A0A077ZFK0_TRITR Loading...

UDP-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZFK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 517 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
1M88.3Confident80.9Confident13 Ų1319.8 Ų19.86%0.06412%0.118CC..  01230-175.8154.5176.200109.4L29 V31 V123 D125 A132 I135M1-L29 WeakPolarHBondContact CA-O 3.41Å; M1-L29 HydrophobicContact CB-CB 4.23Å; M1-L29 HydrophobicContact CG-CB 4.32Å; M1-L29 WeakPolarHBondContact CG-O 3.47Å; M1-L29 HydrophobicContact SD-CB 4.43Å; M1-V31 HydrophobicContact CE-CB 4.32Å; M1-V31 HydrophobicContact CE-CG2 3.77Å; M1-V123 PolarHBondContact N-O 2.89Å; M1-D125 WeakPolarHBondContact O-CB 3.39Å; M1-D125 PolarHBondContact O-N 3.47Å; M1-A132 HydrophobicContact CB-CB 4.1Å; M1-A132 HydrophobicContact CE-CB 3.86Å; M1-A132 HydrophobicContact CG-CB 3.65Å; M1-A132 VanDerWaalsContact SD-CA 3.54Å; M1-A132 HydrophobicContact SD-CB 3.38Å; M1-A132 WeakPolarHBondContact SD-CB 3.09Å; M1-I135 HydrophobicContact CE-CD1 3.64Å; M1-I135 HydrophobicContact SD-CD1 3.95Å
2N80.8Confident81.6Confident9 Ų919.1 Ų19.15%0.04811%0.113CC..BIsolated β-bridgetrans-104.5158.6-176.955.9-33.8000111.7D9 M12 L29 Q30N2-D9 WeakPolarHBondContact CB-OD1 3.35Å; N2-D9 PolarHBondContact ND2-OD1 3.03Å; N2-D9 PolarHBondContact ND2-OD2 2.99Å; N2-M12 HydrophobicContact CB-CB 4.21Å; N2-M12 HydrophobicContact CB-CG 4.02Å; N2-L29 PolarHBondContact N-O 3.34Å; N2-L29 PolarHBondContact OD1-O 2.89Å; N2-Q30 VanDerWaalsContact ND2-CD 3.26Å; N2-Q30 PolarHBondContact ND2-NE2 2.94Å; N2-Q30 WeakPolarHBondContact OD1-CB 3.32Å; N2-Q30 WeakPolarHBondContact OD1-CG 3.32Å
3T72.8Confident82.1Confident30 Ų3019 Ų1918%0.18411%0.11CC..  trans-90.7-16.7-174.644.60000114.3P5 H8 D125 N129T3-P5 WeakPolarHBondContact O-CD 3.35Å; T3-P5 WeakPolarHBondContact OG1-CD 3.37Å; T3-H8 WeakPolarHBondContact OG1-CB 3.42Å; T3-H8 PolarHBondContact OG1-ND1 3.07Å; T3-D125 HydrophobicContact CG2-CB 4.37Å; T3-D125 WeakPolarHBondContact CG2-OD2 3.22Å; T3-D125 PolarHBondContact OG1-OD2 3.33Å; T3-N129 HydrophobicContact CG2-CB 3.68Å; T3-N129 VanDerWaalsContact CG2-ND2 3.34Å; T3-N129 WeakPolarHBondContact CG2-ND2 3.49Å
4G69.3Low82.3Confident7 Ų720.1 Ų20.17%0.07211%0.114CC..SBendtrans111.3-36.9179.700000116.8Y6 D9G4-Y6 PolarHBondContact O-N 3.27Å; G4-D9 WeakPolarHBondContact CA-OD1 3.11Å; G4-D9 PolarHBondContact N-OD1 3.13Å; G4-D9 VanDerWaalsContact N-OD1 3.12Å
5P76.9Confident82.8Confident30 Ų3019.3 Ų19.320%0.19511%0.109CC..SBendtrans-60.6139.9175.1-24.234.1000112.1T3 S7 H8 D9 F36T3-P5 WeakPolarHBondContact O-CD 3.35Å; T3-P5 WeakPolarHBondContact OG1-CD 3.37Å; P5-S7 VanDerWaalsContact C-N 3.29Å; P5-S7 PolarHBondContact O-N 2.94Å; P5-S7 VanDerWaalsContact O-N 3.11Å; P5-H8 WeakPolarHBondContact O-CB 3.45Å; P5-H8 PolarHBondContact O-N 3.33Å; P5-D9 PolarHBondContact O-N 2.99Å; P5-F36 HydrophobicContact CB-CE2 4.28Å; P5-F36 HydrophobicContact CG-CE2 4.36Å
6Y78.7Confident83.4Confident30 Ų3018.3 Ų18.312%0.11810%0.104CC..Hα-helixtrans-47.7-45.4-175.2173.8-93.4000114.3G4 H8 D9 A10 M38 T39 L40 P41 W337G4-Y6 PolarHBondContact O-N 3.27Å; Y6-H8 VanDerWaalsContact C-N 3.34Å; Y6-H8 PolarHBondContact O-N 3.14Å; Y6-D9 PolarHBondContact O-N 3.43Å; Y6-A10 WeakPolarHBondContact O-CB 3.27Å; Y6-A10 PolarHBondContact O-N 3.09Å; Y6-M38 HydrophobicContact CD1-CE 3.89Å; Y6-M38 HydrophobicContact CD2-CB 3.69Å; Y6-M38 HydrophobicContact CD2-CE 3.76Å; Y6-M38 HydrophobicContact CD2-SD 4.16Å; Y6-M38 HydrophobicContact CE1-CE 4.15Å; Y6-M38 HydrophobicContact CE2-CB 4.34Å; Y6-M38 HydrophobicContact CE2-CE 4Å; Y6-M38 HydrophobicContact CG-CB 4.35Å; Y6-M38 HydrophobicContact CG-CE 3.69Å; Y6-M38 HydrophobicContact CG-SD 3.93Å; Y6-T39 WeakPolarHBondContact CE2-O 3.44Å; Y6-L40 HydrophobicContact CD2-CD2 3.81Å; Y6-L40 HydrophobicContact CE2-CD2 4.02Å; Y6-P41 WeakPolarHBondContact OH-CD 3.35Å; Y6-W337 PolarHBondContact OH-NE1 3.4Å
7S80Confident83.8Confident45 Ų4517.4 Ų17.432%0.31510%0.099SC..Hα-helixtrans-66.4-35.6-178.149.50000112.8P5 M11P5-S7 VanDerWaalsContact C-N 3.29Å; P5-S7 PolarHBondContact O-N 2.94Å; P5-S7 VanDerWaalsContact O-N 3.11Å; S7-M11 WeakPolarHBondContact O-CB 3.43Å; S7-M11 PolarHBondContact O-N 3.08Å
8H86.4Confident84Confident14 Ų1417.1 Ų17.17%0.06510%0.097CC..Hα-helixtrans-72.4-44.4177.8-68.6-114.9000110.5T3 P5 Y6 M11 M12 D125 N148 Y149T3-H8 WeakPolarHBondContact OG1-CB 3.42Å; T3-H8 PolarHBondContact OG1-ND1 3.07Å; P5-H8 WeakPolarHBondContact O-CB 3.45Å; P5-H8 PolarHBondContact O-N 3.33Å; Y6-H8 VanDerWaalsContact C-N 3.34Å; Y6-H8 PolarHBondContact O-N 3.14Å; H8-M11 PolarHBondContact O-N 3.27Å; H8-M12 VanDerWaalsContact O-CG 3.32Å; H8-M12 WeakPolarHBondContact O-CG 3.37Å; H8-M12 PolarHBondContact O-N 2.78Å; H8-D125 WeakPolarHBondContact CB-OD2 3.35Å; H8-D125 IonicContact CE1-OD2 3.59Å; H8-D125 IonicContact CG-OD2 3.44Å; H8-D125 IonicContact ND1-OD1 3.75Å; H8-D125 IonicContact ND1-OD2 3.94Å; H8-D125 PolarHBondContact ND1-OD2 3.19Å; H8-N148 VanDerWaalsContact CE1-CB 3.43Å; H8-N148 WeakPolarHBondContact CE1-CB 3.3Å; H8-N148 PolarHBondContact NE2-ND2 3.25Å; H8-Y149 AromaticContact CE1-CE2 3.67Å
9D86.1Confident84.4Confident13 Ų1316.8 Ų16.87%0.0710%0.095CC..Hα-helixtrans-62.1-43.9176.1-74.912.6000111.4N2 G4 P5 Y6 M12 Q13 Q30 L40N2-D9 WeakPolarHBondContact CB-OD1 3.35Å; N2-D9 PolarHBondContact ND2-OD1 3.03Å; N2-D9 PolarHBondContact ND2-OD2 2.99Å; G4-D9 WeakPolarHBondContact CA-OD1 3.11Å; G4-D9 PolarHBondContact N-OD1 3.13Å; G4-D9 VanDerWaalsContact N-OD1 3.12Å; P5-D9 PolarHBondContact O-N 2.99Å; Y6-D9 PolarHBondContact O-N 3.43Å; D9-M12 PolarHBondContact O-N 2.99Å; D9-Q13 WeakPolarHBondContact O-CB 3.4Å; D9-Q13 PolarHBondContact O-N 3.02Å; D9-Q30 PolarHBondContact OD1-NE2 3.13Å; D9-Q30 PolarHBondContact OD2-NE2 3.42Å; D9-L40 HydrophobicContact CB-CD1 4Å; D9-L40 HydrophobicContact CB-CD2 3.67Å; D9-L40 HydrophobicContact CB-CG 4.42Å
10A83.9Confident84.8Confident10 Ų1021 Ų218%0.08311%0.11CC..Hα-helixtrans-63.4-44.117600000112Y6 M12 Q13 H14 L40Y6-A10 WeakPolarHBondContact O-CB 3.27Å; Y6-A10 PolarHBondContact O-N 3.09Å; A10-M12 PolarHBondContact O-N 3.43Å; A10-Q13 PolarHBondContact O-N 3.4Å; A10-H14 PolarHBondContact O-CD2 2.64Å; A10-H14 PolarHBondContact O-N 3.19Å; A10-L40 HydrophobicContact CB-CD2 4.22Å
11M86.4Confident84.9Confident17 Ų1722.8 Ų22.88%0.08412%0.119CC..Hα-helixtrans-56.9-49.7174.3178.9-1737300111S7 H8 Q13 H14 I15 N148 L252S7-M11 WeakPolarHBondContact O-CB 3.43Å; S7-M11 PolarHBondContact O-N 3.08Å; H8-M11 PolarHBondContact O-N 3.27Å; M11-Q13 PolarHBondContact O-N 3.3Å; M11-H14 PolarHBondContact O-N 3.34Å; M11-I15 HydrophobicContact CG-CD1 3.92Å; M11-I15 WeakPolarHBondContact O-CD1 3.37Å; M11-I15 WeakPolarHBondContact O-CG1 3.33Å; M11-I15 PolarHBondContact O-N 3.47Å; M11-I15 VanDerWaalsContact O-N 3.1Å; M11-N148 HydrophobicContact CE-CB 4.25Å; M11-N148 HydrophobicContact SD-CB 4.19Å; M11-L252 HydrophobicContact CG-CD1 3.93Å; M11-L252 HydrophobicContact SD-CD1 4.23Å
12M89.8Confident84.9Confident11 Ų1124.3 Ų24.35%0.05413%0.126CC..Hα-helixtrans-67.5-36.5-178-69.1-57.7-62.600112.7N2 H8 D9 A10 I15 A16 V123 D125N2-M12 HydrophobicContact CB-CB 4.21Å; N2-M12 HydrophobicContact CB-CG 4.02Å; H8-M12 VanDerWaalsContact O-CG 3.32Å; H8-M12 WeakPolarHBondContact O-CG 3.37Å; H8-M12 PolarHBondContact O-N 2.78Å; D9-M12 PolarHBondContact O-N 2.99Å; A10-M12 PolarHBondContact O-N 3.43Å; M12-I15 PolarHBondContact O-N 2.57Å; M12-I15 HydrophobicContact SD-CD1 4.17Å; M12-A16 WeakPolarHBondContact O-CB 3.49Å; M12-A16 PolarHBondContact O-N 2.9Å; M12-V123 HydrophobicContact CE-CB 4.24Å; M12-V123 HydrophobicContact CE-CG1 3.88Å; M12-D125 HydrophobicContact CG-CB 4.49Å; M12-D125 HydrophobicContact SD-CB 4.42Å
13Q88.2Confident85.4Confident18 Ų1834.6 Ų34.68%0.08416%0.164CC..Hα-helixtrans-64.5-39.7174.3-170.6-175.5-78.500111.7D9 A10 M11 A16 D17 P41 S43D9-Q13 WeakPolarHBondContact O-CB 3.4Å; D9-Q13 PolarHBondContact O-N 3.02Å; A10-Q13 PolarHBondContact O-N 3.4Å; M11-Q13 PolarHBondContact O-N 3.3Å; Q13-A16 WeakPolarHBondContact O-CB 3.49Å; Q13-A16 PolarHBondContact O-N 3.1Å; Q13-D17 PolarHBondContact O-N 2.91Å; Q13-P41 PolarHBondContact NE2-O 3.05Å; Q13-S43 VanDerWaalsContact CG-OG 3.23Å; Q13-S43 WeakPolarHBondContact CG-OG 3.09Å; Q13-S43 PolarHBondContact NE2-OG 3.35Å
14H85.3Confident86.4Confident35 Ų3536.6 Ų36.616%0.16217%0.169CC..Hα-helixtrans-64.8-42.7176.1-72.5-42.7000112.5A10 M11 A16 D17 D18 W257A10-H14 PolarHBondContact O-CD2 2.64Å; A10-H14 PolarHBondContact O-N 3.19Å; M11-H14 PolarHBondContact O-N 3.34Å; H14-A16 VanDerWaalsContact C-N 3.26Å; H14-A16 PolarHBondContact O-N 3.13Å; H14-D17 PolarHBondContact O-N 3.18Å; H14-D18 VanDerWaalsContact O-CG 3.25Å; H14-D18 PolarHBondContact O-N 3.49Å; H14-W257 AromaticContact NE2-CZ2 3.99Å
15I89.1Confident87.6Confident7 Ų744.1 Ų44.14%0.03620%0.199CC..Hα-helixtrans-62.2-38.7174.5-65.5156.7000110.4M11 M12 D18 L19 L146 P464 I468M11-I15 HydrophobicContact CG-CD1 3.92Å; M11-I15 WeakPolarHBondContact O-CD1 3.37Å; M11-I15 WeakPolarHBondContact O-CG1 3.33Å; M11-I15 PolarHBondContact O-N 3.47Å; M11-I15 VanDerWaalsContact O-N 3.1Å; M12-I15 PolarHBondContact O-N 2.57Å; M12-I15 HydrophobicContact SD-CD1 4.17Å; I15-D18 PolarHBondContact O-N 3.01Å; I15-L19 HydrophobicContact CG2-CD1 4.01Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.27Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 3.07Å; I15-L146 HydrophobicContact CD1-CD1 3.36Å; I15-L146 HydrophobicContact CG1-CD1 4.43Å; I15-P464 HydrophobicContact CD1-CB 4.31Å; I15-P464 HydrophobicContact CG1-CB 3.96Å; I15-P464 HydrophobicContact CG1-CG 4.29Å; I15-I468 HydrophobicContact CG2-CD1 3.46Å; I15-I468 VanDerWaalsContact CG2-CD1 3.46Å
16A91.9Very high88.5Confident3 Ų343.8 Ų43.83%0.02520%0.197CC..Hα-helixtrans-62-43.5175.400000112.4M12 Q13 H14 D18 L19 Y20 V26 L28 H47M12-A16 WeakPolarHBondContact O-CB 3.49Å; M12-A16 PolarHBondContact O-N 2.9Å; Q13-A16 WeakPolarHBondContact O-CB 3.49Å; Q13-A16 PolarHBondContact O-N 3.1Å; H14-A16 VanDerWaalsContact C-N 3.26Å; H14-A16 PolarHBondContact O-N 3.13Å; A16-D18 VanDerWaalsContact C-N 3.34Å; A16-D18 PolarHBondContact O-N 3.48Å; A16-L19 PolarHBondContact O-N 3.31Å; A16-Y20 WeakPolarHBondContact O-CB 3.4Å; A16-Y20 PolarHBondContact O-N 3.17Å; A16-V26 HydrophobicContact CB-CB 4.36Å; A16-V26 HydrophobicContact CB-CG1 3.62Å; A16-L28 HydrophobicContact CB-CD2 3.94Å; A16-H47 PolarHBondContact O-CE1 3.32Å
17D90.2Very high89.3Confident4 Ų444.2 Ų44.22%0.02120%0.199CC..Hα-helixtrans-58.9-45173.7-78.1-17.5000111.5Q13 H14 L19 Y20 D21 S43 R44 Y45 H47Q13-D17 PolarHBondContact O-N 2.91Å; H14-D17 PolarHBondContact O-N 3.18Å; D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.38Å; D17-Y20 WeakPolarHBondContact O-CB 3.43Å; D17-Y20 PolarHBondContact O-N 2.88Å; D17-D21 PolarHBondContact O-N 2.96Å; D17-D21 VanDerWaalsContact O-N 3.1Å; D17-S43 VanDerWaalsContact CG-OG 3.31Å; D17-S43 PolarHBondContact OD1-OG 2.65Å; D17-S43 PolarHBondContact OD2-OG 3.13Å; D17-R44 HydrophobicContact CB-CB 4.37Å; D17-R44 PolarHBondContact OD1-N 3.14Å; D17-R44 PolarHBondContact OD2-N 3.24Å; D17-R44 IonicContact OD2-NE 3.76Å; D17-Y45 HydrophobicContact CB-CD2 4.4Å; D17-Y45 PolarHBondContact OD1-N 3.17Å; D17-H47 PolarHBondContact N-NE2 3.23Å; D17-H47 IonicContact OD1-CD2 2.85Å; D17-H47 IonicContact OD1-CE1 2.74Å; D17-H47 IonicContact OD1-NE2 3.25Å; D17-H47 PolarHBondContact OD1-NE2 3.12Å
18D88.3Confident90Very high11 Ų1143.1 Ų43.16%0.05919%0.19CC..Hα-helixtrans-70.9-27.1-178.7-61.4-17.9000113.4H14 I15 A16 R44 T462 A465H14-D18 VanDerWaalsContact O-CG 3.25Å; H14-D18 PolarHBondContact O-N 3.49Å; I15-D18 PolarHBondContact O-N 3.01Å; A16-D18 VanDerWaalsContact C-N 3.34Å; A16-D18 PolarHBondContact O-N 3.48Å; D18-R44 IonicContact OD1-NH2 3.56Å; D18-R44 PolarHBondContact OD1-NH2 3.44Å; D18-T462 VanDerWaalsContact OD2-CB 3.31Å; D18-T462 WeakPolarHBondContact OD2-CB 3.32Å; D18-T462 WeakPolarHBondContact OD2-CG2 3.47Å; D18-T462 PolarHBondContact OD2-OG1 2.88Å; D18-A465 HydrophobicContact CB-CB 3.61Å
19L91.5Very high90.4Very high13 Ų1342.8 Ų42.87%0.06819%0.189CC..Hα-helixtrans-76.2-35.9171.5-71.8174.6000111.4I15 A16 D17 D21 K22 R23 Y24 V26 A465 I468I15-L19 HydrophobicContact CG2-CD1 4.01Å; I15-L19 HydrophobicContact CG2-CG 4.31Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.27Å; I15-L19 WeakPolarHBondContact O-CG 3.34Å; I15-L19 PolarHBondContact O-N 3.07Å; A16-L19 PolarHBondContact O-N 3.31Å; D17-L19 VanDerWaalsContact C-N 3.33Å; D17-L19 PolarHBondContact O-N 3.38Å; L19-D21 VanDerWaalsContact C-N 3.3Å; L19-D21 PolarHBondContact O-N 3.49Å; L19-K22 CarbonylContact O-C 3.6Å; L19-K22 WeakPolarHBondContact O-CA 3.37Å; L19-K22 WeakPolarHBondContact O-CB 3.31Å; L19-K22 PolarHBondContact O-N 2.96Å; L19-R23 PolarHBondContact O-N 3.33Å; L19-Y24 HydrophobicContact CB-CD2 4.32Å; L19-Y24 HydrophobicContact CD2-CD2 4.08Å; L19-Y24 HydrophobicContact CD2-CE2 4.38Å; L19-Y24 WeakPolarHBondContact O-CB 3.41Å; L19-Y24 WeakPolarHBondContact O-CD2 3.36Å; L19-Y24 PolarHBondContact O-N 3.01Å; L19-Y24 VanDerWaalsContact O-N 3.16Å; L19-V26 HydrophobicContact CB-CG2 3.8Å; L19-A465 HydrophobicContact CD2-CB 4.33Å; L19-I468 HydrophobicContact CD1-CD1 4.29Å; L19-I468 HydrophobicContact CD1-CG2 4.07Å; L19-I468 HydrophobicContact CD2-CB 4.01Å; L19-I468 HydrophobicContact CD2-CG2 3.64Å; L19-I468 HydrophobicContact CG-CG2 4.48Å
20Y91.4Very high90.7Very high99 Ų9942.2 Ų42.239%0.38819%0.185SC..Hα-helixtrans-62.9-38.6174.6-167.8-78.3000111.7A16 D17 K22 R23 Y45A16-Y20 WeakPolarHBondContact O-CB 3.4Å; A16-Y20 PolarHBondContact O-N 3.17Å; D17-Y20 WeakPolarHBondContact O-CB 3.43Å; D17-Y20 PolarHBondContact O-N 2.88Å; Y20-K22 PolarHBondContact O-N 3.38Å; Y20-R23 WeakPolarHBondContact O-CA 3.18Å; Y20-R23 PolarHBondContact O-N 3.09Å; Y20-Y45 AromaticContact CD1-CD1 3.38Å; Y20-Y45 HydrophobicContact CD1-CD1 3.38Å; Y20-Y45 AromaticContact CD1-CD2 3.48Å; Y20-Y45 HydrophobicContact CD1-CD2 3.48Å; Y20-Y45 VanDerWaalsContact CD1-CD2 3.48Å; Y20-Y45 AromaticContact CD1-CE1 3.49Å; Y20-Y45 HydrophobicContact CD1-CE1 3.49Å; Y20-Y45 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y45 AromaticContact CD1-CE2 3.58Å; Y20-Y45 HydrophobicContact CD1-CE2 3.58Å; Y20-Y45 AromaticContact CD1-CG 3.37Å; Y20-Y45 HydrophobicContact CD1-CG 3.37Å; Y20-Y45 AromaticContact CD1-CZ 3.6Å; Y20-Y45 HydrophobicContact CD2-CG 4.22Å; Y20-Y45 AromaticContact CE1-CD1 3.27Å; Y20-Y45 HydrophobicContact CE1-CD1 3.27Å; Y20-Y45 HydrophobicContact CE1-CD2 4.27Å; Y20-Y45 AromaticContact CE1-CE1 3.44Å; Y20-Y45 HydrophobicContact CE1-CE1 3.44Å; Y20-Y45 VanDerWaalsContact CE1-CE1 3.44Å; Y20-Y45 HydrophobicContact CE1-CE2 4.4Å; Y20-Y45 AromaticContact CE1-CG 3.72Å; Y20-Y45 HydrophobicContact CE1-CG 3.72Å; Y20-Y45 HydrophobicContact CE2-CG 4.49Å; Y20-Y45 HydrophobicContact CG-CD1 4.12Å; Y20-Y45 AromaticContact CG-CD2 3.68Å; Y20-Y45 HydrophobicContact CG-CD2 3.68Å; Y20-Y45 HydrophobicContact CG-CE2 4.15Å; Y20-Y45 AromaticContact CG-CG 3.65Å; Y20-Y45 HydrophobicContact CG-CG 3.65Å; Y20-Y45 AromaticContact CZ-CD1 3.92Å
21D88.7Confident91.2Very high59 Ų5942.2 Ų42.232%0.31618%0.184SC..Hα-helixtrans-56.3-31.2171-73.4-19.7000112.5D17 L19 R23 R44 Y45D17-D21 PolarHBondContact O-N 2.96Å; D17-D21 VanDerWaalsContact O-N 3.1Å; L19-D21 VanDerWaalsContact C-N 3.3Å; L19-D21 PolarHBondContact O-N 3.49Å; D21-R23 PolarHBondContact O-N 3.44Å; D21-R44 VanDerWaalsContact CG-NH1 3.35Å; D21-R44 IonicContact OD1-CZ 2.78Å; D21-R44 IonicContact OD1-NH1 3.73Å; D21-R44 PolarHBondContact OD1-NH1 3.18Å; D21-R44 IonicContact OD1-NH2 3.55Å; D21-R44 IonicContact OD2-CZ 3.71Å; D21-R44 IonicContact OD2-NH1 2.9Å; D21-R44 PolarHBondContact OD2-NH1 3.01Å; D21-R44 IonicContact OD2-NH2 3.79Å; D21-R44 PolarHBondContact OD2-NH2 3.22Å; D21-Y45 WeakPolarHBondContact OD1-CE2 3.37Å; D21-Y45 PolarHBondContact OD1-OH 2.88Å
22K87.9Confident91.5Very high45 Ų4543.6 Ų43.620%0.19619%0.189CC..THydrogen-bonded Turntrans-84.815173.4-68.8-150.8-168.976.90114.3L19 Y20 Y24 T461 A465 D469L19-K22 CarbonylContact O-C 3.6Å; L19-K22 WeakPolarHBondContact O-CA 3.37Å; L19-K22 WeakPolarHBondContact O-CB 3.31Å; L19-K22 PolarHBondContact O-N 2.96Å; Y20-K22 PolarHBondContact O-N 3.38Å; K22-Y24 HydrophobicContact CB-CD2 3.76Å; K22-Y24 HydrophobicContact CB-CE2 3.9Å; K22-Y24 HydrophobicContact CD-CE2 4.49Å; K22-Y24 PolarHBondContact O-N 3.41Å; K22-T461 VanDerWaalsContact CE-CG2 3.43Å; K22-A465 VanDerWaalsContact NZ-CB 3.26Å; K22-A465 PolarHBondContact NZ-O 3.13Å; K22-D469 HydrophobicContact CD-CB 3.68Å
23R91.5Very high91.7Very high226 Ų22643.5 Ų43.585%0.85319%0.189SC*.THydrogen-bonded Turntrans67.217.8178.8-49.6-60.6-169.2165.61.8114.7L19 Y20 D21L19-R23 PolarHBondContact O-N 3.33Å; Y20-R23 WeakPolarHBondContact O-CA 3.18Å; Y20-R23 PolarHBondContact O-N 3.09Å; D21-R23 PolarHBondContact O-N 3.44Å
24Y93.6Very high91.7Very high71 Ų7143.4 Ų43.428%0.27819%0.188SC..  trans-75.1139.2169.5-70.2-79.2000110.6L19 K22 D469 A472L19-Y24 HydrophobicContact CB-CD2 4.32Å; L19-Y24 HydrophobicContact CD2-CD2 4.08Å; L19-Y24 HydrophobicContact CD2-CE2 4.38Å; L19-Y24 WeakPolarHBondContact O-CB 3.41Å; L19-Y24 WeakPolarHBondContact O-CD2 3.36Å; L19-Y24 PolarHBondContact O-N 3.01Å; L19-Y24 VanDerWaalsContact O-N 3.16Å; K22-Y24 HydrophobicContact CB-CD2 3.76Å; K22-Y24 HydrophobicContact CB-CE2 3.9Å; K22-Y24 HydrophobicContact CD-CE2 4.49Å; K22-Y24 PolarHBondContact O-N 3.41Å; Y24-D469 HydrophobicContact CE2-CB 4.26Å; Y24-D469 PolarHBondContact OH-OD1 3.32Å; Y24-A472 HydrophobicContact CE1-CB 4.28Å
25K94.6Very high91.8Very high165 Ų16545.2 Ų45.272%0.71720%0.199SC*.  trans-81.2113.7164.4-173.7-177.8-176.9-173.20107.9F27K25-F27 HydrophobicContact CD-CE2 3.9Å; K25-F27 HydrophobicContact CD-CZ 4.22Å; K25-F27 VanDerWaalsContact CE-CZ 3.47Å; K25-F27 HydrophobicContact CG-CE2 3.97Å
26V95.5Very high91.3Very high23 Ų2346.8 Ų46.814%0.13921%0.205CC..  trans-108.8132.6-172.7-170.80000110.9A16 L19A16-V26 HydrophobicContact CB-CB 4.36Å; A16-V26 HydrophobicContact CB-CG1 3.62Å; L19-V26 HydrophobicContact CB-CG2 3.8Å
27F95.3Very high90.7Very high40 Ų4053.7 Ų53.718%0.17524%0.242CC..  trans-113.9134.9170.7-67.1-95.8000109.8K25 L29 P48 L50 A117 L119K25-F27 HydrophobicContact CD-CE2 3.9Å; K25-F27 HydrophobicContact CD-CZ 4.22Å; K25-F27 VanDerWaalsContact CE-CZ 3.47Å; K25-F27 HydrophobicContact CG-CE2 3.97Å; F27-L29 HydrophobicContact CB-CD1 3.91Å; F27-P48 WeakPolarHBondContact CA-O 3.37Å; F27-P48 HydrophobicContact CD1-CB 3.72Å; F27-P48 HydrophobicContact CD1-CG 4.28Å; F27-P48 HydrophobicContact CE1-CB 3.91Å; F27-P48 HydrophobicContact CE1-CG 4.18Å; F27-L50 HydrophobicContact CB-CD1 4.46Å; F27-L50 HydrophobicContact CD1-CD1 4.15Å; F27-L50 HydrophobicContact CD1-CD2 4.33Å; F27-L50 HydrophobicContact CD1-CG 4.21Å; F27-A117 HydrophobicContact CD1-CB 4.04Å; F27-A117 HydrophobicContact CD2-CB 4.29Å; F27-A117 HydrophobicContact CE1-CB 3.92Å; F27-A117 HydrophobicContact CE2-CB 4.15Å; F27-A117 HydrophobicContact CG-CB 4.22Å; F27-A117 HydrophobicContact CZ-CB 3.96Å; F27-L119 HydrophobicContact CB-CD2 4.07Å; F27-L119 HydrophobicContact CD2-CD2 3.7Å; F27-L119 HydrophobicContact CE2-CD2 4.42Å; F27-L119 HydrophobicContact CG-CD2 4.09Å
28L94.1Very high90Very high22 Ų2255.9 Ų55.912%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-93.9104.6173.6-66.2177.4000109.4A16 H47 P48 T49 L50A16-L28 HydrophobicContact CB-CD2 3.94Å; L28-H47 HydrophobicContact CD1-CB 3.92Å; L28-H47 HydrophobicContact CG-CB 4Å; L28-P48 PolarHBondContact N-O 3.47Å; L28-T49 HydrophobicContact CB-CG2 4.23Å; L28-T49 CarbonylContact O-C 3.19Å; L28-T49 VanDerWaalsContact O-CA 3.31Å; L28-T49 WeakPolarHBondContact O-CA 3.49Å; L28-L50 PolarHBondContact O-N 2.93Å
29L94.5Very high89.4Confident7 Ų761.7 Ų61.74%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-88.1127.7175.3-79.968.4000109.9M1 N2 F27 L50 I114 L119M1-L29 WeakPolarHBondContact CA-O 3.41Å; M1-L29 HydrophobicContact CB-CB 4.23Å; M1-L29 HydrophobicContact CG-CB 4.32Å; M1-L29 WeakPolarHBondContact CG-O 3.47Å; M1-L29 HydrophobicContact SD-CB 4.43Å; N2-L29 PolarHBondContact N-O 3.34Å; N2-L29 PolarHBondContact OD1-O 2.89Å; F27-L29 HydrophobicContact CB-CD1 3.91Å; L29-L50 HydrophobicContact CD1-CD1 4.12Å; L29-L50 HydrophobicContact CG-CB 4.4Å; L29-L50 HydrophobicContact CG-CD1 4.39Å; L29-I114 HydrophobicContact CD2-CD1 4.23Å; L29-I114 HydrophobicContact CD2-CG1 4.2Å; L29-I114 HydrophobicContact CD2-CG2 4.33Å; L29-L119 HydrophobicContact CD1-CD1 3.78Å; L29-L119 HydrophobicContact CD2-CD1 3.67Å; L29-L119 HydrophobicContact CG-CD1 4.32Å
30Q93.5Very high88.7Confident1 Ų163.6 Ų63.61%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-140.8135.7-178.8-167.3171.630.100112.4N2 D9 R32 L50 R51 Y52 Y110N2-Q30 VanDerWaalsContact ND2-CD 3.26Å; N2-Q30 PolarHBondContact ND2-NE2 2.94Å; N2-Q30 WeakPolarHBondContact OD1-CB 3.32Å; N2-Q30 WeakPolarHBondContact OD1-CG 3.32Å; D9-Q30 PolarHBondContact OD1-NE2 3.13Å; D9-Q30 PolarHBondContact OD2-NE2 3.42Å; Q30-R32 HydrophobicContact CG-CB 4.35Å; Q30-L50 PolarHBondContact N-O 2.88Å; Q30-R51 HydrophobicContact CB-CB 4.47Å; Q30-R51 HydrophobicContact CB-CG 4.35Å; Q30-R51 CarbonylContact O-C 3.59Å; Q30-R51 WeakPolarHBondContact O-CA 3.34Å; Q30-Y52 PolarHBondContact O-N 3.31Å; Q30-Y110 PolarHBondContact O-OH 2.85Å
31V94Very high87.7Confident10 Ų1059.4 Ų59.46%0.06128%0.284CS..EExtended strand (participates in β ladder)trans-105.9100.5158.7176.40000106.2M1 V33 Y52 A100 A104 Y110 I135M1-V31 HydrophobicContact CE-CB 4.32Å; M1-V31 HydrophobicContact CE-CG2 3.77Å; V31-V33 HydrophobicContact CG1-CG2 4.36Å; V31-V33 PolarHBondContact O-N 3.09Å; V31-Y52 CarbonylContact C-O 3.6Å; V31-Y52 WeakPolarHBondContact CA-O 2.98Å; V31-Y52 HydrophobicContact CG1-CD1 4.34Å; V31-A100 HydrophobicContact CG1-CB 4.12Å; V31-A104 HydrophobicContact CG1-CB 4.16Å; V31-A104 HydrophobicContact CG2-CB 3.77Å; V31-Y110 HydrophobicContact CG2-CE1 4.17Å; V31-I135 HydrophobicContact CG2-CD1 4.47Å
32R92.9Very high87.3Confident45 Ų4565.8 Ų65.817%0.1731%0.309CS..EExtended strand (participates in β ladder)trans-81.6106-176.3-179.8166.772.4160.12.6109.1Q30 D35 R51 Y52 D53 Y54 S55Q30-R32 HydrophobicContact CG-CB 4.35Å; R32-D35 IonicContact CZ-OD2 3.5Å; R32-D35 IonicContact NH1-OD1 3.65Å; R32-D35 IonicContact NH1-OD2 2.76Å; R32-D35 PolarHBondContact NH1-OD2 3.14Å; R32-D35 IonicContact NH2-OD2 2.81Å; R32-R51 HydrophobicContact CB-CG 4.15Å; R32-Y52 PolarHBondContact N-O 3.32Å; R32-D53 IonicContact CZ-OD1 2.79Å; R32-D53 IonicContact CZ-OD2 3.96Å; R32-D53 VanDerWaalsContact NE-CG 3.34Å; R32-D53 IonicContact NE-OD1 2.69Å; R32-D53 PolarHBondContact NE-OD1 3.11Å; R32-D53 IonicContact NE-OD2 3.77Å; R32-D53 PolarHBondContact NE-OD2 2.79Å; R32-D53 VanDerWaalsContact NH2-CG 3.33Å; R32-D53 IonicContact NH2-OD1 3.43Å; R32-D53 IonicContact NH2-OD2 3.56Å; R32-D53 PolarHBondContact NH2-OD2 3.24Å; R32-Y54 PolarHBondContact O-N 3.31Å; R32-S55 PolarHBondContact O-N 3.4Å
33V92.9Very high87Confident10 Ų1065 Ų656%0.06131%0.309CS..  trans-89.4-42.5179.4-171.60000111.6V31 S55 T59 V96 Q97 A100V31-V33 HydrophobicContact CG1-CG2 4.36Å; V31-V33 PolarHBondContact O-N 3.09Å; V33-S55 WeakPolarHBondContact O-CA 3.47Å; V33-T59 WeakPolarHBondContact O-CB 3.37Å; V33-T59 PolarHBondContact O-OG1 3.07Å; V33-V96 HydrophobicContact CG1-CG1 3.61Å; V33-Q97 HydrophobicContact CG1-CG 4.21Å; V33-Q97 HydrophobicContact CG2-CG 4.29Å; V33-A100 HydrophobicContact CB-CB 4.45Å; V33-A100 HydrophobicContact CG1-CB 4.2Å; V33-A100 HydrophobicContact CG2-CB 3.71Å
34F90Very high86.6Confident16 Ų1657.2 Ų57.27%0.0728%0.279CS..  trans-123.2131.4-177.9-52.5-70.6000109.6F36 T59 M63 L93 V96 Q97F34-F36 HydrophobicContact CB-CD2 4.43Å; F34-F36 HydrophobicContact CB-CE2 3.79Å; F34-F36 HydrophobicContact CB-CZ 4.06Å; F34-T59 WeakPolarHBondContact CD1-O 3.4Å; F34-T59 WeakPolarHBondContact CE1-O 3.27Å; F34-M63 HydrophobicContact CD1-CB 3.77Å; F34-M63 HydrophobicContact CD1-CG 4.36Å; F34-M63 HydrophobicContact CD1-SD 4.43Å; F34-M63 HydrophobicContact CE1-CB 4.18Å; F34-M63 HydrophobicContact CG-CB 4.41Å; F34-M63 HydrophobicContact CG-SD 4.29Å; F34-L93 HydrophobicContact CE1-CD2 4.11Å; F34-L93 HydrophobicContact CE2-CD2 4.12Å; F34-L93 HydrophobicContact CZ-CD2 3.55Å; F34-V96 HydrophobicContact CE1-CG1 4.26Å; F34-V96 HydrophobicContact CZ-CG1 4.36Å; F34-Q97 HydrophobicContact CE2-CG 4.29Å
35D86.8Confident86.3Confident72 Ų7257.5 Ų57.539%0.38528%0.281SS..  trans-96.9113170.3-162.7-22000109.7R32 N37R32-D35 IonicContact CZ-OD2 3.5Å; R32-D35 IonicContact NH1-OD1 3.65Å; R32-D35 IonicContact NH1-OD2 2.76Å; R32-D35 PolarHBondContact NH1-OD2 3.14Å; R32-D35 IonicContact NH2-OD2 2.81Å; D35-N37 VanDerWaalsContact C-N 3.29Å; D35-N37 PolarHBondContact OD1-N 2.69Å
36F79.4Confident85.9Confident40 Ų4054.4 Ų54.418%0.17529%0.285CS..  trans-86-0.2178.8-68.1-84.6000113P5 F34 M38 M63 T287P5-F36 HydrophobicContact CB-CE2 4.28Å; P5-F36 HydrophobicContact CG-CE2 4.36Å; F34-F36 HydrophobicContact CB-CD2 4.43Å; F34-F36 HydrophobicContact CB-CE2 3.79Å; F34-F36 HydrophobicContact CB-CZ 4.06Å; F36-M38 HydrophobicContact CB-CG 4.21Å; F36-M38 PolarHBondContact O-N 3.38Å; F36-M63 HydrophobicContact CE1-CE 3.78Å; F36-M63 HydrophobicContact CE1-CG 4.04Å; F36-M63 HydrophobicContact CE1-SD 3.85Å; F36-M63 HydrophobicContact CZ-CE 4.14Å; F36-M63 HydrophobicContact CZ-CG 4.36Å; F36-M63 HydrophobicContact CZ-SD 3.79Å; F36-T287 HydrophobicContact CB-CG2 4.47Å; F36-T287 HydrophobicContact CD1-CG2 4.01Å; F36-T287 HydrophobicContact CG-CG2 4.22Å
37N78.7Confident85.6Confident148 Ų14854.2 Ų54.279%0.79128%0.283SS*.  trans50.838.4-174.2-163.927.9000112.6D35D35-N37 VanDerWaalsContact C-N 3.29Å; D35-N37 PolarHBondContact OD1-N 2.69Å
38M74.7Confident85.5Confident51 Ų5155.5 Ų55.525%0.25130%0.295SS..  trans-112.6129.5177.8-68.4-171.872.100109.8Y6 F36 T287Y6-M38 HydrophobicContact CD1-CE 3.89Å; Y6-M38 HydrophobicContact CD2-CB 3.69Å; Y6-M38 HydrophobicContact CD2-CE 3.76Å; Y6-M38 HydrophobicContact CD2-SD 4.16Å; Y6-M38 HydrophobicContact CE1-CE 4.15Å; Y6-M38 HydrophobicContact CE2-CB 4.34Å; Y6-M38 HydrophobicContact CE2-CE 4Å; Y6-M38 HydrophobicContact CG-CB 4.35Å; Y6-M38 HydrophobicContact CG-CE 3.69Å; Y6-M38 HydrophobicContact CG-SD 3.93Å; F36-M38 HydrophobicContact CB-CG 4.21Å; F36-M38 PolarHBondContact O-N 3.38Å; M38-T287 HydrophobicContact SD-CG2 3.38Å; M38-T287 WeakPolarHBondContact SD-CG2 3.31Å
39T76.2Confident85.4Confident132 Ų13257.6 Ų57.681%0.8131%0.309SS*.PPolyproline II helixtrans-82.3123.8173.547.50000110Y6Y6-T39 WeakPolarHBondContact CE2-O 3.44Å
40L75.8Confident85.4Confident53 Ų5358.3 Ų58.328%0.27731%0.313SS..PPolyproline II helixtrans-59.3151.5173.1-68.2177000110.6Y6 D9 A10Y6-L40 HydrophobicContact CD2-CD2 3.81Å; Y6-L40 HydrophobicContact CE2-CD2 4.02Å; D9-L40 HydrophobicContact CB-CD1 4Å; D9-L40 HydrophobicContact CB-CD2 3.67Å; D9-L40 HydrophobicContact CB-CG 4.42Å; A10-L40 HydrophobicContact CB-CD2 4.22Å
41P71.4Confident85.4Confident11 Ų1162.9 Ų62.97%0.07133%0.33CS..PPolyproline II helixtrans-47.8145.4167.2-28.638.3000111.6Y6 Q13 S43Y6-P41 WeakPolarHBondContact OH-CD 3.35Å; Q13-P41 PolarHBondContact NE2-O 3.05Å; P41-S43 PolarHBondContact O-N 3.05Å; P41-S43 VanDerWaalsContact O-N 3.09Å
42K79.2Confident85.4Confident194 Ų19464.8 Ų64.884%0.84334%0.336SS*.PPolyproline II helixtrans-56.7120.1172.2-173.1177.5179.5-179.70109.1
43S83.2Confident85.5Confident28 Ų2866.1 Ų66.120%0.19635%0.347CS..PPolyproline II helixtrans-71.7153.6174.8-145.40000110.5Q13 D17 P41 Y45 H47Q13-S43 VanDerWaalsContact CG-OG 3.23Å; Q13-S43 WeakPolarHBondContact CG-OG 3.09Å; Q13-S43 PolarHBondContact NE2-OG 3.35Å; D17-S43 VanDerWaalsContact CG-OG 3.31Å; D17-S43 PolarHBondContact OD1-OG 2.65Å; D17-S43 PolarHBondContact OD2-OG 3.13Å; P41-S43 PolarHBondContact O-N 3.05Å; P41-S43 VanDerWaalsContact O-N 3.09Å; S43-Y45 VanDerWaalsContact C-N 3.31Å; S43-Y45 VanDerWaalsContact CB-O 3.28Å; S43-Y45 WeakPolarHBondContact CB-O 3.24Å; S43-Y45 PolarHBondContact OG-O 2.65Å; S43-H47 PolarHBondContact OG-CD2 3.47Å
44R81.4Confident85.6Confident63 Ų6369 Ų6924%0.23836%0.357CS..SBendtrans-69.2-34.2173-66.1-169.7-74.2153.9-6112D17 D18 D21D17-R44 HydrophobicContact CB-CB 4.37Å; D17-R44 PolarHBondContact OD1-N 3.14Å; D17-R44 PolarHBondContact OD2-N 3.24Å; D17-R44 IonicContact OD2-NE 3.76Å; D18-R44 IonicContact OD1-NH2 3.56Å; D18-R44 PolarHBondContact OD1-NH2 3.44Å; D21-R44 VanDerWaalsContact CG-NH1 3.35Å; D21-R44 IonicContact OD1-CZ 2.78Å; D21-R44 IonicContact OD1-NH1 3.73Å; D21-R44 PolarHBondContact OD1-NH1 3.18Å; D21-R44 IonicContact OD1-NH2 3.55Å; D21-R44 IonicContact OD2-CZ 3.71Å; D21-R44 IonicContact OD2-NH1 2.9Å; D21-R44 PolarHBondContact OD2-NH1 3.01Å; D21-R44 IonicContact OD2-NH2 3.79Å; D21-R44 PolarHBondContact OD2-NH2 3.22Å
45Y88.1Confident85.8Confident77 Ų7769.9 Ų69.930%0.30237%0.365SS..SBendtrans-125152.3-178.5-55.7-74.5000111.2D17 Y20 D21 S43 H47D17-Y45 HydrophobicContact CB-CD2 4.4Å; D17-Y45 PolarHBondContact OD1-N 3.17Å; Y20-Y45 AromaticContact CD1-CD1 3.38Å; Y20-Y45 HydrophobicContact CD1-CD1 3.38Å; Y20-Y45 AromaticContact CD1-CD2 3.48Å; Y20-Y45 HydrophobicContact CD1-CD2 3.48Å; Y20-Y45 VanDerWaalsContact CD1-CD2 3.48Å; Y20-Y45 AromaticContact CD1-CE1 3.49Å; Y20-Y45 HydrophobicContact CD1-CE1 3.49Å; Y20-Y45 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y45 AromaticContact CD1-CE2 3.58Å; Y20-Y45 HydrophobicContact CD1-CE2 3.58Å; Y20-Y45 AromaticContact CD1-CG 3.37Å; Y20-Y45 HydrophobicContact CD1-CG 3.37Å; Y20-Y45 AromaticContact CD1-CZ 3.6Å; Y20-Y45 HydrophobicContact CD2-CG 4.22Å; Y20-Y45 AromaticContact CE1-CD1 3.27Å; Y20-Y45 HydrophobicContact CE1-CD1 3.27Å; Y20-Y45 HydrophobicContact CE1-CD2 4.27Å; Y20-Y45 AromaticContact CE1-CE1 3.44Å; Y20-Y45 HydrophobicContact CE1-CE1 3.44Å; Y20-Y45 VanDerWaalsContact CE1-CE1 3.44Å; Y20-Y45 HydrophobicContact CE1-CE2 4.4Å; Y20-Y45 AromaticContact CE1-CG 3.72Å; Y20-Y45 HydrophobicContact CE1-CG 3.72Å; Y20-Y45 HydrophobicContact CE2-CG 4.49Å; Y20-Y45 HydrophobicContact CG-CD1 4.12Å; Y20-Y45 AromaticContact CG-CD2 3.68Å; Y20-Y45 HydrophobicContact CG-CD2 3.68Å; Y20-Y45 HydrophobicContact CG-CE2 4.15Å; Y20-Y45 AromaticContact CG-CG 3.65Å; Y20-Y45 HydrophobicContact CG-CG 3.65Å; Y20-Y45 AromaticContact CZ-CD1 3.92Å; D21-Y45 WeakPolarHBondContact OD1-CE2 3.37Å; D21-Y45 PolarHBondContact OD1-OH 2.88Å; S43-Y45 VanDerWaalsContact C-N 3.31Å; S43-Y45 VanDerWaalsContact CB-O 3.28Å; S43-Y45 WeakPolarHBondContact CB-O 3.24Å; S43-Y45 PolarHBondContact OG-O 2.65Å; Y45-H47 PolarHBondContact O-CD2 3.46Å; Y45-H47 PolarHBondContact O-N 2.87Å
46A87Confident86.1Confident99 Ų9967.8 Ų67.882%0.81836%0.361SS*.  trans-77.7106.2170.200000108.9
47H88.8Confident86.8Confident20 Ų2071.5 Ų71.59%0.09339%0.389CS..  trans-94.4120.1174.9-58.6-66.6000109.9A16 D17 L28 S43 Y45 T49A16-H47 PolarHBondContact O-CE1 3.32Å; D17-H47 PolarHBondContact N-NE2 3.23Å; D17-H47 IonicContact OD1-CD2 2.85Å; D17-H47 IonicContact OD1-CE1 2.74Å; D17-H47 IonicContact OD1-NE2 3.25Å; D17-H47 PolarHBondContact OD1-NE2 3.12Å; L28-H47 HydrophobicContact CD1-CB 3.92Å; L28-H47 HydrophobicContact CG-CB 4Å; S43-H47 PolarHBondContact OG-CD2 3.47Å; Y45-H47 PolarHBondContact O-CD2 3.46Å; Y45-H47 PolarHBondContact O-N 2.87Å; H47-T49 PolarHBondContact O-N 2.95Å; H47-T49 VanDerWaalsContact O-N 3.14Å; H47-T49 PolarHBondContact O-OG1 3.38Å
48P92Very high87.5Confident67 Ų6771.1 Ų71.144%0.43538%0.383SS..  trans-56.2121.9172.6-24.133.8000110.5F27 L28F27-P48 WeakPolarHBondContact CA-O 3.37Å; F27-P48 HydrophobicContact CD1-CB 3.72Å; F27-P48 HydrophobicContact CD1-CG 4.28Å; F27-P48 HydrophobicContact CE1-CB 3.91Å; F27-P48 HydrophobicContact CE1-CG 4.18Å; L28-P48 PolarHBondContact N-O 3.47Å
49T91.9Very high88.5Confident66 Ų6669 Ų6941%0.40537%0.372SS..EExtended strand (participates in β ladder)trans-103.3110.6-178.1-58.90000109.7L28 H47 R51L28-T49 HydrophobicContact CB-CG2 4.23Å; L28-T49 CarbonylContact O-C 3.19Å; L28-T49 VanDerWaalsContact O-CA 3.31Å; L28-T49 WeakPolarHBondContact O-CA 3.49Å; H47-T49 PolarHBondContact O-N 2.95Å; H47-T49 VanDerWaalsContact O-N 3.14Å; H47-T49 PolarHBondContact O-OG1 3.38Å; T49-R51 HydrophobicContact CG2-CB 4.17Å; T49-R51 PolarHBondContact O-N 2.98Å
50L94.6Very high89.2Confident21 Ų2166.6 Ų66.611%0.1135%0.354CS..EExtended strand (participates in β ladder)trans-88.388.2175.1-49.6-176.3000108F27 L28 L29 Q30 K113 I114 A117F27-L50 HydrophobicContact CB-CD1 4.46Å; F27-L50 HydrophobicContact CD1-CD1 4.15Å; F27-L50 HydrophobicContact CD1-CD2 4.33Å; F27-L50 HydrophobicContact CD1-CG 4.21Å; L28-L50 PolarHBondContact O-N 2.93Å; L29-L50 HydrophobicContact CD1-CD1 4.12Å; L29-L50 HydrophobicContact CG-CB 4.4Å; L29-L50 HydrophobicContact CG-CD1 4.39Å; Q30-L50 PolarHBondContact N-O 2.88Å; L50-K113 HydrophobicContact CD2-CB 4.41Å; L50-I114 HydrophobicContact CD1-CG1 4.44Å; L50-A117 HydrophobicContact CD1-CB 3.73Å
51R93.5Very high90Very high97 Ų9766.9 Ų66.937%0.36636%0.361SS..EExtended strand (participates in β ladder)trans-104.3129.6-176.4-176.1179.1-68.4164.4-1111.6Q30 R32 T49Q30-R51 HydrophobicContact CB-CB 4.47Å; Q30-R51 HydrophobicContact CB-CG 4.35Å; Q30-R51 CarbonylContact O-C 3.59Å; Q30-R51 WeakPolarHBondContact O-CA 3.34Å; R32-R51 HydrophobicContact CB-CG 4.15Å; T49-R51 HydrophobicContact CG2-CB 4.17Å; T49-R51 PolarHBondContact O-N 2.98Å
52Y95Very high91.1Very high50 Ų5067.4 Ų67.420%0.19636%0.363CS..EExtended strand (participates in β ladder)trans-97.6124155.1-176-98.5000108.1Q30 V31 R32 Y54 A103 A104 Y110Q30-Y52 PolarHBondContact O-N 3.31Å; V31-Y52 CarbonylContact C-O 3.6Å; V31-Y52 WeakPolarHBondContact CA-O 2.98Å; V31-Y52 HydrophobicContact CG1-CD1 4.34Å; R32-Y52 PolarHBondContact N-O 3.32Å; Y52-Y54 HydrophobicContact CE1-CD2 4.03Å; Y52-A103 HydrophobicContact CE1-CB 3.97Å; Y52-A103 WeakPolarHBondContact OH-CB 3.24Å; Y52-A104 HydrophobicContact CD1-CB 3.5Å; Y52-A104 VanDerWaalsContact CD1-CB 3.5Å; Y52-A104 HydrophobicContact CD2-CB 4.39Å; Y52-A104 HydrophobicContact CE1-CB 3.98Å; Y52-A104 HydrophobicContact CG-CB 3.72Å; Y52-Y110 HydrophobicContact CD2-CG 4.29Å; Y52-Y110 HydrophobicContact CG-CG 4.41Å
53D94.2Very high91.6Very high73 Ų7359 Ų5939%0.3933%0.327SS..EExtended strand (participates in β ladder)trans-105.1112-177.7-170.419.9000110.6R32 S55R32-D53 IonicContact CZ-OD1 2.79Å; R32-D53 IonicContact CZ-OD2 3.96Å; R32-D53 VanDerWaalsContact NE-CG 3.34Å; R32-D53 IonicContact NE-OD1 2.69Å; R32-D53 PolarHBondContact NE-OD1 3.11Å; R32-D53 IonicContact NE-OD2 3.77Å; R32-D53 PolarHBondContact NE-OD2 2.79Å; R32-D53 VanDerWaalsContact NH2-CG 3.33Å; R32-D53 IonicContact NH2-OD1 3.43Å; R32-D53 IonicContact NH2-OD2 3.56Å; R32-D53 PolarHBondContact NH2-OD2 3.24Å; D53-S55 WeakPolarHBondContact OD1-CB 3.35Å; D53-S55 PolarHBondContact OD1-N 2.93Å; D53-S55 VanDerWaalsContact OD1-N 3.16Å; D53-S55 PolarHBondContact OD1-OG 3.1Å
54Y95.2Very high92Very high72 Ų7260.6 Ų60.628%0.28233%0.332SS..  trans-105.4-1.5175.9-167.1-98.3000111.7R32 Y52 T59 V96 A100 A103R32-Y54 PolarHBondContact O-N 3.31Å; Y52-Y54 HydrophobicContact CE1-CD2 4.03Å; Y54-T59 HydrophobicContact CD1-CG2 3.88Å; Y54-T59 HydrophobicContact CE1-CG2 4Å; Y54-V96 HydrophobicContact CE1-CG1 4.36Å; Y54-A100 HydrophobicContact CD1-CB 3.41Å; Y54-A100 VanDerWaalsContact CD1-CB 3.41Å; Y54-A100 HydrophobicContact CD2-CB 4.16Å; Y54-A100 HydrophobicContact CE1-CB 4.05Å; Y54-A100 HydrophobicContact CG-CB 3.48Å; Y54-A100 VanDerWaalsContact CG-CB 3.48Å; Y54-A103 HydrophobicContact CD2-CB 3.82Å; Y54-A103 HydrophobicContact CE2-CB 3.68Å
55S93.5Very high92.5Very high33 Ų3362.1 Ų62.123%0.23135%0.345CS..  trans-63.8140.4-178.567.40000111.2R32 V33 D53R32-S55 PolarHBondContact O-N 3.4Å; V33-S55 WeakPolarHBondContact O-CA 3.47Å; D53-S55 WeakPolarHBondContact OD1-CB 3.35Å; D53-S55 PolarHBondContact OD1-N 2.93Å; D53-S55 VanDerWaalsContact OD1-N 3.16Å; D53-S55 PolarHBondContact OD1-OG 3.1Å
56G94.1Very high92.7Very high29 Ų2958.7 Ų58.730%0.29933%0.332SS..  trans-173.6177.6-176.100000112.6E58 T59 L60G56-E58 VanDerWaalsContact C-N 3.27Å; G56-E58 PolarHBondContact O-N 3.24Å; G56-T59 PolarHBondContact N-OG1 3.44Å; G56-T59 PolarHBondContact O-N 3.07Å; G56-T59 VanDerWaalsContact O-N 3.15Å; G56-T59 PolarHBondContact O-OG1 3.29Å; G56-L60 WeakPolarHBondContact O-CB 3.41Å; G56-L60 PolarHBondContact O-N 3.16Å
57P94.5Very high92.9Very high118 Ų11855.1 Ų55.177%0.76630%0.299SS*.Hα-helixtrans-55.1-38.5-174.2-2735000114.2L60 S61P57-L60 PolarHBondContact O-N 3.24Å; P57-S61 PolarHBondContact O-N 2.89Å
58E94Very high93Very high140 Ų14055.3 Ų55.365%0.65430%0.303SS*.Hα-helixtrans-65.8-50.1177.5-174.2-176.2178.800111.8G56 L60 S61 V62G56-E58 VanDerWaalsContact C-N 3.27Å; G56-E58 PolarHBondContact O-N 3.24Å; E58-L60 PolarHBondContact O-N 3.43Å; E58-S61 WeakPolarHBondContact O-CB 3.46Å; E58-S61 PolarHBondContact O-N 3.17Å; E58-S61 VanDerWaalsContact O-N 3.15Å; E58-V62 PolarHBondContact O-N 3Å
59T94Very high93Very high5 Ų552.3 Ų52.33%0.03128%0.284CS..Hα-helixtrans-61-36.2177.6680000111.9V33 F34 Y54 G56 V62 M63 V96V33-T59 WeakPolarHBondContact O-CB 3.37Å; V33-T59 PolarHBondContact O-OG1 3.07Å; F34-T59 WeakPolarHBondContact CD1-O 3.4Å; F34-T59 WeakPolarHBondContact CE1-O 3.27Å; Y54-T59 HydrophobicContact CD1-CG2 3.88Å; Y54-T59 HydrophobicContact CE1-CG2 4Å; G56-T59 PolarHBondContact N-OG1 3.44Å; G56-T59 PolarHBondContact O-N 3.07Å; G56-T59 VanDerWaalsContact O-N 3.15Å; G56-T59 PolarHBondContact O-OG1 3.29Å; T59-V62 PolarHBondContact O-N 3.34Å; T59-M63 WeakPolarHBondContact O-CB 3.34Å; T59-M63 PolarHBondContact O-N 3.36Å; T59-V96 HydrophobicContact CG2-CG1 3.56Å
60L91.7Very high93Very high83 Ų8349.3 Ų49.344%0.43527%0.265SS..Hα-helixtrans-66.2-43.4176.6178.962.1000110.8G56 P57 E58 M63 Q64G56-L60 WeakPolarHBondContact O-CB 3.41Å; G56-L60 PolarHBondContact O-N 3.16Å; P57-L60 PolarHBondContact O-N 3.24Å; E58-L60 PolarHBondContact O-N 3.43Å; L60-M63 PolarHBondContact O-N 2.86Å; L60-Q64 HydrophobicContact CD1-CG 4.28Å; L60-Q64 HydrophobicContact CG-CG 4.45Å; L60-Q64 WeakPolarHBondContact O-CB 3.45Å; L60-Q64 VanDerWaalsContact O-CG 3.22Å; L60-Q64 WeakPolarHBondContact O-CG 3.46Å; L60-Q64 PolarHBondContact O-N 3.25Å
61S93.3Very high92.8Very high59 Ų5948.5 Ų48.541%0.41326%0.26SS..Hα-helixtrans-57.9-49175.2-172.30000111.5P57 E58 M63 Q64 D65P57-S61 PolarHBondContact O-N 2.89Å; E58-S61 WeakPolarHBondContact O-CB 3.46Å; E58-S61 PolarHBondContact O-N 3.17Å; E58-S61 VanDerWaalsContact O-N 3.15Å; S61-M63 VanDerWaalsContact C-N 3.33Å; S61-M63 PolarHBondContact O-N 3.24Å; S61-Q64 WeakPolarHBondContact O-CB 3.02Å; S61-Q64 PolarHBondContact O-N 3.5Å; S61-Q64 VanDerWaalsContact O-N 3.13Å; S61-D65 PolarHBondContact O-N 3.12Å
62V93.6Very high92.5Very high21 Ų2150.9 Ų50.913%0.12727%0.27CS..Hα-helixtrans-60.3-42.5177.7173.50000111.6E58 T59 D65 A66 K92 L93 V96E58-V62 PolarHBondContact O-N 3Å; T59-V62 PolarHBondContact O-N 3.34Å; V62-D65 PolarHBondContact O-N 2.96Å; V62-A66 PolarHBondContact O-N 2.91Å; V62-A66 VanDerWaalsContact O-N 3.09Å; V62-K92 HydrophobicContact CG1-CB 4.09Å; V62-L93 HydrophobicContact CG1-CD2 3.99Å; V62-L93 HydrophobicContact CG1-CG 4.35Å; V62-V96 HydrophobicContact CB-CG2 4.35Å; V62-V96 HydrophobicContact CG1-CG2 4.21Å; V62-V96 HydrophobicContact CG2-CG2 4.02Å
63M91Very high92.1Very high17 Ų1748.7 Ų48.78%0.08426%0.263CS..Hα-helixtrans-64.3-42.3175.8-172.865.1-137.300111.5F34 F36 T59 L60 S61 D65 A66 Q67 L93 C288F34-M63 HydrophobicContact CD1-CB 3.77Å; F34-M63 HydrophobicContact CD1-CG 4.36Å; F34-M63 HydrophobicContact CD1-SD 4.43Å; F34-M63 HydrophobicContact CE1-CB 4.18Å; F34-M63 HydrophobicContact CG-CB 4.41Å; F34-M63 HydrophobicContact CG-SD 4.29Å; F36-M63 HydrophobicContact CE1-CE 3.78Å; F36-M63 HydrophobicContact CE1-CG 4.04Å; F36-M63 HydrophobicContact CE1-SD 3.85Å; F36-M63 HydrophobicContact CZ-CE 4.14Å; F36-M63 HydrophobicContact CZ-CG 4.36Å; F36-M63 HydrophobicContact CZ-SD 3.79Å; T59-M63 WeakPolarHBondContact O-CB 3.34Å; T59-M63 PolarHBondContact O-N 3.36Å; L60-M63 PolarHBondContact O-N 2.86Å; S61-M63 VanDerWaalsContact C-N 3.33Å; S61-M63 PolarHBondContact O-N 3.24Å; M63-D65 VanDerWaalsContact C-N 3.35Å; M63-D65 PolarHBondContact O-N 3.28Å; M63-A66 WeakPolarHBondContact O-CA 3.39Å; M63-A66 WeakPolarHBondContact O-CB 3.42Å; M63-A66 PolarHBondContact O-N 3.35Å; M63-A66 VanDerWaalsContact O-N 3.15Å; M63-Q67 HydrophobicContact CE-CG 3.5Å; M63-Q67 HydrophobicContact CG-CG 4.4Å; M63-Q67 VanDerWaalsContact O-CG 3.29Å; M63-Q67 WeakPolarHBondContact O-CG 3.38Å; M63-Q67 PolarHBondContact O-N 3.43Å; M63-L93 HydrophobicContact SD-CD2 4.33Å; M63-C288 HydrophobicContact CE-CB 4.26Å
64Q91.2Very high91.5Very high62 Ų6245.7 Ų45.729%0.2925%0.248SC..Hα-helixtrans-63.7-39.7179.3-7517711.500112.6L60 S61 A66 Q67 A68L60-Q64 HydrophobicContact CD1-CG 4.28Å; L60-Q64 HydrophobicContact CG-CG 4.45Å; L60-Q64 WeakPolarHBondContact O-CB 3.45Å; L60-Q64 VanDerWaalsContact O-CG 3.22Å; L60-Q64 WeakPolarHBondContact O-CG 3.46Å; L60-Q64 PolarHBondContact O-N 3.25Å; S61-Q64 WeakPolarHBondContact O-CB 3.02Å; S61-Q64 PolarHBondContact O-N 3.5Å; S61-Q64 VanDerWaalsContact O-N 3.13Å; Q64-A66 VanDerWaalsContact C-N 3.29Å; Q64-A66 PolarHBondContact O-N 2.86Å; Q64-Q67 PolarHBondContact O-N 2.64Å; Q64-A68 PolarHBondContact O-N 2.66Å
65D91.4Very high91Very high96 Ų9642.8 Ų42.851%0.51324%0.237SC..Hα-helixtrans-62.1-40.1173-76.2-16.9000111.2S61 V62 M63 A68 Q69S61-D65 PolarHBondContact O-N 3.12Å; V62-D65 PolarHBondContact O-N 2.96Å; M63-D65 VanDerWaalsContact C-N 3.35Å; M63-D65 PolarHBondContact O-N 3.28Å; D65-A68 PolarHBondContact O-N 2.97Å; D65-Q69 WeakPolarHBondContact O-CB 2.95Å; D65-Q69 PolarHBondContact O-N 3.22Å
66A91.6Very high90.3Very high4 Ų441.7 Ų41.73%0.03323%0.229CC..Hα-helixtrans-63.1-46.3173.400000112.5V62 M63 Q64 A68 Q69 I70 T89 L93V62-A66 PolarHBondContact O-N 2.91Å; V62-A66 VanDerWaalsContact O-N 3.09Å; M63-A66 WeakPolarHBondContact O-CA 3.39Å; M63-A66 WeakPolarHBondContact O-CB 3.42Å; M63-A66 PolarHBondContact O-N 3.35Å; M63-A66 VanDerWaalsContact O-N 3.15Å; Q64-A66 VanDerWaalsContact C-N 3.29Å; Q64-A66 PolarHBondContact O-N 2.86Å; A66-A68 PolarHBondContact O-N 3.21Å; A66-Q69 PolarHBondContact O-N 2.66Å; A66-Q69 VanDerWaalsContact O-N 3.09Å; A66-I70 WeakPolarHBondContact O-CG2 3.45Å; A66-I70 PolarHBondContact O-N 2.99Å; A66-T89 VanDerWaalsContact CA-CG2 3.48Å; A66-T89 HydrophobicContact CB-CG2 3.56Å; A66-L93 HydrophobicContact CB-CD1 3.82Å; A66-L93 HydrophobicContact CB-CD2 4.11Å; A66-L93 HydrophobicContact CB-CG 4.22Å
67Q91.2Very high89.5Confident25 Ų2542.2 Ų42.212%0.11723%0.225CC..Hα-helixtrans-63.1-28.2177-66.3-178-31.900113.1M63 Q64 I70 W71 C288 R293M63-Q67 HydrophobicContact CE-CG 3.5Å; M63-Q67 HydrophobicContact CG-CG 4.4Å; M63-Q67 VanDerWaalsContact O-CG 3.29Å; M63-Q67 WeakPolarHBondContact O-CG 3.38Å; M63-Q67 PolarHBondContact O-N 3.43Å; Q64-Q67 PolarHBondContact O-N 2.64Å; Q67-I70 WeakPolarHBondContact O-CG1 3.21Å; Q67-W71 PolarHBondContact O-NE1 3.38Å; Q67-C288 VanDerWaalsContact CG-O 3.27Å; Q67-C288 WeakPolarHBondContact CG-O 3.26Å; Q67-R293 HydrophobicContact CB-CG 4.36Å
68A91.8Very high87.8Confident23 Ų2337 Ų3719%0.1919%0.192CC..Hα-helixtrans-74.5-42.3171.700000111.4Q64 D65 A66 I70 W71 Y72 R293Q64-A68 PolarHBondContact O-N 2.66Å; D65-A68 PolarHBondContact O-N 2.97Å; A66-A68 PolarHBondContact O-N 3.21Å; A68-I70 PolarHBondContact O-N 3.2Å; A68-W71 PolarHBondContact O-N 3.49Å; A68-Y72 WeakPolarHBondContact O-CD2 3.43Å; A68-R293 HydrophobicContact CB-CB 4.31Å; A68-R293 HydrophobicContact CB-CG 4.38Å
69Q92Very high86.3Confident5 Ų530.9 Ų30.92%0.02317%0.168CC..Hα-helixtrans-68-34.2-172.7-176.756.212.400113.9D65 A66 W71 Y72 G73 V75 N83 K85 T89D65-Q69 WeakPolarHBondContact O-CB 2.95Å; D65-Q69 PolarHBondContact O-N 3.22Å; A66-Q69 PolarHBondContact O-N 2.66Å; A66-Q69 VanDerWaalsContact O-N 3.09Å; Q69-W71 PolarHBondContact O-N 3.31Å; Q69-W71 VanDerWaalsContact O-N 3.08Å; Q69-Y72 PolarHBondContact O-N 2.86Å; Q69-G73 PolarHBondContact O-N 3.2Å; Q69-V75 HydrophobicContact CB-CG2 4.45Å; Q69-V75 HydrophobicContact CG-CG2 3.93Å; Q69-N83 PolarHBondContact NE2-OD1 3Å; Q69-K85 HydrophobicContact CG-CG 4.36Å; Q69-T89 HydrophobicContact CB-CG2 4.39Å
70I91.3Very high84.8Confident2 Ų233.6 Ų33.61%0.0120%0.197CC..THydrogen-bonded Turntrans-58.7-22.6179.958.5170.6000113.9A66 Q67 A68 Y72 V75 A289 L376 Q377A66-I70 WeakPolarHBondContact O-CG2 3.45Å; A66-I70 PolarHBondContact O-N 2.99Å; Q67-I70 WeakPolarHBondContact O-CG1 3.21Å; A68-I70 PolarHBondContact O-N 3.2Å; I70-Y72 VanDerWaalsContact C-N 3.34Å; I70-V75 HydrophobicContact CG2-CB 4.48Å; I70-V75 HydrophobicContact CG2-CG2 4.01Å; I70-A289 HydrophobicContact CD1-CB 4.16Å; I70-L376 HydrophobicContact CB-CB 4.17Å; I70-L376 WeakPolarHBondContact CB-O 3.45Å; I70-L376 HydrophobicContact CD1-CD1 4.5Å; I70-Q377 HydrophobicContact CG2-CB 3.93Å; I70-Q377 HydrophobicContact CG2-CG 4.39Å
71W90.9Very high83.7Confident5 Ų534.6 Ų34.62%0.01921%0.206CC..THydrogen-bonded Turntrans-81-10.8176.8-64.2112.4000114.2Q67 A68 Q69 F285 A289 L294 P295 V298 M318 L376 I398Q67-W71 PolarHBondContact O-NE1 3.38Å; A68-W71 PolarHBondContact O-N 3.49Å; Q69-W71 PolarHBondContact O-N 3.31Å; Q69-W71 VanDerWaalsContact O-N 3.08Å; W71-F285 HydrophobicContact CH2-CB 4.49Å; W71-F285 HydrophobicContact CH2-CD1 4.43Å; W71-F285 HydrophobicContact CH2-CG 4.34Å; W71-A289 HydrophobicContact CH2-CB 4.06Å; W71-A289 HydrophobicContact CZ2-CB 3.67Å; W71-L294 HydrophobicContact CD2-CD1 3.74Å; W71-L294 HydrophobicContact CE3-CD1 3.68Å; W71-L294 HydrophobicContact CH2-CD1 3.51Å; W71-L294 HydrophobicContact CZ2-CD1 3.55Å; W71-L294 HydrophobicContact CZ3-CD1 3.57Å; W71-P295 HydrophobicContact CB-CG 3.65Å; W71-P295 HydrophobicContact CG-CG 4.32Å; W71-V298 HydrophobicContact CE3-CG1 4.3Å; W71-V298 HydrophobicContact CZ3-CG1 4.33Å; W71-M318 HydrophobicContact CH2-CE 3.52Å; W71-M318 HydrophobicContact CZ2-CE 3.33Å; W71-L376 HydrophobicContact CE3-CD1 4.27Å; W71-L376 HydrophobicContact CE3-CD2 3.93Å; W71-L376 HydrophobicContact CH2-CD1 3.86Å; W71-L376 HydrophobicContact CZ2-CD1 4.34Å; W71-L376 HydrophobicContact CZ3-CD1 3.83Å; W71-L376 HydrophobicContact CZ3-CD2 3.97Å; W71-I398 HydrophobicContact CE3-CD1 3.97Å; W71-I398 HydrophobicContact CE3-CG1 4.35Å; W71-I398 HydrophobicContact CZ3-CD1 4.37Å; W71-I398 WeakPolarHBondContact O-CG1 3.43Å
72Y87.9Confident82.7Confident146 Ų14637.7 Ų37.757%0.57322%0.222SC*.THydrogen-bonded Turntrans-101-19.5177.8-67.1-82.1000112.6A68 Q69 I70 P295A68-Y72 WeakPolarHBondContact O-CD2 3.43Å; Q69-Y72 PolarHBondContact O-N 2.86Å; I70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-P295 HydrophobicContact CE2-CG 4.29Å
73G84.9Confident82.2Confident5 Ų537.5 Ų37.55%0.05222%0.221CC..SBendtrans168.9158.6173.800000111.5Q69 V75 N83Q69-G73 PolarHBondContact O-N 3.2Å; G73-V75 PolarHBondContact O-N 2.95Å; G73-N83 PolarHBondContact O-ND2 3.39Å
74P83.4Confident82.1Confident10 Ų1043 Ų437%0.06525%0.25CC..  trans-57.9137.9-178.9-21.831.7000113.1L77 N83 L376 M381P74-L77 CarbonylContact C-O 3.58Å; P74-L77 WeakPolarHBondContact CB-O 3.43Å; P74-L77 CarbonylContact O-C 3.53Å; P74-N83 PolarHBondContact O-ND2 3.47Å; P74-L376 VanDerWaalsContact CA-O 3.31Å; P74-L376 WeakPolarHBondContact CA-O 3.49Å; P74-M381 HydrophobicContact CG-CG 4.26Å
75V83Confident82Confident10 Ų1046 Ų466%0.06126%0.262CS..BIsolated β-bridgetrans-102.6134176.41750000108.9Q69 I70 G73 F90 Q377 G378Q69-V75 HydrophobicContact CB-CG2 4.45Å; Q69-V75 HydrophobicContact CG-CG2 3.93Å; I70-V75 HydrophobicContact CG2-CB 4.48Å; I70-V75 HydrophobicContact CG2-CG2 4.01Å; G73-V75 PolarHBondContact O-N 2.95Å; V75-F90 HydrophobicContact CG1-CB 4Å; V75-Q377 HydrophobicContact CB-CB 4.31Å; V75-Q377 CarbonylContact O-C 3.46Å; V75-G378 PolarHBondContact O-N 3.16Å
76P80.6Confident81.9Confident10 Ų1041.5 Ų41.57%0.06524%0.237CC..SBendcis-80.8-24.7230.1-34000114.5G86 V87 F90 L172P76-G86 CarbonylContact O-C 3.55Å; P76-V87 WeakPolarHBondContact O-CG2 3.41Å; P76-V87 PolarHBondContact O-N 3.46Å; P76-F90 HydrophobicContact CB-CB 3.75Å; P76-F90 HydrophobicContact CB-CD1 4.19Å; P76-F90 HydrophobicContact CB-CD2 4.28Å; P76-F90 HydrophobicContact CB-CG 3.81Å; P76-F90 HydrophobicContact CG-CD2 4.45Å; P76-F90 HydrophobicContact CG-CG 4.35Å; P76-L172 HydrophobicContact CG-CD1 3.9Å; P76-L172 HydrophobicContact CG-CD2 4.46Å
77L76.5Confident81.8Confident41 Ų4144 Ų4422%0.21525%0.253CS..SBendtrans-111.6138.5-174.1-62.6179.4000112P74 G79 V87 L172 I190P74-L77 CarbonylContact C-O 3.58Å; P74-L77 WeakPolarHBondContact CB-O 3.43Å; P74-L77 CarbonylContact O-C 3.53Å; L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 3.3Å; L77-V87 HydrophobicContact CD2-CG2 4.01Å; L77-L172 HydrophobicContact CD1-CB 4.14Å; L77-L172 HydrophobicContact CD1-CD1 4.21Å; L77-I190 HydrophobicContact CD1-CG2 4.12Å
78G59.6Low81.9Confident7 Ų749.3 Ų49.37%0.07227%0.272CS..BIsolated β-bridgetrans-81.343.7-165.700000116.9G80 T81G78-G80 PolarHBondContact O-N 2.96Å; G78-T81 CarbonylContact C-O 3.42Å; G78-T81 WeakPolarHBondContact CA-O 3.42Å; G78-T81 PolarHBondContact N-O 3.38Å; G78-T81 PolarHBondContact O-N 2.94Å; G78-T81 PolarHBondContact O-OG1 3.36Å
79G61.8Low81.9Confident13 Ų1348.7 Ų48.713%0.13427%0.266CS..THydrogen-bonded Turntrans53.829.8167.300000115.9L77L77-G79 VanDerWaalsContact C-N 3.3Å; L77-G79 PolarHBondContact O-N 3.3Å
80G62.2Low81.8Confident62 Ų6250.3 Ų50.364%0.63927%0.273SS*.THydrogen-bonded Turntrans124.9-18.5-175.100000114.3G78G78-G80 PolarHBondContact O-N 2.96Å
81T67.8Low81.9Confident104 Ų10454.5 Ų54.564%0.63829%0.293SS*.BIsolated β-bridgetrans-118.8157.5172.560.20000111.7G78 N83G78-T81 CarbonylContact C-O 3.42Å; G78-T81 WeakPolarHBondContact CA-O 3.42Å; G78-T81 PolarHBondContact N-O 3.38Å; G78-T81 PolarHBondContact O-N 2.94Å; G78-T81 PolarHBondContact O-OG1 3.36Å; T81-N83 PolarHBondContact O-N 3.48Å
82V73.2Confident82.1Confident123 Ų12357.6 Ų57.675%0.74531%0.306SS*.  trans-73117.7175.8-177.30000108.9L84V82-L84 HydrophobicContact CG1-CD2 3.69Å; V82-L84 HydrophobicContact CG1-CG 3.9Å
83N83.3Confident82.3Confident18 Ų1852 Ų5210%0.09629%0.286CS..  trans-106.874.5177.8-175.34.6000109.8Q69 G73 P74 T81 K85 G86 V87Q69-N83 PolarHBondContact NE2-OD1 3Å; G73-N83 PolarHBondContact O-ND2 3.39Å; P74-N83 PolarHBondContact O-ND2 3.47Å; T81-N83 PolarHBondContact O-N 3.48Å; N83-K85 PolarHBondContact O-N 3.39Å; N83-G86 WeakPolarHBondContact O-CA 3.43Å; N83-G86 PolarHBondContact O-N 3.26Å; N83-G86 PolarHBondContact OD1-N 3.29Å; N83-V87 PolarHBondContact O-N 3.18Å
84L88.3Confident82.6Confident132 Ų13252.3 Ų52.369%0.69129%0.286SS*.Hα-helixtrans-56.5-39.8-177-67.5179.3000112.4V82 G86 V87 Y88V82-L84 HydrophobicContact CG1-CD2 3.69Å; V82-L84 HydrophobicContact CG1-CG 3.9Å; L84-G86 VanDerWaalsContact C-N 3.33Å; L84-G86 PolarHBondContact O-N 2.93Å; L84-V87 PolarHBondContact O-N 3.26Å; L84-Y88 PolarHBondContact O-N 3.23Å
85K89.4Confident83.1Confident126 Ų12655.2 Ų55.255%0.54830%0.299SS..Hα-helixtrans-64.7-38.5175.5-174.9175.7173.6-165.10111.5Q69 N83 Y88 T89Q69-K85 HydrophobicContact CG-CG 4.36Å; N83-K85 PolarHBondContact O-N 3.39Å; K85-Y88 PolarHBondContact O-N 2.92Å; K85-T89 WeakPolarHBondContact O-CB 3.39Å; K85-T89 PolarHBondContact O-N 3.45Å; K85-T89 PolarHBondContact O-OG1 3.34Å
86G89.4Confident83.6Confident0 Ų055.4 Ų55.40%030%0.3CS..Hα-helixtrans-62.1-42.717200000113.2P76 N83 L84 T89 F90P76-G86 CarbonylContact O-C 3.55Å; N83-G86 WeakPolarHBondContact O-CA 3.43Å; N83-G86 PolarHBondContact O-N 3.26Å; N83-G86 PolarHBondContact OD1-N 3.29Å; L84-G86 VanDerWaalsContact C-N 3.33Å; L84-G86 PolarHBondContact O-N 2.93Å; G86-T89 PolarHBondContact O-N 3.04Å; G86-F90 WeakPolarHBondContact O-CB 3.48Å; G86-F90 PolarHBondContact O-N 3.21Å
87V90.2Very high84.2Confident58 Ų5857.7 Ų57.735%0.35231%0.31SS..Hα-helixtrans-61.4-46.6174.6176.30000110.8P76 L77 N83 L84 F90 Q91P76-V87 WeakPolarHBondContact O-CG2 3.41Å; P76-V87 PolarHBondContact O-N 3.46Å; L77-V87 HydrophobicContact CD2-CG2 4.01Å; N83-V87 PolarHBondContact O-N 3.18Å; L84-V87 PolarHBondContact O-N 3.26Å; V87-F90 PolarHBondContact O-N 2.81Å; V87-Q91 PolarHBondContact O-N 3.45Å
88Y92.1Very high85Confident136 Ų13656.9 Ų56.953%0.53331%0.307SS..Hα-helixtrans-60.6-46.2176.9177.5-97.4000112.4L84 K85 F90 Q91 K92L84-Y88 PolarHBondContact O-N 3.23Å; K85-Y88 PolarHBondContact O-N 2.92Å; Y88-F90 VanDerWaalsContact C-N 3.34Å; Y88-F90 PolarHBondContact O-N 3.44Å; Y88-Q91 WeakPolarHBondContact O-CB 3.41Å; Y88-Q91 PolarHBondContact O-N 3.21Å; Y88-K92 HydrophobicContact CD1-CG 4.42Å; Y88-K92 HydrophobicContact CE1-CG 3.95Å; Y88-K92 PolarHBondContact O-N 3.27Å; Y88-K92 VanDerWaalsContact OH-CE 3.24Å; Y88-K92 WeakPolarHBondContact OH-CE 3.06Å
89T92.4Very high86.7Confident10 Ų1058.1 Ų58.16%0.06132%0.317CS..Hα-helixtrans-58.6-44.6175.1-67.30000111.8A66 Q69 K85 G86 Q91 K92 L93A66-T89 VanDerWaalsContact CA-CG2 3.48Å; A66-T89 HydrophobicContact CB-CG2 3.56Å; Q69-T89 HydrophobicContact CB-CG2 4.39Å; K85-T89 WeakPolarHBondContact O-CB 3.39Å; K85-T89 PolarHBondContact O-N 3.45Å; K85-T89 PolarHBondContact O-OG1 3.34Å; G86-T89 PolarHBondContact O-N 3.04Å; T89-Q91 VanDerWaalsContact C-N 3.34Å; T89-Q91 PolarHBondContact O-N 3.01Å; T89-K92 PolarHBondContact O-N 3.2Å; T89-L93 HydrophobicContact CG2-CD1 4.45Å; T89-L93 WeakPolarHBondContact O-CG 3.5Å; T89-L93 PolarHBondContact O-N 3.41Å
90F90.8Very high88.3Confident38 Ų3857.5 Ų57.517%0.16731%0.311CS..Hα-helixtrans-62.7-41.6176.9179.2-98.4000112.1V75 P76 G86 V87 Y88 K92 L93 Y94 L128 I197V75-F90 HydrophobicContact CG1-CB 4Å; P76-F90 HydrophobicContact CB-CB 3.75Å; P76-F90 HydrophobicContact CB-CD1 4.19Å; P76-F90 HydrophobicContact CB-CD2 4.28Å; P76-F90 HydrophobicContact CB-CG 3.81Å; P76-F90 HydrophobicContact CG-CD2 4.45Å; P76-F90 HydrophobicContact CG-CG 4.35Å; G86-F90 WeakPolarHBondContact O-CB 3.48Å; G86-F90 PolarHBondContact O-N 3.21Å; V87-F90 PolarHBondContact O-N 2.81Å; Y88-F90 VanDerWaalsContact C-N 3.34Å; Y88-F90 PolarHBondContact O-N 3.44Å; F90-K92 VanDerWaalsContact C-N 3.34Å; F90-K92 PolarHBondContact O-N 3.16Å; F90-L93 PolarHBondContact O-N 3.26Å; F90-Y94 PolarHBondContact O-N 3.14Å; F90-L128 HydrophobicContact CE2-CD1 3.93Å; F90-L128 HydrophobicContact CE2-CD2 4.36Å; F90-L128 HydrophobicContact CZ-CD1 4.28Å; F90-L128 HydrophobicContact CZ-CD2 3.86Å; F90-I197 HydrophobicContact CE1-CG2 4.36Å
91Q92.4Very high89.8Confident90 Ų9055.1 Ų55.142%0.42128%0.284SS..Hα-helixtrans-59.8-44.7174.7-178.9179-23.800111.4V87 Y88 T89 L93 Y94 E95V87-Q91 PolarHBondContact O-N 3.45Å; Y88-Q91 WeakPolarHBondContact O-CB 3.41Å; Y88-Q91 PolarHBondContact O-N 3.21Å; T89-Q91 VanDerWaalsContact C-N 3.34Å; T89-Q91 PolarHBondContact O-N 3.01Å; Q91-L93 PolarHBondContact O-N 2.87Å; Q91-Y94 PolarHBondContact O-N 3.18Å; Q91-E95 HydrophobicContact CG-CG 4.41Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.39Å; Q91-E95 PolarHBondContact NE2-OE1 3.29Å; Q91-E95 WeakPolarHBondContact O-CG 3.23Å; Q91-E95 PolarHBondContact O-N 3.34Å
92K94Very high91.2Very high71 Ų7153.1 Ų53.131%0.30927%0.267SS..Hα-helixtrans-61.5-42.8177-76.5-74.4166.4-151.10112.9V62 Y88 T89 F90 Y94 E95 V96V62-K92 HydrophobicContact CG1-CB 4.09Å; Y88-K92 HydrophobicContact CD1-CG 4.42Å; Y88-K92 HydrophobicContact CE1-CG 3.95Å; Y88-K92 PolarHBondContact O-N 3.27Å; Y88-K92 VanDerWaalsContact OH-CE 3.24Å; Y88-K92 WeakPolarHBondContact OH-CE 3.06Å; T89-K92 PolarHBondContact O-N 3.2Å; F90-K92 VanDerWaalsContact C-N 3.34Å; F90-K92 PolarHBondContact O-N 3.16Å; K92-Y94 VanDerWaalsContact C-N 3.3Å; K92-Y94 PolarHBondContact O-N 2.87Å; K92-E95 IonicContact NZ-OE2 2.64Å; K92-E95 PolarHBondContact NZ-OE2 2.97Å; K92-E95 PolarHBondContact O-N 2.96Å; K92-V96 WeakPolarHBondContact O-CG2 3.48Å; K92-V96 PolarHBondContact O-N 3.4Å; K92-V96 VanDerWaalsContact O-N 3.12Å
93L92.6Very high92.3Very high27 Ų2748.3 Ų48.314%0.14124%0.241CC..Hα-helixtrans-58-44.4174.4-73.7168.2000111.4F34 V62 M63 A66 T89 F90 Q91 Q97F34-L93 HydrophobicContact CE1-CD2 4.11Å; F34-L93 HydrophobicContact CE2-CD2 4.12Å; F34-L93 HydrophobicContact CZ-CD2 3.55Å; V62-L93 HydrophobicContact CG1-CD2 3.99Å; V62-L93 HydrophobicContact CG1-CG 4.35Å; M63-L93 HydrophobicContact SD-CD2 4.33Å; A66-L93 HydrophobicContact CB-CD1 3.82Å; A66-L93 HydrophobicContact CB-CD2 4.11Å; A66-L93 HydrophobicContact CB-CG 4.22Å; T89-L93 HydrophobicContact CG2-CD1 4.45Å; T89-L93 WeakPolarHBondContact O-CG 3.5Å; T89-L93 PolarHBondContact O-N 3.41Å; F90-L93 PolarHBondContact O-N 3.26Å; Q91-L93 PolarHBondContact O-N 2.87Å; L93-Q97 VanDerWaalsContact O-CG 3.32Å; L93-Q97 WeakPolarHBondContact O-CG 3.46Å; L93-Q97 PolarHBondContact O-N 2.86Å; L93-Q97 VanDerWaalsContact O-N 3.08Å
94Y92.1Very high92.9Very high13 Ų1347.5 Ų47.55%0.05124%0.236CC..Hα-helixtrans-70.4-38.3179.5-169-95.4000113F90 Q91 K92 V96 Q97 S98 E130 L201 S205F90-Y94 PolarHBondContact O-N 3.14Å; Q91-Y94 PolarHBondContact O-N 3.18Å; K92-Y94 VanDerWaalsContact C-N 3.3Å; K92-Y94 PolarHBondContact O-N 2.87Å; Y94-V96 VanDerWaalsContact C-N 3.32Å; Y94-V96 PolarHBondContact O-N 3.17Å; Y94-Q97 PolarHBondContact O-N 3.36Å; Y94-S98 WeakPolarHBondContact O-CB 3.32Å; Y94-S98 PolarHBondContact O-N 2.84Å; Y94-E130 WeakPolarHBondContact CE2-OE2 3.25Å; Y94-L201 HydrophobicContact CD1-CD2 3.55Å; Y94-L201 HydrophobicContact CD2-CD1 4.26Å; Y94-L201 HydrophobicContact CD2-CD2 3.77Å; Y94-L201 HydrophobicContact CE1-CB 4.31Å; Y94-L201 HydrophobicContact CE1-CD2 3.49Å; Y94-L201 VanDerWaalsContact CE1-CD2 3.49Å; Y94-L201 HydrophobicContact CE1-CG 4.41Å; Y94-L201 HydrophobicContact CE2-CB 4.13Å; Y94-L201 HydrophobicContact CE2-CD1 3.96Å; Y94-L201 HydrophobicContact CE2-CD2 3.7Å; Y94-L201 HydrophobicContact CE2-CG 4.1Å; Y94-L201 HydrophobicContact CG-CD2 3.67Å; Y94-L201 WeakPolarHBondContact OH-CB 3.46Å; Y94-L201 PolarHBondContact OH-O 3.47Å; Y94-S205 PolarHBondContact OH-OG 2.85Å
95E93.1Very high93.2Very high71 Ų7141.5 Ų41.533%0.33221%0.205SC..Hα-helixtrans-56.8-46.4174.6-77.4172.2-174.400111Q91 K92 S98 A99Q91-E95 HydrophobicContact CG-CG 4.41Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.39Å; Q91-E95 PolarHBondContact NE2-OE1 3.29Å; Q91-E95 WeakPolarHBondContact O-CG 3.23Å; Q91-E95 PolarHBondContact O-N 3.34Å; K92-E95 IonicContact NZ-OE2 2.64Å; K92-E95 PolarHBondContact NZ-OE2 2.97Å; K92-E95 PolarHBondContact O-N 2.96Å; E95-S98 PolarHBondContact O-N 2.8Å; E95-A99 PolarHBondContact O-N 3.35Å
96V94.5Very high93.5Very high14 Ų1441.8 Ų41.89%0.08521%0.206CC..Hα-helixtrans-65-42.1176.91760000111.6V33 F34 Y54 T59 V62 K92 Y94 S98 A99 A100V33-V96 HydrophobicContact CG1-CG1 3.61Å; F34-V96 HydrophobicContact CE1-CG1 4.26Å; F34-V96 HydrophobicContact CZ-CG1 4.36Å; Y54-V96 HydrophobicContact CE1-CG1 4.36Å; T59-V96 HydrophobicContact CG2-CG1 3.56Å; V62-V96 HydrophobicContact CB-CG2 4.35Å; V62-V96 HydrophobicContact CG1-CG2 4.21Å; V62-V96 HydrophobicContact CG2-CG2 4.02Å; K92-V96 WeakPolarHBondContact O-CG2 3.48Å; K92-V96 PolarHBondContact O-N 3.4Å; K92-V96 VanDerWaalsContact O-N 3.12Å; Y94-V96 VanDerWaalsContact C-N 3.32Å; Y94-V96 PolarHBondContact O-N 3.17Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.24Å; V96-A99 PolarHBondContact O-N 3.06Å; V96-A100 WeakPolarHBondContact O-CB 3.24Å; V96-A100 PolarHBondContact O-N 2.86Å
97Q92.9Very high93.9Very high58 Ų5843.2 Ų43.227%0.27122%0.216SC..Hα-helixtrans-61.4-41.4175.3-72.4173.115.300112V33 F34 L93 Y94 A100 C101V33-Q97 HydrophobicContact CG1-CG 4.21Å; V33-Q97 HydrophobicContact CG2-CG 4.29Å; F34-Q97 HydrophobicContact CE2-CG 4.29Å; L93-Q97 VanDerWaalsContact O-CG 3.32Å; L93-Q97 WeakPolarHBondContact O-CG 3.46Å; L93-Q97 PolarHBondContact O-N 2.86Å; L93-Q97 VanDerWaalsContact O-N 3.08Å; Y94-Q97 PolarHBondContact O-N 3.36Å; Q97-A100 PolarHBondContact O-N 3.46Å; Q97-C101 WeakPolarHBondContact O-CB 3.18Å; Q97-C101 PolarHBondContact O-N 2.77Å
98S93.6Very high94.1Very high23 Ų2347.6 Ų47.616%0.16123%0.232CC..Hα-helixtrans-64.7-42.1176.7-173.50000111.7Y94 E95 V96 C101 Q102Y94-S98 WeakPolarHBondContact O-CB 3.32Å; Y94-S98 PolarHBondContact O-N 2.84Å; E95-S98 PolarHBondContact O-N 2.8Å; V96-S98 VanDerWaalsContact C-N 3.33Å; V96-S98 PolarHBondContact O-N 3.24Å; S98-C101 WeakPolarHBondContact O-CB 3.42Å; S98-C101 PolarHBondContact O-N 3.06Å; S98-Q102 PolarHBondContact O-N 3.49Å
99A95.1Very high94.3Very high34 Ų3444.4 Ų44.428%0.28123%0.23SC..Hα-helixtrans-64.7-43.9175.800000111.7E95 V96 C101 Q102 A103E95-A99 PolarHBondContact O-N 3.35Å; V96-A99 PolarHBondContact O-N 3.06Å; A99-C101 VanDerWaalsContact C-N 3.3Å; A99-C101 PolarHBondContact O-N 2.93Å; A99-Q102 PolarHBondContact O-N 3.02Å; A99-A103 WeakPolarHBondContact O-CB 3.43Å; A99-A103 PolarHBondContact O-N 3.42Å
100A95.2Very high94.5Very high0 Ų044.1 Ų44.10%023%0.228CC..Hα-helixtrans-59.1-42.4174.800000111.9V31 V33 Y54 V96 Q97 A103 A104V31-A100 HydrophobicContact CG1-CB 4.12Å; V33-A100 HydrophobicContact CB-CB 4.45Å; V33-A100 HydrophobicContact CG1-CB 4.2Å; V33-A100 HydrophobicContact CG2-CB 3.71Å; Y54-A100 HydrophobicContact CD1-CB 3.41Å; Y54-A100 VanDerWaalsContact CD1-CB 3.41Å; Y54-A100 HydrophobicContact CD2-CB 4.16Å; Y54-A100 HydrophobicContact CE1-CB 4.05Å; Y54-A100 HydrophobicContact CG-CB 3.48Å; Y54-A100 VanDerWaalsContact CG-CB 3.48Å; V96-A100 WeakPolarHBondContact O-CB 3.24Å; V96-A100 PolarHBondContact O-N 2.86Å; Q97-A100 PolarHBondContact O-N 3.46Å; A100-A103 PolarHBondContact O-N 3.03Å; A100-A104 WeakPolarHBondContact O-CB 3.39Å; A100-A104 PolarHBondContact O-N 3.03Å
101C94.4Very high94.6Very high11 Ų1143.8 Ų43.87%0.07423%0.228CC..Hα-helixtrans-62-47.3175.6-170.70000112.2Q97 S98 A99 A103 A104 L105 C131Q97-C101 WeakPolarHBondContact O-CB 3.18Å; Q97-C101 PolarHBondContact O-N 2.77Å; S98-C101 WeakPolarHBondContact O-CB 3.42Å; S98-C101 PolarHBondContact O-N 3.06Å; A99-C101 VanDerWaalsContact C-N 3.3Å; A99-C101 PolarHBondContact O-N 2.93Å; C101-A103 VanDerWaalsContact C-N 3.3Å; C101-A103 PolarHBondContact O-N 3.45Å; C101-A104 PolarHBondContact O-N 3.48Å; C101-L105 WeakPolarHBondContact O-CB 3.48Å; C101-L105 WeakPolarHBondContact O-CG 3.22Å; C101-L105 PolarHBondContact O-N 2.89Å; C101-C131 WeakPolarHBondContact CA-SG 3.42Å; C101-C131 HydrophobicContact CB-CB 3.56Å; C101-C131 WeakPolarHBondContact CB-SG 3.38Å; C101-C131 WeakPolarHBondContact SG-CA 3.43Å; C101-C131 WeakPolarHBondContact SG-CB 3.39Å; C101-C131 CovalentContact SG-SG 2.03Å; C101-C131 PolarHBondContact SG-SG 2.82Å
102Q95.7Very high94.8Very high62 Ų6243.8 Ų43.829%0.2923%0.231SC..Hα-helixtrans-60.6-42.2178.2-170.6177.426.300111.3S98 A99 L105 K106 V208 L212S98-Q102 PolarHBondContact O-N 3.49Å; A99-Q102 PolarHBondContact O-N 3.02Å; Q102-L105 PolarHBondContact O-N 2.9Å; Q102-K106 WeakPolarHBondContact O-CG 3.46Å; Q102-K106 PolarHBondContact O-N 3.25Å; Q102-K106 VanDerWaalsContact O-N 3.09Å; Q102-V208 HydrophobicContact CB-CG1 3.75Å; Q102-V208 HydrophobicContact CG-CG1 3.95Å; Q102-L212 HydrophobicContact CG-CD1 4.28Å; Q102-L212 HydrophobicContact CG-CD2 4.39Å
103A96.5Very high94.9Very high23 Ų2345.4 Ų45.419%0.1924%0.238CC..Hα-helixtrans-65.7-42.9177.400000111.8Y52 Y54 A99 A100 C101 L105 K106 S107Y52-A103 HydrophobicContact CE1-CB 3.97Å; Y52-A103 WeakPolarHBondContact OH-CB 3.24Å; Y54-A103 HydrophobicContact CD2-CB 3.82Å; Y54-A103 HydrophobicContact CE2-CB 3.68Å; A99-A103 WeakPolarHBondContact O-CB 3.43Å; A99-A103 PolarHBondContact O-N 3.42Å; A100-A103 PolarHBondContact O-N 3.03Å; C101-A103 VanDerWaalsContact C-N 3.3Å; C101-A103 PolarHBondContact O-N 3.45Å; A103-L105 PolarHBondContact O-N 3.25Å; A103-K106 PolarHBondContact O-N 3.24Å; A103-S107 PolarHBondContact O-N 3.45Å; A103-S107 VanDerWaalsContact O-N 3.16Å
104A96Very high95Very high0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-60.1-44.5175.700000111.9V31 Y52 A100 C101 K106 S107 Y110V31-A104 HydrophobicContact CG1-CB 4.16Å; V31-A104 HydrophobicContact CG2-CB 3.77Å; Y52-A104 HydrophobicContact CD1-CB 3.5Å; Y52-A104 VanDerWaalsContact CD1-CB 3.5Å; Y52-A104 HydrophobicContact CD2-CB 4.39Å; Y52-A104 HydrophobicContact CE1-CB 3.98Å; Y52-A104 HydrophobicContact CG-CB 3.72Å; A100-A104 WeakPolarHBondContact O-CB 3.39Å; A100-A104 PolarHBondContact O-N 3.03Å; C101-A104 PolarHBondContact O-N 3.48Å; A104-K106 VanDerWaalsContact C-N 3.29Å; A104-K106 PolarHBondContact O-N 2.76Å; A104-S107 WeakPolarHBondContact O-CB 3.5Å; A104-S107 PolarHBondContact O-N 2.88Å; A104-Y110 HydrophobicContact CB-CD1 4.06Å; A104-Y110 HydrophobicContact CB-CE1 4.08Å; A104-Y110 WeakPolarHBondContact O-CD1 3.35Å
105L95.1Very high95.1Very high6 Ų649.7 Ų49.73%0.03126%0.257CS..Hα-helixtrans-72.9-16.7179.2-69.8175.8000113.9C101 Q102 A103 L111 I135 I138 L209 L212C101-L105 WeakPolarHBondContact O-CB 3.48Å; C101-L105 WeakPolarHBondContact O-CG 3.22Å; C101-L105 PolarHBondContact O-N 2.89Å; Q102-L105 PolarHBondContact O-N 2.9Å; A103-L105 PolarHBondContact O-N 3.25Å; L105-L111 HydrophobicContact CD2-CD2 4.36Å; L105-L111 WeakPolarHBondContact O-CD1 3.31Å; L105-I135 HydrophobicContact CD2-CD1 4.47Å; L105-I135 HydrophobicContact CD2-CG1 3.72Å; L105-I138 HydrophobicContact CD2-CD1 3.68Å; L105-L209 HydrophobicContact CD1-CD2 3.64Å; L105-L212 HydrophobicContact CB-CD1 3.43Å; L105-L212 VanDerWaalsContact CB-CD1 3.43Å; L105-L212 HydrophobicContact CD1-CD1 3.9Å; L105-L212 HydrophobicContact CG-CD1 4.33Å
106K96Very high95.2Very high133 Ų13349.6 Ų49.658%0.57827%0.269SS*.Hα-helixtrans-86.8-16.1170-74.6178.8179.3-176.10112.9Q102 A103 A104 E108 L212Q102-K106 WeakPolarHBondContact O-CG 3.46Å; Q102-K106 PolarHBondContact O-N 3.25Å; Q102-K106 VanDerWaalsContact O-N 3.09Å; A103-K106 PolarHBondContact O-N 3.24Å; A104-K106 VanDerWaalsContact C-N 3.29Å; A104-K106 PolarHBondContact O-N 2.76Å; K106-E108 PolarHBondContact O-N 2.91Å; K106-L212 HydrophobicContact CD-CD2 4.13Å; K106-L212 VanDerWaalsContact CE-CD2 3.45Å; K106-L212 HydrophobicContact CG-CD2 3.55Å
107S96.6Very high95.3Very high30 Ų3049.5 Ų49.521%0.2127%0.27CS..  trans-79.9103.4-176.6-177.70000110.9A103 A104 S109 Y110 L111A103-S107 PolarHBondContact O-N 3.45Å; A103-S107 VanDerWaalsContact O-N 3.16Å; A104-S107 WeakPolarHBondContact O-CB 3.5Å; A104-S107 PolarHBondContact O-N 2.88Å; S107-S109 PolarHBondContact O-N 3.49Å; S107-Y110 PolarHBondContact O-N 3.07Å; S107-Y110 PolarHBondContact OG-N 2.82Å; S107-L111 PolarHBondContact O-N 3.41Å
108E94.9Very high95.4Very high149 Ų14954.3 Ų54.370%0.69629%0.292SS*.Hα-helixtrans-55.4-40.4173.4-66.3-176.8177.800111.7K106 Y110 L111 N112K106-E108 PolarHBondContact O-N 2.91Å; E108-Y110 VanDerWaalsContact C-N 3.29Å; E108-Y110 PolarHBondContact O-N 3.46Å; E108-L111 PolarHBondContact O-N 3.34Å; E108-N112 WeakPolarHBondContact O-CB 3.36Å; E108-N112 PolarHBondContact O-N 2.97Å; E108-N112 PolarHBondContact O-ND2 3.21Å; E108-N112 PolarHBondContact O-OD1 3.49Å
109S96.5Very high95.4Very high69 Ų6954.8 Ų54.848%0.48329%0.292SS..Hα-helixtrans-57.5-41.9176.3-173.40000112.3S107 K113S107-S109 PolarHBondContact O-N 3.49Å; S109-K113 VanDerWaalsContact O-CG 3.26Å; S109-K113 WeakPolarHBondContact O-CG 3.37Å; S109-K113 PolarHBondContact O-N 3.11Å
110Y96.1Very high95.4Very high4 Ų459.4 Ų59.42%0.01631%0.312CS..Hα-helixtrans-71.5-46.6179-177-120.3000112Q30 V31 Y52 A104 S107 E108 N112 K113 I114 I135Q30-Y110 PolarHBondContact O-OH 2.85Å; V31-Y110 HydrophobicContact CG2-CE1 4.17Å; Y52-Y110 HydrophobicContact CD2-CG 4.29Å; Y52-Y110 HydrophobicContact CG-CG 4.41Å; A104-Y110 HydrophobicContact CB-CD1 4.06Å; A104-Y110 HydrophobicContact CB-CE1 4.08Å; A104-Y110 WeakPolarHBondContact O-CD1 3.35Å; S107-Y110 PolarHBondContact O-N 3.07Å; S107-Y110 PolarHBondContact OG-N 2.82Å; E108-Y110 VanDerWaalsContact C-N 3.29Å; E108-Y110 PolarHBondContact O-N 3.46Å; Y110-N112 PolarHBondContact O-N 2.8Å; Y110-K113 WeakPolarHBondContact O-CB 3.43Å; Y110-K113 PolarHBondContact O-N 2.98Å; Y110-I114 HydrophobicContact CD1-CD1 3.97Å; Y110-I114 HydrophobicContact CE1-CD1 3.5Å; Y110-I114 HydrophobicContact CE2-CD1 4.13Å; Y110-I114 HydrophobicContact CE2-CG1 4.47Å; Y110-I114 HydrophobicContact CG-CD1 4.47Å; Y110-I114 PolarHBondContact O-N 3.33Å; Y110-I114 VanDerWaalsContact O-N 3.11Å; Y110-I135 HydrophobicContact CE1-CD1 4.37Å
111L94.3Very high95.4Very high32 Ų3261.3 Ų61.317%0.16832%0.321CS..Hα-helixtrans-62.2-42.6178.5-66.9-178.1000111.9L105 S107 E108 K113 I114 Q115L105-L111 HydrophobicContact CD2-CD2 4.36Å; L105-L111 WeakPolarHBondContact O-CD1 3.31Å; S107-L111 PolarHBondContact O-N 3.41Å; E108-L111 PolarHBondContact O-N 3.34Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 2.86Å; L111-I114 PolarHBondContact O-N 3.12Å; L111-I114 VanDerWaalsContact O-N 3.15Å; L111-Q115 WeakPolarHBondContact O-CG 3.26Å; L111-Q115 PolarHBondContact O-N 3.17Å
112N95.8Very high95.4Very high89 Ų8961.1 Ų61.148%0.47632%0.319SS..Hα-helixtrans-62.4-39.3177.5-69.3-13000111.6E108 Y110 Q115 A116E108-N112 WeakPolarHBondContact O-CB 3.36Å; E108-N112 PolarHBondContact O-N 2.97Å; E108-N112 PolarHBondContact O-ND2 3.21Å; E108-N112 PolarHBondContact O-OD1 3.49Å; Y110-N112 PolarHBondContact O-N 2.8Å; N112-Q115 PolarHBondContact O-N 3.21Å; N112-A116 VanDerWaalsContact O-CB 3.23Å; N112-A116 WeakPolarHBondContact O-CB 3.32Å; N112-A116 PolarHBondContact O-N 3.44Å
113K95.9Very high95.5Very high105 Ų10559 Ų5946%0.45731%0.31SS..Hα-helixtrans-62.5-41.3174-75.5170.7-173.5174.80112.2L50 S109 Y110 L111 A117L50-K113 HydrophobicContact CD2-CB 4.41Å; S109-K113 VanDerWaalsContact O-CG 3.26Å; S109-K113 WeakPolarHBondContact O-CG 3.37Å; S109-K113 PolarHBondContact O-N 3.11Å; Y110-K113 WeakPolarHBondContact O-CB 3.43Å; Y110-K113 PolarHBondContact O-N 2.98Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 2.86Å; K113-A117 PolarHBondContact O-N 2.83Å
114I95.5Very high95.4Very high5 Ų558 Ų583%0.02630%0.302CS..Hα-helixtrans-66-45.6177.2-67.7173.6000110.4L29 L50 Y110 L111 A117 L119 I135 L139L29-I114 HydrophobicContact CD2-CD1 4.23Å; L29-I114 HydrophobicContact CD2-CG1 4.2Å; L29-I114 HydrophobicContact CD2-CG2 4.33Å; L50-I114 HydrophobicContact CD1-CG1 4.44Å; Y110-I114 HydrophobicContact CD1-CD1 3.97Å; Y110-I114 HydrophobicContact CE1-CD1 3.5Å; Y110-I114 HydrophobicContact CE2-CD1 4.13Å; Y110-I114 HydrophobicContact CE2-CG1 4.47Å; Y110-I114 HydrophobicContact CG-CD1 4.47Å; Y110-I114 PolarHBondContact O-N 3.33Å; Y110-I114 VanDerWaalsContact O-N 3.11Å; L111-I114 PolarHBondContact O-N 3.12Å; L111-I114 VanDerWaalsContact O-N 3.15Å; I114-A117 WeakPolarHBondContact O-CB 3.43Å; I114-A117 PolarHBondContact O-N 3.36Å; I114-L119 HydrophobicContact CG2-CD1 4.13Å; I114-I135 HydrophobicContact CD1-CG2 4.43Å; I114-L139 HydrophobicContact CG2-CD1 4.02Å; I114-L139 HydrophobicContact CG2-CD2 3.71Å; I114-L139 HydrophobicContact CG2-CG 4.4Å
115Q93.8Very high95.3Very high125 Ų12558 Ų5858%0.58430%0.302SS*.Hα-helixtrans-62.3-44.8178.6-72.1176.8-7.700111.8L111 N112 A117 H118L111-Q115 WeakPolarHBondContact O-CG 3.26Å; L111-Q115 PolarHBondContact O-N 3.17Å; N112-Q115 PolarHBondContact O-N 3.21Å; Q115-A117 PolarHBondContact O-N 3.44Å; Q115-H118 PolarHBondContact O-N 3.45Å; Q115-H118 VanDerWaalsContact O-N 3.09Å
116A95.5Very high95.2Very high70 Ų7057.8 Ų57.858%0.57930%0.301SS*.Hα-helixtrans-64.8-18177.800000113.7N112 H118N112-A116 VanDerWaalsContact O-CB 3.23Å; N112-A116 WeakPolarHBondContact O-CB 3.32Å; N112-A116 PolarHBondContact O-N 3.44Å; A116-H118 VanDerWaalsContact C-N 3.26Å; A116-H118 PolarHBondContact O-CD2 3.1Å; A116-H118 VanDerWaalsContact O-CD2 3.31Å; A116-H118 PolarHBondContact O-N 2.9Å
117A95.3Very high94.9Very high11 Ų1151.7 Ų51.79%0.09127%0.274CS..THydrogen-bonded Turntrans-76.7-13.2175.700000113.3F27 L50 K113 I114 Q115 L119F27-A117 HydrophobicContact CD1-CB 4.04Å; F27-A117 HydrophobicContact CD2-CB 4.29Å; F27-A117 HydrophobicContact CE1-CB 3.92Å; F27-A117 HydrophobicContact CE2-CB 4.15Å; F27-A117 HydrophobicContact CG-CB 4.22Å; F27-A117 HydrophobicContact CZ-CB 3.96Å; L50-A117 HydrophobicContact CD1-CB 3.73Å; K113-A117 PolarHBondContact O-N 2.83Å; I114-A117 WeakPolarHBondContact O-CB 3.43Å; I114-A117 PolarHBondContact O-N 3.36Å; Q115-A117 PolarHBondContact O-N 3.44Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 HydrophobicContact CB-CD2 3.86Å; A117-L119 HydrophobicContact CB-CG 4.03Å; A117-L119 PolarHBondContact O-N 3.03Å
118H94.9Very high94.6Very high160 Ų16052.3 Ų52.374%0.74128%0.275SS*.THydrogen-bonded Turntrans48.250.8179.4-61.2-67.1000113.1Q115 A116Q115-H118 PolarHBondContact O-N 3.45Å; Q115-H118 VanDerWaalsContact O-N 3.09Å; A116-H118 VanDerWaalsContact C-N 3.26Å; A116-H118 PolarHBondContact O-CD2 3.1Å; A116-H118 VanDerWaalsContact O-CD2 3.31Å; A116-H118 PolarHBondContact O-N 2.9Å
119L95.2Very high94.4Very high32 Ų3246 Ų4617%0.16825%0.246CC..  trans-67.9135.8-178.1-53.6173.6000110.6F27 L29 I114 A117 L139 I141F27-L119 HydrophobicContact CB-CD2 4.07Å; F27-L119 HydrophobicContact CD2-CD2 3.7Å; F27-L119 HydrophobicContact CE2-CD2 4.42Å; F27-L119 HydrophobicContact CG-CD2 4.09Å; L29-L119 HydrophobicContact CD1-CD1 3.78Å; L29-L119 HydrophobicContact CD2-CD1 3.67Å; L29-L119 HydrophobicContact CG-CD1 4.32Å; I114-L119 HydrophobicContact CG2-CD1 4.13Å; A117-L119 VanDerWaalsContact C-N 3.32Å; A117-L119 HydrophobicContact CB-CD2 3.86Å; A117-L119 HydrophobicContact CB-CG 4.03Å; A117-L119 PolarHBondContact O-N 3.03Å; L119-L139 HydrophobicContact CD1-CD1 4.22Å; L119-I141 HydrophobicContact CB-CD1 3.82Å; L119-I141 WeakPolarHBondContact O-CG2 3.38Å
120D94.1Very high94.2Very high132 Ų13243 Ų4371%0.70622%0.224SC*.  trans-119.5-10.4-176.553.3-29.1000112.6P142D120-P142 WeakPolarHBondContact O-CD 3.31Å
121F95.1Very high94Very high39 Ų3943.7 Ų43.717%0.17123%0.23CC..  trans-153.5143.6175.9-163.3-88.5000110.6V123 P142 V144 I226 I468 A471 A472F121-V123 HydrophobicContact CD1-CG2 4.29Å; F121-V123 HydrophobicContact CE1-CG2 4.13Å; F121-P142 HydrophobicContact CD2-CB 3.8Å; F121-P142 HydrophobicContact CE2-CB 3.97Å; F121-V144 HydrophobicContact CE1-CG1 4.13Å; F121-V144 HydrophobicContact CE1-CG2 3.76Å; F121-V144 HydrophobicContact CZ-CB 4.48Å; F121-V144 HydrophobicContact CZ-CG1 3.65Å; F121-V144 HydrophobicContact CZ-CG2 4.16Å; F121-I226 HydrophobicContact CE2-CD1 3.79Å; F121-I226 HydrophobicContact CZ-CD1 4.09Å; F121-I468 HydrophobicContact CE1-CG2 4.02Å; F121-A471 HydrophobicContact CE2-CB 4.31Å; F121-A471 HydrophobicContact CZ-CB 3.84Å; F121-A472 HydrophobicContact CD2-CB 4.08Å; F121-A472 HydrophobicContact CE2-CB 4.11Å; F121-A472 HydrophobicContact CG-CB 4.48Å
122I95.8Very high94Very high7 Ų742.1 Ų42.14%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-128.4130.5178-166.7172.3000113.2I124 I141 P142 R143 V144I122-I124 HydrophobicContact CD1-CD1 4.29Å; I122-I124 HydrophobicContact CD1-CG1 4.08Å; I122-I124 HydrophobicContact CG1-CD1 4.5Å; I122-I124 HydrophobicContact CG1-CG1 3.91Å; I122-I124 HydrophobicContact CG2-CD1 4.35Å; I122-I124 HydrophobicContact CG2-CG1 4.38Å; I122-I141 HydrophobicContact CB-CD1 3.94Å; I122-I141 HydrophobicContact CB-CG1 4.28Å; I122-I141 HydrophobicContact CG2-CD1 4.19Å; I122-I141 HydrophobicContact CG2-CG1 3.97Å; I122-P142 PolarHBondContact N-O 3.32Å; I122-R143 HydrophobicContact CG2-CB 3.47Å; I122-R143 VanDerWaalsContact CG2-CB 3.47Å; I122-R143 VanDerWaalsContact O-CA 3.23Å; I122-R143 WeakPolarHBondContact O-CA 3.4Å; I122-V144 PolarHBondContact O-N 2.99Å; I122-V144 VanDerWaalsContact O-N 3.09Å
123V95.9Very high93.8Very high19 Ų1938 Ų3812%0.11520%0.199CC..EExtended strand (participates in β ladder)trans-103.3123.1170.5-175.40000108M1 M12 F121 V144 L146 I468M1-V123 PolarHBondContact N-O 2.89Å; M12-V123 HydrophobicContact CE-CB 4.24Å; M12-V123 HydrophobicContact CE-CG1 3.88Å; F121-V123 HydrophobicContact CD1-CG2 4.29Å; F121-V123 HydrophobicContact CE1-CG2 4.13Å; V123-V144 HydrophobicContact CB-CG2 4.17Å; V123-V144 HydrophobicContact CG1-CG2 4.05Å; V123-V144 HydrophobicContact CG2-CG2 3.81Å; V123-L146 HydrophobicContact CG1-CD1 3.52Å; V123-L146 HydrophobicContact CG1-CG 3.7Å; V123-I468 HydrophobicContact CG1-CD1 4.08Å; V123-I468 HydrophobicContact CG2-CD1 3.92Å; V123-I468 HydrophobicContact CG2-CG1 4.12Å; V123-I468 HydrophobicContact CG2-CG2 3.97Å
124I95.6Very high93.7Very high1 Ų133 Ų331%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-115.9128.4-175.1-56.3-179.9000110I122 Y126 A132 V144 Y145 L146I122-I124 HydrophobicContact CD1-CD1 4.29Å; I122-I124 HydrophobicContact CD1-CG1 4.08Å; I122-I124 HydrophobicContact CG1-CD1 4.5Å; I122-I124 HydrophobicContact CG1-CG1 3.91Å; I122-I124 HydrophobicContact CG2-CD1 4.35Å; I122-I124 HydrophobicContact CG2-CG1 4.38Å; I124-Y126 PolarHBondContact O-N 3.04Å; I124-A132 HydrophobicContact CD1-CB 4.42Å; I124-A132 HydrophobicContact CG2-CB 3.51Å; I124-V144 PolarHBondContact N-O 3.18Å; I124-Y145 HydrophobicContact CB-CD1 4.01Å; I124-Y145 HydrophobicContact CB-CE1 4.38Å; I124-Y145 HydrophobicContact CD1-CD1 4.42Å; I124-Y145 HydrophobicContact CD1-CE1 3.95Å; I124-L146 PolarHBondContact O-N 3Å
125D93.2Very high93.6Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-70.9103.3159177.524.8000108.5M1 T3 H8 M12 N129 L146M1-D125 WeakPolarHBondContact O-CB 3.39Å; M1-D125 PolarHBondContact O-N 3.47Å; T3-D125 HydrophobicContact CG2-CB 4.37Å; T3-D125 WeakPolarHBondContact CG2-OD2 3.22Å; T3-D125 PolarHBondContact OG1-OD2 3.33Å; H8-D125 WeakPolarHBondContact CB-OD2 3.35Å; H8-D125 IonicContact CE1-OD2 3.59Å; H8-D125 IonicContact CG-OD2 3.44Å; H8-D125 IonicContact ND1-OD1 3.75Å; H8-D125 IonicContact ND1-OD2 3.94Å; H8-D125 PolarHBondContact ND1-OD2 3.19Å; M12-D125 HydrophobicContact CG-CB 4.49Å; M12-D125 HydrophobicContact SD-CB 4.42Å; D125-N129 WeakPolarHBondContact O-CB 3.45Å; D125-N129 PolarHBondContact O-ND2 3.14Å; D125-L146 CarbonylContact C-O 3.46Å; D125-L146 VanDerWaalsContact CA-O 3.3Å; D125-L146 WeakPolarHBondContact CA-O 3.41Å
126Y92.5Very high93.5Very high2 Ų227 Ų271%0.00815%0.15CC..  trans-90.5-32-151.7171.9-130.3000115.5I124 L128 Y145 L146 Y155 F159 E222 Y228I124-Y126 PolarHBondContact O-N 3.04Å; Y126-L128 PolarHBondContact O-N 2.68Å; Y126-Y145 AromaticContact CD1-CD2 3.58Å; Y126-Y145 HydrophobicContact CD1-CD2 3.58Å; Y126-Y145 HydrophobicContact CD1-CE2 4.45Å; Y126-Y145 AromaticContact CD1-CG 3.88Å; Y126-Y145 HydrophobicContact CD1-CG 3.88Å; Y126-Y145 HydrophobicContact CD2-CD1 4.06Å; Y126-Y145 AromaticContact CD2-CD2 3.54Å; Y126-Y145 HydrophobicContact CD2-CD2 3.54Å; Y126-Y145 HydrophobicContact CD2-CE1 4.26Å; Y126-Y145 AromaticContact CD2-CE2 3.78Å; Y126-Y145 HydrophobicContact CD2-CE2 3.78Å; Y126-Y145 AromaticContact CD2-CG 3.74Å; Y126-Y145 HydrophobicContact CD2-CG 3.74Å; Y126-Y145 AromaticContact CE1-CD2 3.55Å; Y126-Y145 HydrophobicContact CE1-CD2 3.55Å; Y126-Y145 HydrophobicContact CE1-CE2 4.15Å; Y126-Y145 HydrophobicContact CE1-CG 4.33Å; Y126-Y145 AromaticContact CE2-CD2 3.58Å; Y126-Y145 HydrophobicContact CE2-CD2 3.58Å; Y126-Y145 AromaticContact CE2-CE2 3.49Å; Y126-Y145 HydrophobicContact CE2-CE2 3.49Å; Y126-Y145 VanDerWaalsContact CE2-CE2 3.49Å; Y126-Y145 HydrophobicContact CE2-CG 4.27Å; Y126-Y145 HydrophobicContact CG-CD1 4.18Å; Y126-Y145 AromaticContact CG-CD2 3.55Å; Y126-Y145 HydrophobicContact CG-CD2 3.55Å; Y126-Y145 HydrophobicContact CG-CE2 4.28Å; Y126-Y145 AromaticContact CG-CG 3.54Å; Y126-Y145 HydrophobicContact CG-CG 3.54Å; Y126-Y145 AromaticContact CZ-CD2 3.57Å; Y126-Y145 AromaticContact CZ-CE2 3.67Å; Y126-L146 PolarHBondContact N-O 2.99Å; Y126-Y155 HydrophobicContact CD1-CD1 4.01Å; Y126-Y155 AromaticContact CE1-CD1 3.47Å; Y126-Y155 HydrophobicContact CE1-CD1 3.47Å; Y126-Y155 VanDerWaalsContact CE1-CD1 3.47Å; Y126-Y155 HydrophobicContact CE1-CE1 4.39Å; Y126-Y155 HydrophobicContact CE1-CG 4.19Å; Y126-Y155 HydrophobicContact CE2-CD1 4.21Å; Y126-Y155 HydrophobicContact CE2-CE1 4.48Å; Y126-Y155 AromaticContact CZ-CD1 3.57Å; Y126-F159 HydrophobicContact CE1-CE2 4.15Å; Y126-E222 HydrophobicContact CE2-CG 4Å; Y126-E222 VanDerWaalsContact CE2-OE1 3.28Å; Y126-E222 WeakPolarHBondContact CE2-OE1 3.29Å; Y126-E222 VanDerWaalsContact CZ-OE1 3.27Å; Y126-E222 WeakPolarHBondContact OH-CG 3.41Å; Y126-E222 PolarHBondContact OH-OE1 3.04Å; Y126-Y228 AromaticContact CD1-CD2 3.5Å; Y126-Y228 HydrophobicContact CD1-CD2 3.5Å; Y126-Y228 VanDerWaalsContact CD1-CD2 3.5Å; Y126-Y228 AromaticContact CD1-CE2 3.56Å; Y126-Y228 HydrophobicContact CD1-CE2 3.56Å; Y126-Y228 AromaticContact CE1-CD2 3.96Å; Y126-Y228 HydrophobicContact CE1-CD2 3.96Å; Y126-Y228 HydrophobicContact CE1-CE2 4.22Å
127V91Very high93.3Very high4 Ų424.1 Ų24.12%0.02413%0.125CC..THydrogen-bonded Turntrans-75.7129.4-174.8170.60000109.8N129 S147 Y149 I152 Y155V127-N129 PolarHBondContact O-N 2.81Å; V127-S147 WeakPolarHBondContact CG2-OG 3.16Å; V127-Y149 HydrophobicContact CB-CD2 3.57Å; V127-Y149 HydrophobicContact CB-CE2 4.05Å; V127-Y149 HydrophobicContact CB-CG 4.21Å; V127-Y149 HydrophobicContact CG1-CD1 4.39Å; V127-Y149 HydrophobicContact CG1-CD2 3.46Å; V127-Y149 VanDerWaalsContact CG1-CD2 3.46Å; V127-Y149 HydrophobicContact CG1-CE2 3.68Å; V127-Y149 HydrophobicContact CG1-CG 3.84Å; V127-Y149 HydrophobicContact CG2-CD2 4.19Å; V127-Y149 HydrophobicContact CG2-CG 4.45Å; V127-I152 HydrophobicContact CG1-CD1 3.67Å; V127-I152 HydrophobicContact CG2-CD1 4.04Å; V127-Y155 HydrophobicContact CG1-CE2 4.24Å; V127-Y155 HydrophobicContact CG2-CD2 4.43Å; V127-Y155 HydrophobicContact CG2-CE2 4.49Å; V127-Y155 HydrophobicContact CG2-CG 4.44Å
128L89.6Confident93.2Very high43 Ų4326.1 Ų26.123%0.22513%0.134CC..THydrogen-bonded Turntrans54.636-176.2-58.2173.4000113.9F90 Y126 Y155 L201F90-L128 HydrophobicContact CE2-CD1 3.93Å; F90-L128 HydrophobicContact CE2-CD2 4.36Å; F90-L128 HydrophobicContact CZ-CD1 4.28Å; F90-L128 HydrophobicContact CZ-CD2 3.86Å; Y126-L128 PolarHBondContact O-N 2.68Å; L128-Y155 PolarHBondContact N-OH 2.79Å; L128-Y155 VanDerWaalsContact N-OH 3.13Å; L128-L201 HydrophobicContact CD2-CD1 3.93Å
129N91.7Very high93.1Very high16 Ų1620.6 Ų20.69%0.08611%0.11CC..  trans-131.551.9-179.8-161.2-2.1000112.3T3 D125 V127 C131 A132 L133T3-N129 HydrophobicContact CG2-CB 3.68Å; T3-N129 VanDerWaalsContact CG2-ND2 3.34Å; T3-N129 WeakPolarHBondContact CG2-ND2 3.49Å; D125-N129 WeakPolarHBondContact O-CB 3.45Å; D125-N129 PolarHBondContact O-ND2 3.14Å; V127-N129 PolarHBondContact O-N 2.81Å; N129-C131 PolarHBondContact O-N 3.17Å; N129-C131 VanDerWaalsContact O-N 3.16Å; N129-A132 HydrophobicContact CB-CB 4.37Å; N129-A132 VanDerWaalsContact CG-CB 3.44Å; N129-A132 WeakPolarHBondContact ND2-CB 3.5Å; N129-A132 PolarHBondContact O-N 3.18Å; N129-A132 VanDerWaalsContact O-N 3.08Å; N129-A132 WeakPolarHBondContact OD1-CB 3.36Å; N129-A132 PolarHBondContact OD1-N 2.92Å; N129-L133 PolarHBondContact O-N 3.23Å
130E91.9Very high92.9Very high6 Ų627.6 Ų27.63%0.02814%0.139CC..Hα-helixtrans-62.5-23-179-66.868.6-155.600111.9Y94 L133 G134 Y155 R198 I202 S205Y94-E130 WeakPolarHBondContact CE2-OE2 3.25Å; E130-L133 WeakPolarHBondContact O-CB 3.28Å; E130-L133 PolarHBondContact O-N 2.79Å; E130-G134 PolarHBondContact O-N 2.67Å; E130-Y155 PolarHBondContact OE1-OH 3.37Å; E130-R198 VanDerWaalsContact CD-NH1 3.27Å; E130-R198 IonicContact OE1-CZ 3.73Å; E130-R198 IonicContact OE1-NH1 3.13Å; E130-R198 PolarHBondContact OE1-NH1 2.96Å; E130-R198 IonicContact OE1-NH2 2.87Å; E130-R198 PolarHBondContact OE1-NH2 3.1Å; E130-I202 HydrophobicContact CG-CD1 4.45Å; E130-S205 WeakPolarHBondContact CB-OG 3.34Å
131C92.6Very high92.8Very high19 Ų1922.3 Ų22.313%0.12811%0.111CC..Hα-helixtrans-63.5-46.1172.4-165.50000112.5C101 N129 L133 G134 I135C101-C131 WeakPolarHBondContact CA-SG 3.42Å; C101-C131 HydrophobicContact CB-CB 3.56Å; C101-C131 WeakPolarHBondContact CB-SG 3.38Å; C101-C131 WeakPolarHBondContact SG-CA 3.43Å; C101-C131 WeakPolarHBondContact SG-CB 3.39Å; C101-C131 CovalentContact SG-SG 2.03Å; C101-C131 PolarHBondContact SG-SG 2.82Å; N129-C131 PolarHBondContact O-N 3.17Å; N129-C131 VanDerWaalsContact O-N 3.16Å; C131-L133 VanDerWaalsContact C-N 3.27Å; C131-L133 PolarHBondContact O-N 3.05Å; C131-G134 PolarHBondContact O-N 2.9Å; C131-G134 VanDerWaalsContact O-N 3.15Å; C131-I135 PolarHBondContact O-N 2.84Å
132A93.6Very high92.7Very high0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-63.6-36.9177.500000111.9M1 I124 N129 I135 S136M1-A132 HydrophobicContact CB-CB 4.1Å; M1-A132 HydrophobicContact CE-CB 3.86Å; M1-A132 HydrophobicContact CG-CB 3.65Å; M1-A132 VanDerWaalsContact SD-CA 3.54Å; M1-A132 HydrophobicContact SD-CB 3.38Å; M1-A132 WeakPolarHBondContact SD-CB 3.09Å; I124-A132 HydrophobicContact CD1-CB 4.42Å; I124-A132 HydrophobicContact CG2-CB 3.51Å; N129-A132 HydrophobicContact CB-CB 4.37Å; N129-A132 VanDerWaalsContact CG-CB 3.44Å; N129-A132 WeakPolarHBondContact ND2-CB 3.5Å; N129-A132 PolarHBondContact O-N 3.18Å; N129-A132 VanDerWaalsContact O-N 3.08Å; N129-A132 WeakPolarHBondContact OD1-CB 3.36Å; N129-A132 PolarHBondContact OD1-N 2.92Å; A132-I135 PolarHBondContact O-N 3.42Å; A132-S136 WeakPolarHBondContact O-CB 3.15Å; A132-S136 PolarHBondContact O-N 2.84Å
133L91.9Very high92.6Very high2 Ų221.1 Ų21.11%0.0111%0.106CC..Hα-helixtrans-60.5-47.2172.3-177.968000110.9N129 E130 C131 S136 A137 Y145 L218 E221 E222N129-L133 PolarHBondContact O-N 3.23Å; E130-L133 WeakPolarHBondContact O-CB 3.28Å; E130-L133 PolarHBondContact O-N 2.79Å; C131-L133 VanDerWaalsContact C-N 3.27Å; C131-L133 PolarHBondContact O-N 3.05Å; L133-S136 PolarHBondContact O-N 2.84Å; L133-S136 PolarHBondContact O-OG 3.15Å; L133-A137 PolarHBondContact O-N 3.41Å; L133-Y145 WeakPolarHBondContact CD1-OH 3.28Å; L133-L218 HydrophobicContact CB-CD2 4.46Å; L133-L218 HydrophobicContact CD2-CB 3.79Å; L133-L218 HydrophobicContact CD2-CD1 4.45Å; L133-L218 HydrophobicContact CD2-CD2 3.78Å; L133-L218 HydrophobicContact CD2-CG 4.21Å; L133-L218 HydrophobicContact CG-CD2 3.82Å; L133-E221 HydrophobicContact CD1-CB 4.07Å; L133-E221 HydrophobicContact CG-CB 4.5Å; L133-E222 HydrophobicContact CD1-CG 4.03Å; L133-E222 HydrophobicContact CD2-CG 3.51Å; L133-E222 HydrophobicContact CG-CG 4.44Å
134G92.9Very high92.6Very high0 Ų020.2 Ų20.20%010%0.101CC..Hα-helixtrans-58.2-47.617500000113.2E130 C131 S136 A137 I138E130-G134 PolarHBondContact O-N 2.67Å; C131-G134 PolarHBondContact O-N 2.9Å; C131-G134 VanDerWaalsContact O-N 3.15Å; G134-S136 VanDerWaalsContact C-N 3.3Å; G134-S136 PolarHBondContact O-N 3.3Å; G134-A137 WeakPolarHBondContact O-CB 2.97Å; G134-A137 PolarHBondContact O-N 3.42Å; G134-A137 VanDerWaalsContact O-N 3.15Å; G134-I138 WeakPolarHBondContact O-CG1 3.29Å; G134-I138 PolarHBondContact O-N 3.13Å
135I93.4Very high92.5Very high5 Ų520.1 Ų20.13%0.02610%0.101CC..Hα-helixtrans-60.1-41.6175.2-70.1163000110.8M1 V31 L105 Y110 I114 C131 A132 A137 I138 L139M1-I135 HydrophobicContact CE-CD1 3.64Å; M1-I135 HydrophobicContact SD-CD1 3.95Å; V31-I135 HydrophobicContact CG2-CD1 4.47Å; L105-I135 HydrophobicContact CD2-CD1 4.47Å; L105-I135 HydrophobicContact CD2-CG1 3.72Å; Y110-I135 HydrophobicContact CE1-CD1 4.37Å; I114-I135 HydrophobicContact CD1-CG2 4.43Å; C131-I135 PolarHBondContact O-N 2.84Å; A132-I135 PolarHBondContact O-N 3.42Å; I135-A137 VanDerWaalsContact C-N 3.28Å; I135-A137 PolarHBondContact O-N 2.94Å; I135-I138 PolarHBondContact O-N 3.41Å; I135-L139 HydrophobicContact CG2-CD1 4.01Å; I135-L139 HydrophobicContact CG2-CG 4.4Å; I135-L139 WeakPolarHBondContact O-CG 3.19Å; I135-L139 PolarHBondContact O-N 2.8Å
136S92.7Very high92.5Very high0 Ų020.3 Ų20.30%010%0.101CC..Hα-helixtrans-66-29.5177.880.20000113.7A132 L133 G134 K140 R143A132-S136 WeakPolarHBondContact O-CB 3.15Å; A132-S136 PolarHBondContact O-N 2.84Å; L133-S136 PolarHBondContact O-N 2.84Å; L133-S136 PolarHBondContact O-OG 3.15Å; G134-S136 VanDerWaalsContact C-N 3.3Å; G134-S136 PolarHBondContact O-N 3.3Å; S136-K140 PolarHBondContact O-N 2.91Å; S136-K140 VanDerWaalsContact O-N 3.14Å; S136-R143 PolarHBondContact O-NH2 2.9Å; S136-R143 PolarHBondContact OG-NE 3.41Å
137A91.5Very high92.3Very high8 Ų820.2 Ų20.27%0.06610%0.101CC..Hα-helixtrans-72-38.3173.800000111.3L133 G134 I135 K140 A216 E221L133-A137 PolarHBondContact O-N 3.41Å; G134-A137 WeakPolarHBondContact O-CB 2.97Å; G134-A137 PolarHBondContact O-N 3.42Å; G134-A137 VanDerWaalsContact O-N 3.15Å; I135-A137 VanDerWaalsContact C-N 3.28Å; I135-A137 PolarHBondContact O-N 2.94Å; A137-K140 VanDerWaalsContact O-CG 3.22Å; A137-K140 WeakPolarHBondContact O-CG 3.39Å; A137-K140 PolarHBondContact O-N 2.98Å; A137-A216 HydrophobicContact CB-CB 3.87Å; A137-E221 HydrophobicContact CB-CB 4.42Å; A137-E221 HydrophobicContact CB-CG 3.65Å
138I92.7Very high92.1Very high53 Ų5320.7 Ų20.727%0.27210%0.103SC..Hα-helixtrans-64.4-43.2174.8-64.3166.6000110.7L105 G134 I135 K140 L209 Y214L105-I138 HydrophobicContact CD2-CD1 3.68Å; G134-I138 WeakPolarHBondContact O-CG1 3.29Å; G134-I138 PolarHBondContact O-N 3.13Å; I135-I138 PolarHBondContact O-N 3.41Å; I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 3.16Å; I138-L209 HydrophobicContact CD1-CD2 4.38Å; I138-Y214 HydrophobicContact CD1-CD1 3.8Å; I138-Y214 HydrophobicContact CD1-CD2 3.65Å; I138-Y214 HydrophobicContact CD1-CE1 3.83Å; I138-Y214 HydrophobicContact CD1-CE2 3.71Å; I138-Y214 HydrophobicContact CD1-CG 3.7Å; I138-Y214 HydrophobicContact CG1-CD1 3.58Å; I138-Y214 HydrophobicContact CG1-CD2 4.29Å; I138-Y214 HydrophobicContact CG1-CE1 3.86Å; I138-Y214 HydrophobicContact CG1-CG 3.8Å; I138-Y214 HydrophobicContact CG2-CD1 4.31Å; I138-Y214 HydrophobicContact CG2-CE1 3.86Å
139L92.4Very high92.2Very high45 Ų4520.8 Ų20.824%0.23610%0.101CC..Hα-helixtrans-71.8-24.6-179.8-66174.8000113.6I114 L119 I135 I141I114-L139 HydrophobicContact CG2-CD1 4.02Å; I114-L139 HydrophobicContact CG2-CD2 3.71Å; I114-L139 HydrophobicContact CG2-CG 4.4Å; L119-L139 HydrophobicContact CD1-CD1 4.22Å; I135-L139 HydrophobicContact CG2-CD1 4.01Å; I135-L139 HydrophobicContact CG2-CG 4.4Å; I135-L139 WeakPolarHBondContact O-CG 3.19Å; I135-L139 PolarHBondContact O-N 2.8Å; L139-I141 HydrophobicContact CB-CD1 4.08Å; L139-I141 HydrophobicContact CB-CG1 3.88Å; L139-I141 HydrophobicContact CB-CG2 4.47Å; L139-I141 HydrophobicContact CD1-CD1 3.98Å; L139-I141 WeakPolarHBondContact O-CG2 3.43Å; L139-I141 PolarHBondContact O-N 3.43Å
140K90.4Very high92.2Very high179 Ų17920 Ų2078%0.77810%0.097SC*.THydrogen-bonded Turntrans53.734.3-178.3-58.6-176.4179.4-179.40114.2S136 A137 I138S136-K140 PolarHBondContact O-N 2.91Å; S136-K140 VanDerWaalsContact O-N 3.14Å; A137-K140 VanDerWaalsContact O-CG 3.22Å; A137-K140 WeakPolarHBondContact O-CG 3.39Å; A137-K140 PolarHBondContact O-N 2.98Å; I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 3.16Å
141I91.8Very high92.2Very high21 Ų2119.8 Ų19.811%0.10810%0.096CC..  trans-103.5154.1178.859.3-179.8000112.4L119 I122 L139L119-I141 HydrophobicContact CB-CD1 3.82Å; L119-I141 WeakPolarHBondContact O-CG2 3.38Å; I122-I141 HydrophobicContact CB-CD1 3.94Å; I122-I141 HydrophobicContact CB-CG1 4.28Å; I122-I141 HydrophobicContact CG2-CD1 4.19Å; I122-I141 HydrophobicContact CG2-CG1 3.97Å; L139-I141 HydrophobicContact CB-CD1 4.08Å; L139-I141 HydrophobicContact CB-CG1 3.88Å; L139-I141 HydrophobicContact CB-CG2 4.47Å; L139-I141 HydrophobicContact CD1-CD1 3.98Å; L139-I141 WeakPolarHBondContact O-CG2 3.43Å; L139-I141 PolarHBondContact O-N 3.43Å
142P93.1Very high92.2Very high15 Ų1519.7 Ų19.710%0.0979%0.094CC..  trans-55141.8175.1-2029.9000111.7D120 F121 I122 I226D120-P142 WeakPolarHBondContact O-CD 3.31Å; F121-P142 HydrophobicContact CD2-CB 3.8Å; F121-P142 HydrophobicContact CE2-CB 3.97Å; I122-P142 PolarHBondContact N-O 3.32Å; P142-I226 HydrophobicContact CB-CD1 4.25Å
143R93.9Very high92Very high5 Ų519.7 Ų19.72%0.0199%0.094CC..EExtended strand (participates in β ladder)trans-138.8150.7-173.570.1-166.773.3121.6-9.6113.7I122 S136 Y145 E221 A225 I226I122-R143 HydrophobicContact CG2-CB 3.47Å; I122-R143 VanDerWaalsContact CG2-CB 3.47Å; I122-R143 VanDerWaalsContact O-CA 3.23Å; I122-R143 WeakPolarHBondContact O-CA 3.4Å; S136-R143 PolarHBondContact O-NH2 2.9Å; S136-R143 PolarHBondContact OG-NE 3.41Å; R143-Y145 HydrophobicContact CB-CE1 4.49Å; R143-Y145 VanDerWaalsContact CD-OH 3.27Å; R143-Y145 WeakPolarHBondContact CD-OH 3.39Å; R143-Y145 HydrophobicContact CG-CE1 3.96Å; R143-E221 IonicContact CZ-OE2 2.85Å; R143-E221 VanDerWaalsContact CZ-OE2 3.25Å; R143-E221 PolarHBondContact NH1-O 3.42Å; R143-E221 IonicContact NH1-OE2 3.22Å; R143-E221 PolarHBondContact NH1-OE2 3.5Å; R143-E221 IonicContact NH2-OE2 2.7Å; R143-E221 PolarHBondContact NH2-OE2 3.37Å; R143-A225 HydrophobicContact CG-CB 4.01Å; R143-A225 WeakPolarHBondContact O-CA 3.45Å; R143-I226 PolarHBondContact O-N 3.11Å
144V95.4Very high92Very high0 Ų020 Ų200%010%0.096CC..EExtended strand (participates in β ladder)trans-130.2149.1168.9-64.30000109.5F121 I122 V123 I124 I226 F227 I468 A471F121-V144 HydrophobicContact CE1-CG1 4.13Å; F121-V144 HydrophobicContact CE1-CG2 3.76Å; F121-V144 HydrophobicContact CZ-CB 4.48Å; F121-V144 HydrophobicContact CZ-CG1 3.65Å; F121-V144 HydrophobicContact CZ-CG2 4.16Å; I122-V144 PolarHBondContact O-N 2.99Å; I122-V144 VanDerWaalsContact O-N 3.09Å; V123-V144 HydrophobicContact CB-CG2 4.17Å; V123-V144 HydrophobicContact CG1-CG2 4.05Å; V123-V144 HydrophobicContact CG2-CG2 3.81Å; I124-V144 PolarHBondContact N-O 3.18Å; V144-I226 HydrophobicContact CG1-CB 3.99Å; V144-I226 HydrophobicContact CG1-CD1 4.23Å; V144-F227 HydrophobicContact CB-CD1 4.28Å; V144-F227 HydrophobicContact CB-CD2 4.48Å; V144-F227 HydrophobicContact CB-CE1 3.91Å; V144-F227 HydrophobicContact CB-CE2 4.1Å; V144-F227 HydrophobicContact CB-CZ 3.8Å; V144-F227 HydrophobicContact CG1-CD1 3.62Å; V144-F227 HydrophobicContact CG1-CE1 3.33Å; V144-F227 HydrophobicContact CG1-CE2 4.41Å; V144-F227 HydrophobicContact CG1-CG 4.28Å; V144-F227 HydrophobicContact CG1-CZ 3.77Å; V144-F227 HydrophobicContact CG2-CZ 4.16Å; V144-I468 HydrophobicContact CG2-CG1 4.11Å; V144-A471 HydrophobicContact CG1-CB 3.81Å
145Y94.8Very high91.9Very high0 Ų020.3 Ų20.30%010%0.097CC..EExtended strand (participates in β ladder)trans-106.8124.9179.4-63.3-18.4000109.9I124 Y126 L133 R143 F159 E221 E222 A225 F227 Y228 A229I124-Y145 HydrophobicContact CB-CD1 4.01Å; I124-Y145 HydrophobicContact CB-CE1 4.38Å; I124-Y145 HydrophobicContact CD1-CD1 4.42Å; I124-Y145 HydrophobicContact CD1-CE1 3.95Å; Y126-Y145 AromaticContact CD1-CD2 3.58Å; Y126-Y145 HydrophobicContact CD1-CD2 3.58Å; Y126-Y145 HydrophobicContact CD1-CE2 4.45Å; Y126-Y145 AromaticContact CD1-CG 3.88Å; Y126-Y145 HydrophobicContact CD1-CG 3.88Å; Y126-Y145 HydrophobicContact CD2-CD1 4.06Å; Y126-Y145 AromaticContact CD2-CD2 3.54Å; Y126-Y145 HydrophobicContact CD2-CD2 3.54Å; Y126-Y145 HydrophobicContact CD2-CE1 4.26Å; Y126-Y145 AromaticContact CD2-CE2 3.78Å; Y126-Y145 HydrophobicContact CD2-CE2 3.78Å; Y126-Y145 AromaticContact CD2-CG 3.74Å; Y126-Y145 HydrophobicContact CD2-CG 3.74Å; Y126-Y145 AromaticContact CE1-CD2 3.55Å; Y126-Y145 HydrophobicContact CE1-CD2 3.55Å; Y126-Y145 HydrophobicContact CE1-CE2 4.15Å; Y126-Y145 HydrophobicContact CE1-CG 4.33Å; Y126-Y145 AromaticContact CE2-CD2 3.58Å; Y126-Y145 HydrophobicContact CE2-CD2 3.58Å; Y126-Y145 AromaticContact CE2-CE2 3.49Å; Y126-Y145 HydrophobicContact CE2-CE2 3.49Å; Y126-Y145 VanDerWaalsContact CE2-CE2 3.49Å; Y126-Y145 HydrophobicContact CE2-CG 4.27Å; Y126-Y145 HydrophobicContact CG-CD1 4.18Å; Y126-Y145 AromaticContact CG-CD2 3.55Å; Y126-Y145 HydrophobicContact CG-CD2 3.55Å; Y126-Y145 HydrophobicContact CG-CE2 4.28Å; Y126-Y145 AromaticContact CG-CG 3.54Å; Y126-Y145 HydrophobicContact CG-CG 3.54Å; Y126-Y145 AromaticContact CZ-CD2 3.57Å; Y126-Y145 AromaticContact CZ-CE2 3.67Å; L133-Y145 WeakPolarHBondContact CD1-OH 3.28Å; R143-Y145 HydrophobicContact CB-CE1 4.49Å; R143-Y145 VanDerWaalsContact CD-OH 3.27Å; R143-Y145 WeakPolarHBondContact CD-OH 3.39Å; R143-Y145 HydrophobicContact CG-CE1 3.96Å; Y145-F159 AromaticContact CD2-CE2 3.97Å; Y145-F159 HydrophobicContact CD2-CE2 3.97Å; Y145-F159 AromaticContact CD2-CZ 3.43Å; Y145-F159 HydrophobicContact CD2-CZ 3.43Å; Y145-F159 VanDerWaalsContact CD2-CZ 3.43Å; Y145-F159 HydrophobicContact CE2-CE2 4.34Å; Y145-F159 AromaticContact CE2-CZ 3.78Å; Y145-F159 HydrophobicContact CE2-CZ 3.78Å; Y145-F159 HydrophobicContact CG-CZ 4.47Å; Y145-E221 PolarHBondContact OH-O 2.88Å; Y145-E222 HydrophobicContact CE2-CB 4.48Å; Y145-E222 WeakPolarHBondContact OH-CA 3.48Å; Y145-A225 HydrophobicContact CD1-CB 4.21Å; Y145-A225 HydrophobicContact CD2-CB 3.71Å; Y145-A225 HydrophobicContact CE1-CB 3.91Å; Y145-A225 HydrophobicContact CE2-CB 3.35Å; Y145-A225 HydrophobicContact CG-CB 4.09Å; Y145-A225 VanDerWaalsContact CZ-CB 3.45Å; Y145-F227 PolarHBondContact N-O 3.41Å; Y145-Y228 CarbonylContact O-C 3.59Å; Y145-Y228 WeakPolarHBondContact O-CA 3.45Å; Y145-A229 PolarHBondContact O-N 3.36Å
146L93.3Very high91.7Very high3 Ų320.1 Ų20.12%0.01610%0.096CC..EExtended strand (participates in β ladder)trans-108.9153.6164.4-58.3-174.1000107.7I15 V123 I124 D125 Y126 F227 A229 L249 I468I15-L146 HydrophobicContact CD1-CD1 3.36Å; I15-L146 HydrophobicContact CG1-CD1 4.43Å; V123-L146 HydrophobicContact CG1-CD1 3.52Å; V123-L146 HydrophobicContact CG1-CG 3.7Å; I124-L146 PolarHBondContact O-N 3Å; D125-L146 CarbonylContact C-O 3.46Å; D125-L146 VanDerWaalsContact CA-O 3.3Å; D125-L146 WeakPolarHBondContact CA-O 3.41Å; Y126-L146 PolarHBondContact N-O 2.99Å; L146-F227 HydrophobicContact CD2-CE2 4.02Å; L146-A229 CarbonylContact C-O 3.51Å; L146-A229 WeakPolarHBondContact CA-O 3.39Å; L146-A229 HydrophobicContact CD2-CB 3.67Å; L146-L249 HydrophobicContact CD2-CD1 4.05Å; L146-I468 HydrophobicContact CD1-CD1 4.09Å
147S88.7Confident91.3Very high1 Ų123.4 Ų23.41%0.00711%0.114CC..  trans-131.1157175.4-168.50000109.3V127 Y149 Y228 A229 P231V127-S147 WeakPolarHBondContact CG2-OG 3.16Å; S147-Y149 WeakPolarHBondContact OG-CB 3.49Å; S147-Y149 PolarHBondContact OG-N 3.04Å; S147-Y228 WeakPolarHBondContact CB-OH 3.01Å; S147-Y228 PolarHBondContact OG-OH 2.97Å; S147-A229 PolarHBondContact N-O 3.49Å; S147-P231 WeakPolarHBondContact O-CD 3.39Å
148N86Confident90.9Very high13 Ų1323.7 Ų23.77%0.0711%0.114CC..SBendtrans-102.711161.4-163.132.9000112.4H8 M11 M358 S359H8-N148 VanDerWaalsContact CE1-CB 3.43Å; H8-N148 WeakPolarHBondContact CE1-CB 3.3Å; H8-N148 PolarHBondContact NE2-ND2 3.25Å; M11-N148 HydrophobicContact CE-CB 4.25Å; M11-N148 HydrophobicContact SD-CB 4.19Å; N148-M358 VanDerWaalsContact O-CB 3.31Å; N148-M358 WeakPolarHBondContact O-CB 3.37Å; N148-S359 PolarHBondContact OD1-OG 3.45Å; N148-S359 VanDerWaalsContact OD1-OG 3.1Å
149Y90.8Very high90.5Very high46 Ų4621.2 Ų21.218%0.1810%0.102CC..SBendtrans-108.4161.9178.7-70.5-94.4000110.6H8 V127 S147 I152 T230 D379H8-Y149 AromaticContact CE1-CE2 3.67Å; V127-Y149 HydrophobicContact CB-CD2 3.57Å; V127-Y149 HydrophobicContact CB-CE2 4.05Å; V127-Y149 HydrophobicContact CB-CG 4.21Å; V127-Y149 HydrophobicContact CG1-CD1 4.39Å; V127-Y149 HydrophobicContact CG1-CD2 3.46Å; V127-Y149 VanDerWaalsContact CG1-CD2 3.46Å; V127-Y149 HydrophobicContact CG1-CE2 3.68Å; V127-Y149 HydrophobicContact CG1-CG 3.84Å; V127-Y149 HydrophobicContact CG2-CD2 4.19Å; V127-Y149 HydrophobicContact CG2-CG 4.45Å; S147-Y149 WeakPolarHBondContact OG-CB 3.49Å; S147-Y149 PolarHBondContact OG-N 3.04Å; Y149-I152 HydrophobicContact CD1-CD1 4.41Å; Y149-I152 HydrophobicContact CG-CD1 4.36Å; Y149-T230 PolarHBondContact O-OG1 3.47Å; Y149-D379 HydrophobicContact CD1-CB 3.86Å; Y149-D379 VanDerWaalsContact CD1-CG 3.45Å; Y149-D379 WeakPolarHBondContact CD1-OD1 3.12Å; Y149-D379 HydrophobicContact CE1-CB 4.45Å; Y149-D379 WeakPolarHBondContact CE1-OD1 3.47Å
150P91.8Very high90Very high0 Ų021.1 Ų21.10%011%0.112CC..  trans-59.9169.6163.330.2-38.4000111.1I152 V171 L232 M358 D379 Y382P150-I152 VanDerWaalsContact O-CG1 3.31Å; P150-I152 WeakPolarHBondContact O-CG1 3.43Å; P150-I152 PolarHBondContact O-N 3.3Å; P150-V171 HydrophobicContact CG-CG1 4.08Å; P150-V171 HydrophobicContact CG-CG2 4.17Å; P150-L232 HydrophobicContact CB-CD2 3.74Å; P150-M358 HydrophobicContact CB-SD 4.3Å; P150-D379 WeakPolarHBondContact CD-OD2 3.4Å; P150-D379 HydrophobicContact CG-CB 3.67Å; P150-Y382 HydrophobicContact CB-CD1 3.97Å; P150-Y382 HydrophobicContact CB-CE1 3.89Å; P150-Y382 HydrophobicContact CG-CD1 3.94Å; P150-Y382 HydrophobicContact CG-CE1 4.33Å
151L91.8Very high89.8Confident0 Ų012.6 Ų12.60%08%0.075CC..  trans-67.6104175.5-176.167.1000110.8V161 Y228 T230 R240 L242 V246 Y248L151-V161 HydrophobicContact CD2-CG1 4.07Å; L151-Y228 HydrophobicContact CD1-CD1 3.55Å; L151-Y228 HydrophobicContact CD1-CE1 3.22Å; L151-Y228 HydrophobicContact CG-CE1 4.44Å; L151-T230 HydrophobicContact CB-CG2 4.46Å; L151-R240 PolarHBondContact O-NH1 2.96Å; L151-R240 VanDerWaalsContact O-NH1 3.1Å; L151-R240 PolarHBondContact O-NH2 3.5Å; L151-L242 HydrophobicContact CD2-CD2 4.28Å; L151-V246 HydrophobicContact CD1-CG1 4.12Å; L151-V246 HydrophobicContact CD2-CG1 4.03Å; L151-Y248 WeakPolarHBondContact CD2-OH 3.18Å
152I92.9Very high89.5Confident17 Ų1713.6 Ų13.69%0.0878%0.083CC..  trans-85.7133.2-177.8-48.2-177.6000110.4V127 Y149 P150 V154 Y155 S156 V171V127-I152 HydrophobicContact CG1-CD1 3.67Å; V127-I152 HydrophobicContact CG2-CD1 4.04Å; Y149-I152 HydrophobicContact CD1-CD1 4.41Å; Y149-I152 HydrophobicContact CG-CD1 4.36Å; P150-I152 VanDerWaalsContact O-CG1 3.31Å; P150-I152 WeakPolarHBondContact O-CG1 3.43Å; P150-I152 PolarHBondContact O-N 3.3Å; I152-V154 HydrophobicContact CG2-CG2 4.02Å; I152-V154 PolarHBondContact O-N 3Å; I152-Y155 HydrophobicContact CB-CD2 3.81Å; I152-Y155 HydrophobicContact CD1-CD2 4.13Å; I152-Y155 HydrophobicContact CD1-CE2 4.27Å; I152-Y155 HydrophobicContact CG1-CD2 4.45Å; I152-Y155 HydrophobicContact CG2-CD2 3.93Å; I152-Y155 PolarHBondContact O-N 3.45Å; I152-S156 WeakPolarHBondContact O-CB 3.01Å; I152-S156 PolarHBondContact O-N 3.31Å; I152-S156 PolarHBondContact O-OG 3.23Å; I152-V171 HydrophobicContact CB-CG2 4.26Å; I152-V171 HydrophobicContact CG1-CB 4.45Å; I152-V171 HydrophobicContact CG1-CG1 4.36Å; I152-V171 HydrophobicContact CG1-CG2 4.1Å; I152-V171 HydrophobicContact CG2-CB 4.31Å; I152-V171 HydrophobicContact CG2-CG2 4.29Å
153E90.2Very high89.4Confident1 Ų113.2 Ų13.21%0.0058%0.08CC..Hα-helixtrans-47.2-50.4-176.453.8-87.8-159.200114.1Y155 S156 N157 A170 V171 H191E153-Y155 PolarHBondContact O-N 2.91Å; E153-S156 WeakPolarHBondContact CA-OG 3.47Å; E153-S156 PolarHBondContact O-N 2.88Å; E153-S156 PolarHBondContact O-OG 2.91Å; E153-N157 PolarHBondContact O-N 2.9Å; E153-N157 PolarHBondContact O-OD1 2.78Å; E153-A170 WeakPolarHBondContact OE1-CA 3.47Å; E153-A170 VanDerWaalsContact OE1-CB 3.27Å; E153-A170 WeakPolarHBondContact OE1-CB 3.31Å; E153-V171 PolarHBondContact OE1-N 3.34Å; E153-V171 PolarHBondContact OE2-N 3.43Å; E153-V171 VanDerWaalsContact OE2-N 3.12Å; E153-H191 WeakPolarHBondContact CG-ND1 3.41Å
154V91.2Very high89.2Confident8 Ų816.3 Ų16.35%0.04810%0.097CC..Hα-helixtrans-74.8-11-175-61.60000114.3I152 T194 I195 R198 R219I152-V154 HydrophobicContact CG2-CG2 4.02Å; I152-V154 PolarHBondContact O-N 3Å; V154-T194 HydrophobicContact CG1-CG2 3.78Å; V154-T194 HydrophobicContact CG2-CG2 3.97Å; V154-I195 HydrophobicContact CG1-CB 4.39Å; V154-I195 HydrophobicContact CG1-CG1 3.81Å; V154-R198 HydrophobicContact CB-CB 3.94Å; V154-R198 HydrophobicContact CB-CG 4.01Å; V154-R198 HydrophobicContact CG1-CB 4.34Å; V154-R198 HydrophobicContact CG2-CB 3.87Å; V154-R198 HydrophobicContact CG2-CG 3.95Å; V154-R219 PolarHBondContact O-NH1 3.14Å
155Y91.7Very high89.1Confident7 Ų717.2 Ų17.23%0.02710%0.103CC..Hα-helixtrans-102-27.8174.1-70.8-86.6000111.4Y126 V127 L128 E130 I152 E153 T158 F159Y126-Y155 HydrophobicContact CD1-CD1 4.01Å; Y126-Y155 AromaticContact CE1-CD1 3.47Å; Y126-Y155 HydrophobicContact CE1-CD1 3.47Å; Y126-Y155 VanDerWaalsContact CE1-CD1 3.47Å; Y126-Y155 HydrophobicContact CE1-CE1 4.39Å; Y126-Y155 HydrophobicContact CE1-CG 4.19Å; Y126-Y155 HydrophobicContact CE2-CD1 4.21Å; Y126-Y155 HydrophobicContact CE2-CE1 4.48Å; Y126-Y155 AromaticContact CZ-CD1 3.57Å; V127-Y155 HydrophobicContact CG1-CE2 4.24Å; V127-Y155 HydrophobicContact CG2-CD2 4.43Å; V127-Y155 HydrophobicContact CG2-CE2 4.49Å; V127-Y155 HydrophobicContact CG2-CG 4.44Å; L128-Y155 PolarHBondContact N-OH 2.79Å; L128-Y155 VanDerWaalsContact N-OH 3.13Å; E130-Y155 PolarHBondContact OE1-OH 3.37Å; I152-Y155 HydrophobicContact CB-CD2 3.81Å; I152-Y155 HydrophobicContact CD1-CD2 4.13Å; I152-Y155 HydrophobicContact CD1-CE2 4.27Å; I152-Y155 HydrophobicContact CG1-CD2 4.45Å; I152-Y155 HydrophobicContact CG2-CD2 3.93Å; I152-Y155 PolarHBondContact O-N 3.45Å; E153-Y155 PolarHBondContact O-N 2.91Å; Y155-T158 PolarHBondContact O-OG1 3.09Å; Y155-F159 WeakPolarHBondContact O-CD2 3.48Å
156S88.9Confident89Confident0 Ų019.9 Ų19.90%012%0.122CC..Hα-helixtrans-76.2-29.5-17866.10000114.3I152 E153 T158 F159 V161 S163I152-S156 WeakPolarHBondContact O-CB 3.01Å; I152-S156 PolarHBondContact O-N 3.31Å; I152-S156 PolarHBondContact O-OG 3.23Å; E153-S156 WeakPolarHBondContact CA-OG 3.47Å; E153-S156 PolarHBondContact O-N 2.88Å; E153-S156 PolarHBondContact O-OG 2.91Å; S156-T158 VanDerWaalsContact C-N 3.26Å; S156-T158 PolarHBondContact O-N 3.12Å; S156-F159 WeakPolarHBondContact O-CB 3.24Å; S156-F159 PolarHBondContact O-N 2.88Å; S156-V161 CarbonylContact C-O 3.6Å; S156-V161 PolarHBondContact O-N 2.81Å; S156-V161 PolarHBondContact OG-O 3.01Å; S156-S163 PolarHBondContact OG-OG 3.5Å; S156-S163 VanDerWaalsContact OG-OG 3.05Å
157N83.7Confident88.9Confident70 Ų7024.1 Ų24.137%0.37414%0.138SC..G310 helixtrans-61.1-33.4-176.3-69.4-10.3000112.7E153 F159 G160 V161E153-N157 PolarHBondContact O-N 2.9Å; E153-N157 PolarHBondContact O-OD1 2.78Å; N157-F159 PolarHBondContact O-N 3.39Å; N157-F159 VanDerWaalsContact O-N 3.09Å; N157-G160 PolarHBondContact O-N 2.83Å; N157-G160 VanDerWaalsContact O-N 3.08Å; N157-V161 PolarHBondContact OD1-O 3.26Å
158T83.2Confident89.1Confident13 Ų1324.1 Ų24.18%0.0814%0.138CC..G310 helixtrans-67.8-7.4177550000113.6Y155 S156 E222Y155-T158 PolarHBondContact O-OG1 3.09Å; S156-T158 VanDerWaalsContact C-N 3.26Å; S156-T158 PolarHBondContact O-N 3.12Å; T158-E222 HydrophobicContact CG2-CB 4.17Å
159F84.6Confident89.5Confident1 Ų123.5 Ų23.50%0.00414%0.135CC..G310 helixtrans-109.916.6176.5-65.7-88.3000112.4Y126 Y145 Y155 S156 N157 V161 A225 Y228 S243 S245 V246 K488Y126-F159 HydrophobicContact CE1-CE2 4.15Å; Y145-F159 AromaticContact CD2-CE2 3.97Å; Y145-F159 HydrophobicContact CD2-CE2 3.97Å; Y145-F159 AromaticContact CD2-CZ 3.43Å; Y145-F159 HydrophobicContact CD2-CZ 3.43Å; Y145-F159 VanDerWaalsContact CD2-CZ 3.43Å; Y145-F159 HydrophobicContact CE2-CE2 4.34Å; Y145-F159 AromaticContact CE2-CZ 3.78Å; Y145-F159 HydrophobicContact CE2-CZ 3.78Å; Y145-F159 HydrophobicContact CG-CZ 4.47Å; Y155-F159 WeakPolarHBondContact O-CD2 3.48Å; S156-F159 WeakPolarHBondContact O-CB 3.24Å; S156-F159 PolarHBondContact O-N 2.88Å; N157-F159 PolarHBondContact O-N 3.39Å; N157-F159 VanDerWaalsContact O-N 3.09Å; F159-V161 PolarHBondContact O-N 2.83Å; F159-A225 HydrophobicContact CE1-CB 3.98Å; F159-A225 HydrophobicContact CZ-CB 3.89Å; F159-Y228 HydrophobicContact CE2-CG 4.4Å; F159-S243 WeakPolarHBondContact O-CB 3.34Å; F159-S243 PolarHBondContact O-OG 3.46Å; F159-S245 PolarHBondContact O-OG 3.47Å; F159-V246 HydrophobicContact CB-CG2 3.76Å; F159-V246 HydrophobicContact CG-CG2 4.34Å; F159-K488 VanDerWaalsContact CD1-NZ 3.34Å
160G81.2Confident89.5Confident43 Ų4321.4 Ų21.444%0.44313%0.127SC..THydrogen-bonded Turntrans6627-178.500000112.8N157 P162N157-G160 PolarHBondContact O-N 2.83Å; N157-G160 VanDerWaalsContact O-N 3.08Å; G160-P162 VanDerWaalsContact O-CD 3.27Å; G160-P162 WeakPolarHBondContact O-CD 3.24Å
161V87Confident89.6Confident0 Ų021.5 Ų21.50%013%0.127CC..  trans-11089.2177171.90000108.6L151 S156 N157 F159 S163 R240 P241 L242 V246L151-V161 HydrophobicContact CD2-CG1 4.07Å; S156-V161 CarbonylContact C-O 3.6Å; S156-V161 PolarHBondContact O-N 2.81Å; S156-V161 PolarHBondContact OG-O 3.01Å; N157-V161 PolarHBondContact OD1-O 3.26Å; F159-V161 PolarHBondContact O-N 2.83Å; V161-S163 PolarHBondContact O-N 3.06Å; V161-R240 HydrophobicContact CG1-CG 4.37Å; V161-P241 WeakPolarHBondContact CG1-O 3.45Å; V161-L242 HydrophobicContact CG1-CD2 4.31Å; V161-V246 HydrophobicContact CG2-CB 4.33Å; V161-V246 HydrophobicContact CG2-CG2 3.64Å
162P85.6Confident89.5Confident43 Ų4323 Ų2328%0.27914%0.135SC..  trans-67.9135.2-18028.3-34.6000110.4G160 P241G160-P162 VanDerWaalsContact O-CD 3.27Å; G160-P162 WeakPolarHBondContact O-CD 3.24Å; P162-P241 HydrophobicContact CG-CB 4.31Å; P162-P241 HydrophobicContact CG-CG 4.12Å
163S90.3Very high89.2Confident6 Ų622.3 Ų22.34%0.04213%0.132CC..  trans-110.480.9177.6-66.60000110.6S156 V161 P165 H191 R240S156-S163 PolarHBondContact OG-OG 3.5Å; S156-S163 VanDerWaalsContact OG-OG 3.05Å; V161-S163 PolarHBondContact O-N 3.06Å; S163-P165 WeakPolarHBondContact O-CD 3.22Å; S163-H191 PolarHBondContact O-CE1 3Å; S163-R240 PolarHBondContact OG-NH1 3.22Å; S163-R240 VanDerWaalsContact OG-NH1 3.14Å
164N90.6Very high88.9Confident70 Ų7024.5 Ų24.537%0.37415%0.146SC..  trans-66.9118.1-178.4-175-36.6000110.8S166 Y167 V168N164-S166 VanDerWaalsContact CG-OG 3.32Å; N164-S166 PolarHBondContact O-N 3.48Å; N164-S166 VanDerWaalsContact OD1-CB 3.28Å; N164-S166 WeakPolarHBondContact OD1-CB 3.28Å; N164-S166 PolarHBondContact OD1-N 3.17Å; N164-S166 PolarHBondContact OD1-OG 3.34Å; N164-Y167 HydrophobicContact CB-CD1 4.19Å; N164-Y167 HydrophobicContact CB-CE1 3.54Å; N164-Y167 HydrophobicContact CB-CE2 4.32Å; N164-Y167 PolarHBondContact O-N 2.86Å; N164-V168 VanDerWaalsContact O-CB 3.31Å; N164-V168 WeakPolarHBondContact O-CB 3.37Å; N164-V168 WeakPolarHBondContact O-CG2 3.35Å; N164-V168 PolarHBondContact O-N 2.75Å
165P92.9Very high88.8Confident19 Ų1924.4 Ų24.412%0.12315%0.145CC..THydrogen-bonded Turntrans-67.8-9-174.626.3-34.3000114.4S163 Y167 N187 M188 H191S163-P165 WeakPolarHBondContact O-CD 3.22Å; P165-Y167 VanDerWaalsContact C-N 3.33Å; P165-N187 PolarHBondContact O-ND2 2.91Å; P165-M188 HydrophobicContact CB-CB 4.49Å; P165-M188 HydrophobicContact CB-SD 3.81Å; P165-M188 HydrophobicContact CG-CE 4.41Å; P165-M188 HydrophobicContact CG-SD 3.18Å; P165-M188 WeakPolarHBondContact CG-SD 3.49Å; P165-H191 HydrophobicContact CB-CB 3.97Å
166S92Very high88.7Confident56 Ų5625.8 Ų25.839%0.39216%0.156SC..THydrogen-bonded Turntrans-71.4-26175.366.40000113.6N164 M179 R184N164-S166 VanDerWaalsContact CG-OG 3.32Å; N164-S166 PolarHBondContact O-N 3.48Å; N164-S166 VanDerWaalsContact OD1-CB 3.28Å; N164-S166 WeakPolarHBondContact OD1-CB 3.28Å; N164-S166 PolarHBondContact OD1-N 3.17Å; N164-S166 PolarHBondContact OD1-OG 3.34Å; S166-M179 WeakPolarHBondContact O-CE 3.32Å; S166-R184 VanDerWaalsContact O-CD 3.24Å; S166-R184 WeakPolarHBondContact O-CD 3.47Å
167Y91.6Very high88.7Confident93 Ų9327.3 Ų27.337%0.36517%0.167SC..THydrogen-bonded Turntrans-138.7-17.2-179.160.9-102.4000114.6N164 P165 P169 P239N164-Y167 HydrophobicContact CB-CD1 4.19Å; N164-Y167 HydrophobicContact CB-CE1 3.54Å; N164-Y167 HydrophobicContact CB-CE2 4.32Å; N164-Y167 PolarHBondContact O-N 2.86Å; P165-Y167 VanDerWaalsContact C-N 3.33Å; Y167-P169 WeakPolarHBondContact O-CD 3.34Å; Y167-P239 WeakPolarHBondContact CD2-O 3.27Å
168V93.7Very high89Confident1 Ų134.3 Ų34.31%0.00619%0.188CC..SBendtrans-90.6114.5172.2-173.30000108.8N164 A170 N187 P239 R240N164-V168 VanDerWaalsContact O-CB 3.31Å; N164-V168 WeakPolarHBondContact O-CB 3.37Å; N164-V168 WeakPolarHBondContact O-CG2 3.35Å; N164-V168 PolarHBondContact O-N 2.75Å; V168-A170 PolarHBondContact O-N 3.35Å; V168-N187 PolarHBondContact O-ND2 2.88Å; V168-P239 WeakPolarHBondContact CG2-O 3.28Å; V168-R240 HydrophobicContact CG2-CB 3.86Å
169P93.3Very high89.4Confident0 Ų034.8 Ų34.80%019%0.19CC..  trans-65.7131.2175.4-18.233000110.1Y167 Y382Y167-P169 WeakPolarHBondContact O-CD 3.34Å; P169-Y382 HydrophobicContact CB-CE2 4.16Å; P169-Y382 WeakPolarHBondContact O-CE2 3.48Å
170A92.6Very high89.9Confident1 Ų138.6 Ų38.61%0.00821%0.213CC..  trans-65.9142.9171.500000110E153 V168 L172 S173 N187 I190 H191E153-A170 WeakPolarHBondContact OE1-CA 3.47Å; E153-A170 VanDerWaalsContact OE1-CB 3.27Å; E153-A170 WeakPolarHBondContact OE1-CB 3.31Å; V168-A170 PolarHBondContact O-N 3.35Å; A170-L172 PolarHBondContact O-N 3.4Å; A170-S173 VanDerWaalsContact O-CB 3.28Å; A170-S173 WeakPolarHBondContact O-CB 3.31Å; A170-S173 PolarHBondContact O-N 2.92Å; A170-N187 WeakPolarHBondContact CB-OD1 3.49Å; A170-N187 PolarHBondContact N-OD1 2.99Å; A170-I190 HydrophobicContact CB-CG2 4.07Å; A170-H191 HydrophobicContact CB-CB 4.22Å
171V92.2Very high90.7Very high3 Ų343.2 Ų43.22%0.01822%0.221CC..THydrogen-bonded Turntrans-63.4-29.5-174.9169.50000113P150 I152 E153 S173 D379 Y382P150-V171 HydrophobicContact CG-CG1 4.08Å; P150-V171 HydrophobicContact CG-CG2 4.17Å; I152-V171 HydrophobicContact CB-CG2 4.26Å; I152-V171 HydrophobicContact CG1-CB 4.45Å; I152-V171 HydrophobicContact CG1-CG1 4.36Å; I152-V171 HydrophobicContact CG1-CG2 4.1Å; I152-V171 HydrophobicContact CG2-CB 4.31Å; I152-V171 HydrophobicContact CG2-CG2 4.29Å; E153-V171 PolarHBondContact OE1-N 3.34Å; E153-V171 PolarHBondContact OE2-N 3.43Å; E153-V171 VanDerWaalsContact OE2-N 3.12Å; V171-S173 VanDerWaalsContact C-N 3.33Å; V171-D379 HydrophobicContact CG1-CB 3.6Å; V171-Y382 HydrophobicContact CB-CD2 4.38Å; V171-Y382 HydrophobicContact CG2-CD2 4.02Å; V171-Y382 HydrophobicContact CG2-CE2 4.18Å; V171-Y382 HydrophobicContact CG2-CG 4.28Å; V171-Y382 WeakPolarHBondContact O-CB 3.45Å
172L89.7Confident91Very high32 Ų3247.3 Ų47.317%0.16825%0.246CC..THydrogen-bonded Turntrans-903176.9-59.9-179.6000113.6P76 L77 A170 I190P76-L172 HydrophobicContact CG-CD1 3.9Å; P76-L172 HydrophobicContact CG-CD2 4.46Å; L77-L172 HydrophobicContact CD1-CB 4.14Å; L77-L172 HydrophobicContact CD1-CD1 4.21Å; A170-L172 PolarHBondContact O-N 3.4Å; L172-I190 HydrophobicContact CB-CG2 3.93Å
173S87.6Confident91.4Very high1 Ų148.4 Ų48.41%0.00725%0.247CC..  trans-95.3140.3-178.3-178.70000111.2A170 V171 T175 N187A170-S173 VanDerWaalsContact O-CB 3.28Å; A170-S173 WeakPolarHBondContact O-CB 3.31Å; A170-S173 PolarHBondContact O-N 2.92Å; V171-S173 VanDerWaalsContact C-N 3.33Å; S173-T175 PolarHBondContact O-N 2.84Å; S173-T175 WeakPolarHBondContact OG-CB 3.49Å; S173-T175 VanDerWaalsContact OG-CG2 3.22Å; S173-T175 WeakPolarHBondContact OG-CG2 3.44Å; S173-T175 PolarHBondContact OG-N 3.46Å; S173-T175 PolarHBondContact OG-OG1 3.38Å; S173-N187 WeakPolarHBondContact CB-OD1 3.47Å; S173-N187 PolarHBondContact OG-OD1 3.05Å
174P83.2Confident91.6Very high48 Ų4852.8 Ų52.831%0.31226%0.263SS..  trans-76.98174.434.7-37.1000112.9M381P174-M381 HydrophobicContact CB-CE 4Å
175T89.4Confident91.8Very high5 Ų554.6 Ų54.63%0.03127%0.272CS..  trans-82.5158.6-171.159.20000113.2S173 M179 Q183 N187 R386S173-T175 PolarHBondContact O-N 2.84Å; S173-T175 WeakPolarHBondContact OG-CB 3.49Å; S173-T175 VanDerWaalsContact OG-CG2 3.22Å; S173-T175 WeakPolarHBondContact OG-CG2 3.44Å; S173-T175 PolarHBondContact OG-N 3.46Å; S173-T175 PolarHBondContact OG-OG1 3.38Å; T175-M179 HydrophobicContact CG2-SD 4.39Å; T175-Q183 HydrophobicContact CG2-CB 3.97Å; T175-Q183 HydrophobicContact CG2-CG 4.33Å; T175-N187 HydrophobicContact CG2-CB 4.35Å; T175-N187 PolarHBondContact OG1-OD1 3.13Å; T175-R386 PolarHBondContact O-NH2 3.11Å
176S89.1Confident91.7Very high36 Ų3658.1 Ų58.125%0.25229%0.287SS..  trans-95.3166179.3109.30000111.8R178 M179 E389S176-R178 PolarHBondContact O-N 3.08Å; S176-R178 PolarHBondContact OG-N 2.75Å; S176-R178 PolarHBondContact OG-O 3.38Å; S176-M179 WeakPolarHBondContact O-CG 3.43Å; S176-E389 VanDerWaalsContact C-OE1 3.32Å; S176-E389 WeakPolarHBondContact CA-OE1 3.23Å; S176-E389 WeakPolarHBondContact CB-OE1 3.43Å
177S88.4Confident91.8Very high32 Ų3255.4 Ų55.422%0.22427%0.268CS..SBendtrans-60.7-20.8170.1590000113.3E389S177-E389 WeakPolarHBondContact CB-OE2 3.45Å; S177-E389 PolarHBondContact N-OE1 3.42Å; S177-E389 PolarHBondContact OG-OE2 2.98Å
178R90.9Very high91.9Very high218 Ų21855.4 Ų55.482%0.82327%0.272SS*.SBendtrans-107109.4170-63.2-175.9179.6-164.2-2.1109.2S176S176-R178 PolarHBondContact O-N 3.08Å; S176-R178 PolarHBondContact OG-N 2.75Å; S176-R178 PolarHBondContact OG-O 3.38Å
179M92.8Very high91.9Very high23 Ų2360.8 Ų60.811%0.11330%0.301CS..  trans-115.1135.6-174.2-65.3-178.1-9100112.1S166 T175 S176 Q183 R184 N187S166-M179 WeakPolarHBondContact O-CE 3.32Å; T175-M179 HydrophobicContact CG2-SD 4.39Å; S176-M179 WeakPolarHBondContact O-CG 3.43Å; M179-Q183 HydrophobicContact CB-CB 3.79Å; M179-Q183 HydrophobicContact CG-CB 4.09Å; M179-R184 HydrophobicContact CB-CG 3.5Å; M179-R184 HydrophobicContact CE-CG 4.46Å; M179-R184 HydrophobicContact CG-CG 4.46Å; M179-R184 PolarHBondContact O-NH1 3.28Å; M179-R184 HydrophobicContact SD-CG 4.26Å; M179-N187 HydrophobicContact SD-CB 3.6Å
180T95.1Very high91.8Very high81 Ų8162.2 Ų62.250%0.49731%0.308SS..  trans-65.8169160.569.40000110.5V182 Q183 R184T180-V182 VanDerWaalsContact C-N 3.34Å; T180-V182 PolarHBondContact O-N 3.02Å; T180-Q183 PolarHBondContact O-N 2.9Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.32Å; T180-Q183 PolarHBondContact OG1-N 3.29Å; T180-Q183 PolarHBondContact OG1-OE1 2.75Å; T180-R184 WeakPolarHBondContact O-CG 2.98Å; T180-R184 PolarHBondContact O-N 3.23Å
181F95.9Very high91.8Very high139 Ų13962.9 Ų62.961%0.6131%0.311SS*.Hα-helixtrans-55.8-46.5176.4176.7-99.1000112.8Q183 R184 L185F181-Q183 VanDerWaalsContact C-N 3.32Å; F181-Q183 PolarHBondContact O-N 3.16Å; F181-R184 WeakPolarHBondContact O-CB 3.47Å; F181-R184 PolarHBondContact O-N 2.93Å; F181-R184 VanDerWaalsContact O-N 3.15Å; F181-L185 PolarHBondContact O-N 3.04Å
182V94.1Very high91.8Very high86 Ų8664.8 Ų64.852%0.52132%0.323SS..Hα-helixtrans-62.9-40.1178.4177.50000111.2T180 L185 Q186T180-V182 VanDerWaalsContact C-N 3.34Å; T180-V182 PolarHBondContact O-N 3.02Å; V182-L185 PolarHBondContact O-N 3.37Å; V182-Q186 WeakPolarHBondContact O-CG 3.27Å; V182-Q186 PolarHBondContact O-N 2.77Å
183Q93.7Very high91.9Very high66 Ų6666 Ų6631%0.30833%0.332SS..Hα-helixtrans-65.4-38.9175-72.8172.9-29.300111.8T175 M179 T180 F181 L185 Q186 N187T175-Q183 HydrophobicContact CG2-CB 3.97Å; T175-Q183 HydrophobicContact CG2-CG 4.33Å; M179-Q183 HydrophobicContact CB-CB 3.79Å; M179-Q183 HydrophobicContact CG-CB 4.09Å; T180-Q183 PolarHBondContact O-N 2.9Å; T180-Q183 WeakPolarHBondContact OG1-CG 3.32Å; T180-Q183 PolarHBondContact OG1-N 3.29Å; T180-Q183 PolarHBondContact OG1-OE1 2.75Å; F181-Q183 VanDerWaalsContact C-N 3.32Å; F181-Q183 PolarHBondContact O-N 3.16Å; Q183-L185 VanDerWaalsContact C-N 3.35Å; Q183-Q186 PolarHBondContact O-N 3.01Å; Q183-N187 VanDerWaalsContact O-CB 3.24Å; Q183-N187 WeakPolarHBondContact O-CB 3.2Å; Q183-N187 PolarHBondContact O-N 2.73Å
184R95.2Very high92.1Very high98 Ų9866.5 Ų66.537%0.3733%0.334SS..Hα-helixtrans-63.2-40.9173.5-70-168.8-56.4-101.410.6111.7S166 M179 T180 F181 N187 M188S166-R184 VanDerWaalsContact O-CD 3.24Å; S166-R184 WeakPolarHBondContact O-CD 3.47Å; M179-R184 HydrophobicContact CB-CG 3.5Å; M179-R184 HydrophobicContact CE-CG 4.46Å; M179-R184 HydrophobicContact CG-CG 4.46Å; M179-R184 PolarHBondContact O-NH1 3.28Å; M179-R184 HydrophobicContact SD-CG 4.26Å; T180-R184 WeakPolarHBondContact O-CG 2.98Å; T180-R184 PolarHBondContact O-N 3.23Å; F181-R184 WeakPolarHBondContact O-CB 3.47Å; F181-R184 PolarHBondContact O-N 2.93Å; F181-R184 VanDerWaalsContact O-N 3.15Å; R184-N187 PolarHBondContact O-N 2.8Å; R184-M188 WeakPolarHBondContact O-CB 3.46Å; R184-M188 PolarHBondContact O-N 3.47Å
185L94.2Very high92.5Very high108 Ų10867.4 Ų67.457%0.56534%0.336SS*.Hα-helixtrans-62.9-46.8176.4-17962.7000111.4F181 V182 Q183 N187 M188 L189F181-L185 PolarHBondContact O-N 3.04Å; V182-L185 PolarHBondContact O-N 3.37Å; Q183-L185 VanDerWaalsContact C-N 3.35Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 2.79Å; L185-M188 PolarHBondContact O-N 2.5Å; L185-L189 PolarHBondContact O-N 2.95Å
186Q91.8Very high92.7Very high93 Ų9374 Ų7444%0.43536%0.364SS..Hα-helixtrans-60.7-43.2174.6-72.7176-18.900111.7V182 Q183 L189 I190V182-Q186 WeakPolarHBondContact O-CG 3.27Å; V182-Q186 PolarHBondContact O-N 2.77Å; Q183-Q186 PolarHBondContact O-N 3.01Å; Q186-L189 PolarHBondContact O-N 3.25Å; Q186-I190 WeakPolarHBondContact O-CG1 3.13Å; Q186-I190 PolarHBondContact O-N 3.25Å
187N93.3Very high92.8Very high0 Ų074.8 Ų74.80%037%0.365CS..Hα-helixtrans-63.8-44.8178.4-16759.2000112.1P165 V168 A170 S173 T175 M179 Q183 R184 L185 L189 I190 H191P165-N187 PolarHBondContact O-ND2 2.91Å; V168-N187 PolarHBondContact O-ND2 2.88Å; A170-N187 WeakPolarHBondContact CB-OD1 3.49Å; A170-N187 PolarHBondContact N-OD1 2.99Å; S173-N187 WeakPolarHBondContact CB-OD1 3.47Å; S173-N187 PolarHBondContact OG-OD1 3.05Å; T175-N187 HydrophobicContact CG2-CB 4.35Å; T175-N187 PolarHBondContact OG1-OD1 3.13Å; M179-N187 HydrophobicContact SD-CB 3.6Å; Q183-N187 VanDerWaalsContact O-CB 3.24Å; Q183-N187 WeakPolarHBondContact O-CB 3.2Å; Q183-N187 PolarHBondContact O-N 2.73Å; R184-N187 PolarHBondContact O-N 2.8Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 2.79Å; N187-L189 VanDerWaalsContact C-N 3.34Å; N187-L189 PolarHBondContact O-N 3.31Å; N187-I190 PolarHBondContact O-N 2.64Å; N187-H191 VanDerWaalsContact O-CB 3.24Å; N187-H191 WeakPolarHBondContact O-CB 3.22Å; N187-H191 PolarHBondContact O-N 3.09Å
188M94.4Very high93Very high92 Ų9273.5 Ų73.545%0.45336%0.355SS..Hα-helixtrans-58.1-44.9174.8-179.166.5-17300111.8P165 R184 L185 T192P165-M188 HydrophobicContact CB-CB 4.49Å; P165-M188 HydrophobicContact CB-SD 3.81Å; P165-M188 HydrophobicContact CG-CE 4.41Å; P165-M188 HydrophobicContact CG-SD 3.18Å; P165-M188 WeakPolarHBondContact CG-SD 3.49Å; R184-M188 WeakPolarHBondContact O-CB 3.46Å; R184-M188 PolarHBondContact O-N 3.47Å; L185-M188 PolarHBondContact O-N 2.5Å; M188-T192 WeakPolarHBondContact O-CB 3.21Å; M188-T192 PolarHBondContact O-N 2.54Å; M188-T192 PolarHBondContact O-OG1 2.9Å
189L92.6Very high93.1Very high115 Ų11565.4 Ų65.460%0.60234%0.335SS*.Hα-helixtrans-61.2-49.7177.4179.262.6000111.2L185 Q186 N187 T192 V193L185-L189 PolarHBondContact O-N 2.95Å; Q186-L189 PolarHBondContact O-N 3.25Å; N187-L189 VanDerWaalsContact C-N 3.34Å; N187-L189 PolarHBondContact O-N 3.31Å; L189-T192 PolarHBondContact O-N 3.1Å; L189-V193 HydrophobicContact CD1-CG2 4.39Å; L189-V193 WeakPolarHBondContact O-CG2 3.34Å; L189-V193 PolarHBondContact O-N 3.17Å
190I91.4Very high93.1Very high30 Ų3066.3 Ų66.315%0.15434%0.343CS..Hα-helixtrans-64.6-42.2-179.4-67.8171.2000111.5L77 A170 L172 Q186 N187 T192 V193 T194L77-I190 HydrophobicContact CD1-CG2 4.12Å; A170-I190 HydrophobicContact CB-CG2 4.07Å; L172-I190 HydrophobicContact CB-CG2 3.93Å; Q186-I190 WeakPolarHBondContact O-CG1 3.13Å; Q186-I190 PolarHBondContact O-N 3.25Å; N187-I190 PolarHBondContact O-N 2.64Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.1Å; I190-V193 PolarHBondContact O-N 2.99Å; I190-T194 WeakPolarHBondContact O-CB 3.32Å; I190-T194 PolarHBondContact O-N 3.26Å; I190-T194 PolarHBondContact O-OG1 3.35Å
191H92.8Very high93Very high14 Ų1462.9 Ų62.97%0.06532%0.322CS..Hα-helixtrans-57.4-48.3174.8-177.396000111.1E153 S163 P165 A170 N187 T194 I195E153-H191 WeakPolarHBondContact CG-ND1 3.41Å; S163-H191 PolarHBondContact O-CE1 3Å; P165-H191 HydrophobicContact CB-CB 3.97Å; A170-H191 HydrophobicContact CB-CB 4.22Å; N187-H191 VanDerWaalsContact O-CB 3.24Å; N187-H191 WeakPolarHBondContact O-CB 3.22Å; N187-H191 PolarHBondContact O-N 3.09Å; H191-T194 WeakPolarHBondContact O-CB 3.3Å; H191-T194 PolarHBondContact O-N 3.25Å; H191-I195 WeakPolarHBondContact O-CG1 3.38Å; H191-I195 PolarHBondContact O-N 3.37Å
192T93.2Very high92.9Very high44 Ų4456.7 Ų56.727%0.2730%0.295SS..Hα-helixtrans-62.5-47.1179.2-57.10000111.5M188 L189 I190 T194 I195 F196M188-T192 WeakPolarHBondContact O-CB 3.21Å; M188-T192 PolarHBondContact O-N 2.54Å; M188-T192 PolarHBondContact O-OG1 2.9Å; L189-T192 PolarHBondContact O-N 3.1Å; I190-T192 VanDerWaalsContact C-N 3.34Å; I190-T192 PolarHBondContact O-N 3.1Å; T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 3.19Å; T192-I195 WeakPolarHBondContact O-CB 3.28Å; T192-I195 PolarHBondContact O-N 3.14Å; T192-I195 VanDerWaalsContact O-N 3.17Å; T192-F196 HydrophobicContact CG2-CD2 4.08Å; T192-F196 HydrophobicContact CG2-CE2 3.72Å; T192-F196 VanDerWaalsContact O-CD2 3.23Å; T192-F196 WeakPolarHBondContact O-CD2 3.29Å; T192-F196 PolarHBondContact O-N 3.22Å
193V91.2Very high92.9Very high58 Ų5859.5 Ų59.535%0.35230%0.297SS..Hα-helixtrans-57.7-41.1174.8168.60000111L189 I190 I195 F196 I197L189-V193 HydrophobicContact CD1-CG2 4.39Å; L189-V193 WeakPolarHBondContact O-CG2 3.34Å; L189-V193 PolarHBondContact O-N 3.17Å; I190-V193 PolarHBondContact O-N 2.99Å; V193-I195 VanDerWaalsContact C-N 3.35Å; V193-I195 PolarHBondContact O-N 3.05Å; V193-F196 PolarHBondContact O-N 3.2Å; V193-I197 HydrophobicContact CG1-CD1 3.82Å; V193-I197 HydrophobicContact CG1-CG1 4.35Å; V193-I197 WeakPolarHBondContact O-CG1 3.27Å; V193-I197 PolarHBondContact O-N 3.24Å
194T91.4Very high92.8Very high10 Ų1060.8 Ų60.86%0.06130%0.299CS..Hα-helixtrans-65.7-36.2179.3-54.40000112V154 I190 H191 T192 I197 R198V154-T194 HydrophobicContact CG1-CG2 3.78Å; V154-T194 HydrophobicContact CG2-CG2 3.97Å; I190-T194 WeakPolarHBondContact O-CB 3.32Å; I190-T194 PolarHBondContact O-N 3.26Å; I190-T194 PolarHBondContact O-OG1 3.35Å; H191-T194 WeakPolarHBondContact O-CB 3.3Å; H191-T194 PolarHBondContact O-N 3.25Å; T192-T194 VanDerWaalsContact C-N 3.26Å; T192-T194 PolarHBondContact O-N 3.19Å; T194-I197 PolarHBondContact O-N 3.5Å; T194-R198 WeakPolarHBondContact O-CB 3.36Å; T194-R198 PolarHBondContact O-N 3.39Å
195I92.7Very high92.8Very high68 Ų6856.7 Ų56.735%0.34929%0.285SS..Hα-helixtrans-58.3-49.7171.7-68.8167.7000110.5V154 H191 T192 V193 R198 A199V154-I195 HydrophobicContact CG1-CB 4.39Å; V154-I195 HydrophobicContact CG1-CG1 3.81Å; H191-I195 WeakPolarHBondContact O-CG1 3.38Å; H191-I195 PolarHBondContact O-N 3.37Å; T192-I195 WeakPolarHBondContact O-CB 3.28Å; T192-I195 PolarHBondContact O-N 3.14Å; T192-I195 VanDerWaalsContact O-N 3.17Å; V193-I195 VanDerWaalsContact C-N 3.35Å; V193-I195 PolarHBondContact O-N 3.05Å; I195-R198 PolarHBondContact O-N 3.36Å; I195-A199 WeakPolarHBondContact O-CB 3.49Å; I195-A199 PolarHBondContact O-N 3.12Å
196F93.1Very high92.8Very high143 Ų14352.6 Ų52.663%0.62726%0.263SS*.Hα-helixtrans-64.6-40.7179.5-75.6-70.2000112.5T192 V193 A199 S200T192-F196 HydrophobicContact CG2-CD2 4.08Å; T192-F196 HydrophobicContact CG2-CE2 3.72Å; T192-F196 VanDerWaalsContact O-CD2 3.23Å; T192-F196 WeakPolarHBondContact O-CD2 3.29Å; T192-F196 PolarHBondContact O-N 3.22Å; V193-F196 PolarHBondContact O-N 3.2Å; F196-A199 PolarHBondContact O-N 2.86Å; F196-S200 VanDerWaalsContact O-CB 3.31Å; F196-S200 WeakPolarHBondContact O-CB 3.5Å; F196-S200 PolarHBondContact O-N 2.85Å
197I91.4Very high92.9Very high53 Ų5354.4 Ų54.427%0.27227%0.27SS..Hα-helixtrans-56.1-54.9172.9-69.7168.4000109.1F90 V193 T194 A199 S200 L201F90-I197 HydrophobicContact CE1-CG2 4.36Å; V193-I197 HydrophobicContact CG1-CD1 3.82Å; V193-I197 HydrophobicContact CG1-CG1 4.35Å; V193-I197 WeakPolarHBondContact O-CG1 3.27Å; V193-I197 PolarHBondContact O-N 3.24Å; T194-I197 PolarHBondContact O-N 3.5Å; I197-A199 PolarHBondContact O-N 3.26Å; I197-S200 WeakPolarHBondContact O-CA 3.32Å; I197-S200 VanDerWaalsContact O-CB 3.32Å; I197-S200 WeakPolarHBondContact O-CB 3.38Å; I197-S200 PolarHBondContact O-N 3.33Å; I197-S200 VanDerWaalsContact O-N 3.07Å; I197-L201 HydrophobicContact CG2-CD1 4.27Å; I197-L201 HydrophobicContact CG2-CG 4.3Å; I197-L201 WeakPolarHBondContact O-CG 3.26Å; I197-L201 PolarHBondContact O-N 2.97Å
198R92Very high93Very high5 Ų555.4 Ų55.42%0.01928%0.275CS..Hα-helixtrans-59.2-44.2-178.6-175.869.5-173.9114.9-3112.5E130 V154 T194 I195 S200 L201 I202 E222E130-R198 VanDerWaalsContact CD-NH1 3.27Å; E130-R198 IonicContact OE1-CZ 3.73Å; E130-R198 IonicContact OE1-NH1 3.13Å; E130-R198 PolarHBondContact OE1-NH1 2.96Å; E130-R198 IonicContact OE1-NH2 2.87Å; E130-R198 PolarHBondContact OE1-NH2 3.1Å; V154-R198 HydrophobicContact CB-CB 3.94Å; V154-R198 HydrophobicContact CB-CG 4.01Å; V154-R198 HydrophobicContact CG1-CB 4.34Å; V154-R198 HydrophobicContact CG2-CB 3.87Å; V154-R198 HydrophobicContact CG2-CG 3.95Å; T194-R198 WeakPolarHBondContact O-CB 3.36Å; T194-R198 PolarHBondContact O-N 3.39Å; I195-R198 PolarHBondContact O-N 3.36Å; R198-S200 VanDerWaalsContact C-N 3.27Å; R198-S200 PolarHBondContact O-N 3.46Å; R198-L201 PolarHBondContact O-N 2.79Å; R198-I202 VanDerWaalsContact CZ-CD1 3.48Å; R198-I202 PolarHBondContact O-N 3.42Å; R198-E222 IonicContact CZ-OE1 3.49Å; R198-E222 IonicContact NH2-OE1 2.88Å; R198-E222 PolarHBondContact NH2-OE1 2.61Å
199A93.1Very high93Very high47 Ų4751.3 Ų51.339%0.38826%0.255SS..Hα-helixtrans-59-41.7176.200000111.5I195 F196 I197 I202 W203I195-A199 WeakPolarHBondContact O-CB 3.49Å; I195-A199 PolarHBondContact O-N 3.12Å; F196-A199 PolarHBondContact O-N 2.86Å; I197-A199 PolarHBondContact O-N 3.26Å; A199-I202 PolarHBondContact O-N 3.02Å; A199-W203 WeakPolarHBondContact O-CB 3.18Å; A199-W203 PolarHBondContact O-N 2.95Å
200S92.9Very high93.1Very high42 Ų4253.4 Ų53.429%0.29426%0.255SS..Hα-helixtrans-65.5-38.3176.6-157.50000112.7F196 I197 R198 R204F196-S200 VanDerWaalsContact O-CB 3.31Å; F196-S200 WeakPolarHBondContact O-CB 3.5Å; F196-S200 PolarHBondContact O-N 2.85Å; I197-S200 WeakPolarHBondContact O-CA 3.32Å; I197-S200 VanDerWaalsContact O-CB 3.32Å; I197-S200 WeakPolarHBondContact O-CB 3.38Å; I197-S200 PolarHBondContact O-N 3.33Å; I197-S200 VanDerWaalsContact O-N 3.07Å; R198-S200 VanDerWaalsContact C-N 3.27Å; R198-S200 PolarHBondContact O-N 3.46Å; S200-R204 WeakPolarHBondContact O-CG 3.28Å; S200-R204 PolarHBondContact O-N 3.16Å; S200-R204 VanDerWaalsContact O-N 3.11Å; S200-R204 PolarHBondContact O-NH1 3.48Å; S200-R204 PolarHBondContact OG-NH1 2.83Å
201L92.8Very high93.2Very high10 Ų1055.6 Ų55.65%0.05227%0.273CS..Hα-helixtrans-65-48.9175.1-61.2-173.2000111.4Y94 L128 I197 R198 W203 R204 S205Y94-L201 HydrophobicContact CD1-CD2 3.55Å; Y94-L201 HydrophobicContact CD2-CD1 4.26Å; Y94-L201 HydrophobicContact CD2-CD2 3.77Å; Y94-L201 HydrophobicContact CE1-CB 4.31Å; Y94-L201 HydrophobicContact CE1-CD2 3.49Å; Y94-L201 VanDerWaalsContact CE1-CD2 3.49Å; Y94-L201 HydrophobicContact CE1-CG 4.41Å; Y94-L201 HydrophobicContact CE2-CB 4.13Å; Y94-L201 HydrophobicContact CE2-CD1 3.96Å; Y94-L201 HydrophobicContact CE2-CD2 3.7Å; Y94-L201 HydrophobicContact CE2-CG 4.1Å; Y94-L201 HydrophobicContact CG-CD2 3.67Å; Y94-L201 WeakPolarHBondContact OH-CB 3.46Å; Y94-L201 PolarHBondContact OH-O 3.47Å; L128-L201 HydrophobicContact CD2-CD1 3.93Å; I197-L201 HydrophobicContact CG2-CD1 4.27Å; I197-L201 HydrophobicContact CG2-CG 4.3Å; I197-L201 WeakPolarHBondContact O-CG 3.26Å; I197-L201 PolarHBondContact O-N 2.97Å; R198-L201 PolarHBondContact O-N 2.79Å; L201-W203 PolarHBondContact O-N 3.4Å; L201-R204 PolarHBondContact O-N 3.04Å; L201-S205 PolarHBondContact O-N 3.34Å; L201-S205 PolarHBondContact O-OG 2.77Å
202I93.3Very high93.2Very high9 Ų956.9 Ų56.95%0.04628%0.28CS..Hα-helixtrans-55.1-51.7174.9-73.7-65.5000111E130 R198 A199 R204 S205 E206 L218 R219E130-I202 HydrophobicContact CG-CD1 4.45Å; R198-I202 VanDerWaalsContact CZ-CD1 3.48Å; R198-I202 PolarHBondContact O-N 3.42Å; A199-I202 PolarHBondContact O-N 3.02Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.37Å; I202-S205 PolarHBondContact O-N 3.02Å; I202-S205 VanDerWaalsContact O-N 3.14Å; I202-E206 HydrophobicContact CG2-CG 4.3Å; I202-E206 WeakPolarHBondContact O-CG 3.24Å; I202-E206 PolarHBondContact O-N 2.74Å; I202-L218 HydrophobicContact CD1-CB 3.86Å; I202-L218 HydrophobicContact CD1-CD1 4.22Å; I202-L218 HydrophobicContact CG2-CB 4.29Å; I202-R219 HydrophobicContact CG2-CG 4.31Å
203W93.8Very high93.2Very high145 Ų14558 Ų5855%0.54930%0.301SS..Hα-helixtrans-59.3-42.7-177.7172.976.6000112.5A199 L201 K207A199-W203 WeakPolarHBondContact O-CB 3.18Å; A199-W203 PolarHBondContact O-N 2.95Å; L201-W203 PolarHBondContact O-N 3.4Å; W203-K207 WeakPolarHBondContact O-CB 3.27Å; W203-K207 PolarHBondContact O-N 2.9Å
204R93.1Very high93.2Very high93 Ų9358.5 Ų58.535%0.35130%0.297SS..Hα-helixtrans-63-44.1175.4-74.9-171-176850.7111.8S200 L201 I202 K207 V208S200-R204 WeakPolarHBondContact O-CG 3.28Å; S200-R204 PolarHBondContact O-N 3.16Å; S200-R204 VanDerWaalsContact O-N 3.11Å; S200-R204 PolarHBondContact O-NH1 3.48Å; S200-R204 PolarHBondContact OG-NH1 2.83Å; L201-R204 PolarHBondContact O-N 3.04Å; I202-R204 VanDerWaalsContact C-N 3.33Å; I202-R204 PolarHBondContact O-N 3.37Å; R204-K207 WeakPolarHBondContact O-CB 3.36Å; R204-K207 PolarHBondContact O-N 2.95Å; R204-V208 WeakPolarHBondContact O-CG2 3.43Å; R204-V208 PolarHBondContact O-N 3.48Å
205S94.3Very high92.9Very high12 Ų1261.8 Ų61.88%0.08433%0.333CS..Hα-helixtrans-66.2-40.7179.8-63.10000112.3Y94 E130 L201 I202 K207 V208 L209Y94-S205 PolarHBondContact OH-OG 2.85Å; E130-S205 WeakPolarHBondContact CB-OG 3.34Å; L201-S205 PolarHBondContact O-N 3.34Å; L201-S205 PolarHBondContact O-OG 2.77Å; I202-S205 PolarHBondContact O-N 3.02Å; I202-S205 VanDerWaalsContact O-N 3.14Å; S205-K207 VanDerWaalsContact C-N 3.33Å; S205-K207 PolarHBondContact O-N 2.94Å; S205-V208 PolarHBondContact O-N 3.5Å; S205-L209 WeakPolarHBondContact O-CG 3.34Å; S205-L209 PolarHBondContact O-N 3.13Å
206E94.9Very high92.5Very high21 Ų2159.2 Ų59.210%0.09832%0.322CS..Hα-helixtrans-61.8-41.1172.3-74.6-178.5174.900111.8I202 V208 L209 R210 L218I202-E206 HydrophobicContact CG2-CG 4.3Å; I202-E206 WeakPolarHBondContact O-CG 3.24Å; I202-E206 PolarHBondContact O-N 2.74Å; E206-V208 VanDerWaalsContact C-N 3.32Å; E206-V208 PolarHBondContact O-N 3.24Å; E206-L209 PolarHBondContact O-N 2.81Å; E206-R210 WeakPolarHBondContact O-CB 3.36Å; E206-R210 VanDerWaalsContact O-CG 3.29Å; E206-R210 WeakPolarHBondContact O-CG 3.17Å; E206-R210 PolarHBondContact O-N 3.45Å; E206-R210 IonicContact OE2-NH2 3.63Å; E206-L218 HydrophobicContact CG-CB 4.08Å; E206-L218 HydrophobicContact CG-CD1 3.84Å; E206-L218 HydrophobicContact CG-CG 3.66Å; E206-L218 PolarHBondContact OE1-N 3.06Å
207K94.4Very high92.4Very high132 Ų13256.9 Ų56.957%0.57431%0.313SS*.Hα-helixtrans-60.1-42.6175.5-173.5179.2-179.6179.90111.5W203 R204 S205 S211W203-K207 WeakPolarHBondContact O-CB 3.27Å; W203-K207 PolarHBondContact O-N 2.9Å; R204-K207 WeakPolarHBondContact O-CB 3.36Å; R204-K207 PolarHBondContact O-N 2.95Å; S205-K207 VanDerWaalsContact C-N 3.33Å; S205-K207 PolarHBondContact O-N 2.94Å; K207-S211 WeakPolarHBondContact O-CB 3.35Å; K207-S211 PolarHBondContact O-N 2.96Å
208V93.7Very high92.4Very high20 Ų2054.4 Ų54.412%0.12130%0.3CS..Hα-helixtrans-61.4-50.1174.9170.80000110.6Q102 R204 S205 E206 R210 S211 L212Q102-V208 HydrophobicContact CB-CG1 3.75Å; Q102-V208 HydrophobicContact CG-CG1 3.95Å; R204-V208 WeakPolarHBondContact O-CG2 3.43Å; R204-V208 PolarHBondContact O-N 3.48Å; S205-V208 PolarHBondContact O-N 3.5Å; E206-V208 VanDerWaalsContact C-N 3.32Å; E206-V208 PolarHBondContact O-N 3.24Å; V208-R210 PolarHBondContact O-N 2.89Å; V208-S211 PolarHBondContact O-N 3.18Å; V208-S211 PolarHBondContact O-OG 3.49Å; V208-L212 HydrophobicContact CG1-CD1 4.38Å; V208-L212 WeakPolarHBondContact O-CG 3.34Å; V208-L212 PolarHBondContact O-N 3.16Å
209L94.3Very high92.2Very high6 Ų656.9 Ų56.93%0.03131%0.31CS..Hα-helixtrans-58.8-46.9179.5-71.4166.7000112L105 I138 S205 E206 S211 L212 G213 Y214 L218L105-L209 HydrophobicContact CD1-CD2 3.64Å; I138-L209 HydrophobicContact CD1-CD2 4.38Å; S205-L209 WeakPolarHBondContact O-CG 3.34Å; S205-L209 PolarHBondContact O-N 3.13Å; E206-L209 PolarHBondContact O-N 2.81Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.11Å; L209-L212 CarbonylContact O-C 3.5Å; L209-L212 PolarHBondContact O-N 3.22Å; L209-G213 PolarHBondContact O-N 2.81Å; L209-Y214 CarbonylContact C-O 3.46Å; L209-Y214 PolarHBondContact O-N 3.46Å; L209-L218 HydrophobicContact CD1-CD1 4.18Å; L209-L218 HydrophobicContact CD1-CD2 3.63Å; L209-L218 HydrophobicContact CD1-CG 4.1Å
210R94.7Very high91.9Very high159 Ų15955.8 Ų55.860%0.630%0.3SS*.Hα-helixtrans-61-39.9177.5-71.6178-169.9-172.95.6112.5E206 V208 L212 G213 Y214E206-R210 WeakPolarHBondContact O-CB 3.36Å; E206-R210 VanDerWaalsContact O-CG 3.29Å; E206-R210 WeakPolarHBondContact O-CG 3.17Å; E206-R210 PolarHBondContact O-N 3.45Å; E206-R210 IonicContact OE2-NH2 3.63Å; V208-R210 PolarHBondContact O-N 2.89Å; R210-L212 PolarHBondContact O-N 3.24Å; R210-L212 VanDerWaalsContact O-N 3.14Å; R210-G213 PolarHBondContact O-N 3.33Å; R210-Y214 PolarHBondContact N-O 3.08Å
211S93.9Very high91.7Very high77 Ų7755.3 Ų55.354%0.53829%0.294SS..Hα-helixtrans-63.1-17.8176.976.80000113.8K207 V208 L209K207-S211 WeakPolarHBondContact O-CB 3.35Å; K207-S211 PolarHBondContact O-N 2.96Å; V208-S211 PolarHBondContact O-N 3.18Å; V208-S211 PolarHBondContact O-OG 3.49Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.11Å
212L93.5Very high91.6Very high40 Ų4054.8 Ų54.821%0.20929%0.291CS..THydrogen-bonded Turntrans-1027177.3-59.6177000112.6Q102 L105 K106 V208 L209 R210 Y214Q102-L212 HydrophobicContact CG-CD1 4.28Å; Q102-L212 HydrophobicContact CG-CD2 4.39Å; L105-L212 HydrophobicContact CB-CD1 3.43Å; L105-L212 VanDerWaalsContact CB-CD1 3.43Å; L105-L212 HydrophobicContact CD1-CD1 3.9Å; L105-L212 HydrophobicContact CG-CD1 4.33Å; K106-L212 HydrophobicContact CD-CD2 4.13Å; K106-L212 VanDerWaalsContact CE-CD2 3.45Å; K106-L212 HydrophobicContact CG-CD2 3.55Å; V208-L212 HydrophobicContact CG1-CD1 4.38Å; V208-L212 WeakPolarHBondContact O-CG 3.34Å; V208-L212 PolarHBondContact O-N 3.16Å; L209-L212 CarbonylContact O-C 3.5Å; L209-L212 PolarHBondContact O-N 3.22Å; R210-L212 PolarHBondContact O-N 3.24Å; R210-L212 VanDerWaalsContact O-N 3.14Å; L212-Y214 HydrophobicContact CB-CD2 3.77Å; L212-Y214 HydrophobicContact CB-CE2 4Å
213G93.3Very high91.3Very high68 Ų6857.1 Ų57.170%0.70130%0.299SS*.THydrogen-bonded Turntrans84.95.9-178.600000114.9L209 R210L209-G213 PolarHBondContact O-N 2.81Å; R210-G213 PolarHBondContact O-N 3.33Å
214Y90.5Very high91Very high68 Ų6854 Ų5427%0.26729%0.291SS..  trans-95.5104.5177.1-57.3-66.1000111I138 L209 R210 L212 A216I138-Y214 HydrophobicContact CD1-CD1 3.8Å; I138-Y214 HydrophobicContact CD1-CD2 3.65Å; I138-Y214 HydrophobicContact CD1-CE1 3.83Å; I138-Y214 HydrophobicContact CD1-CE2 3.71Å; I138-Y214 HydrophobicContact CD1-CG 3.7Å; I138-Y214 HydrophobicContact CG1-CD1 3.58Å; I138-Y214 HydrophobicContact CG1-CD2 4.29Å; I138-Y214 HydrophobicContact CG1-CE1 3.86Å; I138-Y214 HydrophobicContact CG1-CG 3.8Å; I138-Y214 HydrophobicContact CG2-CD1 4.31Å; I138-Y214 HydrophobicContact CG2-CE1 3.86Å; L209-Y214 CarbonylContact C-O 3.46Å; L209-Y214 PolarHBondContact O-N 3.46Å; R210-Y214 PolarHBondContact N-O 3.08Å; L212-Y214 HydrophobicContact CB-CD2 3.77Å; L212-Y214 HydrophobicContact CB-CE2 4Å; Y214-A216 PolarHBondContact O-N 2.83Å
215G85.8Confident90.9Very high80 Ų8049.5 Ų49.583%0.82527%0.274SS*.  trans-85.790.3173.500000111.9
216A84.9Confident90.8Very high14 Ų1449 Ų4912%0.11627%0.27CS..  trans-126133.4173.200000110.8A137 Y214 E221A137-A216 HydrophobicContact CB-CB 3.87Å; Y214-A216 PolarHBondContact O-N 2.83Å; A216-E221 HydrophobicContact CB-CG 4.41Å
217E90.3Very high90.7Very high94 Ų9448 Ų4844%0.43927%0.266SS..  trans-86.3105.3165.1-175.3-140.2140.400107.7R219 A220 E221 R223E217-R219 PolarHBondContact O-N 2.98Å; E217-R219 VanDerWaalsContact OE1-CB 3.27Å; E217-R219 WeakPolarHBondContact OE1-CB 3.27Å; E217-A220 HydrophobicContact CB-CB 4.17Å; E217-A220 HydrophobicContact CG-CB 4.33Å; E217-A220 PolarHBondContact O-N 3.03Å; E217-A220 VanDerWaalsContact O-N 3.08Å; E217-A220 PolarHBondContact OE1-N 3.11Å; E217-A220 VanDerWaalsContact OE2-CB 3.25Å; E217-A220 WeakPolarHBondContact OE2-CB 3.38Å; E217-E221 WeakPolarHBondContact O-CG 3.47Å; E217-E221 PolarHBondContact O-N 3.44Å; E217-E221 VanDerWaalsContact O-N 3.09Å; E217-R223 IonicContact OE1-CZ 3.84Å; E217-R223 IonicContact OE1-NH2 3.94Å; E217-R223 PolarHBondContact OE1-NH2 2.91Å; E217-R223 IonicContact OE2-NH2 2.7Å
218L91Very high90.7Very high0 Ų041.8 Ų41.80%024%0.238CC..Hα-helixtrans-62.2-33.6-171.3-72.6-177.9000111.9L133 I202 E206 L209 E221 E222L133-L218 HydrophobicContact CB-CD2 4.46Å; L133-L218 HydrophobicContact CD2-CB 3.79Å; L133-L218 HydrophobicContact CD2-CD1 4.45Å; L133-L218 HydrophobicContact CD2-CD2 3.78Å; L133-L218 HydrophobicContact CD2-CG 4.21Å; L133-L218 HydrophobicContact CG-CD2 3.82Å; I202-L218 HydrophobicContact CD1-CB 3.86Å; I202-L218 HydrophobicContact CD1-CD1 4.22Å; I202-L218 HydrophobicContact CG2-CB 4.29Å; E206-L218 HydrophobicContact CG-CB 4.08Å; E206-L218 HydrophobicContact CG-CD1 3.84Å; E206-L218 HydrophobicContact CG-CG 3.66Å; E206-L218 PolarHBondContact OE1-N 3.06Å; L209-L218 HydrophobicContact CD1-CD1 4.18Å; L209-L218 HydrophobicContact CD1-CD2 3.63Å; L209-L218 HydrophobicContact CD1-CG 4.1Å; L218-E221 PolarHBondContact O-N 3.28Å; L218-E222 WeakPolarHBondContact O-CG 3.16Å; L218-E222 PolarHBondContact O-N 2.85Å
219R88.4Confident90.7Very high57 Ų5740.8 Ų40.822%0.21523%0.233CC..Hα-helixtrans-66.2-37.1176.8-68.9-56.1-157.9158.75.8112.7V154 I202 E217 E222 R223V154-R219 PolarHBondContact O-NH1 3.14Å; I202-R219 HydrophobicContact CG2-CG 4.31Å; E217-R219 PolarHBondContact O-N 2.98Å; E217-R219 VanDerWaalsContact OE1-CB 3.27Å; E217-R219 WeakPolarHBondContact OE1-CB 3.27Å; R219-E222 WeakPolarHBondContact CD-OE2 3.27Å; R219-E222 IonicContact CZ-OE2 3.36Å; R219-E222 IonicContact NE-OE2 2.81Å; R219-E222 IonicContact NH1-OE2 3.92Å; R219-E222 PolarHBondContact NH1-OE2 3.39Å; R219-E222 PolarHBondContact O-N 2.82Å; R219-R223 WeakPolarHBondContact O-CG 3.38Å; R219-R223 PolarHBondContact O-N 2.9Å
220A86.7Confident90.6Very high24 Ų2440.5 Ų40.520%0.19823%0.231CC..Hα-helixtrans-65.1-42.8171.600000111.4E217 E222 R223 Q224E217-A220 HydrophobicContact CB-CB 4.17Å; E217-A220 HydrophobicContact CG-CB 4.33Å; E217-A220 PolarHBondContact O-N 3.03Å; E217-A220 VanDerWaalsContact O-N 3.08Å; E217-A220 PolarHBondContact OE1-N 3.11Å; E217-A220 VanDerWaalsContact OE2-CB 3.25Å; E217-A220 WeakPolarHBondContact OE2-CB 3.38Å; A220-E222 VanDerWaalsContact C-N 3.29Å; A220-E222 PolarHBondContact O-N 3.09Å; A220-R223 PolarHBondContact O-N 2.76Å; A220-R223 VanDerWaalsContact O-N 3.16Å; A220-Q224 PolarHBondContact O-N 2.75Å
221E89.1Confident90.3Very high32 Ų3233.2 Ų33.215%0.1520%0.204CC..Hα-helixtrans-62.8-35.2176.5-62.9-63.7151.800112.2L133 A137 R143 Y145 A216 E217 L218 Q224L133-E221 HydrophobicContact CD1-CB 4.07Å; L133-E221 HydrophobicContact CG-CB 4.5Å; A137-E221 HydrophobicContact CB-CB 4.42Å; A137-E221 HydrophobicContact CB-CG 3.65Å; R143-E221 IonicContact CZ-OE2 2.85Å; R143-E221 VanDerWaalsContact CZ-OE2 3.25Å; R143-E221 PolarHBondContact NH1-O 3.42Å; R143-E221 IonicContact NH1-OE2 3.22Å; R143-E221 PolarHBondContact NH1-OE2 3.5Å; R143-E221 IonicContact NH2-OE2 2.7Å; R143-E221 PolarHBondContact NH2-OE2 3.37Å; Y145-E221 PolarHBondContact OH-O 2.88Å; A216-E221 HydrophobicContact CB-CG 4.41Å; E217-E221 WeakPolarHBondContact O-CG 3.47Å; E217-E221 PolarHBondContact O-N 3.44Å; E217-E221 VanDerWaalsContact O-N 3.09Å; L218-E221 PolarHBondContact O-N 3.28Å; E221-Q224 PolarHBondContact O-N 3.27Å; E221-Q224 PolarHBondContact OE2-OE1 3.41Å
222E90Very high90.1Very high0 Ų029.6 Ų29.60%018%0.179CC..Hα-helixtrans-60.1-45.9172.6-73.4-175.4136.300112Y126 L133 Y145 T158 R198 L218 R219 A220 Q224 A225Y126-E222 HydrophobicContact CE2-CG 4Å; Y126-E222 VanDerWaalsContact CE2-OE1 3.28Å; Y126-E222 WeakPolarHBondContact CE2-OE1 3.29Å; Y126-E222 VanDerWaalsContact CZ-OE1 3.27Å; Y126-E222 WeakPolarHBondContact OH-CG 3.41Å; Y126-E222 PolarHBondContact OH-OE1 3.04Å; L133-E222 HydrophobicContact CD1-CG 4.03Å; L133-E222 HydrophobicContact CD2-CG 3.51Å; L133-E222 HydrophobicContact CG-CG 4.44Å; Y145-E222 HydrophobicContact CE2-CB 4.48Å; Y145-E222 WeakPolarHBondContact OH-CA 3.48Å; T158-E222 HydrophobicContact CG2-CB 4.17Å; R198-E222 IonicContact CZ-OE1 3.49Å; R198-E222 IonicContact NH2-OE1 2.88Å; R198-E222 PolarHBondContact NH2-OE1 2.61Å; L218-E222 WeakPolarHBondContact O-CG 3.16Å; L218-E222 PolarHBondContact O-N 2.85Å; R219-E222 WeakPolarHBondContact CD-OE2 3.27Å; R219-E222 IonicContact CZ-OE2 3.36Å; R219-E222 IonicContact NE-OE2 2.81Å; R219-E222 IonicContact NH1-OE2 3.92Å; R219-E222 PolarHBondContact NH1-OE2 3.39Å; R219-E222 PolarHBondContact O-N 2.82Å; A220-E222 VanDerWaalsContact C-N 3.29Å; A220-E222 PolarHBondContact O-N 3.09Å; E222-Q224 PolarHBondContact O-N 3.03Å; E222-A225 WeakPolarHBondContact O-CB 3.24Å; E222-A225 PolarHBondContact O-N 2.88Å
223R86.1Confident89.9Confident58 Ų5827.9 Ų27.922%0.21917%0.17CC..Hα-helixtrans-63.6-29.4-177.7-72.3-177.2-71-96.5-2.3112.7E217 R219 A220 A225 K488E217-R223 IonicContact OE1-CZ 3.84Å; E217-R223 IonicContact OE1-NH2 3.94Å; E217-R223 PolarHBondContact OE1-NH2 2.91Å; E217-R223 IonicContact OE2-NH2 2.7Å; R219-R223 WeakPolarHBondContact O-CG 3.38Å; R219-R223 PolarHBondContact O-N 2.9Å; A220-R223 PolarHBondContact O-N 2.76Å; A220-R223 VanDerWaalsContact O-N 3.16Å; R223-A225 PolarHBondContact O-N 3.36Å; R223-K488 PolarHBondContact O-NZ 3.5Å
224Q88.1Confident89.6Confident78 Ų7828.4 Ų28.436%0.36415%0.153SC..THydrogen-bonded Turntrans-71.5-9.7179.2-69.6-178.4-1.600114.8A220 E221 E222 I226A220-Q224 PolarHBondContact O-N 2.75Å; E221-Q224 PolarHBondContact O-N 3.27Å; E221-Q224 PolarHBondContact OE2-OE1 3.41Å; E222-Q224 PolarHBondContact O-N 3.03Å; Q224-I226 PolarHBondContact O-N 3.28Å
225A91.7Very high89.6Confident0 Ų027.1 Ų27.10%015%0.15CC..  trans-66.1135175.800000111.9R143 Y145 F159 E222 R223 F227 L485 K488R143-A225 HydrophobicContact CG-CB 4.01Å; R143-A225 WeakPolarHBondContact O-CA 3.45Å; Y145-A225 HydrophobicContact CD1-CB 4.21Å; Y145-A225 HydrophobicContact CD2-CB 3.71Å; Y145-A225 HydrophobicContact CE1-CB 3.91Å; Y145-A225 HydrophobicContact CE2-CB 3.35Å; Y145-A225 HydrophobicContact CG-CB 4.09Å; Y145-A225 VanDerWaalsContact CZ-CB 3.45Å; F159-A225 HydrophobicContact CE1-CB 3.98Å; F159-A225 HydrophobicContact CZ-CB 3.89Å; E222-A225 WeakPolarHBondContact O-CB 3.24Å; E222-A225 PolarHBondContact O-N 2.88Å; R223-A225 PolarHBondContact O-N 3.36Å; A225-F227 PolarHBondContact O-N 2.81Å; A225-L485 WeakPolarHBondContact O-CD2 3.46Å; A225-K488 PolarHBondContact O-NZ 3.09Å
226I92.6Very high89.8Confident1 Ų123.4 Ų23.41%0.00511%0.111CC..SBendtrans-63.3-45.9-175.5-61.3157.5000110.4F121 P142 R143 V144 Q224 W470 A471 F475 R481 F484F121-I226 HydrophobicContact CE2-CD1 3.79Å; F121-I226 HydrophobicContact CZ-CD1 4.09Å; P142-I226 HydrophobicContact CB-CD1 4.25Å; R143-I226 PolarHBondContact O-N 3.11Å; V144-I226 HydrophobicContact CG1-CB 3.99Å; V144-I226 HydrophobicContact CG1-CD1 4.23Å; Q224-I226 PolarHBondContact O-N 3.28Å; I226-W470 HydrophobicContact CG2-CZ3 4.35Å; I226-A471 HydrophobicContact CD1-CB 4.03Å; I226-A471 HydrophobicContact CG2-CB 4.02Å; I226-F475 HydrophobicContact CD1-CB 3.56Å; I226-F475 HydrophobicContact CD1-CG 4.34Å; I226-F475 HydrophobicContact CG1-CB 3.92Å; I226-F475 HydrophobicContact CG1-CG 4.32Å; I226-F475 HydrophobicContact CG2-CB 4.35Å; I226-F475 HydrophobicContact CG2-CD2 3.69Å; I226-F475 HydrophobicContact CG2-CE2 4.14Å; I226-F475 HydrophobicContact CG2-CG 3.94Å; I226-R481 HydrophobicContact CG1-CG 4.29Å; I226-F484 HydrophobicContact CG2-CE1 4.45Å
227F92.6Very high90.1Very high1 Ų123.3 Ų23.30%0.00411%0.109CC..  trans-150.5160.317268.8-100.1000111.5V144 Y145 L146 A225 A229 S245 K247 W467 I468 A471V144-F227 HydrophobicContact CB-CD1 4.28Å; V144-F227 HydrophobicContact CB-CD2 4.48Å; V144-F227 HydrophobicContact CB-CE1 3.91Å; V144-F227 HydrophobicContact CB-CE2 4.1Å; V144-F227 HydrophobicContact CB-CZ 3.8Å; V144-F227 HydrophobicContact CG1-CD1 3.62Å; V144-F227 HydrophobicContact CG1-CE1 3.33Å; V144-F227 HydrophobicContact CG1-CE2 4.41Å; V144-F227 HydrophobicContact CG1-CG 4.28Å; V144-F227 HydrophobicContact CG1-CZ 3.77Å; V144-F227 HydrophobicContact CG2-CZ 4.16Å; Y145-F227 PolarHBondContact N-O 3.41Å; L146-F227 HydrophobicContact CD2-CE2 4.02Å; A225-F227 PolarHBondContact O-N 2.81Å; F227-A229 HydrophobicContact CD2-CB 3.9Å; F227-A229 HydrophobicContact CE2-CB 3.73Å; F227-S245 CarbonylContact C-O 3.52Å; F227-S245 WeakPolarHBondContact CA-O 3.35Å; F227-S245 VanDerWaalsContact CB-O 3.27Å; F227-S245 WeakPolarHBondContact CB-O 3.48Å; F227-K247 HydrophobicContact CB-CG 4.42Å; F227-K247 HydrophobicContact CD2-CG 4.04Å; F227-K247 HydrophobicContact CG-CG 4.29Å; F227-W467 HydrophobicContact CE1-CB 3.98Å; F227-W467 WeakPolarHBondContact CE1-O 3.38Å; F227-W467 HydrophobicContact CE2-CB 4.37Å; F227-W467 HydrophobicContact CZ-CB 3.72Å; F227-I468 HydrophobicContact CZ-CG1 4.32Å; F227-A471 HydrophobicContact CD1-CB 4.2Å; F227-A471 HydrophobicContact CE1-CB 3.76Å
228Y93.4Very high90.1Very high0 Ų019 Ų190%09%0.09CC..EExtended strand (participates in β ladder)trans-108.8137.8164170.8-93.2000109.6Y126 Y145 S147 L151 F159 T230 S245 V246 K247Y126-Y228 AromaticContact CD1-CD2 3.5Å; Y126-Y228 HydrophobicContact CD1-CD2 3.5Å; Y126-Y228 VanDerWaalsContact CD1-CD2 3.5Å; Y126-Y228 AromaticContact CD1-CE2 3.56Å; Y126-Y228 HydrophobicContact CD1-CE2 3.56Å; Y126-Y228 AromaticContact CE1-CD2 3.96Å; Y126-Y228 HydrophobicContact CE1-CD2 3.96Å; Y126-Y228 HydrophobicContact CE1-CE2 4.22Å; Y145-Y228 CarbonylContact O-C 3.59Å; Y145-Y228 WeakPolarHBondContact O-CA 3.45Å; S147-Y228 WeakPolarHBondContact CB-OH 3.01Å; S147-Y228 PolarHBondContact OG-OH 2.97Å; L151-Y228 HydrophobicContact CD1-CD1 3.55Å; L151-Y228 HydrophobicContact CD1-CE1 3.22Å; L151-Y228 HydrophobicContact CG-CE1 4.44Å; F159-Y228 HydrophobicContact CE2-CG 4.4Å; Y228-T230 HydrophobicContact CE1-CG2 4.38Å; Y228-S245 PolarHBondContact N-O 3.14Å; Y228-V246 HydrophobicContact CD1-CG1 4.3Å; Y228-V246 CarbonylContact O-C 3.44Å; Y228-V246 VanDerWaalsContact O-CA 3.27Å; Y228-V246 WeakPolarHBondContact O-CA 3.39Å; Y228-K247 PolarHBondContact O-N 2.98Å
229A93.1Very high90Very high0 Ų022.5 Ų22.50%011%0.113CC..EExtended strand (participates in β ladder)trans-134.6142.8177.700000112.9Y145 L146 S147 F227 K247 L249Y145-A229 PolarHBondContact O-N 3.36Å; L146-A229 CarbonylContact C-O 3.51Å; L146-A229 WeakPolarHBondContact CA-O 3.39Å; L146-A229 HydrophobicContact CD2-CB 3.67Å; S147-A229 PolarHBondContact N-O 3.49Å; F227-A229 HydrophobicContact CD2-CB 3.9Å; F227-A229 HydrophobicContact CE2-CB 3.73Å; A229-K247 CarbonylContact C-O 3.3Å; A229-K247 WeakPolarHBondContact CA-O 3.43Å; A229-K247 HydrophobicContact CB-CB 3.82Å; A229-L249 HydrophobicContact CB-CD1 3.55Å; A229-L249 HydrophobicContact CB-CD2 4.26Å; A229-L249 HydrophobicContact CB-CG 3.8Å
230T92.2Very high90Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-125.1146-178.5172.50000110.6Y149 L151 Y228 L232 K247 Y248 L249Y149-T230 PolarHBondContact O-OG1 3.47Å; L151-T230 HydrophobicContact CB-CG2 4.46Å; Y228-T230 HydrophobicContact CE1-CG2 4.38Å; T230-L232 HydrophobicContact CG2-CB 4.07Å; T230-L232 PolarHBondContact O-N 2.66Å; T230-L232 WeakPolarHBondContact OG1-CB 3.39Å; T230-L232 PolarHBondContact OG1-N 2.98Å; T230-L232 VanDerWaalsContact OG1-N 3.13Å; T230-K247 PolarHBondContact N-O 2.83Å; T230-Y248 HydrophobicContact CG2-CD1 3.81Å; T230-Y248 HydrophobicContact CG2-CE1 4.01Å; T230-Y248 HydrophobicContact CG2-CG 4.43Å; T230-L249 PolarHBondContact O-N 2.65Å
231P88.7Confident90.1Very high6 Ų622.8 Ų22.84%0.03912%0.116CC..SBendtrans-75.9-3.9172.831.8-38.7000112.4S147 E233 G250 M358 V362S147-P231 WeakPolarHBondContact O-CD 3.39Å; P231-E233 PolarHBondContact O-N 2.93Å; P231-G250 CarbonylContact O-C 3.53Å; P231-G250 VanDerWaalsContact O-C 3.3Å; P231-G250 VanDerWaalsContact O-CA 3.27Å; P231-G250 WeakPolarHBondContact O-CA 3.33Å; P231-M358 HydrophobicContact CB-CG 4.45Å; P231-M358 HydrophobicContact CG-CG 3.66Å; P231-V362 WeakPolarHBondContact O-CG2 3.32Å
232L89.9Confident90Very high1 Ų124.7 Ų24.71%0.00513%0.127CC..SBendtrans-57.9138.2172.9-179.860.1000110P150 T230 L236 D237 Y248 G250 M358 Y382P150-L232 HydrophobicContact CB-CD2 3.74Å; T230-L232 HydrophobicContact CG2-CB 4.07Å; T230-L232 PolarHBondContact O-N 2.66Å; T230-L232 WeakPolarHBondContact OG1-CB 3.39Å; T230-L232 PolarHBondContact OG1-N 2.98Å; T230-L232 VanDerWaalsContact OG1-N 3.13Å; L232-L236 HydrophobicContact CD1-CB 3.66Å; L232-D237 HydrophobicContact CD2-CB 3.59Å; L232-D237 VanDerWaalsContact CD2-CG 3.44Å; L232-D237 HydrophobicContact CG-CB 4.38Å; L232-Y248 HydrophobicContact CB-CD1 4.32Å; L232-Y248 HydrophobicContact CD2-CE1 4.14Å; L232-Y248 HydrophobicContact CG-CD1 4.41Å; L232-Y248 HydrophobicContact CG-CE1 4.33Å; L232-Y248 WeakPolarHBondContact O-CD1 3.43Å; L232-G250 PolarHBondContact O-N 2.92Å; L232-M358 HydrophobicContact CB-CE 4.43Å; L232-M358 HydrophobicContact CB-SD 3.8Å; L232-M358 HydrophobicContact CD1-CE 3.69Å; L232-M358 HydrophobicContact CD1-SD 3.7Å; L232-M358 HydrophobicContact CG-SD 4.31Å; L232-Y382 HydrophobicContact CD2-CE1 4.44Å
233E88.5Confident89.9Confident3 Ų326.2 Ų26.21%0.01414%0.138CC..  trans-75.4133.5168.5-65.4-72-17800109.3P231 L235 L236 D237 G250 F251 V362 N366 L445 Q449P231-E233 PolarHBondContact O-N 2.93Å; E233-L235 PolarHBondContact O-N 3.45Å; E233-L235 VanDerWaalsContact O-N 3.12Å; E233-L236 HydrophobicContact CB-CB 4.28Å; E233-L236 HydrophobicContact CB-CD1 4Å; E233-L236 HydrophobicContact CB-CG 3.96Å; E233-L236 HydrophobicContact CG-CD1 4.27Å; E233-L236 WeakPolarHBondContact O-CA 3.45Å; E233-L236 WeakPolarHBondContact O-CB 3.44Å; E233-L236 PolarHBondContact O-N 3.07Å; E233-D237 PolarHBondContact O-N 3.09Å; E233-G250 VanDerWaalsContact CD-CA 3.42Å; E233-G250 WeakPolarHBondContact OE2-CA 3.25Å; E233-F251 PolarHBondContact OE1-N 2.77Å; E233-V362 HydrophobicContact CG-CG1 3.83Å; E233-V362 HydrophobicContact CG-CG2 4.16Å; E233-V362 VanDerWaalsContact OE1-CG1 3.31Å; E233-V362 WeakPolarHBondContact OE1-CG1 3.42Å; E233-N366 PolarHBondContact OE1-ND2 3.49Å; E233-L445 HydrophobicContact CB-CD1 4.46Å; E233-L445 HydrophobicContact CB-CD2 3.74Å; E233-L445 HydrophobicContact CG-CD1 4.02Å; E233-L445 HydrophobicContact CG-CD2 3.98Å; E233-Q449 VanDerWaalsContact CD-NE2 3.26Å; E233-Q449 PolarHBondContact OE1-NE2 2.8Å; E233-Q449 PolarHBondContact OE2-NE2 3.14Å
234F88Confident89.8Confident79 Ų7929.5 Ų29.535%0.34616%0.159SC..G310 helixtrans-50.3-42-179.3171.1-105000113.4L236 D237 L242 Y248 Y448F234-L236 PolarHBondContact O-N 3.1Å; F234-D237 PolarHBondContact O-N 3.4Å; F234-L242 HydrophobicContact CD2-CD1 3.91Å; F234-L242 HydrophobicContact CE2-CD1 3.51Å; F234-Y248 HydrophobicContact CB-CD1 4.31Å; F234-Y248 HydrophobicContact CB-CD2 4.3Å; F234-Y248 HydrophobicContact CB-CG 3.98Å; F234-Y248 HydrophobicContact CD2-CD2 4.01Å; F234-Y248 AromaticContact CD2-CE2 3.99Å; F234-Y248 HydrophobicContact CD2-CE2 3.99Å; F234-Y248 HydrophobicContact CD2-CG 4.46Å; F234-Y448 HydrophobicContact CB-CE1 3.85Å; F234-Y448 HydrophobicContact CD1-CE2 4Å; F234-Y448 HydrophobicContact CG-CE2 4.42Å
235L89.6Confident89.8Confident42 Ų4226.2 Ų26.222%0.2215%0.145CC..G310 helixtrans-69.1-14.4179.4-63.5-178.4000114.3E233 K390 M444 L445E233-L235 PolarHBondContact O-N 3.45Å; E233-L235 VanDerWaalsContact O-N 3.12Å; L235-K390 WeakPolarHBondContact O-CE 3.46Å; L235-K390 PolarHBondContact O-NZ 2.85Å; L235-M444 HydrophobicContact CD1-CB 3.67Å; L235-M444 HydrophobicContact CD1-CE 4.14Å; L235-L445 HydrophobicContact CB-CD2 4.03Å; L235-L445 HydrophobicContact CD1-CD2 3.81Å; L235-L445 HydrophobicContact CD1-CG 4.25Å; L235-L445 HydrophobicContact CG-CD2 4.05Å
236L91.6Very high89.8Confident1 Ų126.7 Ų26.71%0.00515%0.148CC..G310 helixtrans-96.4-5.3177.4-62.3-175.9000112.4L232 E233 F234 V365 R386 L387 K390 L441L232-L236 HydrophobicContact CD1-CB 3.66Å; E233-L236 HydrophobicContact CB-CB 4.28Å; E233-L236 HydrophobicContact CB-CD1 4Å; E233-L236 HydrophobicContact CB-CG 3.96Å; E233-L236 HydrophobicContact CG-CD1 4.27Å; E233-L236 WeakPolarHBondContact O-CA 3.45Å; E233-L236 WeakPolarHBondContact O-CB 3.44Å; E233-L236 PolarHBondContact O-N 3.07Å; F234-L236 PolarHBondContact O-N 3.1Å; L236-V365 HydrophobicContact CD1-CG2 4.3Å; L236-R386 WeakPolarHBondContact O-CB 3.32Å; L236-R386 WeakPolarHBondContact O-CD 3.2Å; L236-R386 WeakPolarHBondContact O-CG 3.33Å; L236-L387 HydrophobicContact CD1-CD2 3.89Å; L236-L387 HydrophobicContact CD2-CD2 3.67Å; L236-L387 HydrophobicContact CG-CD2 4.42Å; L236-K390 HydrophobicContact CD2-CG 4.24Å; L236-L441 HydrophobicContact CD2-CD2 4.12Å
237D91.5Very high89.7Confident13 Ų1328.2 Ų28.27%0.0716%0.155CC..SBendtrans-79.8159.9174.4-151.1-9.3000112.1L232 E233 F234 R240 Y248 Y382L232-D237 HydrophobicContact CD2-CB 3.59Å; L232-D237 VanDerWaalsContact CD2-CG 3.44Å; L232-D237 HydrophobicContact CG-CB 4.38Å; E233-D237 PolarHBondContact O-N 3.09Å; F234-D237 PolarHBondContact O-N 3.4Å; D237-R240 IonicContact OD1-CZ 3.4Å; D237-R240 IonicContact OD1-NE 2.61Å; D237-R240 IonicContact OD1-NH2 2.68Å; D237-R240 PolarHBondContact OD1-NH2 3.29Å; D237-R240 IonicContact OD2-CZ 3.73Å; D237-R240 IonicContact OD2-NE 2.66Å; D237-R240 IonicContact OD2-NH2 3.15Å; D237-Y248 HydrophobicContact CB-CE1 3.88Å; D237-Y248 VanDerWaalsContact OD2-CE1 3.27Å; D237-Y248 WeakPolarHBondContact OD2-CE1 3.38Å; D237-Y248 VanDerWaalsContact OD2-CZ 3.28Å; D237-Y248 PolarHBondContact OD2-OH 2.82Å; D237-Y382 PolarHBondContact OD1-OH 3.45Å
238G88.6Confident89.5Confident4 Ų429.4 Ų29.44%0.04116%0.16CC..PPolyproline II helixtrans-67.2147.1164.800000110.5R240 Y382G238-R240 PolarHBondContact O-N 3.08Å; G238-Y382 PolarHBondContact N-OH 3.08Å
239P89.1Confident89.2Confident72 Ų7230.1 Ų30.147%0.46816%0.163SC..SBendtrans-62.7121.1-179.927.6-33.7000109.8Y167 V168Y167-P239 WeakPolarHBondContact CD2-O 3.27Å; V168-P239 WeakPolarHBondContact CG2-O 3.28Å
240R90.1Very high88.7Confident28 Ų2830.2 Ų30.211%0.10616%0.164CC..  trans-151.1156.8176.368.9179.184.5-171.612.2111.8L151 V161 S163 V168 D237 G238 L242L151-R240 PolarHBondContact O-NH1 2.96Å; L151-R240 VanDerWaalsContact O-NH1 3.1Å; L151-R240 PolarHBondContact O-NH2 3.5Å; V161-R240 HydrophobicContact CG1-CG 4.37Å; S163-R240 PolarHBondContact OG-NH1 3.22Å; S163-R240 VanDerWaalsContact OG-NH1 3.14Å; V168-R240 HydrophobicContact CG2-CB 3.86Å; D237-R240 IonicContact OD1-CZ 3.4Å; D237-R240 IonicContact OD1-NE 2.61Å; D237-R240 IonicContact OD1-NH2 2.68Å; D237-R240 PolarHBondContact OD1-NH2 3.29Å; D237-R240 IonicContact OD2-CZ 3.73Å; D237-R240 IonicContact OD2-NE 2.66Å; D237-R240 IonicContact OD2-NH2 3.15Å; G238-R240 PolarHBondContact O-N 3.08Å; R240-L242 HydrophobicContact CG-CD2 3.98Å
241P87.9Confident87.6Confident59 Ų5931.6 Ų31.638%0.38317%0.17SC..  trans-59.4146.4167.2-21.234.6000110.5V161 P162V161-P241 WeakPolarHBondContact CG1-O 3.45Å; P162-P241 HydrophobicContact CG-CB 4.31Å; P162-P241 HydrophobicContact CG-CG 4.12Å
242L87.5Confident86.4Confident73 Ų7333.5 Ų33.538%0.38218%0.179SC..  trans-128.5143.6178.6-66.1177.3000110.7L151 V161 F234 R240 Y248L151-L242 HydrophobicContact CD2-CD2 4.28Å; V161-L242 HydrophobicContact CG1-CD2 4.31Å; F234-L242 HydrophobicContact CD2-CD1 3.91Å; F234-L242 HydrophobicContact CE2-CD1 3.51Å; R240-L242 HydrophobicContact CG-CD2 3.98Å; L242-Y248 HydrophobicContact CD1-CD2 4.32Å; L242-Y248 HydrophobicContact CD1-CE2 3.53Å; L242-Y248 HydrophobicContact CD2-CE2 3.73Å; L242-Y248 WeakPolarHBondContact CD2-OH 3.37Å; L242-Y248 HydrophobicContact CG-CE2 4.29Å
243S86.3Confident84.8Confident31 Ų3139.4 Ų39.422%0.21720%0.202CC..  trans-103.1159.4171.681.30000110.5F159 S245 V246F159-S243 WeakPolarHBondContact O-CB 3.34Å; F159-S243 PolarHBondContact O-OG 3.46Å; S243-S245 PolarHBondContact O-N 3.03Å; S243-S245 PolarHBondContact OG-N 2.99Å; S243-S245 PolarHBondContact OG-OG 3.5Å; S243-V246 PolarHBondContact O-N 2.89Å; S243-V246 VanDerWaalsContact O-N 3.09Å
244N84.9Confident83Confident127 Ų12739.7 Ų39.768%0.67920%0.204SC*.THydrogen-bonded Turntrans-64.2-10.7175-74.2-27.3000113.5K247N244-K247 WeakPolarHBondContact O-CE 3.24Å; N244-K247 PolarHBondContact O-NZ 2.78Å
245S87.9Confident80.9Confident9 Ų937.6 Ų37.66%0.06320%0.2CC..THydrogen-bonded Turntrans-89.81.1176.6700000113.6F159 F227 Y228 S243F159-S245 PolarHBondContact O-OG 3.47Å; F227-S245 CarbonylContact C-O 3.52Å; F227-S245 WeakPolarHBondContact CA-O 3.35Å; F227-S245 VanDerWaalsContact CB-O 3.27Å; F227-S245 WeakPolarHBondContact CB-O 3.48Å; Y228-S245 PolarHBondContact N-O 3.14Å; S243-S245 PolarHBondContact O-N 3.03Å; S243-S245 PolarHBondContact OG-N 2.99Å; S243-S245 PolarHBondContact OG-OG 3.5Å
246V91.2Very high79Confident11 Ų1142.4 Ų42.47%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-112.1130.5172174.50000110.6L151 F159 V161 Y228 S243 Y248L151-V246 HydrophobicContact CD1-CG1 4.12Å; L151-V246 HydrophobicContact CD2-CG1 4.03Å; F159-V246 HydrophobicContact CB-CG2 3.76Å; F159-V246 HydrophobicContact CG-CG2 4.34Å; V161-V246 HydrophobicContact CG2-CB 4.33Å; V161-V246 HydrophobicContact CG2-CG2 3.64Å; Y228-V246 HydrophobicContact CD1-CG1 4.3Å; Y228-V246 CarbonylContact O-C 3.44Å; Y228-V246 VanDerWaalsContact O-CA 3.27Å; Y228-V246 WeakPolarHBondContact O-CA 3.39Å; S243-V246 PolarHBondContact O-N 2.89Å; S243-V246 VanDerWaalsContact O-N 3.09Å; V246-Y248 HydrophobicContact CG1-CE2 4.3Å
247K90.1Very high76.9Confident32 Ų3245.9 Ų45.914%0.13923%0.229CC..EExtended strand (participates in β ladder)trans-121124.8-178.4-50.7-62176.1-172.60111.5F227 Y228 A229 T230 N244 L249 W467F227-K247 HydrophobicContact CB-CG 4.42Å; F227-K247 HydrophobicContact CD2-CG 4.04Å; F227-K247 HydrophobicContact CG-CG 4.29Å; Y228-K247 PolarHBondContact O-N 2.98Å; A229-K247 CarbonylContact C-O 3.3Å; A229-K247 WeakPolarHBondContact CA-O 3.43Å; A229-K247 HydrophobicContact CB-CB 3.82Å; T230-K247 PolarHBondContact N-O 2.83Å; N244-K247 WeakPolarHBondContact O-CE 3.24Å; N244-K247 PolarHBondContact O-NZ 2.78Å; K247-L249 HydrophobicContact CB-CD2 4.4Å; K247-W467 HydrophobicContact CD-CD2 4.16Å; K247-W467 HydrophobicContact CD-CE3 4.28Å; K247-W467 HydrophobicContact CD-CH2 4.28Å; K247-W467 HydrophobicContact CD-CZ2 4.14Å; K247-W467 HydrophobicContact CD-CZ3 4.35Å; K247-W467 HydrophobicContact CG-CD2 4.33Å; K247-W467 HydrophobicContact CG-CG 4.5Å
248Y90.4Very high74.4Confident27 Ų2751.2 Ų51.211%0.10626%0.255CS..EExtended strand (participates in β ladder)trans-88107.3166.2-66.9-92.4000108.2L151 T230 L232 F234 D237 L242 V246 G250L151-Y248 WeakPolarHBondContact CD2-OH 3.18Å; T230-Y248 HydrophobicContact CG2-CD1 3.81Å; T230-Y248 HydrophobicContact CG2-CE1 4.01Å; T230-Y248 HydrophobicContact CG2-CG 4.43Å; L232-Y248 HydrophobicContact CB-CD1 4.32Å; L232-Y248 HydrophobicContact CD2-CE1 4.14Å; L232-Y248 HydrophobicContact CG-CD1 4.41Å; L232-Y248 HydrophobicContact CG-CE1 4.33Å; L232-Y248 WeakPolarHBondContact O-CD1 3.43Å; F234-Y248 HydrophobicContact CB-CD1 4.31Å; F234-Y248 HydrophobicContact CB-CD2 4.3Å; F234-Y248 HydrophobicContact CB-CG 3.98Å; F234-Y248 HydrophobicContact CD2-CD2 4.01Å; F234-Y248 AromaticContact CD2-CE2 3.99Å; F234-Y248 HydrophobicContact CD2-CE2 3.99Å; F234-Y248 HydrophobicContact CD2-CG 4.46Å; D237-Y248 HydrophobicContact CB-CE1 3.88Å; D237-Y248 VanDerWaalsContact OD2-CE1 3.27Å; D237-Y248 WeakPolarHBondContact OD2-CE1 3.38Å; D237-Y248 VanDerWaalsContact OD2-CZ 3.28Å; D237-Y248 PolarHBondContact OD2-OH 2.82Å; L242-Y248 HydrophobicContact CD1-CD2 4.32Å; L242-Y248 HydrophobicContact CD1-CE2 3.53Å; L242-Y248 HydrophobicContact CD2-CE2 3.73Å; L242-Y248 WeakPolarHBondContact CD2-OH 3.37Å; L242-Y248 HydrophobicContact CG-CE2 4.29Å; V246-Y248 HydrophobicContact CG1-CE2 4.3Å; Y248-G250 VanDerWaalsContact C-N 3.32Å
249L86.7Confident72.4Confident15 Ų1553.9 Ų53.98%0.07927%0.268CS..  trans-81.5-20.8178.4-58.3173.2000111.2L146 A229 T230 K247 L252 A463 P464L146-L249 HydrophobicContact CD2-CD1 4.05Å; A229-L249 HydrophobicContact CB-CD1 3.55Å; A229-L249 HydrophobicContact CB-CD2 4.26Å; A229-L249 HydrophobicContact CB-CG 3.8Å; T230-L249 PolarHBondContact O-N 2.65Å; K247-L249 HydrophobicContact CB-CD2 4.4Å; L249-L252 HydrophobicContact CB-CD2 3.8Å; L249-L252 HydrophobicContact CD1-CD2 4.36Å; L249-A463 HydrophobicContact CD2-CB 4.04Å; L249-P464 HydrophobicContact CD1-CB 4.2Å; L249-P464 HydrophobicContact CD1-CG 4.05Å
250G81.8Confident70.3Confident1 Ų160.4 Ų60.41%0.0128%0.284CS..  trans55.4-139.9-178.100000111.4P231 L232 E233 Y248 L252P231-G250 CarbonylContact O-C 3.53Å; P231-G250 VanDerWaalsContact O-C 3.3Å; P231-G250 VanDerWaalsContact O-CA 3.27Å; P231-G250 WeakPolarHBondContact O-CA 3.33Å; L232-G250 PolarHBondContact O-N 2.92Å; E233-G250 VanDerWaalsContact CD-CA 3.42Å; E233-G250 WeakPolarHBondContact OE2-CA 3.25Å; Y248-G250 VanDerWaalsContact C-N 3.32Å; G250-L252 PolarHBondContact O-N 2.75Å
251F68.9Low68.3Low29 Ų2961 Ų6113%0.12730%0.299CS..SBendtrans-67108.8179.7-167.8-131.5000112.7E233 W253 L341 V362 E363 N366E233-F251 PolarHBondContact OE1-N 2.77Å; F251-W253 VanDerWaalsContact C-N 3.28Å; F251-W253 AromaticContact CD1-CD1 3.68Å; F251-W253 AromaticContact CE1-CD1 3.66Å; F251-W253 PolarHBondContact O-N 2.99Å; F251-L341 HydrophobicContact CE1-CD1 4.16Å; F251-L341 HydrophobicContact CE2-CD1 4.17Å; F251-L341 HydrophobicContact CE2-CD2 4.46Å; F251-L341 HydrophobicContact CZ-CD1 3.39Å; F251-L341 HydrophobicContact CZ-CD2 3.65Å; F251-L341 HydrophobicContact CZ-CG 4.16Å; F251-V362 VanDerWaalsContact CA-CG1 3.41Å; F251-V362 HydrophobicContact CB-CG1 3.46Å; F251-V362 VanDerWaalsContact CB-CG1 3.46Å; F251-V362 HydrophobicContact CD2-CG1 3.75Å; F251-V362 HydrophobicContact CG-CG1 3.99Å; F251-E363 HydrophobicContact CD2-CG 4.17Å; F251-E363 HydrophobicContact CE2-CB 4.28Å; F251-E363 HydrophobicContact CE2-CG 3.4Å; F251-E363 HydrophobicContact CZ-CG 4.18Å; F251-N366 HydrophobicContact CB-CB 4.43Å; F251-N366 WeakPolarHBondContact CB-ND2 3.37Å; F251-N366 HydrophobicContact CD1-CB 4.04Å; F251-N366 HydrophobicContact CG-CB 4.14Å
252L64.8Low66.3Low46 Ų4662.1 Ų62.124%0.24130%0.295CS..  trans-67.386.9171.3-57.2-174.3000109.7M11 L249 G250 S254 P464M11-L252 HydrophobicContact CG-CD1 3.93Å; M11-L252 HydrophobicContact SD-CD1 4.23Å; L249-L252 HydrophobicContact CB-CD2 3.8Å; L249-L252 HydrophobicContact CD1-CD2 4.36Å; G250-L252 PolarHBondContact O-N 2.75Å; L252-S254 PolarHBondContact O-N 3.42Å; L252-P464 HydrophobicContact CD2-CG 3.4Å
253W55.2Low64.4Low125 Ų12560.3 Ų60.347%0.47328%0.284SS..  trans-59.2130.1162.9-114.159.7000108.2F251 M456 T462F251-W253 VanDerWaalsContact C-N 3.28Å; F251-W253 AromaticContact CD1-CD1 3.68Å; F251-W253 AromaticContact CE1-CD1 3.66Å; F251-W253 PolarHBondContact O-N 2.99Å; W253-M456 HydrophobicContact CB-CE 3.41Å; W253-M456 VanDerWaalsContact CB-CE 3.41Å; W253-M456 HydrophobicContact CD2-CE 3.83Å; W253-M456 HydrophobicContact CE3-CE 3.28Å; W253-M456 HydrophobicContact CG-CE 3.95Å; W253-M456 HydrophobicContact CZ3-CE 4.23Å; W253-T462 WeakPolarHBondContact O-CG2 3.46Å
254S50.5Low62.6Low9 Ų963.4 Ų63.46%0.06330%0.295CS..  trans-110.7137146.1155.70000107.8L252 Y256 W257L252-S254 PolarHBondContact O-N 3.42Å; S254-Y256 PolarHBondContact O-N 3.37Å; S254-Y256 VanDerWaalsContact O-N 3.09Å; S254-Y256 PolarHBondContact OG-N 3.21Å; S254-Y256 VanDerWaalsContact OG-N 3.11Å; S254-W257 VanDerWaalsContact CB-CD1 3.44Å; S254-W257 PolarHBondContact O-N 3.21Å
255S45Very low61Low36 Ų3661.1 Ų61.125%0.25229%0.286SS..THydrogen-bonded Turntrans-55.8-2117349.50000112.3
256Y49.2Very low59.3Low142 Ų14261.6 Ų61.656%0.55729%0.289SS*.THydrogen-bonded Turntrans-103.33.7-171.4-98-88.4000116.1S254 M258 D259S254-Y256 PolarHBondContact O-N 3.37Å; S254-Y256 VanDerWaalsContact O-N 3.09Å; S254-Y256 PolarHBondContact OG-N 3.21Å; S254-Y256 VanDerWaalsContact OG-N 3.11Å; Y256-M258 PolarHBondContact O-N 3.01Å; Y256-D259 PolarHBondContact O-N 2.78Å
257W46.3Very low57.2Low74 Ų7462.1 Ų62.128%0.2829%0.291SS..  trans-59.8-8.2164.8-70.387.6000112.2H14 S254 D259 L341 D342H14-W257 AromaticContact NE2-CZ2 3.99Å; S254-W257 VanDerWaalsContact CB-CD1 3.44Å; S254-W257 PolarHBondContact O-N 3.21Å; W257-D259 PolarHBondContact O-N 3.21Å; W257-D259 VanDerWaalsContact O-N 3.11Å; W257-L341 HydrophobicContact CB-CD2 3.77Å; W257-L341 HydrophobicContact CD2-CD2 3.59Å; W257-L341 HydrophobicContact CE3-CB 4.09Å; W257-L341 HydrophobicContact CE3-CD2 3.89Å; W257-L341 HydrophobicContact CG-CD2 3.53Å; W257-L341 HydrophobicContact CZ3-CB 4.41Å; W257-D342 VanDerWaalsContact O-OD2 3.06Å
258M40.2Very low55.2Low125 Ų12565.8 Ų65.862%0.61631%0.312SS*.  trans-77.938.5165.7-61.1-169.4-156.500113.8Y256 R260Y256-M258 PolarHBondContact O-N 3.01Å; M258-R260 PolarHBondContact O-N 3.43Å
259D46.5Very low53.3Low61 Ų6170 Ų7033%0.32634%0.341SS..  trans-72.978.7164.9-177.89.8000109Y256 W257 G261 R262 F263Y256-D259 PolarHBondContact O-N 2.78Å; W257-D259 PolarHBondContact O-N 3.21Å; W257-D259 VanDerWaalsContact O-N 3.11Å; D259-G261 PolarHBondContact O-N 3.09Å; D259-G261 VanDerWaalsContact O-N 3.09Å; D259-G261 WeakPolarHBondContact OD1-CA 3.35Å; D259-G261 PolarHBondContact OD1-N 3.24Å; D259-R262 PolarHBondContact O-N 3.05Å; D259-R262 PolarHBondContact OD1-N 2.9Å; D259-R262 WeakPolarHBondContact OD2-CG 3.48Å; D259-R262 IonicContact OD2-CZ 3.86Å; D259-R262 IonicContact OD2-NE 2.84Å; D259-R262 PolarHBondContact OD2-NE 3.08Å; D259-R262 IonicContact OD2-NH2 3.67Å; D259-F263 PolarHBondContact O-N 2.84Å
260R45.1Very low51.5Low209 Ų20970.4 Ų70.479%0.78934%0.344SS*.Hα-helixtrans-55.2-23173.5-71.1-165.3-86.6-169.1-4.3111.7M258 Q264M258-R260 PolarHBondContact O-N 3.43Å; R260-Q264 WeakPolarHBondContact O-CB 3.49Å; R260-Q264 PolarHBondContact O-N 2.97Å
261G47.5Very low49.7Very low41 Ų4177.6 Ų77.642%0.42339%0.388SS..Hα-helixtrans-62.7-53.5176.400000112.2D259 F263 Q264 T265D259-G261 PolarHBondContact O-N 3.09Å; D259-G261 VanDerWaalsContact O-N 3.09Å; D259-G261 WeakPolarHBondContact OD1-CA 3.35Å; D259-G261 PolarHBondContact OD1-N 3.24Å; G261-F263 PolarHBondContact O-N 3.38Å; G261-Q264 WeakPolarHBondContact O-CB 3.13Å; G261-Q264 PolarHBondContact O-N 3.25Å; G261-T265 PolarHBondContact O-N 3.17Å; G261-T265 PolarHBondContact O-OG1 3.23Å
262R47.2Very low48.8Very low81 Ų8180.9 Ų80.931%0.30640%0.404SS..Hα-helixtrans-67.2-34.4177.1-84.1-169.7-74.2174.2-0113.6D259 Q264 T265 V266D259-R262 PolarHBondContact O-N 3.05Å; D259-R262 PolarHBondContact OD1-N 2.9Å; D259-R262 WeakPolarHBondContact OD2-CG 3.48Å; D259-R262 IonicContact OD2-CZ 3.86Å; D259-R262 IonicContact OD2-NE 2.84Å; D259-R262 PolarHBondContact OD2-NE 3.08Å; D259-R262 IonicContact OD2-NH2 3.67Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3.36Å; R262-T265 PolarHBondContact O-N 3.38Å; R262-V266 PolarHBondContact O-N 3.41Å; R262-V266 VanDerWaalsContact O-N 3.09Å
263F46.8Very low48.2Very low36 Ų3682.7 Ų82.716%0.15842%0.421CS..Hα-helixtrans-58.9-44.5171.6-171.2-99.5000110.8D259 G261 V266 L267 L275 P339 D342 L343D259-F263 PolarHBondContact O-N 2.84Å; G261-F263 PolarHBondContact O-N 3.38Å; F263-V266 PolarHBondContact O-N 3.24Å; F263-L267 HydrophobicContact CD1-CD1 3.62Å; F263-L267 HydrophobicContact CD1-CG 4.35Å; F263-L267 HydrophobicContact CE1-CD1 3.36Å; F263-L267 HydrophobicContact CE1-CG 4.15Å; F263-L267 HydrophobicContact CZ-CD1 4.16Å; F263-L267 VanDerWaalsContact O-CG 3.3Å; F263-L267 WeakPolarHBondContact O-CG 3.38Å; F263-L267 PolarHBondContact O-N 2.89Å; F263-L267 VanDerWaalsContact O-N 3.08Å; F263-L275 HydrophobicContact CE1-CD1 3.83Å; F263-L275 HydrophobicContact CE1-CD2 4.14Å; F263-L275 HydrophobicContact CE1-CG 4.15Å; F263-L275 HydrophobicContact CZ-CD1 4.31Å; F263-L275 HydrophobicContact CZ-CD2 3.75Å; F263-L275 HydrophobicContact CZ-CG 4.14Å; F263-P339 HydrophobicContact CD2-CB 4.48Å; F263-P339 HydrophobicContact CD2-CG 3.73Å; F263-P339 HydrophobicContact CE2-CG 4.4Å; F263-D342 HydrophobicContact CD2-CB 4Å; F263-D342 HydrophobicContact CE2-CB 4.24Å; F263-L343 HydrophobicContact CE2-CD2 3.86Å; F263-L343 HydrophobicContact CE2-CG 4.3Å; F263-L343 HydrophobicContact CZ-CD2 4.43Å
264Q48Very low48.4Very low95 Ų9577.1 Ų77.144%0.44440%0.4SS..Hα-helixtrans-67.1-37.7175.5-163.863.943.600112.5R260 G261 R262 V266 L267 N268R260-Q264 WeakPolarHBondContact O-CB 3.49Å; R260-Q264 PolarHBondContact O-N 2.97Å; G261-Q264 WeakPolarHBondContact O-CB 3.13Å; G261-Q264 PolarHBondContact O-N 3.25Å; R262-Q264 VanDerWaalsContact C-N 3.29Å; R262-Q264 PolarHBondContact O-N 3.36Å; Q264-V266 VanDerWaalsContact C-N 3.35Å; Q264-V266 PolarHBondContact O-N 3.03Å; Q264-L267 CarbonylContact O-C 3.54Å; Q264-L267 PolarHBondContact O-N 3.22Å; Q264-N268 PolarHBondContact NE2-OD1 3.23Å; Q264-N268 VanDerWaalsContact O-CB 3.29Å; Q264-N268 WeakPolarHBondContact O-CB 3.46Å; Q264-N268 PolarHBondContact O-N 2.96Å; Q264-N268 PolarHBondContact O-OD1 2.99Å
265T51Low48.6Very low79 Ų7981.3 Ų81.349%0.48542%0.421SS..Hα-helixtrans-61.3-42.6176.8-43.60000111.9G261 R262 N268 T269G261-T265 PolarHBondContact O-N 3.17Å; G261-T265 PolarHBondContact O-OG1 3.23Å; R262-T265 PolarHBondContact O-N 3.38Å; T265-N268 PolarHBondContact O-N 3.02Å; T265-T269 HydrophobicContact CG2-CG2 4.49Å; T265-T269 WeakPolarHBondContact O-CG2 3.38Å; T265-T269 PolarHBondContact O-N 2.91Å; T265-T269 PolarHBondContact O-OG1 3.41Å; T265-T269 VanDerWaalsContact O-OG1 3.09Å
266V52.3Low49.4Very low20 Ų2083.4 Ų83.412%0.12144%0.436CS..Hα-helixtrans-67.4-37.4176.2173.20000111.6R262 F263 Q264 N268 T269 S270 W274 W337R262-V266 PolarHBondContact O-N 3.41Å; R262-V266 VanDerWaalsContact O-N 3.09Å; F263-V266 PolarHBondContact O-N 3.24Å; Q264-V266 VanDerWaalsContact C-N 3.35Å; Q264-V266 PolarHBondContact O-N 3.03Å; V266-N268 VanDerWaalsContact C-N 3.28Å; V266-N268 PolarHBondContact O-N 3.19Å; V266-T269 PolarHBondContact O-OG1 3.48Å; V266-S270 PolarHBondContact O-OG 3.32Å; V266-S270 VanDerWaalsContact O-OG 3.06Å; V266-W274 HydrophobicContact CG1-CE3 4.44Å; V266-W274 HydrophobicContact CG1-CH2 3.38Å; V266-W274 HydrophobicContact CG1-CZ2 4.49Å; V266-W274 HydrophobicContact CG1-CZ3 3.35Å; V266-W337 HydrophobicContact CG2-CE3 4.26Å; V266-W337 HydrophobicContact CG2-CZ3 4.13Å
267L47.1Very low50.2Low21 Ų2179.2 Ų79.211%0.1142%0.423CS..Hα-helixtrans-67.2-27.4171.9-71.5175.6000113.2F263 Q264 W274 L275F263-L267 HydrophobicContact CD1-CD1 3.62Å; F263-L267 HydrophobicContact CD1-CG 4.35Å; F263-L267 HydrophobicContact CE1-CD1 3.36Å; F263-L267 HydrophobicContact CE1-CG 4.15Å; F263-L267 HydrophobicContact CZ-CD1 4.16Å; F263-L267 VanDerWaalsContact O-CG 3.3Å; F263-L267 WeakPolarHBondContact O-CG 3.38Å; F263-L267 PolarHBondContact O-N 2.89Å; F263-L267 VanDerWaalsContact O-N 3.08Å; Q264-L267 CarbonylContact O-C 3.54Å; Q264-L267 PolarHBondContact O-N 3.22Å; L267-W274 HydrophobicContact CD2-CB 4.08Å; L267-W274 HydrophobicContact CD2-CD2 4.22Å; L267-W274 HydrophobicContact CD2-CE3 4.25Å; L267-W274 HydrophobicContact CD2-CG 4.18Å; L267-L275 HydrophobicContact CD1-CD1 4.02Å; L267-L275 HydrophobicContact CD1-CG 4.35Å; L267-L275 HydrophobicContact CD2-CG 4.44Å
268N48.6Very low51.6Low110 Ų11083.7 Ų83.759%0.58844%0.444SS*.Hα-helixtrans-88.9-32.1-178.7-71.1-2.3000112.6Q264 T265 V266 S270Q264-N268 PolarHBondContact NE2-OD1 3.23Å; Q264-N268 VanDerWaalsContact O-CB 3.29Å; Q264-N268 WeakPolarHBondContact O-CB 3.46Å; Q264-N268 PolarHBondContact O-N 2.96Å; Q264-N268 PolarHBondContact O-OD1 2.99Å; T265-N268 PolarHBondContact O-N 3.02Å; V266-N268 VanDerWaalsContact C-N 3.28Å; V266-N268 PolarHBondContact O-N 3.19Å; N268-S270 PolarHBondContact O-N 2.74Å
269T50.3Low53.8Low116 Ų11680.8 Ų80.871%0.71243%0.431SS*.Hα-helixtrans-72.2-13.3177.248.50000113.1T265 V266T265-T269 HydrophobicContact CG2-CG2 4.49Å; T265-T269 WeakPolarHBondContact O-CG2 3.38Å; T265-T269 PolarHBondContact O-N 2.91Å; T265-T269 PolarHBondContact O-OG1 3.41Å; T265-T269 VanDerWaalsContact O-OG1 3.09Å; V266-T269 PolarHBondContact O-OG1 3.48Å
270S49.2Very low56Low22 Ų2278.1 Ų78.115%0.15442%0.417CS..SBendtrans-110.6127.5170580000108.7V266 N268 Q272 W274V266-S270 PolarHBondContact O-OG 3.32Å; V266-S270 VanDerWaalsContact O-OG 3.06Å; N268-S270 PolarHBondContact O-N 2.74Å; S270-Q272 PolarHBondContact O-N 2.84Å; S270-W274 WeakPolarHBondContact OG-CZ2 3.47Å; S270-W274 PolarHBondContact OG-NE1 3.29Å
271T43.9Very low58.4Low152 Ų15268.2 Ų68.293%0.93338%0.379SS*.SBendtrans-67.215-178.840.60000114.4
272Q49.9Very low60.7Low98 Ų9866.2 Ų66.246%0.45836%0.359SS..SBendtrans-124.6129.2-175.1-65.6-176.9-1.700110.1S270 W274 K313S270-Q272 PolarHBondContact O-N 2.84Å; Q272-W274 PolarHBondContact O-N 2.91Å; Q272-W274 PolarHBondContact O-NE1 3.08Å; Q272-W274 VanDerWaalsContact O-NE1 3.16Å; Q272-K313 VanDerWaalsContact OE1-CE 3.22Å
273S53.4Low63.1Low85 Ų8562.4 Ų62.459%0.59435%0.345SS*.  trans-71.691.7171.467.60000109.9L275 S276S273-L275 PolarHBondContact O-N 2.99Å; S273-S276 PolarHBondContact O-N 2.98Å; S273-S276 PolarHBondContact O-OG 2.98Å; S273-S276 PolarHBondContact OG-OG 2.92Å
274W57.7Low65.4Low7 Ų761 Ų613%0.02734%0.339CS..G310 helixtrans-67.4-24.5-173.7-51.2-12.6000113.7V266 L267 S270 Q272 S276 D277 M280 L315 V333 V335V266-W274 HydrophobicContact CG1-CE3 4.44Å; V266-W274 HydrophobicContact CG1-CH2 3.38Å; V266-W274 HydrophobicContact CG1-CZ2 4.49Å; V266-W274 HydrophobicContact CG1-CZ3 3.35Å; L267-W274 HydrophobicContact CD2-CB 4.08Å; L267-W274 HydrophobicContact CD2-CD2 4.22Å; L267-W274 HydrophobicContact CD2-CE3 4.25Å; L267-W274 HydrophobicContact CD2-CG 4.18Å; S270-W274 WeakPolarHBondContact OG-CZ2 3.47Å; S270-W274 PolarHBondContact OG-NE1 3.29Å; Q272-W274 PolarHBondContact O-N 2.91Å; Q272-W274 PolarHBondContact O-NE1 3.08Å; Q272-W274 VanDerWaalsContact O-NE1 3.16Å; W274-S276 PolarHBondContact O-N 3.04Å; W274-D277 WeakPolarHBondContact O-CB 3.3Å; W274-D277 PolarHBondContact O-N 3.28Å; W274-M280 HydrophobicContact CB-CE 4.46Å; W274-L315 HydrophobicContact CE3-CD1 4.46Å; W274-L315 HydrophobicContact CE3-CD2 4.37Å; W274-L315 HydrophobicContact CH2-CD1 3.91Å; W274-L315 HydrophobicContact CZ2-CD1 4.48Å; W274-L315 HydrophobicContact CZ3-CD1 3.89Å; W274-L315 HydrophobicContact CZ3-CD2 4.03Å; W274-V333 HydrophobicContact CZ2-CG1 3.92Å; W274-V335 HydrophobicContact CH2-CG1 4.37Å
275L55.5Low67.5Low98 Ų9856.6 Ų56.651%0.51332%0.319SS..G310 helixtrans-65.9-20.1-177.4-79.8179.7000113.9F263 L267 S273 D277F263-L275 HydrophobicContact CE1-CD1 3.83Å; F263-L275 HydrophobicContact CE1-CD2 4.14Å; F263-L275 HydrophobicContact CE1-CG 4.15Å; F263-L275 HydrophobicContact CZ-CD1 4.31Å; F263-L275 HydrophobicContact CZ-CD2 3.75Å; F263-L275 HydrophobicContact CZ-CG 4.14Å; L267-L275 HydrophobicContact CD1-CD1 4.02Å; L267-L275 HydrophobicContact CD1-CG 4.35Å; L267-L275 HydrophobicContact CD2-CG 4.44Å; S273-L275 PolarHBondContact O-N 2.99Å; L275-D277 VanDerWaalsContact C-N 3.34Å
276S61.2Low69.2Low80 Ų8053.6 Ų53.656%0.55930%0.304SS*.G310 helixtrans-79.6-18.2177.857.30000112.9S273 W274 K278S273-S276 PolarHBondContact O-N 2.98Å; S273-S276 PolarHBondContact O-OG 2.98Å; S273-S276 PolarHBondContact OG-OG 2.92Å; W274-S276 PolarHBondContact O-N 3.04Å; S276-K278 PolarHBondContact O-N 3.09Å
277D67.1Low70.6Confident54 Ų5453.7 Ų53.729%0.28931%0.305SS..  trans-72.7117.7-178.8-68.6-45.3000110.4W274 L275 N279 M280 K313 S348W274-D277 WeakPolarHBondContact O-CB 3.3Å; W274-D277 PolarHBondContact O-N 3.28Å; L275-D277 VanDerWaalsContact C-N 3.34Å; D277-N279 VanDerWaalsContact C-N 3.32Å; D277-N279 PolarHBondContact O-N 3.45Å; D277-M280 HydrophobicContact CB-CG 4.19Å; D277-K313 WeakPolarHBondContact OD2-CD 2.99Å; D277-K313 IonicContact OD2-NZ 2.99Å; D277-K313 PolarHBondContact OD2-NZ 3.35Å; D277-S348 WeakPolarHBondContact O-CB 2.86Å; D277-S348 PolarHBondContact O-OG 2.94Å
278K74.5Confident72.3Confident168 Ų16853.7 Ų53.773%0.7331%0.306SS*.SBendtrans-77.9-12.9-177-68.4-174.3179.5178.40114.4S276 K350S276-K278 PolarHBondContact O-N 3.09Å; K278-K350 WeakPolarHBondContact O-CE 3.49Å; K278-K350 PolarHBondContact O-NZ 2.89Å; K278-K350 VanDerWaalsContact O-NZ 3.14Å
279N88.1Confident74.3Confident63 Ų6348.6 Ų48.634%0.33728%0.279SS..SBendtrans-134.184.5-171-70.1-30.9000111.5D277 Y312 K313 K350D277-N279 VanDerWaalsContact C-N 3.32Å; D277-N279 PolarHBondContact O-N 3.45Å; N279-Y312 HydrophobicContact CB-CD1 3.7Å; N279-Y312 HydrophobicContact CB-CE1 3.85Å; N279-Y312 WeakPolarHBondContact O-CA 3.41Å; N279-K313 PolarHBondContact O-N 3.23Å; N279-K313 VanDerWaalsContact O-N 3.14Å; N279-K350 VanDerWaalsContact OD1-CE 3.27Å; N279-K350 WeakPolarHBondContact OD1-CE 3.33Å
280M92.2Very high76.1Confident6 Ų643.4 Ų43.43%0.0325%0.248CC..EExtended strand (participates in β ladder)trans-105.7145.4179.8-65.2-178.972.600112.1W274 D277 K313 S348 V349 K350W274-M280 HydrophobicContact CB-CE 4.46Å; D277-M280 HydrophobicContact CB-CG 4.19Å; M280-K313 WeakPolarHBondContact CA-O 3.4Å; M280-S348 PolarHBondContact N-O 3.29Å; M280-V349 HydrophobicContact CB-CG2 4.35Å; M280-K350 PolarHBondContact O-N 2.9Å
281I95.7Very high78Confident0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-117.6133.9165.3-60.3168.5000106.5L309 Y312 K313 V314 L315 I353 L414I281-L309 HydrophobicContact CD1-CD1 3.75Å; I281-Y312 HydrophobicContact CD1-CD1 3.96Å; I281-Y312 HydrophobicContact CD1-CD2 4.17Å; I281-Y312 HydrophobicContact CD1-CG 3.69Å; I281-Y312 HydrophobicContact CG1-CD1 3.88Å; I281-Y312 HydrophobicContact CG1-CG 4.11Å; I281-K313 PolarHBondContact N-O 3.03Å; I281-V314 HydrophobicContact CB-CG2 4.28Å; I281-V314 HydrophobicContact CD1-CG2 4.29Å; I281-V314 HydrophobicContact CG2-CG1 4.48Å; I281-V314 CarbonylContact O-C 3.46Å; I281-V314 WeakPolarHBondContact O-CA 3.35Å; I281-L315 PolarHBondContact O-N 3.4Å; I281-I353 HydrophobicContact CG2-CD1 3.86Å; I281-I353 HydrophobicContact CG2-CG1 4.09Å; I281-L414 HydrophobicContact CD1-CD1 3.47Å; I281-L414 VanDerWaalsContact CD1-CD1 3.47Å; I281-L414 HydrophobicContact CD1-CD2 3.92Å; I281-L414 HydrophobicContact CD1-CG 4.36Å; I281-L414 HydrophobicContact CG1-CD1 4.36Å; I281-L414 HydrophobicContact CG1-CD2 3.88Å
282I96.1Very high80.2Confident0 Ų038.1 Ų38.10%021%0.214CC..EExtended strand (participates in β ladder)trans-106.8131.8171.6-59.4175.8000107.6L315 I338 L340 L343 L344 V349 L351 L352 I353I282-L315 WeakPolarHBondContact CA-O 3.39Å; I282-I338 HydrophobicContact CG2-CD1 3.6Å; I282-L340 HydrophobicContact CD1-CD1 4.2Å; I282-L340 HydrophobicContact CG2-CD1 3.7Å; I282-L343 HydrophobicContact CD1-CB 3.57Å; I282-L343 HydrophobicContact CD1-CD1 4.29Å; I282-L344 HydrophobicContact CD1-CD2 4.38Å; I282-V349 HydrophobicContact CD1-CG1 3.96Å; I282-V349 HydrophobicContact CD1-CG2 3.73Å; I282-V349 HydrophobicContact CG1-CG1 4.11Å; I282-V349 HydrophobicContact CG1-CG2 4.26Å; I282-L351 PolarHBondContact N-O 3.29Å; I282-L352 HydrophobicContact CB-CD1 4Å; I282-L352 HydrophobicContact CG2-CD1 3.89Å; I282-L352 CarbonylContact O-C 3.56Å; I282-L352 WeakPolarHBondContact O-CA 3.36Å; I282-I353 PolarHBondContact O-N 3.46Å
283A97Very high82.1Confident0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-117.5118.4170.400000108.7F285 F306 L315 L316 Q317 I353A283-F285 HydrophobicContact CB-CE2 4.26Å; A283-F306 HydrophobicContact CB-CZ 4.41Å; A283-L315 PolarHBondContact N-O 3.23Å; A283-L316 HydrophobicContact CB-CD1 3.64Å; A283-Q317 PolarHBondContact O-N 3.16Å; A283-I353 CarbonylContact C-O 3.5Å; A283-I353 VanDerWaalsContact CA-O 3.26Å; A283-I353 WeakPolarHBondContact CA-O 3.43Å; A283-I353 HydrophobicContact CB-CB 3.99Å; A283-I353 HydrophobicContact CB-CD1 4.37Å
284S95.1Very high83.9Confident6 Ų634.5 Ų34.54%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-140.6122.8-178.1173.90000112Q317 I353 S354S284-Q317 PolarHBondContact OG-OE1 3.48Å; S284-I353 PolarHBondContact N-O 2.93Å; S284-S354 VanDerWaalsContact O-CA 3.24Å; S284-S354 WeakPolarHBondContact O-CA 2.95Å; S284-S354 WeakPolarHBondContact O-CB 3.08Å; S284-S354 PolarHBondContact O-OG 2.8Å
285F92.4Very high85.5Confident3 Ų335.1 Ų35.11%0.01319%0.189CC..  trans-108.915-175.1-59.7-85.8000113.7W71 A283 A289 F302 L316 Q317 M318 I353 H355 I374 L376W71-F285 HydrophobicContact CH2-CB 4.49Å; W71-F285 HydrophobicContact CH2-CD1 4.43Å; W71-F285 HydrophobicContact CH2-CG 4.34Å; A283-F285 HydrophobicContact CB-CE2 4.26Å; F285-A289 HydrophobicContact CB-CB 3.5Å; F285-A289 WeakPolarHBondContact O-CB 3.42Å; F285-F302 HydrophobicContact CE1-CZ 4.15Å; F285-F302 HydrophobicContact CE2-CE2 4.48Å; F285-F302 HydrophobicContact CE2-CZ 4.07Å; F285-F302 AromaticContact CZ-CE1 3.95Å; F285-F302 HydrophobicContact CZ-CE1 3.95Å; F285-F302 HydrophobicContact CZ-CE2 4.22Å; F285-F302 AromaticContact CZ-CZ 3.45Å; F285-F302 HydrophobicContact CZ-CZ 3.45Å; F285-F302 VanDerWaalsContact CZ-CZ 3.45Å; F285-L316 HydrophobicContact CD2-CD1 4.38Å; F285-L316 HydrophobicContact CE2-CD1 4Å; F285-Q317 PolarHBondContact N-O 2.89Å; F285-M318 HydrophobicContact CB-CG 4.42Å; F285-M318 HydrophobicContact CD2-CE 4.49Å; F285-M318 HydrophobicContact CD2-CG 3.85Å; F285-M318 HydrophobicContact CD2-SD 3.89Å; F285-M318 HydrophobicContact CE2-SD 4.44Å; F285-I353 HydrophobicContact CZ-CG2 4.01Å; F285-H355 VanDerWaalsContact C-CE1 3.5Å; F285-H355 VanDerWaalsContact CA-ND1 3.32Å; F285-H355 WeakPolarHBondContact CA-ND1 3.4Å; F285-H355 HydrophobicContact CD1-CB 4.26Å; F285-H355 PolarHBondContact O-ND1 2.91Å; F285-H355 VanDerWaalsContact O-ND1 3.08Å; F285-I374 HydrophobicContact CE1-CB 4.19Å; F285-I374 HydrophobicContact CE1-CD1 4.14Å; F285-I374 HydrophobicContact CZ-CD1 4.28Å; F285-L376 HydrophobicContact CD1-CD1 4.24Å
286G85.1Confident87.3Confident17 Ų1738.8 Ų38.818%0.17520%0.201CC..THydrogen-bonded Turntrans74.2-165.5173.900000113.9P319 H355G286-P319 VanDerWaalsContact O-CD 3.26Å; G286-P319 WeakPolarHBondContact O-CD 3.31Å; G286-H355 PolarHBondContact N-CE1 3.19Å; G286-H355 PolarHBondContact N-ND1 3.48Å
287T81.6Confident88.9Confident22 Ų2240.9 Ų40.914%0.13520%0.202CC..THydrogen-bonded Turntrans-81-31.4-173.7-61.60000113.8F36 M38 P319F36-T287 HydrophobicContact CB-CG2 4.47Å; F36-T287 HydrophobicContact CD1-CG2 4.01Å; F36-T287 HydrophobicContact CG-CG2 4.22Å; M38-T287 HydrophobicContact SD-CG2 3.38Å; M38-T287 WeakPolarHBondContact SD-CG2 3.31Å; T287-P319 WeakPolarHBondContact O-CG 3.4Å
288C84.5Confident90.2Very high21 Ų2138.6 Ų38.614%0.14219%0.19CC..THydrogen-bonded Turntrans-86.8-18.3-174.6-60.40000113.4M63 Q67 S290M63-C288 HydrophobicContact CE-CB 4.26Å; Q67-C288 VanDerWaalsContact CG-O 3.27Å; Q67-C288 WeakPolarHBondContact CG-O 3.26Å; C288-S290 PolarHBondContact O-N 3.33Å; C288-S290 VanDerWaalsContact O-N 3.11Å
289A89.2Confident91.2Very high2 Ų231.3 Ų31.32%0.01716%0.159CC..  trans-88.474.8-177.200000111.8I70 W71 F285 M318 L376I70-A289 HydrophobicContact CD1-CB 4.16Å; W71-A289 HydrophobicContact CH2-CB 4.06Å; W71-A289 HydrophobicContact CZ2-CB 3.67Å; F285-A289 HydrophobicContact CB-CB 3.5Å; F285-A289 WeakPolarHBondContact O-CB 3.42Å; A289-M318 WeakPolarHBondContact O-CE 3.43Å; A289-L376 HydrophobicContact CB-CD1 3.78Å
290S88.5Confident91.6Very high8 Ų832.7 Ų32.76%0.05617%0.166CC..  trans-69.1135.1178.9-179.30000112.4C288 T292 R293 P319C288-S290 PolarHBondContact O-N 3.33Å; C288-S290 VanDerWaalsContact O-N 3.11Å; S290-T292 PolarHBondContact O-N 3.09Å; S290-T292 PolarHBondContact OG-N 3.25Å; S290-T292 PolarHBondContact OG-OG1 2.87Å; S290-R293 PolarHBondContact O-N 3.36Å; S290-P319 WeakPolarHBondContact CA-O 3.19Å; S290-P319 PolarHBondContact OG-O 3.48Å
291A89.6Confident91.8Very high0 Ų032.8 Ų32.80%017%0.168CC..G310 helixtrans-68.2-20.9174.300000112.9R293 L294 M318 P319 I321A291-R293 PolarHBondContact O-N 3.09Å; A291-L294 WeakPolarHBondContact O-CB 3.33Å; A291-L294 PolarHBondContact O-N 3.18Å; A291-M318 HydrophobicContact CB-CB 4.1Å; A291-M318 HydrophobicContact CB-CE 4.1Å; A291-M318 HydrophobicContact CB-SD 4.34Å; A291-P319 PolarHBondContact N-O 2.85Å; A291-I321 HydrophobicContact CB-CB 4.18Å; A291-I321 HydrophobicContact CB-CD1 3.57Å; A291-I321 HydrophobicContact CB-CG1 4.46Å
292T89.2Confident91.9Very high63 Ų6332.8 Ų32.839%0.38717%0.168SC..G310 helixtrans-62.8-26.9175.862.90000112.5S290 V323S290-T292 PolarHBondContact O-N 3.09Å; S290-T292 PolarHBondContact OG-N 3.25Å; S290-T292 PolarHBondContact OG-OG1 2.87Å; T292-V323 HydrophobicContact CG2-CG1 4.08Å; T292-V323 HydrophobicContact CG2-CG2 4.12Å
293R90.2Very high92Very high99 Ų9934.5 Ų34.537%0.37418%0.176SC..G310 helixtrans-104.66.3-179.1-59.6-59.4-171.9170.4-0.6113.5Q67 A68 S290 A291 P295Q67-R293 HydrophobicContact CB-CG 4.36Å; A68-R293 HydrophobicContact CB-CB 4.31Å; A68-R293 HydrophobicContact CB-CG 4.38Å; S290-R293 PolarHBondContact O-N 3.36Å; A291-R293 PolarHBondContact O-N 3.09Å; R293-P295 VanDerWaalsContact O-CD 3.3Å; R293-P295 WeakPolarHBondContact O-CD 3.32Å
294L90.9Very high92Very high7 Ų737.4 Ų37.44%0.03719%0.194CC..  trans-65.1120.7-178.9-165.368.3000110.5W71 A291 V298 L299 F302 M318W71-L294 HydrophobicContact CD2-CD1 3.74Å; W71-L294 HydrophobicContact CE3-CD1 3.68Å; W71-L294 HydrophobicContact CH2-CD1 3.51Å; W71-L294 HydrophobicContact CZ2-CD1 3.55Å; W71-L294 HydrophobicContact CZ3-CD1 3.57Å; A291-L294 WeakPolarHBondContact O-CB 3.33Å; A291-L294 PolarHBondContact O-N 3.18Å; L294-V298 HydrophobicContact CD1-CB 4.09Å; L294-V298 HydrophobicContact CD1-CG1 3.62Å; L294-V298 HydrophobicContact CG-CB 4.33Å; L294-V298 HydrophobicContact CG-CG1 4.25Å; L294-L299 HydrophobicContact CD2-CB 3.83Å; L294-L299 HydrophobicContact CD2-CD1 3.99Å; L294-L299 HydrophobicContact CD2-CG 4.49Å; L294-L299 HydrophobicContact CG-CB 4.31Å; L294-F302 HydrophobicContact CD2-CD2 4.47Å; L294-M318 HydrophobicContact CD1-CE 4.31Å
295P92.7Very high92.1Very high21 Ų2137.1 Ų37.114%0.13619%0.192CC..  trans-61.8144.4176.9-23.434.2000111.5W71 Y72 R293 Q297 V298 L299W71-P295 HydrophobicContact CB-CG 3.65Å; W71-P295 HydrophobicContact CG-CG 4.32Å; Y72-P295 HydrophobicContact CE2-CG 4.29Å; R293-P295 VanDerWaalsContact O-CD 3.3Å; R293-P295 WeakPolarHBondContact O-CD 3.32Å; P295-Q297 PolarHBondContact O-N 2.99Å; P295-Q297 VanDerWaalsContact O-N 3.16Å; P295-V298 HydrophobicContact CB-CG2 4.25Å; P295-V298 HydrophobicContact CG-CG2 4.28Å; P295-V298 PolarHBondContact O-N 3.39Å; P295-L299 PolarHBondContact O-N 3.22Å
296K92.9Very high92.3Very high175 Ų17537 Ų3776%0.76119%0.191SC*.Hα-helixtrans-53-39.5-179.6-71.6-175.7178.2179.90112.7V298 L299 N300K296-V298 PolarHBondContact O-N 2.7Å; K296-L299 PolarHBondContact O-N 3.3Å; K296-N300 WeakPolarHBondContact O-CB 3.47Å; K296-N300 PolarHBondContact O-N 2.8Å; K296-N300 PolarHBondContact O-ND2 3.28Å; K296-N300 PolarHBondContact O-OD1 3.02Å
297Q93.8Very high92.8Very high123 Ų12338.4 Ų38.458%0.57520%0.199SC*.Hα-helixtrans-60.7-44.5177.3-179.5-175-6.900112.6P295 S301P295-Q297 PolarHBondContact O-N 2.99Å; P295-Q297 VanDerWaalsContact O-N 3.16Å; Q297-S301 WeakPolarHBondContact O-CB 3.45Å; Q297-S301 PolarHBondContact O-N 3.42Å; Q297-S301 PolarHBondContact O-OG 3.24Å
298V94.7Very high93.4Very high7 Ų742 Ų424%0.04221%0.214CC..Hα-helixtrans-69.1-44.9-179.9179.50000110W71 L294 P295 K296 N300 S301 F302 I398 L401W71-V298 HydrophobicContact CE3-CG1 4.3Å; W71-V298 HydrophobicContact CZ3-CG1 4.33Å; L294-V298 HydrophobicContact CD1-CB 4.09Å; L294-V298 HydrophobicContact CD1-CG1 3.62Å; L294-V298 HydrophobicContact CG-CB 4.33Å; L294-V298 HydrophobicContact CG-CG1 4.25Å; P295-V298 HydrophobicContact CB-CG2 4.25Å; P295-V298 HydrophobicContact CG-CG2 4.28Å; P295-V298 PolarHBondContact O-N 3.39Å; K296-V298 PolarHBondContact O-N 2.7Å; V298-N300 PolarHBondContact O-N 2.85Å; V298-S301 WeakPolarHBondContact O-CB 3.24Å; V298-S301 PolarHBondContact O-N 2.7Å; V298-F302 HydrophobicContact CG1-CD2 3.88Å; V298-F302 HydrophobicContact CG1-CE2 3.47Å; V298-F302 VanDerWaalsContact CG1-CE2 3.47Å; V298-F302 HydrophobicContact CG1-CZ 4.31Å; V298-F302 WeakPolarHBondContact O-CD2 3.38Å; V298-F302 PolarHBondContact O-N 3.4Å; V298-I398 HydrophobicContact CG1-CD1 4.09Å; V298-I398 HydrophobicContact CG2-CD1 3.95Å; V298-L401 HydrophobicContact CG1-CD1 4.36Å; V298-L401 HydrophobicContact CG1-CD2 4.36Å
299L95.2Very high93.7Very high15 Ų1541.3 Ų41.38%0.07921%0.209CC..Hα-helixtrans-54.8-53.4174.1176.460.8000111.6L294 P295 K296 S301 F302 I303 W328L294-L299 HydrophobicContact CD2-CB 3.83Å; L294-L299 HydrophobicContact CD2-CD1 3.99Å; L294-L299 HydrophobicContact CD2-CG 4.49Å; L294-L299 HydrophobicContact CG-CB 4.31Å; P295-L299 PolarHBondContact O-N 3.22Å; K296-L299 PolarHBondContact O-N 3.3Å; L299-S301 PolarHBondContact O-N 3.1Å; L299-F302 PolarHBondContact O-N 3.05Å; L299-F302 VanDerWaalsContact O-N 3.16Å; L299-I303 HydrophobicContact CD1-CD1 3.79Å; L299-I303 HydrophobicContact CD1-CG1 4.19Å; L299-I303 HydrophobicContact CG-CD1 3.77Å; L299-I303 WeakPolarHBondContact O-CG1 2.91Å; L299-I303 PolarHBondContact O-N 3.41Å; L299-W328 HydrophobicContact CD1-CH2 3.34Å; L299-W328 HydrophobicContact CD1-CZ2 3.68Å; L299-W328 HydrophobicContact CD1-CZ3 3.89Å
300N96.6Very high93.7Very high91 Ų9149.7 Ų49.749%0.48725%0.245SC..Hα-helixtrans-61.6-34.6-179.7-71.3-9.1000112K296 V298 T304K296-N300 WeakPolarHBondContact O-CB 3.47Å; K296-N300 PolarHBondContact O-N 2.8Å; K296-N300 PolarHBondContact O-ND2 3.28Å; K296-N300 PolarHBondContact O-OD1 3.02Å; V298-N300 PolarHBondContact O-N 2.85Å; N300-T304 VanDerWaalsContact O-CB 3.24Å; N300-T304 WeakPolarHBondContact O-CB 3.31Å; N300-T304 PolarHBondContact O-N 3.3Å; N300-T304 PolarHBondContact O-OG1 3.47Å
301S97.6Very high93.6Very high9 Ų952.7 Ų52.76%0.06326%0.258CS..Hα-helixtrans-66.7-42.6176.3-63.20000112.2Q297 V298 L299 A305 A403Q297-S301 WeakPolarHBondContact O-CB 3.45Å; Q297-S301 PolarHBondContact O-N 3.42Å; Q297-S301 PolarHBondContact O-OG 3.24Å; V298-S301 WeakPolarHBondContact O-CB 3.24Å; V298-S301 PolarHBondContact O-N 2.7Å; L299-S301 PolarHBondContact O-N 3.1Å; S301-A305 VanDerWaalsContact O-CB 3.25Å; S301-A305 WeakPolarHBondContact O-CB 3.32Å; S301-A305 PolarHBondContact O-N 2.68Å; S301-A403 PolarHBondContact OG-N 3.13Å
302F97.1Very high93.8Very high0 Ų052.9 Ų52.90%026%0.259CS..Hα-helixtrans-64.2-48.5173.1-74.1-52.1000112.1F285 L294 V298 L299 T304 A305 F306 W328 I374 L401 L406F285-F302 HydrophobicContact CE1-CZ 4.15Å; F285-F302 HydrophobicContact CE2-CE2 4.48Å; F285-F302 HydrophobicContact CE2-CZ 4.07Å; F285-F302 AromaticContact CZ-CE1 3.95Å; F285-F302 HydrophobicContact CZ-CE1 3.95Å; F285-F302 HydrophobicContact CZ-CE2 4.22Å; F285-F302 AromaticContact CZ-CZ 3.45Å; F285-F302 HydrophobicContact CZ-CZ 3.45Å; F285-F302 VanDerWaalsContact CZ-CZ 3.45Å; L294-F302 HydrophobicContact CD2-CD2 4.47Å; V298-F302 HydrophobicContact CG1-CD2 3.88Å; V298-F302 HydrophobicContact CG1-CE2 3.47Å; V298-F302 VanDerWaalsContact CG1-CE2 3.47Å; V298-F302 HydrophobicContact CG1-CZ 4.31Å; V298-F302 WeakPolarHBondContact O-CD2 3.38Å; V298-F302 PolarHBondContact O-N 3.4Å; L299-F302 PolarHBondContact O-N 3.05Å; L299-F302 VanDerWaalsContact O-N 3.16Å; F302-T304 VanDerWaalsContact C-N 3.34Å; F302-T304 PolarHBondContact O-N 3.5Å; F302-A305 PolarHBondContact O-N 2.95Å; F302-F306 HydrophobicContact CB-CD2 4.23Å; F302-F306 HydrophobicContact CB-CE2 3.92Å; F302-F306 HydrophobicContact CB-CZ 4.43Å; F302-F306 HydrophobicContact CD1-CE1 4.28Å; F302-F306 AromaticContact CD1-CE2 3.9Å; F302-F306 HydrophobicContact CD1-CE2 3.9Å; F302-F306 AromaticContact CD1-CZ 3.58Å; F302-F306 HydrophobicContact CD1-CZ 3.58Å; F302-F306 HydrophobicContact CE1-CZ 4.26Å; F302-F306 HydrophobicContact CG-CE2 4.19Å; F302-F306 HydrophobicContact CG-CZ 4.34Å; F302-F306 VanDerWaalsContact O-CB 3.29Å; F302-F306 WeakPolarHBondContact O-CB 3.36Å; F302-F306 WeakPolarHBondContact O-CD2 3.27Å; F302-F306 WeakPolarHBondContact O-CG 3.33Å; F302-F306 PolarHBondContact O-N 3.1Å; F302-W328 HydrophobicContact CB-CZ3 4.01Å; F302-I374 HydrophobicContact CE1-CD1 4.01Å; F302-I374 HydrophobicContact CZ-CD1 4.07Å; F302-L401 HydrophobicContact CZ-CD1 4.23Å; F302-L406 HydrophobicContact CD1-CD2 3.49Å; F302-L406 VanDerWaalsContact CD1-CD2 3.49Å; F302-L406 HydrophobicContact CE1-CD2 3.83Å; F302-L406 HydrophobicContact CG-CD2 4.47Å
303I97.5Very high93.9Very high36 Ų3651.1 Ų51.119%0.18525%0.246CC..Hα-helixtrans-55.7-50.2178.5-69.3168.8000110.6L299 S307 T327 W328 P329L299-I303 HydrophobicContact CD1-CD1 3.79Å; L299-I303 HydrophobicContact CD1-CG1 4.19Å; L299-I303 HydrophobicContact CG-CD1 3.77Å; L299-I303 WeakPolarHBondContact O-CG1 2.91Å; L299-I303 PolarHBondContact O-N 3.41Å; I303-S307 WeakPolarHBondContact O-CB 3.18Å; I303-S307 PolarHBondContact O-N 2.79Å; I303-S307 PolarHBondContact O-OG 2.84Å; I303-T327 WeakPolarHBondContact CD1-O 3.16Å; I303-W328 HydrophobicContact CG1-CE3 3.9Å; I303-W328 HydrophobicContact CG1-CZ3 3.94Å; I303-P329 HydrophobicContact CG2-CG 4.11Å; I303-P329 WeakPolarHBondContact O-CG 3.49Å
304T97.8Very high94.1Very high60 Ų6046.4 Ų46.437%0.36823%0.228SC..Hα-helixtrans-67-41.2-177.2-55.70000112N300 F302 S307 Q308 A403N300-T304 VanDerWaalsContact O-CB 3.24Å; N300-T304 WeakPolarHBondContact O-CB 3.31Å; N300-T304 PolarHBondContact O-N 3.3Å; N300-T304 PolarHBondContact O-OG1 3.47Å; F302-T304 VanDerWaalsContact C-N 3.34Å; F302-T304 PolarHBondContact O-N 3.5Å; T304-S307 PolarHBondContact O-OG 3.18Å; T304-Q308 WeakPolarHBondContact O-CG 3.27Å; T304-A403 HydrophobicContact CG2-CB 3.68Å
305A97.2Very high94.3Very high0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-71.3-40.2179.500000112.1S301 F302 Q308 L406 S407 L410S301-A305 VanDerWaalsContact O-CB 3.25Å; S301-A305 WeakPolarHBondContact O-CB 3.32Å; S301-A305 PolarHBondContact O-N 2.68Å; F302-A305 PolarHBondContact O-N 2.95Å; A305-Q308 PolarHBondContact O-N 3.5Å; A305-L406 HydrophobicContact CB-CB 4.11Å; A305-L406 HydrophobicContact CB-CD2 3.55Å; A305-L406 HydrophobicContact CB-CG 3.67Å; A305-S407 WeakPolarHBondContact CA-OG 3.22Å; A305-S407 WeakPolarHBondContact CB-OG 3.29Å; A305-L410 HydrophobicContact CB-CD1 4.36Å
306F96.7Very high94.4Very high0 Ų045.2 Ų45.20%022%0.221CC..Hα-helixtrans-73.5-31.7-178.9-62.9-19.6000112.9A283 F302 Q308 L309 V314 N331 V332 I353 L410A283-F306 HydrophobicContact CB-CZ 4.41Å; F302-F306 HydrophobicContact CB-CD2 4.23Å; F302-F306 HydrophobicContact CB-CE2 3.92Å; F302-F306 HydrophobicContact CB-CZ 4.43Å; F302-F306 HydrophobicContact CD1-CE1 4.28Å; F302-F306 AromaticContact CD1-CE2 3.9Å; F302-F306 HydrophobicContact CD1-CE2 3.9Å; F302-F306 AromaticContact CD1-CZ 3.58Å; F302-F306 HydrophobicContact CD1-CZ 3.58Å; F302-F306 HydrophobicContact CE1-CZ 4.26Å; F302-F306 HydrophobicContact CG-CE2 4.19Å; F302-F306 HydrophobicContact CG-CZ 4.34Å; F302-F306 VanDerWaalsContact O-CB 3.29Å; F302-F306 WeakPolarHBondContact O-CB 3.36Å; F302-F306 WeakPolarHBondContact O-CD2 3.27Å; F302-F306 WeakPolarHBondContact O-CG 3.33Å; F302-F306 PolarHBondContact O-N 3.1Å; F306-Q308 PolarHBondContact O-N 3.47Å; F306-L309 HydrophobicContact CD1-CD1 4.47Å; F306-L309 PolarHBondContact O-N 2.96Å; F306-V314 HydrophobicContact CB-CG2 4.4Å; F306-V314 HydrophobicContact CD1-CG1 4.46Å; F306-V314 HydrophobicContact CD1-CG2 4.39Å; F306-V314 HydrophobicContact CD2-CG1 4.07Å; F306-V314 HydrophobicContact CE1-CG1 4.41Å; F306-V314 HydrophobicContact CE2-CG1 4.01Å; F306-V314 HydrophobicContact CG-CG1 4.31Å; F306-V314 HydrophobicContact CG-CG2 4.3Å; F306-V314 HydrophobicContact CZ-CG1 4.18Å; F306-N331 PolarHBondContact O-ND2 3.02Å; F306-N331 PolarHBondContact O-OD1 3.23Å; F306-V332 HydrophobicContact CB-CG2 3.7Å; F306-V332 HydrophobicContact CD2-CG2 4Å; F306-V332 HydrophobicContact CG-CG2 4.26Å; F306-I353 HydrophobicContact CE1-CD1 3.65Å; F306-I353 HydrophobicContact CZ-CD1 3.91Å; F306-L410 HydrophobicContact CD1-CD1 4.29Å; F306-L410 HydrophobicContact CE1-CD1 4.13Å
307S95.6Very high94.3Very high47 Ų4737.6 Ų37.633%0.32919%0.188SC..Hα-helixtrans-64.2-23.1175.370.20000113.4I303 T304 L309 K310I303-S307 WeakPolarHBondContact O-CB 3.18Å; I303-S307 PolarHBondContact O-N 2.79Å; I303-S307 PolarHBondContact O-OG 2.84Å; T304-S307 PolarHBondContact O-OG 3.18Å; S307-L309 VanDerWaalsContact C-N 3.27Å; S307-L309 PolarHBondContact O-N 3.35Å; S307-K310 WeakPolarHBondContact O-CG 3.45Å
308Q93.1Very high94.2Very high97 Ų9731.8 Ų31.845%0.45316%0.16SC..THydrogen-bonded Turntrans-77.5-10.4174.6-6517311.300113.1T304 A305 F306 S407T304-Q308 WeakPolarHBondContact O-CG 3.27Å; A305-Q308 PolarHBondContact O-N 3.5Å; F306-Q308 PolarHBondContact O-N 3.47Å; Q308-S407 PolarHBondContact OE1-OG 3.2Å
309L91.1Very high93.9Very high8 Ų832.2 Ų32.24%0.04216%0.164CC..  trans-104.947.6-174.4-61.6178.1000112.1I281 F306 S307 Q311 Y312 N331 L410 L414I281-L309 HydrophobicContact CD1-CD1 3.75Å; F306-L309 HydrophobicContact CD1-CD1 4.47Å; F306-L309 PolarHBondContact O-N 2.96Å; S307-L309 VanDerWaalsContact C-N 3.27Å; S307-L309 PolarHBondContact O-N 3.35Å; L309-Q311 PolarHBondContact O-N 3.39Å; L309-Q311 VanDerWaalsContact O-N 3.09Å; L309-Y312 HydrophobicContact CB-CD2 4.16Å; L309-Y312 HydrophobicContact CD2-CD2 4.29Å; L309-Y312 WeakPolarHBondContact O-CA 3.04Å; L309-Y312 PolarHBondContact O-N 3.02Å; L309-N331 PolarHBondContact O-ND2 3.36Å; L309-L410 HydrophobicContact CD1-CB 4.43Å; L309-L410 HydrophobicContact CD1-CD1 3.83Å; L309-L414 HydrophobicContact CD1-CD1 4.1Å; L309-L414 HydrophobicContact CD2-CD1 4.2Å
310K89Confident93.6Very high177 Ų17731.9 Ų31.977%0.7716%0.164SC*.THydrogen-bonded Turntrans-59.2-24.9-173.9-62.5-174.7178.6-179.40114.4S307 Y312S307-K310 WeakPolarHBondContact O-CG 3.45Å; K310-Y312 PolarHBondContact O-N 2.89Å
311Q88.2Confident93.3Very high72 Ų7227.7 Ų27.734%0.33614%0.141SC..THydrogen-bonded Turntrans-78.5-4.4174.969.7-73.4-7.800114.2L309 M416L309-Q311 PolarHBondContact O-N 3.39Å; L309-Q311 VanDerWaalsContact O-N 3.09Å; Q311-M416 PolarHBondContact NE2-SD 3.5Å
312Y91.9Very high92.8Very high4 Ų431.8 Ų31.82%0.01616%0.159CC..SBendtrans-120.9141.1177.8-67.8-82.2000110.8N279 I281 L309 K310 N331 K350 L414 P415 M416N279-Y312 HydrophobicContact CB-CD1 3.7Å; N279-Y312 HydrophobicContact CB-CE1 3.85Å; N279-Y312 WeakPolarHBondContact O-CA 3.41Å; I281-Y312 HydrophobicContact CD1-CD1 3.96Å; I281-Y312 HydrophobicContact CD1-CD2 4.17Å; I281-Y312 HydrophobicContact CD1-CG 3.69Å; I281-Y312 HydrophobicContact CG1-CD1 3.88Å; I281-Y312 HydrophobicContact CG1-CG 4.11Å; L309-Y312 HydrophobicContact CB-CD2 4.16Å; L309-Y312 HydrophobicContact CD2-CD2 4.29Å; L309-Y312 WeakPolarHBondContact O-CA 3.04Å; L309-Y312 PolarHBondContact O-N 3.02Å; K310-Y312 PolarHBondContact O-N 2.89Å; Y312-N331 PolarHBondContact O-ND2 3.5Å; Y312-K350 HydrophobicContact CE1-CB 4.21Å; Y312-K350 HydrophobicContact CE1-CG 4.02Å; Y312-L414 HydrophobicContact CD2-CD1 4.38Å; Y312-L414 HydrophobicContact CE1-CD2 3.96Å; Y312-L414 HydrophobicContact CE2-CB 4.19Å; Y312-L414 HydrophobicContact CE2-CD1 4.1Å; Y312-P415 VanDerWaalsContact OH-C 3.23Å; Y312-P415 WeakPolarHBondContact OH-CD 3.47Å; Y312-P415 PolarHBondContact OH-O 2.94Å; Y312-M416 HydrophobicContact CE2-SD 3.95Å
313K92.5Very high92.4Very high26 Ų2635.2 Ų35.211%0.11318%0.18CC..EExtended strand (participates in β ladder)trans-89.8127.5162.5-165.9167.6-174.4174.20109.6Q272 D277 N279 M280 I281 N331 V333Q272-K313 VanDerWaalsContact OE1-CE 3.22Å; D277-K313 WeakPolarHBondContact OD2-CD 2.99Å; D277-K313 IonicContact OD2-NZ 2.99Å; D277-K313 PolarHBondContact OD2-NZ 3.35Å; N279-K313 PolarHBondContact O-N 3.23Å; N279-K313 VanDerWaalsContact O-N 3.14Å; M280-K313 WeakPolarHBondContact CA-O 3.4Å; I281-K313 PolarHBondContact N-O 3.03Å; K313-N331 WeakPolarHBondContact CA-O 3.36Å; K313-V333 VanDerWaalsContact CE-CG2 3.47Å; K313-V333 HydrophobicContact CG-CG2 4.43Å
314V94.4Very high92Very high0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-105113.9179.4-175.50000108.8I281 F306 N331 V332 V333I281-V314 HydrophobicContact CB-CG2 4.28Å; I281-V314 HydrophobicContact CD1-CG2 4.29Å; I281-V314 HydrophobicContact CG2-CG1 4.48Å; I281-V314 CarbonylContact O-C 3.46Å; I281-V314 WeakPolarHBondContact O-CA 3.35Å; F306-V314 HydrophobicContact CB-CG2 4.4Å; F306-V314 HydrophobicContact CD1-CG1 4.46Å; F306-V314 HydrophobicContact CD1-CG2 4.39Å; F306-V314 HydrophobicContact CD2-CG1 4.07Å; F306-V314 HydrophobicContact CE1-CG1 4.41Å; F306-V314 HydrophobicContact CE2-CG1 4.01Å; F306-V314 HydrophobicContact CG-CG1 4.31Å; F306-V314 HydrophobicContact CG-CG2 4.3Å; F306-V314 HydrophobicContact CZ-CG1 4.18Å; V314-N331 PolarHBondContact N-O 3.46Å; V314-V332 HydrophobicContact CB-CG2 4.1Å; V314-V332 CarbonylContact O-C 3.59Å; V314-V332 WeakPolarHBondContact O-CA 3.33Å; V314-V333 PolarHBondContact O-N 3.08Å
315L93.9Very high91.3Very high3 Ų338.4 Ų38.42%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-90.1105.5171.2-174.563.3000108.6W274 I281 I282 A283 V333 V335 I338 L343W274-L315 HydrophobicContact CE3-CD1 4.46Å; W274-L315 HydrophobicContact CE3-CD2 4.37Å; W274-L315 HydrophobicContact CH2-CD1 3.91Å; W274-L315 HydrophobicContact CZ2-CD1 4.48Å; W274-L315 HydrophobicContact CZ3-CD1 3.89Å; W274-L315 HydrophobicContact CZ3-CD2 4.03Å; I281-L315 PolarHBondContact O-N 3.4Å; I282-L315 WeakPolarHBondContact CA-O 3.39Å; A283-L315 PolarHBondContact N-O 3.23Å; L315-V333 HydrophobicContact CD1-CB 4.08Å; L315-V333 HydrophobicContact CD1-CG1 3.97Å; L315-V335 HydrophobicContact CD1-CG2 3.67Å; L315-V335 HydrophobicContact CG-CG2 4.32Å; L315-I338 HydrophobicContact CD1-CG2 4.32Å; L315-I338 HydrophobicContact CD2-CB 4.42Å; L315-I338 HydrophobicContact CD2-CD1 4.12Å; L315-I338 HydrophobicContact CD2-CG2 3.82Å; L315-I338 HydrophobicContact CG-CG2 4.07Å; L315-L343 HydrophobicContact CD2-CD1 3.53Å
316L94.9Very high90.7Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-100112.6-178.3176.360.9000110.2A283 F285 M318 I321 W328 V332 V333 A334 V335A283-L316 HydrophobicContact CB-CD1 3.64Å; F285-L316 HydrophobicContact CD2-CD1 4.38Å; F285-L316 HydrophobicContact CE2-CD1 4Å; L316-M318 HydrophobicContact CD1-CG 4.23Å; L316-M318 HydrophobicContact CD1-SD 4.23Å; L316-I321 HydrophobicContact CD2-CD1 4.2Å; L316-W328 HydrophobicContact CD2-CD2 4.01Å; L316-W328 HydrophobicContact CD2-CE3 3.86Å; L316-W328 HydrophobicContact CD2-CH2 3.34Å; L316-W328 HydrophobicContact CD2-CZ2 3.5Å; L316-W328 VanDerWaalsContact CD2-CZ2 3.5Å; L316-W328 HydrophobicContact CD2-CZ3 3.53Å; L316-V332 HydrophobicContact CB-CG1 4Å; L316-V332 HydrophobicContact CD2-CG1 4.42Å; L316-V333 PolarHBondContact N-O 3.12Å; L316-A334 WeakPolarHBondContact O-CA 3.14Å; L316-V335 PolarHBondContact O-N 3.41Å
317Q92.4Very high90.4Very high15 Ų1549.1 Ų49.17%0.0725%0.249CC..EExtended strand (participates in β ladder)trans-107.4120.2177.2-176.2-84-37.500112.2A283 S284 F285 V335 Q336 I338A283-Q317 PolarHBondContact O-N 3.16Å; S284-Q317 PolarHBondContact OG-OE1 3.48Å; F285-Q317 PolarHBondContact N-O 2.89Å; Q317-V335 VanDerWaalsContact CA-O 3.26Å; Q317-V335 WeakPolarHBondContact CA-O 3.39Å; Q317-V335 HydrophobicContact CB-CG2 4.43Å; Q317-Q336 WeakPolarHBondContact CG-O 3.29Å; Q317-Q336 PolarHBondContact NE2-O 3.39Å; Q317-I338 HydrophobicContact CB-CD1 3.82Å; Q317-I338 HydrophobicContact CB-CG1 3.98Å; Q317-I338 HydrophobicContact CB-CG2 4.09Å; Q317-I338 HydrophobicContact CG-CD1 4.4Å; Q317-I338 HydrophobicContact CG-CG1 4Å; Q317-I338 HydrophobicContact CG-CG2 4.24Å
318M91.2Very high90.3Very high0 Ų048.2 Ų48.20%024%0.239CC..  trans-152.2144.2171.5-62-179.366.800110.6W71 F285 A289 A291 L294 L316 I321 V335 Q336W71-M318 HydrophobicContact CH2-CE 3.52Å; W71-M318 HydrophobicContact CZ2-CE 3.33Å; F285-M318 HydrophobicContact CB-CG 4.42Å; F285-M318 HydrophobicContact CD2-CE 4.49Å; F285-M318 HydrophobicContact CD2-CG 3.85Å; F285-M318 HydrophobicContact CD2-SD 3.89Å; F285-M318 HydrophobicContact CE2-SD 4.44Å; A289-M318 WeakPolarHBondContact O-CE 3.43Å; A291-M318 HydrophobicContact CB-CB 4.1Å; A291-M318 HydrophobicContact CB-CE 4.1Å; A291-M318 HydrophobicContact CB-SD 4.34Å; L294-M318 HydrophobicContact CD1-CE 4.31Å; L316-M318 HydrophobicContact CD1-CG 4.23Å; L316-M318 HydrophobicContact CD1-SD 4.23Å; M318-I321 HydrophobicContact CB-CB 4.36Å; M318-I321 HydrophobicContact CB-CD1 4.19Å; M318-I321 WeakPolarHBondContact O-CB 3.38Å; M318-I321 WeakPolarHBondContact O-CG2 3.29Å; M318-I321 PolarHBondContact O-N 3.36Å; M318-I321 HydrophobicContact SD-CD1 4.32Å; M318-V335 PolarHBondContact N-O 3.16Å; M318-Q336 WeakPolarHBondContact O-CA 3.38Å
319P88.2Confident90.4Very high17 Ų1744.6 Ų44.611%0.1122%0.223CC..THydrogen-bonded Turntrans-58.7142.1167.4-22.834.2000111.5G286 T287 S290 A291 I321G286-P319 VanDerWaalsContact O-CD 3.26Å; G286-P319 WeakPolarHBondContact O-CD 3.31Å; T287-P319 WeakPolarHBondContact O-CG 3.4Å; S290-P319 WeakPolarHBondContact CA-O 3.19Å; S290-P319 PolarHBondContact OG-O 3.48Å; A291-P319 PolarHBondContact N-O 2.85Å; P319-I321 PolarHBondContact O-N 2.96Å
320G88.7Confident90.5Very high8 Ų850.4 Ų50.48%0.08227%0.265CS..THydrogen-bonded Turntrans70.416.1176.400000114.7E322 V323G320-E322 WeakPolarHBondContact CA-OE1 3.48Å; G320-E322 VanDerWaalsContact CA-OE2 3.24Å; G320-E322 WeakPolarHBondContact CA-OE2 3.47Å; G320-E322 PolarHBondContact O-N 3.13Å; G320-V323 VanDerWaalsContact O-CG2 3.23Å; G320-V323 WeakPolarHBondContact O-CG2 3.49Å
321I89.6Confident90.7Very high2 Ų243 Ų431%0.0123%0.234CC..G310 helixtrans-68.6-21.3-174.8-163.164.9000113.2A291 L316 M318 P319 V323 R324 W328 A334 V335A291-I321 HydrophobicContact CB-CB 4.18Å; A291-I321 HydrophobicContact CB-CD1 3.57Å; A291-I321 HydrophobicContact CB-CG1 4.46Å; L316-I321 HydrophobicContact CD2-CD1 4.2Å; M318-I321 HydrophobicContact CB-CB 4.36Å; M318-I321 HydrophobicContact CB-CD1 4.19Å; M318-I321 WeakPolarHBondContact O-CB 3.38Å; M318-I321 WeakPolarHBondContact O-CG2 3.29Å; M318-I321 PolarHBondContact O-N 3.36Å; M318-I321 HydrophobicContact SD-CD1 4.32Å; P319-I321 PolarHBondContact O-N 2.96Å; I321-V323 PolarHBondContact O-N 2.88Å; I321-V323 VanDerWaalsContact O-N 3.16Å; I321-R324 WeakPolarHBondContact O-CA 3.31Å; I321-R324 WeakPolarHBondContact O-CB 3.49Å; I321-R324 PolarHBondContact O-N 3.36Å; I321-W328 HydrophobicContact CD1-CZ2 3.51Å; I321-A334 HydrophobicContact CG1-CB 3.76Å; I321-V335 VanDerWaalsContact CG2-C 3.42Å
322E87.8Confident90.9Very high95 Ų9540.2 Ų40.244%0.44422%0.222SC..G310 helixtrans-56.6-30.6179.163.9-75.9173.600112.8G320 R324 N325G320-E322 WeakPolarHBondContact CA-OE1 3.48Å; G320-E322 VanDerWaalsContact CA-OE2 3.24Å; G320-E322 WeakPolarHBondContact CA-OE2 3.47Å; G320-E322 PolarHBondContact O-N 3.13Å; E322-R324 PolarHBondContact O-N 3.48Å; E322-N325 WeakPolarHBondContact CA-OD1 3.49Å; E322-N325 PolarHBondContact O-N 3.49Å
323V89Confident90.9Very high73 Ų7341.4 Ų41.444%0.44223%0.229SC..G310 helixtrans-66.5-5.7175-46.90000113.3T292 G320 I321T292-V323 HydrophobicContact CG2-CG1 4.08Å; T292-V323 HydrophobicContact CG2-CG2 4.12Å; G320-V323 VanDerWaalsContact O-CG2 3.23Å; G320-V323 WeakPolarHBondContact O-CG2 3.49Å; I321-V323 PolarHBondContact O-N 2.88Å; I321-V323 VanDerWaalsContact O-N 3.16Å
324R89.6Confident90.8Very high74 Ų7441.2 Ų41.228%0.27923%0.233SC..G310 helixtrans-123.47.8-178.9-59.5-60.6179.4-130.62.4113.4I321 E322 N326 T327 W328I321-R324 WeakPolarHBondContact O-CA 3.31Å; I321-R324 WeakPolarHBondContact O-CB 3.49Å; I321-R324 PolarHBondContact O-N 3.36Å; E322-R324 PolarHBondContact O-N 3.48Å; R324-N326 VanDerWaalsContact C-N 3.26Å; R324-N326 PolarHBondContact O-N 3Å; R324-N326 VanDerWaalsContact O-N 3.1Å; R324-T327 WeakPolarHBondContact O-CB 3.27Å; R324-T327 PolarHBondContact O-N 3.46Å; R324-T327 PolarHBondContact O-OG1 2.95Å; R324-W328 HydrophobicContact CB-CZ2 4.12Å; R324-W328 PolarHBondContact O-NE1 2.86Å
325N81.6Confident90.5Very high88 Ų8842.7 Ų42.747%0.47124%0.241SC..G310 helixtrans-52.2-39.5-172.9-79.9-7.4000114.3E322 T327E322-N325 WeakPolarHBondContact CA-OD1 3.49Å; E322-N325 PolarHBondContact O-N 3.49Å; N325-T327 VanDerWaalsContact C-N 3.26Å; N325-T327 PolarHBondContact O-N 3.16Å
326N85Confident90.1Very high169 Ų16947.5 Ų47.590%0.90426%0.264SS*.G310 helixtrans-83.16.9-178.2-60.9-20.2000114.5R324R324-N326 VanDerWaalsContact C-N 3.26Å; R324-N326 PolarHBondContact O-N 3Å; R324-N326 VanDerWaalsContact O-N 3.1Å
327T91.1Very high89.5Confident56 Ų5651.2 Ų51.234%0.34428%0.278SS..G310 helixtrans-103.4-16.1-175.2680000113.8I303 R324 N325I303-T327 WeakPolarHBondContact CD1-O 3.16Å; R324-T327 WeakPolarHBondContact O-CB 3.27Å; R324-T327 PolarHBondContact O-N 3.46Å; R324-T327 PolarHBondContact O-OG1 2.95Å; N325-T327 VanDerWaalsContact C-N 3.26Å; N325-T327 PolarHBondContact O-N 3.16Å
328W94.1Very high89.1Confident29 Ų2950.9 Ų50.911%0.1128%0.277CS..SBendtrans-86.9144.7-169.4-59.7109.8000112.7L299 F302 I303 L316 I321 R324 V332 A334L299-W328 HydrophobicContact CD1-CH2 3.34Å; L299-W328 HydrophobicContact CD1-CZ2 3.68Å; L299-W328 HydrophobicContact CD1-CZ3 3.89Å; F302-W328 HydrophobicContact CB-CZ3 4.01Å; I303-W328 HydrophobicContact CG1-CE3 3.9Å; I303-W328 HydrophobicContact CG1-CZ3 3.94Å; L316-W328 HydrophobicContact CD2-CD2 4.01Å; L316-W328 HydrophobicContact CD2-CE3 3.86Å; L316-W328 HydrophobicContact CD2-CH2 3.34Å; L316-W328 HydrophobicContact CD2-CZ2 3.5Å; L316-W328 VanDerWaalsContact CD2-CZ2 3.5Å; L316-W328 HydrophobicContact CD2-CZ3 3.53Å; I321-W328 HydrophobicContact CD1-CZ2 3.51Å; R324-W328 HydrophobicContact CB-CZ2 4.12Å; R324-W328 PolarHBondContact O-NE1 2.86Å; W328-V332 HydrophobicContact CB-CB 4.03Å; W328-V332 HydrophobicContact CB-CG1 4.03Å; W328-V332 HydrophobicContact CD2-CG1 4.33Å; W328-V332 HydrophobicContact CE3-CG1 4.3Å; W328-V332 HydrophobicContact CG-CG1 4.22Å; W328-A334 VanDerWaalsContact CD1-CB 3.48Å; W328-A334 HydrophobicContact CG-CB 4.19Å
329P94.8Very high88.7Confident20 Ų2051.2 Ų51.213%0.1328%0.278CS..  trans-57155.1171.2-23.633.2000112.7I303 N331 V332I303-P329 HydrophobicContact CG2-CG 4.11Å; I303-P329 WeakPolarHBondContact O-CG 3.49Å; P329-N331 VanDerWaalsContact CB-OD1 3.32Å; P329-N331 WeakPolarHBondContact CB-OD1 3.4Å; P329-N331 PolarHBondContact O-N 2.84Å; P329-N331 VanDerWaalsContact O-N 3.09Å; P329-V332 HydrophobicContact CB-CG2 4.14Å; P329-V332 HydrophobicContact CG-CG2 4.15Å; P329-V332 WeakPolarHBondContact O-CB 3.49Å; P329-V332 PolarHBondContact O-N 3.4Å
330S92Very high88.7Confident130 Ų13051.2 Ų51.291%0.90928%0.277SS*.THydrogen-bonded Turntrans-62.3-20.4-176.157.50000115.3V332S330-V332 VanDerWaalsContact C-N 3.33Å
331N92.9Very high88.5Confident22 Ų2250.9 Ų50.912%0.11827%0.274CS..THydrogen-bonded Turntrans-87-1.4174.868.2-51.3000113.6F306 L309 Y312 K313 V314 P329F306-N331 PolarHBondContact O-ND2 3.02Å; F306-N331 PolarHBondContact O-OD1 3.23Å; L309-N331 PolarHBondContact O-ND2 3.36Å; Y312-N331 PolarHBondContact O-ND2 3.5Å; K313-N331 WeakPolarHBondContact CA-O 3.36Å; V314-N331 PolarHBondContact N-O 3.46Å; P329-N331 VanDerWaalsContact CB-OD1 3.32Å; P329-N331 WeakPolarHBondContact CB-OD1 3.4Å; P329-N331 PolarHBondContact O-N 2.84Å; P329-N331 VanDerWaalsContact O-N 3.09Å
332V93.5Very high88.1Confident14 Ų1452.2 Ų52.29%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-102.2128.1178.7-179.10000109.7F306 V314 L316 W328 P329 S330F306-V332 HydrophobicContact CB-CG2 3.7Å; F306-V332 HydrophobicContact CD2-CG2 4Å; F306-V332 HydrophobicContact CG-CG2 4.26Å; V314-V332 HydrophobicContact CB-CG2 4.1Å; V314-V332 CarbonylContact O-C 3.59Å; V314-V332 WeakPolarHBondContact O-CA 3.33Å; L316-V332 HydrophobicContact CB-CG1 4Å; L316-V332 HydrophobicContact CD2-CG1 4.42Å; W328-V332 HydrophobicContact CB-CB 4.03Å; W328-V332 HydrophobicContact CB-CG1 4.03Å; W328-V332 HydrophobicContact CD2-CG1 4.33Å; W328-V332 HydrophobicContact CE3-CG1 4.3Å; W328-V332 HydrophobicContact CG-CG1 4.22Å; P329-V332 HydrophobicContact CB-CG2 4.14Å; P329-V332 HydrophobicContact CG-CG2 4.15Å; P329-V332 WeakPolarHBondContact O-CB 3.49Å; P329-V332 PolarHBondContact O-N 3.4Å; S330-V332 VanDerWaalsContact C-N 3.33Å
333V91.4Very high88.2Confident28 Ų2848 Ų4817%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-107.1110.6170.1179.40000107.6W274 K313 V314 L315 L316 V335W274-V333 HydrophobicContact CZ2-CG1 3.92Å; K313-V333 VanDerWaalsContact CE-CG2 3.47Å; K313-V333 HydrophobicContact CG-CG2 4.43Å; V314-V333 PolarHBondContact O-N 3.08Å; L315-V333 HydrophobicContact CD1-CB 4.08Å; L315-V333 HydrophobicContact CD1-CG1 3.97Å; L316-V333 PolarHBondContact N-O 3.12Å; V333-V335 HydrophobicContact CG1-CG1 4.08Å
334A91.6Very high88.3Confident23 Ų2344.6 Ų44.619%0.1924%0.241CC..EExtended strand (participates in β ladder)trans-94.8124.9-179.200000110.5L316 I321 W328L316-A334 WeakPolarHBondContact O-CA 3.14Å; I321-A334 HydrophobicContact CG1-CB 3.76Å; W328-A334 VanDerWaalsContact CD1-CB 3.48Å; W328-A334 HydrophobicContact CG-CB 4.19Å
335V88.3Confident88.2Confident31 Ų3145.3 Ų45.319%0.18824%0.244CC..EExtended strand (participates in β ladder)trans-143147.2-175.1-70.70000111.8W274 L315 L316 Q317 M318 I321 V333 I338W274-V335 HydrophobicContact CH2-CG1 4.37Å; L315-V335 HydrophobicContact CD1-CG2 3.67Å; L315-V335 HydrophobicContact CG-CG2 4.32Å; L316-V335 PolarHBondContact O-N 3.41Å; Q317-V335 VanDerWaalsContact CA-O 3.26Å; Q317-V335 WeakPolarHBondContact CA-O 3.39Å; Q317-V335 HydrophobicContact CB-CG2 4.43Å; M318-V335 PolarHBondContact N-O 3.16Å; I321-V335 VanDerWaalsContact CG2-C 3.42Å; V333-V335 HydrophobicContact CG1-CG1 4.08Å; V335-I338 HydrophobicContact CB-CG2 4.48Å; V335-I338 HydrophobicContact CG2-CG2 3.31Å
336Q84.6Confident88.5Confident104 Ų10442.3 Ų42.349%0.48623%0.229SC..SBendtrans-71-35.1-178.2-170.5-177-1.100112.5Q317 M318Q317-Q336 WeakPolarHBondContact CG-O 3.29Å; Q317-Q336 PolarHBondContact NE2-O 3.39Å; M318-Q336 WeakPolarHBondContact O-CA 3.38Å
337W82.6Confident88.6Confident78 Ų7839.7 Ų39.730%0.29522%0.221SC..  trans-146147.4-174.8-174.791.8000111.2Y6 V266 P339Y6-W337 PolarHBondContact OH-NE1 3.4Å; V266-W337 HydrophobicContact CG2-CE3 4.26Å; V266-W337 HydrophobicContact CG2-CZ3 4.13Å; W337-P339 HydrophobicContact CH2-CB 3.91Å; W337-P339 HydrophobicContact CZ3-CB 4.16Å; W337-P339 HydrophobicContact CZ3-CG 4.41Å
338I84.1Confident88.5Confident8 Ų837.6 Ų37.64%0.04121%0.209CC..  trans-140.6150.4176.364.4-179.2000111I282 L315 Q317 V335 L340 L343I282-I338 HydrophobicContact CG2-CD1 3.6Å; L315-I338 HydrophobicContact CD1-CG2 4.32Å; L315-I338 HydrophobicContact CD2-CB 4.42Å; L315-I338 HydrophobicContact CD2-CD1 4.12Å; L315-I338 HydrophobicContact CD2-CG2 3.82Å; L315-I338 HydrophobicContact CG-CG2 4.07Å; Q317-I338 HydrophobicContact CB-CD1 3.82Å; Q317-I338 HydrophobicContact CB-CG1 3.98Å; Q317-I338 HydrophobicContact CB-CG2 4.09Å; Q317-I338 HydrophobicContact CG-CD1 4.4Å; Q317-I338 HydrophobicContact CG-CG1 4Å; Q317-I338 HydrophobicContact CG-CG2 4.24Å; V335-I338 HydrophobicContact CB-CG2 4.48Å; V335-I338 HydrophobicContact CG2-CG2 3.31Å; I338-L340 HydrophobicContact CD1-CB 4.36Å; I338-L340 HydrophobicContact CD1-CD1 4.05Å; I338-L340 HydrophobicContact CG1-CB 4.13Å; I338-L340 PolarHBondContact O-N 3.25Å; I338-L343 HydrophobicContact CB-CD1 3.86Å; I338-L343 HydrophobicContact CD1-CD1 4.02Å; I338-L343 HydrophobicContact CG1-CD1 4.23Å
339P82.5Confident88.4Confident6 Ų636.4 Ų36.44%0.03921%0.205CC..  trans-76.472.8167.732.8-34.2000109.5F263 W337 L341 D342 L343F263-P339 HydrophobicContact CD2-CB 4.48Å; F263-P339 HydrophobicContact CD2-CG 3.73Å; F263-P339 HydrophobicContact CE2-CG 4.4Å; W337-P339 HydrophobicContact CH2-CB 3.91Å; W337-P339 HydrophobicContact CZ3-CB 4.16Å; W337-P339 HydrophobicContact CZ3-CG 4.41Å; P339-L341 PolarHBondContact O-N 2.84Å; P339-D342 HydrophobicContact CB-CB 4.37Å; P339-D342 PolarHBondContact O-N 2.77Å; P339-D342 VanDerWaalsContact O-N 3.14Å; P339-L343 HydrophobicContact CG-CD1 4.47Å; P339-L343 HydrophobicContact CG-CG 4.45Å; P339-L343 WeakPolarHBondContact O-CG 3.35Å; P339-L343 PolarHBondContact O-N 3.09Å; P339-L343 VanDerWaalsContact O-N 3.12Å
340L87Confident88.3Confident17 Ų1737.4 Ų37.49%0.08921%0.208CC..Hα-helixtrans-53.2-48.6-168.8176.960.4000112.7I282 I338 D342 L343 L344 L352 T360I282-L340 HydrophobicContact CD1-CD1 4.2Å; I282-L340 HydrophobicContact CG2-CD1 3.7Å; I338-L340 HydrophobicContact CD1-CB 4.36Å; I338-L340 HydrophobicContact CD1-CD1 4.05Å; I338-L340 HydrophobicContact CG1-CB 4.13Å; I338-L340 PolarHBondContact O-N 3.25Å; L340-D342 VanDerWaalsContact C-N 3.34Å; L340-D342 PolarHBondContact O-N 3.36Å; L340-L343 PolarHBondContact O-N 3.26Å; L340-L344 HydrophobicContact CD1-CD1 3.96Å; L340-L344 HydrophobicContact CD1-CD2 4.35Å; L340-L344 HydrophobicContact CD1-CG 3.92Å; L340-L344 HydrophobicContact CD2-CD1 4.49Å; L340-L344 HydrophobicContact CG-CD1 3.83Å; L340-L344 HydrophobicContact CG-CG 4.23Å; L340-L344 VanDerWaalsContact O-CG 3.28Å; L340-L344 WeakPolarHBondContact O-CG 3.41Å; L340-L344 PolarHBondContact O-N 2.76Å; L340-L352 HydrophobicContact CD1-CD1 4.15Å; L340-T360 HydrophobicContact CD2-CG2 3.74Å
341L85Confident88.6Confident1 Ų131.2 Ų31.21%0.00516%0.164CC..Hα-helixtrans-57-45-180172.757.6000112.6F251 W257 P339 L343 L344 R345 E363 N367F251-L341 HydrophobicContact CE1-CD1 4.16Å; F251-L341 HydrophobicContact CE2-CD1 4.17Å; F251-L341 HydrophobicContact CE2-CD2 4.46Å; F251-L341 HydrophobicContact CZ-CD1 3.39Å; F251-L341 HydrophobicContact CZ-CD2 3.65Å; F251-L341 HydrophobicContact CZ-CG 4.16Å; W257-L341 HydrophobicContact CB-CD2 3.77Å; W257-L341 HydrophobicContact CD2-CD2 3.59Å; W257-L341 HydrophobicContact CE3-CB 4.09Å; W257-L341 HydrophobicContact CE3-CD2 3.89Å; W257-L341 HydrophobicContact CG-CD2 3.53Å; W257-L341 HydrophobicContact CZ3-CB 4.41Å; P339-L341 PolarHBondContact O-N 2.84Å; L341-L343 VanDerWaalsContact C-N 3.34Å; L341-L344 PolarHBondContact O-N 2.83Å; L341-R345 WeakPolarHBondContact O-CG 3.43Å; L341-R345 PolarHBondContact O-N 2.89Å; L341-E363 HydrophobicContact CD1-CG 4.21Å; L341-N367 WeakPolarHBondContact CD1-ND2 3.17Å
342D82.7Confident88.8Confident30 Ų3030.2 Ų30.216%0.1616%0.159CC..Hα-helixtrans-67.3-38.5-179.6-64.1-52.6000111.8W257 F263 P339 L340 R345W257-D342 VanDerWaalsContact O-OD2 3.06Å; F263-D342 HydrophobicContact CD2-CB 4Å; F263-D342 HydrophobicContact CE2-CB 4.24Å; P339-D342 HydrophobicContact CB-CB 4.37Å; P339-D342 PolarHBondContact O-N 2.77Å; P339-D342 VanDerWaalsContact O-N 3.14Å; L340-D342 VanDerWaalsContact C-N 3.34Å; L340-D342 PolarHBondContact O-N 3.36Å; D342-R345 WeakPolarHBondContact O-CB 3.35Å; D342-R345 PolarHBondContact O-N 3.48Å; D342-R345 IonicContact OD1-CZ 3.55Å; D342-R345 IonicContact OD1-NH1 3.26Å; D342-R345 PolarHBondContact OD1-NH1 3.44Å
343L88Confident89.1Confident7 Ų729.5 Ų29.54%0.03716%0.155CC..Hα-helixtrans-64.4-42.1174.6-67166.4000111.4F263 I282 L315 I338 P339 L340 L341 R345 S346 V349F263-L343 HydrophobicContact CE2-CD2 3.86Å; F263-L343 HydrophobicContact CE2-CG 4.3Å; F263-L343 HydrophobicContact CZ-CD2 4.43Å; I282-L343 HydrophobicContact CD1-CB 3.57Å; I282-L343 HydrophobicContact CD1-CD1 4.29Å; L315-L343 HydrophobicContact CD2-CD1 3.53Å; I338-L343 HydrophobicContact CB-CD1 3.86Å; I338-L343 HydrophobicContact CD1-CD1 4.02Å; I338-L343 HydrophobicContact CG1-CD1 4.23Å; P339-L343 HydrophobicContact CG-CD1 4.47Å; P339-L343 HydrophobicContact CG-CG 4.45Å; P339-L343 WeakPolarHBondContact O-CG 3.35Å; P339-L343 PolarHBondContact O-N 3.09Å; P339-L343 VanDerWaalsContact O-N 3.12Å; L340-L343 PolarHBondContact O-N 3.26Å; L341-L343 VanDerWaalsContact C-N 3.34Å; L343-R345 PolarHBondContact O-N 2.75Å; L343-S346 VanDerWaalsContact O-CB 3.24Å; L343-S346 WeakPolarHBondContact O-CB 3.37Å; L343-S346 PolarHBondContact O-N 3.3Å; L343-V349 WeakPolarHBondContact O-CG2 3.46Å
344L91.8Very high89.4Confident2 Ų228.2 Ų28.21%0.0115%0.147CC..Hα-helixtrans-62.5-23.8178.4-71.2173.1000113I282 L340 L341 S346 V349 L352 E363 N367 V369I282-L344 HydrophobicContact CD1-CD2 4.38Å; L340-L344 HydrophobicContact CD1-CD1 3.96Å; L340-L344 HydrophobicContact CD1-CD2 4.35Å; L340-L344 HydrophobicContact CD1-CG 3.92Å; L340-L344 HydrophobicContact CD2-CD1 4.49Å; L340-L344 HydrophobicContact CG-CD1 3.83Å; L340-L344 HydrophobicContact CG-CG 4.23Å; L340-L344 VanDerWaalsContact O-CG 3.28Å; L340-L344 WeakPolarHBondContact O-CG 3.41Å; L340-L344 PolarHBondContact O-N 2.76Å; L341-L344 PolarHBondContact O-N 2.83Å; L344-S346 PolarHBondContact O-N 3.48Å; L344-V349 HydrophobicContact CD2-CG1 4.26Å; L344-L352 HydrophobicContact CD1-CD2 4.43Å; L344-L352 HydrophobicContact CD2-CB 4.38Å; L344-L352 HydrophobicContact CD2-CD2 4.22Å; L344-E363 HydrophobicContact CD1-CB 3.79Å; L344-N367 HydrophobicContact CB-CB 4Å; L344-N367 WeakPolarHBondContact O-CB 3.16Å; L344-V369 HydrophobicContact CB-CG2 4.49Å; L344-V369 HydrophobicContact CD2-CB 4.03Å; L344-V369 HydrophobicContact CD2-CG1 3.99Å; L344-V369 HydrophobicContact CD2-CG2 3.88Å
345R87.7Confident89.5Confident89 Ų8927.9 Ų27.934%0.33614%0.141SC..THydrogen-bonded Turntrans-69.6-20.3173.4-68.3168.4178.6165.7-6.5112.8L341 D342 L343 N367L341-R345 WeakPolarHBondContact O-CG 3.43Å; L341-R345 PolarHBondContact O-N 2.89Å; D342-R345 WeakPolarHBondContact O-CB 3.35Å; D342-R345 PolarHBondContact O-N 3.48Å; D342-R345 IonicContact OD1-CZ 3.55Å; D342-R345 IonicContact OD1-NH1 3.26Å; D342-R345 PolarHBondContact OD1-NH1 3.44Å; L343-R345 PolarHBondContact O-N 2.75Å; R345-N367 WeakPolarHBondContact CG-OD1 3.39Å
346S87.1Confident89.8Confident24 Ų2426.4 Ų26.417%0.16813%0.132CC..SBendtrans-72.9131.2-178.71790000111.5L343 L344 S348 V349L343-S346 VanDerWaalsContact O-CB 3.24Å; L343-S346 WeakPolarHBondContact O-CB 3.37Å; L343-S346 PolarHBondContact O-N 3.3Å; L344-S346 PolarHBondContact O-N 3.48Å; S346-S348 PolarHBondContact O-N 2.56Å; S346-S348 VanDerWaalsContact O-N 3.11Å; S346-S348 WeakPolarHBondContact OG-CB 3.5Å; S346-S348 PolarHBondContact OG-N 3Å; S346-V349 PolarHBondContact O-N 2.95Å; S346-V349 VanDerWaalsContact O-N 3.16Å
347P86.9Confident90.2Very high114 Ų11422 Ų2274%0.7411%0.114SC*.THydrogen-bonded Turntrans-65-12.9173.329-35.5000113V349 K350P347-V349 VanDerWaalsContact C-N 3.3Å; P347-K350 PolarHBondContact O-NZ 3.4Å
348S89.3Confident90.6Very high13 Ų1318.4 Ų18.49%0.09110%0.101CC..THydrogen-bonded Turntrans-68.5-27.5174.5-65.90000113.1D277 M280 S346 K350D277-S348 WeakPolarHBondContact O-CB 2.86Å; D277-S348 PolarHBondContact O-OG 2.94Å; M280-S348 PolarHBondContact N-O 3.29Å; S346-S348 PolarHBondContact O-N 2.56Å; S346-S348 VanDerWaalsContact O-N 3.11Å; S346-S348 WeakPolarHBondContact OG-CB 3.5Å; S346-S348 PolarHBondContact OG-N 3Å; S348-K350 WeakPolarHBondContact O-CE 3.45Å; S348-K350 PolarHBondContact O-N 2.9Å
349V92.9Very high90.8Very high4 Ų420 Ų202%0.02411%0.113CC..EExtended strand (participates in β ladder)trans-74.5116.3-178.7-178.20000110.2M280 I282 L343 L344 S346 P347 V369M280-V349 HydrophobicContact CB-CG2 4.35Å; I282-V349 HydrophobicContact CD1-CG1 3.96Å; I282-V349 HydrophobicContact CD1-CG2 3.73Å; I282-V349 HydrophobicContact CG1-CG1 4.11Å; I282-V349 HydrophobicContact CG1-CG2 4.26Å; L343-V349 WeakPolarHBondContact O-CG2 3.46Å; L344-V349 HydrophobicContact CD2-CG1 4.26Å; S346-V349 PolarHBondContact O-N 2.95Å; S346-V349 VanDerWaalsContact O-N 3.16Å; P347-V349 VanDerWaalsContact C-N 3.3Å; V349-V369 HydrophobicContact CG1-CG1 3.93Å; V349-V369 HydrophobicContact CG1-CG2 4.39Å
350K93.4Very high91.2Very high41 Ų4120.6 Ų20.618%0.17812%0.116CC..EExtended strand (participates in β ladder)trans-95.8-33.8-176.7-56.3-46.8177.1-165.10112.6K278 N279 M280 Y312 P347 S348 L414 P415 R435K278-K350 WeakPolarHBondContact O-CE 3.49Å; K278-K350 PolarHBondContact O-NZ 2.89Å; K278-K350 VanDerWaalsContact O-NZ 3.14Å; N279-K350 VanDerWaalsContact OD1-CE 3.27Å; N279-K350 WeakPolarHBondContact OD1-CE 3.33Å; M280-K350 PolarHBondContact O-N 2.9Å; Y312-K350 HydrophobicContact CE1-CB 4.21Å; Y312-K350 HydrophobicContact CE1-CG 4.02Å; P347-K350 PolarHBondContact O-NZ 3.4Å; S348-K350 WeakPolarHBondContact O-CE 3.45Å; S348-K350 PolarHBondContact O-N 2.9Å; K350-L414 HydrophobicContact CB-CD2 4.03Å; K350-P415 HydrophobicContact CD-CG 4.47Å; K350-P415 HydrophobicContact CG-CG 4.39Å; K350-R435 VanDerWaalsContact C-NH2 3.27Å; K350-R435 VanDerWaalsContact CB-NH2 3.31Å; K350-R435 VanDerWaalsContact O-CZ 3.24Å; K350-R435 PolarHBondContact O-NH1 3.15Å; K350-R435 PolarHBondContact O-NH2 3.47Å
351L97.3Very high91.5Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-151.5143.5-177.6-172.971.8000109.1I282 I353 P370 L372 L410 M413 L414I282-L351 PolarHBondContact N-O 3.29Å; L351-I353 HydrophobicContact CD2-CG1 4.37Å; L351-P370 HydrophobicContact CD1-CB 4.13Å; L351-P370 WeakPolarHBondContact CD1-O 3.18Å; L351-L372 HydrophobicContact CD2-CB 4.32Å; L351-L410 HydrophobicContact CD2-CD2 3.58Å; L351-M413 HydrophobicContact CD1-CB 3.98Å; L351-M413 HydrophobicContact CD1-CE 3.64Å; L351-M413 HydrophobicContact CD1-SD 4.03Å; L351-M413 HydrophobicContact CD2-CB 4.27Å; L351-L414 HydrophobicContact CB-CD2 3.58Å; L351-L414 HydrophobicContact CB-CG 4.46Å; L351-L414 HydrophobicContact CD2-CD2 4.08Å; L351-L414 HydrophobicContact CD2-CG 4.07Å; L351-L414 HydrophobicContact CG-CD2 4.44Å
352L98.2Very high91.9Very high0 Ų019.9 Ų19.90%011%0.113CC..EExtended strand (participates in β ladder)trans-105.3123.6166.417662.4000109.1I282 L340 L344 T360 A364 V369 P370 M371 L372I282-L352 HydrophobicContact CB-CD1 4Å; I282-L352 HydrophobicContact CG2-CD1 3.89Å; I282-L352 CarbonylContact O-C 3.56Å; I282-L352 WeakPolarHBondContact O-CA 3.36Å; L340-L352 HydrophobicContact CD1-CD1 4.15Å; L344-L352 HydrophobicContact CD1-CD2 4.43Å; L344-L352 HydrophobicContact CD2-CB 4.38Å; L344-L352 HydrophobicContact CD2-CD2 4.22Å; L352-T360 HydrophobicContact CD2-CG2 3.67Å; L352-A364 HydrophobicContact CD2-CB 3.69Å; L352-V369 HydrophobicContact CB-CG1 3.96Å; L352-P370 PolarHBondContact N-O 3.31Å; L352-P370 VanDerWaalsContact N-O 3.07Å; L352-M371 HydrophobicContact CD2-CE 3.79Å; L352-M371 CarbonylContact O-C 3.56Å; L352-M371 VanDerWaalsContact O-CA 3.22Å; L352-M371 WeakPolarHBondContact O-CA 3.45Å; L352-L372 PolarHBondContact O-N 3.17Å
353I98.4Very high92.3Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-96122.6165.9-52.5171.5000106.1I281 I282 A283 S284 F285 F306 L351 L372 I374 L410I281-I353 HydrophobicContact CG2-CD1 3.86Å; I281-I353 HydrophobicContact CG2-CG1 4.09Å; I282-I353 PolarHBondContact O-N 3.46Å; A283-I353 CarbonylContact C-O 3.5Å; A283-I353 VanDerWaalsContact CA-O 3.26Å; A283-I353 WeakPolarHBondContact CA-O 3.43Å; A283-I353 HydrophobicContact CB-CB 3.99Å; A283-I353 HydrophobicContact CB-CD1 4.37Å; S284-I353 PolarHBondContact N-O 2.93Å; F285-I353 HydrophobicContact CZ-CG2 4.01Å; F306-I353 HydrophobicContact CE1-CD1 3.65Å; F306-I353 HydrophobicContact CZ-CD1 3.91Å; L351-I353 HydrophobicContact CD2-CG1 4.37Å; I353-L372 WeakPolarHBondContact CA-O 3.16Å; I353-L372 HydrophobicContact CG1-CB 4.37Å; I353-I374 HydrophobicContact CG2-CD1 3.81Å; I353-I374 HydrophobicContact CG2-CG1 4.34Å; I353-L410 HydrophobicContact CD1-CD2 3.68Å; I353-L410 HydrophobicContact CG1-CD2 4.13Å
354S97.4Very high92.6Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-149.7156.8-177.2-173.40000112.4S284 G356 T360 L372 G373 I374S284-S354 VanDerWaalsContact O-CA 3.24Å; S284-S354 WeakPolarHBondContact O-CA 2.95Å; S284-S354 WeakPolarHBondContact O-CB 3.08Å; S284-S354 PolarHBondContact O-OG 2.8Å; S354-G356 PolarHBondContact O-N 3.22Å; S354-G356 PolarHBondContact OG-N 3.26Å; S354-T360 WeakPolarHBondContact OG-CG2 3.26Å; S354-L372 PolarHBondContact N-O 3.02Å; S354-G373 CarbonylContact O-C 3.55Å; S354-G373 VanDerWaalsContact O-CA 3.27Å; S354-G373 WeakPolarHBondContact O-CA 3.21Å; S354-I374 PolarHBondContact O-N 3.41Å
355H95Very high92.7Very high17 Ų1718.9 Ų18.98%0.07911%0.107CC..  trans-63.3-20.8167.168.7-82.9000112.8F285 G286 G357 I374 P375 L376 Q380F285-H355 VanDerWaalsContact C-CE1 3.5Å; F285-H355 VanDerWaalsContact CA-ND1 3.32Å; F285-H355 WeakPolarHBondContact CA-ND1 3.4Å; F285-H355 HydrophobicContact CD1-CB 4.26Å; F285-H355 PolarHBondContact O-ND1 2.91Å; F285-H355 VanDerWaalsContact O-ND1 3.08Å; G286-H355 PolarHBondContact N-CE1 3.19Å; G286-H355 PolarHBondContact N-ND1 3.48Å; H355-G357 PolarHBondContact CD2-N 3.2Å; H355-G357 WeakPolarHBondContact NE2-CA 3.38Å; H355-G357 PolarHBondContact NE2-N 2.92Å; H355-I374 VanDerWaalsContact CA-O 3.29Å; H355-I374 WeakPolarHBondContact CA-O 3.39Å; H355-P375 WeakPolarHBondContact O-CA 3.22Å; H355-L376 HydrophobicContact CB-CD1 4.11Å; H355-L376 HydrophobicContact CB-CG 4.13Å; H355-Q380 PolarHBondContact CD2-NE2 3.33Å; H355-Q380 WeakPolarHBondContact O-CB 3.47Å
356G94.5Very high92.9Very high0 Ų015.1 Ų15.10%09%0.093CC..  trans87.234.917900000113.9S354 T361 N383S354-G356 PolarHBondContact O-N 3.22Å; S354-G356 PolarHBondContact OG-N 3.26Å; G356-T361 PolarHBondContact O-OG1 3.28Å; G356-N383 VanDerWaalsContact O-CB 3.24Å; G356-N383 WeakPolarHBondContact O-CB 3.43Å; G356-N383 PolarHBondContact O-ND2 2.84Å
357G92.5Very high93.1Very high10 Ų1015.4 Ų15.410%0.1039%0.093CC..  trans-59.1150.1167.800000110.8H355 S359 T360 T361H355-G357 PolarHBondContact CD2-N 3.2Å; H355-G357 WeakPolarHBondContact NE2-CA 3.38Å; H355-G357 PolarHBondContact NE2-N 2.92Å; G357-S359 PolarHBondContact O-N 3.45Å; G357-T360 PolarHBondContact O-N 3.24Å; G357-T361 WeakPolarHBondContact O-CB 3.3Å; G357-T361 PolarHBondContact O-N 2.96Å; G357-T361 PolarHBondContact O-OG1 2.73Å
358M90.7Very high93.5Very high4 Ų410.5 Ų10.52%0.026%0.062CC..Hα-helixtrans-58.8-48.7-169.9-171.663.5-86.300112.5N148 P150 P231 L232 T360 T361 V362 N383N148-M358 VanDerWaalsContact O-CB 3.31Å; N148-M358 WeakPolarHBondContact O-CB 3.37Å; P150-M358 HydrophobicContact CB-SD 4.3Å; P231-M358 HydrophobicContact CB-CG 4.45Å; P231-M358 HydrophobicContact CG-CG 3.66Å; L232-M358 HydrophobicContact CB-CE 4.43Å; L232-M358 HydrophobicContact CB-SD 3.8Å; L232-M358 HydrophobicContact CD1-CE 3.69Å; L232-M358 HydrophobicContact CD1-SD 3.7Å; L232-M358 HydrophobicContact CG-SD 4.31Å; M358-T360 PolarHBondContact O-N 3.3Å; M358-T361 HydrophobicContact CE-CG2 4.27Å; M358-T361 WeakPolarHBondContact O-CB 3.47Å; M358-T361 PolarHBondContact O-N 3.26Å; M358-V362 HydrophobicContact CE-CG2 3.33Å; M358-V362 WeakPolarHBondContact O-CG2 3.48Å; M358-V362 PolarHBondContact O-N 3.38Å; M358-V362 VanDerWaalsContact O-N 3.08Å; M358-N383 PolarHBondContact N-ND2 2.83Å
359S87.9Confident93.8Very high41 Ų4110.2 Ų10.229%0.2876%0.06SC..Hα-helixtrans-60.3-50.5179.7-31.90000111.7N148 G357 T361 V362 E363N148-S359 PolarHBondContact OD1-OG 3.45Å; N148-S359 VanDerWaalsContact OD1-OG 3.1Å; G357-S359 PolarHBondContact O-N 3.45Å; S359-T361 VanDerWaalsContact C-N 3.3Å; S359-T361 PolarHBondContact O-N 3.46Å; S359-V362 PolarHBondContact O-N 3.1Å; S359-E363 VanDerWaalsContact O-CG 3.28Å; S359-E363 WeakPolarHBondContact O-CG 3.35Å; S359-E363 PolarHBondContact O-N 3.47Å
360T91.7Very high94.1Very high19 Ų1910 Ų1012%0.1176%0.059CC..Hα-helixtrans-60.7-37.5178.2-60.10000112.7L340 L352 S354 G357 M358 E363 A364 M371L340-T360 HydrophobicContact CD2-CG2 3.74Å; L352-T360 HydrophobicContact CD2-CG2 3.67Å; S354-T360 WeakPolarHBondContact OG-CG2 3.26Å; G357-T360 PolarHBondContact O-N 3.24Å; M358-T360 PolarHBondContact O-N 3.3Å; T360-E363 PolarHBondContact O-N 2.76Å; T360-A364 WeakPolarHBondContact O-CB 3.43Å; T360-A364 PolarHBondContact O-N 3.09Å; T360-M371 HydrophobicContact CG2-CE 4.41Å
361T93.9Very high94.3Very high1 Ų18.1 Ų8.11%0.0065%0.05CC..Hα-helixtrans-60.9-47.5175.6-60.70000110.9G356 G357 M358 S359 A364 V365 N383 L387G356-T361 PolarHBondContact O-OG1 3.28Å; G357-T361 WeakPolarHBondContact O-CB 3.3Å; G357-T361 PolarHBondContact O-N 2.96Å; G357-T361 PolarHBondContact O-OG1 2.73Å; M358-T361 HydrophobicContact CE-CG2 4.27Å; M358-T361 WeakPolarHBondContact O-CB 3.47Å; M358-T361 PolarHBondContact O-N 3.26Å; S359-T361 VanDerWaalsContact C-N 3.3Å; S359-T361 PolarHBondContact O-N 3.46Å; T361-A364 PolarHBondContact O-N 2.8Å; T361-V365 WeakPolarHBondContact O-CG2 3.12Å; T361-V365 PolarHBondContact O-N 3.35Å; T361-N383 HydrophobicContact CG2-CB 4.38Å; T361-L387 HydrophobicContact CG2-CD1 3.67Å; T361-L387 HydrophobicContact CG2-CD2 4.03Å; T361-L387 HydrophobicContact CG2-CG 3.82Å
362V92.2Very high94.4Very high2 Ų28.1 Ų8.11%0.0125%0.05CC..Hα-helixtrans-68.9-40.7179.8178.20000111.6P231 E233 F251 M358 S359 A364 V365 N366P231-V362 WeakPolarHBondContact O-CG2 3.32Å; E233-V362 HydrophobicContact CG-CG1 3.83Å; E233-V362 HydrophobicContact CG-CG2 4.16Å; E233-V362 VanDerWaalsContact OE1-CG1 3.31Å; E233-V362 WeakPolarHBondContact OE1-CG1 3.42Å; F251-V362 VanDerWaalsContact CA-CG1 3.41Å; F251-V362 HydrophobicContact CB-CG1 3.46Å; F251-V362 VanDerWaalsContact CB-CG1 3.46Å; F251-V362 HydrophobicContact CD2-CG1 3.75Å; F251-V362 HydrophobicContact CG-CG1 3.99Å; M358-V362 HydrophobicContact CE-CG2 3.33Å; M358-V362 WeakPolarHBondContact O-CG2 3.48Å; M358-V362 PolarHBondContact O-N 3.38Å; M358-V362 VanDerWaalsContact O-N 3.08Å; S359-V362 PolarHBondContact O-N 3.1Å; V362-A364 PolarHBondContact O-N 3.42Å; V362-V365 PolarHBondContact O-N 3.16Å; V362-N366 VanDerWaalsContact CG1-ND2 3.32Å; V362-N366 WeakPolarHBondContact CG1-ND2 3.37Å; V362-N366 WeakPolarHBondContact O-CB 3.14Å; V362-N366 PolarHBondContact O-N 3.35Å; V362-N366 PolarHBondContact O-ND2 2.95Å
363E91.5Very high94.3Very high17 Ų178.1 Ų8.18%0.0795%0.05CC..Hα-helixtrans-57.3-47.6175.2-74.7169.2-175.400111.9F251 L341 L344 S359 T360 V365 N366 N367F251-E363 HydrophobicContact CD2-CG 4.17Å; F251-E363 HydrophobicContact CE2-CB 4.28Å; F251-E363 HydrophobicContact CE2-CG 3.4Å; F251-E363 HydrophobicContact CZ-CG 4.18Å; L341-E363 HydrophobicContact CD1-CG 4.21Å; L344-E363 HydrophobicContact CD1-CB 3.79Å; S359-E363 VanDerWaalsContact O-CG 3.28Å; S359-E363 WeakPolarHBondContact O-CG 3.35Å; S359-E363 PolarHBondContact O-N 3.47Å; T360-E363 PolarHBondContact O-N 2.76Å; E363-V365 VanDerWaalsContact C-N 3.34Å; E363-V365 PolarHBondContact O-N 2.92Å; E363-N366 PolarHBondContact O-N 2.92Å; E363-N367 WeakPolarHBondContact O-CB 3.36Å; E363-N367 PolarHBondContact O-N 3.4Å; E363-N367 PolarHBondContact O-ND2 3.29Å
364A94.7Very high94.2Very high0 Ų08.1 Ų8.10%05%0.05CC..Hα-helixtrans-60.6-45.7179.600000111.3L352 T360 T361 V362 N367 A368 V369 M371L352-A364 HydrophobicContact CD2-CB 3.69Å; T360-A364 WeakPolarHBondContact O-CB 3.43Å; T360-A364 PolarHBondContact O-N 3.09Å; T361-A364 PolarHBondContact O-N 2.8Å; V362-A364 PolarHBondContact O-N 3.42Å; A364-N367 CarbonylContact O-C 3.52Å; A364-N367 PolarHBondContact O-N 2.95Å; A364-A368 PolarHBondContact O-N 3.03Å; A364-V369 PolarHBondContact O-N 3.48Å; A364-M371 HydrophobicContact CB-CE 3.87Å
365V94.3Very high94.1Very high0 Ų08.1 Ų8.10%05%0.051CC..Hα-helixtrans-67-45.4-179.5176.90000111.8L236 T361 V362 E363 N367 A368 L387 I438 L441 L445L236-V365 HydrophobicContact CD1-CG2 4.3Å; T361-V365 WeakPolarHBondContact O-CG2 3.12Å; T361-V365 PolarHBondContact O-N 3.35Å; V362-V365 PolarHBondContact O-N 3.16Å; E363-V365 VanDerWaalsContact C-N 3.34Å; E363-V365 PolarHBondContact O-N 2.92Å; V365-N367 PolarHBondContact O-N 3.23Å; V365-A368 PolarHBondContact O-N 3.4Å; V365-L387 HydrophobicContact CG2-CD1 4.24Å; V365-L387 HydrophobicContact CG2-CD2 3.49Å; V365-L387 VanDerWaalsContact CG2-CD2 3.49Å; V365-I438 HydrophobicContact CB-CD1 4.35Å; V365-I438 HydrophobicContact CG1-CD1 4.27Å; V365-I438 HydrophobicContact CG2-CD1 4.06Å; V365-L441 HydrophobicContact CG1-CD2 3.55Å; V365-L441 HydrophobicContact CG1-CG 3.67Å; V365-L441 HydrophobicContact CG2-CD2 4.27Å; V365-L445 HydrophobicContact CB-CD1 4.44Å; V365-L445 HydrophobicContact CG1-CD1 3.37Å
366N90.7Very high93.9Very high11 Ų117.4 Ų7.46%0.0595%0.047CC..Hα-helixtrans-64.8-25179.5-84-89.4000112.7E233 F251 V362 E363 K442 Q449E233-N366 PolarHBondContact OE1-ND2 3.49Å; F251-N366 HydrophobicContact CB-CB 4.43Å; F251-N366 WeakPolarHBondContact CB-ND2 3.37Å; F251-N366 HydrophobicContact CD1-CB 4.04Å; F251-N366 HydrophobicContact CG-CB 4.14Å; V362-N366 VanDerWaalsContact CG1-ND2 3.32Å; V362-N366 WeakPolarHBondContact CG1-ND2 3.37Å; V362-N366 WeakPolarHBondContact O-CB 3.14Å; V362-N366 PolarHBondContact O-N 3.35Å; V362-N366 PolarHBondContact O-ND2 2.95Å; E363-N366 PolarHBondContact O-N 2.92Å; N366-K442 VanDerWaalsContact O-CD 3.24Å; N366-K442 WeakPolarHBondContact O-CD 3.28Å; N366-K442 WeakPolarHBondContact O-CE 3.33Å; N366-Q449 PolarHBondContact OD1-NE2 3.03Å
367N92.3Very high93.8Very high29 Ų299.9 Ų9.916%0.1556%0.059CC..THydrogen-bonded Turntrans-96.93.5175.1-68.1-70.1000114.4L341 L344 R345 E363 A364 V365 V369L341-N367 WeakPolarHBondContact CD1-ND2 3.17Å; L344-N367 HydrophobicContact CB-CB 4Å; L344-N367 WeakPolarHBondContact O-CB 3.16Å; R345-N367 WeakPolarHBondContact CG-OD1 3.39Å; E363-N367 WeakPolarHBondContact O-CB 3.36Å; E363-N367 PolarHBondContact O-N 3.4Å; E363-N367 PolarHBondContact O-ND2 3.29Å; A364-N367 CarbonylContact O-C 3.52Å; A364-N367 PolarHBondContact O-N 2.95Å; V365-N367 PolarHBondContact O-N 3.23Å; N367-V369 HydrophobicContact CB-CG2 4.41Å
368A95.2Very high93.7Very high12 Ų1210.4 Ų10.410%0.0996%0.064CC..THydrogen-bonded Turntrans60.538.1-179.200000115.6A364 V365 I438 L439 K442A364-A368 PolarHBondContact O-N 3.03Å; V365-A368 PolarHBondContact O-N 3.4Å; A368-I438 HydrophobicContact CB-CG1 4.3Å; A368-I438 HydrophobicContact CB-CG2 4.31Å; A368-I438 WeakPolarHBondContact O-CG2 3.3Å; A368-L439 HydrophobicContact CB-CD2 3.8Å; A368-L439 HydrophobicContact CB-CG 4.42Å; A368-K442 HydrophobicContact CB-CB 4.15Å; A368-K442 HydrophobicContact CB-CD 3.57Å; A368-K442 HydrophobicContact CB-CG 4.5Å
369V96.3Very high93.7Very high6 Ų610.8 Ų10.84%0.0367%0.066CC..  trans-102.3118175.9-177.40000109.6L344 V349 L352 A364 N367L344-V369 HydrophobicContact CB-CG2 4.49Å; L344-V369 HydrophobicContact CD2-CB 4.03Å; L344-V369 HydrophobicContact CD2-CG1 3.99Å; L344-V369 HydrophobicContact CD2-CG2 3.88Å; V349-V369 HydrophobicContact CG1-CG1 3.93Å; V349-V369 HydrophobicContact CG1-CG2 4.39Å; L352-V369 HydrophobicContact CB-CG1 3.96Å; A364-V369 PolarHBondContact O-N 3.48Å; N367-V369 HydrophobicContact CB-CG2 4.41Å
370P97.8Very high94Very high1 Ų19.3 Ų9.31%0.0066%0.055CC..  trans-60.8154.1172.2-20.432.2000111.9L351 L352 V392 M413 I438L351-P370 HydrophobicContact CD1-CB 4.13Å; L351-P370 WeakPolarHBondContact CD1-O 3.18Å; L352-P370 PolarHBondContact N-O 3.31Å; L352-P370 VanDerWaalsContact N-O 3.07Å; P370-V392 WeakPolarHBondContact CA-O 3.42Å; P370-M413 HydrophobicContact CB-CE 4.16Å; P370-I438 HydrophobicContact CG-CG2 3.96Å
371M98.3Very high94Very high0 Ų09.2 Ų9.20%05%0.053CC..EExtended strand (participates in β ladder)trans-123.4130.8-175.6-173.9-174.9-6900113.1L352 T360 A364 V384 L387 V392 A393 D394 M413L352-M371 HydrophobicContact CD2-CE 3.79Å; L352-M371 CarbonylContact O-C 3.56Å; L352-M371 VanDerWaalsContact O-CA 3.22Å; L352-M371 WeakPolarHBondContact O-CA 3.45Å; T360-M371 HydrophobicContact CG2-CE 4.41Å; A364-M371 HydrophobicContact CB-CE 3.87Å; M371-V384 HydrophobicContact SD-CG2 4.48Å; M371-L387 HydrophobicContact CB-CD1 4.18Å; M371-L387 HydrophobicContact CE-CD1 4.2Å; M371-L387 HydrophobicContact SD-CD1 4.08Å; M371-V392 PolarHBondContact N-O 3.3Å; M371-A393 HydrophobicContact CB-CB 4.2Å; M371-A393 CarbonylContact O-C 3.48Å; M371-A393 WeakPolarHBondContact O-CA 3.47Å; M371-A393 WeakPolarHBondContact O-CB 3.38Å; M371-D394 PolarHBondContact O-N 2.95Å; M371-M413 WeakPolarHBondContact O-CE 3.27Å
372L98.4Very high94Very high0 Ų09.2 Ų9.20%05%0.053CC..EExtended strand (participates in β ladder)trans-92.5105.915817860.2000108.2L351 L352 I353 S354 D394 L396 L406 K409 L410 M413L351-L372 HydrophobicContact CD2-CB 4.32Å; L352-L372 PolarHBondContact O-N 3.17Å; I353-L372 WeakPolarHBondContact CA-O 3.16Å; I353-L372 HydrophobicContact CG1-CB 4.37Å; S354-L372 PolarHBondContact N-O 3.02Å; L372-D394 WeakPolarHBondContact CA-O 3.43Å; L372-D394 HydrophobicContact CD1-CB 4.2Å; L372-L396 HydrophobicContact CD1-CB 4.41Å; L372-L406 HydrophobicContact CD2-CD1 3.72Å; L372-K409 HydrophobicContact CD1-CB 3.98Å; L372-K409 HydrophobicContact CD1-CG 4.41Å; L372-K409 HydrophobicContact CD2-CB 4.1Å; L372-L410 HydrophobicContact CD2-CD2 3.73Å; L372-L410 HydrophobicContact CD2-CG 4.18Å; L372-M413 HydrophobicContact CB-SD 4Å; L372-M413 HydrophobicContact CD1-SD 4.29Å
373G97.3Very high94.1Very high0 Ų09.2 Ų9.20%05%0.053CC..EExtended strand (participates in β ladder)trans-83.4135.1-179.900000112.3S354 D394 V395 L396S354-G373 CarbonylContact O-C 3.55Å; S354-G373 VanDerWaalsContact O-CA 3.27Å; S354-G373 WeakPolarHBondContact O-CA 3.21Å; G373-D394 PolarHBondContact N-O 2.87Å; G373-V395 CarbonylContact O-C 3.59Å; G373-V395 WeakPolarHBondContact O-CA 3.24Å; G373-L396 PolarHBondContact O-N 2.78Å
374I95.8Very high94.3Very high0 Ų08.4 Ų8.40%05%0.049CC..  trans-128.277.1172-50.5-179.7000108.9F285 F302 I353 S354 H355 L376 L396 I398 L401F285-I374 HydrophobicContact CE1-CB 4.19Å; F285-I374 HydrophobicContact CE1-CD1 4.14Å; F285-I374 HydrophobicContact CZ-CD1 4.28Å; F302-I374 HydrophobicContact CE1-CD1 4.01Å; F302-I374 HydrophobicContact CZ-CD1 4.07Å; I353-I374 HydrophobicContact CG2-CD1 3.81Å; I353-I374 HydrophobicContact CG2-CG1 4.34Å; S354-I374 PolarHBondContact O-N 3.41Å; H355-I374 VanDerWaalsContact CA-O 3.29Å; H355-I374 WeakPolarHBondContact CA-O 3.39Å; I374-L376 HydrophobicContact CG2-CD2 4.44Å; I374-L376 WeakPolarHBondContact O-CG 3.23Å; I374-L396 WeakPolarHBondContact CA-O 3.44Å; I374-L396 HydrophobicContact CG1-CB 4.37Å; I374-L396 HydrophobicContact CG2-CD2 4.46Å; I374-I398 HydrophobicContact CG2-CD1 4.2Å; I374-L401 HydrophobicContact CD1-CD1 4.18Å; I374-L401 HydrophobicContact CG2-CD1 4.2Å
375P94.1Very high94.2Very high1 Ų19.4 Ų9.41%0.0066%0.059CC..  trans-62.8138.8-174-25.638.1000113.4H355 Q380 M381 V384 V395H355-P375 WeakPolarHBondContact O-CA 3.22Å; P375-Q380 HydrophobicContact CB-CB 3.85Å; P375-M381 HydrophobicContact CB-CB 4.4Å; P375-M381 HydrophobicContact CB-CG 3.71Å; P375-M381 HydrophobicContact CB-SD 3.39Å; P375-M381 WeakPolarHBondContact CB-SD 3.3Å; P375-M381 HydrophobicContact CG-CG 4.23Å; P375-M381 HydrophobicContact CG-SD 3.45Å; P375-M381 WeakPolarHBondContact CG-SD 3.32Å; P375-V384 HydrophobicContact CG-CB 4.09Å; P375-V384 HydrophobicContact CG-CG2 3.93Å; P375-V395 HydrophobicContact CG-CG2 4.2Å
376L92.6Very high94.2Very high2 Ų29.6 Ų9.61%0.016%0.06CC..  trans-124-24.4-173.6-58.4-179.3000113.7I70 W71 P74 F285 A289 H355 I374 I398I70-L376 HydrophobicContact CB-CB 4.17Å; I70-L376 WeakPolarHBondContact CB-O 3.45Å; I70-L376 HydrophobicContact CD1-CD1 4.5Å; W71-L376 HydrophobicContact CE3-CD1 4.27Å; W71-L376 HydrophobicContact CE3-CD2 3.93Å; W71-L376 HydrophobicContact CH2-CD1 3.86Å; W71-L376 HydrophobicContact CZ2-CD1 4.34Å; W71-L376 HydrophobicContact CZ3-CD1 3.83Å; W71-L376 HydrophobicContact CZ3-CD2 3.97Å; P74-L376 VanDerWaalsContact CA-O 3.31Å; P74-L376 WeakPolarHBondContact CA-O 3.49Å; F285-L376 HydrophobicContact CD1-CD1 4.24Å; A289-L376 HydrophobicContact CB-CD1 3.78Å; H355-L376 HydrophobicContact CB-CD1 4.11Å; H355-L376 HydrophobicContact CB-CG 4.13Å; I374-L376 HydrophobicContact CG2-CD2 4.44Å; I374-L376 WeakPolarHBondContact O-CG 3.23Å; L376-I398 HydrophobicContact CD2-CB 4.09Å; L376-I398 HydrophobicContact CD2-CD1 4.25Å; L376-I398 HydrophobicContact CD2-CG1 4.01Å; L376-I398 HydrophobicContact CD2-CG2 4.47Å
377Q91.3Very high94.5Very high52 Ų529.1 Ų9.124%0.2436%0.058CC..BIsolated β-bridgetrans-165.4165.6179.959.5178.321.400113I70 V75 D379 Q380I70-Q377 HydrophobicContact CG2-CB 3.93Å; I70-Q377 HydrophobicContact CG2-CG 4.39Å; V75-Q377 HydrophobicContact CB-CB 4.31Å; V75-Q377 CarbonylContact O-C 3.46Å; Q377-D379 PolarHBondContact O-N 3.34Å; Q377-Q380 WeakPolarHBondContact O-CB 3.47Å; Q377-Q380 WeakPolarHBondContact O-CG 3.47Å; Q377-Q380 PolarHBondContact O-N 2.89Å; Q377-Q380 PolarHBondContact O-OE1 2.96Å
378G90.3Very high94.6Very high20 Ų2010.3 Ų10.321%0.2067%0.066CC..THydrogen-bonded Turntrans54.5-129.4168.300000113.9V75 Q380V75-G378 PolarHBondContact O-N 3.16Å; G378-Q380 VanDerWaalsContact C-N 3.27Å; G378-Q380 PolarHBondContact O-N 3.35Å
379D91.7Very high94.6Very high13 Ų1312.4 Ų12.47%0.077%0.074CC..THydrogen-bonded Turntrans-77.4-3.9-177.961.1-46.6000114.7Y149 P150 V171 Q377 M381 Y382 N383Y149-D379 HydrophobicContact CD1-CB 3.86Å; Y149-D379 VanDerWaalsContact CD1-CG 3.45Å; Y149-D379 WeakPolarHBondContact CD1-OD1 3.12Å; Y149-D379 HydrophobicContact CE1-CB 4.45Å; Y149-D379 WeakPolarHBondContact CE1-OD1 3.47Å; P150-D379 WeakPolarHBondContact CD-OD2 3.4Å; P150-D379 HydrophobicContact CG-CB 3.67Å; V171-D379 HydrophobicContact CG1-CB 3.6Å; Q377-D379 PolarHBondContact O-N 3.34Å; D379-M381 VanDerWaalsContact C-N 3.28Å; D379-M381 PolarHBondContact O-N 2.84Å; D379-Y382 WeakPolarHBondContact O-CA 3.48Å; D379-Y382 VanDerWaalsContact O-CB 3.25Å; D379-Y382 WeakPolarHBondContact O-CB 3.35Å; D379-Y382 PolarHBondContact O-N 3Å; D379-N383 PolarHBondContact O-N 3.11Å; D379-N383 PolarHBondContact OD2-ND2 3.44Å
380Q93.8Very high94.5Very high9 Ų915.9 Ų15.94%0.0429%0.088CC..Hα-helixtrans-63.6-35.3-170.4-66.5169.313.300112.9H355 P375 Q377 G378 Y382 N383 V384H355-Q380 PolarHBondContact CD2-NE2 3.33Å; H355-Q380 WeakPolarHBondContact O-CB 3.47Å; P375-Q380 HydrophobicContact CB-CB 3.85Å; Q377-Q380 WeakPolarHBondContact O-CB 3.47Å; Q377-Q380 WeakPolarHBondContact O-CG 3.47Å; Q377-Q380 PolarHBondContact O-N 2.89Å; Q377-Q380 PolarHBondContact O-OE1 2.96Å; G378-Q380 VanDerWaalsContact C-N 3.27Å; G378-Q380 PolarHBondContact O-N 3.35Å; Q380-Y382 VanDerWaalsContact C-N 3.32Å; Q380-N383 PolarHBondContact O-N 3.47Å; Q380-V384 WeakPolarHBondContact O-CB 3.35Å; Q380-V384 WeakPolarHBondContact O-CG2 3.41Å; Q380-V384 PolarHBondContact O-N 3.23Å
381M92.1Very high94.4Very high17 Ų1716.5 Ų16.58%0.08410%0.095CC..Hα-helixtrans-61.4-43.6173.2-79.7-60.8-46.100111.1P74 P174 P375 D379 G385 H397P74-M381 HydrophobicContact CG-CG 4.26Å; P174-M381 HydrophobicContact CB-CE 4Å; P375-M381 HydrophobicContact CB-CB 4.4Å; P375-M381 HydrophobicContact CB-CG 3.71Å; P375-M381 HydrophobicContact CB-SD 3.39Å; P375-M381 WeakPolarHBondContact CB-SD 3.3Å; P375-M381 HydrophobicContact CG-CG 4.23Å; P375-M381 HydrophobicContact CG-SD 3.45Å; P375-M381 WeakPolarHBondContact CG-SD 3.32Å; D379-M381 VanDerWaalsContact C-N 3.28Å; D379-M381 PolarHBondContact O-N 2.84Å; M381-G385 PolarHBondContact O-N 2.69Å; M381-H397 WeakPolarHBondContact CE-CE1 3.42Å
382Y93.4Very high94.4Very high1 Ų116.5 Ų16.50%0.00410%0.095CC..Hα-helixtrans-61.7-54.2176.4-176.6-85.4000110.5P150 P169 V171 L232 D237 G238 D379 Q380 V384 G385 R386P150-Y382 HydrophobicContact CB-CD1 3.97Å; P150-Y382 HydrophobicContact CB-CE1 3.89Å; P150-Y382 HydrophobicContact CG-CD1 3.94Å; P150-Y382 HydrophobicContact CG-CE1 4.33Å; P169-Y382 HydrophobicContact CB-CE2 4.16Å; P169-Y382 WeakPolarHBondContact O-CE2 3.48Å; V171-Y382 HydrophobicContact CB-CD2 4.38Å; V171-Y382 HydrophobicContact CG2-CD2 4.02Å; V171-Y382 HydrophobicContact CG2-CE2 4.18Å; V171-Y382 HydrophobicContact CG2-CG 4.28Å; V171-Y382 WeakPolarHBondContact O-CB 3.45Å; L232-Y382 HydrophobicContact CD2-CE1 4.44Å; D237-Y382 PolarHBondContact OD1-OH 3.45Å; G238-Y382 PolarHBondContact N-OH 3.08Å; D379-Y382 WeakPolarHBondContact O-CA 3.48Å; D379-Y382 VanDerWaalsContact O-CB 3.25Å; D379-Y382 WeakPolarHBondContact O-CB 3.35Å; D379-Y382 PolarHBondContact O-N 3Å; Q380-Y382 VanDerWaalsContact C-N 3.32Å; Y382-V384 PolarHBondContact O-N 3.36Å; Y382-G385 PolarHBondContact O-N 2.72Å; Y382-G385 VanDerWaalsContact O-N 3.1Å; Y382-R386 HydrophobicContact CD1-CG 4.01Å; Y382-R386 HydrophobicContact CE1-CG 3.76Å; Y382-R386 VanDerWaalsContact O-CG 3.3Å; Y382-R386 WeakPolarHBondContact O-CG 3.23Å; Y382-R386 PolarHBondContact O-N 3.29Å
383N94.2Very high94.3Very high2 Ų216.7 Ų16.71%0.01110%0.096CC..Hα-helixtrans-57-48.8-176.8-62.7-19.5000112.2G356 M358 T361 D379 Q380 R386 L387G356-N383 VanDerWaalsContact O-CB 3.24Å; G356-N383 WeakPolarHBondContact O-CB 3.43Å; G356-N383 PolarHBondContact O-ND2 2.84Å; M358-N383 PolarHBondContact N-ND2 2.83Å; T361-N383 HydrophobicContact CG2-CB 4.38Å; D379-N383 PolarHBondContact O-N 3.11Å; D379-N383 PolarHBondContact OD2-ND2 3.44Å; Q380-N383 PolarHBondContact O-N 3.47Å; N383-R386 PolarHBondContact O-N 3.5Å; N383-L387 PolarHBondContact O-N 2.76Å
384V95.2Very high94.3Very high0 Ų017.2 Ų17.20%010%0.099CC..Hα-helixtrans-65-43.5176.5174.90000110.7M371 P375 Q380 Y382 R386 L387 V388 V395M371-V384 HydrophobicContact SD-CG2 4.48Å; P375-V384 HydrophobicContact CG-CB 4.09Å; P375-V384 HydrophobicContact CG-CG2 3.93Å; Q380-V384 WeakPolarHBondContact O-CB 3.35Å; Q380-V384 WeakPolarHBondContact O-CG2 3.41Å; Q380-V384 PolarHBondContact O-N 3.23Å; Y382-V384 PolarHBondContact O-N 3.36Å; V384-R386 VanDerWaalsContact C-N 3.28Å; V384-R386 PolarHBondContact O-N 2.66Å; V384-L387 WeakPolarHBondContact O-CB 3.4Å; V384-L387 PolarHBondContact O-N 3.32Å; V384-V388 HydrophobicContact CG1-CG2 4.17Å; V384-V388 WeakPolarHBondContact O-CG2 3.47Å; V384-V388 PolarHBondContact O-N 3.27Å; V384-V395 HydrophobicContact CG1-CB 3.78Å; V384-V395 HydrophobicContact CG1-CG2 3.82Å
385G94Very high94.3Very high21 Ų2118.8 Ų18.822%0.21611%0.109CC..Hα-helixtrans-56.4-41.4178.600000112.7M381 Y382 L387 V388 E389M381-G385 PolarHBondContact O-N 2.69Å; Y382-G385 PolarHBondContact O-N 2.72Å; Y382-G385 VanDerWaalsContact O-N 3.1Å; G385-L387 VanDerWaalsContact C-N 3.34Å; G385-L387 PolarHBondContact O-N 3.24Å; G385-V388 PolarHBondContact O-N 3.24Å; G385-E389 WeakPolarHBondContact O-CG 3.45Å; G385-E389 PolarHBondContact O-N 2.79Å
386R94.1Very high94.3Very high4 Ų418.9 Ų18.92%0.01511%0.109CC..Hα-helixtrans-62-39.5174.9-63-64.490.1724.8112.2T175 L236 Y382 N383 V384 E389 K390T175-R386 PolarHBondContact O-NH2 3.11Å; L236-R386 WeakPolarHBondContact O-CB 3.32Å; L236-R386 WeakPolarHBondContact O-CD 3.2Å; L236-R386 WeakPolarHBondContact O-CG 3.33Å; Y382-R386 HydrophobicContact CD1-CG 4.01Å; Y382-R386 HydrophobicContact CE1-CG 3.76Å; Y382-R386 VanDerWaalsContact O-CG 3.3Å; Y382-R386 WeakPolarHBondContact O-CG 3.23Å; Y382-R386 PolarHBondContact O-N 3.29Å; N383-R386 PolarHBondContact O-N 3.5Å; V384-R386 VanDerWaalsContact C-N 3.28Å; V384-R386 PolarHBondContact O-N 2.66Å; R386-E389 IonicContact CZ-OE1 3.69Å; R386-E389 VanDerWaalsContact CZ-OE1 3.26Å; R386-E389 IonicContact NE-OE1 2.94Å; R386-E389 PolarHBondContact NE-OE1 3.13Å; R386-E389 IonicContact NE-OE2 3.51Å; R386-E389 IonicContact NH2-OE1 3.69Å; R386-E389 PolarHBondContact NH2-OE1 3.09Å; R386-E389 PolarHBondContact O-N 2.97Å; R386-K390 WeakPolarHBondContact O-CG 3.46Å; R386-K390 PolarHBondContact O-N 3.02Å
387L96Very high94.2Very high2 Ų222.1 Ų22.11%0.0112%0.124CC..Hα-helixtrans-69-37.1174.3-63.8-165.2000113L236 T361 V365 M371 N383 V384 G385 E389 K390 G391 V392 A393L236-L387 HydrophobicContact CD1-CD2 3.89Å; L236-L387 HydrophobicContact CD2-CD2 3.67Å; L236-L387 HydrophobicContact CG-CD2 4.42Å; T361-L387 HydrophobicContact CG2-CD1 3.67Å; T361-L387 HydrophobicContact CG2-CD2 4.03Å; T361-L387 HydrophobicContact CG2-CG 3.82Å; V365-L387 HydrophobicContact CG2-CD1 4.24Å; V365-L387 HydrophobicContact CG2-CD2 3.49Å; V365-L387 VanDerWaalsContact CG2-CD2 3.49Å; M371-L387 HydrophobicContact CB-CD1 4.18Å; M371-L387 HydrophobicContact CE-CD1 4.2Å; M371-L387 HydrophobicContact SD-CD1 4.08Å; N383-L387 PolarHBondContact O-N 2.76Å; V384-L387 WeakPolarHBondContact O-CB 3.4Å; V384-L387 PolarHBondContact O-N 3.32Å; G385-L387 VanDerWaalsContact C-N 3.34Å; G385-L387 PolarHBondContact O-N 3.24Å; L387-E389 VanDerWaalsContact C-N 3.35Å; L387-K390 PolarHBondContact O-N 3.23Å; L387-G391 PolarHBondContact O-N 3.3Å; L387-G391 VanDerWaalsContact O-N 3.12Å; L387-V392 HydrophobicContact CB-CG2 3.89Å; L387-V392 HydrophobicContact CD2-CG2 3.96Å; L387-V392 HydrophobicContact CG-CG2 4.37Å; L387-V392 WeakPolarHBondContact O-CG2 3.38Å; L387-V392 PolarHBondContact O-N 3.18Å; L387-A393 HydrophobicContact CB-CB 3.42Å; L387-A393 VanDerWaalsContact CB-CB 3.42Å; L387-A393 HydrophobicContact CD1-CB 4.23Å; L387-A393 HydrophobicContact CG-CB 4.5Å; L387-A393 PolarHBondContact O-N 3.44Å
388V95.7Very high94.2Very high53 Ų5320 Ų2032%0.32112%0.115SC..Hα-helixtrans-62.2-43.6175.6171.70000110.3V384 G385 K390 G391 A393 V395V384-V388 HydrophobicContact CG1-CG2 4.17Å; V384-V388 WeakPolarHBondContact O-CG2 3.47Å; V384-V388 PolarHBondContact O-N 3.27Å; G385-V388 PolarHBondContact O-N 3.24Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 2.91Å; V388-G391 WeakPolarHBondContact O-CA 3.39Å; V388-G391 PolarHBondContact O-N 3.09Å; V388-A393 HydrophobicContact CG2-CB 4.14Å; V388-V395 HydrophobicContact CG2-CB 4.16Å; V388-V395 HydrophobicContact CG2-CG1 4.26Å
389E94Very high93.9Very high56 Ų5623.4 Ų23.426%0.26214%0.135SC..Hα-helixtrans-58.5-39.1174.8-75.9173.1-151.800112.8S176 S177 G385 R386 L387 G391S176-E389 VanDerWaalsContact C-OE1 3.32Å; S176-E389 WeakPolarHBondContact CA-OE1 3.23Å; S176-E389 WeakPolarHBondContact CB-OE1 3.43Å; S177-E389 WeakPolarHBondContact CB-OE2 3.45Å; S177-E389 PolarHBondContact N-OE1 3.42Å; S177-E389 PolarHBondContact OG-OE2 2.98Å; G385-E389 WeakPolarHBondContact O-CG 3.45Å; G385-E389 PolarHBondContact O-N 2.79Å; R386-E389 IonicContact CZ-OE1 3.69Å; R386-E389 VanDerWaalsContact CZ-OE1 3.26Å; R386-E389 IonicContact NE-OE1 2.94Å; R386-E389 PolarHBondContact NE-OE1 3.13Å; R386-E389 IonicContact NE-OE2 3.51Å; R386-E389 IonicContact NH2-OE1 3.69Å; R386-E389 PolarHBondContact NH2-OE1 3.09Å; R386-E389 PolarHBondContact O-N 2.97Å; L387-E389 VanDerWaalsContact C-N 3.35Å; E389-G391 PolarHBondContact O-N 2.76Å
390K94.6Very high93.6Very high79 Ų7924.6 Ų24.634%0.34315%0.15SC..Hα-helixtrans-73.7-10.9174.7-56.5-42.4-178.6-1660112.5L235 L236 R386 L387 V388 V392 K437 L441L235-K390 WeakPolarHBondContact O-CE 3.46Å; L235-K390 PolarHBondContact O-NZ 2.85Å; L236-K390 HydrophobicContact CD2-CG 4.24Å; R386-K390 WeakPolarHBondContact O-CG 3.46Å; R386-K390 PolarHBondContact O-N 3.02Å; L387-K390 PolarHBondContact O-N 3.23Å; V388-K390 VanDerWaalsContact C-N 3.29Å; V388-K390 PolarHBondContact O-N 2.91Å; K390-V392 HydrophobicContact CB-CG1 4.36Å; K390-V392 HydrophobicContact CB-CG2 4.26Å; K390-K437 WeakPolarHBondContact O-CD 3.38Å; K390-L441 HydrophobicContact CB-CD2 4.33Å; K390-L441 HydrophobicContact CG-CD2 4.42Å
391G95.7Very high93.6Very high14 Ų1424.2 Ų24.214%0.14415%0.148CC..THydrogen-bonded Turntrans70.831.1-178.100000113.2L387 V388 E389 Y434 K437L387-G391 PolarHBondContact O-N 3.3Å; L387-G391 VanDerWaalsContact O-N 3.12Å; V388-G391 WeakPolarHBondContact O-CA 3.39Å; V388-G391 PolarHBondContact O-N 3.09Å; E389-G391 PolarHBondContact O-N 2.76Å; G391-Y434 VanDerWaalsContact O-CD1 3.31Å; G391-Y434 WeakPolarHBondContact O-CD1 3.27Å; G391-K437 WeakPolarHBondContact O-CD 3.25Å
392V97.2Very high93.9Very high1 Ų126.2 Ų26.21%0.00616%0.161CC..SBendtrans-112.8-1.8178.1-55.50000112.7P370 M371 L387 K390 K437 I438 L441P370-V392 WeakPolarHBondContact CA-O 3.42Å; M371-V392 PolarHBondContact N-O 3.3Å; L387-V392 HydrophobicContact CB-CG2 3.89Å; L387-V392 HydrophobicContact CD2-CG2 3.96Å; L387-V392 HydrophobicContact CG-CG2 4.37Å; L387-V392 WeakPolarHBondContact O-CG2 3.38Å; L387-V392 PolarHBondContact O-N 3.18Å; K390-V392 HydrophobicContact CB-CG1 4.36Å; K390-V392 HydrophobicContact CB-CG2 4.26Å; V392-K437 HydrophobicContact CG1-CB 3.75Å; V392-I438 HydrophobicContact CB-CB 4.11Å; V392-I438 HydrophobicContact CB-CD1 3.55Å; V392-I438 HydrophobicContact CB-CG1 4.37Å; V392-I438 HydrophobicContact CG1-CB 3.99Å; V392-I438 HydrophobicContact CG1-CD1 3.89Å; V392-I438 HydrophobicContact CG2-CD1 3.78Å; V392-L441 HydrophobicContact CG1-CD2 4.13Å; V392-L441 HydrophobicContact CG2-CD2 3.92Å
393A97.8Very high94.1Very high3 Ų327.2 Ų27.23%0.02517%0.17CC..EExtended strand (participates in β ladder)trans-136.9162.5173.600000111.9M371 L387 V388 Y434M371-A393 HydrophobicContact CB-CB 4.2Å; M371-A393 CarbonylContact O-C 3.48Å; M371-A393 WeakPolarHBondContact O-CA 3.47Å; M371-A393 WeakPolarHBondContact O-CB 3.38Å; L387-A393 HydrophobicContact CB-CB 3.42Å; L387-A393 VanDerWaalsContact CB-CB 3.42Å; L387-A393 HydrophobicContact CD1-CB 4.23Å; L387-A393 HydrophobicContact CG-CB 4.5Å; L387-A393 PolarHBondContact O-N 3.44Å; V388-A393 HydrophobicContact CG2-CB 4.14Å; A393-Y434 WeakPolarHBondContact O-CE1 3.4Å
394D96.8Very high94.2Very high12 Ų1234.2 Ų34.26%0.06420%0.203CC..EExtended strand (participates in β ladder)trans-121.4160.9159-153.8-22000107.9M371 L372 G373 K409 R412 M413M371-D394 PolarHBondContact O-N 2.95Å; L372-D394 WeakPolarHBondContact CA-O 3.43Å; L372-D394 HydrophobicContact CD1-CB 4.2Å; G373-D394 PolarHBondContact N-O 2.87Å; D394-K409 HydrophobicContact CB-CD 4.32Å; D394-K409 IonicContact OD1-NZ 3.79Å; D394-K409 PolarHBondContact OD1-NZ 3.34Å; D394-K409 WeakPolarHBondContact OD2-CD 3.47Å; D394-K409 IonicContact OD2-NZ 2.66Å; D394-K409 PolarHBondContact OD2-NZ 2.66Å; D394-R412 IonicContact OD2-CZ 3.93Å; D394-R412 IonicContact OD2-NH1 2.89Å; D394-R412 PolarHBondContact OD2-NH1 2.94Å; D394-M413 HydrophobicContact CB-CE 4.37Å; D394-M413 HydrophobicContact CB-SD 3.68Å
395V95.2Very high94.2Very high33 Ų3337.1 Ų37.120%0.222%0.218CC..EExtended strand (participates in β ladder)trans-122.4144.7-17863.60000110.8G373 P375 V384 V388 K409G373-V395 CarbonylContact O-C 3.59Å; G373-V395 WeakPolarHBondContact O-CA 3.24Å; P375-V395 HydrophobicContact CG-CG2 4.2Å; V384-V395 HydrophobicContact CG1-CB 3.78Å; V384-V395 HydrophobicContact CG1-CG2 3.82Å; V388-V395 HydrophobicContact CG2-CB 4.16Å; V388-V395 HydrophobicContact CG2-CG1 4.26Å; V395-K409 PolarHBondContact O-NZ 3.4Å
396L94.5Very high94.4Very high2 Ų236.1 Ų36.11%0.0121%0.207CC..  trans-132.7121.5171.4-174157.5000108.5L372 G373 I374 L401 L405 L406 K409L372-L396 HydrophobicContact CD1-CB 4.41Å; G373-L396 PolarHBondContact O-N 2.78Å; I374-L396 WeakPolarHBondContact CA-O 3.44Å; I374-L396 HydrophobicContact CG1-CB 4.37Å; I374-L396 HydrophobicContact CG2-CD2 4.46Å; L396-L401 HydrophobicContact CD2-CB 3.64Å; L396-L401 HydrophobicContact CD2-CD1 3.62Å; L396-L401 HydrophobicContact CD2-CG 3.56Å; L396-L405 HydrophobicContact CD1-CB 4.41Å; L396-L405 HydrophobicContact CD1-CD2 4.15Å; L396-L405 HydrophobicContact CD1-CG 3.9Å; L396-L405 HydrophobicContact CG-CD2 4.1Å; L396-L405 HydrophobicContact CG-CG 4.36Å; L396-L406 HydrophobicContact CD1-CB 4.12Å; L396-L406 HydrophobicContact CD1-CD1 4.31Å; L396-K409 HydrophobicContact CD1-CG 4.34Å
397H91.4Very high94.5Very high70 Ų7036.1 Ų36.132%0.32421%0.208SC..  trans-79.7134.7179-66.5-95000110.9M381 S399 G400 L401M381-H397 WeakPolarHBondContact CE-CE1 3.42Å; H397-S399 VanDerWaalsContact C-N 3.26Å; H397-S399 PolarHBondContact O-N 3.43Å; H397-G400 PolarHBondContact O-N 3.29Å; H397-G400 VanDerWaalsContact O-N 3.1Å; H397-L401 PolarHBondContact O-N 3.22Å
398I89.9Confident94.3Very high9 Ų942.5 Ų42.55%0.04624%0.236CC..G310 helixtrans-60.6-34.6-175.8-166.660.3000113.1W71 V298 I374 L376 G400 L401W71-I398 HydrophobicContact CE3-CD1 3.97Å; W71-I398 HydrophobicContact CE3-CG1 4.35Å; W71-I398 HydrophobicContact CZ3-CD1 4.37Å; W71-I398 WeakPolarHBondContact O-CG1 3.43Å; V298-I398 HydrophobicContact CG1-CD1 4.09Å; V298-I398 HydrophobicContact CG2-CD1 3.95Å; I374-I398 HydrophobicContact CG2-CD1 4.2Å; L376-I398 HydrophobicContact CD2-CB 4.09Å; L376-I398 HydrophobicContact CD2-CD1 4.25Å; L376-I398 HydrophobicContact CD2-CG1 4.01Å; L376-I398 HydrophobicContact CD2-CG2 4.47Å; I398-G400 PolarHBondContact O-N 3.19Å; I398-L401 HydrophobicContact CD1-CB 4.23Å; I398-L401 HydrophobicContact CD1-CD1 3.69Å; I398-L401 WeakPolarHBondContact O-CB 3.22Å; I398-L401 PolarHBondContact O-N 3.47Å; I398-L401 VanDerWaalsContact O-N 3.17Å
399S84.8Confident94.3Very high90 Ų9041.9 Ų41.963%0.62923%0.229SC*.G310 helixtrans-62.3-23.4178.152.90000114.1H397H397-S399 VanDerWaalsContact C-N 3.26Å; H397-S399 PolarHBondContact O-N 3.43Å
400G86.1Confident94.4Very high38 Ų3839.2 Ų39.239%0.39222%0.216SC..G310 helixtrans-112.915.4178.300000113.6H397 I398 T402 L405H397-G400 PolarHBondContact O-N 3.29Å; H397-G400 VanDerWaalsContact O-N 3.1Å; I398-G400 PolarHBondContact O-N 3.19Å; G400-T402 PolarHBondContact O-N 3.34Å; G400-L405 WeakPolarHBondContact O-CD2 3.5Å
401L93.6Very high94.2Very high1 Ų139.9 Ų39.91%0.00522%0.217CC..  trans-71117.9-174.7-168.7156000110.9V298 F302 I374 L396 H397 I398V298-L401 HydrophobicContact CG1-CD1 4.36Å; V298-L401 HydrophobicContact CG1-CD2 4.36Å; F302-L401 HydrophobicContact CZ-CD1 4.23Å; I374-L401 HydrophobicContact CD1-CD1 4.18Å; I374-L401 HydrophobicContact CG2-CD1 4.2Å; L396-L401 HydrophobicContact CD2-CB 3.64Å; L396-L401 HydrophobicContact CD2-CD1 3.62Å; L396-L401 HydrophobicContact CD2-CG 3.56Å; H397-L401 PolarHBondContact O-N 3.22Å; I398-L401 HydrophobicContact CD1-CB 4.23Å; I398-L401 HydrophobicContact CD1-CD1 3.69Å; I398-L401 WeakPolarHBondContact O-CB 3.22Å; I398-L401 PolarHBondContact O-N 3.47Å; I398-L401 VanDerWaalsContact O-N 3.17Å
402T96.6Very high94Very high59 Ų5944.6 Ų44.636%0.36223%0.23SC..  trans-130.1157.817168.80000110.1G400 E404 L405 L406G400-T402 PolarHBondContact O-N 3.34Å; T402-E404 PolarHBondContact O-N 2.96Å; T402-L405 PolarHBondContact O-N 2.77Å; T402-L405 WeakPolarHBondContact OG1-CB 3.38Å; T402-L405 PolarHBondContact OG1-N 3.43Å; T402-L405 VanDerWaalsContact OG1-N 3.14Å; T402-L406 WeakPolarHBondContact O-CB 3.45Å; T402-L406 PolarHBondContact O-N 3.31Å
403A97.7Very high93.8Very high22 Ų2244.6 Ų44.618%0.18223%0.23CC..Hα-helixtrans-53.4-44.3173.100000111.7S301 T304 L406 S407S301-A403 PolarHBondContact OG-N 3.13Å; T304-A403 HydrophobicContact CG2-CB 3.68Å; A403-L406 PolarHBondContact O-N 3.29Å; A403-S407 VanDerWaalsContact O-CB 3.28Å; A403-S407 WeakPolarHBondContact O-CB 3.23Å; A403-S407 PolarHBondContact O-N 3.16Å; A403-S407 PolarHBondContact O-OG 3.09Å; A403-S407 VanDerWaalsContact O-OG 3.11Å
404E97Very high93.6Very high150 Ų15044.6 Ų44.670%0.70123%0.23SC*.Hα-helixtrans-62.5-48.9-179-170.9-168.3160.200111.9T402 S407 K408T402-E404 PolarHBondContact O-N 2.96Å; E404-S407 PolarHBondContact O-N 3.23Å; E404-K408 VanDerWaalsContact O-CB 3.29Å; E404-K408 WeakPolarHBondContact O-CB 3.32Å; E404-K408 PolarHBondContact O-N 3.25Å
405L96.3Very high92.7Very high60 Ų6046.4 Ų46.431%0.31424%0.242SC..Hα-helixtrans-65.7-42.3-179-175.961.2000111.1L396 G400 T402 K408 K409L396-L405 HydrophobicContact CD1-CB 4.41Å; L396-L405 HydrophobicContact CD1-CD2 4.15Å; L396-L405 HydrophobicContact CD1-CG 3.9Å; L396-L405 HydrophobicContact CG-CD2 4.1Å; L396-L405 HydrophobicContact CG-CG 4.36Å; G400-L405 WeakPolarHBondContact O-CD2 3.5Å; T402-L405 PolarHBondContact O-N 2.77Å; T402-L405 WeakPolarHBondContact OG1-CB 3.38Å; T402-L405 PolarHBondContact OG1-N 3.43Å; T402-L405 VanDerWaalsContact OG1-N 3.14Å; L405-K408 PolarHBondContact O-N 3.38Å; L405-K409 VanDerWaalsContact O-CG 3.28Å; L405-K409 WeakPolarHBondContact O-CG 3.49Å; L405-K409 PolarHBondContact O-N 2.86Å
406L97.7Very high91.3Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-61.3-50.8175.8178.257.2000110.8F302 A305 L372 L396 T402 A403 K408 K409 L410F302-L406 HydrophobicContact CD1-CD2 3.49Å; F302-L406 VanDerWaalsContact CD1-CD2 3.49Å; F302-L406 HydrophobicContact CE1-CD2 3.83Å; F302-L406 HydrophobicContact CG-CD2 4.47Å; A305-L406 HydrophobicContact CB-CB 4.11Å; A305-L406 HydrophobicContact CB-CD2 3.55Å; A305-L406 HydrophobicContact CB-CG 3.67Å; L372-L406 HydrophobicContact CD2-CD1 3.72Å; L396-L406 HydrophobicContact CD1-CB 4.12Å; L396-L406 HydrophobicContact CD1-CD1 4.31Å; T402-L406 WeakPolarHBondContact O-CB 3.45Å; T402-L406 PolarHBondContact O-N 3.31Å; A403-L406 PolarHBondContact O-N 3.29Å; L406-K408 VanDerWaalsContact C-N 3.3Å; L406-K408 PolarHBondContact O-N 3.4Å; L406-K409 PolarHBondContact O-N 2.94Å; L406-K409 VanDerWaalsContact O-N 3.17Å; L406-L410 HydrophobicContact CD1-CD1 3.83Å; L406-L410 HydrophobicContact CD1-CG 4.01Å; L406-L410 HydrophobicContact CG-CD1 3.81Å; L406-L410 HydrophobicContact CG-CG 4.4Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.21Å; L406-L410 PolarHBondContact O-N 2.61Å
407S95.3Very high89.9Confident4 Ų449.8 Ų49.83%0.02827%0.267CS..Hα-helixtrans-58.5-40.7176.4-72.40000112.5A305 Q308 A403 E404 L410 R411A305-S407 WeakPolarHBondContact CA-OG 3.22Å; A305-S407 WeakPolarHBondContact CB-OG 3.29Å; Q308-S407 PolarHBondContact OE1-OG 3.2Å; A403-S407 VanDerWaalsContact O-CB 3.28Å; A403-S407 WeakPolarHBondContact O-CB 3.23Å; A403-S407 PolarHBondContact O-N 3.16Å; A403-S407 PolarHBondContact O-OG 3.09Å; A403-S407 VanDerWaalsContact O-OG 3.11Å; E404-S407 PolarHBondContact O-N 3.23Å; S407-L410 PolarHBondContact O-N 3.17Å; S407-R411 WeakPolarHBondContact O-CB 3.35Å; S407-R411 WeakPolarHBondContact O-CG 3.45Å; S407-R411 PolarHBondContact O-N 3.44Å
408K92.9Very high88.2Confident136 Ų13651.2 Ų51.259%0.59129%0.291SS*.Hα-helixtrans-61-44.5176.2-178.4178.4-179.4175.20111.7E404 L405 L406 R412E404-K408 VanDerWaalsContact O-CB 3.29Å; E404-K408 WeakPolarHBondContact O-CB 3.32Å; E404-K408 PolarHBondContact O-N 3.25Å; L405-K408 PolarHBondContact O-N 3.38Å; L406-K408 VanDerWaalsContact C-N 3.3Å; L406-K408 PolarHBondContact O-N 3.4Å; K408-R412 PolarHBondContact O-N 2.99Å
409K95.2Very high86.5Confident41 Ų4157.9 Ų57.918%0.17833%0.326CS..Hα-helixtrans-66.6-45.1177.3-68.1-78.1-180171.30111.5L372 D394 V395 L396 L405 L406 R412 M413L372-K409 HydrophobicContact CD1-CB 3.98Å; L372-K409 HydrophobicContact CD1-CG 4.41Å; L372-K409 HydrophobicContact CD2-CB 4.1Å; D394-K409 HydrophobicContact CB-CD 4.32Å; D394-K409 IonicContact OD1-NZ 3.79Å; D394-K409 PolarHBondContact OD1-NZ 3.34Å; D394-K409 WeakPolarHBondContact OD2-CD 3.47Å; D394-K409 IonicContact OD2-NZ 2.66Å; D394-K409 PolarHBondContact OD2-NZ 2.66Å; V395-K409 PolarHBondContact O-NZ 3.4Å; L396-K409 HydrophobicContact CD1-CG 4.34Å; L405-K409 VanDerWaalsContact O-CG 3.28Å; L405-K409 WeakPolarHBondContact O-CG 3.49Å; L405-K409 PolarHBondContact O-N 2.86Å; L406-K409 PolarHBondContact O-N 2.94Å; L406-K409 VanDerWaalsContact O-N 3.17Å; K409-R412 WeakPolarHBondContact O-CB 3.46Å; K409-R412 PolarHBondContact O-N 3.39Å; K409-R412 VanDerWaalsContact O-N 3.16Å; K409-M413 WeakPolarHBondContact O-CG 3.39Å; K409-M413 PolarHBondContact O-N 2.95Å
410L95.1Very high85.4Confident0 Ų055.5 Ų55.50%031%0.307CS..Hα-helixtrans-60.8-47.5178.1-67.6172.2000111.7A305 F306 L309 L351 I353 L372 L406 S407 R412 M413 L414A305-L410 HydrophobicContact CB-CD1 4.36Å; F306-L410 HydrophobicContact CD1-CD1 4.29Å; F306-L410 HydrophobicContact CE1-CD1 4.13Å; L309-L410 HydrophobicContact CD1-CB 4.43Å; L309-L410 HydrophobicContact CD1-CD1 3.83Å; L351-L410 HydrophobicContact CD2-CD2 3.58Å; I353-L410 HydrophobicContact CD1-CD2 3.68Å; I353-L410 HydrophobicContact CG1-CD2 4.13Å; L372-L410 HydrophobicContact CD2-CD2 3.73Å; L372-L410 HydrophobicContact CD2-CG 4.18Å; L406-L410 HydrophobicContact CD1-CD1 3.83Å; L406-L410 HydrophobicContact CD1-CG 4.01Å; L406-L410 HydrophobicContact CG-CD1 3.81Å; L406-L410 HydrophobicContact CG-CG 4.4Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.21Å; L406-L410 PolarHBondContact O-N 2.61Å; S407-L410 PolarHBondContact O-N 3.17Å; L410-R412 PolarHBondContact O-N 3.28Å; L410-M413 PolarHBondContact O-N 2.93Å; L410-M413 VanDerWaalsContact O-N 3.1Å; L410-L414 HydrophobicContact CB-CD1 4.06Å; L410-L414 HydrophobicContact CD2-CD1 4.42Å; L410-L414 WeakPolarHBondContact O-CB 3.24Å; L410-L414 WeakPolarHBondContact O-CG 3.26Å; L410-L414 PolarHBondContact O-N 3.27Å
411R90.7Very high84.1Confident93 Ų9362.9 Ų62.935%0.35133%0.331SS..Hα-helixtrans-60-29.6175.7-76.4-169.6-67.5-951.8113.7S407S407-R411 WeakPolarHBondContact O-CB 3.35Å; S407-R411 WeakPolarHBondContact O-CG 3.45Å; S407-R411 PolarHBondContact O-N 3.44Å
412R91.3Very high82.7Confident113 Ų11367.3 Ų67.343%0.42636%0.362SS..Hα-helixtrans-73.1-29.7177.5-171.4-173.8-178.3-168.76.3112.8D394 K408 K409 L410 A430 T431 Y434D394-R412 IonicContact OD2-CZ 3.93Å; D394-R412 IonicContact OD2-NH1 2.89Å; D394-R412 PolarHBondContact OD2-NH1 2.94Å; K408-R412 PolarHBondContact O-N 2.99Å; K409-R412 WeakPolarHBondContact O-CB 3.46Å; K409-R412 PolarHBondContact O-N 3.39Å; K409-R412 VanDerWaalsContact O-N 3.16Å; L410-R412 PolarHBondContact O-N 3.28Å; R412-A430 HydrophobicContact CG-CB 3.95Å; R412-T431 PolarHBondContact O-OG1 2.86Å; R412-T431 VanDerWaalsContact O-OG1 3.09Å; R412-Y434 HydrophobicContact CG-CE2 4.49Å
413M94.8Very high81.1Confident1 Ų166.1 Ų66.11%0.00535%0.354CS..Hα-helixtrans-104-24-170.1-63.3-171.177.500114.2L351 P370 M371 L372 D394 K409 L410 Y434L351-M413 HydrophobicContact CD1-CB 3.98Å; L351-M413 HydrophobicContact CD1-CE 3.64Å; L351-M413 HydrophobicContact CD1-SD 4.03Å; L351-M413 HydrophobicContact CD2-CB 4.27Å; P370-M413 HydrophobicContact CB-CE 4.16Å; M371-M413 WeakPolarHBondContact O-CE 3.27Å; L372-M413 HydrophobicContact CB-SD 4Å; L372-M413 HydrophobicContact CD1-SD 4.29Å; D394-M413 HydrophobicContact CB-CE 4.37Å; D394-M413 HydrophobicContact CB-SD 3.68Å; K409-M413 WeakPolarHBondContact O-CG 3.39Å; K409-M413 PolarHBondContact O-N 2.95Å; L410-M413 PolarHBondContact O-N 2.93Å; L410-M413 VanDerWaalsContact O-N 3.1Å; M413-Y434 HydrophobicContact CE-CD1 4.16Å; M413-Y434 HydrophobicContact CE-CE1 4.1Å; M413-Y434 HydrophobicContact CE-CE2 4.46Å; M413-Y434 HydrophobicContact CE-CG 4.37Å; M413-Y434 HydrophobicContact CG-CD2 4.18Å; M413-Y434 HydrophobicContact CG-CE2 3.81Å
414L92.1Very high80Confident2 Ų269 Ų691%0.0137%0.366CS..SBendtrans-92.1134.7-174.6-73.2168.4000112.2I281 L309 Y312 K350 L351 L410 M416I281-L414 HydrophobicContact CD1-CD1 3.47Å; I281-L414 VanDerWaalsContact CD1-CD1 3.47Å; I281-L414 HydrophobicContact CD1-CD2 3.92Å; I281-L414 HydrophobicContact CD1-CG 4.36Å; I281-L414 HydrophobicContact CG1-CD1 4.36Å; I281-L414 HydrophobicContact CG1-CD2 3.88Å; L309-L414 HydrophobicContact CD1-CD1 4.1Å; L309-L414 HydrophobicContact CD2-CD1 4.2Å; Y312-L414 HydrophobicContact CD2-CD1 4.38Å; Y312-L414 HydrophobicContact CE1-CD2 3.96Å; Y312-L414 HydrophobicContact CE2-CB 4.19Å; Y312-L414 HydrophobicContact CE2-CD1 4.1Å; K350-L414 HydrophobicContact CB-CD2 4.03Å; L351-L414 HydrophobicContact CB-CD2 3.58Å; L351-L414 HydrophobicContact CB-CG 4.46Å; L351-L414 HydrophobicContact CD2-CD2 4.08Å; L351-L414 HydrophobicContact CD2-CG 4.07Å; L351-L414 HydrophobicContact CG-CD2 4.44Å; L410-L414 HydrophobicContact CB-CD1 4.06Å; L410-L414 HydrophobicContact CD2-CD1 4.42Å; L410-L414 WeakPolarHBondContact O-CB 3.24Å; L410-L414 WeakPolarHBondContact O-CG 3.26Å; L410-L414 PolarHBondContact O-N 3.27Å; L414-M416 PolarHBondContact O-N 3.41Å
415P78.4Confident79.3Confident50 Ų5068.9 Ų68.933%0.32537%0.369SS..  trans-74.1102.4174.729.9-32.6000111.2Y312 K350 T431Y312-P415 VanDerWaalsContact OH-C 3.23Å; Y312-P415 WeakPolarHBondContact OH-CD 3.47Å; Y312-P415 PolarHBondContact OH-O 2.94Å; K350-P415 HydrophobicContact CD-CG 4.47Å; K350-P415 HydrophobicContact CG-CG 4.39Å; P415-T431 HydrophobicContact CB-CG2 3.96Å
416M66.4Low78.8Confident43 Ų4372.1 Ų72.121%0.21239%0.387CS..  trans-75.1160.1177.1-59.5-71.7-72.700111.9Q311 Y312 L414 D420 L423Q311-M416 PolarHBondContact NE2-SD 3.5Å; Y312-M416 HydrophobicContact CE2-SD 3.95Å; L414-M416 PolarHBondContact O-N 3.41Å; M416-D420 HydrophobicContact CB-CB 4.23Å; M416-D420 WeakPolarHBondContact CE-OD2 3.23Å; M416-L423 HydrophobicContact CB-CD1 4.14Å; M416-L423 HydrophobicContact CG-CD2 4.33Å
417A64.2Low78Confident64 Ų6474.4 Ų74.453%0.52940%0.398SS..  trans-53145.5-17800000111.5N419 D420A417-N419 PolarHBondContact O-N 2.89Å; A417-D420 WeakPolarHBondContact O-CB 3.08Å; A417-D420 PolarHBondContact O-N 2.96Å
418A55.3Low77.5Confident99 Ų9979.6 Ų79.682%0.81842%0.42SS*.THydrogen-bonded Turntrans-55.3-28.3-176.700000113.6
419N55.7Low77.2Confident149 Ų14978.6 Ų78.680%0.79742%0.417SS*.THydrogen-bonded Turntrans-90.44.1-178.6-62.50.8000113.6A417 Q421A417-N419 PolarHBondContact O-N 2.89Å; N419-Q421 PolarHBondContact O-N 2.84Å
420D61.4Low77Confident41 Ų4177.6 Ų77.622%0.21942%0.417CS..  trans-74.794176.7-165.8-8.6000110.2M416 A417 S422M416-D420 HydrophobicContact CB-CB 4.23Å; M416-D420 WeakPolarHBondContact CE-OD2 3.23Å; A417-D420 WeakPolarHBondContact O-CB 3.08Å; A417-D420 PolarHBondContact O-N 2.96Å; D420-S422 VanDerWaalsContact CG-OG 3.3Å; D420-S422 PolarHBondContact O-N 3.2Å; D420-S422 VanDerWaalsContact OD1-CB 3.27Å; D420-S422 WeakPolarHBondContact OD1-CB 3.34Å; D420-S422 PolarHBondContact OD1-N 3.41Å; D420-S422 VanDerWaalsContact OD1-N 3.14Å; D420-S422 PolarHBondContact OD1-OG 2.99Å; D420-S422 PolarHBondContact OD2-OG 3.08Å
421Q58.6Low76.7Confident193 Ų19378.3 Ų78.390%0.90242%0.421SS*.THydrogen-bonded Turntrans-69.1-8177.9-68.1-174.8-11.800113.1N419 L423N419-Q421 PolarHBondContact O-N 2.84Å; Q421-L423 PolarHBondContact O-N 3.07Å
422S63.4Low76.7Confident94 Ų9480.7 Ų80.766%0.65743%0.434SS*.THydrogen-bonded Turntrans-76-6.5-178.473.60000114.5D420D420-S422 VanDerWaalsContact CG-OG 3.3Å; D420-S422 PolarHBondContact O-N 3.2Å; D420-S422 VanDerWaalsContact OD1-CB 3.27Å; D420-S422 WeakPolarHBondContact OD1-CB 3.34Å; D420-S422 PolarHBondContact OD1-N 3.41Å; D420-S422 VanDerWaalsContact OD1-N 3.14Å; D420-S422 PolarHBondContact OD1-OG 2.99Å; D420-S422 PolarHBondContact OD2-OG 3.08Å
423L62.7Low76.9Confident34 Ų3477.1 Ų77.118%0.17842%0.424CS..  trans-87.4130.3-172.8-65.2177000113.5M416 Q421 Q427 K428M416-L423 HydrophobicContact CB-CD1 4.14Å; M416-L423 HydrophobicContact CG-CD2 4.33Å; Q421-L423 PolarHBondContact O-N 3.07Å; L423-Q427 HydrophobicContact CD2-CB 4.24Å; L423-K428 HydrophobicContact CB-CG 4.39Å; L423-K428 HydrophobicContact CD1-CD 4.45Å; L423-K428 HydrophobicContact CD1-CG 3.94Å
424N76.3Confident77Confident83 Ų8378 Ų7844%0.44443%0.428SS..  trans-77.8157162.668.332000111.6N426 Q427N424-N426 PolarHBondContact O-N 3.37Å; N424-N426 VanDerWaalsContact O-N 3.13Å; N424-N426 WeakPolarHBondContact OD1-CB 3.35Å; N424-N426 PolarHBondContact OD1-N 3.43Å; N424-Q427 PolarHBondContact O-N 2.97Å; N424-Q427 WeakPolarHBondContact OD1-CG 3.29Å; N424-Q427 PolarHBondContact OD1-N 3.22Å
425L82.1Confident77.1Confident147 Ų14780.7 Ų80.777%0.7744%0.438SS*.Hα-helixtrans-54.5-32.6179.6-73.1163.8000113Q427 K428 Q429L425-Q427 PolarHBondContact O-N 2.95Å; L425-K428 PolarHBondContact O-N 3.2Å; L425-Q429 PolarHBondContact O-N 3Å; L425-Q429 VanDerWaalsContact O-N 3.09Å
426N84.8Confident78Confident127 Ų12786.2 Ų86.268%0.67945%0.452SS*.Hα-helixtrans-64.9-39.3-178.3-65.9-24.2000112.6N424 A430N424-N426 PolarHBondContact O-N 3.37Å; N424-N426 VanDerWaalsContact O-N 3.13Å; N424-N426 WeakPolarHBondContact OD1-CB 3.35Å; N424-N426 PolarHBondContact OD1-N 3.43Å; N426-A430 WeakPolarHBondContact O-CB 3.32Å; N426-A430 PolarHBondContact O-N 3.3Å
427Q82.1Confident79.5Confident49 Ų4988 Ų8823%0.22946%0.459CS..Hα-helixtrans-67.3-44.2178-74.7166.4-19.600112L423 N424 L425 Q429 A430 T431L423-Q427 HydrophobicContact CD2-CB 4.24Å; N424-Q427 PolarHBondContact O-N 2.97Å; N424-Q427 WeakPolarHBondContact OD1-CG 3.29Å; N424-Q427 PolarHBondContact OD1-N 3.22Å; L425-Q427 PolarHBondContact O-N 2.95Å; Q427-Q429 VanDerWaalsContact C-N 3.31Å; Q427-Q429 PolarHBondContact O-N 2.73Å; Q427-A430 PolarHBondContact O-N 2.93Å; Q427-T431 PolarHBondContact O-N 3.26Å; Q427-T431 VanDerWaalsContact O-N 3.08Å; Q427-T431 PolarHBondContact O-OG1 3.4Å
428K83.1Confident81Confident113 Ų11385 Ų8549%0.49143%0.434SS..Hα-helixtrans-58.8-45.1176.3-69.3-177.8179.1176.60110.9L423 L425 K432L423-K428 HydrophobicContact CB-CG 4.39Å; L423-K428 HydrophobicContact CD1-CD 4.45Å; L423-K428 HydrophobicContact CD1-CG 3.94Å; L425-K428 PolarHBondContact O-N 3.2Å; K428-K432 PolarHBondContact O-N 2.96Å; K428-K432 VanDerWaalsContact O-N 3.13Å
429Q88.4Confident83Confident114 Ų11485.2 Ų85.253%0.53342%0.421SS..Hα-helixtrans-66.7-38.4179.1-17460.413.300112.7L425 Q427 T433L425-Q429 PolarHBondContact O-N 3Å; L425-Q429 VanDerWaalsContact O-N 3.09Å; Q427-Q429 VanDerWaalsContact C-N 3.31Å; Q427-Q429 PolarHBondContact O-N 2.73Å; Q429-T433 WeakPolarHBondContact O-CB 3.32Å; Q429-T433 PolarHBondContact O-N 2.99Å; Q429-T433 PolarHBondContact O-OG1 3.21Å
430A90.5Very high84.9Confident21 Ų2183 Ų8317%0.17441%0.408CS..Hα-helixtrans-62.1-50176.600000111.7R412 N426 Q427 K432 T433 Y434R412-A430 HydrophobicContact CG-CB 3.95Å; N426-A430 WeakPolarHBondContact O-CB 3.32Å; N426-A430 PolarHBondContact O-N 3.3Å; Q427-A430 PolarHBondContact O-N 2.93Å; A430-K432 PolarHBondContact O-N 3.23Å; A430-T433 WeakPolarHBondContact O-CA 3.41Å; A430-T433 WeakPolarHBondContact O-CB 3.27Å; A430-T433 PolarHBondContact O-N 3.46Å; A430-T433 VanDerWaalsContact O-N 3.07Å; A430-Y434 WeakPolarHBondContact O-CD2 3.28Å; A430-Y434 PolarHBondContact O-N 3.33Å
431T89Confident86.5Confident14 Ų1481.5 Ų81.59%0.08640%0.4CS..Hα-helixtrans-60-45.4178.8-64.30000111.9R412 P415 Q427 T433 Y434 R435R412-T431 PolarHBondContact O-OG1 2.86Å; R412-T431 VanDerWaalsContact O-OG1 3.09Å; P415-T431 HydrophobicContact CB-CG2 3.96Å; Q427-T431 PolarHBondContact O-N 3.26Å; Q427-T431 VanDerWaalsContact O-N 3.08Å; Q427-T431 PolarHBondContact O-OG1 3.4Å; T431-T433 PolarHBondContact O-N 3.12Å; T431-Y434 PolarHBondContact O-N 2.76Å; T431-R435 WeakPolarHBondContact O-CG 3Å; T431-R435 PolarHBondContact O-N 2.86Å; T431-R435 VanDerWaalsContact O-N 3.13Å
432K91.1Very high88.1Confident144 Ų14476 Ų7663%0.62637%0.373SS*.Hα-helixtrans-59.2-38175.4-173176.5-178.7178.20111.6K428 A430 R436K428-K432 PolarHBondContact O-N 2.96Å; K428-K432 VanDerWaalsContact O-N 3.13Å; A430-K432 PolarHBondContact O-N 3.23Å; K432-R436 VanDerWaalsContact O-CB 3.32Å; K432-R436 WeakPolarHBondContact O-CB 3.46Å; K432-R436 PolarHBondContact O-N 2.8Å
433T95.2Very high89.5Confident37 Ų3778.3 Ų78.323%0.22737%0.371CS..Hα-helixtrans-65.7-48.1178.6-62.30000111.9Q429 A430 T431 R435 R436 K437Q429-T433 WeakPolarHBondContact O-CB 3.32Å; Q429-T433 PolarHBondContact O-N 2.99Å; Q429-T433 PolarHBondContact O-OG1 3.21Å; A430-T433 WeakPolarHBondContact O-CA 3.41Å; A430-T433 WeakPolarHBondContact O-CB 3.27Å; A430-T433 PolarHBondContact O-N 3.46Å; A430-T433 VanDerWaalsContact O-N 3.07Å; T431-T433 PolarHBondContact O-N 3.12Å; T433-R435 VanDerWaalsContact C-N 3.33Å; T433-R435 PolarHBondContact O-N 3.13Å; T433-R436 PolarHBondContact O-N 3.3Å; T433-K437 HydrophobicContact CG2-CD 3.87Å; T433-K437 HydrophobicContact CG2-CG 4.34Å; T433-K437 WeakPolarHBondContact O-CB 3.35Å; T433-K437 WeakPolarHBondContact O-CG 3.39Å; T433-K437 PolarHBondContact O-N 2.97Å
434Y96.2Very high90.9Very high19 Ų1981.2 Ų81.28%0.07539%0.385CS..Hα-helixtrans-56.4-47.4176-74-64.4000111.4G391 A393 R412 M413 A430 T431 K437 I438G391-Y434 VanDerWaalsContact O-CD1 3.31Å; G391-Y434 WeakPolarHBondContact O-CD1 3.27Å; A393-Y434 WeakPolarHBondContact O-CE1 3.4Å; R412-Y434 HydrophobicContact CG-CE2 4.49Å; M413-Y434 HydrophobicContact CE-CD1 4.16Å; M413-Y434 HydrophobicContact CE-CE1 4.1Å; M413-Y434 HydrophobicContact CE-CE2 4.46Å; M413-Y434 HydrophobicContact CE-CG 4.37Å; M413-Y434 HydrophobicContact CG-CD2 4.18Å; M413-Y434 HydrophobicContact CG-CE2 3.81Å; A430-Y434 WeakPolarHBondContact O-CD2 3.28Å; A430-Y434 PolarHBondContact O-N 3.33Å; T431-Y434 PolarHBondContact O-N 2.76Å; Y434-K437 PolarHBondContact O-N 3.38Å; Y434-I438 WeakPolarHBondContact O-CB 3.11Å; Y434-I438 WeakPolarHBondContact O-CG2 3.44Å; Y434-I438 PolarHBondContact O-N 3.48Å
435R94.4Very high91.5Very high60 Ų6077.3 Ų77.323%0.22636%0.364CS..Hα-helixtrans-62.2-47.5178.7-71.3-64.7-175.8-173.3-4.5113.5K350 T431 T433 K437 I438 L439K350-R435 VanDerWaalsContact C-NH2 3.27Å; K350-R435 VanDerWaalsContact CB-NH2 3.31Å; K350-R435 VanDerWaalsContact O-CZ 3.24Å; K350-R435 PolarHBondContact O-NH1 3.15Å; K350-R435 PolarHBondContact O-NH2 3.47Å; T431-R435 WeakPolarHBondContact O-CG 3Å; T431-R435 PolarHBondContact O-N 2.86Å; T431-R435 VanDerWaalsContact O-N 3.13Å; T433-R435 VanDerWaalsContact C-N 3.33Å; T433-R435 PolarHBondContact O-N 3.13Å; R435-K437 PolarHBondContact O-N 2.95Å; R435-I438 WeakPolarHBondContact O-CG2 3.33Å; R435-L439 WeakPolarHBondContact O-CG 3.27Å; R435-L439 PolarHBondContact O-N 3.49Å
436R96.6Very high91.5Very high166 Ų16672 Ų7263%0.62634%0.339SS*.Hα-helixtrans-61.3-46.4178.8-176.3-178.466.8157.8-0.1111K432 T433 L440K432-R436 VanDerWaalsContact O-CB 3.32Å; K432-R436 WeakPolarHBondContact O-CB 3.46Å; K432-R436 PolarHBondContact O-N 2.8Å; T433-R436 PolarHBondContact O-N 3.3Å; R436-L440 PolarHBondContact O-N 2.74Å; R436-L440 VanDerWaalsContact O-N 3.07Å
437K97.6Very high91.5Very high80 Ų8070.1 Ų70.135%0.34833%0.333SS..Hα-helixtrans-67.6-40.3-177.5-74.6-177.7162-161.10112.4K390 G391 V392 T433 Y434 R435 L440 L441K390-K437 WeakPolarHBondContact O-CD 3.38Å; G391-K437 WeakPolarHBondContact O-CD 3.25Å; V392-K437 HydrophobicContact CG1-CB 3.75Å; T433-K437 HydrophobicContact CG2-CD 3.87Å; T433-K437 HydrophobicContact CG2-CG 4.34Å; T433-K437 WeakPolarHBondContact O-CB 3.35Å; T433-K437 WeakPolarHBondContact O-CG 3.39Å; T433-K437 PolarHBondContact O-N 2.97Å; Y434-K437 PolarHBondContact O-N 3.38Å; R435-K437 PolarHBondContact O-N 2.95Å; K437-L440 PolarHBondContact O-N 2.84Å; K437-L441 WeakPolarHBondContact O-CB 3.46Å; K437-L441 PolarHBondContact O-N 2.68Å
438I97Very high91.4Very high1 Ų173.5 Ų73.51%0.00534%0.344CS..Hα-helixtrans-68.7-36.9179.6-165.370.1000112.1V365 A368 P370 V392 Y434 R435 L441 K442V365-I438 HydrophobicContact CB-CD1 4.35Å; V365-I438 HydrophobicContact CG1-CD1 4.27Å; V365-I438 HydrophobicContact CG2-CD1 4.06Å; A368-I438 HydrophobicContact CB-CG1 4.3Å; A368-I438 HydrophobicContact CB-CG2 4.31Å; A368-I438 WeakPolarHBondContact O-CG2 3.3Å; P370-I438 HydrophobicContact CG-CG2 3.96Å; V392-I438 HydrophobicContact CB-CB 4.11Å; V392-I438 HydrophobicContact CB-CD1 3.55Å; V392-I438 HydrophobicContact CB-CG1 4.37Å; V392-I438 HydrophobicContact CG1-CB 3.99Å; V392-I438 HydrophobicContact CG1-CD1 3.89Å; V392-I438 HydrophobicContact CG2-CD1 3.78Å; Y434-I438 WeakPolarHBondContact O-CB 3.11Å; Y434-I438 WeakPolarHBondContact O-CG2 3.44Å; Y434-I438 PolarHBondContact O-N 3.48Å; R435-I438 WeakPolarHBondContact O-CG2 3.33Å; I438-L441 HydrophobicContact CD1-CD2 4.36Å; I438-L441 PolarHBondContact O-N 3.15Å; I438-K442 WeakPolarHBondContact O-CB 3.31Å; I438-K442 PolarHBondContact O-N 2.97Å
439L96.4Very high91.1Very high104 Ų10469.1 Ų69.155%0.54533%0.326SS..Hα-helixtrans-64.1-42173.1-73.4168.1000111.8A368 R435 K442 K443A368-L439 HydrophobicContact CB-CD2 3.8Å; A368-L439 HydrophobicContact CB-CG 4.42Å; R435-L439 WeakPolarHBondContact O-CG 3.27Å; R435-L439 PolarHBondContact O-N 3.49Å; L439-K442 PolarHBondContact O-N 3.04Å; L439-K443 PolarHBondContact O-N 2.85Å
440L96.3Very high90.4Very high102 Ų10266.4 Ų66.453%0.53432%0.317SS..Hα-helixtrans-62.4-45.9175.3-177.962.3000111.3R436 K437 K442 K443 M444R436-L440 PolarHBondContact O-N 2.74Å; R436-L440 VanDerWaalsContact O-N 3.07Å; K437-L440 PolarHBondContact O-N 2.84Å; L440-K442 PolarHBondContact O-N 3.33Å; L440-K443 WeakPolarHBondContact O-CB 3.37Å; L440-K443 PolarHBondContact O-N 3.14Å; L440-K443 VanDerWaalsContact O-N 3.12Å; L440-M444 HydrophobicContact CG-SD 4.27Å; L440-M444 WeakPolarHBondContact O-CG 3.48Å; L440-M444 PolarHBondContact O-N 3.44Å
441L94.9Very high89.4Confident10 Ų1070.3 Ų70.35%0.05233%0.33CS..Hα-helixtrans-61.9-44.4178.7-17759.5000111.8L236 V365 K390 V392 K437 I438 K443 M444 L445L236-L441 HydrophobicContact CD2-CD2 4.12Å; V365-L441 HydrophobicContact CG1-CD2 3.55Å; V365-L441 HydrophobicContact CG1-CG 3.67Å; V365-L441 HydrophobicContact CG2-CD2 4.27Å; K390-L441 HydrophobicContact CB-CD2 4.33Å; K390-L441 HydrophobicContact CG-CD2 4.42Å; V392-L441 HydrophobicContact CG1-CD2 4.13Å; V392-L441 HydrophobicContact CG2-CD2 3.92Å; K437-L441 WeakPolarHBondContact O-CB 3.46Å; K437-L441 PolarHBondContact O-N 2.68Å; I438-L441 HydrophobicContact CD1-CD2 4.36Å; I438-L441 PolarHBondContact O-N 3.15Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 2.96Å; L441-M444 PolarHBondContact O-N 3.42Å; L441-L445 HydrophobicContact CG-CD1 4.43Å; L441-L445 WeakPolarHBondContact O-CG 3.32Å; L441-L445 PolarHBondContact O-N 3.34Å
442K92.5Very high88.5Confident77 Ų7771.6 Ų71.634%0.33534%0.335SS..Hα-helixtrans-56-43.8171.9176.5177.3176.6171.60111.6N366 A368 I438 L439 L440 L445 S446N366-K442 VanDerWaalsContact O-CD 3.24Å; N366-K442 WeakPolarHBondContact O-CD 3.28Å; N366-K442 WeakPolarHBondContact O-CE 3.33Å; A368-K442 HydrophobicContact CB-CB 4.15Å; A368-K442 HydrophobicContact CB-CD 3.57Å; A368-K442 HydrophobicContact CB-CG 4.5Å; I438-K442 WeakPolarHBondContact O-CB 3.31Å; I438-K442 PolarHBondContact O-N 2.97Å; L439-K442 PolarHBondContact O-N 3.04Å; L440-K442 PolarHBondContact O-N 3.33Å; K442-L445 PolarHBondContact O-N 3.41Å; K442-S446 WeakPolarHBondContact O-CB 3.35Å; K442-S446 PolarHBondContact O-N 3.16Å; K442-S446 PolarHBondContact O-OG 3.21Å
443K92Very high87.5Confident142 Ų14269 Ų6962%0.61732%0.322SS*.Hα-helixtrans-62.8-45.2177.7-172.7179.6179.4-178.70111.6L439 L440 L441 S446 T447L439-K443 PolarHBondContact O-N 2.85Å; L440-K443 WeakPolarHBondContact O-CB 3.37Å; L440-K443 PolarHBondContact O-N 3.14Å; L440-K443 VanDerWaalsContact O-N 3.12Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 2.96Å; K443-S446 WeakPolarHBondContact CA-OG 3.33Å; K443-S446 PolarHBondContact O-N 3.18Å; K443-S446 PolarHBondContact O-OG 3.06Å; K443-T447 PolarHBondContact O-N 2.88Å; K443-T447 VanDerWaalsContact O-N 3.1Å; K443-T447 PolarHBondContact O-OG1 3.01Å
444M91.9Very high86.4Confident96 Ų9673.2 Ų73.247%0.47334%0.339SS..Hα-helixtrans-59.8-48.6177.1-66.6171.674.200111.5L235 L440 L441 S446 T447 Y448L235-M444 HydrophobicContact CD1-CB 3.67Å; L235-M444 HydrophobicContact CD1-CE 4.14Å; L440-M444 HydrophobicContact CG-SD 4.27Å; L440-M444 WeakPolarHBondContact O-CG 3.48Å; L440-M444 PolarHBondContact O-N 3.44Å; L441-M444 PolarHBondContact O-N 3.42Å; M444-S446 PolarHBondContact O-N 3.42Å; M444-T447 WeakPolarHBondContact O-CB 3.39Å; M444-T447 PolarHBondContact O-N 3.08Å; M444-Y448 PolarHBondContact O-N 3.09Å
445L88.4Confident85.1Confident0 Ų075.8 Ų75.80%035%0.35CS..Hα-helixtrans-62.7-41.7177-70.2174.1000112.3E233 L235 V365 L441 K442 T447 Y448 Q449E233-L445 HydrophobicContact CB-CD1 4.46Å; E233-L445 HydrophobicContact CB-CD2 3.74Å; E233-L445 HydrophobicContact CG-CD1 4.02Å; E233-L445 HydrophobicContact CG-CD2 3.98Å; L235-L445 HydrophobicContact CB-CD2 4.03Å; L235-L445 HydrophobicContact CD1-CD2 3.81Å; L235-L445 HydrophobicContact CD1-CG 4.25Å; L235-L445 HydrophobicContact CG-CD2 4.05Å; V365-L445 HydrophobicContact CB-CD1 4.44Å; V365-L445 HydrophobicContact CG1-CD1 3.37Å; L441-L445 HydrophobicContact CG-CD1 4.43Å; L441-L445 WeakPolarHBondContact O-CG 3.32Å; L441-L445 PolarHBondContact O-N 3.34Å; K442-L445 PolarHBondContact O-N 3.41Å; L445-T447 PolarHBondContact O-N 3.49Å; L445-Y448 PolarHBondContact O-N 3.35Å; L445-Q449 WeakPolarHBondContact O-CB 3.12Å; L445-Q449 VanDerWaalsContact O-CG 3.24Å; L445-Q449 WeakPolarHBondContact O-CG 3.4Å; L445-Q449 PolarHBondContact O-N 3.08Å
446S83.8Confident83.8Confident35 Ų3574.1 Ų74.125%0.24535%0.345CS..Hα-helixtrans-60.6-31.1177.471.30000113.1K442 K443 M444 T450 R453K442-S446 WeakPolarHBondContact O-CB 3.35Å; K442-S446 PolarHBondContact O-N 3.16Å; K442-S446 PolarHBondContact O-OG 3.21Å; K443-S446 WeakPolarHBondContact CA-OG 3.33Å; K443-S446 PolarHBondContact O-N 3.18Å; K443-S446 PolarHBondContact O-OG 3.06Å; M444-S446 PolarHBondContact O-N 3.42Å; S446-T450 PolarHBondContact O-OG1 2.87Å; S446-R453 VanDerWaalsContact CB-NH1 3.34Å
447T83.2Confident82.4Confident89 Ų8974.9 Ų74.955%0.54635%0.353SS..Hα-helixtrans-75.2-45.5176.5-51.90000110.5K443 M444 L445 Q449 T450K443-T447 PolarHBondContact O-N 2.88Å; K443-T447 VanDerWaalsContact O-N 3.1Å; K443-T447 PolarHBondContact O-OG1 3.01Å; M444-T447 WeakPolarHBondContact O-CB 3.39Å; M444-T447 PolarHBondContact O-N 3.08Å; L445-T447 PolarHBondContact O-N 3.49Å; T447-Q449 VanDerWaalsContact C-N 3.34Å; T447-Q449 PolarHBondContact O-N 3.33Å; T447-T450 WeakPolarHBondContact O-CB 3.2Å; T447-T450 PolarHBondContact O-N 3.47Å; T447-T450 PolarHBondContact O-OG1 3.49Å
448Y80Confident81.2Confident120 Ų12079.6 Ų79.647%0.47137%0.374SS..Hα-helixtrans-61.1-41.5177.1179.2-103000112.4F234 M444 L445 T450F234-Y448 HydrophobicContact CB-CE1 3.85Å; F234-Y448 HydrophobicContact CD1-CE2 4Å; F234-Y448 HydrophobicContact CG-CE2 4.42Å; M444-Y448 PolarHBondContact O-N 3.09Å; L445-Y448 PolarHBondContact O-N 3.35Å; Y448-T450 PolarHBondContact O-N 3.27Å; Y448-T450 VanDerWaalsContact O-N 3.14Å
449Q78.1Confident79.8Confident20 Ų2084.2 Ų84.29%0.09340%0.398CS..THydrogen-bonded Turntrans-76.67.2-179.5-67.1171.4-10.300113.9E233 N366 L445 T447 F451 E452 R453E233-Q449 VanDerWaalsContact CD-NE2 3.26Å; E233-Q449 PolarHBondContact OE1-NE2 2.8Å; E233-Q449 PolarHBondContact OE2-NE2 3.14Å; N366-Q449 PolarHBondContact OD1-NE2 3.03Å; L445-Q449 WeakPolarHBondContact O-CB 3.12Å; L445-Q449 VanDerWaalsContact O-CG 3.24Å; L445-Q449 WeakPolarHBondContact O-CG 3.4Å; L445-Q449 PolarHBondContact O-N 3.08Å; T447-Q449 VanDerWaalsContact C-N 3.34Å; T447-Q449 PolarHBondContact O-N 3.33Å; Q449-F451 VanDerWaalsContact C-N 3.29Å; Q449-F451 PolarHBondContact O-N 3.23Å; Q449-E452 PolarHBondContact O-N 2.86Å; Q449-R453 HydrophobicContact CB-CG 4.1Å; Q449-R453 VanDerWaalsContact O-CB 3.31Å; Q449-R453 WeakPolarHBondContact O-CB 3.36Å; Q449-R453 VanDerWaalsContact O-CG 3.26Å; Q449-R453 WeakPolarHBondContact O-CG 3.43Å; Q449-R453 PolarHBondContact O-N 3.36Å; Q449-R453 VanDerWaalsContact OE1-CZ 3.3Å
450T73.5Confident78.5Confident58 Ų5884.9 Ų84.936%0.35640%0.4SS..Hα-helixtrans-56.2-43-173.1-62.10000112.2S446 T447 Y448 R453 Q454S446-T450 PolarHBondContact O-OG1 2.87Å; T447-T450 WeakPolarHBondContact O-CB 3.2Å; T447-T450 PolarHBondContact O-N 3.47Å; T447-T450 PolarHBondContact O-OG1 3.49Å; Y448-T450 PolarHBondContact O-N 3.27Å; Y448-T450 VanDerWaalsContact O-N 3.14Å; T450-R453 PolarHBondContact O-N 2.97Å; T450-Q454 HydrophobicContact CG2-CG 4.26Å; T450-Q454 WeakPolarHBondContact O-CB 3.38Å; T450-Q454 VanDerWaalsContact O-CG 3.22Å; T450-Q454 WeakPolarHBondContact O-CG 3.38Å; T450-Q454 PolarHBondContact O-N 3.35Å
451F70.2Confident77.4Confident103 Ų10381 Ų8145%0.45238%0.38SS..Hα-helixtrans-60.6-54.3177.3174.4-97.3000112.1Q449 R453 Q454 K455 F466Q449-F451 VanDerWaalsContact C-N 3.29Å; Q449-F451 PolarHBondContact O-N 3.23Å; F451-R453 VanDerWaalsContact C-N 3.29Å; F451-R453 PolarHBondContact O-N 2.82Å; F451-Q454 PolarHBondContact O-N 3.11Å; F451-Q454 VanDerWaalsContact O-N 3.17Å; F451-K455 HydrophobicContact CE1-CG 4.15Å; F451-K455 HydrophobicContact CE2-CG 4.24Å; F451-K455 HydrophobicContact CZ-CD 4.48Å; F451-K455 HydrophobicContact CZ-CG 3.98Å; F451-K455 PolarHBondContact O-N 3.46Å; F451-F466 HydrophobicContact CE1-CE1 4.45Å; F451-F466 HydrophobicContact CZ-CZ 4.49Å
452E69.9Low76.8Confident40 Ų4080.6 Ų80.619%0.18738%0.379CS..Hα-helixtrans-60-41.4179.9-64.1-63.6166.900110.9Q449 K455 M456 A463 W467Q449-E452 PolarHBondContact O-N 2.86Å; E452-K455 PolarHBondContact O-N 3.02Å; E452-M456 VanDerWaalsContact O-CB 3.27Å; E452-M456 WeakPolarHBondContact O-CB 3.5Å; E452-M456 WeakPolarHBondContact O-CG 3.49Å; E452-M456 PolarHBondContact O-N 3.47Å; E452-A463 HydrophobicContact CG-CB 4.29Å; E452-A463 WeakPolarHBondContact OE2-CA 3.22Å; E452-A463 WeakPolarHBondContact OE2-CB 3.37Å; E452-W467 PolarHBondContact OE1-NE1 3.14Å
453R70.2Confident76.5Confident90 Ų9077.4 Ų77.434%0.3437%0.367SS..Hα-helixtrans-66.1-38.1176.7-72.1174.9179.1-148.40.1112.8S446 Q449 T450 F451 K457S446-R453 VanDerWaalsContact CB-NH1 3.34Å; Q449-R453 HydrophobicContact CB-CG 4.1Å; Q449-R453 VanDerWaalsContact O-CB 3.31Å; Q449-R453 WeakPolarHBondContact O-CB 3.36Å; Q449-R453 VanDerWaalsContact O-CG 3.26Å; Q449-R453 WeakPolarHBondContact O-CG 3.43Å; Q449-R453 PolarHBondContact O-N 3.36Å; Q449-R453 VanDerWaalsContact OE1-CZ 3.3Å; T450-R453 PolarHBondContact O-N 2.97Å; F451-R453 VanDerWaalsContact C-N 3.29Å; F451-R453 PolarHBondContact O-N 2.82Å; R453-K457 WeakPolarHBondContact O-CB 3.46Å; R453-K457 VanDerWaalsContact O-CG 3.32Å; R453-K457 WeakPolarHBondContact O-CG 3.47Å; R453-K457 PolarHBondContact O-N 3.31Å
454Q71.4Confident76.3Confident125 Ų12570.9 Ų70.958%0.58434%0.339SS*.Hα-helixtrans-67.4-43.1176.1-77.9176-0.900111.2T450 F451 K457 K458T450-Q454 HydrophobicContact CG2-CG 4.26Å; T450-Q454 WeakPolarHBondContact O-CB 3.38Å; T450-Q454 VanDerWaalsContact O-CG 3.22Å; T450-Q454 WeakPolarHBondContact O-CG 3.38Å; T450-Q454 PolarHBondContact O-N 3.35Å; F451-Q454 PolarHBondContact O-N 3.11Å; F451-Q454 VanDerWaalsContact O-N 3.17Å; Q454-K457 PolarHBondContact O-N 3.46Å; Q454-K458 WeakPolarHBondContact O-CB 3.33Å; Q454-K458 PolarHBondContact O-N 2.95Å
455K68Low76.2Confident74 Ų7466.3 Ų66.332%0.32232%0.316SS..Hα-helixtrans-63.3-44.8175.4-72.1-68.5-172.8177.30112F451 E452 K457 K458 N459F451-K455 HydrophobicContact CE1-CG 4.15Å; F451-K455 HydrophobicContact CE2-CG 4.24Å; F451-K455 HydrophobicContact CZ-CD 4.48Å; F451-K455 HydrophobicContact CZ-CG 3.98Å; F451-K455 PolarHBondContact O-N 3.46Å; E452-K455 PolarHBondContact O-N 3.02Å; K455-K457 PolarHBondContact O-N 3.14Å; K455-K458 PolarHBondContact O-N 2.94Å; K455-N459 PolarHBondContact O-N 3.34Å
456M67.7Low76.3Confident24 Ų2468.1 Ų68.112%0.11832%0.324CS..Hα-helixtrans-54.2-48.5172.2-83.6-76.2-69.400112.3W253 E452 M460 T461 T462W253-M456 HydrophobicContact CB-CE 3.41Å; W253-M456 VanDerWaalsContact CB-CE 3.41Å; W253-M456 HydrophobicContact CD2-CE 3.83Å; W253-M456 HydrophobicContact CE3-CE 3.28Å; W253-M456 HydrophobicContact CG-CE 3.95Å; W253-M456 HydrophobicContact CZ3-CE 4.23Å; E452-M456 VanDerWaalsContact O-CB 3.27Å; E452-M456 WeakPolarHBondContact O-CB 3.5Å; E452-M456 WeakPolarHBondContact O-CG 3.49Å; E452-M456 PolarHBondContact O-N 3.47Å; M456-M460 WeakPolarHBondContact O-CA 3.5Å; M456-M460 PolarHBondContact O-N 2.72Å; M456-T461 VanDerWaalsContact CG-O 3.3Å; M456-T461 WeakPolarHBondContact CG-O 3.43Å; M456-T462 HydrophobicContact CE-CG2 4.23Å; M456-T462 WeakPolarHBondContact SD-CA 3.27Å; M456-T462 HydrophobicContact SD-CG2 3.73Å; M456-T462 PolarHBondContact SD-N 2.86Å; M456-T462 VanDerWaalsContact SD-N 3.39Å
457K67.8Low76.6Confident183 Ų18368.6 Ų68.680%0.79632%0.32SS*.Hα-helixtrans-65.5-39.4179.4-77.2179.2178-172.20113R453 Q454 K455R453-K457 WeakPolarHBondContact O-CB 3.46Å; R453-K457 VanDerWaalsContact O-CG 3.32Å; R453-K457 WeakPolarHBondContact O-CG 3.47Å; R453-K457 PolarHBondContact O-N 3.31Å; Q454-K457 PolarHBondContact O-N 3.46Å; K455-K457 PolarHBondContact O-N 3.14Å
458K71.1Confident77.1Confident178 Ų17864.5 Ų64.577%0.77430%0.295SS*.Hα-helixtrans-77-41.5-174.8-165.9-178.3176.81740112.8Q454 K455Q454-K458 WeakPolarHBondContact O-CB 3.33Å; Q454-K458 PolarHBondContact O-N 2.95Å; K455-K458 PolarHBondContact O-N 2.94Å
459N67.9Low77.7Confident99 Ų9959.9 Ų59.953%0.52928%0.279SS..Hα-helixtrans-1228.1-169.1-67.113000113.6K455 T461K455-N459 PolarHBondContact O-N 3.34Å; N459-T461 PolarHBondContact O-N 2.81Å; N459-T461 PolarHBondContact O-OG1 2.78Å
460M69.6Low78.4Confident118 Ų11861.6 Ų61.658%0.58128%0.284SS*.  trans50.428-173.2-69.2174.958.400113.7M456M456-M460 WeakPolarHBondContact O-CA 3.5Å; M456-M460 PolarHBondContact O-N 2.72Å
461T73.8Confident79.3Confident19 Ų1958.8 Ų58.812%0.11727%0.267CS..  trans-106.5122.3-171.3-68.40000111.3K22 M456 N459 A465 F466K22-T461 VanDerWaalsContact CE-CG2 3.43Å; M456-T461 VanDerWaalsContact CG-O 3.3Å; M456-T461 WeakPolarHBondContact CG-O 3.43Å; N459-T461 PolarHBondContact O-N 2.81Å; N459-T461 PolarHBondContact O-OG1 2.78Å; T461-A465 HydrophobicContact CG2-CB 4.46Å; T461-F466 HydrophobicContact CG2-CB 3.82Å
462T82.7Confident80.4Confident3 Ų354.8 Ų54.82%0.01825%0.253CS..  trans-71.2152175.967.90000112.8D18 W253 M456 A465 F466D18-T462 VanDerWaalsContact OD2-CB 3.31Å; D18-T462 WeakPolarHBondContact OD2-CB 3.32Å; D18-T462 WeakPolarHBondContact OD2-CG2 3.47Å; D18-T462 PolarHBondContact OD2-OG1 2.88Å; W253-T462 WeakPolarHBondContact O-CG2 3.46Å; M456-T462 HydrophobicContact CE-CG2 4.23Å; M456-T462 WeakPolarHBondContact SD-CA 3.27Å; M456-T462 HydrophobicContact SD-CG2 3.73Å; M456-T462 PolarHBondContact SD-N 2.86Å; M456-T462 VanDerWaalsContact SD-N 3.39Å; T462-A465 PolarHBondContact O-N 3.49Å; T462-A465 VanDerWaalsContact O-N 3.14Å; T462-A465 WeakPolarHBondContact OG1-CB 3.33Å; T462-F466 WeakPolarHBondContact O-CB 3.46Å; T462-F466 PolarHBondContact O-N 2.81Å
463A84.9Confident81.5Confident10 Ų1059 Ų598%0.08327%0.268CS..Hα-helixtrans-53.8-47.8179.100000112.7L249 E452 A465 F466 W467L249-A463 HydrophobicContact CD2-CB 4.04Å; E452-A463 HydrophobicContact CG-CB 4.29Å; E452-A463 WeakPolarHBondContact OE2-CA 3.22Å; E452-A463 WeakPolarHBondContact OE2-CB 3.37Å; A463-A465 PolarHBondContact O-N 3.32Å; A463-F466 PolarHBondContact O-N 2.91Å; A463-W467 PolarHBondContact O-N 3.31Å
464P89.2Confident82.5Confident4 Ų458.4 Ų58.43%0.02627%0.268CS..Hα-helixtrans-56.9-49.3174.9-15.121.8000111.9I15 L249 L252 F466 W467 I468I15-P464 HydrophobicContact CD1-CB 4.31Å; I15-P464 HydrophobicContact CG1-CB 3.96Å; I15-P464 HydrophobicContact CG1-CG 4.29Å; L249-P464 HydrophobicContact CD1-CB 4.2Å; L249-P464 HydrophobicContact CD1-CG 4.05Å; L252-P464 HydrophobicContact CD2-CG 3.4Å; P464-F466 VanDerWaalsContact C-N 3.29Å; P464-F466 PolarHBondContact O-N 3.28Å; P464-W467 PolarHBondContact O-N 2.73Å; P464-I468 HydrophobicContact CB-CD1 4.49Å; P464-I468 WeakPolarHBondContact O-CB 3.45Å; P464-I468 WeakPolarHBondContact O-CD1 3.31Å; P464-I468 WeakPolarHBondContact O-CG1 3.47Å; P464-I468 PolarHBondContact O-N 2.96Å
465A89.7Confident83.3Confident0 Ų053.1 Ų53.10%024%0.243CC..Hα-helixtrans-66.1-33.9-176.700000111.6D18 L19 K22 T461 T462 A463 D469D18-A465 HydrophobicContact CB-CB 3.61Å; L19-A465 HydrophobicContact CD2-CB 4.33Å; K22-A465 VanDerWaalsContact NZ-CB 3.26Å; K22-A465 PolarHBondContact NZ-O 3.13Å; T461-A465 HydrophobicContact CG2-CB 4.46Å; T462-A465 PolarHBondContact O-N 3.49Å; T462-A465 VanDerWaalsContact O-N 3.14Å; T462-A465 WeakPolarHBondContact OG1-CB 3.33Å; A463-A465 PolarHBondContact O-N 3.32Å; A465-D469 WeakPolarHBondContact O-CB 3.46Å; A465-D469 PolarHBondContact O-N 3.47Å
466F88.9Confident83.8Confident38 Ų3853.5 Ų53.517%0.16726%0.256CS..Hα-helixtrans-62.3-51.6173.6171.4-99.2000111.2F451 T461 T462 A463 P464 D469 W470F451-F466 HydrophobicContact CE1-CE1 4.45Å; F451-F466 HydrophobicContact CZ-CZ 4.49Å; T461-F466 HydrophobicContact CG2-CB 3.82Å; T462-F466 WeakPolarHBondContact O-CB 3.46Å; T462-F466 PolarHBondContact O-N 2.81Å; A463-F466 PolarHBondContact O-N 2.91Å; P464-F466 VanDerWaalsContact C-N 3.29Å; P464-F466 PolarHBondContact O-N 3.28Å; F466-D469 PolarHBondContact O-N 3.26Å; F466-W470 WeakPolarHBondContact O-CB 3.4Å; F466-W470 PolarHBondContact O-N 2.85Å
467W90.6Very high84.6Confident45 Ų4555.9 Ų55.917%0.1727%0.269CS..Hα-helixtrans-68-36.7-178-73.7110.3000112.3F227 K247 E452 A463 P464 W470 A471F227-W467 HydrophobicContact CE1-CB 3.98Å; F227-W467 WeakPolarHBondContact CE1-O 3.38Å; F227-W467 HydrophobicContact CE2-CB 4.37Å; F227-W467 HydrophobicContact CZ-CB 3.72Å; K247-W467 HydrophobicContact CD-CD2 4.16Å; K247-W467 HydrophobicContact CD-CE3 4.28Å; K247-W467 HydrophobicContact CD-CH2 4.28Å; K247-W467 HydrophobicContact CD-CZ2 4.14Å; K247-W467 HydrophobicContact CD-CZ3 4.35Å; K247-W467 HydrophobicContact CG-CD2 4.33Å; K247-W467 HydrophobicContact CG-CG 4.5Å; E452-W467 PolarHBondContact OE1-NE1 3.14Å; A463-W467 PolarHBondContact O-N 3.31Å; P464-W467 PolarHBondContact O-N 2.73Å; W467-W470 HydrophobicContact CE3-CD2 4.25Å; W467-W470 AromaticContact CE3-CE3 3.91Å; W467-W470 HydrophobicContact CE3-CE3 3.91Å; W467-W470 HydrophobicContact CE3-CZ3 4.37Å; W467-W470 HydrophobicContact CZ3-CD2 4.28Å; W467-W470 HydrophobicContact CZ3-CE3 4.18Å; W467-W470 HydrophobicContact CZ3-CZ3 4.41Å; W467-A471 VanDerWaalsContact O-CB 3.32Å; W467-A471 WeakPolarHBondContact O-CB 3.49Å; W467-A471 PolarHBondContact O-N 2.94Å
468I93.9Very high85.3Confident4 Ų452.6 Ų52.62%0.02126%0.256CS..Hα-helixtrans-64.3-48.5173.7-67.9160.8000111.1I15 L19 F121 V123 V144 L146 F227 P464 W470 A471 A472I15-I468 HydrophobicContact CG2-CD1 3.46Å; I15-I468 VanDerWaalsContact CG2-CD1 3.46Å; L19-I468 HydrophobicContact CD1-CD1 4.29Å; L19-I468 HydrophobicContact CD1-CG2 4.07Å; L19-I468 HydrophobicContact CD2-CB 4.01Å; L19-I468 HydrophobicContact CD2-CG2 3.64Å; L19-I468 HydrophobicContact CG-CG2 4.48Å; F121-I468 HydrophobicContact CE1-CG2 4.02Å; V123-I468 HydrophobicContact CG1-CD1 4.08Å; V123-I468 HydrophobicContact CG2-CD1 3.92Å; V123-I468 HydrophobicContact CG2-CG1 4.12Å; V123-I468 HydrophobicContact CG2-CG2 3.97Å; V144-I468 HydrophobicContact CG2-CG1 4.11Å; L146-I468 HydrophobicContact CD1-CD1 4.09Å; F227-I468 HydrophobicContact CZ-CG1 4.32Å; P464-I468 HydrophobicContact CB-CD1 4.49Å; P464-I468 WeakPolarHBondContact O-CB 3.45Å; P464-I468 WeakPolarHBondContact O-CD1 3.31Å; P464-I468 WeakPolarHBondContact O-CG1 3.47Å; P464-I468 PolarHBondContact O-N 2.96Å; I468-W470 VanDerWaalsContact C-N 3.34Å; I468-W470 PolarHBondContact O-N 3.47Å; I468-A471 WeakPolarHBondContact O-CB 3.48Å; I468-A471 PolarHBondContact O-N 3.48Å; I468-A471 VanDerWaalsContact O-N 3.13Å; I468-A472 WeakPolarHBondContact O-CB 3.47Å; I468-A472 PolarHBondContact O-N 2.99Å
469D92.9Very high85.9Confident22 Ų2250.7 Ų50.712%0.11825%0.25CS..Hα-helixtrans-59.3-45.5176.4166.986.1000111.7K22 Y24 A465 F466 A471 A472 R473K22-D469 HydrophobicContact CD-CB 3.68Å; Y24-D469 HydrophobicContact CE2-CB 4.26Å; Y24-D469 PolarHBondContact OH-OD1 3.32Å; A465-D469 WeakPolarHBondContact O-CB 3.46Å; A465-D469 PolarHBondContact O-N 3.47Å; F466-D469 PolarHBondContact O-N 3.26Å; D469-A471 VanDerWaalsContact C-N 3.28Å; D469-A471 PolarHBondContact O-N 3.06Å; D469-A472 PolarHBondContact O-N 3.15Å; D469-R473 WeakPolarHBondContact O-CB 3.35Å; D469-R473 WeakPolarHBondContact O-CG 3.37Å; D469-R473 PolarHBondContact O-N 2.98Å; D469-R473 IonicContact OD1-NE 2.75Å; D469-R473 PolarHBondContact OD1-NE 3.37Å; D469-R473 IonicContact OD2-CZ 3.04Å; D469-R473 IonicContact OD2-NE 3.2Å; D469-R473 PolarHBondContact OD2-NE 3.15Å; D469-R473 IonicContact OD2-NH2 3.04Å; D469-R473 PolarHBondContact OD2-NH2 3.39Å
470W91.5Very high86.6Confident56 Ų5651.8 Ų51.821%0.21225%0.25CC..Hα-helixtrans-58.2-43.6174.2174.384.4000111.3I226 F466 W467 I468 R473 H474 F475 F484I226-W470 HydrophobicContact CG2-CZ3 4.35Å; F466-W470 WeakPolarHBondContact O-CB 3.4Å; F466-W470 PolarHBondContact O-N 2.85Å; W467-W470 HydrophobicContact CE3-CD2 4.25Å; W467-W470 AromaticContact CE3-CE3 3.91Å; W467-W470 HydrophobicContact CE3-CE3 3.91Å; W467-W470 HydrophobicContact CE3-CZ3 4.37Å; W467-W470 HydrophobicContact CZ3-CD2 4.28Å; W467-W470 HydrophobicContact CZ3-CE3 4.18Å; W467-W470 HydrophobicContact CZ3-CZ3 4.41Å; I468-W470 VanDerWaalsContact C-N 3.34Å; I468-W470 PolarHBondContact O-N 3.47Å; W470-R473 PolarHBondContact O-N 3.21Å; W470-H474 AromaticContact CD1-CE1 3.47Å; W470-H474 VanDerWaalsContact CD1-CE1 3.47Å; W470-H474 AromaticContact CD1-ND1 3.42Å; W470-H474 AromaticContact CG-ND1 3.89Å; W470-H474 AromaticContact NE1-CE1 3.83Å; W470-H474 AromaticContact NE1-ND1 3.66Å; W470-H474 PolarHBondContact O-N 2.89Å; W470-H474 VanDerWaalsContact O-N 3.16Å; W470-H474 PolarHBondContact O-ND1 3.38Å; W470-F475 HydrophobicContact CD2-CE2 4.32Å; W470-F475 AromaticContact CE3-CE2 3.99Å; W470-F475 HydrophobicContact CE3-CE2 3.99Å; W470-F475 HydrophobicContact CH2-CD2 4.35Å; W470-F475 AromaticContact CH2-CE2 3.22Å; W470-F475 HydrophobicContact CH2-CE2 3.22Å; W470-F475 AromaticContact CH2-CZ 3.65Å; W470-F475 HydrophobicContact CH2-CZ 3.65Å; W470-F475 AromaticContact CZ2-CE2 3.57Å; W470-F475 HydrophobicContact CZ2-CE2 3.57Å; W470-F475 AromaticContact CZ2-CZ 3.95Å; W470-F475 HydrophobicContact CZ2-CZ 3.95Å; W470-F475 HydrophobicContact CZ3-CD2 4.19Å; W470-F475 AromaticContact CZ3-CE2 3.45Å; W470-F475 HydrophobicContact CZ3-CE2 3.45Å; W470-F475 VanDerWaalsContact CZ3-CE2 3.45Å; W470-F475 HydrophobicContact CZ3-CZ 4.27Å; W470-F484 HydrophobicContact CH2-CE2 4.12Å; W470-F484 AromaticContact CH2-CZ 3.98Å; W470-F484 HydrophobicContact CH2-CZ 3.98Å
471A93.8Very high87.3Confident0 Ų047.8 Ų47.80%023%0.229CC..Hα-helixtrans-63.8-48.8178.400000111.9F121 V144 I226 F227 W467 I468 D469 R473 H474 F475F121-A471 HydrophobicContact CE2-CB 4.31Å; F121-A471 HydrophobicContact CZ-CB 3.84Å; V144-A471 HydrophobicContact CG1-CB 3.81Å; I226-A471 HydrophobicContact CD1-CB 4.03Å; I226-A471 HydrophobicContact CG2-CB 4.02Å; F227-A471 HydrophobicContact CD1-CB 4.2Å; F227-A471 HydrophobicContact CE1-CB 3.76Å; W467-A471 VanDerWaalsContact O-CB 3.32Å; W467-A471 WeakPolarHBondContact O-CB 3.49Å; W467-A471 PolarHBondContact O-N 2.94Å; I468-A471 WeakPolarHBondContact O-CB 3.48Å; I468-A471 PolarHBondContact O-N 3.48Å; I468-A471 VanDerWaalsContact O-N 3.13Å; D469-A471 VanDerWaalsContact C-N 3.28Å; D469-A471 PolarHBondContact O-N 3.06Å; A471-R473 VanDerWaalsContact C-N 3.32Å; A471-R473 PolarHBondContact O-N 3.04Å; A471-H474 PolarHBondContact O-N 2.03Å; A471-F475 VanDerWaalsContact O-CB 3.3Å; A471-F475 WeakPolarHBondContact O-CB 3.49Å; A471-F475 PolarHBondContact O-N 3.42Å
472A93.3Very high87.6Confident19 Ų1951.2 Ų51.216%0.15724%0.243CC..Hα-helixtrans-59.6-40.3178.900000112.4Y24 F121 I468 D469Y24-A472 HydrophobicContact CE1-CB 4.28Å; F121-A472 HydrophobicContact CD2-CB 4.08Å; F121-A472 HydrophobicContact CE2-CB 4.11Å; F121-A472 HydrophobicContact CG-CB 4.48Å; I468-A472 WeakPolarHBondContact O-CB 3.47Å; I468-A472 PolarHBondContact O-N 2.99Å; D469-A472 PolarHBondContact O-N 3.15Å
473R91.8Very high87.5Confident129 Ų12954.2 Ų54.249%0.48727%0.268SS..Hα-helixtrans-72.3-35.7-179-73-172.8-67116.9-1.6114.4D469 W470 A471D469-R473 WeakPolarHBondContact O-CB 3.35Å; D469-R473 WeakPolarHBondContact O-CG 3.37Å; D469-R473 PolarHBondContact O-N 2.98Å; D469-R473 IonicContact OD1-NE 2.75Å; D469-R473 PolarHBondContact OD1-NE 3.37Å; D469-R473 IonicContact OD2-CZ 3.04Å; D469-R473 IonicContact OD2-NE 3.2Å; D469-R473 PolarHBondContact OD2-NE 3.15Å; D469-R473 IonicContact OD2-NH2 3.04Å; D469-R473 PolarHBondContact OD2-NH2 3.39Å; W470-R473 PolarHBondContact O-N 3.21Å; A471-R473 VanDerWaalsContact C-N 3.32Å; A471-R473 PolarHBondContact O-N 3.04Å
474H91.2Very high87.3Confident76 Ų7656.8 Ų56.835%0.35228%0.278SS..Hα-helixtrans-103.2-19.3-170.7-59.287.9000113.7W470 A471 K480W470-H474 AromaticContact CD1-CE1 3.47Å; W470-H474 VanDerWaalsContact CD1-CE1 3.47Å; W470-H474 AromaticContact CD1-ND1 3.42Å; W470-H474 AromaticContact CG-ND1 3.89Å; W470-H474 AromaticContact NE1-CE1 3.83Å; W470-H474 AromaticContact NE1-ND1 3.66Å; W470-H474 PolarHBondContact O-N 2.89Å; W470-H474 VanDerWaalsContact O-N 3.16Å; W470-H474 PolarHBondContact O-ND1 3.38Å; A471-H474 PolarHBondContact O-N 2.03Å; H474-K480 WeakPolarHBondContact O-CD 3.39Å
475F89.7Confident86.5Confident14 Ų1457 Ų576%0.06128%0.279CS..SBendtrans-125.124.3-170.2-61.9-71.9000113.3I226 W470 A471 N477 R481 F484I226-F475 HydrophobicContact CD1-CB 3.56Å; I226-F475 HydrophobicContact CD1-CG 4.34Å; I226-F475 HydrophobicContact CG1-CB 3.92Å; I226-F475 HydrophobicContact CG1-CG 4.32Å; I226-F475 HydrophobicContact CG2-CB 4.35Å; I226-F475 HydrophobicContact CG2-CD2 3.69Å; I226-F475 HydrophobicContact CG2-CE2 4.14Å; I226-F475 HydrophobicContact CG2-CG 3.94Å; W470-F475 HydrophobicContact CD2-CE2 4.32Å; W470-F475 AromaticContact CE3-CE2 3.99Å; W470-F475 HydrophobicContact CE3-CE2 3.99Å; W470-F475 HydrophobicContact CH2-CD2 4.35Å; W470-F475 AromaticContact CH2-CE2 3.22Å; W470-F475 HydrophobicContact CH2-CE2 3.22Å; W470-F475 AromaticContact CH2-CZ 3.65Å; W470-F475 HydrophobicContact CH2-CZ 3.65Å; W470-F475 AromaticContact CZ2-CE2 3.57Å; W470-F475 HydrophobicContact CZ2-CE2 3.57Å; W470-F475 AromaticContact CZ2-CZ 3.95Å; W470-F475 HydrophobicContact CZ2-CZ 3.95Å; W470-F475 HydrophobicContact CZ3-CD2 4.19Å; W470-F475 AromaticContact CZ3-CE2 3.45Å; W470-F475 HydrophobicContact CZ3-CE2 3.45Å; W470-F475 VanDerWaalsContact CZ3-CE2 3.45Å; W470-F475 HydrophobicContact CZ3-CZ 4.27Å; A471-F475 VanDerWaalsContact O-CB 3.3Å; A471-F475 WeakPolarHBondContact O-CB 3.49Å; A471-F475 PolarHBondContact O-N 3.42Å; F475-N477 VanDerWaalsContact C-N 3.31Å; F475-R481 HydrophobicContact CB-CG 3.64Å; F475-R481 HydrophobicContact CD1-CG 4.12Å; F475-R481 HydrophobicContact CG-CG 4.31Å; F475-R481 VanDerWaalsContact O-CD 3.24Å; F475-R481 WeakPolarHBondContact O-CD 3.38Å; F475-R481 VanDerWaalsContact O-CG 3.26Å; F475-R481 WeakPolarHBondContact O-CG 3.38Å; F475-R481 PolarHBondContact O-NH1 3.43Å; F475-F484 HydrophobicContact CD1-CB 4.16Å; F475-F484 HydrophobicContact CD1-CG 4.36Å; F475-F484 HydrophobicContact CE1-CB 3.36Å; F475-F484 AromaticContact CE1-CD1 3.85Å; F475-F484 HydrophobicContact CE1-CD1 3.85Å; F475-F484 AromaticContact CE1-CD2 3.84Å; F475-F484 HydrophobicContact CE1-CD2 3.84Å; F475-F484 AromaticContact CE1-CG 3.4Å; F475-F484 HydrophobicContact CE1-CG 3.4Å; F475-F484 VanDerWaalsContact CE1-CG 3.4Å; F475-F484 HydrophobicContact CZ-CB 4.1Å; F475-F484 HydrophobicContact CZ-CD1 4.01Å; F475-F484 AromaticContact CZ-CD2 3.66Å; F475-F484 HydrophobicContact CZ-CD2 3.66Å; F475-F484 HydrophobicContact CZ-CE1 4.36Å; F475-F484 HydrophobicContact CZ-CE2 4.04Å; F475-F484 AromaticContact CZ-CG 3.65Å; F475-F484 HydrophobicContact CZ-CG 3.65Å; F475-F484 HydrophobicContact CZ-CZ 4.38Å
476S78.6Confident85.2Confident83 Ų8362.6 Ų62.658%0.5831%0.308SS*.SBendtrans-65.6-33.8169.953.90000112.2R481S476-R481 PolarHBondContact O-NH1 3.25Å
477N83.1Confident83.6Confident74 Ų7467.8 Ų67.840%0.39634%0.336SS..SBendtrans-81.9133.6175-177.3-33.2000111.6F475 E479 K480 R481F475-N477 VanDerWaalsContact C-N 3.31Å; N477-E479 VanDerWaalsContact OD1-CB 3.32Å; N477-E479 WeakPolarHBondContact OD1-CB 3.22Å; N477-E479 PolarHBondContact OD1-N 3.32Å; N477-K480 HydrophobicContact CB-CB 4.32Å; N477-K480 HydrophobicContact CB-CD 4.29Å; N477-K480 HydrophobicContact CB-CG 4.17Å; N477-K480 PolarHBondContact O-N 3.4Å; N477-R481 PolarHBondContact O-N 2.93Å; N477-R481 VanDerWaalsContact O-N 3.13Å; N477-R481 PolarHBondContact O-NH1 2.89Å
478Q83.4Confident82Confident113 Ų11366.4 Ų66.453%0.52833%0.332SS..Hα-helixtrans-59.8-44.1177.3-179173.5-12.400113.5K480 R481 E482Q478-K480 PolarHBondContact O-N 2.94Å; Q478-R481 VanDerWaalsContact CA-CZ 3.49Å; Q478-R481 CarbonylContact O-C 3.44Å; Q478-R481 WeakPolarHBondContact O-CA 3.36Å; Q478-R481 WeakPolarHBondContact O-CB 3.43Å; Q478-R481 PolarHBondContact O-N 3.46Å; Q478-R481 VanDerWaalsContact O-N 3.09Å; Q478-E482 HydrophobicContact CG-CG 4.32Å; Q478-E482 VanDerWaalsContact CG-OE1 3.27Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.39Å; Q478-E482 PolarHBondContact NE2-OE1 3.35Å; Q478-E482 WeakPolarHBondContact O-CG 3.4Å; Q478-E482 PolarHBondContact O-N 3.12Å
479E83.4Confident80Confident139 Ų13972.9 Ų72.965%0.6536%0.357SS*.Hα-helixtrans-60.5-44.5178.2-173.4-171.9178.500111.2N477 R481 E482 A483N477-E479 VanDerWaalsContact OD1-CB 3.32Å; N477-E479 WeakPolarHBondContact OD1-CB 3.22Å; N477-E479 PolarHBondContact OD1-N 3.32Å; E479-R481 VanDerWaalsContact C-N 3.27Å; E479-R481 PolarHBondContact O-N 3.32Å; E479-E482 PolarHBondContact O-N 3.43Å; E479-A483 WeakPolarHBondContact O-CB 2.92Å; E479-A483 PolarHBondContact O-N 2.98Å
480K82.8Confident78Confident121 Ų12176.3 Ų76.353%0.52638%0.379SS..Hα-helixtrans-62.1-36.6175.2-69.6-173.2-180179.10112H474 N477 Q478 F484H474-K480 WeakPolarHBondContact O-CD 3.39Å; N477-K480 HydrophobicContact CB-CB 4.32Å; N477-K480 HydrophobicContact CB-CD 4.29Å; N477-K480 HydrophobicContact CB-CG 4.17Å; N477-K480 PolarHBondContact O-N 3.4Å; Q478-K480 PolarHBondContact O-N 2.94Å; K480-F484 WeakPolarHBondContact O-CB 3.48Å; K480-F484 PolarHBondContact O-N 3.48Å; K480-F484 VanDerWaalsContact O-N 3.16Å
481R84.7Confident76.2Confident35 Ų3579.1 Ų79.113%0.13240%0.398CS..Hα-helixtrans-65-51.9173.4-75.6-169.3-54.3-82.36.3110.8I226 F475 S476 N477 Q478 E479 A483 F484 L485I226-R481 HydrophobicContact CG1-CG 4.29Å; F475-R481 HydrophobicContact CB-CG 3.64Å; F475-R481 HydrophobicContact CD1-CG 4.12Å; F475-R481 HydrophobicContact CG-CG 4.31Å; F475-R481 VanDerWaalsContact O-CD 3.24Å; F475-R481 WeakPolarHBondContact O-CD 3.38Å; F475-R481 VanDerWaalsContact O-CG 3.26Å; F475-R481 WeakPolarHBondContact O-CG 3.38Å; F475-R481 PolarHBondContact O-NH1 3.43Å; S476-R481 PolarHBondContact O-NH1 3.25Å; N477-R481 PolarHBondContact O-N 2.93Å; N477-R481 VanDerWaalsContact O-N 3.13Å; N477-R481 PolarHBondContact O-NH1 2.89Å; Q478-R481 VanDerWaalsContact CA-CZ 3.49Å; Q478-R481 CarbonylContact O-C 3.44Å; Q478-R481 WeakPolarHBondContact O-CA 3.36Å; Q478-R481 WeakPolarHBondContact O-CB 3.43Å; Q478-R481 PolarHBondContact O-N 3.46Å; Q478-R481 VanDerWaalsContact O-N 3.09Å; E479-R481 VanDerWaalsContact C-N 3.27Å; E479-R481 PolarHBondContact O-N 3.32Å; R481-A483 VanDerWaalsContact C-N 3.32Å; R481-A483 PolarHBondContact O-N 3.27Å; R481-F484 PolarHBondContact O-N 2.81Å; R481-F484 VanDerWaalsContact O-N 3.12Å; R481-L485 HydrophobicContact CB-CD1 4.27Å; R481-L485 VanDerWaalsContact O-CB 3.23Å; R481-L485 WeakPolarHBondContact O-CB 2.94Å; R481-L485 WeakPolarHBondContact O-CG 3.43Å; R481-L485 PolarHBondContact O-N 2.84Å
482E80.3Confident74.6Confident91 Ų9185.4 Ų85.443%0.42543%0.428SS..Hα-helixtrans-59.6-43-179.1-72171.9-178.600111.4Q478 E479 F484 L485 L486Q478-E482 HydrophobicContact CG-CG 4.32Å; Q478-E482 VanDerWaalsContact CG-OE1 3.27Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.39Å; Q478-E482 PolarHBondContact NE2-OE1 3.35Å; Q478-E482 WeakPolarHBondContact O-CG 3.4Å; Q478-E482 PolarHBondContact O-N 3.12Å; E479-E482 PolarHBondContact O-N 3.43Å; E482-F484 VanDerWaalsContact C-N 3.33Å; E482-F484 PolarHBondContact O-N 3.26Å; E482-L485 CarbonylContact O-C 3.5Å; E482-L485 PolarHBondContact O-N 2.98Å; E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 2.87Å
483A79.8Confident73.5Confident66 Ų6690.6 Ų90.655%0.54545%0.447SS..Hα-helixtrans-59.5-39.6174.200000113.1E479 R481E479-A483 WeakPolarHBondContact O-CB 2.92Å; E479-A483 PolarHBondContact O-N 2.98Å; R481-A483 VanDerWaalsContact C-N 3.32Å; R481-A483 PolarHBondContact O-N 3.27Å
484F80.1Confident72.4Confident63 Ų6389.9 Ų89.928%0.27645%0.447SS..Hα-helixtrans-77.2-34.1176.9176.9-97.7000113.1I226 W470 F475 K480 R481 E482 L486I226-F484 HydrophobicContact CG2-CE1 4.45Å; W470-F484 HydrophobicContact CH2-CE2 4.12Å; W470-F484 AromaticContact CH2-CZ 3.98Å; W470-F484 HydrophobicContact CH2-CZ 3.98Å; F475-F484 HydrophobicContact CD1-CB 4.16Å; F475-F484 HydrophobicContact CD1-CG 4.36Å; F475-F484 HydrophobicContact CE1-CB 3.36Å; F475-F484 AromaticContact CE1-CD1 3.85Å; F475-F484 HydrophobicContact CE1-CD1 3.85Å; F475-F484 AromaticContact CE1-CD2 3.84Å; F475-F484 HydrophobicContact CE1-CD2 3.84Å; F475-F484 AromaticContact CE1-CG 3.4Å; F475-F484 HydrophobicContact CE1-CG 3.4Å; F475-F484 VanDerWaalsContact CE1-CG 3.4Å; F475-F484 HydrophobicContact CZ-CB 4.1Å; F475-F484 HydrophobicContact CZ-CD1 4.01Å; F475-F484 AromaticContact CZ-CD2 3.66Å; F475-F484 HydrophobicContact CZ-CD2 3.66Å; F475-F484 HydrophobicContact CZ-CE1 4.36Å; F475-F484 HydrophobicContact CZ-CE2 4.04Å; F475-F484 AromaticContact CZ-CG 3.65Å; F475-F484 HydrophobicContact CZ-CG 3.65Å; F475-F484 HydrophobicContact CZ-CZ 4.38Å; K480-F484 WeakPolarHBondContact O-CB 3.48Å; K480-F484 PolarHBondContact O-N 3.48Å; K480-F484 VanDerWaalsContact O-N 3.16Å; R481-F484 PolarHBondContact O-N 2.81Å; R481-F484 VanDerWaalsContact O-N 3.12Å; E482-F484 VanDerWaalsContact C-N 3.33Å; E482-F484 PolarHBondContact O-N 3.26Å; F484-L486 VanDerWaalsContact C-N 3.33Å
485L73.6Confident71.6Confident10 Ų1089 Ų895%0.05245%0.449CS..Hα-helixtrans-82.5-9.4179.9-65.6173.6000112.9A225 R481 E482 L487 K488A225-L485 WeakPolarHBondContact O-CD2 3.46Å; R481-L485 HydrophobicContact CB-CD1 4.27Å; R481-L485 VanDerWaalsContact O-CB 3.23Å; R481-L485 WeakPolarHBondContact O-CB 2.94Å; R481-L485 WeakPolarHBondContact O-CG 3.43Å; R481-L485 PolarHBondContact O-N 2.84Å; E482-L485 CarbonylContact O-C 3.5Å; E482-L485 PolarHBondContact O-N 2.98Å; L485-L487 PolarHBondContact O-N 3.44Å; L485-K488 HydrophobicContact CD2-CD 3.82Å; L485-K488 VanDerWaalsContact O-CB 3.29Å; L485-K488 WeakPolarHBondContact O-CB 3.41Å; L485-K488 PolarHBondContact O-N 3.03Å
486L62.6Low70.8Confident116 Ų11694.9 Ų94.961%0.60747%0.472SS*.G310 helixtrans-52.8-30.2178.3-117.5142.7000112.4E482 F484 K488 Y489E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 2.87Å; F484-L486 VanDerWaalsContact C-N 3.33Å; L486-K488 PolarHBondContact O-N 3.31Å; L486-Y489 PolarHBondContact O-N 3.18Å
487L54.5Low71Confident147 Ų14796.2 Ų96.277%0.7747%0.468SS*.G310 helixtrans-67.1-11.2173.3-70.3170.3000114.8L485L485-L487 PolarHBondContact O-N 3.44Å
488K57.5Low71.2Confident17 Ų1795.3 Ų95.37%0.07447%0.468CS..G310 helixtrans-86.7-17175-63.5-172.5-178.6-1800113.1F159 R223 A225 L485 L486 T490F159-K488 VanDerWaalsContact CD1-NZ 3.34Å; R223-K488 PolarHBondContact O-NZ 3.5Å; A225-K488 PolarHBondContact O-NZ 3.09Å; L485-K488 HydrophobicContact CD2-CD 3.82Å; L485-K488 VanDerWaalsContact O-CB 3.29Å; L485-K488 WeakPolarHBondContact O-CB 3.41Å; L485-K488 PolarHBondContact O-N 3.03Å; L486-K488 PolarHBondContact O-N 3.31Å; K488-T490 VanDerWaalsContact C-N 3.32Å; K488-T490 PolarHBondContact O-N 3.26Å
489Y51.7Low71.3Confident139 Ų13992.5 Ų92.555%0.54546%0.456SS..  trans-86.812.7-172.6-73.9-85000114.8L486 D491L486-Y489 PolarHBondContact O-N 3.18Å; Y489-D491 PolarHBondContact O-N 3.21Å
490T51.7Low71.5Confident95 Ų9588.9 Ų88.958%0.58344%0.441SS*.  trans-68.918172.453.60000113.7K488 Q492K488-T490 VanDerWaalsContact C-N 3.32Å; K488-T490 PolarHBondContact O-N 3.26Å; T490-Q492 PolarHBondContact O-N 2.64Å; T490-Q492 VanDerWaalsContact O-N 3.08Å
491D52.5Low71.8Confident115 Ų11586.1 Ų86.162%0.61543%0.434SS*.  trans-72.221.7176.3-85.8-11.5000114.3Y489 F493Y489-D491 PolarHBondContact O-N 3.21Å; D491-F493 VanDerWaalsContact C-N 3.25Å; D491-F493 PolarHBondContact O-N 3.28Å
492Q60.5Low72.2Confident132 Ų13288.5 Ų88.562%0.61745%0.449SS*.  trans-74.593157-68.4-114.7-5.700105.8T490 F494 S495 Y496T490-Q492 PolarHBondContact O-N 2.64Å; T490-Q492 VanDerWaalsContact O-N 3.08Å; Q492-F494 CarbonylContact O-C 3.48Å; Q492-F494 PolarHBondContact O-N 2.89Å; Q492-S495 WeakPolarHBondContact O-CA 3.24Å; Q492-S495 PolarHBondContact O-N 2.89Å; Q492-Y496 PolarHBondContact O-N 3.41Å
493F69.6Low72.9Confident128 Ų12888.6 Ų88.656%0.56145%0.452SS*.Hα-helixtrans-41.5-39.9174.7173.2-91.6000111.6D491 F497 L499D491-F493 VanDerWaalsContact C-N 3.25Å; D491-F493 PolarHBondContact O-N 3.28Å; F493-F497 HydrophobicContact CD1-CD2 4.42Å; F493-F497 AromaticContact CD2-CD2 3.73Å; F493-F497 HydrophobicContact CD2-CD2 3.73Å; F493-F497 AromaticContact CD2-CE2 3.59Å; F493-F497 HydrophobicContact CD2-CE2 3.59Å; F493-F497 HydrophobicContact CE1-CD2 4.28Å; F493-F497 AromaticContact CE2-CD2 3.57Å; F493-F497 HydrophobicContact CE2-CD2 3.57Å; F493-F497 AromaticContact CE2-CE2 3.3Å; F493-F497 HydrophobicContact CE2-CE2 3.3Å; F493-F497 HydrophobicContact CE2-CZ 4.41Å; F493-F497 HydrophobicContact CG-CD2 4.16Å; F493-F497 HydrophobicContact CG-CE2 4.45Å; F493-F497 AromaticContact CZ-CD2 3.86Å; F493-F497 HydrophobicContact CZ-CD2 3.86Å; F493-F497 AromaticContact CZ-CE2 3.96Å; F493-F497 HydrophobicContact CZ-CE2 3.96Å; F493-F497 WeakPolarHBondContact O-CD2 3.4Å; F493-F497 PolarHBondContact O-N 3.27Å; F493-F497 VanDerWaalsContact O-N 3.13Å; F493-L499 HydrophobicContact CD1-CD1 3.89Å; F493-L499 HydrophobicContact CE1-CD1 3.53Å
494F70.3Confident73.5Confident114 Ų11489.5 Ų89.550%0.545%0.45SS..Hα-helixtrans-58.9-55.6172.8-75.9-91000113Q492 F497 S498 L499Q492-F494 CarbonylContact O-C 3.48Å; Q492-F494 PolarHBondContact O-N 2.89Å; F494-F497 CarbonylContact O-C 3.12Å; F494-F497 PolarHBondContact O-N 3.47Å; F494-S498 CarbonylContact O-C 3.56Å; F494-S498 WeakPolarHBondContact O-CA 3.42Å; F494-S498 PolarHBondContact O-N 2.66Å; F494-L499 HydrophobicContact CB-CB 4.43Å; F494-L499 HydrophobicContact CD1-CB 3.67Å; F494-L499 HydrophobicContact CD1-CD1 3.95Å; F494-L499 HydrophobicContact CD1-CG 4.44Å; F494-L499 HydrophobicContact CE1-CB 4.36Å; F494-L499 HydrophobicContact CE1-CD1 4.17Å; F494-L499 HydrophobicContact CG-CB 4.42Å; F494-L499 HydrophobicContact CG-CD1 4.43Å; F494-L499 PolarHBondContact O-N 3.4Å
495S72.8Confident74.3Confident56 Ų5693.8 Ų93.839%0.39247%0.466SS..Hα-helixtrans-67.1-36.4179.3-52.20000113.2Q492 F497 S498 D500Q492-S495 WeakPolarHBondContact O-CA 3.24Å; Q492-S495 PolarHBondContact O-N 2.89Å; S495-F497 PolarHBondContact O-N 3.15Å; S495-S498 PolarHBondContact O-N 3.11Å; S495-D500 PolarHBondContact OG-OD2 3.4Å
496Y74.1Confident75.3Confident138 Ų13899 Ų9954%0.54149%0.49SS..Hα-helixtrans-62.5-42.3178178.9-94.2000112.4Q492 S498Q492-Y496 PolarHBondContact O-N 3.41Å; Y496-S498 VanDerWaalsContact C-N 3.27Å
497F81.6Confident76.9Confident111 Ų11196.5 Ų96.549%0.48748%0.482SS..THydrogen-bonded Turntrans-884.1173.4-72.2-68.5000113.1F493 F494 S495 L499F493-F497 HydrophobicContact CD1-CD2 4.42Å; F493-F497 AromaticContact CD2-CD2 3.73Å; F493-F497 HydrophobicContact CD2-CD2 3.73Å; F493-F497 AromaticContact CD2-CE2 3.59Å; F493-F497 HydrophobicContact CD2-CE2 3.59Å; F493-F497 HydrophobicContact CE1-CD2 4.28Å; F493-F497 AromaticContact CE2-CD2 3.57Å; F493-F497 HydrophobicContact CE2-CD2 3.57Å; F493-F497 AromaticContact CE2-CE2 3.3Å; F493-F497 HydrophobicContact CE2-CE2 3.3Å; F493-F497 HydrophobicContact CE2-CZ 4.41Å; F493-F497 HydrophobicContact CG-CD2 4.16Å; F493-F497 HydrophobicContact CG-CE2 4.45Å; F493-F497 AromaticContact CZ-CD2 3.86Å; F493-F497 HydrophobicContact CZ-CD2 3.86Å; F493-F497 AromaticContact CZ-CE2 3.96Å; F493-F497 HydrophobicContact CZ-CE2 3.96Å; F493-F497 WeakPolarHBondContact O-CD2 3.4Å; F493-F497 PolarHBondContact O-N 3.27Å; F493-F497 VanDerWaalsContact O-N 3.13Å; F494-F497 CarbonylContact O-C 3.12Å; F494-F497 PolarHBondContact O-N 3.47Å; S495-F497 PolarHBondContact O-N 3.15Å; F497-L499 HydrophobicContact CB-CD1 4.39Å; F497-L499 HydrophobicContact CB-CD2 4.08Å; F497-L499 HydrophobicContact CB-CG 3.79Å; F497-L499 PolarHBondContact O-N 3.16Å; F497-L499 VanDerWaalsContact O-N 3.13Å
498S87.1Confident78.9Confident56 Ų5693.4 Ų93.439%0.39247%0.466SS..THydrogen-bonded Turntrans50.233.6-174.3-51.40000112.7F494 S495 Y496 D500 V501 L502F494-S498 CarbonylContact O-C 3.56Å; F494-S498 WeakPolarHBondContact O-CA 3.42Å; F494-S498 PolarHBondContact O-N 2.66Å; S495-S498 PolarHBondContact O-N 3.11Å; Y496-S498 VanDerWaalsContact C-N 3.27Å; S498-D500 VanDerWaalsContact C-OD1 3.25Å; S498-D500 WeakPolarHBondContact CA-OD1 3.29Å; S498-D500 PolarHBondContact O-N 2.94Å; S498-V501 PolarHBondContact O-N 3.17Å; S498-V501 VanDerWaalsContact O-N 3.11Å; S498-L502 WeakPolarHBondContact O-CB 3.4Å; S498-L502 VanDerWaalsContact O-CG 3.31Å; S498-L502 WeakPolarHBondContact O-CG 3.48Å; S498-L502 PolarHBondContact O-N 2.94Å
499L86.8Confident80.7Confident53 Ų5399.1 Ų99.128%0.27749%0.491SS..Hα-helixtrans-62.4-36.2178.9-63.2179.8000110.8F493 F494 F497 L502 L503F493-L499 HydrophobicContact CD1-CD1 3.89Å; F493-L499 HydrophobicContact CE1-CD1 3.53Å; F494-L499 HydrophobicContact CB-CB 4.43Å; F494-L499 HydrophobicContact CD1-CB 3.67Å; F494-L499 HydrophobicContact CD1-CD1 3.95Å; F494-L499 HydrophobicContact CD1-CG 4.44Å; F494-L499 HydrophobicContact CE1-CB 4.36Å; F494-L499 HydrophobicContact CE1-CD1 4.17Å; F494-L499 HydrophobicContact CG-CB 4.42Å; F494-L499 HydrophobicContact CG-CD1 4.43Å; F494-L499 PolarHBondContact O-N 3.4Å; F497-L499 HydrophobicContact CB-CD1 4.39Å; F497-L499 HydrophobicContact CB-CD2 4.08Å; F497-L499 HydrophobicContact CB-CG 3.79Å; F497-L499 PolarHBondContact O-N 3.16Å; F497-L499 VanDerWaalsContact O-N 3.13Å; L499-L502 HydrophobicContact CD2-CD1 4.21Å; L499-L502 PolarHBondContact O-N 3.41Å; L499-L503 WeakPolarHBondContact O-CB 3.43Å; L499-L503 WeakPolarHBondContact O-CD1 3.41Å; L499-L503 WeakPolarHBondContact O-CG 3.42Å; L499-L503 PolarHBondContact O-N 3.41Å
500D86.7Confident82.8Confident64 Ų6496.8 Ų96.834%0.34249%0.486SS..Hα-helixtrans-56.6-47.8169.648.60.5000112S495 S498 L503 V504S495-D500 PolarHBondContact OG-OD2 3.4Å; S498-D500 VanDerWaalsContact C-OD1 3.25Å; S498-D500 WeakPolarHBondContact CA-OD1 3.29Å; S498-D500 PolarHBondContact O-N 2.94Å; D500-L503 PolarHBondContact O-N 2.89Å; D500-V504 WeakPolarHBondContact O-CG2 3.5Å; D500-V504 PolarHBondContact O-N 3.27Å
501V89.9Confident84.9Confident62 Ų6297.1 Ų97.138%0.37648%0.484SS..Hα-helixtrans-67.9-41.7177-176.70000111.7S498 L503 V504 Y505S498-V501 PolarHBondContact O-N 3.17Å; S498-V501 VanDerWaalsContact O-N 3.11Å; V501-L503 VanDerWaalsContact C-N 3.3Å; V501-L503 PolarHBondContact O-N 3.15Å; V501-V504 WeakPolarHBondContact O-CB 3.33Å; V501-V504 PolarHBondContact O-N 3.19Å; V501-V504 VanDerWaalsContact O-N 3.16Å; V501-Y505 HydrophobicContact CG1-CD2 3.92Å; V501-Y505 HydrophobicContact CG1-CE2 3.48Å; V501-Y505 VanDerWaalsContact CG1-CE2 3.48Å; V501-Y505 PolarHBondContact O-N 3.47Å
502L93.5Very high87Confident85 Ų8596.9 Ų96.945%0.44548%0.48SS..Hα-helixtrans-62.5-38.1177.4-72.9171.2000111.4S498 L499 V504 Y505 Q506S498-L502 WeakPolarHBondContact O-CB 3.4Å; S498-L502 VanDerWaalsContact O-CG 3.31Å; S498-L502 WeakPolarHBondContact O-CG 3.48Å; S498-L502 PolarHBondContact O-N 2.94Å; L499-L502 HydrophobicContact CD2-CD1 4.21Å; L499-L502 PolarHBondContact O-N 3.41Å; L502-V504 VanDerWaalsContact C-N 3.34Å; L502-Y505 PolarHBondContact O-N 3.34Å; L502-Q506 WeakPolarHBondContact O-CB 3.39Å; L502-Q506 WeakPolarHBondContact O-CG 3.48Å; L502-Q506 PolarHBondContact O-N 3.39Å
503L92.9Very high88.6Confident94 Ų9496.5 Ų96.549%0.49248%0.477SS..Hα-helixtrans-62.3-39.9173.8-75167.1000111.8L499 D500 V501 Q506 S507L499-L503 WeakPolarHBondContact O-CB 3.43Å; L499-L503 WeakPolarHBondContact O-CD1 3.41Å; L499-L503 WeakPolarHBondContact O-CG 3.42Å; L499-L503 PolarHBondContact O-N 3.41Å; D500-L503 PolarHBondContact O-N 2.89Å; V501-L503 VanDerWaalsContact C-N 3.3Å; V501-L503 PolarHBondContact O-N 3.15Å; L503-Q506 PolarHBondContact O-N 3.39Å; L503-S507 WeakPolarHBondContact O-CB 3.46Å; L503-S507 PolarHBondContact O-N 2.91Å; L503-S507 PolarHBondContact O-OG 3.09Å
504V94.4Very high89.8Confident84 Ų8497.1 Ų97.151%0.50948%0.479SS..Hα-helixtrans-64.2-48174.5174.50000111.1D500 V501 L502 Q506 S507 I508D500-V504 WeakPolarHBondContact O-CG2 3.5Å; D500-V504 PolarHBondContact O-N 3.27Å; V501-V504 WeakPolarHBondContact O-CB 3.33Å; V501-V504 PolarHBondContact O-N 3.19Å; V501-V504 VanDerWaalsContact O-N 3.16Å; L502-V504 VanDerWaalsContact C-N 3.34Å; V504-Q506 VanDerWaalsContact C-N 3.34Å; V504-Q506 PolarHBondContact O-N 3.28Å; V504-S507 WeakPolarHBondContact O-CB 3.36Å; V504-S507 PolarHBondContact O-N 3Å; V504-I508 HydrophobicContact CG1-CD1 4Å; V504-I508 WeakPolarHBondContact O-CG1 3.48Å; V504-I508 PolarHBondContact O-N 3.23Å
505Y95Very high90.9Very high153 Ų15398.4 Ų98.460%0.649%0.491SS*.Hα-helixtrans-61.6-40.5177.1-72.3-45.1000112.8V501 L502 S507 I508 F509V501-Y505 HydrophobicContact CG1-CD2 3.92Å; V501-Y505 HydrophobicContact CG1-CE2 3.48Å; V501-Y505 VanDerWaalsContact CG1-CE2 3.48Å; V501-Y505 PolarHBondContact O-N 3.47Å; L502-Y505 PolarHBondContact O-N 3.34Å; Y505-S507 VanDerWaalsContact C-N 3.32Å; Y505-S507 PolarHBondContact O-N 3.3Å; Y505-I508 PolarHBondContact O-N 2.96Å; Y505-F509 WeakPolarHBondContact O-CB 3.37Å; Y505-F509 PolarHBondContact O-N 3.05Å
506Q95.7Very high91.7Very high119 Ų119100 Ų10056%0.55651%0.507SS*.Hα-helixtrans-61.9-41.1175-77.3178.9-1.800111.6L502 L503 V504 F509 I510L502-Q506 WeakPolarHBondContact O-CB 3.39Å; L502-Q506 WeakPolarHBondContact O-CG 3.48Å; L502-Q506 PolarHBondContact O-N 3.39Å; L503-Q506 PolarHBondContact O-N 3.39Å; V504-Q506 VanDerWaalsContact C-N 3.34Å; V504-Q506 PolarHBondContact O-N 3.28Å; Q506-F509 PolarHBondContact O-N 3.43Å; Q506-I510 WeakPolarHBondContact O-CB 3.47Å; Q506-I510 WeakPolarHBondContact O-CD1 3.44Å; Q506-I510 WeakPolarHBondContact O-CG1 3.35Å; Q506-I510 PolarHBondContact O-N 3.02Å
507S96.1Very high92.2Very high64 Ų64100 Ų10045%0.44852%0.522SS..Hα-helixtrans-64.6-43.8177.8-62.80000111.9L503 V504 Y505 I510 I511L503-S507 WeakPolarHBondContact O-CB 3.46Å; L503-S507 PolarHBondContact O-N 2.91Å; L503-S507 PolarHBondContact O-OG 3.09Å; V504-S507 WeakPolarHBondContact O-CB 3.36Å; V504-S507 PolarHBondContact O-N 3Å; Y505-S507 VanDerWaalsContact C-N 3.32Å; Y505-S507 PolarHBondContact O-N 3.3Å; S507-I510 PolarHBondContact O-N 3.25Å; S507-I511 VanDerWaalsContact O-CG1 3.27Å; S507-I511 WeakPolarHBondContact O-CG1 3.44Å; S507-I511 PolarHBondContact O-N 3.37Å
508I96.1Very high92.7Very high83 Ų8399.5 Ų99.543%0.42652%0.524SS..Hα-helixtrans-61.7-45.4175.2-65.9168.1000110.9V504 Y505 I510 I511 M512V504-I508 HydrophobicContact CG1-CD1 4Å; V504-I508 WeakPolarHBondContact O-CG1 3.48Å; V504-I508 PolarHBondContact O-N 3.23Å; Y505-I508 PolarHBondContact O-N 2.96Å; I508-I510 PolarHBondContact O-N 3.46Å; I508-I511 PolarHBondContact O-N 2.67Å; I508-M512 HydrophobicContact CG2-CE 4.13Å; I508-M512 HydrophobicContact CG2-CG 4.48Å; I508-M512 HydrophobicContact CG2-SD 4.4Å; I508-M512 WeakPolarHBondContact O-CG 3.26Å; I508-M512 PolarHBondContact O-N 3.22Å
509F95.4Very high93Very high137 Ų137101.8 Ų101.860%0.60153%0.531SS*.Hα-helixtrans-60.7-43.8178.5-177.7-95000112.1Y505 Q506 M512 F513Y505-F509 WeakPolarHBondContact O-CB 3.37Å; Y505-F509 PolarHBondContact O-N 3.05Å; Q506-F509 PolarHBondContact O-N 3.43Å; F509-M512 PolarHBondContact O-N 3.38Å; F509-F513 WeakPolarHBondContact O-CB 3.2Å; F509-F513 PolarHBondContact O-N 3.22Å
510I96.3Very high93.4Very high89 Ų89104.5 Ų104.546%0.45655%0.545SS..Hα-helixtrans-62.1-45.6176.8-69.7165.7000110.7Q506 S507 I508 M512 F513 F514Q506-I510 WeakPolarHBondContact O-CB 3.47Å; Q506-I510 WeakPolarHBondContact O-CD1 3.44Å; Q506-I510 WeakPolarHBondContact O-CG1 3.35Å; Q506-I510 PolarHBondContact O-N 3.02Å; S507-I510 PolarHBondContact O-N 3.25Å; I508-I510 PolarHBondContact O-N 3.46Å; I510-M512 PolarHBondContact O-N 3.06Å; I510-F513 WeakPolarHBondContact O-CB 3.42Å; I510-F513 PolarHBondContact O-N 3.16Å; I510-F514 HydrophobicContact CG2-CD2 3.69Å; I510-F514 HydrophobicContact CG2-CE2 3.6Å; I510-F514 VanDerWaalsContact O-CD2 3.23Å; I510-F514 WeakPolarHBondContact O-CD2 3.46Å; I510-F514 PolarHBondContact O-N 2.82Å
511I96.4Very high93.7Very high102 Ų102106.9 Ų106.952%0.52356%0.557SS.*Hα-helixtrans-60.6-46.2177.8-68.5164.6000111S507 I508 F513 F514 L515S507-I511 VanDerWaalsContact O-CG1 3.27Å; S507-I511 WeakPolarHBondContact O-CG1 3.44Å; S507-I511 PolarHBondContact O-N 3.37Å; I508-I511 PolarHBondContact O-N 2.67Å; I511-F513 VanDerWaalsContact C-N 3.32Å; I511-F513 PolarHBondContact O-N 3.28Å; I511-F514 PolarHBondContact O-N 3.34Å; I511-L515 HydrophobicContact CG2-CD1 3.91Å; I511-L515 HydrophobicContact CG2-CG 4.44Å; I511-L515 WeakPolarHBondContact O-CG 3.34Å; I511-L515 PolarHBondContact O-N 3.32Å
512M95Very high94Very high110 Ų110109.7 Ų109.754%0.54257%0.568SS.*Hα-helixtrans-63.4-38.6177.7-70.5-169.1-56.400112.3I508 F509 I510 L515 A516I508-M512 HydrophobicContact CG2-CE 4.13Å; I508-M512 HydrophobicContact CG2-CG 4.48Å; I508-M512 HydrophobicContact CG2-SD 4.4Å; I508-M512 WeakPolarHBondContact O-CG 3.26Å; I508-M512 PolarHBondContact O-N 3.22Å; F509-M512 PolarHBondContact O-N 3.38Å; I510-M512 PolarHBondContact O-N 3.06Å; M512-L515 PolarHBondContact O-N 3.29Å; M512-A516 WeakPolarHBondContact O-CB 3.23Å; M512-A516 PolarHBondContact O-N 2.99Å; M512-A516 VanDerWaalsContact O-N 3.13Å
513F95.2Very high94Very high125 Ų125111.3 Ų111.355%0.54858%0.577SS.*Hα-helixtrans-60.3-45175.9-177.1-95.1000111.3F509 I510 I511 A516 T517F509-F513 WeakPolarHBondContact O-CB 3.2Å; F509-F513 PolarHBondContact O-N 3.22Å; I510-F513 WeakPolarHBondContact O-CB 3.42Å; I510-F513 PolarHBondContact O-N 3.16Å; I511-F513 VanDerWaalsContact C-N 3.32Å; I511-F513 PolarHBondContact O-N 3.28Å; F513-A516 PolarHBondContact O-N 3.01Å; F513-T517 HydrophobicContact CE1-CG2 4.31Å; F513-T517 HydrophobicContact CZ-CG2 4.43Å; F513-T517 PolarHBondContact O-N 3.14Å; F513-T517 PolarHBondContact O-OG1 3.22Å
514F94Very high94.1Very high140 Ų140112.6 Ų112.661%0.61458%0.583SS**Hα-helixtrans-70.6-26.6177-80.9-68.5000114.5I510 I511 A516 T517I510-F514 HydrophobicContact CG2-CD2 3.69Å; I510-F514 HydrophobicContact CG2-CE2 3.6Å; I510-F514 VanDerWaalsContact O-CD2 3.23Å; I510-F514 WeakPolarHBondContact O-CD2 3.46Å; I510-F514 PolarHBondContact O-N 2.82Å; I511-F514 PolarHBondContact O-N 3.34Å; F514-A516 VanDerWaalsContact C-N 3.34Å; F514-T517 PolarHBondContact O-OG1 3.46Å
515L93.2Very high94.1Very high141 Ų141114.8 Ų114.874%0.73859%0.588SS**Hα-helixtrans-78.1-19.8174.4-71.6170.5000113I511 M512I511-L515 HydrophobicContact CG2-CD1 3.91Å; I511-L515 HydrophobicContact CG2-CG 4.44Å; I511-L515 WeakPolarHBondContact O-CG 3.34Å; I511-L515 PolarHBondContact O-N 3.32Å; M512-L515 PolarHBondContact O-N 3.29Å
516A89.6Confident94Very high90 Ų90111.6 Ų111.674%0.74459%0.587SS**Hα-helixtrans-91.6-21.1-179.800000113.7M512 F513 F514M512-A516 WeakPolarHBondContact O-CB 3.23Å; M512-A516 PolarHBondContact O-N 2.99Å; M512-A516 VanDerWaalsContact O-N 3.13Å; F513-A516 PolarHBondContact O-N 3.01Å; F514-A516 VanDerWaalsContact C-N 3.34Å
517T85Confident93.8Very high139 Ų139110.9 Ų110.985%0.85359%0.59SS**  trans-87.40170.354.40000110.9F513 F514F513-T517 HydrophobicContact CE1-CG2 4.31Å; F513-T517 HydrophobicContact CZ-CG2 4.43Å; F513-T517 PolarHBondContact O-N 3.14Å; F513-T517 PolarHBondContact O-OG1 3.22Å; F514-T517 PolarHBondContact O-OG1 3.46Å

Retrieved 517 of 517 residues in 223.4 ms (Link to these results)

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