsContact O-N 3.12Å
411S49.8Very low48.8Very low34 Ų3478.7 Ų78.724%0.23844%0.437CS..Hα-helixtrans-69.6-27.917485.60000112.6S406 N408 A409 S414 S415S406-S411 WeakPolarHBondContact O-CB 3.38Å; S406-S411 PolarHBondContact O-OG 2.92Å; N408-S411 WeakPolarHBondContact O-CA 3.11Å; N408-S411 WeakPolarHBondContact O-CB 3.33Å; N408-S411 PolarHBondContact O-N 2.93Å; N408-S411 PolarHBondContact O-OG 3.03Å; A409-S411 PolarHBondContact O-N 3.41Å; S411-S414 PolarHBondContact O-N 2.98Å; S411-S415 WeakPolarHBondContact O-CA 3.24Å; S411-S415 WeakPolarHBondContact O-CB 3.43Å; S411-S415 PolarHBondContact O-N 3.39Å; S411-S415 PolarHBondContact O-OG 3.37Å; S411-S415 VanDerWaalsContact O-OG 3.09Å
412H48.6Very low49.1Very low134 Ų13478.1 Ų78.162%0.6243%0.43SS*.Hα-helixtrans-67.4-45.4174.8-100.7-71.1000112A409 V410 S414 S415 V416A409-H412 WeakPolarHBondContact O-CB 3.39Å; A409-H412 PolarHBondContact O-N 3.16Å; A409-H412 VanDerWaalsContact O-N 3.09Å; V410-H412 VanDerWaalsContact C-N 3.34Å; H412-S414 VanDerWaalsContact C-N 3.35Å; H412-S415 WeakPolarHBondContact CA-OG 3.5Å; H412-S415 PolarHBondContact O-N 3.5Å; H412-S415 PolarHBondContact O-OG 2.89Å; H412-V416 WeakPolarHBondContact O-CB 3.5Å; H412-V416 WeakPolarHBondContact O-CG2 3.23Å; H412-V416 PolarHBondContact O-N 3.5Å
413L52.6Low49.9Very low120 Ų12075 Ų7563%0.62842%0.415SS*.Hα-helixtrans-64.7-44.1174.9-173.766.6000110.4S415 V416 I417L413-S415 VanDerWaalsContact C-N 3.3Å; L413-S415 PolarHBondContact O-N 3.03Å; L413-V416 PolarHBondContact O-N 3.41Å; L413-I417 HydrophobicContact CG-CD1 3.89Å; L413-I417 WeakPolarHBondContact O-CB 2.8Å; L413-I417 WeakPolarHBondContact O-CD1 3.11Å; L413-I417 WeakPolarHBondContact O-CG1 3.06Å; L413-I417 PolarHBondContact O-N 3.36Å
414S55.8Low50.7Low50 Ų5074.7 Ų74.735%0.3541%0.41SS..Hα-helixtrans-61-37175.6-172.40000112.7V410 S411 H412 K418V410-S414 WeakPolarHBondContact O-CB 3.49Å; V410-S414 PolarHBondContact O-N 3.33Å; V410-S414 VanDerWaalsContact O-N 3.12Å; S411-S414 PolarHBondContact O-N 2.98Å; H412-S414 VanDerWaalsContact C-N 3.35Å; S414-K418 WeakPolarHBondContact O-CB 3.47Å; S414-K418 VanDerWaalsContact O-CG 3.26Å; S414-K418 WeakPolarHBondContact O-CG 3.3Å; S414-K418 PolarHBondContact O-N 2.91Å
415S55.5Low51.8Low32 Ų3270.4 Ų70.422%0.22438%0.384CS..Hα-helixtrans-73.2-41.1179.469.80000111.4V400 S411 H412 L413 K418 A419V400-S415 WeakPolarHBondContact CG2-O 3.38Å; S411-S415 WeakPolarHBondContact O-CA 3.24Å; S411-S415 WeakPolarHBondContact O-CB 3.43Å; S411-S415 PolarHBondContact O-N 3.39Å; S411-S415 PolarHBondContact O-OG 3.37Å; S411-S415 VanDerWaalsContact O-OG 3.09Å; H412-S415 WeakPolarHBondContact CA-OG 3.5Å; H412-S415 PolarHBondContact O-N 3.5Å; H412-S415 PolarHBondContact O-OG 2.89Å; L413-S415 VanDerWaalsContact C-N 3.3Å; L413-S415 PolarHBondContact O-N 3.03Å; S415-K418 PolarHBondContact O-N 3.19Å; S415-A419 PolarHBondContact O-N 2.96Å
416V56.4Low53Low63 Ų6368.5 Ų68.538%0.38238%0.384SS..Hα-helixtrans-61-46.1171.7171.20000110.4H412 L413 K418 A419 Y420H412-V416 WeakPolarHBondContact O-CB 3.5Å; H412-V416 WeakPolarHBondContact O-CG2 3.23Å; H412-V416 PolarHBondContact O-N 3.5Å; L413-V416 PolarHBondContact O-N 3.41Å; V416-K418 PolarHBondContact O-N 3.37Å; V416-A419 WeakPolarHBondContact O-CB 3.32Å; V416-A419 PolarHBondContact O-N 3.02Å; V416-A419 VanDerWaalsContact O-N 3.13Å; V416-Y420 HydrophobicContact CG1-CD2 3.62Å; V416-Y420 HydrophobicContact CG1-CE2 3.53Å; V416-Y420 VanDerWaalsContact O-CD2 3.22Å; V416-Y420 WeakPolarHBondContact O-CD2 3.31Å; V416-Y420 PolarHBondContact O-N 3.18Å
417I59.2Low54.2Low30 Ų3067.8 Ų67.815%0.15438%0.382CS..Hα-helixtrans-55.7-49.6173.7-71161.2000110.5L413 A419 Y420 D421 V431 V435L413-I417 HydrophobicContact CG-CD1 3.89Å; L413-I417 WeakPolarHBondContact O-CB 2.8Å; L413-I417 WeakPolarHBondContact O-CD1 3.11Å; L413-I417 WeakPolarHBondContact O-CG1 3.06Å; L413-I417 PolarHBondContact O-N 3.36Å; I417-A419 VanDerWaalsContact C-N 3.28Å; I417-A419 PolarHBondContact O-N 2.93Å; I417-Y420 PolarHBondContact O-N 3.04Å; I417-D421 WeakPolarHBondContact O-CB 3.38Å; I417-D421 VanDerWaalsContact O-CG 3.25Å; I417-D421 PolarHBondContact O-N 2.92Å; I417-V431 HydrophobicContact CB-CG1 4.32Å; I417-V431 HydrophobicContact CG1-CG1 3.78Å; I417-V431 HydrophobicContact CG2-CG1 4.5Å; I417-V435 HydrophobicContact CB-CG2 4.47Å; I417-V435 HydrophobicContact CD1-CG2 3.55Å; I417-V435 HydrophobicContact CG1-CG2 3.78Å; I417-V435 HydrophobicContact CG2-CG2 3.81Å
418K58.4Low55.5Low67 Ų6758.5 Ų58.529%0.29134%0.339SS..Hα-helixtrans-61.9-32.1177.5-75.6173.2-178.9-179.30113.3V400 T403 S414 S415 V416V400-K418 HydrophobicContact CG1-CB 4.35Å; T403-K418 PolarHBondContact OG1-NZ 3.4Å; S414-K418 WeakPolarHBondContact O-CB 3.47Å; S414-K418 VanDerWaalsContact O-CG 3.26Å; S414-K418 WeakPolarHBondContact O-CG 3.3Å; S414-K418 PolarHBondContact O-N 2.91Å; S415-K418 PolarHBondContact O-N 3.19Å; V416-K418 PolarHBondContact O-N 3.37Å
419A55.6Low56.8Low5 Ų557.6 Ų57.64%0.04133%0.331CS..Hα-helixtrans-67.7-47.9175.200000110.4V400 S415 V416 I417 R422V400-A419 HydrophobicContact CG2-CB 3.96Å; S415-A419 PolarHBondContact O-N 2.96Å; V416-A419 WeakPolarHBondContact O-CB 3.32Å; V416-A419 PolarHBondContact O-N 3.02Å; V416-A419 VanDerWaalsContact O-N 3.13Å; I417-A419 VanDerWaalsContact C-N 3.28Å; I417-A419 PolarHBondContact O-N 2.93Å; A419-R422 PolarHBondContact O-N 3.43Å
420Y61.4Low58.1Low84 Ų8456.3 Ų56.333%0.32932%0.32SS..Hα-helixtrans-64.9-40177.7-83.9-65.3000112.4V416 I417 R422 S423 A427 A428 V431V416-Y420 HydrophobicContact CG1-CD2 3.62Å; V416-Y420 HydrophobicContact CG1-CE2 3.53Å; V416-Y420 VanDerWaalsContact O-CD2 3.22Å; V416-Y420 WeakPolarHBondContact O-CD2 3.31Å; V416-Y420 PolarHBondContact O-N 3.18Å; I417-Y420 PolarHBondContact O-N 3.04Å; Y420-R422 PolarHBondContact O-N 3.39Å; Y420-S423 PolarHBondContact O-N 3.44Å; Y420-S423 VanDerWaalsContact O-O 3.11Å; Y420-S423 PolarHBondContact O-OG 3.32Å; Y420-S423 VanDerWaalsContact O-OG 3.09Å; Y420-A427 HydrophobicContact CD1-CB 4.38Å; Y420-A427 HydrophobicContact CE1-CB 3.83Å; Y420-A428 HydrophobicContact CD1-CB 3.89Å; Y420-A428 HydrophobicContact CG-CB 4.36Å; Y420-A428 WeakPolarHBondContact O-CB 3.3Å; Y420-V431 HydrophobicContact CD2-CG1 4.45Å; Y420-V431 HydrophobicContact CD2-CG2 3.95Å; Y420-V431 HydrophobicContact CE2-CG2 4.35Å; Y420-V431 HydrophobicContact CG-CB 4.43Å; Y420-V431 HydrophobicContact CG-CG2 4.15Å
421D57.3Low59.4Low27 Ų2752.1 Ų52.114%0.14430%0.295CS..THydrogen-bonded Turntrans-54.3-21.8-180-80.7-24.9000113.9I417 R463I417-D421 WeakPolarHBondContact O-CB 3.38Å; I417-D421 VanDerWaalsContact O-CG 3.25Å; I417-D421 PolarHBondContact O-N 2.92Å; D421-R463 WeakPolarHBondContact O-CG 3.39Å
422R55.9Low60.2Low23 Ų2351.2 Ų51.29%0.08729%0.29CS..THydrogen-bonded Turntrans-84.9-24.6178.1-66.5171.3174.2135.43.8113.7S401 A419 Y420 N462S401-R422 PolarHBondContact OG-NH2 2.91Å; A419-R422 PolarHBondContact O-N 3.43Å; Y420-R422 PolarHBondContact O-N 3.39Å; R422-N462 HydrophobicContact CG-CB 4.33Å
423S58.6Low61.3Low15 Ų1548.9 Ų48.911%0.10528%0.281CS..  trans-95.8147.4-177.778.10000110.7Y420 T425 A428Y420-S423 PolarHBondContact O-N 3.44Å; Y420-S423 VanDerWaalsContact O-O 3.11Å; Y420-S423 PolarHBondContact O-OG 3.32Å; Y420-S423 VanDerWaalsContact O-OG 3.09Å; S423-T425 VanDerWaalsContact C-N 3.28Å; S423-T425 PolarHBondContact OG-OG1 3.29Å; S423-A428 WeakPolarHBondContact O-CB 3.43Å; S423-A428 WeakPolarHBondContact OG-CB 3.35Å
424N59.2Low62.2Low56 Ų5648.7 Ų48.730%0.29928%0.28SS..  trans-9215.9174-76.9-31000113.3Q429 I464 S511N424-Q429 PolarHBondContact O-NE2 3.17Å; N424-I464 PolarHBondContact ND2-O 3.2Å; N424-S511 PolarHBondContact O-OG 2.9Å; N424-S511 VanDerWaalsContact O-OG 3.08Å
425T62.8Low62.9Low21 Ų2147.4 Ų47.413%0.12927%0.27CS..SBendtrans-60.1151.3-179.8600000111.9S423 A427 A428 Q429 A509 S511S423-T425 VanDerWaalsContact C-N 3.28Å; S423-T425 PolarHBondContact OG-OG1 3.29Å; T425-A427 PolarHBondContact O-N 3.29Å; T425-A428 WeakPolarHBondContact O-CA 3.46Å; T425-A428 WeakPolarHBondContact O-CB 3.36Å; T425-A428 PolarHBondContact O-N 2.8Å; T425-A428 VanDerWaalsContact OG1-CB 3.3Å; T425-A428 WeakPolarHBondContact OG1-CB 3.3Å; T425-A428 PolarHBondContact OG1-N 2.92Å; T425-Q429 WeakPolarHBondContact O-CG 3.42Å; T425-Q429 PolarHBondContact O-N 2.96Å; T425-A509 HydrophobicContact CG2-CB 4.48Å; T425-A509 WeakPolarHBondContact CG2-O 3.16Å; T425-S511 PolarHBondContact N-OG 2.72Å
426P65.7Low63.5Low102 Ų10251.5 Ų51.566%0.66229%0.286SS*.Hα-helixtrans-54.4-35.1171.5-27.535.3000113Q429 A430P426-Q429 PolarHBondContact O-N 3.08Å; P426-A430 WeakPolarHBondContact O-CB 3.43Å; P426-A430 PolarHBondContact O-N 3.42Å
427A63.9Low64.1Low47 Ų4757.2 Ų57.239%0.38830%0.301SS..Hα-helixtrans-63.4-44.5173.800000111.8Y420 T425 A430 V431Y420-A427 HydrophobicContact CD1-CB 4.38Å; Y420-A427 HydrophobicContact CE1-CB 3.83Å; T425-A427 PolarHBondContact O-N 3.29Å; A427-A430 PolarHBondContact O-N 2.94Å; A427-V431 VanDerWaalsContact O-CG2 3.28Å; A427-V431 WeakPolarHBondContact O-CG2 3.45Å; A427-V431 PolarHBondContact O-N 2.89Å
428A65.8Low64.5Low0 Ų057.6 Ų57.60%031%0.306CS..Hα-helixtrans-64.5-40.1174.800000113.7Y420 S423 T425 A430 V431 A432Y420-A428 HydrophobicContact CD1-CB 3.89Å; Y420-A428 HydrophobicContact CG-CB 4.36Å; Y420-A428 WeakPolarHBondContact O-CB 3.3Å; S423-A428 WeakPolarHBondContact O-CB 3.43Å; S423-A428 WeakPolarHBondContact OG-CB 3.35Å; T425-A428 WeakPolarHBondContact O-CA 3.46Å; T425-A428 WeakPolarHBondContact O-CB 3.36Å; T425-A428 PolarHBondContact O-N 2.8Å; T425-A428 VanDerWaalsContact OG1-CB 3.3Å; T425-A428 WeakPolarHBondContact OG1-CB 3.3Å; T425-A428 PolarHBondContact OG1-N 2.92Å; A428-A430 VanDerWaalsContact C-N 3.32Å; A428-V431 PolarHBondContact O-N 3.3Å; A428-A432 VanDerWaalsContact O-CB 3.29Å; A428-A432 WeakPolarHBondContact O-CB 3.23Å; A428-A432 PolarHBondContact O-N 3.45Å
429Q66.3Low64.6Low92 Ų9257.7 Ų57.743%0.4331%0.307SS..Hα-helixtrans-63.6-40.6174.1-66.21794.500111N424 T425 P426 A432 N433N424-Q429 PolarHBondContact O-NE2 3.17Å; T425-Q429 WeakPolarHBondContact O-CG 3.42Å; T425-Q429 PolarHBondContact O-N 2.96Å; P426-Q429 PolarHBondContact O-N 3.08Å; Q429-A432 PolarHBondContact O-N 2.92Å; Q429-N433 VanDerWaalsContact O-CB 3.31Å; Q429-N433 WeakPolarHBondContact O-CB 3.47Å; Q429-N433 PolarHBondContact O-N 2.71Å; Q429-N433 PolarHBondContact O-ND2 3.4Å
430A69.7Low65.2Low57 Ų5762.6 Ų62.647%0.47133%0.331SS..Hα-helixtrans-65.3-44.9175.600000112.2P426 A427 A428 N433 L434P426-A430 WeakPolarHBondContact O-CB 3.43Å; P426-A430 PolarHBondContact O-N 3.42Å; A427-A430 PolarHBondContact O-N 2.94Å; A428-A430 VanDerWaalsContact C-N 3.32Å; A430-N433 PolarHBondContact O-N 3.42Å; A430-L434 WeakPolarHBondContact O-CB 3.35Å; A430-L434 PolarHBondContact O-N 3.38Å
431V68.8Low65.5Low35 Ų3563 Ų6321%0.21234%0.343CS..Hα-helixtrans-60.1-46.6175170.30000110.3I417 Y420 A427 A428 N433 L434 V435I417-V431 HydrophobicContact CB-CG1 4.32Å; I417-V431 HydrophobicContact CG1-CG1 3.78Å; I417-V431 HydrophobicContact CG2-CG1 4.5Å; Y420-V431 HydrophobicContact CD2-CG1 4.45Å; Y420-V431 HydrophobicContact CD2-CG2 3.95Å; Y420-V431 HydrophobicContact CE2-CG2 4.35Å; Y420-V431 HydrophobicContact CG-CB 4.43Å; Y420-V431 HydrophobicContact CG-CG2 4.15Å; A427-V431 VanDerWaalsContact O-CG2 3.28Å; A427-V431 WeakPolarHBondContact O-CG2 3.45Å; A427-V431 PolarHBondContact O-N 2.89Å; A428-V431 PolarHBondContact O-N 3.3Å; V431-N433 PolarHBondContact O-N 3.25Å; V431-L434 WeakPolarHBondContact O-CB 3.38Å; V431-L434 PolarHBondContact O-N 3.18Å; V431-L434 VanDerWaalsContact O-N 3.17Å; V431-V435 HydrophobicContact CG1-CG2 4.49Å; V431-V435 VanDerWaalsContact O-CG2 3.29Å; V431-V435 WeakPolarHBondContact O-CG2 3.42Å; V431-V435 PolarHBondContact O-N 3.03Å
432A65.7Low65.5Low16 Ų1667.8 Ų67.813%0.13236%0.364CS..Hα-helixtrans-65.1-39177.600000113.2A428 Q429 L434 V435 Q436A428-A432 VanDerWaalsContact O-CB 3.29Å; A428-A432 WeakPolarHBondContact O-CB 3.23Å; A428-A432 PolarHBondContact O-N 3.45Å; Q429-A432 PolarHBondContact O-N 2.92Å; A432-L434 VanDerWaalsContact C-N 3.31Å; A432-L434 PolarHBondContact O-N 3.32Å; A432-V435 PolarHBondContact O-N 2.85Å; A432-Q436 WeakPolarHBondContact O-CB 3.49Å; A432-Q436 PolarHBondContact O-N 3.29Å
433N71.7Confident65.3Low84 Ų8471.2 Ų71.245%0.44939%0.392SS..Hα-helixtrans-63-39.7172.8-76.1-21.1000111.2Q429 A430 V431 Q436 R437Q429-N433 VanDerWaalsContact O-CB 3.31Å; Q429-N433 WeakPolarHBondContact O-CB 3.47Å; Q429-N433 PolarHBondContact O-N 2.71Å; Q429-N433 PolarHBondContact O-ND2 3.4Å; A430-N433 PolarHBondContact O-N 3.42Å; V431-N433 PolarHBondContact O-N 3.25Å; N433-Q436 PolarHBondContact O-N 3.08Å; N433-R437 WeakPolarHBondContact O-CB 3.25Å; N433-R437 VanDerWaalsContact O-CG 3.23Å; N433-R437 WeakPolarHBondContact O-CG 3.43Å; N433-R437 PolarHBondContact O-N 3.04Å
434L72.6Confident64.9Low116 Ų11674.8 Ų74.861%0.60742%0.417SS*.Hα-helixtrans-63.2-44.9174.8-170.9157.8000110.6A430 V431 A432 R437 S438A430-L434 WeakPolarHBondContact O-CB 3.35Å; A430-L434 PolarHBondContact O-N 3.38Å; V431-L434 WeakPolarHBondContact O-CB 3.38Å; V431-L434 PolarHBondContact O-N 3.18Å; V431-L434 VanDerWaalsContact O-N 3.17Å; A432-L434 VanDerWaalsContact C-N 3.31Å; A432-L434 PolarHBondContact O-N 3.32Å; L434-R437 CarbonylContact O-C 3.51Å; L434-R437 PolarHBondContact O-N 3.4Å; L434-S438 PolarHBondContact O-N 3.13Å; L434-S438 PolarHBondContact O-OG 3.29Å
435V69.7Low64.3Low23 Ų2379 Ų7914%0.13944%0.439CS..Hα-helixtrans-63.8-40.6176.4172.40000111.7I417 V431 A432 R437 S438 K439I417-V435 HydrophobicContact CB-CG2 4.47Å; I417-V435 HydrophobicContact CD1-CG2 3.55Å; I417-V435 HydrophobicContact CG1-CG2 3.78Å; I417-V435 HydrophobicContact CG2-CG2 3.81Å; V431-V435 HydrophobicContact CG1-CG2 4.49Å; V431-V435 VanDerWaalsContact O-CG2 3.29Å; V431-V435 WeakPolarHBondContact O-CG2 3.42Å; V431-V435 PolarHBondContact O-N 3.03Å; A432-V435 PolarHBondContact O-N 2.85Å; V435-R437 VanDerWaalsContact C-N 3.33Å; V435-S438 WeakPolarHBondContact CA-OG 2.99Å; V435-S438 PolarHBondContact O-N 3.32Å; V435-S438 PolarHBondContact O-OG 3.49Å; V435-K439 HydrophobicContact CG1-CD 4.41Å; V435-K439 WeakPolarHBondContact O-CG 3.38Å; V435-K439 PolarHBondContact O-N 3.32Å
436Q69.4Low63.2Low119 Ų11987 Ų8756%0.55647%0.472SS*.Hα-helixtrans-62.9-42.9174.9-173.4179-7.700110.7A432 N433 K439 I440A432-Q436 WeakPolarHBondContact O-CB 3.49Å; A432-Q436 PolarHBondContact O-N 3.29Å; N433-Q436 PolarHBondContact O-N 3.08Å; Q436-K439 PolarHBondContact O-N 2.77Å; Q436-I440 HydrophobicContact CG-CD1 4.15Å; Q436-I440 WeakPolarHBondContact O-CD1 3.49Å; Q436-I440 VanDerWaalsContact O-CG1 3.25Å; Q436-I440 WeakPolarHBondContact O-CG1 3.44Å; Q436-I440 PolarHBondContact O-N 3.23Å
437R67.9Low61.9Low182 Ų18289.1 Ų89.169%0.68748%0.483SS*.Hα-helixtrans-66.3-43.4176.1-74.3173.1176.7-175.9-0.6112.5N433 L434 V435 K439 I440 T441N433-R437 WeakPolarHBondContact O-CB 3.25Å; N433-R437 VanDerWaalsContact O-CG 3.23Å; N433-R437 WeakPolarHBondContact O-CG 3.43Å; N433-R437 PolarHBondContact O-N 3.04Å; L434-R437 CarbonylContact O-C 3.51Å; L434-R437 PolarHBondContact O-N 3.4Å; V435-R437 VanDerWaalsContact C-N 3.33Å; R437-K439 VanDerWaalsContact C-N 3.27Å; R437-K439 PolarHBondContact O-N 2.88Å; R437-I440 PolarHBondContact O-N 3.28Å; R437-T441 WeakPolarHBondContact O-CG2 3.15Å; R437-T441 PolarHBondContact O-N 3.25Å; R437-T441 PolarHBondContact O-OG1 2.88Å
438S67.8Low60.6Low39 Ų3993.9 Ų93.927%0.27350%0.501SS..Hα-helixtrans-62-37.217870.50000110.9L434 V435 T441 E442L434-S438 PolarHBondContact O-N 3.13Å; L434-S438 PolarHBondContact O-OG 3.29Å; V435-S438 WeakPolarHBondContact CA-OG 2.99Å; V435-S438 PolarHBondContact O-N 3.32Å; V435-S438 PolarHBondContact O-OG 3.49Å; S438-T441 WeakPolarHBondContact CA-OG1 3.23Å; S438-T441 PolarHBondContact O-N 2.94Å; S438-T441 PolarHBondContact O-OG1 2.93Å; S438-E442 WeakPolarHBondContact O-CB 3.33Å; S438-E442 WeakPolarHBondContact O-CG 3.2Å; S438-E442 PolarHBondContact O-N 3.14Å
439K60.6Low59Low68 Ų6898.2 Ų98.230%0.29653%0.53SS..Hα-helixtrans-70.9-41.1175.5-72.1-175.5176.8-153.90113.9V435 Q436 R437 T441 E442 S443 V456V435-K439 HydrophobicContact CG1-CD 4.41Å; V435-K439 WeakPolarHBondContact O-CG 3.38Å; V435-K439 PolarHBondContact O-N 3.32Å; Q436-K439 PolarHBondContact O-N 2.77Å; R437-K439 VanDerWaalsContact C-N 3.27Å; R437-K439 PolarHBondContact O-N 2.88Å; K439-T441 PolarHBondContact O-N 3.35Å; K439-E442 PolarHBondContact O-N 2.98Å; K439-S443 WeakPolarHBondContact O-CB 3.39Å; K439-S443 PolarHBondContact O-N 2.99Å; K439-V456 HydrophobicContact CD-CG2 4.27Å
440I68.3Low57.7Low108 Ų10897.7 Ų97.755%0.55454%0.537SS*.Hα-helixtrans-59.1-40.1174-67.9163.1000109.6Q436 R437 S443Q436-I440 HydrophobicContact CG-CD1 4.15Å; Q436-I440 WeakPolarHBondContact O-CD1 3.49Å; Q436-I440 VanDerWaalsContact O-CG1 3.25Å; Q436-I440 WeakPolarHBondContact O-CG1 3.44Å; Q436-I440 PolarHBondContact O-N 3.23Å; R437-I440 PolarHBondContact O-N 3.28Å; I440-S443 PolarHBondContact O-OG 3.13Å
441T67.1Low56.3Low94 Ų94100.7 Ų100.758%0.57755%0.545SS*.Hα-helixtrans-75.6-38.918052.20000113.3R437 S438 K439 S443 S444R437-T441 WeakPolarHBondContact O-CG2 3.15Å; R437-T441 PolarHBondContact O-N 3.25Å; R437-T441 PolarHBondContact O-OG1 2.88Å; S438-T441 WeakPolarHBondContact CA-OG1 3.23Å; S438-T441 PolarHBondContact O-N 2.94Å; S438-T441 PolarHBondContact O-OG1 2.93Å; K439-T441 PolarHBondContact O-N 3.35Å; T441-S443 VanDerWaalsContact C-N 3.29Å; T441-S443 PolarHBondContact O-N 3.29Å; T441-S444 PolarHBondContact O-N 3.44Å; T441-S444 PolarHBondContact O-OG 3.46Å
442E57.8Low54.8Low127 Ų127104.8 Ų104.859%0.59356%0.562SS**Hα-helixtrans-67.1-27.9175.4-79.1178.9168.500113.1S438 K439 S444 N445S438-E442 WeakPolarHBondContact O-CB 3.33Å; S438-E442 WeakPolarHBondContact O-CG 3.2Å; S438-E442 PolarHBondContact O-N 3.14Å; K439-E442 PolarHBondContact O-N 2.98Å; E442-S444 PolarHBondContact O-N 3.38Å; E442-N445 PolarHBondContact O-N 3.13Å; E442-N445 VanDerWaalsContact O-N 3.08Å
443S52Low53.2Low95 Ų95109.6 Ų109.666%0.66458%0.584SS**THydrogen-bonded Turntrans-60.5-10.4177.975.30000114.6K439 I440 T441K439-S443 WeakPolarHBondContact O-CB 3.39Å; K439-S443 PolarHBondContact O-N 2.99Å; I440-S443 PolarHBondContact O-OG 3.13Å; T441-S443 VanDerWaalsContact C-N 3.29Å; T441-S443 PolarHBondContact O-N 3.29Å
444S51.2Low51.4Low90 Ų90109.2 Ų109.263%0.62959%0.585SS**THydrogen-bonded Turntrans-81.9-15.7175.167.30000115T441 E442T441-S444 PolarHBondContact O-N 3.44Å; T441-S444 PolarHBondContact O-OG 3.46Å; E442-S444 PolarHBondContact O-N 3.38Å
445N45.4Very low49.9Very low143 Ų143107.1 Ų107.177%0.76558%0.579SS**THydrogen-bonded Turntrans-134.41-166.5-96.2-18.3000118.8E442E442-N445 PolarHBondContact O-N 3.13Å; E442-N445 VanDerWaalsContact O-N 3.08Å
446K39.7Very low48.4Very low189 Ų189108.6 Ų108.682%0.82259%0.589SS**SBendtrans-142.4132174.3-75-174.4179.5169.90114.5I448K446-I448 PolarHBondContact O-N 2.91Å
447T38.5Very low46.7Very low147 Ų147106.9 Ų106.990%0.90259%0.586SS**PPolyproline II helixtrans-47.1128.3171.8-39.20000111.3C449T447-C449 PolarHBondContact O-N 2.73Å
448I35.8Very low45.3Very low147 Ų147102.1 Ų102.175%0.75458%0.577SS**PPolyproline II helixtrans-55.6119-172.2-61.9158.5000111.4K446K446-I448 PolarHBondContact O-N 2.91Å
449C33.6Very low43.8Very low91 Ų91100.8 Ų100.862%0.61557%0.57SS**PPolyproline II helixtrans-99.4119.3156-1670000107.4T447 D451T447-C449 PolarHBondContact O-N 2.73Å; C449-D451 PolarHBondContact O-N 2.86Å; C449-D451 VanDerWaalsContact O-N 3.1Å
450S38.7Very low42.7Very low82 Ų82103.2 Ų103.257%0.57359%0.585SS**THydrogen-bonded Turntrans-63.8-13.6-171.545.20000115.1E452 T454S450-E452 PolarHBondContact O-N 3.04Å; S450-T454 PolarHBondContact O-OG1 2.88Å
451D39.7Very low41.4Very low119 Ų119102.7 Ų102.764%0.63659%0.591SS**Hα-helixtrans-76.1-24-171-72.7-4.8000113.6C449 T454C449-D451 PolarHBondContact O-N 2.86Å; C449-D451 VanDerWaalsContact O-N 3.1Å; D451-T454 PolarHBondContact O-OG1 2.82Å
452E37.7Very low40.5Very low122 Ų122101.7 Ų101.757%0.5758%0.582SS**Hα-helixtrans-80.8-22.4-178.7-68.3-163.5171.900114.6S450 T454 S455S450-E452 PolarHBondContact O-N 3.04Å; E452-T454 VanDerWaalsContact C-N 3.26Å; E452-T454 PolarHBondContact O-N 3.14Å; E452-S455 PolarHBondContact O-N 2.76Å; E452-S455 PolarHBondContact O-OG 3.1Å; E452-S455 VanDerWaalsContact O-OG 3.11Å
453I33.1Very low40.4Very low116 Ų11699.2 Ų99.260%0.59557%0.567SS**Hα-helixtrans-66.2-39.1174.8-58.5178.6000108.9S455 V456 T457I453-S455 VanDerWaalsContact C-N 3.27Å; I453-S455 PolarHBondContact O-N 3.24Å; I453-V456 PolarHBondContact O-N 3.49Å; I453-T457 PolarHBondContact O-N 3.14Å; I453-T457 PolarHBondContact O-OG1 2.68Å
454T32.6Very low41Very low77 Ų7795.7 Ų95.747%0.47254%0.541SS..Hα-helixtrans-60.2-33.7175.6-20000112.9S450 D451 E452 V456 T457 V458S450-T454 PolarHBondContact O-OG1 2.88Å; D451-T454 PolarHBondContact O-OG1 2.82Å; E452-T454 VanDerWaalsContact C-N 3.26Å; E452-T454 PolarHBondContact O-N 3.14Å; T454-V456 PolarHBondContact O-N 3.37Å; T454-T457 WeakPolarHBondContact CA-OG1 3.27Å; T454-T457 PolarHBondContact O-OG1 2.91Å; T454-V458 WeakPolarHBondContact O-CB 3.29Å; T454-V458 WeakPolarHBondContact O-CG2 3.31Å; T454-V458 PolarHBondContact O-N 3.02Å
455S41.6Very low41.8Very low71 Ų7192.9 Ų92.950%0.49753%0.526SS..Hα-helixtrans-70.8-29.1-177.187.20000113E452 I453 G459E452-S455 PolarHBondContact O-N 2.76Å; E452-S455 PolarHBondContact O-OG 3.1Å; E452-S455 VanDerWaalsContact O-OG 3.11Å; I453-S455 VanDerWaalsContact C-N 3.27Å; I453-S455 PolarHBondContact O-N 3.24Å; S455-G459 PolarHBondContact O-N 3.41Å
456V37.9Very low42.9Very low55 Ų5588.8 Ų88.833%0.33351%0.512SS..Hα-helixtrans-87.6-34.4176.4-1800000112.1K439 I453 T454 V458 G459 I460K439-V456 HydrophobicContact CD-CG2 4.27Å; I453-V456 PolarHBondContact O-N 3.49Å; T454-V456 PolarHBondContact O-N 3.37Å; V456-V458 PolarHBondContact O-N 3.05Å; V456-G459 CarbonylContact O-C 3.55Å; V456-G459 WeakPolarHBondContact O-CA 3.15Å; V456-G459 PolarHBondContact O-N 3.42Å; V456-I460 HydrophobicContact CG1-CD1 4.19Å; V456-I460 HydrophobicContact CG1-CG1 4.16Å; V456-I460 PolarHBondContact O-N 3.46Å
457T33.5Very low44.6Very low82 Ų8286.9 Ų86.950%0.50351%0.506SS..Hα-helixtrans-60.4-34.6169.950.40000110.5I453 T454 S461I453-T457 PolarHBondContact O-N 3.14Å; I453-T457 PolarHBondContact O-OG1 2.68Å; T454-T457 WeakPolarHBondContact CA-OG1 3.27Å; T454-T457 PolarHBondContact O-OG1 2.91Å; T457-S461 PolarHBondContact O-OG 3.1Å
458V38.6Very low46.6Very low82 Ų8285 Ų8550%0.49749%0.487SS..Hα-helixtrans-71.6-34.2168.7175.30000112.1T454 V456 S461 N462T454-V458 WeakPolarHBondContact O-CB 3.29Å; T454-V458 WeakPolarHBondContact O-CG2 3.31Å; T454-V458 PolarHBondContact O-N 3.02Å; V456-V458 PolarHBondContact O-N 3.05Å; V458-S461 WeakPolarHBondContact O-CB 3.25Å; V458-S461 PolarHBondContact O-N 3.33Å; V458-N462 PolarHBondContact O-N 3.31Å
459G36.2Very low48.9Very low12 Ų1278.9 Ų78.912%0.12446%0.455CS..Hα-helixtrans-67.8-43.5179.600000114.7S455 V456 S461 N462S455-G459 PolarHBondContact O-N 3.41Å; V456-G459 CarbonylContact O-C 3.55Å; V456-G459 WeakPolarHBondContact O-CA 3.15Å; V456-G459 PolarHBondContact O-N 3.42Å; G459-S461 PolarHBondContact O-N 2.93Å; G459-N462 PolarHBondContact O-N 2.94Å; G459-N462 VanDerWaalsContact O-N 3.15Å
460I38.3Very low51.4Low118 Ų11876 Ų7661%0.60543%0.432SS*.Hα-helixtrans-62.9-34.9173.2-62.2171.5000110V456 N462 R463V456-I460 HydrophobicContact CG1-CD1 4.19Å; V456-I460 HydrophobicContact CG1-CG1 4.16Å; V456-I460 PolarHBondContact O-N 3.46Å; I460-N462 PolarHBondContact O-N 3.43Å; I460-R463 PolarHBondContact O-N 3.43Å
461S40.9Very low53.7Low98 Ų9874.7 Ų74.769%0.68542%0.417SS*.THydrogen-bonded Turntrans-69-12.1176.6-77.30000114.9T457 V458 G459T457-S461 PolarHBondContact O-OG 3.1Å; V458-S461 WeakPolarHBondContact O-CB 3.25Å; V458-S461 PolarHBondContact O-N 3.33Å; G459-S461 PolarHBondContact O-N 2.93Å
462N47.8Very low56Low72 Ų7269.1 Ų69.139%0.38539%0.388SS..THydrogen-bonded Turntrans-96.3-4179-78.1-18.9000114.2R422 V458 G459 I460 I464R422-N462 HydrophobicContact CG-CB 4.33Å; V458-N462 PolarHBondContact O-N 3.31Å; G459-N462 PolarHBondContact O-N 2.94Å; G459-N462 VanDerWaalsContact O-N 3.15Å; I460-N462 PolarHBondContact O-N 3.43Å; N462-I464 PolarHBondContact O-N 3.37Å
463R55.5Low58.5Low76 Ų7663.4 Ų63.429%0.28736%0.361SS..SBendtrans-69.1121.8172.2-81.1-178.6-168.7-123.6-1.9109.4D421 I460 G465D421-R463 WeakPolarHBondContact O-CG 3.39Å; I460-R463 PolarHBondContact O-N 3.43Å; R463-G465 PolarHBondContact O-N 3.39Å
464I65.6Low61.3Low21 Ų2159 Ų5911%0.10834%0.339CS..PPolyproline II helixtrans-73119.9175.5-58.2171.8000107.6N424 N462 E468 M469 I472N424-I464 PolarHBondContact ND2-O 3.2Å; N462-I464 PolarHBondContact O-N 3.37Å; I464-E468 HydrophobicContact CG2-CB 3.88Å; I464-M469 HydrophobicContact CD1-SD 4.44Å; I464-M469 HydrophobicContact CG2-CB 3.83Å; I464-M469 HydrophobicContact CG2-SD 4.04Å; I464-I472 HydrophobicContact CD1-CD1 4.08Å; I464-I472 HydrophobicContact CG1-CD1 4.39Å; I464-I472 HydrophobicContact CG2-CD1 3.58Å
465G66.5Low64.1Low30 Ų3055.9 Ų55.931%0.30932%0.32SS..PPolyproline II helixtrans-64.2155.5173.200000111.4R463 H467 E468 M469R463-G465 PolarHBondContact O-N 3.39Å; G465-H467 VanDerWaalsContact C-N 3.33Å; G465-H467 PolarHBondContact O-N 3Å; G465-E468 PolarHBondContact N-OE2 3.35Å; G465-E468 WeakPolarHBondContact O-CB 3.26Å; G465-E468 PolarHBondContact O-N 3.39Å; G465-M469 PolarHBondContact O-N 2.86Å
466A69.5Low66.6Low58 Ų5852.7 Ų52.748%0.47930%0.297SS..Hα-helixtrans-55-46.9179.900000112.7E468 M469 E470A466-E468 VanDerWaalsContact C-N 3.32Å; A466-E468 PolarHBondContact O-N 3.17Å; A466-M469 WeakPolarHBondContact O-CB 3.06Å; A466-M469 PolarHBondContact O-N 3.27Å; A466-E470 PolarHBondContact O-N 2.82Å
467H74.7Confident69.3Low149 Ų14950.6 Ų50.669%0.6928%0.284SS*.Hα-helixtrans-67.9-30.2177.7-169-59.3000112.9G465 H471G465-H467 VanDerWaalsContact C-N 3.33Å; G465-H467 PolarHBondContact O-N 3Å; H467-H471 PolarHBondContact O-N 2.95Å
468E80Confident72.1Confident107 Ų10748.5 Ų48.550%0.527%0.272SS..Hα-helixtrans-70.2-39.4173.8-64.2178.7149.300110.3I464 G465 A466 E470 H471 I472I464-E468 HydrophobicContact CG2-CB 3.88Å; G465-E468 PolarHBondContact N-OE2 3.35Å; G465-E468 WeakPolarHBondContact O-CB 3.26Å; G465-E468 PolarHBondContact O-N 3.39Å; A466-E468 VanDerWaalsContact C-N 3.32Å; A466-E468 PolarHBondContact O-N 3.17Å; E468-E470 VanDerWaalsContact C-N 3.34Å; E468-E470 PolarHBondContact O-N 3.36Å; E468-H471 PolarHBondContact O-N 2.74Å; E468-H471 VanDerWaalsContact O-N 3.16Å; E468-I472 WeakPolarHBondContact O-CB 3.12Å; E468-I472 WeakPolarHBondContact O-CD1 3.27Å; E468-I472 WeakPolarHBondContact O-CG1 3.19Å; E468-I472 PolarHBondContact O-N 3.44Å
469M84.4Confident74.8Confident19 Ų1944.6 Ų44.69%0.09425%0.249CC..Hα-helixtrans-62.1-41.6176.6-166.659.2-17200111.8I395 I464 G465 A466 H471 I472 S473 V510 C515I395-M469 HydrophobicContact CD1-CE 4.44Å; I395-M469 HydrophobicContact CG2-CE 3.59Å; I464-M469 HydrophobicContact CD1-SD 4.44Å; I464-M469 HydrophobicContact CG2-CB 3.83Å; I464-M469 HydrophobicContact CG2-SD 4.04Å; G465-M469 PolarHBondContact O-N 2.86Å; A466-M469 WeakPolarHBondContact O-CB 3.06Å; A466-M469 PolarHBondContact O-N 3.27Å; M469-H471 VanDerWaalsContact C-N 3.28Å; M469-H471 PolarHBondContact O-N 3.27Å; M469-I472 PolarHBondContact O-N 3.21Å; M469-I472 HydrophobicContact SD-CB 4.49Å; M469-I472 HydrophobicContact SD-CG2 4.37Å; M469-S473 PolarHBondContact O-N 3.03Å; M469-S473 PolarHBondContact O-OG 3.27Å; M469-V510 HydrophobicContact CE-CB 4.3Å; M469-V510 HydrophobicContact CE-CG1 3.97Å; M469-V510 HydrophobicContact CE-CG2 3.36Å; M469-V510 HydrophobicContact CG-CG1 3.93Å; M469-C515 HydrophobicContact CG-CB 4.44Å
470E86.2Confident77.5Confident29 Ų2944.1 Ų44.114%0.13624%0.243CC..Hα-helixtrans-57.5-37.8173.7-77.8-175-139.100113A466 E468 S473 D474 Y514 R628 K632A466-E470 PolarHBondContact O-N 2.82Å; E468-E470 VanDerWaalsContact C-N 3.34Å; E468-E470 PolarHBondContact O-N 3.36Å; E470-S473 PolarHBondContact O-OG 3.47Å; E470-D474 PolarHBondContact O-N 3.5Å; E470-Y514 HydrophobicContact CG-CD1 3.9Å; E470-Y514 HydrophobicContact CG-CE1 4.15Å; E470-R628 PolarHBondContact O-NH2 3.43Å; E470-R628 VanDerWaalsContact O-NH2 3.16Å; E470-R628 IonicContact OE2-CZ 3.46Å; E470-R628 IonicContact OE2-NH1 3.84Å; E470-R628 PolarHBondContact OE2-NH1 2.9Å; E470-K632 IonicContact OE2-NZ 2.69Å; E470-K632 PolarHBondContact OE2-NZ 3.49Å
471H86.8Confident80.1Confident56 Ų5640.9 Ų40.926%0.25923%0.227SC..Hα-helixtrans-77.7-36.5177.6-177.968.3000111.8K322 H359 H467 E468 M469 T475K322-H471 PolarHBondContact NZ-CE1 3.35Å; K322-H471 VanDerWaalsContact NZ-CE1 3.26Å; H359-H471 AromaticContact CE1-NE2 3.82Å; H359-H471 AromaticContact NE2-CD2 3.6Å; H359-H471 AromaticContact NE2-NE2 3.1Å; H359-H471 PolarHBondContact NE2-NE2 2.89Å; H467-H471 PolarHBondContact O-N 2.95Å; E468-H471 PolarHBondContact O-N 2.74Å; E468-H471 VanDerWaalsContact O-N 3.16Å; M469-H471 VanDerWaalsContact C-N 3.28Å; M469-H471 PolarHBondContact O-N 3.27Å; H471-T475 WeakPolarHBondContact O-CB 3.24Å; H471-T475 PolarHBondContact O-N 3.43Å; H471-T475 PolarHBondContact O-OG1 3.34Å
472I89.3Confident82.5Confident2 Ų236.6 Ų36.61%0.0120%0.196CC..Hα-helixtrans-63.9-45.2175.5-71.1165.4000110.1V355 L358 I395 I464 E468 M469 D474 T475 L476V355-I472 HydrophobicContact CG2-CD1 3.84Å; V355-I472 HydrophobicContact CG2-CG1 4.28Å; L358-I472 HydrophobicContact CD2-CB 4.25Å; L358-I472 HydrophobicContact CD2-CG1 4.47Å; L358-I472 HydrophobicContact CD2-CG2 3.77Å; L358-I472 WeakPolarHBondContact CD2-O 3.05Å; I395-I472 HydrophobicContact CD1-CG2 3.92Å; I464-I472 HydrophobicContact CD1-CD1 4.08Å; I464-I472 HydrophobicContact CG1-CD1 4.39Å; I464-I472 HydrophobicContact CG2-CD1 3.58Å; E468-I472 WeakPolarHBondContact O-CB 3.12Å; E468-I472 WeakPolarHBondContact O-CD1 3.27Å; E468-I472 WeakPolarHBondContact O-CG1 3.19Å; E468-I472 PolarHBondContact O-N 3.44Å; M469-I472 PolarHBondContact O-N 3.21Å; M469-I472 HydrophobicContact SD-CB 4.49Å; M469-I472 HydrophobicContact SD-CG2 4.37Å; I472-D474 PolarHBondContact O-N 3.46Å; I472-T475 PolarHBondContact O-N 2.95Å; I472-L476 WeakPolarHBondContact O-CB 3.47Å; I472-L476 PolarHBondContact O-N 3.37Å
473S90.1Very high84.5Confident2 Ų233.5 Ų33.51%0.01418%0.18CC..Hα-helixtrans-60.1-44.8178.858.30000111.7M469 E470 L476 I477M469-S473 PolarHBondContact O-N 3.03Å; M469-S473 PolarHBondContact O-OG 3.27Å; E470-S473 PolarHBondContact O-OG 3.47Å; S473-L476 PolarHBondContact O-N 2.85Å; S473-I477 WeakPolarHBondContact O-CB 3.29Å; S473-I477 VanDerWaalsContact O-CG1 3.25Å; S473-I477 WeakPolarHBondContact O-CG1 3.38Å; S473-I477 PolarHBondContact O-N 3.13Å
474D91.3Very high86.2Confident23 Ų2329.9 Ų29.912%0.12317%0.166CC..Hα-helixtrans-64.1-45.5178.4-80.716.8000112.2E470 I472 L476 I477 S478 Y514 R628E470-D474 PolarHBondContact O-N 3.5Å; I472-D474 PolarHBondContact O-N 3.46Å; D474-L476 VanDerWaalsContact C-N 3.29Å; D474-L476 PolarHBondContact O-N 2.89Å; D474-I477 PolarHBondContact O-N 3.49Å; D474-S478 WeakPolarHBondContact O-CB 3.47Å; D474-S478 PolarHBondContact O-N 3.01Å; D474-Y514 PolarHBondContact OD1-OH 2.98Å; D474-R628 IonicContact OD1-NH2 3.79Å; D474-R628 PolarHBondContact OD1-NH2 3.28Å; D474-R628 IonicContact OD2-CZ 2.72Å; D474-R628 IonicContact OD2-NE 2.81Å; D474-R628 IonicContact OD2-NH2 2.64Å; D474-R628 PolarHBondContact OD2-NH2 2.97Å
475T92.1Very high87.4Confident12 Ų1230.4 Ų30.47%0.07417%0.17CC..Hα-helixtrans-63.8-39.7178.3-52.50000110.4L358 H362 H471 I472 S478 C479L358-T475 HydrophobicContact CD1-CG2 4.28Å; L358-T475 HydrophobicContact CD2-CG2 4.02Å; L358-T475 HydrophobicContact CG-CG2 3.72Å; H362-T475 HydrophobicContact CB-CG2 3.85Å; H471-T475 WeakPolarHBondContact O-CB 3.24Å; H471-T475 PolarHBondContact O-N 3.43Å; H471-T475 PolarHBondContact O-OG1 3.34Å; I472-T475 PolarHBondContact O-N 2.95Å; T475-S478 WeakPolarHBondContact O-CB 3.35Å; T475-S478 PolarHBondContact O-N 3.18Å; T475-C479 PolarHBondContact O-N 3.14Å; T475-C479 PolarHBondContact O-SG 3.28Å
476L94Very high88.4Confident3 Ų337.1 Ų37.12%0.01619%0.186CC..Hα-helixtrans-65.5-46.3177.6-168.5156.1000111.3L358 L392 I395 I472 S473 D474 S478 C479 L480 L519L358-L476 HydrophobicContact CD1-CB 4.41Å; L358-L476 HydrophobicContact CD2-CB 4.42Å; L392-L476 HydrophobicContact CD1-CD1 3.8Å; L392-L476 HydrophobicContact CD1-CD2 4.15Å; I395-L476 HydrophobicContact CD1-CD1 3.66Å; I472-L476 WeakPolarHBondContact O-CB 3.47Å; I472-L476 PolarHBondContact O-N 3.37Å; S473-L476 PolarHBondContact O-N 2.85Å; D474-L476 VanDerWaalsContact C-N 3.29Å; D474-L476 PolarHBondContact O-N 2.89Å; L476-S478 VanDerWaalsContact C-N 3.3Å; L476-S478 PolarHBondContact O-N 3.27Å; L476-C479 WeakPolarHBondContact O-CB 3.47Å; L476-C479 PolarHBondContact O-N 2.9Å; L476-C479 VanDerWaalsContact O-N 3.14Å; L476-L480 HydrophobicContact CD2-CD1 3.46Å; L476-L480 VanDerWaalsContact CD2-CD1 3.46Å; L476-L480 HydrophobicContact CD2-CG 3.92Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 3.38Å; L476-L519 HydrophobicContact CD2-CD2 4.28Å
477I94.2Very high89.2Confident12 Ų1236.6 Ų36.66%0.06217%0.172CC..Hα-helixtrans-61.1-41.5175.7-70.7166.2000110.7S473 D474 C479 L480 N481 S518 K522S473-I477 WeakPolarHBondContact O-CB 3.29Å; S473-I477 VanDerWaalsContact O-CG1 3.25Å; S473-I477 WeakPolarHBondContact O-CG1 3.38Å; S473-I477 PolarHBondContact O-N 3.13Å; D474-I477 PolarHBondContact O-N 3.49Å; I477-C479 PolarHBondContact O-N 2.71Å; I477-L480 PolarHBondContact O-N 3.43Å; I477-N481 WeakPolarHBondContact O-CB 3.47Å; I477-N481 VanDerWaalsContact O-CG 3.29Å; I477-N481 PolarHBondContact O-N 3.47Å; I477-N481 PolarHBondContact O-ND2 3.18Å; I477-S518 WeakPolarHBondContact CD1-OG 3.49Å; I477-K522 HydrophobicContact CG1-CB 4.2Å; I477-K522 HydrophobicContact CG1-CG 4.22Å; I477-K522 HydrophobicContact CG2-CD 4.19Å; I477-K522 HydrophobicContact CG2-CG 4.43Å
478S92.6Very high89.8Confident38 Ų3834 Ų3427%0.26616%0.159SC..Hα-helixtrans-58.9-45.3173.3-165.60000111.5H362 D474 T475 L476 N481 I482H362-S478 PolarHBondContact NE2-OG 3.48Å; H362-S478 VanDerWaalsContact NE2-OG 3.1Å; D474-S478 WeakPolarHBondContact O-CB 3.47Å; D474-S478 PolarHBondContact O-N 3.01Å; T475-S478 WeakPolarHBondContact O-CB 3.35Å; T475-S478 PolarHBondContact O-N 3.18Å; L476-S478 VanDerWaalsContact C-N 3.3Å; L476-S478 PolarHBondContact O-N 3.27Å; S478-N481 WeakPolarHBondContact O-CB 3.25Å; S478-N481 PolarHBondContact O-N 3.11Å; S478-I482 WeakPolarHBondContact O-CG1 3.38Å; S478-I482 PolarHBondContact O-N 3.43Å; S478-I482 VanDerWaalsContact O-N 3.09Å
479C94.2Very high90Very high0 Ų037 Ų370%017%0.172CC..Hα-helixtrans-60.5-47175.1-66.90000112.1H362 L365 L388 T475 L476 I477 N481 I482 L483H362-C479 VanDerWaalsContact CA-SG 3.56Å; H362-C479 VanDerWaalsContact CB-SG 3.56Å; L365-C479 HydrophobicContact CD1-CB 3.98Å; L388-C479 HydrophobicContact CD1-CB 3.85Å; L388-C479 HydrophobicContact CD2-CB 3.78Å; L388-C479 HydrophobicContact CG-CB 4.5Å; T475-C479 PolarHBondContact O-N 3.14Å; T475-C479 PolarHBondContact O-SG 3.28Å; L476-C479 WeakPolarHBondContact O-CB 3.47Å; L476-C479 PolarHBondContact O-N 2.9Å; L476-C479 VanDerWaalsContact O-N 3.14Å; I477-C479 PolarHBondContact O-N 2.71Å; C479-N481 VanDerWaalsContact C-N 3.31Å; C479-N481 PolarHBondContact O-N 2.67Å; C479-I482 PolarHBondContact O-N 3.4Å; C479-L483 VanDerWaalsContact O-CB 3.32Å; C479-L483 WeakPolarHBondContact O-CB 3.46Å; C479-L483 PolarHBondContact O-N 2.95Å
480L94.2Very high90Very high1 Ų142.8 Ų42.81%0.00520%0.199CC..Hα-helixtrans-64.8-34.5178.3-68.5176.4000112.5L388 L476 I477 I482 L484 V485 F499 L503 K522L388-L480 HydrophobicContact CD2-CD2 3.99Å; L476-L480 HydrophobicContact CD2-CD1 3.46Å; L476-L480 VanDerWaalsContact CD2-CD1 3.46Å; L476-L480 HydrophobicContact CD2-CG 3.92Å; L476-L480 WeakPolarHBondContact O-CG 3.45Å; L476-L480 PolarHBondContact O-N 3.38Å; I477-L480 PolarHBondContact O-N 3.43Å; L480-I482 VanDerWaalsContact C-N 3.35Å; L480-L484 HydrophobicContact CD2-CD1 3.86Å; L480-L484 HydrophobicContact CD2-CG 4.5Å; L480-L484 WeakPolarHBondContact O-CB 3.33Å; L480-L484 PolarHBondContact O-N 3.03Å; L480-V485 PolarHBondContact O-N 3.3Å; L480-F499 HydrophobicContact CD2-CD1 3.67Å; L480-F499 HydrophobicContact CD2-CE1 4.05Å; L480-F499 HydrophobicContact CD2-CG 4.33Å; L480-L503 HydrophobicContact CD1-CD1 3.54Å; L480-K522 HydrophobicContact CD1-CG 4.12Å
481N92.4Very high90.1Very high51 Ų5142.4 Ų42.427%0.27320%0.199SC..Iπ-helixtrans-62.6-43173.4-78.8-25000111.3I477 S478 C479 V485 R486 K522I477-N481 WeakPolarHBondContact O-CB 3.47Å; I477-N481 VanDerWaalsContact O-CG 3.29Å; I477-N481 PolarHBondContact O-N 3.47Å; I477-N481 PolarHBondContact O-ND2 3.18Å; S478-N481 WeakPolarHBondContact O-CB 3.25Å; S478-N481 PolarHBondContact O-N 3.11Å; C479-N481 VanDerWaalsContact C-N 3.31Å; C479-N481 PolarHBondContact O-N 2.67Å; N481-V485 WeakPolarHBondContact O-CB 2.82Å; N481-V485 PolarHBondContact O-N 3.27Å; N481-R486 PolarHBondContact O-N 3.26Å; N481-K522 WeakPolarHBondContact OD1-CE 3.36Å; N481-K522 PolarHBondContact OD1-NZ 2.85Å
482I90.4Very high90.3Very high7 Ų741.9 Ų41.94%0.03620%0.202CC..Iπ-helixtrans-70-44.7178.4-62.2164000111.2L365 S478 C479 L480L365-I482 HydrophobicContact CB-CB 4.36Å; L365-I482 HydrophobicContact CB-CD1 4.37Å; L365-I482 HydrophobicContact CB-CG2 3.86Å; S478-I482 WeakPolarHBondContact O-CG1 3.38Å; S478-I482 PolarHBondContact O-N 3.43Å; S478-I482 VanDerWaalsContact O-N 3.09Å; C479-I482 PolarHBondContact O-N 3.4Å; L480-I482 VanDerWaalsContact C-N 3.35Å
483L90.6Very high90.4Very high7 Ų743.5 Ų43.54%0.03721%0.212CC..Iπ-helixtrans-76.6-48.9-173-165.7166.6000112.5L365 C385 L388 C479 V491 F499L365-L483 HydrophobicContact CD1-CB 4.3Å; L365-L483 HydrophobicContact CD1-CD1 4.37Å; C385-L483 HydrophobicContact CB-CD1 4.06Å; C385-L483 WeakPolarHBondContact SG-CD1 3.16Å; L388-L483 HydrophobicContact CD2-CD1 3.76Å; C479-L483 VanDerWaalsContact O-CB 3.32Å; C479-L483 WeakPolarHBondContact O-CB 3.46Å; C479-L483 PolarHBondContact O-N 2.95Å; L483-V491 VanDerWaalsContact O-CG2 3.32Å; L483-V491 WeakPolarHBondContact O-CG2 3.49Å; L483-F499 HydrophobicContact CD1-CZ 4.27Å; L483-F499 HydrophobicContact CD2-CE2 4.38Å
484L91.2Very high90.5Very high0 Ų047.1 Ų47.10%023%0.231CC..Iπ-helixtrans-98.3-47.9-172-58.6176.8000112.6L480 K488 V491 I496 F499 L526 F530L480-L484 HydrophobicContact CD2-CD1 3.86Å; L480-L484 HydrophobicContact CD2-CG 4.5Å; L480-L484 WeakPolarHBondContact O-CB 3.33Å; L480-L484 PolarHBondContact O-N 3.03Å; L484-K488 VanDerWaalsContact O-CA 3.29Å; L484-K488 WeakPolarHBondContact O-CA 3.42Å; L484-K488 PolarHBondContact O-N 2.91Å; L484-V491 HydrophobicContact CD2-CG1 3.78Å; L484-V491 HydrophobicContact CD2-CG2 4.4Å; L484-I496 HydrophobicContact CD2-CG1 4.34Å; L484-F499 HydrophobicContact CD1-CB 3.87Å; L484-F499 HydrophobicContact CD1-CD2 4.4Å; L484-F499 HydrophobicContact CD1-CG 4.12Å; L484-F499 HydrophobicContact CD2-CD2 4.17Å; L484-L526 HydrophobicContact CB-CD2 3.96Å; L484-L526 HydrophobicContact CD1-CD1 3.82Å; L484-L526 HydrophobicContact CD1-CD2 3.85Å; L484-F530 HydrophobicContact CB-CE2 4.49Å; L484-F530 WeakPolarHBondContact O-CZ 3.42Å
485V90.7Very high90.6Very high32 Ų3247.8 Ų47.819%0.19423%0.232CC..Iπ-helixtrans-77.6-50.8-170.5178.30000111.9L480 N481 R487 K488 L526 L529L480-V485 PolarHBondContact O-N 3.3Å; N481-V485 WeakPolarHBondContact O-CB 2.82Å; N481-V485 PolarHBondContact O-N 3.27Å; V485-R487 VanDerWaalsContact C-N 3.28Å; V485-R487 PolarHBondContact O-N 3.42Å; V485-K488 WeakPolarHBondContact O-CB 3.48Å; V485-K488 PolarHBondContact O-N 3.38Å; V485-L526 HydrophobicContact CG2-CD2 4.22Å; V485-L529 HydrophobicContact CB-CD2 4.13Å; V485-L529 HydrophobicContact CG1-CD2 3.9Å; V485-L529 HydrophobicContact CG2-CD2 3.93Å
486R88.4Confident90.7Very high172 Ų17247.6 Ų47.665%0.64923%0.23SC*.THydrogen-bonded Turntrans-65.7-32.4-179.7-73.9-174173.9161.52.4112.5N481N481-R486 PolarHBondContact O-N 3.26Å
487R85.8Confident90.6Very high46 Ų4647.5 Ų47.517%0.17423%0.229CC..THydrogen-bonded Turntrans-104.330.4-179.9-58.6-176.5-175.7-168.61113.3V485 H489 E490 V491V485-R487 VanDerWaalsContact C-N 3.28Å; V485-R487 PolarHBondContact O-N 3.42Å; R487-H489 PolarHBondContact O-N 3.19Å; R487-E490 HydrophobicContact CB-CB 4.32Å; R487-E490 WeakPolarHBondContact CD-OE2 3.48Å; R487-E490 PolarHBondContact O-N 2.81Å; R487-V491 HydrophobicContact CB-CG2 4.29Å; R487-V491 PolarHBondContact O-N 3.18Å
488K86.1Confident90.6Very high95 Ų9547 Ų4741%0.41323%0.227SC..THydrogen-bonded Turntrans-51.9-24.2-172.466.6-178.7-175.2178.30115.9L484 V485 L529 F530L484-K488 VanDerWaalsContact O-CA 3.29Å; L484-K488 WeakPolarHBondContact O-CA 3.42Å; L484-K488 PolarHBondContact O-N 2.91Å; V485-K488 WeakPolarHBondContact O-CB 3.48Å; V485-K488 PolarHBondContact O-N 3.38Å; K488-L529 HydrophobicContact CB-CD2 4.46Å; K488-L529 HydrophobicContact CD-CD1 4.05Å; K488-F530 HydrophobicContact CB-CE1 3.73Å; K488-F530 HydrophobicContact CB-CZ 3.69Å
489H85.7Confident90.7Very high169 Ų16945.1 Ų45.178%0.78221%0.214SC*.THydrogen-bonded Turntrans-91.7-13.9179-65-64.9000114.3R487R487-H489 PolarHBondContact O-N 3.19Å
490E84.1Confident90.8Very high141 Ų14145.1 Ų45.166%0.65921%0.214SC*.THydrogen-bonded Turntrans-99.6-17.5-176.5-61.4169.6-170.200112.2R487R487-E490 HydrophobicContact CB-CB 4.32Å; R487-E490 WeakPolarHBondContact CD-OE2 3.48Å; R487-E490 PolarHBondContact O-N 2.81Å
491V88.1Confident90.7Very high22 Ų2245.9 Ų45.913%0.13322%0.217CC..SBendtrans-88.9130.8-175.6-174.80000110.9L483 L484 R487 R495 I496L483-V491 VanDerWaalsContact O-CG2 3.32Å; L483-V491 WeakPolarHBondContact O-CG2 3.49Å; L484-V491 HydrophobicContact CD2-CG1 3.78Å; L484-V491 HydrophobicContact CD2-CG2 4.4Å; R487-V491 HydrophobicContact CB-CG2 4.29Å; R487-V491 PolarHBondContact O-N 3.18Å; V491-R495 HydrophobicContact CG1-CB 3.75Å; V491-I496 HydrophobicContact CB-CD1 4.43Å; V491-I496 HydrophobicContact CB-CG1 4.42Å; V491-I496 HydrophobicContact CG1-CD1 4.3Å; V491-I496 HydrophobicContact CG1-CG1 3.84Å
492S91.6Very high90.7Very high45 Ų4543.5 Ų43.532%0.31520%0.204SC..  trans-64.4148.1175.965.50000112.1N494 R495 I496S492-N494 VanDerWaalsContact C-N 3.29Å; S492-N494 PolarHBondContact O-N 2.79Å; S492-R495 PolarHBondContact O-N 2.91Å; S492-R495 VanDerWaalsContact OG-CG 3.28Å; S492-R495 WeakPolarHBondContact OG-CG 3.47Å; S492-I496 PolarHBondContact O-N 2.91Å
493T90.6Very high90.9Very high36 Ų3643.2 Ų43.222%0.22120%0.203CC..Hα-helixtrans-59.3-40.6178.9-55.80000111.8R495 I496 L497 R532T493-R495 VanDerWaalsContact C-N 3.33Å; T493-R495 PolarHBondContact O-N 2.9Å; T493-I496 WeakPolarHBondContact O-CB 3.15Å; T493-I496 PolarHBondContact O-N 2.72Å; T493-I496 VanDerWaalsContact O-N 3.13Å; T493-L497 HydrophobicContact CG2-CD1 4.12Å; T493-L497 HydrophobicContact CG2-CG 4.22Å; T493-L497 WeakPolarHBondContact O-CG 3.13Å; T493-L497 PolarHBondContact O-N 2.86Å; T493-R532 HydrophobicContact CG2-CB 3.77Å; T493-R532 HydrophobicContact CG2-CG 4.37Å; T493-R532 WeakPolarHBondContact OG1-CD 3.36Å; T493-R532 PolarHBondContact OG1-NH1 3.45Å
494N91.7Very high91Very high77 Ų7742.9 Ų42.941%0.41220%0.201SC..Hα-helixtrans-57.9-43.5177-73.7-8.7000112.1S492 I496 L497 A498 P559S492-N494 VanDerWaalsContact C-N 3.29Å; S492-N494 PolarHBondContact O-N 2.79Å; N494-I496 VanDerWaalsContact C-N 3.34Å; N494-I496 PolarHBondContact O-N 3.5Å; N494-L497 PolarHBondContact O-N 2.83Å; N494-A498 VanDerWaalsContact O-CB 3.3Å; N494-A498 WeakPolarHBondContact O-CB 3.41Å; N494-A498 PolarHBondContact O-N 3.34Å; N494-P559 WeakPolarHBondContact O-CG 3.3Å
495R93.1Very high90.9Very high38 Ų3843.9 Ų43.914%0.14321%0.208CC..Hα-helixtrans-59.9-45.5175.9-73.7179.6-170.6-168.45.4111.6V491 S492 T493 L497 A498 F499 P554 E555V491-R495 HydrophobicContact CG1-CB 3.75Å; S492-R495 PolarHBondContact O-N 2.91Å; S492-R495 VanDerWaalsContact OG-CG 3.28Å; S492-R495 WeakPolarHBondContact OG-CG 3.47Å; T493-R495 VanDerWaalsContact C-N 3.33Å; T493-R495 PolarHBondContact O-N 2.9Å; R495-L497 PolarHBondContact O-N 3.33Å; R495-A498 PolarHBondContact O-N 2.72Å; R495-F499 VanDerWaalsContact O-CD2 3.24Å; R495-F499 WeakPolarHBondContact O-CD2 3.19Å; R495-F499 PolarHBondContact O-N 2.78Å; R495-P554 HydrophobicContact CG-CB 4.23Å; R495-P554 HydrophobicContact CG-CG 4.06Å; R495-E555 HydrophobicContact CG-CG 3.88Å; R495-E555 IonicContact CZ-OE1 2.71Å; R495-E555 IonicContact NE-OE1 2.63Å; R495-E555 PolarHBondContact NE-OE1 3.18Å; R495-E555 IonicContact NH2-OE1 3.85Å; R495-E555 PolarHBondContact NH2-OE1 3.46Å; R495-E555 IonicContact NH2-OE2 3.32Å
496I94.3Very high90.9Very high7 Ų742.4 Ų42.44%0.03620%0.199CC..Hα-helixtrans-59.5-49.4179.4-65156.5000110.4L484 V491 S492 T493 N494 A498 F499 S500 F530L484-I496 HydrophobicContact CD2-CG1 4.34Å; V491-I496 HydrophobicContact CB-CD1 4.43Å; V491-I496 HydrophobicContact CB-CG1 4.42Å; V491-I496 HydrophobicContact CG1-CD1 4.3Å; V491-I496 HydrophobicContact CG1-CG1 3.84Å; S492-I496 PolarHBondContact O-N 2.91Å; T493-I496 WeakPolarHBondContact O-CB 3.15Å; T493-I496 PolarHBondContact O-N 2.72Å; T493-I496 VanDerWaalsContact O-N 3.13Å; N494-I496 VanDerWaalsContact C-N 3.34Å; N494-I496 PolarHBondContact O-N 3.5Å; I496-A498 VanDerWaalsContact C-N 3.34Å; I496-A498 PolarHBondContact O-N 3.26Å; I496-F499 PolarHBondContact O-N 2.69Å; I496-S500 WeakPolarHBondContact O-CB 3.24Å; I496-S500 PolarHBondContact O-N 3.46Å; I496-S500 PolarHBondContact O-OG 3.27Å; I496-F530 HydrophobicContact CD1-CD1 3.48Å; I496-F530 VanDerWaalsContact CD1-CD1 3.48Å; I496-F530 HydrophobicContact CD1-CD2 4.2Å; I496-F530 HydrophobicContact CD1-CE1 3.46Å; I496-F530 VanDerWaalsContact CD1-CE1 3.46Å; I496-F530 HydrophobicContact CD1-CE2 4.2Å; I496-F530 HydrophobicContact CD1-CG 3.86Å; I496-F530 HydrophobicContact CD1-CZ 3.83Å; I496-F530 HydrophobicContact CG1-CD1 4.43Å; I496-F530 HydrophobicContact CG1-CD2 4.31Å; I496-F530 HydrophobicContact CG1-CE1 4.32Å; I496-F530 HydrophobicContact CG1-CE2 4.22Å; I496-F530 HydrophobicContact CG1-CG 4.41Å; I496-F530 HydrophobicContact CG1-CZ 4.22Å; I496-F530 HydrophobicContact CG2-CB 3.89Å; I496-F530 HydrophobicContact CG2-CD2 3.56Å; I496-F530 HydrophobicContact CG2-CE2 4.18Å; I496-F530 HydrophobicContact CG2-CG 3.75Å
497L93.4Very high91.1Very high2 Ų234.2 Ų34.21%0.0117%0.168CC..Hα-helixtrans-60-44.3178.4-64.7177.4000111.7T493 N494 R495 S500 K501 C533 L536 P559 A560T493-L497 HydrophobicContact CG2-CD1 4.12Å; T493-L497 HydrophobicContact CG2-CG 4.22Å; T493-L497 WeakPolarHBondContact O-CG 3.13Å; T493-L497 PolarHBondContact O-N 2.86Å; N494-L497 PolarHBondContact O-N 2.83Å; R495-L497 PolarHBondContact O-N 3.33Å; L497-S500 PolarHBondContact O-N 2.85Å; L497-K501 WeakPolarHBondContact O-CB 3.19Å; L497-K501 PolarHBondContact O-N 2.78Å; L497-C533 HydrophobicContact CD2-CB 4.28Å; L497-L536 HydrophobicContact CB-CD2 4.41Å; L497-L536 HydrophobicContact CD2-CD1 3.87Å; L497-L536 HydrophobicContact CD2-CD2 4.13Å; L497-L536 HydrophobicContact CD2-CG 3.76Å; L497-P559 HydrophobicContact CB-CB 3.79Å; L497-P559 HydrophobicContact CB-CG 3.56Å; L497-P559 HydrophobicContact CD1-CG 4.46Å; L497-A560 HydrophobicContact CD1-CB 4.09Å
498A93.2Very high91.2Very high0 Ų034.8 Ų34.80%017%0.174CC..Hα-helixtrans-60.3-49.8178.400000111.7Y389 N494 R495 I496 K501 R502 P554 C557 P559Y389-A498 HydrophobicContact CE2-CB 3.7Å; Y389-A498 WeakPolarHBondContact CE2-O 3.33Å; N494-A498 VanDerWaalsContact O-CB 3.3Å; N494-A498 WeakPolarHBondContact O-CB 3.41Å; N494-A498 PolarHBondContact O-N 3.34Å; R495-A498 PolarHBondContact O-N 2.72Å; I496-A498 VanDerWaalsContact C-N 3.34Å; I496-A498 PolarHBondContact O-N 3.26Å; A498-K501 PolarHBondContact O-N 3.13Å; A498-R502 PolarHBondContact O-N 3.45Å; A498-P554 HydrophobicContact CB-CB 3.68Å; A498-P554 WeakPolarHBondContact CB-O 3.17Å; A498-C557 VanDerWaalsContact CB-SG 3.54Å; A498-P559 HydrophobicContact CB-CB 4.05Å; A498-P559 HydrophobicContact CB-CG 4.04Å
499F95.7Very high91.2Very high0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-62.7-45.6177.5-86.8-75.2000111.6L388 Y389 L392 L480 L483 L484 R495 I496 K501 R502 L503 P554L388-F499 HydrophobicContact CB-CE1 4.31Å; L388-F499 HydrophobicContact CB-CZ 4.43Å; L388-F499 HydrophobicContact CD2-CE1 4.02Å; L388-F499 HydrophobicContact CD2-CZ 4.39Å; L388-F499 HydrophobicContact CG-CE1 4.06Å; Y389-F499 HydrophobicContact CD2-CD1 4.04Å; Y389-F499 HydrophobicContact CD2-CD2 4.44Å; Y389-F499 HydrophobicContact CD2-CE1 4.01Å; Y389-F499 HydrophobicContact CD2-CE2 4.4Å; Y389-F499 HydrophobicContact CD2-CG 4.26Å; Y389-F499 HydrophobicContact CD2-CZ 4.19Å; Y389-F499 HydrophobicContact CG-CZ 4.46Å; L392-F499 HydrophobicContact CD2-CD1 4.1Å; L480-F499 HydrophobicContact CD2-CD1 3.67Å; L480-F499 HydrophobicContact CD2-CE1 4.05Å; L480-F499 HydrophobicContact CD2-CG 4.33Å; L483-F499 HydrophobicContact CD1-CZ 4.27Å; L483-F499 HydrophobicContact CD2-CE2 4.38Å; L484-F499 HydrophobicContact CD1-CB 3.87Å; L484-F499 HydrophobicContact CD1-CD2 4.4Å; L484-F499 HydrophobicContact CD1-CG 4.12Å; L484-F499 HydrophobicContact CD2-CD2 4.17Å; R495-F499 VanDerWaalsContact O-CD2 3.24Å; R495-F499 WeakPolarHBondContact O-CD2 3.19Å; R495-F499 PolarHBondContact O-N 2.78Å; I496-F499 PolarHBondContact O-N 2.69Å; F499-K501 VanDerWaalsContact C-N 3.3Å; F499-K501 PolarHBondContact O-N 3.17Å; F499-R502 PolarHBondContact O-N 3.34Å; F499-L503 WeakPolarHBondContact O-CB 3.41Å; F499-L503 PolarHBondContact O-N 3.2Å; F499-P554 HydrophobicContact CE2-CB 4.48Å; F499-P554 HydrophobicContact CE2-CG 4.43Å
500S95Very high91.2Very high0 Ų023.4 Ų23.40%013%0.126CC..Hα-helixtrans-57.4-43.1176.6-660000111.7I496 L497 L503 A504 L523I496-S500 WeakPolarHBondContact O-CB 3.24Å; I496-S500 PolarHBondContact O-N 3.46Å; I496-S500 PolarHBondContact O-OG 3.27Å; L497-S500 PolarHBondContact O-N 2.85Å; S500-L503 PolarHBondContact O-N 2.89Å; S500-A504 PolarHBondContact O-N 3.46Å; S500-L523 WeakPolarHBondContact O-CD1 3.37Å
501K92Very high91Very high16 Ų1619.2 Ų19.27%0.0711%0.112CC..Hα-helixtrans-64.8-50.7178.1-177.256.9-179.5163.80112.4L497 A498 F499 L503 A504 S505 Y547 C563 L564 D566L497-K501 WeakPolarHBondContact O-CB 3.19Å; L497-K501 PolarHBondContact O-N 2.78Å; A498-K501 PolarHBondContact O-N 3.13Å; F499-K501 VanDerWaalsContact C-N 3.3Å; F499-K501 PolarHBondContact O-N 3.17Å; K501-L503 PolarHBondContact O-N 3.3Å; K501-A504 PolarHBondContact O-N 3.46Å; K501-S505 PolarHBondContact O-N 3.35Å; K501-S505 VanDerWaalsContact O-N 3.13Å; K501-S505 PolarHBondContact O-OG 3.11Å; K501-Y547 HydrophobicContact CG-CE1 4.42Å; K501-C563 WeakPolarHBondContact CE-O 3.35Å; K501-C563 PolarHBondContact NZ-O 2.95Å; K501-L564 HydrophobicContact CD-CD2 3.9Å; K501-D566 IonicContact NZ-OD2 3.96Å; K501-D566 PolarHBondContact NZ-OD2 3.22Å
502R92.5Very high90.9Very high2 Ų220.1 Ų20.11%0.00812%0.116CC..Hα-helixtrans-64.8-28.9176.9-77-160.5-178.8178.9-2.3112.5Y389 L392 C399 A498 F499 S505 A506 S549 V551 N552Y389-R502 VanDerWaalsContact C-NH1 3.27Å; Y389-R502 VanDerWaalsContact CD1-CZ 3.43Å; Y389-R502 HydrophobicContact CD2-CG 4.39Å; Y389-R502 HydrophobicContact CE2-CB 4.1Å; Y389-R502 HydrophobicContact CE2-CG 3.58Å; Y389-R502 VanDerWaalsContact CZ-CZ 3.41Å; Y389-R502 PolarHBondContact O-NH1 2.88Å; Y389-R502 PolarHBondContact OH-NE 3.49Å; Y389-R502 VanDerWaalsContact OH-NE 3.15Å; L392-R502 HydrophobicContact CB-CB 4.46Å; L392-R502 HydrophobicContact CD2-CB 3.59Å; L392-R502 HydrophobicContact CG-CB 3.8Å; C399-R502 PolarHBondContact SG-NH2 3.23Å; C399-R502 VanDerWaalsContact SG-NH2 3.44Å; A498-R502 PolarHBondContact O-N 3.45Å; F499-R502 PolarHBondContact O-N 3.34Å; R502-S505 PolarHBondContact O-N 3.35Å; R502-A506 VanDerWaalsContact O-CB 3.25Å; R502-A506 WeakPolarHBondContact O-CB 3.11Å; R502-A506 PolarHBondContact O-N 3.1Å; R502-S549 PolarHBondContact NH2-O 3.32Å; R502-V551 PolarHBondContact NH2-O 2.85Å; R502-N552 PolarHBondContact NH1-OD1 3.37Å; R502-N552 VanDerWaalsContact NH1-OD1 3.14Å; R502-N552 PolarHBondContact NH2-OD1 2.85Å
503L94.4Very high90.8Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-70.1-40.2177.9-171165.8000111.1L392 L480 F499 S500 K501 A506 A507 L519 K522 L523 L526L392-L503 HydrophobicContact CD2-CB 4.08Å; L480-L503 HydrophobicContact CD1-CD1 3.54Å; F499-L503 WeakPolarHBondContact O-CB 3.41Å; F499-L503 PolarHBondContact O-N 3.2Å; S500-L503 PolarHBondContact O-N 2.89Å; K501-L503 PolarHBondContact O-N 3.3Å; L503-A506 PolarHBondContact O-N 3.15Å; L503-A507 WeakPolarHBondContact O-CB 3.1Å; L503-A507 PolarHBondContact O-N 2.95Å; L503-L519 HydrophobicContact CD2-CB 4.2Å; L503-L519 WeakPolarHBondContact CD2-O 3.18Å; L503-K522 HydrophobicContact CD1-CB 4.39Å; L503-K522 HydrophobicContact CD1-CG 4.01Å; L503-L523 HydrophobicContact CD2-CB 3.54Å; L503-L523 HydrophobicContact CD2-CD1 4.23Å; L503-L523 HydrophobicContact CD2-CG 4.32Å; L503-L526 HydrophobicContact CD1-CD1 3.96Å
504A92.7Very high90.7Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-63.2-45172.500000112.1S500 K501 A506 A507 L508 L523 L564 D566S500-A504 PolarHBondContact O-N 3.46Å; K501-A504 PolarHBondContact O-N 3.46Å; A504-A506 VanDerWaalsContact C-N 3.33Å; A504-A506 PolarHBondContact O-N 3.45Å; A504-A507 PolarHBondContact O-N 3.39Å; A504-L508 PolarHBondContact O-N 3.3Å; A504-L508 VanDerWaalsContact O-N 3.09Å; A504-L523 HydrophobicContact CB-CD2 3.79Å; A504-L564 HydrophobicContact CB-CD2 3.54Å; A504-D566 HydrophobicContact CB-CB 4.23Å
505S89.7Confident90.7Very high22 Ų2214.3 Ų14.315%0.1548%0.082CC..Hα-helixtrans-65.7-35.9175.8-57.50000112.4K501 R502 L508 A509 D566K501-S505 PolarHBondContact O-N 3.35Å; K501-S505 VanDerWaalsContact O-N 3.13Å; K501-S505 PolarHBondContact O-OG 3.11Å; R502-S505 PolarHBondContact O-N 3.35Å; S505-L508 PolarHBondContact O-N 3.37Å; S505-A509 WeakPolarHBondContact O-CB 2.95Å; S505-A509 PolarHBondContact O-N 3.02Å; S505-D566 WeakPolarHBondContact CA-OD1 3.24Å; S505-D566 PolarHBondContact OG-OD1 2.96Å; S505-D566 PolarHBondContact OG-OD2 3.37Å
506A90.2Very high90.6Very high0 Ų012.5 Ų12.50%08%0.075CC..Hα-helixtrans-63.4-46.2172.800000111L392 I395 A396 R502 L503 A504 L508 A509 V510 L519L392-A506 HydrophobicContact CD1-CB 3.53Å; L392-A506 HydrophobicContact CG-CB 4.29Å; I395-A506 HydrophobicContact CG2-CB 3.97Å; A396-A506 HydrophobicContact CB-CB 4.34Å; R502-A506 VanDerWaalsContact O-CB 3.25Å; R502-A506 WeakPolarHBondContact O-CB 3.11Å; R502-A506 PolarHBondContact O-N 3.1Å; L503-A506 PolarHBondContact O-N 3.15Å; A504-A506 VanDerWaalsContact C-N 3.33Å; A504-A506 PolarHBondContact O-N 3.45Å; A506-L508 VanDerWaalsContact C-N 3.25Å; A506-L508 PolarHBondContact O-N 2.98Å; A506-A509 PolarHBondContact O-N 3.19Å; A506-V510 WeakPolarHBondContact O-CG2 3.38Å; A506-V510 PolarHBondContact O-N 2.89Å; A506-L519 HydrophobicContact CB-CD1 4.23Å
507A92.3Very high90.6Very high0 Ų012.1 Ų12.10%07%0.073CC..Hα-helixtrans-59.1-35.4177.700000113L503 A504 S516 L519 L520 L570L503-A507 WeakPolarHBondContact O-CB 3.1Å; L503-A507 PolarHBondContact O-N 2.95Å; A504-A507 PolarHBondContact O-N 3.39Å; A507-S516 WeakPolarHBondContact O-CB 3.12Å; A507-S516 PolarHBondContact O-OG 2.98Å; A507-L519 HydrophobicContact CB-CB 3.84Å; A507-L519 HydrophobicContact CB-CD1 4.38Å; A507-L520 HydrophobicContact CB-CD2 3.94Å; A507-L520 HydrophobicContact CB-CG 3.96Å; A507-L570 HydrophobicContact CB-CD1 4.41Å
508L89.4Confident90.6Very high58 Ų5812.1 Ų12.130%0.3047%0.073SC..Hα-helixtrans-69.7-35.7172.917864.9000112.9A504 S505 A506 D566 L569 L570A504-L508 PolarHBondContact O-N 3.3Å; A504-L508 VanDerWaalsContact O-N 3.09Å; S505-L508 PolarHBondContact O-N 3.37Å; A506-L508 VanDerWaalsContact C-N 3.25Å; A506-L508 PolarHBondContact O-N 2.98Å; L508-D566 HydrophobicContact CB-CB 4.34Å; L508-D566 HydrophobicContact CD2-CB 4.05Å; L508-L569 HydrophobicContact CD1-CB 3.77Å; L508-L569 HydrophobicContact CD1-CD1 4.47Å; L508-L569 HydrophobicContact CD2-CB 4.34Å; L508-L569 HydrophobicContact CD2-CD1 3.8Å; L508-L570 HydrophobicContact CB-CD1 4.4Å; L508-L570 HydrophobicContact CB-CD2 4.43Å; L508-L570 HydrophobicContact CB-CG 4.3Å; L508-L570 HydrophobicContact CD1-CD2 4.18Å; L508-L570 HydrophobicContact CD1-CG 4.04Å
509A84.6Confident90.7Very high15 Ų1512.3 Ų12.312%0.1247%0.074CC..Hα-helixtrans-77.9-21.9-179.300000113.6I395 T425 S505 A506 S511I395-A509 WeakPolarHBondContact O-CB 3Å; T425-A509 HydrophobicContact CG2-CB 4.48Å; T425-A509 WeakPolarHBondContact CG2-O 3.16Å; S505-A509 WeakPolarHBondContact O-CB 2.95Å; S505-A509 PolarHBondContact O-N 3.02Å; A506-A509 PolarHBondContact O-N 3.19Å; A509-S511 PolarHBondContact O-N 3.32Å
510V85.7Confident90.7Very high11 Ų1112.3 Ų12.37%0.0677%0.074CC..  trans-77.4126.9178.5-166.70000110.9I395 M469 A506 D512 C515 L519I395-V510 HydrophobicContact CG2-CG2 4.28Å; M469-V510 HydrophobicContact CE-CB 4.3Å; M469-V510 HydrophobicContact CE-CG1 3.97Å; M469-V510 HydrophobicContact CE-CG2 3.36Å; M469-V510 HydrophobicContact CG-CG1 3.93Å; A506-V510 WeakPolarHBondContact O-CG2 3.38Å; A506-V510 PolarHBondContact O-N 2.89Å; V510-D512 HydrophobicContact CG1-CB 4.26Å; V510-C515 HydrophobicContact CB-CB 4.36Å; V510-C515 HydrophobicContact CG1-CB 3.46Å; V510-C515 VanDerWaalsContact CG1-CB 3.46Å; V510-L519 HydrophobicContact CG2-CD1 3.77Å
511S81.2Confident90.8Very high52 Ų5212.5 Ų12.536%0.3648%0.075SC..  trans-80.5-27.4179.6-46.20000113.7N424 T425 A509N424-S511 PolarHBondContact O-OG 2.9Å; N424-S511 VanDerWaalsContact O-OG 3.08Å; T425-S511 PolarHBondContact N-OG 2.72Å; A509-S511 PolarHBondContact O-N 3.32Å
512D86.5Confident90.9Very high41 Ų4112.1 Ų12.122%0.2197%0.073CC..SBendtrans-74.5121.1178.2175.855.6000110.6V510 Y514 C515 S516V510-D512 HydrophobicContact CG1-CB 4.26Å; D512-Y514 VanDerWaalsContact C-N 3.26Å; D512-Y514 PolarHBondContact O-N 3.03Å; D512-Y514 WeakPolarHBondContact OD2-CB 3.46Å; D512-Y514 PolarHBondContact OD2-N 3.5Å; D512-C515 HydrophobicContact CB-CB 4.19Å; D512-C515 PolarHBondContact O-N 3.31Å; D512-C515 PolarHBondContact OD2-N 3.25Å; D512-C515 PolarHBondContact OD2-SG 3.35Å; D512-S516 PolarHBondContact O-N 2.88Å
513P88.2Confident91.1Very high30 Ų3012 Ų1220%0.1957%0.073CC..Hα-helixtrans-63.2-31.4-176.324.8-35.2000112.7S517 D575 V578 I635P513-S517 WeakPolarHBondContact O-CB 3.06Å; P513-S517 PolarHBondContact O-N 3.49Å; P513-S517 PolarHBondContact O-OG 3.18Å; P513-D575 HydrophobicContact CB-CB 3.96Å; P513-V578 HydrophobicContact CB-CG2 4.21Å; P513-I635 HydrophobicContact CB-CD1 4.11Å; P513-I635 HydrophobicContact CB-CG2 4.49Å; P513-I635 HydrophobicContact CG-CD1 4.3Å; P513-I635 HydrophobicContact CG-CG2 3.93Å
514Y89.9Confident91.2Very high6 Ų612 Ų122%0.0247%0.073CC..Hα-helixtrans-64.8-52.1176163.8-98.9000111E470 D474 D512 S516 S517 S518 R628 L631E470-Y514 HydrophobicContact CG-CD1 3.9Å; E470-Y514 HydrophobicContact CG-CE1 4.15Å; D474-Y514 PolarHBondContact OD1-OH 2.98Å; D512-Y514 VanDerWaalsContact C-N 3.26Å; D512-Y514 PolarHBondContact O-N 3.03Å; D512-Y514 WeakPolarHBondContact OD2-CB 3.46Å; D512-Y514 PolarHBondContact OD2-N 3.5Å; Y514-S516 PolarHBondContact O-N 3.43Å; Y514-S517 PolarHBondContact O-N 2.8Å; Y514-S518 WeakPolarHBondContact O-CB 3.26Å; Y514-S518 PolarHBondContact O-N 2.75Å; Y514-R628 HydrophobicContact CE2-CB 4.06Å; Y514-R628 HydrophobicContact CE2-CG 4.07Å; Y514-R628 WeakPolarHBondContact OH-CB 3.48Å; Y514-L631 HydrophobicContact CD2-CB 3.6Å; Y514-L631 HydrophobicContact CD2-CD1 3.69Å; Y514-L631 HydrophobicContact CD2-CG 4.31Å; Y514-L631 HydrophobicContact CE2-CB 3.93Å; Y514-L631 HydrophobicContact CE2-CD1 3.63Å; Y514-L631 HydrophobicContact CE2-CG 4.39Å
515C90.8Very high91.3Very high0 Ų013.4 Ų13.40%08%0.08CC..Hα-helixtrans-60.9-43.7178.4-67.60000112.1M469 V510 D512 S518 L519M469-C515 HydrophobicContact CG-CB 4.44Å; V510-C515 HydrophobicContact CB-CB 4.36Å; V510-C515 HydrophobicContact CG1-CB 3.46Å; V510-C515 VanDerWaalsContact CG1-CB 3.46Å; D512-C515 HydrophobicContact CB-CB 4.19Å; D512-C515 PolarHBondContact O-N 3.31Å; D512-C515 PolarHBondContact OD2-N 3.25Å; D512-C515 PolarHBondContact OD2-SG 3.35Å; C515-S518 PolarHBondContact O-N 2.76Å; C515-L519 VanDerWaalsContact O-CG 3.32Å; C515-L519 WeakPolarHBondContact O-CG 3.38Å; C515-L519 PolarHBondContact O-N 3.22Å
516S91.7Very high91.5Very high0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-60.4-46.3176.1-173.50000111.5A507 D512 Y514 S518 L519 L520A507-S516 WeakPolarHBondContact O-CB 3.12Å; A507-S516 PolarHBondContact O-OG 2.98Å; D512-S516 PolarHBondContact O-N 2.88Å; Y514-S516 PolarHBondContact O-N 3.43Å; S516-S518 PolarHBondContact O-N 3.39Å; S516-L519 PolarHBondContact O-N 3.01Å; S516-L520 WeakPolarHBondContact O-CG 3.5Å; S516-L520 PolarHBondContact O-N 3.38Å
517S93.8Very high91.6Very high0 Ų012.4 Ų12.40%07%0.072CC..Hα-helixtrans-61.7-44.3176.4-62.50000112.6P513 Y514 L519 L520 I521 V578P513-S517 WeakPolarHBondContact O-CB 3.06Å; P513-S517 PolarHBondContact O-N 3.49Å; P513-S517 PolarHBondContact O-OG 3.18Å; Y514-S517 PolarHBondContact O-N 2.8Å; S517-L519 VanDerWaalsContact C-N 3.34Å; S517-L519 PolarHBondContact O-N 3.37Å; S517-L520 PolarHBondContact O-N 2.98Å; S517-I521 WeakPolarHBondContact O-CD1 3.33Å; S517-I521 VanDerWaalsContact O-CG1 3.28Å; S517-I521 WeakPolarHBondContact O-CG1 3.21Å; S517-I521 PolarHBondContact O-N 3.36Å; S517-V578 WeakPolarHBondContact OG-CG2 3.39Å
518S93.6Very high91.6Very high2 Ų215.8 Ų15.81%0.0149%0.085CC..Hα-helixtrans-61.5-42.2178.5-169.40000111.7I477 Y514 C515 S516 K522I477-S518 WeakPolarHBondContact CD1-OG 3.49Å; Y514-S518 WeakPolarHBondContact O-CB 3.26Å; Y514-S518 PolarHBondContact O-N 2.75Å; C515-S518 PolarHBondContact O-N 2.76Å; S516-S518 PolarHBondContact O-N 3.39Å; S518-K522 PolarHBondContact O-N 2.74Å
519L95.2Very high91.7Very high3 Ų315.4 Ų15.42%0.0168%0.083CC..Hα-helixtrans-64.1-45172.4-68.5174.7000111.3L476 L503 A506 A507 V510 C515 S516 S517 I521 K522 L523L476-L519 HydrophobicContact CD2-CD2 4.28Å; L503-L519 HydrophobicContact CD2-CB 4.2Å; L503-L519 WeakPolarHBondContact CD2-O 3.18Å; A506-L519 HydrophobicContact CB-CD1 4.23Å; A507-L519 HydrophobicContact CB-CB 3.84Å; A507-L519 HydrophobicContact CB-CD1 4.38Å; V510-L519 HydrophobicContact CG2-CD1 3.77Å; C515-L519 VanDerWaalsContact O-CG 3.32Å; C515-L519 WeakPolarHBondContact O-CG 3.38Å; C515-L519 PolarHBondContact O-N 3.22Å; S516-L519 PolarHBondContact O-N 3.01Å; S517-L519 VanDerWaalsContact C-N 3.34Å; S517-L519 PolarHBondContact O-N 3.37Å; L519-I521 PolarHBondContact O-N 3.31Å; L519-K522 CarbonylContact O-C 3.55Å; L519-K522 WeakPolarHBondContact O-CA 3.43Å; L519-K522 WeakPolarHBondContact O-CB 3.21Å; L519-K522 PolarHBondContact O-N 3.33Å; L519-K522 VanDerWaalsContact O-N 3.09Å; L519-L523 PolarHBondContact O-N 3.02Å
520L96.3Very high92.1Very high0 Ų015.7 Ų15.70%08%0.082CC..Hα-helixtrans-63.7-38.9178.3-71.5172.3000113.7A507 S516 S517 K522 L523 F524 L567 L570 V578 L581 I585A507-L520 HydrophobicContact CB-CD2 3.94Å; A507-L520 HydrophobicContact CB-CG 3.96Å; S516-L520 WeakPolarHBondContact O-CG 3.5Å; S516-L520 PolarHBondContact O-N 3.38Å; S517-L520 PolarHBondContact O-N 2.98Å; L520-K522 VanDerWaalsContact C-N 3.25Å; L520-K522 PolarHBondContact O-N 3.03Å; L520-L523 HydrophobicContact CD2-CD2 4.24Å; L520-L523 VanDerWaalsContact O-CB 3.31Å; L520-L523 WeakPolarHBondContact O-CB 3.41Å; L520-L523 PolarHBondContact O-N 2.78Å; L520-F524 PolarHBondContact O-N 2.87Å; L520-L567 HydrophobicContact CD2-CD2 3.98Å; L520-L570 HydrophobicContact CD1-CD1 4.19Å; L520-L570 HydrophobicContact CD2-CD1 3.7Å; L520-L570 HydrophobicContact CG-CD1 4.41Å; L520-V578 HydrophobicContact CD1-CG1 3.92Å; L520-L581 HydrophobicContact CB-CB 4.36Å; L520-L581 HydrophobicContact CB-CD1 4.43Å; L520-L581 HydrophobicContact CD1-CB 4.16Å; L520-I585 HydrophobicContact CB-CD1 4.02Å; L520-I585 HydrophobicContact CD2-CD1 3.97Å
521I96Very high92.1Very high4 Ų417.5 Ų17.52%0.0219%0.094CC..Hα-helixtrans-62.2-40.4173.2-68.4161.5000109.6S517 L519 F524 H525 L581 L616 L619 T620 L627 L631S517-I521 WeakPolarHBondContact O-CD1 3.33Å; S517-I521 VanDerWaalsContact O-CG1 3.28Å; S517-I521 WeakPolarHBondContact O-CG1 3.21Å; S517-I521 PolarHBondContact O-N 3.36Å; L519-I521 PolarHBondContact O-N 3.31Å; I521-F524 PolarHBondContact O-N 3.11Å; I521-H525 PolarHBondContact O-N 2.91Å; I521-L581 HydrophobicContact CD1-CD1 4.35Å; I521-L581 HydrophobicContact CG1-CD1 4.15Å; I521-L581 HydrophobicContact CG1-CD2 4.04Å; I521-L616 HydrophobicContact CG1-CD1 3.95Å; I521-L619 HydrophobicContact CD1-CB 4.17Å; I521-L619 HydrophobicContact CD1-CD1 3.99Å; I521-L619 HydrophobicContact CG1-CB 4.49Å; I521-L619 HydrophobicContact CG1-CD1 4.5Å; I521-L619 HydrophobicContact CG2-CB 4.06Å; I521-T620 HydrophobicContact CG2-CG2 3.98Å; I521-L627 HydrophobicContact CD1-CD1 3.84Å; I521-L631 HydrophobicContact CD1-CD1 4.03Å; I521-L631 HydrophobicContact CD1-CD2 3.98Å; I521-L631 HydrophobicContact CD1-CG 4.37Å
522K95.3Very high92.4Very high8 Ų822.7 Ų22.74%0.03511%0.105CC..Hα-helixtrans-66.5-37.3175.1-173.956.8-175.7160.40112.6I477 L480 N481 L503 S518 L519 L520 H525 L526I477-K522 HydrophobicContact CG1-CB 4.2Å; I477-K522 HydrophobicContact CG1-CG 4.22Å; I477-K522 HydrophobicContact CG2-CD 4.19Å; I477-K522 HydrophobicContact CG2-CG 4.43Å; L480-K522 HydrophobicContact CD1-CG 4.12Å; N481-K522 WeakPolarHBondContact OD1-CE 3.36Å; N481-K522 PolarHBondContact OD1-NZ 2.85Å; L503-K522 HydrophobicContact CD1-CB 4.39Å; L503-K522 HydrophobicContact CD1-CG 4.01Å; S518-K522 PolarHBondContact O-N 2.74Å; L519-K522 CarbonylContact O-C 3.55Å; L519-K522 WeakPolarHBondContact O-CA 3.43Å; L519-K522 WeakPolarHBondContact O-CB 3.21Å; L519-K522 PolarHBondContact O-N 3.33Å; L519-K522 VanDerWaalsContact O-N 3.09Å; L520-K522 VanDerWaalsContact C-N 3.25Å; L520-K522 PolarHBondContact O-N 3.03Å; K522-H525 PolarHBondContact NZ-ND1 3.15Å; K522-H525 PolarHBondContact O-N 3.07Å; K522-L526 WeakPolarHBondContact O-CG 3.47Å; K522-L526 PolarHBondContact O-N 3.29Å; K522-L526 VanDerWaalsContact O-N 3.08Å
523L96.6Very high92.5Very high0 Ų020.8 Ų20.80%010%0.095CC..Hα-helixtrans-58.1-53172-175.355.4000110.1S500 L503 A504 L519 L520 H525 L526 L527 L567 I585S500-L523 WeakPolarHBondContact O-CD1 3.37Å; L503-L523 HydrophobicContact CD2-CB 3.54Å; L503-L523 HydrophobicContact CD2-CD1 4.23Å; L503-L523 HydrophobicContact CD2-CG 4.32Å; A504-L523 HydrophobicContact CB-CD2 3.79Å; L519-L523 PolarHBondContact O-N 3.02Å; L520-L523 HydrophobicContact CD2-CD2 4.24Å; L520-L523 VanDerWaalsContact O-CB 3.31Å; L520-L523 WeakPolarHBondContact O-CB 3.41Å; L520-L523 PolarHBondContact O-N 2.78Å; L523-H525 VanDerWaalsContact C-N 3.29Å; L523-H525 PolarHBondContact O-N 3.27Å; L523-L526 WeakPolarHBondContact O-CB 3.45Å; L523-L526 PolarHBondContact O-N 3.42Å; L523-L527 HydrophobicContact CD1-CD1 4.43Å; L523-L527 HydrophobicContact CD1-CG 4.26Å; L523-L527 HydrophobicContact CG-CD1 4.02Å; L523-L527 HydrophobicContact CG-CG 4.28Å; L523-L527 WeakPolarHBondContact O-CG 3.32Å; L523-L527 PolarHBondContact O-N 2.99Å; L523-L567 HydrophobicContact CD2-CD2 4.19Å; L523-I585 HydrophobicContact CD2-CD1 4.44Å
524F95.4Very high92.5Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-56.9-43.2179.6-179.7-101.9000111.9L520 I521 L526 L527 R528 I585 W588 Y605 L616 T620L520-F524 PolarHBondContact O-N 2.87Å; I521-F524 PolarHBondContact O-N 3.11Å; F524-L526 VanDerWaalsContact C-N 3.34Å; F524-L526 PolarHBondContact O-N 3Å; F524-L527 PolarHBondContact O-N 3.26Å; F524-R528 WeakPolarHBondContact O-CB 3.41Å; F524-R528 PolarHBondContact O-N 2.87Å; F524-I585 HydrophobicContact CB-CD1 4.3Å; F524-I585 HydrophobicContact CB-CG1 4.01Å; F524-I585 HydrophobicContact CD2-CG1 4.04Å; F524-I585 HydrophobicContact CG-CG1 4.46Å; F524-W588 HydrophobicContact CE2-CB 3.94Å; F524-W588 AromaticContact CE2-CD1 3.83Å; F524-W588 AromaticContact CE2-CG 3.85Å; F524-W588 HydrophobicContact CE2-CG 3.85Å; F524-Y605 HydrophobicContact CE2-CD2 4.27Å; F524-Y605 HydrophobicContact CE2-CG 4.38Å; F524-Y605 AromaticContact CZ-CD2 3.83Å; F524-Y605 HydrophobicContact CZ-CD2 3.83Å; F524-Y605 HydrophobicContact CZ-CE2 4.48Å; F524-Y605 HydrophobicContact CZ-CG 4.2Å; F524-L616 HydrophobicContact CB-CD2 4.06Å; F524-L616 HydrophobicContact CD1-CB 4.34Å; F524-L616 HydrophobicContact CD1-CD2 3.45Å; F524-L616 VanDerWaalsContact CD1-CD2 3.45Å; F524-L616 HydrophobicContact CD1-CG 3.45Å; F524-L616 VanDerWaalsContact CD1-CG 3.45Å; F524-L616 HydrophobicContact CD2-CD2 3.59Å; F524-L616 HydrophobicContact CE1-CB 4.05Å; F524-L616 HydrophobicContact CE1-CD2 3.67Å; F524-L616 HydrophobicContact CE1-CG 3.66Å; F524-L616 HydrophobicContact CE2-CD2 3.8Å; F524-L616 HydrophobicContact CG-CD2 3.39Å; F524-L616 HydrophobicContact CG-CG 3.91Å; F524-L616 HydrophobicContact CZ-CD2 3.83Å; F524-L616 HydrophobicContact CZ-CG 4.27Å; F524-T620 HydrophobicContact CD1-CG2 3.8Å; F524-T620 HydrophobicContact CE1-CG2 4.45Å
525H94.5Very high92.5Very high30 Ų3025.7 Ų25.714%0.13912%0.117CC..Hα-helixtrans-58.1-45.1174.2-178.2-169.3000111.8I521 K522 L523 L529 T620I521-H525 PolarHBondContact O-N 2.91Å; K522-H525 PolarHBondContact NZ-ND1 3.15Å; K522-H525 PolarHBondContact O-N 3.07Å; L523-H525 VanDerWaalsContact C-N 3.29Å; L523-H525 PolarHBondContact O-N 3.27Å; H525-L529 WeakPolarHBondContact O-CB 3.33Å; H525-L529 PolarHBondContact O-N 3.01Å; H525-T620 HydrophobicContact CB-CG2 3.71Å
526L94.5Very high92.4Very high0 Ų025.7 Ų25.70%012%0.117CC..Hα-helixtrans-64.5-43.3177.4-67.2178.2000112L484 V485 L503 K522 L523 F524 L529 F530L484-L526 HydrophobicContact CB-CD2 3.96Å; L484-L526 HydrophobicContact CD1-CD1 3.82Å; L484-L526 HydrophobicContact CD1-CD2 3.85Å; V485-L526 HydrophobicContact CG2-CD2 4.22Å; L503-L526 HydrophobicContact CD1-CD1 3.96Å; K522-L526 WeakPolarHBondContact O-CG 3.47Å; K522-L526 PolarHBondContact O-N 3.29Å; K522-L526 VanDerWaalsContact O-N 3.08Å; L523-L526 WeakPolarHBondContact O-CB 3.45Å; L523-L526 PolarHBondContact O-N 3.42Å; F524-L526 VanDerWaalsContact C-N 3.34Å; F524-L526 PolarHBondContact O-N 3Å; L526-L529 PolarHBondContact O-N 3.14Å; L526-F530 HydrophobicContact CD2-CD2 4.43Å; L526-F530 HydrophobicContact CD2-CE2 4.09Å; L526-F530 WeakPolarHBondContact O-CB 3.27Å; L526-F530 WeakPolarHBondContact O-CD2 3.28Å; L526-F530 PolarHBondContact O-N 3.25Å
527L93Very high92.3Very high0 Ų027.1 Ų27.10%012%0.123CC..Hα-helixtrans-59.8-47.2177.9-68.7179.5000111.5L523 F524 L529 F530 C533 F537 L564 I585 W588L523-L527 HydrophobicContact CD1-CD1 4.43Å; L523-L527 HydrophobicContact CD1-CG 4.26Å; L523-L527 HydrophobicContact CG-CD1 4.02Å; L523-L527 HydrophobicContact CG-CG 4.28Å; L523-L527 WeakPolarHBondContact O-CG 3.32Å; L523-L527 PolarHBondContact O-N 2.99Å; F524-L527 PolarHBondContact O-N 3.26Å; L527-L529 PolarHBondContact O-N 3.33Å; L527-F530 CarbonylContact O-C 3.6Å; L527-F530 PolarHBondContact O-N 3.04Å; L527-C533 HydrophobicContact CD2-CB 3.36Å; L527-F537 HydrophobicContact CD1-CE2 4.05Å; L527-F537 HydrophobicContact CD1-CZ 3.89Å; L527-F537 HydrophobicContact CD2-CE2 4.16Å; L527-L564 HydrophobicContact CD2-CD1 4.45Å; L527-I585 HydrophobicContact CD1-CG2 3.55Å; L527-W588 HydrophobicContact CB-CE3 4.05Å; L527-W588 HydrophobicContact CB-CH2 3.69Å; L527-W588 HydrophobicContact CB-CZ2 4.21Å; L527-W588 HydrophobicContact CB-CZ3 3.61Å; L527-W588 HydrophobicContact CD1-CE3 4.2Å; L527-W588 HydrophobicContact CD1-CZ3 4.16Å; L527-W588 HydrophobicContact CD2-CZ3 4.28Å; L527-W588 HydrophobicContact CG-CZ3 4.22Å; L527-W588 WeakPolarHBondContact O-CH2 3.46Å; L527-W588 VanDerWaalsContact O-CZ2 3.24Å; L527-W588 WeakPolarHBondContact O-CZ2 3.46Å
528R90.6Very high91.8Very high71 Ų7131 Ų3127%0.26814%0.144SC..Hα-helixtrans-67.7-35.3178.1-167.6171.9-172.41402.4112.8F524 S601 D617F524-R528 WeakPolarHBondContact O-CB 3.41Å; F524-R528 PolarHBondContact O-N 2.87Å; R528-S601 PolarHBondContact NH2-O 3.48Å; R528-S601 VanDerWaalsContact NH2-O 3.15Å; R528-D617 WeakPolarHBondContact CD-OD1 3.25Å; R528-D617 IonicContact CZ-OD1 2.67Å; R528-D617 IonicContact CZ-OD2 2.74Å; R528-D617 VanDerWaalsContact CZ-OD2 3.31Å; R528-D617 IonicContact NE-OD1 3.11Å; R528-D617 IonicContact NH1-OD1 2.71Å; R528-D617 PolarHBondContact NH1-OD1 3.27Å; R528-D617 IonicContact NH1-OD2 3.1Å; R528-D617 PolarHBondContact NH1-OD2 3.39Å; R528-D617 IonicContact NH2-OD2 3.18Å
529L92Very high90.8Very high50 Ų5034.6 Ų34.626%0.26217%0.169SC..Hα-helixtrans-73.6-31.4179.4-175.362000112.8V485 K488 H525 L526 L527V485-L529 HydrophobicContact CB-CD2 4.13Å; V485-L529 HydrophobicContact CG1-CD2 3.9Å; V485-L529 HydrophobicContact CG2-CD2 3.93Å; K488-L529 HydrophobicContact CB-CD2 4.46Å; K488-L529 HydrophobicContact CD-CD1 4.05Å; H525-L529 WeakPolarHBondContact O-CB 3.33Å; H525-L529 PolarHBondContact O-N 3.01Å; L526-L529 PolarHBondContact O-N 3.14Å; L527-L529 PolarHBondContact O-N 3.33Å
530F92.4Very high89.7Confident22 Ų2240.6 Ų40.610%0.09620%0.201CC..  trans-123.389.7-175.3-60.9-71000111.3L484 K488 I496 L526 L527 R532 C533L484-F530 HydrophobicContact CB-CE2 4.49Å; L484-F530 WeakPolarHBondContact O-CZ 3.42Å; K488-F530 HydrophobicContact CB-CE1 3.73Å; K488-F530 HydrophobicContact CB-CZ 3.69Å; I496-F530 HydrophobicContact CD1-CD1 3.48Å; I496-F530 VanDerWaalsContact CD1-CD1 3.48Å; I496-F530 HydrophobicContact CD1-CD2 4.2Å; I496-F530 HydrophobicContact CD1-CE1 3.46Å; I496-F530 VanDerWaalsContact CD1-CE1 3.46Å; I496-F530 HydrophobicContact CD1-CE2 4.2Å; I496-F530 HydrophobicContact CD1-CG 3.86Å; I496-F530 HydrophobicContact CD1-CZ 3.83Å; I496-F530 HydrophobicContact CG1-CD1 4.43Å; I496-F530 HydrophobicContact CG1-CD2 4.31Å; I496-F530 HydrophobicContact CG1-CE1 4.32Å; I496-F530 HydrophobicContact CG1-CE2 4.22Å; I496-F530 HydrophobicContact CG1-CG 4.41Å; I496-F530 HydrophobicContact CG1-CZ 4.22Å; I496-F530 HydrophobicContact CG2-CB 3.89Å; I496-F530 HydrophobicContact CG2-CD2 3.56Å; I496-F530 HydrophobicContact CG2-CE2 4.18Å; I496-F530 HydrophobicContact CG2-CG 3.75Å; L526-F530 HydrophobicContact CD2-CD2 4.43Å; L526-F530 HydrophobicContact CD2-CE2 4.09Å; L526-F530 WeakPolarHBondContact O-CB 3.27Å; L526-F530 WeakPolarHBondContact O-CD2 3.28Å; L526-F530 PolarHBondContact O-N 3.25Å; L527-F530 CarbonylContact O-C 3.6Å; L527-F530 PolarHBondContact O-N 3.04Å; F530-R532 PolarHBondContact O-N 2.78Å; F530-C533 WeakPolarHBondContact O-CB 3.11Å; F530-C533 PolarHBondContact O-N 2.99Å; F530-C533 PolarHBondContact O-SG 2.96Å
531P85.9Confident88.3Confident49 Ų4943.6 Ų43.632%0.31822%0.22SC..G310 helixtrans-57-27.8-175.1-26.834000115.1C533 E534 I597P531-C533 PolarHBondContact O-N 3.04Å; P531-E534 WeakPolarHBondContact O-CB 3.47Å; P531-E534 PolarHBondContact O-N 3Å; P531-I597 HydrophobicContact CB-CB 4.49Å; P531-I597 HydrophobicContact CB-CD1 3.45Å; P531-I597 VanDerWaalsContact CB-CD1 3.45Å; P531-I597 HydrophobicContact CB-CG1 3.76Å; P531-I597 HydrophobicContact CB-CG2 3.9Å; P531-I597 HydrophobicContact CG-CD1 4.39Å; P531-I597 HydrophobicContact CG-CG2 3.94Å
532R87.5Confident86.7Confident161 Ų16152.6 Ų52.661%0.60826%0.262SS*.G310 helixtrans-60.3-10.8174.8-65.3-175.1179176-3.6114.1T493 F530 E534T493-R532 HydrophobicContact CG2-CB 3.77Å; T493-R532 HydrophobicContact CG2-CG 4.37Å; T493-R532 WeakPolarHBondContact OG1-CD 3.36Å; T493-R532 PolarHBondContact OG1-NH1 3.45Å; F530-R532 PolarHBondContact O-N 2.78Å; R532-E534 PolarHBondContact O-N 3.24Å
533C89.3Confident85.2Confident1 Ų156.5 Ų56.51%0.00728%0.283CS..G310 helixtrans-69.7-8.2172.1-59.70000113.6L497 L527 F530 P531 I535 L536L497-C533 HydrophobicContact CD2-CB 4.28Å; L527-C533 HydrophobicContact CD2-CB 3.36Å; F530-C533 WeakPolarHBondContact O-CB 3.11Å; F530-C533 PolarHBondContact O-N 2.99Å; F530-C533 PolarHBondContact O-SG 2.96Å; P531-C533 PolarHBondContact O-N 3.04Å; C533-I535 PolarHBondContact O-N 3.36Å; C533-L536 HydrophobicContact CB-CD1 4.43Å; C533-L536 WeakPolarHBondContact O-CB 3.25Å; C533-L536 PolarHBondContact O-N 3.17Å
534E88.5Confident83.4Confident66 Ų6663.2 Ų63.231%0.30833%0.328SS..G310 helixtrans-53.8-31.7172.770.5-169.4167.400112.9P531 R532 L536 F537 V592P531-E534 WeakPolarHBondContact O-CB 3.47Å; P531-E534 PolarHBondContact O-N 3Å; R532-E534 PolarHBondContact O-N 3.24Å; E534-L536 PolarHBondContact O-N 3.26Å; E534-F537 WeakPolarHBondContact O-CB 3.37Å; E534-F537 PolarHBondContact O-N 3.02Å; E534-V592 HydrophobicContact CB-CG1 3.66Å; E534-V592 WeakPolarHBondContact OE2-CG1 3.27Å
535I88.8Confident82.4Confident73 Ų7364.8 Ų64.837%0.37434%0.339SS..G310 helixtrans-55.9-28.1176.4-58.6169.5000111.6C533 F537 D538 A560C533-I535 PolarHBondContact O-N 3.36Å; I535-F537 PolarHBondContact O-N 3.1Å; I535-D538 PolarHBondContact O-N 3.47Å; I535-A560 HydrophobicContact CG2-CB 3.97Å
536L89.8Confident81.8Confident0 Ų070 Ų700%037%0.368CS..G310 helixtrans-75.8-6.8179.2-59.2175.5000114.1L497 C533 E534 P559 C563 L564L497-L536 HydrophobicContact CB-CD2 4.41Å; L497-L536 HydrophobicContact CD2-CD1 3.87Å; L497-L536 HydrophobicContact CD2-CD2 4.13Å; L497-L536 HydrophobicContact CD2-CG 3.76Å; C533-L536 HydrophobicContact CB-CD1 4.43Å; C533-L536 WeakPolarHBondContact O-CB 3.25Å; C533-L536 PolarHBondContact O-N 3.17Å; E534-L536 PolarHBondContact O-N 3.26Å; L536-P559 WeakPolarHBondContact CD2-O 3.38Å; L536-C563 CarbonylContact O-C 3.59Å; L536-C563 WeakPolarHBondContact O-CA 3.43Å; L536-C563 WeakPolarHBondContact O-CB 3.26Å; L536-L564 HydrophobicContact CB-CD1 3.8Å; L536-L564 HydrophobicContact CB-CG 3.85Å; L536-L564 HydrophobicContact CD1-CD1 4.16Å; L536-L564 HydrophobicContact CD1-CD2 4.48Å; L536-L564 HydrophobicContact CD1-CG 4.37Å; L536-L564 PolarHBondContact O-N 2.83Å
537F88.7Confident81.2Confident29 Ų2972.6 Ų72.613%0.12738%0.378CS..G310 helixtrans-100.8-11.2174-67.8-88.4000112.5L527 E534 I535 L564 L567 I585 M586 W588L527-F537 HydrophobicContact CD1-CE2 4.05Å; L527-F537 HydrophobicContact CD1-CZ 3.89Å; L527-F537 HydrophobicContact CD2-CE2 4.16Å; E534-F537 WeakPolarHBondContact O-CB 3.37Å; E534-F537 PolarHBondContact O-N 3.02Å; I535-F537 PolarHBondContact O-N 3.1Å; F537-L564 HydrophobicContact CE2-CD1 4.02Å; F537-L564 HydrophobicContact CZ-CD1 3.96Å; F537-L567 HydrophobicContact CE1-CD1 3.98Å; F537-L567 HydrophobicContact CZ-CD1 4.27Å; F537-I585 HydrophobicContact CZ-CG2 4.06Å; F537-M586 HydrophobicContact CD1-SD 4.43Å; F537-M586 HydrophobicContact CE1-SD 4.13Å; F537-W588 HydrophobicContact CD2-CZ3 4.42Å; F537-W588 HydrophobicContact CE2-CE3 4.04Å; F537-W588 AromaticContact CE2-CZ3 3.71Å; F537-W588 HydrophobicContact CE2-CZ3 3.71Å; F537-W588 HydrophobicContact CZ-CE3 4.22Å; F537-W588 HydrophobicContact CZ-CZ3 4.34Å
538D83.3Confident80.8Confident81 Ų8177.4 Ų77.443%0.43340%0.399SS..  trans-76.5132.8176.5-162.6-12.3000110.9I535 D540 C563I535-D538 PolarHBondContact O-N 3.47Å; D538-D540 PolarHBondContact OD1-N 3.2Å; D538-D540 VanDerWaalsContact OD1-N 3.09Å; D538-C563 PolarHBondContact O-SG 3.4Å
539C73.9Confident80.3Confident78 Ų7876.4 Ų76.453%0.52740%0.403SS..SBendtrans-83.9-21.8179.4-67.20000112.8P541C539-P541 VanDerWaalsContact O-CD 3.24Å; C539-P541 WeakPolarHBondContact O-CD 3.04Å
540D72.2Confident79.6Confident130 Ų13079.2 Ų79.270%0.69542%0.418SS*.SBendtrans-111.188-177.2-72.5-31.9000109.9D538 E542D538-D540 PolarHBondContact OD1-N 3.2Å; D538-D540 VanDerWaalsContact OD1-N 3.09Å; D540-E542 PolarHBondContact O-N 3.47Å
541P65.6Low79.4Confident63 Ų6379.9 Ų79.941%0.40942%0.424SS..  trans-66.5122.6179.127.2-33.4000110.4C539 I543C539-P541 VanDerWaalsContact O-CD 3.24Å; C539-P541 WeakPolarHBondContact O-CD 3.04Å; P541-I543 PolarHBondContact O-N 3.25Å
542E63Low79.4Confident192 Ų19279.9 Ų79.990%0.89742%0.421SS*.SBendtrans-61.6-22.7173.2-63.3-176.2165.200112.4D540D540-E542 PolarHBondContact O-N 3.47Å
543I63.6Low79.5Confident91 Ų9174.4 Ų74.447%0.46740%0.404SS..SBendtrans-88.2117.8-172.8-54.3175.3000110.4P541 S545 A560P541-I543 PolarHBondContact O-N 3.25Å; I543-S545 WeakPolarHBondContact CG2-OG 3.26Å; I543-S545 PolarHBondContact O-N 3.44Å; I543-A560 HydrophobicContact CD1-CB 3.8Å
544C59.5Low79.5Confident141 Ų14174.3 Ų74.395%0.95340%0.404SS*.  trans-69.23.5-173-151.40000115.9
545S74.8Confident79.6Confident33 Ų3374.9 Ų74.923%0.23141%0.406CS..SBendtrans-94.3149.6178.158.10000112I543 F558 S561I543-S545 WeakPolarHBondContact CG2-OG 3.26Å; I543-S545 PolarHBondContact O-N 3.44Å; S545-F558 WeakPolarHBondContact OG-CD1 3.47Å; S545-F558 WeakPolarHBondContact OG-CG 3.43Å; S545-S561 WeakPolarHBondContact O-CB 3.47Å; S545-S561 PolarHBondContact O-OG 2.76Å; S545-S561 PolarHBondContact OG-OG 2.86Å
546N80.8Confident79.6Confident139 Ų13976.2 Ų76.274%0.74341%0.414SS*.PPolyproline II helixtrans-84.5139.4173.4-64.4-24.2000111.2K548N546-K548 PolarHBondContact O-N 2.86Å
547Y82.8Confident79.4Confident54 Ų5476.2 Ų76.221%0.21241%0.414CS..PPolyproline II helixtrans-61.2128172.4173.8-117.2000110.8K501 C557 F558 P559 A562K501-Y547 HydrophobicContact CG-CE1 4.42Å; Y547-C557 WeakPolarHBondContact CD2-O 3.33Å; Y547-C557 HydrophobicContact CE2-CB 4.05Å; Y547-F558 WeakPolarHBondContact CD2-O 3.37Å; Y547-P559 HydrophobicContact CE2-CB 4.41Å; Y547-A562 HydrophobicContact CD1-CB 3.85Å; Y547-A562 HydrophobicContact CD2-CB 4.49Å; Y547-A562 HydrophobicContact CG-CB 3.74Å
548K85Confident79.4Confident101 Ų10178.8 Ų78.844%0.43943%0.425SS..  trans-104.894.4179.3-60.5-177.2-178178.80109.9N546 D550 V551 C557N546-K548 PolarHBondContact O-N 2.86Å; K548-D550 VanDerWaalsContact C-N 3.32Å; K548-D550 PolarHBondContact O-N 3.48Å; K548-V551 HydrophobicContact CB-CB 4.14Å; K548-V551 HydrophobicContact CB-CG2 3.61Å; K548-V551 HydrophobicContact CD-CG2 3.88Å; K548-V551 HydrophobicContact CG-CG2 4.4Å; K548-C557 PolarHBondContact N-O 3.09Å; K548-C557 WeakPolarHBondContact O-CB 3.44Å
549S79.5Confident79.5Confident51 Ų5175 Ų7536%0.35741%0.405SS..SBendtrans-68.6-32.1-175.662.30000113.1V398 R502V398-S549 WeakPolarHBondContact CG1-O 3.38Å; R502-S549 PolarHBondContact NH2-O 3.32Å
550D78Confident80.1Confident108 Ų10871.8 Ų71.858%0.57838%0.383SS*.SBendtrans-71.1-24.6-179.461-39000113.9K548 N552K548-D550 VanDerWaalsContact C-N 3.32Å; K548-D550 PolarHBondContact O-N 3.48Å; D550-N552 PolarHBondContact O-N 3.44Å
551V86.5Confident80.8Confident37 Ų3766.5 Ų66.522%0.22436%0.357CS..  trans-71.1120.8-179.1173.70000110.9Y389 R502 K548 D553 L556 C557Y389-V551 WeakPolarHBondContact CE1-O 3.43Å; R502-V551 PolarHBondContact NH2-O 2.85Å; K548-V551 HydrophobicContact CB-CB 4.14Å; K548-V551 HydrophobicContact CB-CG2 3.61Å; K548-V551 HydrophobicContact CD-CG2 3.88Å; K548-V551 HydrophobicContact CG-CG2 4.4Å; V551-D553 VanDerWaalsContact C-N 3.28Å; V551-D553 HydrophobicContact CG1-CB 4.12Å; V551-D553 PolarHBondContact O-N 3.37Å; V551-L556 HydrophobicContact CG1-CB 4.03Å; V551-C557 HydrophobicContact CB-CB 4.42Å
552N86Confident81.6Confident48 Ų4864.5 Ų64.526%0.25735%0.346SS..  trans-85.46.7-179-75.7-40.1000115.2T390 C399 R502 D550T390-N552 WeakPolarHBondContact OG1-CB 3.04Å; C399-N552 PolarHBondContact SG-OD1 2.88Å; R502-N552 PolarHBondContact NH1-OD1 3.37Å; R502-N552 VanDerWaalsContact NH1-OD1 3.14Å; R502-N552 PolarHBondContact NH2-OD1 2.85Å; D550-N552 PolarHBondContact O-N 3.44Å
553D89.7Confident82.8Confident46 Ų4656 Ų5625%0.24631%0.307CS..  trans-100.7114.3169.6-168.7-33.6000109.4V551 E555 L556 C557V551-D553 VanDerWaalsContact C-N 3.28Å; V551-D553 HydrophobicContact CG1-CB 4.12Å; V551-D553 PolarHBondContact O-N 3.37Å; D553-E555 PolarHBondContact O-N 3.1Å; D553-E555 WeakPolarHBondContact OD1-CB 3.23Å; D553-E555 PolarHBondContact OD1-N 3.29Å; D553-L556 HydrophobicContact CB-CB 4.18Å; D553-L556 HydrophobicContact CB-CD1 4.15Å; D553-L556 HydrophobicContact CB-CG 4.21Å; D553-L556 PolarHBondContact O-N 3.08Å; D553-L556 VanDerWaalsContact O-N 3.16Å; D553-C557 PolarHBondContact O-N 3.38Å
554P90.7Very high84Confident0 Ų051.9 Ų51.90%029%0.286CS..THydrogen-bonded Turntrans-65.4-14.3-179.428.5-34.9000113.7N386 Y389 R495 A498 F499N386-P554 WeakPolarHBondContact OD1-CD 3.45Å; Y389-P554 HydrophobicContact CD1-CB 4.01Å; Y389-P554 HydrophobicContact CD1-CG 4.38Å; Y389-P554 HydrophobicContact CD2-CB 4.01Å; Y389-P554 HydrophobicContact CE1-CB 4.11Å; Y389-P554 HydrophobicContact CE2-CB 4.13Å; Y389-P554 HydrophobicContact CG-CB 3.97Å; Y389-P554 HydrophobicContact CG-CG 4.29Å; R495-P554 HydrophobicContact CG-CB 4.23Å; R495-P554 HydrophobicContact CG-CG 4.06Å; A498-P554 HydrophobicContact CB-CB 3.68Å; A498-P554 WeakPolarHBondContact CB-O 3.17Å; F499-P554 HydrophobicContact CE2-CB 4.48Å; F499-P554 HydrophobicContact CE2-CG 4.43Å
555E88.8Confident85.2Confident78 Ų7852.1 Ų52.136%0.36427%0.267SS..THydrogen-bonded Turntrans-85.6-23.8175.1-64.2-167166.900113.3R495 D553R495-E555 HydrophobicContact CG-CG 3.88Å; R495-E555 IonicContact CZ-OE1 2.71Å; R495-E555 IonicContact NE-OE1 2.63Å; R495-E555 PolarHBondContact NE-OE1 3.18Å; R495-E555 IonicContact NH2-OE1 3.85Å; R495-E555 PolarHBondContact NH2-OE1 3.46Å; R495-E555 IonicContact NH2-OE2 3.32Å; D553-E555 PolarHBondContact O-N 3.1Å; D553-E555 WeakPolarHBondContact OD1-CB 3.23Å; D553-E555 PolarHBondContact OD1-N 3.29Å
556L88.7Confident85.9Confident101 Ų10151.5 Ų51.553%0.52926%0.261SS..THydrogen-bonded Turntrans-105.91.4-173.8-58178000113.6V551 D553 F558V551-L556 HydrophobicContact CG1-CB 4.03Å; D553-L556 HydrophobicContact CB-CB 4.18Å; D553-L556 HydrophobicContact CB-CD1 4.15Å; D553-L556 HydrophobicContact CB-CG 4.21Å; D553-L556 PolarHBondContact O-N 3.08Å; D553-L556 VanDerWaalsContact O-N 3.16Å; L556-F558 WeakPolarHBondContact O-CD2 3.27Å; L556-F558 WeakPolarHBondContact O-CE2 3.29Å
557C86.7Confident86.4Confident0 Ų044.9 Ų44.90%023%0.226CC..SBendtrans-84.4-9.8-177.171.10000114.5Y389 A498 Y547 K548 V551 D553Y389-C557 PolarHBondContact OH-SG 3.3Å; A498-C557 VanDerWaalsContact CB-SG 3.54Å; Y547-C557 WeakPolarHBondContact CD2-O 3.33Å; Y547-C557 HydrophobicContact CE2-CB 4.05Å; K548-C557 PolarHBondContact N-O 3.09Å; K548-C557 WeakPolarHBondContact O-CB 3.44Å; V551-C557 HydrophobicContact CB-CB 4.42Å; D553-C557 PolarHBondContact O-N 3.38Å
558F87.6Confident86.8Confident83 Ų8345.7 Ų45.736%0.36423%0.233SC..  trans53.458.3-176.1-54.4-76.8000114S545 Y547 L556 A560 S561S545-F558 WeakPolarHBondContact OG-CD1 3.47Å; S545-F558 WeakPolarHBondContact OG-CG 3.43Å; Y547-F558 WeakPolarHBondContact CD2-O 3.37Å; L556-F558 WeakPolarHBondContact O-CD2 3.27Å; L556-F558 WeakPolarHBondContact O-CE2 3.29Å; F558-A560 VanDerWaalsContact C-N 3.29Å; F558-A560 PolarHBondContact O-N 3.32Å; F558-S561 WeakPolarHBondContact O-CB 3.44Å; F558-S561 PolarHBondContact O-N 2.79Å
559P86.8Confident87Confident1 Ų145.9 Ų45.91%0.00624%0.239CC..G310 helixtrans-68.6-23.7-170.531.1-36.6000114.3N494 L497 A498 L536 Y547 S561 A562N494-P559 WeakPolarHBondContact O-CG 3.3Å; L497-P559 HydrophobicContact CB-CB 3.79Å; L497-P559 HydrophobicContact CB-CG 3.56Å; L497-P559 HydrophobicContact CD1-CG 4.46Å; A498-P559 HydrophobicContact CB-CB 4.05Å; A498-P559 HydrophobicContact CB-CG 4.04Å; L536-P559 WeakPolarHBondContact CD2-O 3.38Å; Y547-P559 HydrophobicContact CE2-CB 4.41Å; P559-S561 PolarHBondContact O-N 2.98Å; P559-A562 PolarHBondContact O-N 3Å
560A86.9Confident87.6Confident10 Ų1043.4 Ų43.48%0.08322%0.222CC..G310 helixtrans-66.6-18176.600000113.3L497 I535 I543 F558 A562L497-A560 HydrophobicContact CD1-CB 4.09Å; I535-A560 HydrophobicContact CG2-CB 3.97Å; I543-A560 HydrophobicContact CD1-CB 3.8Å; F558-A560 VanDerWaalsContact C-N 3.29Å; F558-A560 PolarHBondContact O-N 3.32Å; A560-A562 VanDerWaalsContact C-N 3.26Å; A560-A562 PolarHBondContact O-N 2.9Å
561S85Confident88.2Confident19 Ų1943.2 Ų43.213%0.13322%0.216CC..G310 helixtrans-81.30.1179.8-58.70000114S545 F558 P559S545-S561 WeakPolarHBondContact O-CB 3.47Å; S545-S561 PolarHBondContact O-OG 2.76Å; S545-S561 PolarHBondContact OG-OG 2.86Å; F558-S561 WeakPolarHBondContact O-CB 3.44Å; F558-S561 PolarHBondContact O-N 2.79Å; P559-S561 PolarHBondContact O-N 2.98Å
562A83.2Confident88.4Confident21 Ų2149.7 Ų49.717%0.17424%0.241CC..SBendtrans-137.2132.8-178.400000112.8Y547 P559 A560Y547-A562 HydrophobicContact CD1-CB 3.85Å; Y547-A562 HydrophobicContact CD2-CB 4.49Å; Y547-A562 HydrophobicContact CG-CB 3.74Å; P559-A562 PolarHBondContact O-N 3Å; A560-A562 VanDerWaalsContact C-N 3.26Å; A560-A562 PolarHBondContact O-N 2.9Å
563C87.4Confident88.6Confident13 Ų1349.7 Ų49.79%0.08824%0.239CC..  trans-82.3164.5-180-21.30000112.3K501 L536 D538 W565K501-C563 WeakPolarHBondContact CE-O 3.35Å; K501-C563 PolarHBondContact NZ-O 2.95Å; L536-C563 CarbonylContact O-C 3.59Å; L536-C563 WeakPolarHBondContact O-CA 3.43Å; L536-C563 WeakPolarHBondContact O-CB 3.26Å; D538-C563 PolarHBondContact O-SG 3.4Å; C563-W565 PolarHBondContact O-N 3.23Å; C563-W565 PolarHBondContact SG-NE1 3.48Å; C563-W565 VanDerWaalsContact SG-NE1 3.39Å
564L89.9Confident88.5Confident6 Ų653.2 Ų53.23%0.03127%0.267CS..  trans-77.452.8175.9-67.2166.2000113.7K501 A504 L527 L536 F537 D566 L567K501-L564 HydrophobicContact CD-CD2 3.9Å; A504-L564 HydrophobicContact CB-CD2 3.54Å; L527-L564 HydrophobicContact CD2-CD1 4.45Å; L536-L564 HydrophobicContact CB-CD1 3.8Å; L536-L564 HydrophobicContact CB-CG 3.85Å; L536-L564 HydrophobicContact CD1-CD1 4.16Å; L536-L564 HydrophobicContact CD1-CD2 4.48Å; L536-L564 HydrophobicContact CD1-CG 4.37Å; L536-L564 PolarHBondContact O-N 2.83Å; F537-L564 HydrophobicContact CE2-CD1 4.02Å; F537-L564 HydrophobicContact CZ-CD1 3.96Å; L564-D566 PolarHBondContact O-N 3.35Å; L564-L567 HydrophobicContact CB-CD1 3.81Å; L564-L567 HydrophobicContact CB-CG 4.16Å; L564-L567 HydrophobicContact CD1-CD1 4.2Å; L564-L567 WeakPolarHBondContact O-CB 3.44Å; L564-L567 PolarHBondContact O-N 3.3Å
565W84.9Confident88.5Confident145 Ų14554.2 Ų54.255%0.54927%0.272SS..THydrogen-bonded Turntrans-54.1-24.8176.9-67.9101.4000114C563 L567 L568C563-W565 PolarHBondContact O-N 3.23Å; C563-W565 PolarHBondContact SG-NE1 3.48Å; C563-W565 VanDerWaalsContact SG-NE1 3.39Å; W565-L567 PolarHBondContact O-N 3.3Å; W565-L568 HydrophobicContact CE3-CD1 3.37Å; W565-L568 HydrophobicContact CE3-CG 4.4Å; W565-L568 HydrophobicContact CZ3-CD1 3.47Å; W565-L568 VanDerWaalsContact CZ3-CD1 3.47Å; W565-L568 WeakPolarHBondContact O-CB 3.2Å; W565-L568 PolarHBondContact O-N 2.94Å; W565-L568 VanDerWaalsContact O-N 3.08Å
566D89.8Confident88.6Confident21 Ų2154.1 Ų54.111%0.11228%0.279CS..Hα-helixtrans-56-33.7175.9-48.3-90.9000112.3K501 A504 S505 L508 L564 L568 L569 L570K501-D566 IonicContact NZ-OD2 3.96Å; K501-D566 PolarHBondContact NZ-OD2 3.22Å; A504-D566 HydrophobicContact CB-CB 4.23Å; S505-D566 WeakPolarHBondContact CA-OD1 3.24Å; S505-D566 PolarHBondContact OG-OD1 2.96Å; S505-D566 PolarHBondContact OG-OD2 3.37Å; L508-D566 HydrophobicContact CB-CB 4.34Å; L508-D566 HydrophobicContact CD2-CB 4.05Å; L564-D566 PolarHBondContact O-N 3.35Å; D566-L568 VanDerWaalsContact C-N 3.28Å; D566-L568 PolarHBondContact O-N 3.39Å; D566-L569 PolarHBondContact O-N 3.37Å; D566-L570 WeakPolarHBondContact O-CG 3.42Å; D566-L570 PolarHBondContact O-N 3.31Å
567L91.5Very high88.8Confident0 Ų049.3 Ų49.30%025%0.254CS..Hα-helixtrans-65.4-29.6179.1-65.7174.3000112.7L520 L523 F537 L564 W565 L569 L570 K571 I585 M586L520-L567 HydrophobicContact CD2-CD2 3.98Å; L523-L567 HydrophobicContact CD2-CD2 4.19Å; F537-L567 HydrophobicContact CE1-CD1 3.98Å; F537-L567 HydrophobicContact CZ-CD1 4.27Å; L564-L567 HydrophobicContact CB-CD1 3.81Å; L564-L567 HydrophobicContact CB-CG 4.16Å; L564-L567 HydrophobicContact CD1-CD1 4.2Å; L564-L567 WeakPolarHBondContact O-CB 3.44Å; L564-L567 PolarHBondContact O-N 3.3Å; W565-L567 PolarHBondContact O-N 3.3Å; L567-L569 VanDerWaalsContact C-N 3.31Å; L567-L569 PolarHBondContact O-N 3.45Å; L567-L570 HydrophobicContact CD2-CD1 4.31Å; L567-L570 PolarHBondContact O-N 2.75Å; L567-K571 WeakPolarHBondContact O-CB 3.13Å; L567-K571 PolarHBondContact O-N 2.92Å; L567-I585 HydrophobicContact CD1-CB 4.43Å; L567-I585 HydrophobicContact CD1-CG2 3.6Å; L567-I585 HydrophobicContact CD2-CB 4.44Å; L567-I585 HydrophobicContact CD2-CD1 4.37Å; L567-I585 HydrophobicContact CD2-CG2 4.16Å; L567-M586 HydrophobicContact CB-CG 3.99Å; L567-M586 HydrophobicContact CB-SD 3.74Å; L567-M586 HydrophobicContact CD1-CG 4.26Å; L567-M586 HydrophobicContact CD1-SD 3.8Å; L567-M586 HydrophobicContact CG-SD 4.45Å
568L91.1Very high89.1Confident70 Ų7049.3 Ų49.337%0.36625%0.254SS..Hα-helixtrans-69.2-32.1177.5-63.3-173.9000112.3W565 D566 M586W565-L568 HydrophobicContact CE3-CD1 3.37Å; W565-L568 HydrophobicContact CE3-CG 4.4Å; W565-L568 HydrophobicContact CZ3-CD1 3.47Å; W565-L568 VanDerWaalsContact CZ3-CD1 3.47Å; W565-L568 WeakPolarHBondContact O-CB 3.2Å; W565-L568 PolarHBondContact O-N 2.94Å; W565-L568 VanDerWaalsContact O-N 3.08Å; D566-L568 VanDerWaalsContact C-N 3.28Å; D566-L568 PolarHBondContact O-N 3.39Å; L568-M586 HydrophobicContact CD2-CE 3.77Å
569L88.6Confident89.4Confident105 Ų10547.6 Ų47.655%0.5525%0.248SC..Hα-helixtrans-76.9-41.6174.5-67174.9000110.6L508 D566 L567 K571 K572 H573L508-L569 HydrophobicContact CD1-CB 3.77Å; L508-L569 HydrophobicContact CD1-CD1 4.47Å; L508-L569 HydrophobicContact CD2-CB 4.34Å; L508-L569 HydrophobicContact CD2-CD1 3.8Å; D566-L569 PolarHBondContact O-N 3.37Å; L567-L569 VanDerWaalsContact C-N 3.31Å; L567-L569 PolarHBondContact O-N 3.45Å; L569-K571 VanDerWaalsContact C-N 3.26Å; L569-K571 PolarHBondContact O-N 3.16Å; L569-K572 CarbonylContact O-C 3.45Å; L569-K572 WeakPolarHBondContact O-CA 3.43Å; L569-K572 PolarHBondContact O-N 2.99Å; L569-H573 PolarHBondContact O-N 3.1Å
570L91.7Very high89.7Confident0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-63.1-30.4175.1-72.8164.8000112.9A507 L508 L520 D566 L567 K572 H573 V578 A582A507-L570 HydrophobicContact CB-CD1 4.41Å; L508-L570 HydrophobicContact CB-CD1 4.4Å; L508-L570 HydrophobicContact CB-CD2 4.43Å; L508-L570 HydrophobicContact CB-CG 4.3Å; L508-L570 HydrophobicContact CD1-CD2 4.18Å; L508-L570 HydrophobicContact CD1-CG 4.04Å; L520-L570 HydrophobicContact CD1-CD1 4.19Å; L520-L570 HydrophobicContact CD2-CD1 3.7Å; L520-L570 HydrophobicContact CG-CD1 4.41Å; D566-L570 WeakPolarHBondContact O-CG 3.42Å; D566-L570 PolarHBondContact O-N 3.31Å; L567-L570 HydrophobicContact CD2-CD1 4.31Å; L567-L570 PolarHBondContact O-N 2.75Å; L570-K572 PolarHBondContact O-N 3.45Å; L570-H573 WeakPolarHBondContact O-CB 3.42Å; L570-H573 PolarHBondContact O-N 3.35Å; L570-V578 HydrophobicContact CD2-CG1 3.67Å; L570-A582 HydrophobicContact CB-CB 3.67Å
571K91.4Very high90.1Very high104 Ų10448.9 Ų48.945%0.45225%0.253SS..THydrogen-bonded Turntrans-61.2-20.4169.7174.5173.1-179.2173.40113.5L567 L569 N579 N583L567-K571 WeakPolarHBondContact O-CB 3.13Å; L567-K571 PolarHBondContact O-N 2.92Å; L569-K571 VanDerWaalsContact C-N 3.26Å; L569-K571 PolarHBondContact O-N 3.16Å; K571-N579 PolarHBondContact O-ND2 3.46Å; K571-N579 PolarHBondContact O-OD1 2.74Å; K571-N583 WeakPolarHBondContact CD-OD1 3.3Å; K571-N583 WeakPolarHBondContact CE-OD1 3.29Å; K571-N583 VanDerWaalsContact CG-OD1 3.26Å; K571-N583 WeakPolarHBondContact CG-OD1 3.26Å
572K90.7Very high90.7Very high173 Ų17348 Ų4875%0.75225%0.246SC*.THydrogen-bonded Turntrans-103.210175.5-60.3-178.8-176.8178.10112.2L569 L570L569-K572 CarbonylContact O-C 3.45Å; L569-K572 WeakPolarHBondContact O-CA 3.43Å; L569-K572 PolarHBondContact O-N 2.99Å; L570-K572 PolarHBondContact O-N 3.45Å
573H89.8Confident91.2Very high48 Ų4848.8 Ų48.822%0.22225%0.247CC..  trans-62.3145.2178.7-164.9-92.3000110.6L569 L570 D575 V578 N579L569-H573 PolarHBondContact O-N 3.1Å; L570-H573 WeakPolarHBondContact O-CB 3.42Å; L570-H573 PolarHBondContact O-N 3.35Å; H573-D575 VanDerWaalsContact C-N 3.33Å; H573-D575 VanDerWaalsContact ND1-CB 3.34Å; H573-D575 WeakPolarHBondContact ND1-CB 3.48Å; H573-D575 PolarHBondContact ND1-N 3.37Å; H573-D575 VanDerWaalsContact ND1-N 3.13Å; H573-V578 HydrophobicContact CB-CB 4.23Å; H573-V578 HydrophobicContact CB-CG1 3.81Å; H573-N579 PolarHBondContact O-ND2 3.07Å
574S88.3Confident91.6Very high119 Ų11948.6 Ų48.683%0.83225%0.246SC*.SBendtrans-68.9-32.5-176.753.70000112.7
575D90.3Very high91.8Very high21 Ų2148.3 Ų48.311%0.11224%0.244CC..SBendtrans-75.5127.2175.1-179.3-90.4000111.1P513 H573 V577 V578 N579P513-D575 HydrophobicContact CB-CB 3.96Å; H573-D575 VanDerWaalsContact C-N 3.33Å; H573-D575 VanDerWaalsContact ND1-CB 3.34Å; H573-D575 WeakPolarHBondContact ND1-CB 3.48Å; H573-D575 PolarHBondContact ND1-N 3.37Å; H573-D575 VanDerWaalsContact ND1-N 3.13Å; D575-V577 VanDerWaalsContact C-N 3.32Å; D575-V577 PolarHBondContact O-N 3.02Å; D575-V577 WeakPolarHBondContact OD1-CA 3.47Å; D575-V577 WeakPolarHBondContact OD1-CB 3.33Å; D575-V577 PolarHBondContact OD1-N 3.18Å; D575-V578 HydrophobicContact CB-CB 4.38Å; D575-V578 HydrophobicContact CB-CG2 4.22Å; D575-V578 PolarHBondContact OD1-N 2.66Å; D575-N579 VanDerWaalsContact O-CB 3.3Å; D575-N579 WeakPolarHBondContact O-CB 3.36Å; D575-N579 PolarHBondContact O-N 3.16Å; D575-N579 VanDerWaalsContact O-N 3.08Å
576P90.1Very high92.2Very high77 Ų7743.4 Ų43.450%0.523%0.228SC..Hα-helixtrans-67.8-29.3-176.127.5-34.8000113.1Q580P576-Q580 VanDerWaalsContact O-CB 3.27Å; P576-Q580 WeakPolarHBondContact O-CB 3.41Å; P576-Q580 PolarHBondContact O-N 3.4Å
577V92.5Very high92.3Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-66.8-53179-171.70000109.5D575 N579 Q580 L581 L607 I609 L631 L634 I635D575-V577 VanDerWaalsContact C-N 3.32Å; D575-V577 PolarHBondContact O-N 3.02Å; D575-V577 WeakPolarHBondContact OD1-CA 3.47Å; D575-V577 WeakPolarHBondContact OD1-CB 3.33Å; D575-V577 PolarHBondContact OD1-N 3.18Å; V577-N579 VanDerWaalsContact C-N 3.31Å; V577-N579 PolarHBondContact O-N 3.22Å; V577-Q580 PolarHBondContact O-N 3.33Å; V577-L581 HydrophobicContact CG1-CD1 4.09Å; V577-L581 WeakPolarHBondContact O-CB 3.16Å; V577-L581 VanDerWaalsContact O-CG 3.3Å; V577-L581 WeakPolarHBondContact O-CG 3.38Å; V577-L581 PolarHBondContact O-N 3.23Å; V577-L607 HydrophobicContact CG1-CD1 4.04Å; V577-I609 HydrophobicContact CB-CD1 3.73Å; V577-I609 HydrophobicContact CG1-CD1 3.94Å; V577-I609 HydrophobicContact CG2-CD1 3.32Å; V577-L631 HydrophobicContact CG1-CD2 4.23Å; V577-L634 HydrophobicContact CG2-CB 4.17Å; V577-I635 HydrophobicContact CB-CG1 4.48Å; V577-I635 HydrophobicContact CG2-CG1 3.8Å
578V93.2Very high92.3Very high0 Ų047.2 Ų47.20%025%0.245CC..Hα-helixtrans-60-44.1178.31770000110.8P513 S517 L520 L570 H573 D575 Q580 L581 A582P513-V578 HydrophobicContact CB-CG2 4.21Å; S517-V578 WeakPolarHBondContact OG-CG2 3.39Å; L520-V578 HydrophobicContact CD1-CG1 3.92Å; L570-V578 HydrophobicContact CD2-CG1 3.67Å; H573-V578 HydrophobicContact CB-CB 4.23Å; H573-V578 HydrophobicContact CB-CG1 3.81Å; D575-V578 HydrophobicContact CB-CB 4.38Å; D575-V578 HydrophobicContact CB-CG2 4.22Å; D575-V578 PolarHBondContact OD1-N 2.66Å; V578-Q580 PolarHBondContact O-N 2.68Å; V578-L581 PolarHBondContact O-N 3.22Å; V578-A582 WeakPolarHBondContact O-CB 3.25Å; V578-A582 PolarHBondContact O-N 2.95Å
579N94.2Very high92.3Very high46 Ų4643.9 Ų43.925%0.24623%0.227CC..Hα-helixtrans-56.8-49.5177-172.3-52.5000111.7K571 H573 D575 V577 A582 N583K571-N579 PolarHBondContact O-ND2 3.46Å; K571-N579 PolarHBondContact O-OD1 2.74Å; H573-N579 PolarHBondContact O-ND2 3.07Å; D575-N579 VanDerWaalsContact O-CB 3.3Å; D575-N579 WeakPolarHBondContact O-CB 3.36Å; D575-N579 PolarHBondContact O-N 3.16Å; D575-N579 VanDerWaalsContact O-N 3.08Å; V577-N579 VanDerWaalsContact C-N 3.31Å; V577-N579 PolarHBondContact O-N 3.22Å; N579-A582 PolarHBondContact O-N 2.57Å; N579-N583 PolarHBondContact O-N 2.95Å; N579-N583 PolarHBondContact O-ND2 3.33Å; N579-N583 PolarHBondContact OD1-ND2 3.29Å
580Q93.9Very high92.4Very high39 Ų3943.3 Ų43.318%0.18223%0.225CC..Hα-helixtrans-69.8-39.8-178.7-171167.14000112.5P576 V577 V578 A582 N583 L584 H608P576-Q580 VanDerWaalsContact O-CB 3.27Å; P576-Q580 WeakPolarHBondContact O-CB 3.41Å; P576-Q580 PolarHBondContact O-N 3.4Å; V577-Q580 PolarHBondContact O-N 3.33Å; V578-Q580 PolarHBondContact O-N 2.68Å; Q580-A582 VanDerWaalsContact C-N 3.33Å; Q580-A582 PolarHBondContact O-N 3.33Å; Q580-N583 WeakPolarHBondContact O-CB 3.42Å; Q580-N583 PolarHBondContact O-N 3.36Å; Q580-L584 HydrophobicContact CG-CD1 4.35Å; Q580-L584 HydrophobicContact CG-CG 4.45Å; Q580-L584 WeakPolarHBondContact O-CG 3.27Å; Q580-L584 PolarHBondContact O-N 2.96Å; Q580-H608 PolarHBondContact NE2-O 3.46Å; Q580-H608 VanDerWaalsContact OE1-C 3.22Å; Q580-H608 PolarHBondContact OE1-O 3.23Å
581L95.6Very high92.3Very high0 Ų045.2 Ų45.20%024%0.235CC..Hα-helixtrans-58.4-45.9173.8-74.3173.3000111.3L520 I521 V577 V578 N583 L584 I585 L607 L616L520-L581 HydrophobicContact CB-CB 4.36Å; L520-L581 HydrophobicContact CB-CD1 4.43Å; L520-L581 HydrophobicContact CD1-CB 4.16Å; I521-L581 HydrophobicContact CD1-CD1 4.35Å; I521-L581 HydrophobicContact CG1-CD1 4.15Å; I521-L581 HydrophobicContact CG1-CD2 4.04Å; V577-L581 HydrophobicContact CG1-CD1 4.09Å; V577-L581 WeakPolarHBondContact O-CB 3.16Å; V577-L581 VanDerWaalsContact O-CG 3.3Å; V577-L581 WeakPolarHBondContact O-CG 3.38Å; V577-L581 PolarHBondContact O-N 3.23Å; V578-L581 PolarHBondContact O-N 3.22Å; L581-N583 VanDerWaalsContact C-N 3.33Å; L581-N583 PolarHBondContact O-N 2.85Å; L581-L584 PolarHBondContact O-N 3.48Å; L581-I585 VanDerWaalsContact O-CG1 3.28Å; L581-I585 WeakPolarHBondContact O-CG1 3.25Å; L581-I585 PolarHBondContact O-N 3.01Å; L581-L607 HydrophobicContact CD2-CD1 3.65Å; L581-L607 HydrophobicContact CG-CD1 3.8Å; L581-L616 HydrophobicContact CD2-CD1 3.36Å; L581-L616 HydrophobicContact CD2-CD2 4.48Å
582A95.9Very high92.2Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-61.6-41.3176.100000112L570 V578 N579 Q580 I585 M586L570-A582 HydrophobicContact CB-CB 3.67Å; V578-A582 WeakPolarHBondContact O-CB 3.25Å; V578-A582 PolarHBondContact O-N 2.95Å; N579-A582 PolarHBondContact O-N 2.57Å; Q580-A582 VanDerWaalsContact C-N 3.33Å; Q580-A582 PolarHBondContact O-N 3.33Å; A582-I585 PolarHBondContact O-N 3.42Å; A582-M586 WeakPolarHBondContact O-CB 3.4Å; A582-M586 VanDerWaalsContact O-CG 3.28Å; A582-M586 WeakPolarHBondContact O-CG 3.48Å; A582-M586 PolarHBondContact O-N 2.64Å
583N95.3Very high92Very high37 Ų3735.6 Ų35.620%0.19820%0.201CC..Hα-helixtrans-62.4-43.1174.4-78.4-50.8000112.6K571 N579 Q580 L581 M586 Q587K571-N583 WeakPolarHBondContact CD-OD1 3.3Å; K571-N583 WeakPolarHBondContact CE-OD1 3.29Å; K571-N583 VanDerWaalsContact CG-OD1 3.26Å; K571-N583 WeakPolarHBondContact CG-OD1 3.26Å; N579-N583 PolarHBondContact O-N 2.95Å; N579-N583 PolarHBondContact O-ND2 3.33Å; N579-N583 PolarHBondContact OD1-ND2 3.29Å; Q580-N583 WeakPolarHBondContact O-CB 3.42Å; Q580-N583 PolarHBondContact O-N 3.36Å; L581-N583 VanDerWaalsContact C-N 3.33Å; L581-N583 PolarHBondContact O-N 2.85Å; N583-M586 PolarHBondContact O-N 3.48Å; N583-Q587 WeakPolarHBondContact O-CB 3.42Å; N583-Q587 VanDerWaalsContact O-CG 3.28Å; N583-Q587 WeakPolarHBondContact O-CG 3.17Å; N583-Q587 PolarHBondContact O-N 2.97Å
584L95Very high91.8Very high10 Ų1039.7 Ų39.75%0.05223%0.23CC..Hα-helixtrans-65.6-39.7178.5-70.8173.8000111.9Q580 L581 Q587 W588 L607 L616Q580-L584 HydrophobicContact CG-CD1 4.35Å; Q580-L584 HydrophobicContact CG-CG 4.45Å; Q580-L584 WeakPolarHBondContact O-CG 3.27Å; Q580-L584 PolarHBondContact O-N 2.96Å; L581-L584 PolarHBondContact O-N 3.48Å; L584-Q587 PolarHBondContact O-N 3.4Å; L584-W588 PolarHBondContact O-N 3.41Å; L584-L607 HydrophobicContact CD1-CB 4.15Å; L584-L616 HydrophobicContact CB-CD2 4.25Å; L584-L616 HydrophobicContact CD1-CD2 4.4Å
585I95Very high91.5Very high0 Ų036.2 Ų36.20%021%0.213CC..Hα-helixtrans-64.5-42175.4-66.3166.4000110.8L520 L523 F524 L527 F537 L567 L581 A582 W588 G589L520-I585 HydrophobicContact CB-CD1 4.02Å; L520-I585 HydrophobicContact CD2-CD1 3.97Å; L523-I585 HydrophobicContact CD2-CD1 4.44Å; F524-I585 HydrophobicContact CB-CD1 4.3Å; F524-I585 HydrophobicContact CB-CG1 4.01Å; F524-I585 HydrophobicContact CD2-CG1 4.04Å; F524-I585 HydrophobicContact CG-CG1 4.46Å; L527-I585 HydrophobicContact CD1-CG2 3.55Å; F537-I585 HydrophobicContact CZ-CG2 4.06Å; L567-I585 HydrophobicContact CD1-CB 4.43Å; L567-I585 HydrophobicContact CD1-CG2 3.6Å; L567-I585 HydrophobicContact CD2-CB 4.44Å; L567-I585 HydrophobicContact CD2-CD1 4.37Å; L567-I585 HydrophobicContact CD2-CG2 4.16Å; L581-I585 VanDerWaalsContact O-CG1 3.28Å; L581-I585 WeakPolarHBondContact O-CG1 3.25Å; L581-I585 PolarHBondContact O-N 3.01Å; A582-I585 PolarHBondContact O-N 3.42Å; I585-W588 PolarHBondContact O-N 2.9Å; I585-G589 PolarHBondContact O-N 3.21Å
586M92.7Very high91.1Very high41 Ų4136.7 Ų36.720%0.20222%0.222CC..Hα-helixtrans-65.6-39.2175.2-72.4-68.8-62.800112.3F537 L567 L568 A582 N583 G589 N590F537-M586 HydrophobicContact CD1-SD 4.43Å; F537-M586 HydrophobicContact CE1-SD 4.13Å; L567-M586 HydrophobicContact CB-CG 3.99Å; L567-M586 HydrophobicContact CB-SD 3.74Å; L567-M586 HydrophobicContact CD1-CG 4.26Å; L567-M586 HydrophobicContact CD1-SD 3.8Å; L567-M586 HydrophobicContact CG-SD 4.45Å; L568-M586 HydrophobicContact CD2-CE 3.77Å; A582-M586 WeakPolarHBondContact O-CB 3.4Å; A582-M586 VanDerWaalsContact O-CG 3.28Å; A582-M586 WeakPolarHBondContact O-CG 3.48Å; A582-M586 PolarHBondContact O-N 2.64Å; N583-M586 PolarHBondContact O-N 3.48Å; M586-G589 PolarHBondContact O-N 3.17Å; M586-N590 PolarHBondContact O-N 3.01Å
587Q91.9Very high90.5Very high98 Ų9836.5 Ų36.546%0.45822%0.217SC..Hα-helixtrans-61.4-46.5173.7-76.4174.35.100110.9N583 L584 G589 N590 D591 Y605N583-Q587 WeakPolarHBondContact O-CB 3.42Å; N583-Q587 VanDerWaalsContact O-CG 3.28Å; N583-Q587 WeakPolarHBondContact O-CG 3.17Å; N583-Q587 PolarHBondContact O-N 2.97Å; L584-Q587 PolarHBondContact O-N 3.4Å; Q587-G589 VanDerWaalsContact C-N 3.33Å; Q587-G589 PolarHBondContact O-N 3.28Å; Q587-N590 PolarHBondContact O-N 3.49Å; Q587-D591 WeakPolarHBondContact O-CB 3.38Å; Q587-D591 PolarHBondContact O-N 2.93Å; Q587-D591 VanDerWaalsContact O-OD2 3.07Å; Q587-Y605 HydrophobicContact CB-CE1 4.44Å
588W92.2Very high89.8Confident4 Ų439.3 Ų39.32%0.01525%0.246CC..Hα-helixtrans-56.7-47.1174.3177.391.3000111.5F524 L527 F537 L584 I585 N590 D591 V592 Y605F524-W588 HydrophobicContact CE2-CB 3.94Å; F524-W588 AromaticContact CE2-CD1 3.83Å; F524-W588 AromaticContact CE2-CG 3.85Å; F524-W588 HydrophobicContact CE2-CG 3.85Å; L527-W588 HydrophobicContact CB-CE3 4.05Å; L527-W588 HydrophobicContact CB-CH2 3.69Å; L527-W588 HydrophobicContact CB-CZ2 4.21Å; L527-W588 HydrophobicContact CB-CZ3 3.61Å; L527-W588 HydrophobicContact CD1-CE3 4.2Å; L527-W588 HydrophobicContact CD1-CZ3 4.16Å; L527-W588 HydrophobicContact CD2-CZ3 4.28Å; L527-W588 HydrophobicContact CG-CZ3 4.22Å; L527-W588 WeakPolarHBondContact O-CH2 3.46Å; L527-W588 VanDerWaalsContact O-CZ2 3.24Å; L527-W588 WeakPolarHBondContact O-CZ2 3.46Å; F537-W588 HydrophobicContact CD2-CZ3 4.42Å; F537-W588 HydrophobicContact CE2-CE3 4.04Å; F537-W588 AromaticContact CE2-CZ3 3.71Å; F537-W588 HydrophobicContact CE2-CZ3 3.71Å; F537-W588 HydrophobicContact CZ-CE3 4.22Å; F537-W588 HydrophobicContact CZ-CZ3 4.34Å; L584-W588 PolarHBondContact O-N 3.41Å; I585-W588 PolarHBondContact O-N 2.9Å; W588-N590 PolarHBondContact O-N 3.04Å; W588-D591 PolarHBondContact O-N 3.48Å; W588-V592 HydrophobicContact CD2-CG2 3.98Å; W588-V592 HydrophobicContact CE3-CG2 4.25Å; W588-V592 HydrophobicContact CH2-CG2 3.87Å; W588-V592 HydrophobicContact CZ2-CG2 3.61Å; W588-V592 HydrophobicContact CZ3-CG2 4.16Å; W588-V592 WeakPolarHBondContact O-CG2 3.43Å; W588-V592 PolarHBondContact O-N 2.85Å; W588-Y605 WeakPolarHBondContact CA-OH 3.25Å; W588-Y605 HydrophobicContact CB-CD1 4.33Å; W588-Y605 HydrophobicContact CB-CE1 3.72Å; W588-Y605 HydrophobicContact CB-CE2 4.39Å; W588-Y605 AromaticContact CD1-CE2 3.57Å; W588-Y605 AromaticContact CD1-CZ 3.56Å; W588-Y605 HydrophobicContact CG-CE2 4.39Å
589G90.7Very high89.2Confident0 Ų041.5 Ų41.50%026%0.263CS..Hα-helixtrans-57.3-48177.300000112.4I585 M586 Q587 D591 V592 C593I585-G589 PolarHBondContact O-N 3.21Å; M586-G589 PolarHBondContact O-N 3.17Å; Q587-G589 VanDerWaalsContact C-N 3.33Å; Q587-G589 PolarHBondContact O-N 3.28Å; G589-D591 PolarHBondContact O-N 2.83Å; G589-V592 PolarHBondContact O-N 2.7Å; G589-C593 PolarHBondContact O-N 3.02Å; G589-C593 PolarHBondContact O-SG 2.98Å
590N90.1Very high88.7Confident93 Ų9339.6 Ų39.650%0.49725%0.254SS..Hα-helixtrans-62-42.1176.8-70.7-16.7000112.6M586 Q587 W588 V592 C593 V594M586-N590 PolarHBondContact O-N 3.01Å; Q587-N590 PolarHBondContact O-N 3.49Å; W588-N590 PolarHBondContact O-N 3.04Å; N590-V592 VanDerWaalsContact C-N 3.31Å; N590-V592 PolarHBondContact O-N 3.23Å; N590-C593 PolarHBondContact O-N 3.45Å; N590-V594 WeakPolarHBondContact O-CB 3.42Å; N590-V594 WeakPolarHBondContact O-CG2 3.5Å; N590-V594 PolarHBondContact O-N 2.9Å
591D90.1Very high87.9Confident40 Ų4041.2 Ų41.221%0.21427%0.269CS..Hα-helixtrans-63.9-38.1178.7-68.8-47.4000111.6Q587 W588 G589 G595 T600 K603 Y605Q587-D591 WeakPolarHBondContact O-CB 3.38Å; Q587-D591 PolarHBondContact O-N 2.93Å; Q587-D591 VanDerWaalsContact O-OD2 3.07Å; W588-D591 PolarHBondContact O-N 3.48Å; G589-D591 PolarHBondContact O-N 2.83Å; D591-G595 WeakPolarHBondContact O-CA 3.39Å; D591-G595 PolarHBondContact O-N 3.29Å; D591-T600 HydrophobicContact CB-CG2 3.61Å; D591-K603 IonicContact OD1-NZ 2.7Å; D591-K603 PolarHBondContact OD1-NZ 3.38Å; D591-K603 WeakPolarHBondContact OD2-CD 3.31Å; D591-K603 WeakPolarHBondContact OD2-CE 3.32Å; D591-K603 IonicContact OD2-NZ 3.37Å; D591-K603 PolarHBondContact OD2-NZ 3.27Å; D591-Y605 PolarHBondContact OD2-OH 3.41Å; D591-Y605 VanDerWaalsContact OD2-OH 3.11Å
592V88.9Confident87.1Confident2 Ų247.3 Ų47.31%0.01231%0.307CS..Hα-helixtrans-66.7-48.3173.91790000110.8E534 W588 G589 N590 V594 G596 I597 T600E534-V592 HydrophobicContact CB-CG1 3.66Å; E534-V592 WeakPolarHBondContact OE2-CG1 3.27Å; W588-V592 HydrophobicContact CD2-CG2 3.98Å; W588-V592 HydrophobicContact CE3-CG2 4.25Å; W588-V592 HydrophobicContact CH2-CG2 3.87Å; W588-V592 HydrophobicContact CZ2-CG2 3.61Å; W588-V592 HydrophobicContact CZ3-CG2 4.16Å; W588-V592 WeakPolarHBondContact O-CG2 3.43Å; W588-V592 PolarHBondContact O-N 2.85Å; G589-V592 PolarHBondContact O-N 2.7Å; N590-V592 VanDerWaalsContact C-N 3.31Å; N590-V592 PolarHBondContact O-N 3.23Å; V592-V594 VanDerWaalsContact C-N 3.34Å; V592-V594 PolarHBondContact O-N 3.22Å; V592-G596 CarbonylContact O-C 3.48Å; V592-G596 WeakPolarHBondContact O-CA 3.31Å; V592-G596 PolarHBondContact O-N 2.93Å; V592-I597 HydrophobicContact CG1-CG1 4.25Å; V592-T600 HydrophobicContact CB-CG2 4.31Å; V592-T600 HydrophobicContact CG2-CG2 3.37Å
593C85.5Confident86.7Confident72 Ų7251.4 Ų51.449%0.48632%0.324SS..Hα-helixtrans-63.8-36.4-178.5-66.30000112.9G589 N590G589-C593 PolarHBondContact O-N 3.02Å; G589-C593 PolarHBondContact O-SG 2.98Å; N590-C593 PolarHBondContact O-N 3.45Å
594V86.8Confident86.3Confident134 Ų13456.6 Ų56.681%0.81235%0.348SS*.Hα-helixtrans-88.5-47.8-177.3176.10000112.5N590 V592N590-V594 WeakPolarHBondContact O-CB 3.42Å; N590-V594 WeakPolarHBondContact O-CG2 3.5Å; N590-V594 PolarHBondContact O-N 2.9Å; V592-V594 VanDerWaalsContact C-N 3.34Å; V592-V594 PolarHBondContact O-N 3.22Å
595G81.6Confident86.2Confident47 Ų4756.3 Ų56.349%0.48535%0.346SS..Hα-helixtrans-97.6-4.6-172.900000114.3D591D591-G595 WeakPolarHBondContact O-CA 3.39Å; D591-G595 PolarHBondContact O-N 3.29Å
596G82.2Confident86Confident30 Ų3058.2 Ų58.231%0.30936%0.355SS..Hα-helixtrans70.2174.7-168.900000112.9V592 G598 A599V592-G596 CarbonylContact O-C 3.48Å; V592-G596 WeakPolarHBondContact O-CA 3.31Å; V592-G596 PolarHBondContact O-N 2.93Å; G596-G598 PolarHBondContact O-N 3.46Å; G596-G598 VanDerWaalsContact O-N 3.16Å; G596-A599 WeakPolarHBondContact O-CB 3.49Å; G596-A599 PolarHBondContact O-N 2.95Å; G596-A599 VanDerWaalsContact O-N 3.09Å
597I76.7Confident86Confident74 Ų7456.3 Ų56.338%0.37935%0.346SS..Hα-helixtrans-58.4-33.9-175.8-58161.7000112.2P531 V592 A599 T600 S601P531-I597 HydrophobicContact CB-CB 4.49Å; P531-I597 HydrophobicContact CB-CD1 3.45Å; P531-I597 VanDerWaalsContact CB-CD1 3.45Å; P531-I597 HydrophobicContact CB-CG1 3.76Å; P531-I597 HydrophobicContact CB-CG2 3.9Å; P531-I597 HydrophobicContact CG-CD1 4.39Å; P531-I597 HydrophobicContact CG-CG2 3.94Å; V592-I597 HydrophobicContact CG1-CG1 4.25Å; I597-A599 VanDerWaalsContact C-N 3.29Å; I597-A599 PolarHBondContact O-N 3.39Å; I597-T600 PolarHBondContact O-N 2.84Å; I597-T600 PolarHBondContact O-OG1 3.48Å; I597-T600 VanDerWaalsContact O-OG1 3.07Å; I597-S601 PolarHBondContact O-OG 2.98Å
598G78.7Confident85.8Confident59 Ų5956 Ų5661%0.60834%0.344SS*.Hα-helixtrans-60.9-35.3178.900000113.4G596 T600 S601G596-G598 PolarHBondContact O-N 3.46Å; G596-G598 VanDerWaalsContact O-N 3.16Å; G598-T600 VanDerWaalsContact C-N 3.27Å; G598-T600 PolarHBondContact O-N 2.97Å; G598-S601 PolarHBondContact O-N 3.04Å
599A80.5Confident85.4Confident45 Ų4556.2 Ų56.237%0.37235%0.345SS..Hα-helixtrans-66.8-28.4-17800000113.1G596 I597G596-A599 WeakPolarHBondContact O-CB 3.49Å; G596-A599 PolarHBondContact O-N 2.95Å; G596-A599 VanDerWaalsContact O-N 3.09Å; I597-A599 VanDerWaalsContact C-N 3.29Å; I597-A599 PolarHBondContact O-N 3.39Å
600T83Confident84.7Confident7 Ų763.2 Ų63.24%0.04338%0.383CS..Hα-helixtrans-91.1-16.6-177.765.20000114.1D591 V592 I597 G598 T602 K603 Y605D591-T600 HydrophobicContact CB-CG2 3.61Å; V592-T600 HydrophobicContact CB-CG2 4.31Å; V592-T600 HydrophobicContact CG2-CG2 3.37Å; I597-T600 PolarHBondContact O-N 2.84Å; I597-T600 PolarHBondContact O-OG1 3.48Å; I597-T600 VanDerWaalsContact O-OG1 3.07Å; G598-T600 VanDerWaalsContact C-N 3.27Å; G598-T600 PolarHBondContact O-N 2.97Å; T600-T602 VanDerWaalsContact C-N 3.32Å; T600-T602 PolarHBondContact O-N 3.31Å; T600-K603 PolarHBondContact O-N 2.93Å; T600-Y605 WeakPolarHBondContact CG2-OH 3.45Å
601S78.6Confident84.2Confident73 Ų7362.4 Ų62.451%0.5140%0.396SS..Hα-helixtrans-61.5-40.3-173.4-65.60000112.4R528 I597 G598R528-S601 PolarHBondContact NH2-O 3.48Å; R528-S601 VanDerWaalsContact NH2-O 3.15Å; I597-S601 PolarHBondContact O-OG 2.98Å; G598-S601 PolarHBondContact O-N 3.04Å
602T78.6Confident83.9Confident128 Ų12865.6 Ų65.679%0.78541%0.406SS*.SBendtrans-99.7-10.6-179.154.20000113.8T600T600-T602 VanDerWaalsContact C-N 3.32Å; T600-T602 PolarHBondContact O-N 3.31Å
603K87Confident83.8Confident85 Ų8571.7 Ų71.737%0.3743%0.434SS..  trans-74.6133.9-177.9-164.9172.6-175.9-176.10110.4D591 T600 Y605D591-K603 IonicContact OD1-NZ 2.7Å; D591-K603 PolarHBondContact OD1-NZ 3.38Å; D591-K603 WeakPolarHBondContact OD2-CD 3.31Å; D591-K603 WeakPolarHBondContact OD2-CE 3.32Å; D591-K603 IonicContact OD2-NZ 3.37Å; D591-K603 PolarHBondContact OD2-NZ 3.27Å; T600-K603 PolarHBondContact O-N 2.93Å; K603-Y605 HydrophobicContact CB-CE2 4.14Å; K603-Y605 HydrophobicContact CD-CE1 4.32Å; K603-Y605 HydrophobicContact CG-CE2 4.35Å
604Q87.4Confident84Confident147 Ų14768.9 Ų68.969%0.68741%0.414SS*.  trans-96.7126176-68.4-176.1-13.400109.9
605Y91.8Very high84.2Confident4 Ų464.2 Ų64.22%0.01639%0.388CS..  trans-100.9112175.7-61.7-89.8000108.1F524 Q587 W588 D591 T600 K603 L616F524-Y605 HydrophobicContact CE2-CD2 4.27Å; F524-Y605 HydrophobicContact CE2-CG 4.38Å; F524-Y605 AromaticContact CZ-CD2 3.83Å; F524-Y605 HydrophobicContact CZ-CD2 3.83Å; F524-Y605 HydrophobicContact CZ-CE2 4.48Å; F524-Y605 HydrophobicContact CZ-CG 4.2Å; Q587-Y605 HydrophobicContact CB-CE1 4.44Å; W588-Y605 WeakPolarHBondContact CA-OH 3.25Å; W588-Y605 HydrophobicContact CB-CD1 4.33Å; W588-Y605 HydrophobicContact CB-CE1 3.72Å; W588-Y605 HydrophobicContact CB-CE2 4.39Å; W588-Y605 AromaticContact CD1-CE2 3.57Å; W588-Y605 AromaticContact CD1-CZ 3.56Å; W588-Y605 HydrophobicContact CG-CE2 4.39Å; D591-Y605 PolarHBondContact OD2-OH 3.41Å; D591-Y605 VanDerWaalsContact OD2-OH 3.11Å; T600-Y605 WeakPolarHBondContact CG2-OH 3.45Å; K603-Y605 HydrophobicContact CB-CE2 4.14Å; K603-Y605 HydrophobicContact CD-CE1 4.32Å; K603-Y605 HydrophobicContact CG-CE2 4.35Å; Y605-L616 WeakPolarHBondContact O-CB 3.34Å; Y605-L616 PolarHBondContact O-N 3.31Å
606M91.8Very high84.6Confident40 Ų4062 Ų6220%0.19737%0.365CS..EExtended strand (participates in β ladder)trans-110.4127.7-171.8-63.1-62.2-64.100110.5H608 Q613 S615M606-H608 WeakPolarHBondContact CB-NE2 3.27Å; M606-H608 PolarHBondContact O-CD2 2.94Å; M606-Q613 HydrophobicContact CE-CB 3.77Å; M606-S615 WeakPolarHBondContact SD-CA 3.41Å; M606-S615 WeakPolarHBondContact SD-CB 3.29Å
607L91.1Very high85Confident0 Ų062.1 Ų62.10%036%0.358CS..EExtended strand (participates in β ladder)trans-84.7118.5171.3-179.8143.7000108.1V577 L581 L584 I609 Q613 V614 L634V577-L607 HydrophobicContact CG1-CD1 4.04Å; L581-L607 HydrophobicContact CD2-CD1 3.65Å; L581-L607 HydrophobicContact CG-CD1 3.8Å; L584-L607 HydrophobicContact CD1-CB 4.15Å; L607-I609 HydrophobicContact CD1-CD1 4.26Å; L607-I609 HydrophobicContact CD2-CB 4.28Å; L607-I609 HydrophobicContact CD2-CD1 3.42Å; L607-I609 VanDerWaalsContact CD2-CD1 3.42Å; L607-I609 HydrophobicContact CD2-CG1 3.54Å; L607-I609 HydrophobicContact CG-CD1 3.94Å; L607-I609 HydrophobicContact CG-CG1 4.07Å; L607-Q613 CarbonylContact O-C 3.52Å; L607-Q613 VanDerWaalsContact O-CA 3.32Å; L607-Q613 WeakPolarHBondContact O-CA 3.28Å; L607-V614 WeakPolarHBondContact CB-O 3.28Å; L607-V614 HydrophobicContact CD2-CB 4.46Å; L607-V614 PolarHBondContact N-O 3.44Å; L607-V614 PolarHBondContact O-N 2.89Å; L607-L634 HydrophobicContact CD2-CD1 3.92Å; L607-L634 HydrophobicContact CD2-CD2 4.36Å
608H88Confident85.7Confident91 Ų9163 Ų6342%0.42136%0.361SS..EExtended strand (participates in β ladder)trans-112.798.5-177.7-61-83.5000110.1Q580 M606 R612 Q613Q580-H608 PolarHBondContact NE2-O 3.46Å; Q580-H608 VanDerWaalsContact OE1-C 3.22Å; Q580-H608 PolarHBondContact OE1-O 3.23Å; M606-H608 WeakPolarHBondContact CB-NE2 3.27Å; M606-H608 PolarHBondContact O-CD2 2.94Å; H608-R612 WeakPolarHBondContact CA-O 3.41Å; H608-Q613 PolarHBondContact CE1-NE2 3.5Å; H608-Q613 WeakPolarHBondContact ND1-CG 3.49Å; H608-Q613 PolarHBondContact ND1-NE2 2.85Å
609I84.7Confident86.2Confident9 Ų960.3 Ų60.35%0.04633%0.332CS..EExtended strand (participates in β ladder)trans-125.8120.5179.4-58.8-176.5000108.2V577 L607 G611 R612V577-I609 HydrophobicContact CB-CD1 3.73Å; V577-I609 HydrophobicContact CG1-CD1 3.94Å; V577-I609 HydrophobicContact CG2-CD1 3.32Å; L607-I609 HydrophobicContact CD1-CD1 4.26Å; L607-I609 HydrophobicContact CD2-CB 4.28Å; L607-I609 HydrophobicContact CD2-CD1 3.42Å; L607-I609 VanDerWaalsContact CD2-CD1 3.42Å; L607-I609 HydrophobicContact CD2-CG1 3.54Å; L607-I609 HydrophobicContact CG-CD1 3.94Å; L607-I609 HydrophobicContact CG-CG1 4.07Å; I609-G611 PolarHBondContact O-N 2.92Å; I609-G611 VanDerWaalsContact O-N 3.08Å; I609-R612 PolarHBondContact N-O 3.41Å; I609-R612 WeakPolarHBondContact O-CB 3.49Å; I609-R612 PolarHBondContact O-N 3.44Å
610D75.9Confident86.7Confident147 Ų14759.2 Ų59.279%0.78632%0.321SS*.THydrogen-bonded Turntrans48.840.8175.8-56.4-29.9000114.2R612D610-R612 VanDerWaalsContact C-N 3.26Å; D610-R612 PolarHBondContact O-N 3.1Å
611G78.4Confident86.9Confident76 Ų7666 Ų6678%0.78435%0.352SS*.THydrogen-bonded Turntrans81.3-8.8-179.700000115.2I609I609-G611 PolarHBondContact O-N 2.92Å; I609-G611 VanDerWaalsContact O-N 3.08Å
612R84.4Confident87.4Confident108 Ų10864.6 Ų64.641%0.40834%0.338SS..EExtended strand (participates in β ladder)trans-78.5136.3168.4-68.6-175.6174.7-176.4-2110H608 I609 D610 T633H608-R612 WeakPolarHBondContact CA-O 3.41Å; I609-R612 PolarHBondContact N-O 3.41Å; I609-R612 WeakPolarHBondContact O-CB 3.49Å; I609-R612 PolarHBondContact O-N 3.44Å; D610-R612 VanDerWaalsContact C-N 3.26Å; D610-R612 PolarHBondContact O-N 3.1Å; R612-T633 PolarHBondContact NH1-OG1 2.92Å
613Q86.9Confident87.8Confident130 Ų13061 Ų6161%0.60732%0.319SS*.EExtended strand (participates in β ladder)trans-116.9115175.1-50.6-164.3-10.300108.8M606 L607 H608M606-Q613 HydrophobicContact CE-CB 3.77Å; L607-Q613 CarbonylContact O-C 3.52Å; L607-Q613 VanDerWaalsContact O-CA 3.32Å; L607-Q613 WeakPolarHBondContact O-CA 3.28Å; H608-Q613 PolarHBondContact CE1-NE2 3.5Å; H608-Q613 WeakPolarHBondContact ND1-CG 3.49Å; H608-Q613 PolarHBondContact ND1-NE2 2.85Å
614V89.4Confident87.5Confident13 Ų1359 Ų598%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-120.1128.1179-173.50000108.7L607 L619 L634L607-V614 WeakPolarHBondContact CB-O 3.28Å; L607-V614 HydrophobicContact CD2-CB 4.46Å; L607-V614 PolarHBondContact N-O 3.44Å; L607-V614 PolarHBondContact O-N 2.89Å; V614-L619 HydrophobicContact CG1-CD1 4.11Å; V614-L619 HydrophobicContact CG1-CD2 3.76Å; V614-L619 HydrophobicContact CG1-CG 3.8Å; V614-L634 HydrophobicContact CG2-CD2 4.46Å
615S91.3Very high87.4Confident36 Ų3657.1 Ų57.125%0.25231%0.31SS..EExtended strand (participates in β ladder)trans-75.3133.817868.10000110.6M606 D617 H618 L619M606-S615 WeakPolarHBondContact SD-CA 3.41Å; M606-S615 WeakPolarHBondContact SD-CB 3.29Å; S615-D617 PolarHBondContact O-N 2.97Å; S615-H618 WeakPolarHBondContact O-CB 3.46Å; S615-H618 PolarHBondContact O-N 3.31Å; S615-H618 VanDerWaalsContact O-N 3.14Å; S615-H618 WeakPolarHBondContact OG-CB 3.15Å; S615-H618 PolarHBondContact OG-N 3.36Å; S615-L619 PolarHBondContact O-N 2.93Å
616L90.9Very high87.3Confident0 Ų060.9 Ų60.90%033%0.33CS..Hα-helixtrans-64.9-33.3-179.4-167.455.5000111.1I521 F524 L581 L584 Y605 H618 L619 T620I521-L616 HydrophobicContact CG1-CD1 3.95Å; F524-L616 HydrophobicContact CB-CD2 4.06Å; F524-L616 HydrophobicContact CD1-CB 4.34Å; F524-L616 HydrophobicContact CD1-CD2 3.45Å; F524-L616 VanDerWaalsContact CD1-CD2 3.45Å; F524-L616 HydrophobicContact CD1-CG 3.45Å; F524-L616 VanDerWaalsContact CD1-CG 3.45Å; F524-L616 HydrophobicContact CD2-CD2 3.59Å; F524-L616 HydrophobicContact CE1-CB 4.05Å; F524-L616 HydrophobicContact CE1-CD2 3.67Å; F524-L616 HydrophobicContact CE1-CG 3.66Å; F524-L616 HydrophobicContact CE2-CD2 3.8Å; F524-L616 HydrophobicContact CG-CD2 3.39Å; F524-L616 HydrophobicContact CG-CG 3.91Å; F524-L616 HydrophobicContact CZ-CD2 3.83Å; F524-L616 HydrophobicContact CZ-CG 4.27Å; L581-L616 HydrophobicContact CD2-CD1 3.36Å; L581-L616 HydrophobicContact CD2-CD2 4.48Å; L584-L616 HydrophobicContact CB-CD2 4.25Å; L584-L616 HydrophobicContact CD1-CD2 4.4Å; Y605-L616 WeakPolarHBondContact O-CB 3.34Å; Y605-L616 PolarHBondContact O-N 3.31Å; L616-H618 VanDerWaalsContact C-N 3.34Å; L616-H618 PolarHBondContact O-N 3.02Å; L616-L619 HydrophobicContact CD1-CB 4.49Å; L616-L619 HydrophobicContact CD1-CD1 4.06Å; L616-L619 WeakPolarHBondContact O-CB 3.33Å; L616-L619 PolarHBondContact O-N 3.38Å; L616-T620 WeakPolarHBondContact O-CG2 3.36Å; L616-T620 PolarHBondContact O-N 2.91Å
617D89.4Confident87.1Confident32 Ų3259.6 Ų59.617%0.17132%0.324CS..Hα-helixtrans-61-41.7173.4-66.8-38.4000112.6R528 S615 L619 T620 H621R528-D617 WeakPolarHBondContact CD-OD1 3.25Å; R528-D617 IonicContact CZ-OD1 2.67Å; R528-D617 IonicContact CZ-OD2 2.74Å; R528-D617 VanDerWaalsContact CZ-OD2 3.31Å; R528-D617 IonicContact NE-OD1 3.11Å; R528-D617 IonicContact NH1-OD1 2.71Å; R528-D617 PolarHBondContact NH1-OD1 3.27Å; R528-D617 IonicContact NH1-OD2 3.1Å; R528-D617 PolarHBondContact NH1-OD2 3.39Å; R528-D617 IonicContact NH2-OD2 3.18Å; S615-D617 PolarHBondContact O-N 2.97Å; D617-L619 VanDerWaalsContact C-N 3.33Å; D617-L619 PolarHBondContact O-N 3.26Å; D617-T620 PolarHBondContact O-N 3.34Å; D617-T620 PolarHBondContact O-OG1 3.21Å; D617-H621 PolarHBondContact O-CD2 3.23Å; D617-H621 PolarHBondContact O-N 3.49Å
618H91.1Very high86.9Confident94 Ų9461.6 Ų61.644%0.43533%0.332SS..Hα-helixtrans-59.3-47.6174.2175.666.4000110.6S615 L616 T620 H621 L622S615-H618 WeakPolarHBondContact O-CB 3.46Å; S615-H618 PolarHBondContact O-N 3.31Å; S615-H618 VanDerWaalsContact O-N 3.14Å; S615-H618 WeakPolarHBondContact OG-CB 3.15Å; S615-H618 PolarHBondContact OG-N 3.36Å; L616-H618 VanDerWaalsContact C-N 3.34Å; L616-H618 PolarHBondContact O-N 3.02Å; H618-T620 VanDerWaalsContact C-N 3.26Å; H618-T620 PolarHBondContact O-N 2.97Å; H618-H621 PolarHBondContact O-N 3.25Å; H618-L622 WeakPolarHBondContact O-CG 3.48Å; H618-L622 PolarHBondContact O-N 2.88Å
619L90.6Very high86.9Confident2 Ų262.4 Ų62.41%0.0134%0.338CS..Hα-helixtrans-58.6-35.4177.5-64.2177.4000112.9I521 V614 S615 L616 D617 H621 L622 L627 E630I521-L619 HydrophobicContact CD1-CB 4.17Å; I521-L619 HydrophobicContact CD1-CD1 3.99Å; I521-L619 HydrophobicContact CG1-CB 4.49Å; I521-L619 HydrophobicContact CG1-CD1 4.5Å; I521-L619 HydrophobicContact CG2-CB 4.06Å; V614-L619 HydrophobicContact CG1-CD1 4.11Å; V614-L619 HydrophobicContact CG1-CD2 3.76Å; V614-L619 HydrophobicContact CG1-CG 3.8Å; S615-L619 PolarHBondContact O-N 2.93Å; L616-L619 HydrophobicContact CD1-CB 4.49Å; L616-L619 HydrophobicContact CD1-CD1 4.06Å; L616-L619 WeakPolarHBondContact O-CB 3.33Å; L616-L619 PolarHBondContact O-N 3.38Å; D617-L619 VanDerWaalsContact C-N 3.33Å; D617-L619 PolarHBondContact O-N 3.26Å; L619-H621 VanDerWaalsContact C-N 3.28Å; L619-H621 PolarHBondContact O-N 3.39Å; L619-L622 HydrophobicContact CD2-CD1 3.89Å; L619-L627 HydrophobicContact CB-CD1 4.13Å; L619-L627 HydrophobicContact CD2-CD1 4.04Å; L619-E630 HydrophobicContact CD2-CG 3.84Å
620T89.5Confident87Confident21 Ų2164.5 Ų64.513%0.12935%0.347CS..Hα-helixtrans-69.5-22.9177.365.30000114.5I521 F524 H525 L616 D617 H618I521-T620 HydrophobicContact CG2-CG2 3.98Å; F524-T620 HydrophobicContact CD1-CG2 3.8Å; F524-T620 HydrophobicContact CE1-CG2 4.45Å; H525-T620 HydrophobicContact CB-CG2 3.71Å; L616-T620 WeakPolarHBondContact O-CG2 3.36Å; L616-T620 PolarHBondContact O-N 2.91Å; D617-T620 PolarHBondContact O-N 3.34Å; D617-T620 PolarHBondContact O-OG1 3.21Å; H618-T620 VanDerWaalsContact C-N 3.26Å; H618-T620 PolarHBondContact O-N 2.97Å
621H88.5Confident87.6Confident151 Ų15157.5 Ų57.570%0.69931%0.31SS*.Hα-helixtrans-97.3-10-178.4-72-58000113.8D617 H618 L619D617-H621 PolarHBondContact O-CD2 3.23Å; D617-H621 PolarHBondContact O-N 3.49Å; H618-H621 PolarHBondContact O-N 3.25Å; L619-H621 VanDerWaalsContact C-N 3.28Å; L619-H621 PolarHBondContact O-N 3.39Å
622L89Confident88Confident42 Ų4256.9 Ų56.922%0.2229%0.286CS..SBendtrans-64.7152.7176.5-72.5179.5000112H618 L619 D626 L627 E630H618-L622 WeakPolarHBondContact O-CG 3.48Å; H618-L622 PolarHBondContact O-N 2.88Å; L619-L622 HydrophobicContact CD2-CD1 3.89Å; L622-D626 HydrophobicContact CB-CB 4.26Å; L622-D626 HydrophobicContact CD2-CB 4.01Å; L622-L627 HydrophobicContact CB-CB 4.18Å; L622-L627 HydrophobicContact CD1-CD1 4.4Å; L622-E630 HydrophobicContact CD1-CB 4.35Å
623S86.7Confident88.1Confident54 Ų5454.2 Ų54.238%0.37828%0.282SS..  trans-67.9160.2167790000110.2D625 D626 L627S623-D625 PolarHBondContact O-N 2.95Å; S623-D626 WeakPolarHBondContact CB-OD2 3.28Å; S623-D626 PolarHBondContact O-N 2.91Å; S623-D626 PolarHBondContact OG-N 3.15Å; S623-D626 PolarHBondContact OG-OD2 3.32Å; S623-L627 VanDerWaalsContact O-CB 3.23Å; S623-L627 WeakPolarHBondContact O-CB 3.47Å; S623-L627 PolarHBondContact O-N 3.29Å
624S81.8Confident88Confident42 Ų4248.6 Ų48.629%0.29426%0.256SS..Hα-helixtrans-57.5-37.3178.3-62.50000112.6R628S624-R628 WeakPolarHBondContact O-CB 3.31Å; S624-R628 PolarHBondContact O-N 3.08Å
625D83.9Confident87.8Confident108 Ų10850 Ų5058%0.57826%0.262SS*.Hα-helixtrans-72.1-43.2179-66-33000111.7S623 R628 I629S623-D625 PolarHBondContact O-N 2.95Å; D625-R628 WeakPolarHBondContact O-CB 3.42Å; D625-R628 PolarHBondContact O-N 3.32Å; D625-I629 WeakPolarHBondContact O-CG1 3.44Å; D625-I629 PolarHBondContact O-N 3.33Å
626D89.5Confident86.7Confident83 Ų8355.1 Ų55.144%0.44428%0.282SS..Hα-helixtrans-67-41.1177.6-60-42.1000111.4L622 S623 R628 I629 E630L622-D626 HydrophobicContact CB-CB 4.26Å; L622-D626 HydrophobicContact CD2-CB 4.01Å; S623-D626 WeakPolarHBondContact CB-OD2 3.28Å; S623-D626 PolarHBondContact O-N 2.91Å; S623-D626 PolarHBondContact OG-N 3.15Å; S623-D626 PolarHBondContact OG-OD2 3.32Å; D626-R628 VanDerWaalsContact C-N 3.25Å; D626-R628 PolarHBondContact O-N 3.34Å; D626-I629 PolarHBondContact O-N 3.27Å; D626-E630 WeakPolarHBondContact O-CB 3.46Å; D626-E630 PolarHBondContact O-N 3.02Å
627L88.7Confident85.1Confident13 Ų1361.5 Ų61.57%0.06831%0.31CS..Hα-helixtrans-60.1-38.4174.3-174.866000111.1I521 L619 L622 S623 L631I521-L627 HydrophobicContact CD1-CD1 3.84Å; L619-L627 HydrophobicContact CB-CD1 4.13Å; L619-L627 HydrophobicContact CD2-CD1 4.04Å; L622-L627 HydrophobicContact CB-CB 4.18Å; L622-L627 HydrophobicContact CD1-CD1 4.4Å; S623-L627 VanDerWaalsContact O-CB 3.23Å; S623-L627 WeakPolarHBondContact O-CB 3.47Å; S623-L627 PolarHBondContact O-N 3.29Å; L627-L631 HydrophobicContact CD1-CD1 4.22Å; L627-L631 HydrophobicContact CD1-CG 4.32Å; L627-L631 HydrophobicContact CG-CD1 4.02Å; L627-L631 HydrophobicContact CG-CG 4.47Å; L627-L631 WeakPolarHBondContact O-CB 3.42Å; L627-L631 WeakPolarHBondContact O-CG 3.48Å; L627-L631 PolarHBondContact O-N 3.48Å
628R85.7Confident83Confident42 Ų4266.3 Ų66.316%0.15834%0.336CS..Hα-helixtrans-62.5-49.2175.5-174.8-176.8-65.7-80.5-1.5112.2E470 D474 Y514 S624 D625 D626 E630 K632E470-R628 PolarHBondContact O-NH2 3.43Å; E470-R628 VanDerWaalsContact O-NH2 3.16Å; E470-R628 IonicContact OE2-CZ 3.46Å; E470-R628 IonicContact OE2-NH1 3.84Å; E470-R628 PolarHBondContact OE2-NH1 2.9Å; D474-R628 IonicContact OD1-NH2 3.79Å; D474-R628 PolarHBondContact OD1-NH2 3.28Å; D474-R628 IonicContact OD2-CZ 2.72Å; D474-R628 IonicContact OD2-NE 2.81Å; D474-R628 IonicContact OD2-NH2 2.64Å; D474-R628 PolarHBondContact OD2-NH2 2.97Å; Y514-R628 HydrophobicContact CE2-CB 4.06Å; Y514-R628 HydrophobicContact CE2-CG 4.07Å; Y514-R628 WeakPolarHBondContact OH-CB 3.48Å; S624-R628 WeakPolarHBondContact O-CB 3.31Å; S624-R628 PolarHBondContact O-N 3.08Å; D625-R628 WeakPolarHBondContact O-CB 3.42Å; D625-R628 PolarHBondContact O-N 3.32Å; D626-R628 VanDerWaalsContact C-N 3.25Å; D626-R628 PolarHBondContact O-N 3.34Å; R628-E630 VanDerWaalsContact C-N 3.35Å; R628-K632 HydrophobicContact CG-CD 4.32Å; R628-K632 WeakPolarHBondContact O-CB 3.22Å; R628-K632 WeakPolarHBondContact O-CG 3.42Å; R628-K632 PolarHBondContact O-N 3.25Å
629I87.8Confident80.6Confident108 Ų10869.2 Ų69.255%0.55435%0.353SS*.Hα-helixtrans-61-49.1178.9-65.7165000109.3D625 D626 L631 K632 T633D625-I629 WeakPolarHBondContact O-CG1 3.44Å; D625-I629 PolarHBondContact O-N 3.33Å; D626-I629 PolarHBondContact O-N 3.27Å; I629-L631 PolarHBondContact O-N 3.16Å; I629-K632 PolarHBondContact O-N 2.78Å; I629-T633 HydrophobicContact CG2-CG2 4.44Å; I629-T633 WeakPolarHBondContact O-CG2 3.28Å; I629-T633 PolarHBondContact O-N 2.78Å
630E88.1Confident78Confident52 Ų5273.5 Ų73.524%0.24338%0.383CS..Hα-helixtrans-60.4-50.4-177.9-17061.7-158.300111.8L619 L622 D626 R628 K632 T633 L634L619-E630 HydrophobicContact CD2-CG 3.84Å; L622-E630 HydrophobicContact CD1-CB 4.35Å; D626-E630 WeakPolarHBondContact O-CB 3.46Å; D626-E630 PolarHBondContact O-N 3.02Å; R628-E630 VanDerWaalsContact C-N 3.35Å; E630-K632 PolarHBondContact O-N 3.43Å; E630-T633 PolarHBondContact O-N 3.48Å; E630-T633 VanDerWaalsContact O-N 3.13Å; E630-T633 PolarHBondContact O-OG1 2.98Å; E630-L634 HydrophobicContact CG-CD1 4.44Å; E630-L634 WeakPolarHBondContact O-CG 3.47Å; E630-L634 PolarHBondContact O-N 3.43Å; E630-L634 VanDerWaalsContact O-N 3.12Å
631L88.6Confident75.3Confident0 Ų077.7 Ų77.70%041%0.409CS..Hα-helixtrans-64.1-39.8179.4-75176.5000112.8Y514 I521 V577 L627 I629 T633 L634 I635Y514-L631 HydrophobicContact CD2-CB 3.6Å; Y514-L631 HydrophobicContact CD2-CD1 3.69Å; Y514-L631 HydrophobicContact CD2-CG 4.31Å; Y514-L631 HydrophobicContact CE2-CB 3.93Å; Y514-L631 HydrophobicContact CE2-CD1 3.63Å; Y514-L631 HydrophobicContact CE2-CG 4.39Å; I521-L631 HydrophobicContact CD1-CD1 4.03Å; I521-L631 HydrophobicContact CD1-CD2 3.98Å; I521-L631 HydrophobicContact CD1-CG 4.37Å; V577-L631 HydrophobicContact CG1-CD2 4.23Å; L627-L631 HydrophobicContact CD1-CD1 4.22Å; L627-L631 HydrophobicContact CD1-CG 4.32Å; L627-L631 HydrophobicContact CG-CD1 4.02Å; L627-L631 HydrophobicContact CG-CG 4.47Å; L627-L631 WeakPolarHBondContact O-CB 3.42Å; L627-L631 WeakPolarHBondContact O-CG 3.48Å; L627-L631 PolarHBondContact O-N 3.48Å; I629-L631 PolarHBondContact O-N 3.16Å; L631-T633 VanDerWaalsContact C-N 3.26Å; L631-T633 PolarHBondContact O-N 3.12Å; L631-L634 HydrophobicContact CD2-CD1 4.49Å; L631-L634 PolarHBondContact O-N 3.47Å; L631-L634 VanDerWaalsContact O-N 3.11Å; L631-I635 VanDerWaalsContact O-CG1 3.31Å; L631-I635 WeakPolarHBondContact O-CG1 3.47Å; L631-I635 PolarHBondContact O-N 3.45Å
632K86.3Confident72.8Confident63 Ų6375.1 Ų75.127%0.27441%0.405SS..Hα-helixtrans-61.5-37.9174.3-75-172.2179-166.30111.2E470 R628 I629 E630 L634 I635 E636E470-K632 IonicContact OE2-NZ 2.69Å; E470-K632 PolarHBondContact OE2-NZ 3.49Å; R628-K632 HydrophobicContact CG-CD 4.32Å; R628-K632 WeakPolarHBondContact O-CB 3.22Å; R628-K632 WeakPolarHBondContact O-CG 3.42Å; R628-K632 PolarHBondContact O-N 3.25Å; I629-K632 PolarHBondContact O-N 2.78Å; E630-K632 PolarHBondContact O-N 3.43Å; K632-L634 VanDerWaalsContact C-N 3.27Å; K632-L634 PolarHBondContact O-N 3.46Å; K632-I635 PolarHBondContact O-N 2.86Å; K632-E636 VanDerWaalsContact O-CB 3.31Å; K632-E636 WeakPolarHBondContact O-CB 3.33Å; K632-E636 PolarHBondContact O-N 3.33Å
633T87.2Confident70.2Confident53 Ų5381.7 Ų81.733%0.32543%0.434SS..Hα-helixtrans-67.9-25.8175.978.60000114R612 I629 E630 L631R612-T633 PolarHBondContact NH1-OG1 2.92Å; I629-T633 HydrophobicContact CG2-CG2 4.44Å; I629-T633 WeakPolarHBondContact O-CG2 3.28Å; I629-T633 PolarHBondContact O-N 2.78Å; E630-T633 PolarHBondContact O-N 3.48Å; E630-T633 VanDerWaalsContact O-N 3.13Å; E630-T633 PolarHBondContact O-OG1 2.98Å; L631-T633 VanDerWaalsContact C-N 3.26Å; L631-T633 PolarHBondContact O-N 3.12Å
634L85Confident67.8Low11 Ų1186 Ų866%0.05845%0.452CS..Hα-helixtrans-83.3-31.2177.4-67.8171.4000112.3V577 L607 V614 E630 L631 K632V577-L634 HydrophobicContact CG2-CB 4.17Å; L607-L634 HydrophobicContact CD2-CD1 3.92Å; L607-L634 HydrophobicContact CD2-CD2 4.36Å; V614-L634 HydrophobicContact CG2-CD2 4.46Å; E630-L634 HydrophobicContact CG-CD1 4.44Å; E630-L634 WeakPolarHBondContact O-CG 3.47Å; E630-L634 PolarHBondContact O-N 3.43Å; E630-L634 VanDerWaalsContact O-N 3.12Å; L631-L634 HydrophobicContact CD2-CD1 4.49Å; L631-L634 PolarHBondContact O-N 3.47Å; L631-L634 VanDerWaalsContact O-N 3.11Å; K632-L634 VanDerWaalsContact C-N 3.27Å; K632-L634 PolarHBondContact O-N 3.46Å
635I84.8Confident65.6Low42 Ų4291.6 Ų91.622%0.21547%0.473CS..Hα-helixtrans-88.2-43.4-178.8-63.3165000111.9P513 V577 L631 K632 K637P513-I635 HydrophobicContact CB-CD1 4.11Å; P513-I635 HydrophobicContact CB-CG2 4.49Å; P513-I635 HydrophobicContact CG-CD1 4.3Å; P513-I635 HydrophobicContact CG-CG2 3.93Å; V577-I635 HydrophobicContact CB-CG1 4.48Å; V577-I635 HydrophobicContact CG2-CG1 3.8Å; L631-I635 VanDerWaalsContact O-CG1 3.31Å; L631-I635 WeakPolarHBondContact O-CG1 3.47Å; L631-I635 PolarHBondContact O-N 3.45Å; K632-I635 PolarHBondContact O-N 2.86Å; I635-K637 PolarHBondContact O-N 3.15Å
636E67.9Low63.3Low144 Ų14491.3 Ų91.367%0.67348%0.48SS*.  trans-88.527.3-164.7-67-173.1155.400116.2K632K632-E636 VanDerWaalsContact O-CB 3.31Å; K632-E636 WeakPolarHBondContact O-CB 3.33Å; K632-E636 PolarHBondContact O-N 3.33Å
637K57Low60.7Low135 Ų13593.1 Ų93.159%0.58749%0.494SS*.  trans-88.3123.4174.5-93.7-167.8172.7-167.40113.8I635 I639I635-K637 PolarHBondContact O-N 3.15Å; K637-I639 PolarHBondContact O-N 3.14Å
638D45.1Very low58.2Low132 Ų132101.4 Ų101.471%0.70653%0.53SS*.  trans24.288.8154.3-64.9-36.7000114.3S640D638-S640 PolarHBondContact O-N 3.44Å
639I40.5Very low55.8Low155 Ų155107.2 Ų107.280%0.79556%0.558SS**  trans-59.578.9131.6-53.3170000104.8K637 V641K637-I639 PolarHBondContact O-N 3.14Å; I639-V641 HydrophobicContact CG2-CG2 4.03Å; I639-V641 PolarHBondContact O-N 3.32Å
640S36.1Very low53.4Low93 Ų93108.5 Ų108.565%0.6557%0.565SS**  trans-5592.2145.140.80000102.5D638 P642D638-S640 PolarHBondContact O-N 3.44Å; S640-P642 VanDerWaalsContact C-N 3.32Å; S640-P642 WeakPolarHBondContact O-CD 3.33Å
641V34Very low50.8Low109 Ų109112.5 Ų112.566%0.66159%0.588SS**  trans-47.6110.6167.8175.70000102.2I639 E643I639-V641 HydrophobicContact CG2-CG2 4.03Å; I639-V641 PolarHBondContact O-N 3.32Å; V641-E643 PolarHBondContact O-N 3.12Å
642P36.3Very low48.4Very low96 Ų96117.9 Ų117.962%0.62362%0.621SS**  trans-53.9124.4175.5-16.227.6000103S640 I644S640-P642 VanDerWaalsContact C-N 3.32Å; S640-P642 WeakPolarHBondContact O-CD 3.33Å; P642-I644 PolarHBondContact O-N 2.96Å
643E33.9Very low46.2Very low180 Ų180118.8 Ų118.884%0.84164%0.635SS**  trans-53.499.9166-77.4-177160.100104.3V641 Q645V641-E643 PolarHBondContact O-N 3.12Å; E643-Q645 PolarHBondContact O-N 2.89Å
644I36.4Very low44Very low145 Ų145123.1 Ų123.174%0.74466%0.657SS**  trans-66.792.9176.4-66.3168.4000101.8P642 S646P642-I644 PolarHBondContact O-N 2.96Å; I644-S646 VanDerWaalsContact C-N 3.3Å; I644-S646 PolarHBondContact O-N 2.83Å
645Q35.4Very low41.9Very low159 Ų159132.2 Ų132.274%0.74370%0.696SS**  trans-52.6109.1165.7-72-174.9-200104.1E643 T647E643-Q645 PolarHBondContact O-N 2.89Å; Q645-T647 PolarHBondContact O-N 2.88Å; Q645-T647 PolarHBondContact O-OG1 2.78Å
646S35.1Very low40Very low102 Ų102139.5 Ų139.571%0.71373%0.726SS**  trans-66.473.3-171.356.50000109.6I644 K648I644-S646 VanDerWaalsContact C-N 3.3Å; I644-S646 PolarHBondContact O-N 2.83Å; S646-K648 PolarHBondContact O-N 2.74Å; S646-K648 VanDerWaalsContact O-N 3.1Å
647T35.7Very low39.5Very low122 Ų122137 Ų13775%0.74872%0.717SS**  trans-83.280.8162.944.70000105.3Q645 Q649Q645-T647 PolarHBondContact O-N 2.88Å; Q645-T647 PolarHBondContact O-OG1 2.78Å; T647-Q649 PolarHBondContact O-N 3.41Å
648K34.8Very low39.6Very low187 Ų187133.6 Ų133.681%0.81371%0.71SS**  trans-63.469.5162.3-75.3-178.6175178.40108.5S646S646-K648 PolarHBondContact O-N 2.74Å; S646-K648 VanDerWaalsContact O-N 3.1Å
649Q35.2Very low41Very low163 Ų163134 Ų13476%0.76271%0.712SS**  trans-94.887.9154.2-78.1-173.2-8.900105.4T647 N651T647-Q649 PolarHBondContact O-N 3.41Å; Q649-N651 PolarHBondContact O-N 2.98Å
650I37.4Very low42.1Very low136 Ų136130.7 Ų130.770%0.69770%0.703SS**  trans-6293.8163.9-58.3167.5000104.2T652I650-T652 HydrophobicContact CG2-CG2 3.86Å; I650-T652 PolarHBondContact O-N 3.41Å
651N34.7Very low43.6Very low135 Ų135130.8 Ų130.872%0.72269%0.692SS**  trans-63.988167.3-94.9-17.3000106.2Q649 S653Q649-N651 PolarHBondContact O-N 2.98Å; N651-S653 PolarHBondContact O-N 3.46Å
652T37.3Very low45.3Very low114 Ų114129.4 Ų129.470%0.69968%0.68SS**  trans-71.445.5160.545.20000108.7I650 D654I650-T652 HydrophobicContact CG2-CG2 3.86Å; I650-T652 PolarHBondContact O-N 3.41Å; T652-D654 PolarHBondContact O-N 2.65Å
653S40.1Very low47Very low81 Ų81131.4 Ų131.457%0.56668%0.679SS**  trans-65.796.2163.453.70000105.2N651 F655N651-S653 PolarHBondContact O-N 3.46Å; S653-F655 PolarHBondContact O-N 2.84Å
654D40.4Very low48.7Very low144 Ų144128.5 Ų128.577%0.7766%0.661SS**  trans-35.9110.3169.2-69.7-38.2000107.8T652 K656T652-D654 PolarHBondContact O-N 2.65Å; D654-K656 PolarHBondContact O-N 2.89Å
655F41.2Very low50.1Low203 Ų203123.5 Ų123.589%0.8964%0.635SS**  trans-6292.4177.3-105.1-93000106.9S653 L657S653-F655 PolarHBondContact O-N 2.84Å; F655-L657 PolarHBondContact O-N 2.86Å; F655-L657 VanDerWaalsContact O-N 3.15Å
656K45.4Very low51.8Low195 Ų195118.7 Ų118.785%0.84862%0.62SS**  trans-70108.2167-76.1-172.7175.7-176.20106.6D654 S658D654-K656 PolarHBondContact O-N 2.89Å; K656-S658 PolarHBondContact O-N 3.13Å
657L56.6Low53.6Low91 Ų91120.7 Ų120.748%0.47662%0.618SS.*  trans-53.5137.9167.8-69.6166.8000108.5F655 F661 I662 L665F655-L657 PolarHBondContact O-N 2.86Å; F655-L657 VanDerWaalsContact O-N 3.15Å; L657-F661 HydrophobicContact CB-CD1 4.48Å; L657-F661 HydrophobicContact CD1-CD1 4.37Å; L657-F661 HydrophobicContact CD2-CD1 3.64Å; L657-F661 HydrophobicContact CD2-CE1 3.93Å; L657-F661 HydrophobicContact CG-CD1 4.38Å; L657-I662 HydrophobicContact CB-CD1 4.3Å; L657-I662 HydrophobicContact CB-CG1 3.9Å; L657-L665 HydrophobicContact CD1-CD1 4.36Å
658S60.5Low55.1Low64 Ų64121.5 Ų121.545%0.44861%0.608SS.*  trans-62.7147.6176.765.80000110.2K656 S660 F661 I662K656-S658 PolarHBondContact O-N 3.13Å; S658-S660 PolarHBondContact O-N 3.21Å; S658-S660 VanDerWaalsContact O-N 3.11Å; S658-S660 PolarHBondContact OG-OG 3.48Å; S658-F661 WeakPolarHBondContact O-CA 3.49Å; S658-F661 WeakPolarHBondContact O-CB 3.46Å; S658-F661 PolarHBondContact O-N 3.07Å; S658-F661 PolarHBondContact OG-N 3.14Å; S658-I662 PolarHBondContact O-N 3.48Å
659D74.1Confident56.4Low139 Ų139119.7 Ų119.774%0.74361%0.607SS**Hα-helixtrans-55.7-32.4177.4-64.4-27.7000112F661 I662 K663D659-F661 VanDerWaalsContact C-N 3.34Å; D659-F661 PolarHBondContact O-N 3.1Å; D659-I662 PolarHBondContact O-N 3.49Å; D659-K663 VanDerWaalsContact O-CB 3.32Å; D659-K663 WeakPolarHBondContact O-CB 3.48Å; D659-K663 PolarHBondContact O-N 2.94Å
660S64.1Low57.3Low86 Ų86117.4 Ų117.460%0.60160%0.599SS**Hα-helixtrans-62.8-37.7173.956.20000113.1S658 Y664S658-S660 PolarHBondContact O-N 3.21Å; S658-S660 VanDerWaalsContact O-N 3.11Å; S658-S660 PolarHBondContact OG-OG 3.48Å; S660-Y664 PolarHBondContact O-N 3.23Å
661F66.5Low57.8Low95 Ų95114.8 Ų114.842%0.41759%0.59SS.*Hα-helixtrans-78.8-36.3179.8-165.5-97.1000111.6L657 S658 D659 K663 Y664 L665L657-F661 HydrophobicContact CB-CD1 4.48Å; L657-F661 HydrophobicContact CD1-CD1 4.37Å; L657-F661 HydrophobicContact CD2-CD1 3.64Å; L657-F661 HydrophobicContact CD2-CE1 3.93Å; L657-F661 HydrophobicContact CG-CD1 4.38Å; S658-F661 WeakPolarHBondContact O-CA 3.49Å; S658-F661 WeakPolarHBondContact O-CB 3.46Å; S658-F661 PolarHBondContact O-N 3.07Å; S658-F661 PolarHBondContact OG-N 3.14Å; D659-F661 VanDerWaalsContact C-N 3.34Å; D659-F661 PolarHBondContact O-N 3.1Å; F661-K663 VanDerWaalsContact C-N 3.29Å; F661-K663 PolarHBondContact O-N 3.47Å; F661-Y664 WeakPolarHBondContact O-CB 3.3Å; F661-Y664 PolarHBondContact O-N 3.16Å; F661-L665 HydrophobicContact CD1-CD1 3.74Å; F661-L665 HydrophobicContact CD1-CG 4.09Å; F661-L665 HydrophobicContact CE1-CD1 3.65Å; F661-L665 HydrophobicContact CE1-CD2 4.26Å; F661-L665 HydrophobicContact CE1-CG 3.94Å; F661-L665 WeakPolarHBondContact O-CG 3.4Å; F661-L665 PolarHBondContact O-N 2.92Å
662I70.2Confident58.4Low80 Ų80112.7 Ų112.741%0.4159%0.586SS.*Hα-helixtrans-60.9-43.2171.3-62.5174.9000109.9L657 S658 D659 L665 S666L657-I662 HydrophobicContact CB-CD1 4.3Å; L657-I662 HydrophobicContact CB-CG1 3.9Å; S658-I662 PolarHBondContact O-N 3.48Å; D659-I662 PolarHBondContact O-N 3.49Å; I662-L665 PolarHBondContact O-N 3.31Å; I662-S666 PolarHBondContact O-N 2.99Å; I662-S666 PolarHBondContact O-OG 3.17Å
663K72.5Confident58.7Low138 Ų138115.6 Ų115.660%0.660%0.597SS**Hα-helixtrans-62.8-42.9176.4-152.2178.2-172-174.70112D659 F661 L665 S666 E667D659-K663 VanDerWaalsContact O-CB 3.32Å; D659-K663 WeakPolarHBondContact O-CB 3.48Å; D659-K663 PolarHBondContact O-N 2.94Å; F661-K663 VanDerWaalsContact C-N 3.29Å; F661-K663 PolarHBondContact O-N 3.47Å; K663-L665 PolarHBondContact O-N 3.45Å; K663-S666 WeakPolarHBondContact CA-OG 3.5Å; K663-S666 PolarHBondContact O-N 3.04Å; K663-S666 PolarHBondContact O-OG 3Å; K663-E667 PolarHBondContact O-N 3.47Å
664Y69.3Low58.8Low120 Ų120117 Ų11747%0.47160%0.602SS.*Hα-helixtrans-59.1-45.5172.6-172.1-90.3000111.7S660 F661 S666 E667 Y668S660-Y664 PolarHBondContact O-N 3.23Å; F661-Y664 WeakPolarHBondContact O-CB 3.3Å; F661-Y664 PolarHBondContact O-N 3.16Å; Y664-S666 VanDerWaalsContact C-N 3.32Å; Y664-S666 PolarHBondContact O-N 3.43Å; Y664-E667 PolarHBondContact O-N 3.09Å; Y664-Y668 HydrophobicContact CD1-CD2 4.27Å; Y664-Y668 HydrophobicContact CD1-CE2 4.48Å; Y664-Y668 HydrophobicContact CD2-CE2 4.24Å; Y664-Y668 AromaticContact CE1-CD2 3.99Å; Y664-Y668 HydrophobicContact CE1-CD2 3.99Å; Y664-Y668 AromaticContact CE1-CE2 3.97Å; Y664-Y668 HydrophobicContact CE1-CE2 3.97Å; Y664-Y668 HydrophobicContact CE2-CD2 4.43Å; Y664-Y668 AromaticContact CE2-CE2 3.72Å; Y664-Y668 HydrophobicContact CE2-CE2 3.72Å; Y664-Y668 AromaticContact CZ-CE2 3.56Å; Y664-Y668 WeakPolarHBondContact O-CD2 3.5Å
665L66.1Low58.5Low39 Ų39118.4 Ų118.420%0.20460%0.604CS.*Hα-helixtrans-63.9-36.1177.5-71.9172.1000112.9L657 F661 I662 K663 Y668 D669 L670 T671L657-L665 HydrophobicContact CD1-CD1 4.36Å; F661-L665 HydrophobicContact CD1-CD1 3.74Å; F661-L665 HydrophobicContact CD1-CG 4.09Å; F661-L665 HydrophobicContact CE1-CD1 3.65Å; F661-L665 HydrophobicContact CE1-CD2 4.26Å; F661-L665 HydrophobicContact CE1-CG 3.94Å; F661-L665 WeakPolarHBondContact O-CG 3.4Å; F661-L665 PolarHBondContact O-N 2.92Å; I662-L665 PolarHBondContact O-N 3.31Å; K663-L665 PolarHBondContact O-N 3.45Å; L665-Y668 PolarHBondContact O-N 3.26Å; L665-D669 PolarHBondContact O-N 3.22Å; L665-L670 HydrophobicContact CD2-CB 4.03Å; L665-L670 HydrophobicContact CD2-CD1 4.28Å; L665-L670 PolarHBondContact O-N 3.06Å; L665-L670 VanDerWaalsContact O-N 3.1Å; L665-T671 HydrophobicContact CB-CG2 4.21Å
666S70.3Confident58.3Low59 Ų59114 Ų11441%0.41360%0.596SS.*Hα-helixtrans-70.8-30.9176.265.60000113.6I662 K663 Y664 Y668 D669I662-S666 PolarHBondContact O-N 2.99Å; I662-S666 PolarHBondContact O-OG 3.17Å; K663-S666 WeakPolarHBondContact CA-OG 3.5Å; K663-S666 PolarHBondContact O-N 3.04Å; K663-S666 PolarHBondContact O-OG 3Å; Y664-S666 VanDerWaalsContact C-N 3.32Å; Y664-S666 PolarHBondContact O-N 3.43Å; S666-Y668 PolarHBondContact O-N 3.09Å; S666-D669 PolarHBondContact O-N 3.39Å
667E73.2Confident57.9Low144 Ų144110.4 Ų110.467%0.67359%0.592SS**Hα-helixtrans-68.5-18.5175.4-82.7179.3175.500112.9K663 Y664K663-E667 PolarHBondContact O-N 3.47Å; Y664-E667 PolarHBondContact O-N 3.09Å
668Y67.3Low56.8Low138 Ų138115 Ų11554%0.54161%0.611SS.*THydrogen-bonded Turntrans-110.814.2-179.1-74.7-82.4000113.8Y664 L665 S666 L670Y664-Y668 HydrophobicContact CD1-CD2 4.27Å; Y664-Y668 HydrophobicContact CD1-CE2 4.48Å; Y664-Y668 HydrophobicContact CD2-CE2 4.24Å; Y664-Y668 AromaticContact CE1-CD2 3.99Å; Y664-Y668 HydrophobicContact CE1-CD2 3.99Å; Y664-Y668 AromaticContact CE1-CE2 3.97Å; Y664-Y668 HydrophobicContact CE1-CE2 3.97Å; Y664-Y668 HydrophobicContact CE2-CD2 4.43Å; Y664-Y668 AromaticContact CE2-CE2 3.72Å; Y664-Y668 HydrophobicContact CE2-CE2 3.72Å; Y664-Y668 AromaticContact CZ-CE2 3.56Å; Y664-Y668 WeakPolarHBondContact O-CD2 3.5Å; L665-Y668 PolarHBondContact O-N 3.26Å; S666-Y668 PolarHBondContact O-N 3.09Å; Y668-L670 PolarHBondContact O-N 3.26Å
669D60.9Low55.7Low150 Ų150121.2 Ų121.280%0.80263%0.63SS**THydrogen-bonded Turntrans51.726.4-176.8-73.8-29.8000113.5L665 S666 T671L665-D669 PolarHBondContact O-N 3.22Å; S666-D669 PolarHBondContact O-N 3.39Å; D669-T671 VanDerWaalsContact C-N 3.29Å; D669-T671 PolarHBondContact O-N 3.48Å
670L54.5Low53.8Low114 Ų114124.5 Ų124.560%0.59764%0.638SS**  trans-87.30.7-178.3-74.8168.3000112.8L665 Y668 S672L665-L670 HydrophobicContact CD2-CB 4.03Å; L665-L670 HydrophobicContact CD2-CD1 4.28Å; L665-L670 PolarHBondContact O-N 3.06Å; L665-L670 VanDerWaalsContact O-N 3.1Å; Y668-L670 PolarHBondContact O-N 3.26Å; L670-S672 VanDerWaalsContact C-N 3.32Å; L670-S672 PolarHBondContact O-N 3.16Å; L670-S672 VanDerWaalsContact O-N 3.12Å
671T48.7Very low52.2Low82 Ų82131.5 Ų131.550%0.50365%0.651SS.*  trans-82.581169.7550000108.9L665 D669 D673L665-T671 HydrophobicContact CB-CG2 4.21Å; D669-T671 VanDerWaalsContact C-N 3.29Å; D669-T671 PolarHBondContact O-N 3.48Å; T671-D673 PolarHBondContact O-N 2.75Å
672S47Very low50.6Low91 Ų91136 Ų13664%0.63667%0.67SS**  trans-62.2128163.853.10000108.5L670 V674L670-S672 VanDerWaalsContact C-N 3.32Å; L670-S672 PolarHBondContact O-N 3.16Å; L670-S672 VanDerWaalsContact O-N 3.12Å; S672-V674 PolarHBondContact O-N 3.33Å; S672-V674 WeakPolarHBondContact OG-CG2 3.16Å
673D43.4Very low48.7Very low174 Ų174137.4 Ų137.493%0.9369%0.688SS**  trans-5577.7169.6-71.8-41.9000110.5T671T671-D673 PolarHBondContact O-N 2.75Å
674V41.8Very low46.9Very low110 Ų110142.7 Ų142.767%0.66772%0.721SS**  trans-101.385.5171.9-176.50000105S672S672-V674 PolarHBondContact O-N 3.33Å; S672-V674 WeakPolarHBondContact OG-CG2 3.16Å
675E33.8Very low45.8Very low175 Ų175143.8 Ų143.882%0.81873%0.734SS**PPolyproline II helixtrans-48.5127.7161.1-83.2-172.215300108
676P39Very low44.7Very low110 Ų110149.3 Ų149.371%0.71476%0.762SS**PPolyproline II helixtrans-61.2136-177.924.4-31.4000108.6E678P676-E678 PolarHBondContact O-N 2.99Å; P676-E678 VanDerWaalsContact O-N 3.09Å
677P35.1Very low43.3Very low119 Ų119154.3 Ų154.377%0.77378%0.781SS**PPolyproline II helixtrans-61.3121.1-173.325-32000109.2K679P677-K679 PolarHBondContact O-N 3.07Å; P677-K679 VanDerWaalsContact O-N 3.14Å
678E34.8Very low41.5Very low187 Ų187154.9 Ų154.987%0.87479%0.787SS**PPolyproline II helixtrans-49.6123.9173.7-78.3-169.7144.800109.6P676 K680P676-E678 PolarHBondContact O-N 2.99Å; P676-E678 VanDerWaalsContact O-N 3.09Å; E678-K680 PolarHBondContact O-N 3.36Å
679K37Very low39.9Very low195 Ų195156 Ų15685%0.84880%0.803SS**  trans-47.8102177.4-70.2175.8176.9174.70109.8P677 R681P677-K679 PolarHBondContact O-N 3.07Å; P677-K679 VanDerWaalsContact O-N 3.14Å; K679-R681 PolarHBondContact O-N 3.25Å
680K33.4Very low38.5Very low209 Ų209156.4 Ų156.491%0.90980%0.803SS**  trans-66.586.4162.4-81.1-174.4178.1174.90108.6E678 K682E678-K680 PolarHBondContact O-N 3.36Å; K680-K682 PolarHBondContact O-N 3.27Å
681R30.3Very low37.4Very low232 Ų232159.4 Ų159.488%0.87582%0.817SS**  trans-62101.3159.1-75.6179.5171-177.2-1.5108.7K679K679-R681 PolarHBondContact O-N 3.25Å
682K34.3Very low36.5Very low189 Ų189165.4 Ų165.482%0.82284%0.842SS**  trans-151.298.1152.8-71.4-167.9175.3177.50105.8K680K680-K682 PolarHBondContact O-N 3.27Å
683S30.7Very low35.6Very low111 Ų111171.6 Ų171.678%0.77686%0.859SS**  40.980.883.675.80000112.8
684L33.6Very low34.9Very low248 Ų248171.4 Ų171.4100%1.29885%0.852SS**  -173.90129.1-95.6161.7000109.5

Retrieved 684 of 684 residues in 240 ms (Link to these results)

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