A0A087XGM9_POEFO Loading...

TIR domain-containing adapter molecule 1-like

AlphaFold DB , UniProt , Accession A0A087XGM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 565 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
1M32.3Very low48.8Very low221 Ų221102.3 Ų102.3100%1.08953%0.528SS*.  0128.60-71.3169.4175.200106.2
2N28.9Very low51.6Low115 Ų11595.2 Ų95.262%0.61550%0.499SS*.  trans-95.9150.4-163.7-64.6-13.8000110.2T4 E5N2-T4 PolarHBondContact O-N 3.26Å; N2-T4 VanDerWaalsContact O-N 3.08Å; N2-E5 PolarHBondContact N-OE2 3.48Å; N2-E5 PolarHBondContact O-N 3.26Å
3H38.6Very low54.1Low177 Ų17788.1 Ų88.182%0.81946%0.462SS*.G310 helixtrans-56.7-29.4-177.3-75.8-90.4000113.1E5 L6H3-E5 VanDerWaalsContact C-N 3.33Å; H3-E5 PolarHBondContact O-N 3.12Å; H3-L6 PolarHBondContact O-N 2.85Å
4T41.4Very low56.2Low79 Ų7987.5 Ų87.549%0.48545%0.45SS..G310 helixtrans-66.3-20.7176.632.40000115.4N2 L6N2-T4 PolarHBondContact O-N 3.26Å; N2-T4 VanDerWaalsContact O-N 3.08Å; T4-L6 VanDerWaalsContact C-N 3.32Å
5E40.2Very low58.1Low123 Ų12382.8 Ų82.858%0.57543%0.43SS*.G310 helixtrans-75.3-23178.3-69.5178.4109.100112.5N2 H3 E7N2-E5 PolarHBondContact N-OE2 3.48Å; N2-E5 PolarHBondContact O-N 3.26Å; H3-E5 VanDerWaalsContact C-N 3.33Å; H3-E5 PolarHBondContact O-N 3.12Å; E5-E7 VanDerWaalsContact C-N 3.31Å; E5-E7 PolarHBondContact O-N 3.32Å
6L46.2Very low59.9Low85 Ų8577.6 Ų77.645%0.44540%0.403SS..G310 helixtrans-80.9-10.4-178.1-150.274.9000113.4H3 T4 R130H3-L6 PolarHBondContact O-N 2.85Å; T4-L6 VanDerWaalsContact C-N 3.32Å; L6-R130 HydrophobicContact CD2-CG 4.07Å
7E47.4Very low61.4Low53 Ų5373.2 Ų73.225%0.24838%0.38CS..THydrogen-bonded Turntrans-82.1-24.1-170.5-50.3-145.597.200113.2E5 Q9 R130E5-E7 VanDerWaalsContact C-N 3.31Å; E5-E7 PolarHBondContact O-N 3.32Å; E7-Q9 PolarHBondContact O-N 2.99Å; E7-R130 IonicContact OE1-NH2 3.17Å; E7-R130 PolarHBondContact OE1-NH2 2.95Å
8N52.6Low62.8Low139 Ų13971.2 Ų71.274%0.74337%0.369SS*.THydrogen-bonded Turntrans-78.12.1-172-61.8-54.8000114.7G10N8-G10 PolarHBondContact O-N 3.48Å
9Q61.8Low64.1Low102 Ų10269.1 Ų69.148%0.47736%0.359SS..SBendtrans-85.524.7-177.7-59.9-1705.400114E7 T11 L126E7-Q9 PolarHBondContact O-N 2.99Å; Q9-T11 PolarHBondContact O-N 3.19Å; Q9-L126 HydrophobicContact CB-CD1 4.03Å; Q9-L126 HydrophobicContact CB-CD2 3.56Å; Q9-L126 HydrophobicContact CB-CG 4.45Å
10G70.4Confident65.3Low30 Ų3065.7 Ų65.731%0.30934%0.341SS..SBendtrans68.514.6174.400000115.6N8 A15N8-G10 PolarHBondContact O-N 3.48Å; G10-A15 WeakPolarHBondContact O-CB 3.47Å
11T77.4Confident66.3Low1 Ų166.6 Ų66.61%0.00634%0.344CS..  trans-117.722.7-175.550.50000113.7Q9 L106 F110 L123 L126 A127Q9-T11 PolarHBondContact O-N 3.19Å; T11-L106 VanDerWaalsContact O-CD2 3.31Å; T11-L106 WeakPolarHBondContact O-CD2 3.45Å; T11-F110 HydrophobicContact CG2-CE2 4.48Å; T11-L123 HydrophobicContact CG2-CD2 4.41Å; T11-L123 VanDerWaalsContact CG2-O 3.26Å; T11-L123 WeakPolarHBondContact CG2-O 3.26Å; T11-L126 HydrophobicContact CG2-CB 4.06Å; T11-L126 HydrophobicContact CG2-CD2 3.46Å; T11-L126 VanDerWaalsContact CG2-CD2 3.46Å; T11-L126 HydrophobicContact CG2-CG 4.33Å; T11-L126 VanDerWaalsContact OG1-CD2 3.29Å; T11-L126 WeakPolarHBondContact OG1-CD2 3.35Å; T11-A127 HydrophobicContact CG2-CB 3.92Å
12G82.6Confident68.9Low17 Ų1763.9 Ų63.918%0.17533%0.326CS..SBendtrans-87.2167.5168.600000112.6R14 A15 V16G12-R14 PolarHBondContact O-N 2.86Å; G12-A15 WeakPolarHBondContact O-CB 3.46Å; G12-A15 PolarHBondContact O-N 3.12Å; G12-V16 PolarHBondContact O-N 3.13Å
13L83.6Confident71.7Confident3 Ų359.1 Ų59.12%0.01630%0.302CS..Hα-helixtrans-58.4-33175.7-178.759.5000112.7A15 V16 F17 L70 L74 C92 F95L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.36Å; L13-V16 WeakPolarHBondContact O-CB 3.5Å; L13-V16 PolarHBondContact O-N 3.34Å; L13-F17 PolarHBondContact O-N 3.42Å; L13-F17 VanDerWaalsContact O-N 3.09Å; L13-L70 HydrophobicContact CD1-CD1 4.15Å; L13-L70 HydrophobicContact CD2-CD1 3.92Å; L13-L74 HydrophobicContact CD1-CD2 4.33Å; L13-L74 HydrophobicContact CD2-CD2 3.89Å; L13-L74 HydrophobicContact CD2-CG 4.25Å; L13-L74 HydrophobicContact CG-CD2 4.48Å; L13-C92 HydrophobicContact CG-CB 4.27Å; L13-F95 HydrophobicContact CB-CB 4.23Å; L13-F95 HydrophobicContact CB-CD1 3.86Å; L13-F95 HydrophobicContact CB-CG 4.4Å; L13-F95 HydrophobicContact CD2-CB 3.92Å; L13-F95 HydrophobicContact CD2-CD1 3.9Å; L13-F95 HydrophobicContact CD2-CG 3.9Å
14R83.5Confident74Confident80 Ų8054.9 Ų54.930%0.30229%0.29SS..Hα-helixtrans-52.3-45.7169.6178.967.8-149.6-152.313.4112.7G12 F17 D18 G89 C92G12-R14 PolarHBondContact O-N 2.86Å; R14-F17 WeakPolarHBondContact O-CB 3.28Å; R14-F17 PolarHBondContact O-N 3.01Å; R14-D18 IonicContact CZ-OD1 3.25Å; R14-D18 IonicContact NE-OD1 3.72Å; R14-D18 PolarHBondContact NE-OD1 3.45Å; R14-D18 IonicContact NE-OD2 3.21Å; R14-D18 PolarHBondContact NE-OD2 2.93Å; R14-D18 IonicContact NH2-OD1 2.76Å; R14-D18 PolarHBondContact NH2-OD1 2.96Å; R14-D18 PolarHBondContact O-N 2.85Å; R14-G89 WeakPolarHBondContact CD-O 3.47Å; R14-G89 PolarHBondContact NH1-O 3.5Å; R14-C92 PolarHBondContact N-O 2.91Å
15A85.1Confident76Confident17 Ų1754.5 Ų54.514%0.1429%0.291CS..Hα-helixtrans-71.3-32.5-177.600000112.5G10 G12 L13 F17 D18 I19 F110G10-A15 WeakPolarHBondContact O-CB 3.47Å; G12-A15 WeakPolarHBondContact O-CB 3.46Å; G12-A15 PolarHBondContact O-N 3.12Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 3.36Å; A15-F17 VanDerWaalsContact C-N 3.34Å; A15-D18 PolarHBondContact O-N 3.36Å; A15-I19 WeakPolarHBondContact O-CB 3.45Å; A15-I19 WeakPolarHBondContact O-CD1 3.3Å; A15-I19 WeakPolarHBondContact O-CG1 3.37Å; A15-I19 PolarHBondContact O-N 2.73Å; A15-F110 HydrophobicContact CB-CZ 4.34Å
16V87Confident78.2Confident0 Ų056.2 Ų56.20%030%0.299CS..Hα-helixtrans-59.1-46.6168.8166.30000110.5G12 L13 I19 L20 L47 L106 V109 F110 L113G12-V16 PolarHBondContact O-N 3.13Å; L13-V16 WeakPolarHBondContact O-CB 3.5Å; L13-V16 PolarHBondContact O-N 3.34Å; V16-I19 PolarHBondContact O-N 3.14Å; V16-L20 HydrophobicContact CG1-CD1 4.27Å; V16-L20 WeakPolarHBondContact O-CG 3.16Å; V16-L20 PolarHBondContact O-N 3.04Å; V16-L47 HydrophobicContact CG1-CD1 3.79Å; V16-L106 HydrophobicContact CG2-CD1 3.86Å; V16-V109 HydrophobicContact CB-CG1 4.46Å; V16-V109 HydrophobicContact CG1-CG1 3.8Å; V16-V109 HydrophobicContact CG2-CG1 3.79Å; V16-F110 HydrophobicContact CG2-CD2 4.2Å; V16-F110 HydrophobicContact CG2-CE1 4.12Å; V16-F110 HydrophobicContact CG2-CE2 3.64Å; V16-F110 HydrophobicContact CG2-CZ 3.58Å; V16-L113 HydrophobicContact CB-CD1 4.37Å; V16-L113 HydrophobicContact CG1-CD1 4.11Å; V16-L113 HydrophobicContact CG2-CD1 4Å
17F85.6Confident80.1Confident2 Ų256.2 Ų56.21%0.00929%0.293CS..Hα-helixtrans-63.2-49.1176.9-173.4-90.4000111.6L13 R14 A15 I19 L20 E21 L47 I50 I51 L85 F88L13-F17 PolarHBondContact O-N 3.42Å; L13-F17 VanDerWaalsContact O-N 3.09Å; R14-F17 WeakPolarHBondContact O-CB 3.28Å; R14-F17 PolarHBondContact O-N 3.01Å; A15-F17 VanDerWaalsContact C-N 3.34Å; F17-I19 PolarHBondContact O-N 2.82Å; F17-I19 VanDerWaalsContact O-N 3.13Å; F17-L20 PolarHBondContact O-N 3.4Å; F17-E21 HydrophobicContact CE1-CB 4.34Å; F17-E21 WeakPolarHBondContact O-CB 3.41Å; F17-E21 PolarHBondContact O-N 2.8Å; F17-L47 HydrophobicContact CD2-CD2 4.45Å; F17-I50 HydrophobicContact CE2-CG2 4.38Å; F17-I51 HydrophobicContact CD2-CD1 4.48Å; F17-I51 HydrophobicContact CE2-CD1 4.22Å; F17-I51 HydrophobicContact CE2-CG1 3.89Å; F17-I51 HydrophobicContact CZ-CG1 4.2Å; F17-L85 HydrophobicContact CE2-CD1 4.07Å; F17-L85 HydrophobicContact CZ-CD1 3.67Å; F17-L85 HydrophobicContact CZ-CG 3.97Å; F17-F88 HydrophobicContact CD2-CD1 4.15Å; F17-F88 HydrophobicContact CD2-CE1 4.06Å; F17-F88 AromaticContact CE2-CD1 3.69Å; F17-F88 HydrophobicContact CE2-CD1 3.69Å; F17-F88 AromaticContact CE2-CE1 3.93Å; F17-F88 HydrophobicContact CE2-CE1 3.93Å; F17-F88 HydrophobicContact CZ-CD1 4.29Å
18D86.1Confident81.9Confident37 Ų3753.9 Ų53.920%0.19828%0.282CS..Hα-helixtrans-60.7-22.3178.2-66-30.4000114.2R14 A15 K22R14-D18 IonicContact CZ-OD1 3.25Å; R14-D18 IonicContact NE-OD1 3.72Å; R14-D18 PolarHBondContact NE-OD1 3.45Å; R14-D18 IonicContact NE-OD2 3.21Å; R14-D18 PolarHBondContact NE-OD2 2.93Å; R14-D18 IonicContact NH2-OD1 2.76Å; R14-D18 PolarHBondContact NH2-OD1 2.96Å; R14-D18 PolarHBondContact O-N 2.85Å; A15-D18 PolarHBondContact O-N 3.36Å; D18-K22 WeakPolarHBondContact O-CD 3.45Å; D18-K22 VanDerWaalsContact O-CE 3.31Å; D18-K22 WeakPolarHBondContact O-CE 3.1Å; D18-K22 VanDerWaalsContact O-CG 3.24Å; D18-K22 WeakPolarHBondContact O-CG 3.5Å; D18-K22 PolarHBondContact O-NZ 3.46Å; D18-K22 VanDerWaalsContact O-NZ 3.13Å
19I87.6Confident83.4Confident32 Ų3250.3 Ų50.316%0.16426%0.263CS..Hα-helixtrans-80.5-43.9174.4-76163.8000110.3A15 V16 F17 K22 A23 F110 L118 C119A15-I19 WeakPolarHBondContact O-CB 3.45Å; A15-I19 WeakPolarHBondContact O-CD1 3.3Å; A15-I19 WeakPolarHBondContact O-CG1 3.37Å; A15-I19 PolarHBondContact O-N 2.73Å; V16-I19 PolarHBondContact O-N 3.14Å; F17-I19 PolarHBondContact O-N 2.82Å; F17-I19 VanDerWaalsContact O-N 3.13Å; I19-K22 PolarHBondContact O-N 3.03Å; I19-A23 PolarHBondContact O-N 2.89Å; I19-F110 HydrophobicContact CD1-CE1 4.16Å; I19-L118 HydrophobicContact CG2-CB 3.9Å; I19-L118 WeakPolarHBondContact CG2-O 3.41Å; I19-C119 HydrophobicContact CD1-CB 4.16Å
20L87.3Confident84.5Confident0 Ų046.8 Ų46.80%025%0.25CC..Hα-helixtrans-71.3-38.2178.9-66.9172.6000111.9V16 F17 K22 A23 L28 L31 I44 L47 I51 L113 L118V16-L20 HydrophobicContact CG1-CD1 4.27Å; V16-L20 WeakPolarHBondContact O-CG 3.16Å; V16-L20 PolarHBondContact O-N 3.04Å; F17-L20 PolarHBondContact O-N 3.4Å; L20-K22 PolarHBondContact O-N 3.35Å; L20-A23 WeakPolarHBondContact O-CB 3.14Å; L20-A23 PolarHBondContact O-N 3.13Å; L20-L28 HydrophobicContact CB-CD2 4.22Å; L20-L28 HydrophobicContact CD2-CD2 4.07Å; L20-L31 HydrophobicContact CD2-CD1 4.36Å; L20-I44 HydrophobicContact CD1-CG2 4.41Å; L20-I44 HydrophobicContact CD2-CG2 4.42Å; L20-L47 HydrophobicContact CD1-CB 3.71Å; L20-L47 HydrophobicContact CD1-CD1 4.15Å; L20-I51 HydrophobicContact CB-CD1 3.47Å; L20-I51 VanDerWaalsContact CB-CD1 3.47Å; L20-L113 HydrophobicContact CD2-CD2 3.89Å; L20-L113 HydrophobicContact CG-CD2 4.37Å; L20-L118 HydrophobicContact CD2-CD1 4.18Å
21E87.3Confident85.1Confident86 Ų8645.4 Ų45.440%0.40224%0.235SC..THydrogen-bonded Turntrans-61-32.2175.5-174.9-179.5-161.900112.3F17F17-E21 HydrophobicContact CE1-CB 4.34Å; F17-E21 WeakPolarHBondContact O-CB 3.41Å; F17-E21 PolarHBondContact O-N 2.8Å
22K87.3Confident85.3Confident164 Ų16446.5 Ų46.571%0.71324%0.242SC*.THydrogen-bonded Turntrans-84.4-6.9176.4-68.4170.8-163.8135.10113.7D18 I19 L20D18-K22 WeakPolarHBondContact O-CD 3.45Å; D18-K22 VanDerWaalsContact O-CE 3.31Å; D18-K22 WeakPolarHBondContact O-CE 3.1Å; D18-K22 VanDerWaalsContact O-CG 3.24Å; D18-K22 WeakPolarHBondContact O-CG 3.5Å; D18-K22 PolarHBondContact O-NZ 3.46Å; D18-K22 VanDerWaalsContact O-NZ 3.13Å; I19-K22 PolarHBondContact O-N 3.03Å; L20-K22 PolarHBondContact O-N 3.35Å
23A87.6Confident85.3Confident14 Ų1452 Ų5212%0.11627%0.266CS..SBendtrans-81.8138.9176.300000110.4I19 L20 L28 L118I19-A23 PolarHBondContact O-N 2.89Å; L20-A23 WeakPolarHBondContact O-CB 3.14Å; L20-A23 PolarHBondContact O-N 3.13Å; A23-L28 HydrophobicContact CB-CD2 4.11Å; A23-L28 HydrophobicContact CB-CG 4.28Å; A23-L118 HydrophobicContact CB-CD2 4.39Å
24P85.8Confident85.1Confident88 Ų8857.8 Ų57.857%0.57129%0.293SS*.  trans-64.4148.7177.726.1-32.7000111E26 R27 L28P24-E26 PolarHBondContact O-N 2.81Å; P24-E26 VanDerWaalsContact O-N 3.16Å; P24-R27 HydrophobicContact CG-CB 3.92Å; P24-R27 WeakPolarHBondContact O-CA 3.48Å; P24-R27 VanDerWaalsContact O-CB 3.31Å; P24-R27 WeakPolarHBondContact O-CB 3.19Å; P24-R27 PolarHBondContact O-N 3.45Å; P24-L28 PolarHBondContact O-N 3.39Å; P24-L28 VanDerWaalsContact O-N 3.11Å
25S83.8Confident85Confident72 Ų7254.9 Ų54.950%0.50328%0.283SS..Hα-helixtrans-56.5-34.4-174.851.80000113.8R27 L28 L29S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.04Å; S25-L28 PolarHBondContact O-N 2.83Å; S25-L29 WeakPolarHBondContact O-CG 3.26Å; S25-L29 PolarHBondContact O-N 3.4Å
26E85.3Confident84.6Confident159 Ų15955.8 Ų55.874%0.74329%0.294SS*.Hα-helixtrans-60-39.1172.2-62.7176.5179.400112.5P24 L29 S30P24-E26 PolarHBondContact O-N 2.81Å; P24-E26 VanDerWaalsContact O-N 3.16Å; E26-L29 PolarHBondContact O-N 3.05Å; E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 2.87Å
27R86.4Confident84.2Confident85 Ų8562.4 Ų62.432%0.32133%0.325SS..Hα-helixtrans-71.5-40.4177.1-168.566.8174.8153.94.1110.8P24 S25 L29 S30 L31 Q116 L118P24-R27 HydrophobicContact CG-CB 3.92Å; P24-R27 WeakPolarHBondContact O-CA 3.48Å; P24-R27 VanDerWaalsContact O-CB 3.31Å; P24-R27 WeakPolarHBondContact O-CB 3.19Å; P24-R27 PolarHBondContact O-N 3.45Å; S25-R27 VanDerWaalsContact C-N 3.31Å; S25-R27 PolarHBondContact O-N 3.04Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-S30 PolarHBondContact O-N 3.18Å; R27-L31 WeakPolarHBondContact O-CD1 3.3Å; R27-L31 VanDerWaalsContact O-CG 3.23Å; R27-L31 WeakPolarHBondContact O-CG 3.43Å; R27-L31 PolarHBondContact O-N 3.21Å; R27-Q116 PolarHBondContact NH2-O 3.15Å; R27-L118 HydrophobicContact CG-CD2 4.02Å
28L85.8Confident84.1Confident4 Ų464.1 Ų64.12%0.02134%0.337CS..Hα-helixtrans-61-41.5173-65175.5000112L20 A23 P24 S25 L31 T32 C48 I51 L52L20-L28 HydrophobicContact CB-CD2 4.22Å; L20-L28 HydrophobicContact CD2-CD2 4.07Å; A23-L28 HydrophobicContact CB-CD2 4.11Å; A23-L28 HydrophobicContact CB-CG 4.28Å; P24-L28 PolarHBondContact O-N 3.39Å; P24-L28 VanDerWaalsContact O-N 3.11Å; S25-L28 PolarHBondContact O-N 2.83Å; L28-L31 HydrophobicContact CD2-CD1 4.38Å; L28-L31 PolarHBondContact O-N 2.75Å; L28-T32 PolarHBondContact O-N 3.11Å; L28-T32 VanDerWaalsContact O-N 3.12Å; L28-C48 HydrophobicContact CD2-CB 4.34Å; L28-I51 HydrophobicContact CD1-CB 4.21Å; L28-I51 HydrophobicContact CD1-CG2 3.61Å; L28-L52 HydrophobicContact CB-CD1 4.06Å; L28-L52 HydrophobicContact CB-CD2 4.33Å; L28-L52 HydrophobicContact CB-CG 4.25Å; L28-L52 HydrophobicContact CD1-CD2 4.49Å
29L83.4Confident84Confident63 Ų6364.9 Ų64.933%0.3334%0.344SS..Hα-helixtrans-65-45.5174.3-73.4166.4000111.8S25 E26 R27 L31 T32 I33 L52S25-L29 WeakPolarHBondContact O-CG 3.26Å; S25-L29 PolarHBondContact O-N 3.4Å; E26-L29 PolarHBondContact O-N 3.05Å; R27-L29 VanDerWaalsContact C-N 3.34Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.4Å; L29-T32 PolarHBondContact O-N 3.07Å; L29-T32 VanDerWaalsContact O-N 3.14Å; L29-T32 PolarHBondContact O-OG1 3.03Å; L29-I33 PolarHBondContact O-N 3.43Å; L29-L52 HydrophobicContact CD2-CD1 3.78Å; L29-L52 HydrophobicContact CG-CD1 4Å; L29-L52 HydrophobicContact CG-CD2 4.48Å
30S85.8Confident84.1Confident29 Ų2964.1 Ų64.120%0.20334%0.34CS..Hα-helixtrans-57.3-42174.4173.80000111.9E26 R27 T32 I33 H34E26-S30 WeakPolarHBondContact O-CB 3.41Å; E26-S30 PolarHBondContact O-N 2.87Å; R27-S30 PolarHBondContact O-N 3.18Å; S30-T32 PolarHBondContact O-N 2.8Å; S30-I33 PolarHBondContact O-N 2.96Å; S30-I33 VanDerWaalsContact O-N 3.09Å; S30-H34 WeakPolarHBondContact O-CB 3.33Å; S30-H34 PolarHBondContact O-CD2 2.84Å; S30-H34 PolarHBondContact O-N 3.05Å
31L82.9Confident84.1Confident1 Ų165.4 Ų65.41%0.00535%0.347CS..Hα-helixtrans-60.6-43.4174.9-69162.4000112L20 R27 L28 L29 I33 H34 L35 Q116 L118L20-L31 HydrophobicContact CD2-CD1 4.36Å; R27-L31 WeakPolarHBondContact O-CD1 3.3Å; R27-L31 VanDerWaalsContact O-CG 3.23Å; R27-L31 WeakPolarHBondContact O-CG 3.43Å; R27-L31 PolarHBondContact O-N 3.21Å; L28-L31 HydrophobicContact CD2-CD1 4.38Å; L28-L31 PolarHBondContact O-N 2.75Å; L29-L31 VanDerWaalsContact C-N 3.3Å; L29-L31 PolarHBondContact O-N 3.4Å; L31-I33 PolarHBondContact O-N 3.3Å; L31-H34 PolarHBondContact O-N 3.17Å; L31-L35 HydrophobicContact CB-CD1 4.01Å; L31-L35 HydrophobicContact CB-CG 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.23Å; L31-L35 WeakPolarHBondContact O-CD1 3.5Å; L31-L35 WeakPolarHBondContact O-CG 3.03Å; L31-L35 PolarHBondContact O-N 2.53Å; L31-Q116 HydrophobicContact CD2-CB 3.91Å; L31-Q116 HydrophobicContact CD2-CG 3.63Å; L31-L118 HydrophobicContact CD1-CD1 3.61Å; L31-L118 HydrophobicContact CD2-CD1 4.13Å
32T81Confident84.1Confident23 Ų2361.4 Ų61.414%0.14133%0.328CS..Hα-helixtrans-63.3-13.1176.459.70000114.6L28 L29 S30 H45 C48 L49L28-T32 PolarHBondContact O-N 3.11Å; L28-T32 VanDerWaalsContact O-N 3.12Å; L29-T32 PolarHBondContact O-N 3.07Å; L29-T32 VanDerWaalsContact O-N 3.14Å; L29-T32 PolarHBondContact O-OG1 3.03Å; S30-T32 PolarHBondContact O-N 2.8Å; T32-H45 PolarHBondContact O-CE1 3.32Å; T32-H45 PolarHBondContact O-ND1 2.74Å; T32-C48 HydrophobicContact CG2-CB 3.75Å; T32-L49 HydrophobicContact CG2-CD2 4.27Å; T32-L49 HydrophobicContact CG2-CG 4.29Å
33I82.3Confident84.2Confident134 Ų13453.7 Ų53.769%0.68730%0.295SS*.Hα-helixtrans-103-33.2176.5-58.9167.2000111.6L29 S30 L31L29-I33 PolarHBondContact O-N 3.43Å; S30-I33 PolarHBondContact O-N 2.96Å; S30-I33 VanDerWaalsContact O-N 3.09Å; L31-I33 PolarHBondContact O-N 3.3Å
34H80.8Confident84.3Confident124 Ų12453 Ų5357%0.57429%0.289SS*.Hα-helixtrans-93.7-17.6-172.7-70.8-149.3000114.4S30 L31S30-H34 WeakPolarHBondContact O-CB 3.33Å; S30-H34 PolarHBondContact O-CD2 2.84Å; S30-H34 PolarHBondContact O-N 3.05Å; L31-H34 PolarHBondContact O-N 3.17Å
35L80.4Confident84.4Confident18 Ų1850.1 Ų50.19%0.09427%0.268CS..SBendtrans-76.2145.9177.5-68.8168.7000111.4L31 D41 I44 H45 I112L31-L35 HydrophobicContact CB-CD1 4.01Å; L31-L35 HydrophobicContact CB-CG 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.23Å; L31-L35 WeakPolarHBondContact O-CD1 3.5Å; L31-L35 WeakPolarHBondContact O-CG 3.03Å; L31-L35 PolarHBondContact O-N 2.53Å; L35-D41 HydrophobicContact CB-CB 4.15Å; L35-D41 VanDerWaalsContact CD2-OD1 3.28Å; L35-D41 WeakPolarHBondContact CD2-OD1 3.42Å; L35-I44 HydrophobicContact CD1-CB 3.96Å; L35-I44 HydrophobicContact CD1-CG2 3.62Å; L35-H45 HydrophobicContact CD1-CB 4.4Å; L35-I112 HydrophobicContact CD2-CG2 3.52Å
36G76.1Confident84.6Confident37 Ų3746.7 Ų46.738%0.38124%0.244SC..  trans-77.7-170.7-177.400000115S38 D41G36-S38 VanDerWaalsContact C-N 3.35Å; G36-D41 WeakPolarHBondContact CA-OD2 3.41Å; G36-D41 VanDerWaalsContact N-CG 3.27Å; G36-D41 PolarHBondContact N-OD2 3.22Å; G36-D41 VanDerWaalsContact O-CB 3.29Å; G36-D41 WeakPolarHBondContact O-CB 3.3Å
37E79.5Confident84.8Confident138 Ų13839.2 Ų39.265%0.64521%0.209SC*.SBendtrans-90.912173.1-76.4-112.2118.900113.1K64E37-K64 VanDerWaalsContact CD-NZ 3.3Å; E37-K64 IonicContact OE1-NZ 3.08Å; E37-K64 PolarHBondContact OE1-NZ 3.2Å; E37-K64 VanDerWaalsContact OE1-NZ 3.08Å; E37-K64 IonicContact OE2-NZ 2.88Å; E37-K64 PolarHBondContact OE2-NZ 2.97Å
38S84.5Confident84.9Confident39 Ų3935.1 Ų35.127%0.27319%0.194SC..SBendtrans-66.4158.2175.780.70000111.3G36 E40 D41 T42G36-S38 VanDerWaalsContact C-N 3.35Å; S38-E40 VanDerWaalsContact C-N 3.33Å; S38-E40 PolarHBondContact O-N 3.22Å; S38-D41 VanDerWaalsContact CB-OD2 3.3Å; S38-D41 WeakPolarHBondContact CB-OD2 3.46Å; S38-D41 PolarHBondContact O-N 3.47Å; S38-D41 VanDerWaalsContact OG-CB 3.23Å; S38-D41 WeakPolarHBondContact OG-CB 3.31Å; S38-D41 PolarHBondContact OG-N 3.15Å; S38-D41 PolarHBondContact OG-OD2 3.48Å; S38-T42 VanDerWaalsContact O-CB 3.26Å; S38-T42 WeakPolarHBondContact O-CB 3.36Å; S38-T42 PolarHBondContact O-N 3.12Å; S38-T42 PolarHBondContact O-OG1 3.46Å
39P83.4Confident84.9Confident53 Ų5335.2 Ų35.234%0.34419%0.194SC..Hα-helixtrans-65.5-38.1-179.921.4-25.9000111.5T42 I43 L65P39-T42 PolarHBondContact O-N 2.96Å; P39-I43 WeakPolarHBondContact O-CG1 3.37Å; P39-I43 PolarHBondContact O-N 3.36Å; P39-L65 HydrophobicContact CB-CD1 4.4Å; P39-L65 HydrophobicContact CB-CD2 3.92Å; P39-L65 WeakPolarHBondContact O-CD1 3.19Å
40E88.3Confident85.1Confident16 Ų1632.4 Ų32.48%0.07518%0.18CC..Hα-helixtrans-73.1-35.9177.4-58.592.8162.800112.9S38 T42 I43 I44 R108 V109 I112S38-E40 VanDerWaalsContact C-N 3.33Å; S38-E40 PolarHBondContact O-N 3.22Å; E40-T42 VanDerWaalsContact C-N 3.31Å; E40-T42 PolarHBondContact O-N 2.84Å; E40-I43 PolarHBondContact O-N 2.72Å; E40-I44 WeakPolarHBondContact O-CG1 3.46Å; E40-I44 PolarHBondContact O-N 3.41Å; E40-I44 VanDerWaalsContact O-N 3.15Å; E40-R108 HydrophobicContact CB-CB 4.3Å; E40-R108 HydrophobicContact CG-CB 3.78Å; E40-R108 WeakPolarHBondContact OE1-CD 3.24Å; E40-R108 IonicContact OE1-CZ 3.78Å; E40-R108 IonicContact OE1-NE 3.4Å; E40-R108 IonicContact OE1-NH1 2.7Å; E40-R108 PolarHBondContact OE1-NH1 3.49Å; E40-V109 HydrophobicContact CB-CG2 4.07Å; E40-V109 HydrophobicContact CG-CG2 4.5Å; E40-I112 HydrophobicContact CB-CD1 3.79Å
41D87.8Confident85.1Confident27 Ų2732.2 Ų32.214%0.14418%0.176CC..Hα-helixtrans-58.2-45.2167.3-76.5-51.1000111L35 G36 S38 I43 I44 H45L35-D41 HydrophobicContact CB-CB 4.15Å; L35-D41 VanDerWaalsContact CD2-OD1 3.28Å; L35-D41 WeakPolarHBondContact CD2-OD1 3.42Å; G36-D41 WeakPolarHBondContact CA-OD2 3.41Å; G36-D41 VanDerWaalsContact N-CG 3.27Å; G36-D41 PolarHBondContact N-OD2 3.22Å; G36-D41 VanDerWaalsContact O-CB 3.29Å; G36-D41 WeakPolarHBondContact O-CB 3.3Å; S38-D41 VanDerWaalsContact CB-OD2 3.3Å; S38-D41 WeakPolarHBondContact CB-OD2 3.46Å; S38-D41 PolarHBondContact O-N 3.47Å; S38-D41 VanDerWaalsContact OG-CB 3.23Å; S38-D41 WeakPolarHBondContact OG-CB 3.31Å; S38-D41 PolarHBondContact OG-N 3.15Å; S38-D41 PolarHBondContact OG-OD2 3.48Å; D41-I43 VanDerWaalsContact C-N 3.31Å; D41-I43 PolarHBondContact O-N 3.38Å; D41-I44 PolarHBondContact O-N 3.24Å; D41-H45 VanDerWaalsContact O-CB 3.3Å; D41-H45 WeakPolarHBondContact O-CB 3.21Å; D41-H45 PolarHBondContact O-N 3.32Å
42T87.9Confident85.2Confident2 Ų234 Ų341%0.01219%0.185CC..Hα-helixtrans-66.5-33.1-177.3-65.50000111.8S38 P39 E40 A46 K61 L65S38-T42 VanDerWaalsContact O-CB 3.26Å; S38-T42 WeakPolarHBondContact O-CB 3.36Å; S38-T42 PolarHBondContact O-N 3.12Å; S38-T42 PolarHBondContact O-OG1 3.46Å; P39-T42 PolarHBondContact O-N 2.96Å; E40-T42 VanDerWaalsContact C-N 3.31Å; E40-T42 PolarHBondContact O-N 2.84Å; T42-A46 WeakPolarHBondContact O-CB 3.47Å; T42-A46 PolarHBondContact O-N 2.79Å; T42-K61 HydrophobicContact CG2-CB 4.21Å; T42-K61 HydrophobicContact CG2-CD 4.09Å; T42-K61 WeakPolarHBondContact CG2-O 3.4Å; T42-L65 HydrophobicContact CG2-CD1 3.67Å; T42-L65 HydrophobicContact CG2-CD2 4.09Å; T42-L65 HydrophobicContact CG2-CG 3.86Å
43I88.8Confident85.3Confident1 Ų140.5 Ų40.51%0.00521%0.214CC..Hα-helixtrans-64.9-47.2170.6-72.4166.5000111.1P39 E40 D41 H45 A46 L47 L65 L70 A71 L74 V109P39-I43 WeakPolarHBondContact O-CG1 3.37Å; P39-I43 PolarHBondContact O-N 3.36Å; E40-I43 PolarHBondContact O-N 2.72Å; D41-I43 VanDerWaalsContact C-N 3.31Å; D41-I43 PolarHBondContact O-N 3.38Å; I43-H45 VanDerWaalsContact C-N 3.34Å; I43-H45 PolarHBondContact O-N 3.19Å; I43-A46 PolarHBondContact O-N 3.04Å; I43-L47 HydrophobicContact CG2-CD1 4.25Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.36Å; I43-L65 HydrophobicContact CD1-CD1 4.3Å; I43-L65 HydrophobicContact CG1-CD1 3.7Å; I43-L70 HydrophobicContact CD1-CB 4.23Å; I43-L70 HydrophobicContact CD1-CD2 4.11Å; I43-L70 HydrophobicContact CD1-CG 4.23Å; I43-L70 HydrophobicContact CG2-CD2 4.48Å; I43-A71 HydrophobicContact CD1-CB 4.25Å; I43-A71 HydrophobicContact CG1-CB 4.15Å; I43-L74 HydrophobicContact CG2-CD1 3.71Å; I43-V109 HydrophobicContact CG2-CG2 4.31Å
44I89.7Confident85.3Confident1 Ų139.6 Ų39.61%0.00520%0.202CC..Hα-helixtrans-64.4-41.5177.6-62.8168.4000110.6L20 L35 E40 D41 A46 L47 C48 V109 I112 L113L20-I44 HydrophobicContact CD1-CG2 4.41Å; L20-I44 HydrophobicContact CD2-CG2 4.42Å; L35-I44 HydrophobicContact CD1-CB 3.96Å; L35-I44 HydrophobicContact CD1-CG2 3.62Å; E40-I44 WeakPolarHBondContact O-CG1 3.46Å; E40-I44 PolarHBondContact O-N 3.41Å; E40-I44 VanDerWaalsContact O-N 3.15Å; D41-I44 PolarHBondContact O-N 3.24Å; I44-A46 VanDerWaalsContact C-N 3.34Å; I44-A46 PolarHBondContact O-N 2.91Å; I44-L47 PolarHBondContact O-N 2.8Å; I44-C48 PolarHBondContact O-N 3Å; I44-C48 PolarHBondContact O-SG 3.18Å; I44-V109 HydrophobicContact CD1-CB 4.44Å; I44-V109 HydrophobicContact CD1-CG1 4.05Å; I44-V109 HydrophobicContact CD1-CG2 4.43Å; I44-V109 HydrophobicContact CG1-CG1 3.9Å; I44-V109 HydrophobicContact CG1-CG2 4.23Å; I44-I112 HydrophobicContact CD1-CB 3.62Å; I44-I112 HydrophobicContact CD1-CD1 3.98Å; I44-I112 HydrophobicContact CD1-CG1 4.43Å; I44-I112 HydrophobicContact CD1-CG2 3.53Å; I44-L113 HydrophobicContact CD1-CD2 4.42Å; I44-L113 HydrophobicContact CD1-CG 4.4Å; I44-L113 HydrophobicContact CG2-CD2 4.48Å
45H88.5Confident85.4Confident26 Ų2637.4 Ų37.412%0.1219%0.192CC..Hα-helixtrans-59.1-43.9175.3-170.9126.9000111T32 L35 D41 I43 C48 L49T32-H45 PolarHBondContact O-CE1 3.32Å; T32-H45 PolarHBondContact O-ND1 2.74Å; L35-H45 HydrophobicContact CD1-CB 4.4Å; D41-H45 VanDerWaalsContact O-CB 3.3Å; D41-H45 WeakPolarHBondContact O-CB 3.21Å; D41-H45 PolarHBondContact O-N 3.32Å; I43-H45 VanDerWaalsContact C-N 3.34Å; I43-H45 PolarHBondContact O-N 3.19Å; H45-C48 PolarHBondContact O-N 2.87Å; H45-L49 VanDerWaalsContact CD2-CD1 3.49Å; H45-L49 WeakPolarHBondContact CD2-CD1 3.36Å; H45-L49 WeakPolarHBondContact O-CG 3.36Å; H45-L49 PolarHBondContact O-N 3.19Å
46A88.7Confident85.5Confident1 Ų139.7 Ų39.71%0.00821%0.214CC..Hα-helixtrans-64.9-40.8175.400000112.9T42 I43 I44 L49 I50 A58 K61 L62T42-A46 WeakPolarHBondContact O-CB 3.47Å; T42-A46 PolarHBondContact O-N 2.79Å; I43-A46 PolarHBondContact O-N 3.04Å; I44-A46 VanDerWaalsContact C-N 3.34Å; I44-A46 PolarHBondContact O-N 2.91Å; A46-L49 PolarHBondContact O-N 3.47Å; A46-I50 WeakPolarHBondContact O-CG1 3.16Å; A46-I50 PolarHBondContact O-N 3.4Å; A46-A58 HydrophobicContact CB-CB 4.44Å; A46-A58 WeakPolarHBondContact O-CB 2.85Å; A46-K61 HydrophobicContact CB-CB 4.26Å; A46-L62 HydrophobicContact CB-CD1 4.33Å; A46-L62 HydrophobicContact CB-CD2 3.71Å; A46-L62 HydrophobicContact CB-CG 3.69Å
47L87.8Confident85.8Confident1 Ų142.2 Ų42.21%0.00522%0.216CC..Hα-helixtrans-63.6-40.7174.5-71.3171.5000112.2V16 F17 L20 I43 I44 I50 I51 L74 F88V16-L47 HydrophobicContact CG1-CD1 3.79Å; F17-L47 HydrophobicContact CD2-CD2 4.45Å; L20-L47 HydrophobicContact CD1-CB 3.71Å; L20-L47 HydrophobicContact CD1-CD1 4.15Å; I43-L47 HydrophobicContact CG2-CD1 4.25Å; I43-L47 WeakPolarHBondContact O-CG 3.25Å; I43-L47 PolarHBondContact O-N 3.36Å; I44-L47 PolarHBondContact O-N 2.8Å; L47-I50 WeakPolarHBondContact O-CB 3.48Å; L47-I50 PolarHBondContact O-N 3.05Å; L47-I51 WeakPolarHBondContact O-CG1 3.36Å; L47-I51 PolarHBondContact O-N 2.84Å; L47-I51 VanDerWaalsContact O-N 3.09Å; L47-L74 HydrophobicContact CD2-CD1 4.46Å; L47-L74 HydrophobicContact CD2-CD2 3.81Å; L47-F88 HydrophobicContact CD2-CE1 4.17Å; L47-F88 HydrophobicContact CD2-CZ 4.45Å
48C88.6Confident86.2Confident0 Ų035.7 Ų35.70%019%0.185CC..Hα-helixtrans-62.1-42.7173.2-64.10000111.4L28 T32 I44 H45 I50 I51 L52L28-C48 HydrophobicContact CD2-CB 4.34Å; T32-C48 HydrophobicContact CG2-CB 3.75Å; I44-C48 PolarHBondContact O-N 3Å; I44-C48 PolarHBondContact O-SG 3.18Å; H45-C48 PolarHBondContact O-N 2.87Å; C48-I50 VanDerWaalsContact C-N 3.35Å; C48-I50 PolarHBondContact O-N 3.44Å; C48-I51 PolarHBondContact O-N 2.91Å; C48-L52 WeakPolarHBondContact O-CB 3.22Å; C48-L52 VanDerWaalsContact O-CG 3.22Å; C48-L52 WeakPolarHBondContact O-CG 3.35Å; C48-L52 PolarHBondContact O-N 3.29Å
49L87.4Confident86.1Confident5 Ų535.1 Ų35.13%0.02618%0.179CC..Hα-helixtrans-65.8-33.8176-71.5174.6000112.9T32 H45 A46 L52 Q53 R54 Q57 A58 K61T32-L49 HydrophobicContact CG2-CD2 4.27Å; T32-L49 HydrophobicContact CG2-CG 4.29Å; H45-L49 VanDerWaalsContact CD2-CD1 3.49Å; H45-L49 WeakPolarHBondContact CD2-CD1 3.36Å; H45-L49 WeakPolarHBondContact O-CG 3.36Å; H45-L49 PolarHBondContact O-N 3.19Å; A46-L49 PolarHBondContact O-N 3.47Å; L49-L52 CarbonylContact O-C 3.56Å; L49-L52 PolarHBondContact O-N 2.71Å; L49-Q53 PolarHBondContact O-N 3.31Å; L49-R54 HydrophobicContact CB-CB 4.25Å; L49-R54 HydrophobicContact CD2-CB 3.91Å; L49-R54 HydrophobicContact CD2-CG 4.42Å; L49-R54 WeakPolarHBondContact O-CA 3.2Å; L49-R54 PolarHBondContact O-N 2.99Å; L49-Q57 HydrophobicContact CD1-CB 3.84Å; L49-A58 HydrophobicContact CB-CB 3.77Å; L49-K61 HydrophobicContact CD1-CG 4.4Å
50I86.1Confident86.2Confident4 Ų440.3 Ų40.32%0.02119%0.192CC..Hα-helixtrans-62-51.3172.7-81.9161.8000110.8F17 A46 L47 C48 L52 Q53 A58 W78 L85 F88F17-I50 HydrophobicContact CE2-CG2 4.38Å; A46-I50 WeakPolarHBondContact O-CG1 3.16Å; A46-I50 PolarHBondContact O-N 3.4Å; L47-I50 WeakPolarHBondContact O-CB 3.48Å; L47-I50 PolarHBondContact O-N 3.05Å; C48-I50 VanDerWaalsContact C-N 3.35Å; C48-I50 PolarHBondContact O-N 3.44Å; I50-L52 VanDerWaalsContact C-N 3.26Å; I50-L52 PolarHBondContact O-N 3.15Å; I50-Q53 PolarHBondContact O-N 3.27Å; I50-A58 HydrophobicContact CD1-CB 4.34Å; I50-A58 HydrophobicContact CG1-CB 3.77Å; I50-W78 HydrophobicContact CB-CZ3 4.36Å; I50-W78 HydrophobicContact CD1-CD2 4.39Å; I50-W78 HydrophobicContact CD1-CE3 3.97Å; I50-W78 HydrophobicContact CG1-CD2 4.31Å; I50-W78 HydrophobicContact CG1-CE3 3.99Å; I50-W78 HydrophobicContact CG1-CZ3 4.23Å; I50-W78 HydrophobicContact CG2-CE3 3.85Å; I50-W78 HydrophobicContact CG2-CH2 3.86Å; I50-W78 HydrophobicContact CG2-CZ3 3.31Å; I50-L85 HydrophobicContact CG2-CD1 3.7Å; I50-F88 HydrophobicContact CD1-CE1 4.14Å; I50-F88 HydrophobicContact CD1-CZ 4.02Å; I50-F88 HydrophobicContact CG2-CD1 4.12Å; I50-F88 HydrophobicContact CG2-CE1 4.05Å
51I85.8Confident86.1Confident25 Ų2542.1 Ų42.113%0.12820%0.199CC..Hα-helixtrans-64-34.3179.8-64.1161000111F17 L20 L28 L47 C48 Q53 L85F17-I51 HydrophobicContact CD2-CD1 4.48Å; F17-I51 HydrophobicContact CE2-CD1 4.22Å; F17-I51 HydrophobicContact CE2-CG1 3.89Å; F17-I51 HydrophobicContact CZ-CG1 4.2Å; L20-I51 HydrophobicContact CB-CD1 3.47Å; L20-I51 VanDerWaalsContact CB-CD1 3.47Å; L28-I51 HydrophobicContact CD1-CB 4.21Å; L28-I51 HydrophobicContact CD1-CG2 3.61Å; L47-I51 WeakPolarHBondContact O-CG1 3.36Å; L47-I51 PolarHBondContact O-N 2.84Å; L47-I51 VanDerWaalsContact O-N 3.09Å; C48-I51 PolarHBondContact O-N 2.91Å; I51-Q53 PolarHBondContact O-N 3.32Å; I51-L85 HydrophobicContact CG1-CD1 4.34Å
52L85.3Confident86Confident39 Ų3940.9 Ų40.920%0.20419%0.193CC..THydrogen-bonded Turntrans-79.910.9173.8-65.4170.6000114.2L28 L29 C48 L49 I50 R54L28-L52 HydrophobicContact CB-CD1 4.06Å; L28-L52 HydrophobicContact CB-CD2 4.33Å; L28-L52 HydrophobicContact CB-CG 4.25Å; L28-L52 HydrophobicContact CD1-CD2 4.49Å; L29-L52 HydrophobicContact CD2-CD1 3.78Å; L29-L52 HydrophobicContact CG-CD1 4Å; L29-L52 HydrophobicContact CG-CD2 4.48Å; C48-L52 WeakPolarHBondContact O-CB 3.22Å; C48-L52 VanDerWaalsContact O-CG 3.22Å; C48-L52 WeakPolarHBondContact O-CG 3.35Å; C48-L52 PolarHBondContact O-N 3.29Å; L49-L52 CarbonylContact O-C 3.56Å; L49-L52 PolarHBondContact O-N 2.71Å; I50-L52 VanDerWaalsContact C-N 3.26Å; I50-L52 PolarHBondContact O-N 3.15Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 2.91Å
53Q82.8Confident85.8Confident159 Ų15946.5 Ų46.574%0.74322%0.219SC*.THydrogen-bonded Turntrans57.231.6178.2-57.2-1792.900114.5L49 I50 I51L49-Q53 PolarHBondContact O-N 3.31Å; I50-Q53 PolarHBondContact O-N 3.27Å; I51-Q53 PolarHBondContact O-N 3.32Å
54R84Confident85.7Confident115 Ų11552.1 Ų52.143%0.43424%0.243SC..  trans-103.547.8177.6-64.1-176.3-178.3-175.12.4111.8L49 L52 A56 Q57 A58L49-R54 HydrophobicContact CB-CB 4.25Å; L49-R54 HydrophobicContact CD2-CB 3.91Å; L49-R54 HydrophobicContact CD2-CG 4.42Å; L49-R54 WeakPolarHBondContact O-CA 3.2Å; L49-R54 PolarHBondContact O-N 2.99Å; L52-R54 VanDerWaalsContact C-N 3.26Å; L52-R54 PolarHBondContact O-N 2.91Å; R54-A56 VanDerWaalsContact C-N 3.35Å; R54-A56 PolarHBondContact O-N 3.5Å; R54-Q57 HydrophobicContact CB-CB 4.44Å; R54-Q57 WeakPolarHBondContact O-CA 3.31Å; R54-Q57 WeakPolarHBondContact O-CB 3.4Å; R54-Q57 PolarHBondContact O-N 3.31Å; R54-A58 PolarHBondContact O-N 3.21Å; R54-A58 VanDerWaalsContact O-N 3.08Å
55E83Confident85.2Confident78 Ų7853 Ų5336%0.36425%0.248SC..Hα-helixtrans-47.3-50.6-173-57.9-179.6-128.500113.8Q57 A58 L59 W78E55-Q57 PolarHBondContact O-N 3.03Å; E55-A58 PolarHBondContact O-N 3.48Å; E55-L59 PolarHBondContact O-N 3Å; E55-W78 HydrophobicContact CG-CZ2 3.59Å; E55-W78 PolarHBondContact OE2-NE1 3.46Å
56A81.4Confident84.5Confident66 Ų6659.1 Ų59.155%0.54528%0.276SS..Hα-helixtrans-67.3-8.1-178.200000114R54 R60R54-A56 VanDerWaalsContact C-N 3.35Å; R54-A56 PolarHBondContact O-N 3.5Å; A56-R60 VanDerWaalsContact O-CZ 3.25Å; A56-R60 PolarHBondContact O-NE 2.96Å; A56-R60 PolarHBondContact O-NH2 3.47Å
57Q83.4Confident83.9Confident91 Ų9166.9 Ų66.943%0.42532%0.318SS..Hα-helixtrans-97.6-41.4168.3-62.1180-600110.6L49 R54 E55 R60 K61L49-Q57 HydrophobicContact CD1-CB 3.84Å; R54-Q57 HydrophobicContact CB-CB 4.44Å; R54-Q57 WeakPolarHBondContact O-CA 3.31Å; R54-Q57 WeakPolarHBondContact O-CB 3.4Å; R54-Q57 PolarHBondContact O-N 3.31Å; E55-Q57 PolarHBondContact O-N 3.03Å; Q57-R60 PolarHBondContact O-N 3.37Å; Q57-K61 PolarHBondContact O-N 3.36Å
58A86.1Confident83.6Confident0 Ų067.8 Ų67.80%032%0.323CS..Hα-helixtrans-58.8-48.2175.900000112.6A46 L49 I50 R54 E55 R60 K61 L62A46-A58 HydrophobicContact CB-CB 4.44Å; A46-A58 WeakPolarHBondContact O-CB 2.85Å; L49-A58 HydrophobicContact CB-CB 3.77Å; I50-A58 HydrophobicContact CD1-CB 4.34Å; I50-A58 HydrophobicContact CG1-CB 3.77Å; R54-A58 PolarHBondContact O-N 3.21Å; R54-A58 VanDerWaalsContact O-N 3.08Å; E55-A58 PolarHBondContact O-N 3.48Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.16Å; A58-K61 WeakPolarHBondContact O-CB 3.47Å; A58-K61 PolarHBondContact O-N 2.87Å; A58-K61 VanDerWaalsContact O-N 3.08Å; A58-L62 PolarHBondContact O-N 2.88Å
59L83.8Confident83.1Confident28 Ų2869.6 Ų69.615%0.14734%0.335CS..Hα-helixtrans-62.2-39.1179.7-68.9178.9000112.3E55 K61 L62 Q63 W78E55-L59 PolarHBondContact O-N 3Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 3.04Å; L59-L62 PolarHBondContact O-N 2.89Å; L59-Q63 WeakPolarHBondContact O-CB 3.25Å; L59-Q63 VanDerWaalsContact O-CG 3.25Å; L59-Q63 WeakPolarHBondContact O-CG 3.45Å; L59-Q63 PolarHBondContact O-N 3.42Å; L59-W78 HydrophobicContact CD2-CB 4.15Å; L59-W78 HydrophobicContact CD2-CG 4.17Å
60R85.9Confident82.9Confident162 Ų16269.4 Ų69.461%0.61133%0.334SS*.Hα-helixtrans-66.9-32173.7-84.8-177.6-72.7166.2-5.3113.1A56 Q57 A58 K64A56-R60 VanDerWaalsContact O-CZ 3.25Å; A56-R60 PolarHBondContact O-NE 2.96Å; A56-R60 PolarHBondContact O-NH2 3.47Å; Q57-R60 PolarHBondContact O-N 3.37Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.16Å; R60-K64 PolarHBondContact O-N 2.87Å
61K84.9Confident82.8Confident53 Ų5369.2 Ų69.223%0.2333%0.333CS..Hα-helixtrans-70.9-40.5173.2-78.8-79.1-170.4169.50111.5T42 A46 L49 Q57 A58 L59 K64T42-K61 HydrophobicContact CG2-CB 4.21Å; T42-K61 HydrophobicContact CG2-CD 4.09Å; T42-K61 WeakPolarHBondContact CG2-O 3.4Å; A46-K61 HydrophobicContact CB-CB 4.26Å; L49-K61 HydrophobicContact CD1-CG 4.4Å; Q57-K61 PolarHBondContact O-N 3.36Å; A58-K61 WeakPolarHBondContact O-CB 3.47Å; A58-K61 PolarHBondContact O-N 2.87Å; A58-K61 VanDerWaalsContact O-N 3.08Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-K61 PolarHBondContact O-N 3.04Å; K61-K64 WeakPolarHBondContact O-CB 3.21Å; K61-K64 PolarHBondContact O-N 3.48Å
62L85.5Confident82.7Confident2 Ų271.5 Ų71.51%0.0135%0.345CS..Hα-helixtrans-67.4-41.1174.5-66.7171.4000112.2A46 A58 L59 K64 L65 A71 L74 A75A46-L62 HydrophobicContact CB-CD1 4.33Å; A46-L62 HydrophobicContact CB-CD2 3.71Å; A46-L62 HydrophobicContact CB-CG 3.69Å; A58-L62 PolarHBondContact O-N 2.88Å; L59-L62 PolarHBondContact O-N 2.89Å; L62-K64 PolarHBondContact O-N 3.27Å; L62-L65 WeakPolarHBondContact O-CA 3.3Å; L62-L65 WeakPolarHBondContact O-CB 3.25Å; L62-L65 PolarHBondContact O-N 2.94Å; L62-A71 HydrophobicContact CD2-CB 4.09Å; L62-L74 HydrophobicContact CD1-CB 4.06Å; L62-L74 HydrophobicContact CD2-CB 4.17Å; L62-L74 HydrophobicContact CD2-CD1 4.33Å; L62-A75 HydrophobicContact CB-CB 4.26Å; L62-A75 HydrophobicContact CD1-CB 4.28Å
63Q84.8Confident82.4Confident120 Ų12071.1 Ų71.156%0.56134%0.342SS*.Hα-helixtrans-65.7-18.4175.4-74.2169.6-22.500113.8L59 L65L59-Q63 WeakPolarHBondContact O-CB 3.25Å; L59-Q63 VanDerWaalsContact O-CG 3.25Å; L59-Q63 WeakPolarHBondContact O-CG 3.45Å; L59-Q63 PolarHBondContact O-N 3.42Å; Q63-L65 PolarHBondContact O-N 3.29Å
64K86.2Confident82.4Confident118 Ų11863.7 Ų63.751%0.51331%0.307SS..THydrogen-bonded Turntrans-71.4-11.5169.3-162.3-167.9173.5-1650112E37 R60 K61 L62E37-K64 VanDerWaalsContact CD-NZ 3.3Å; E37-K64 IonicContact OE1-NZ 3.08Å; E37-K64 PolarHBondContact OE1-NZ 3.2Å; E37-K64 VanDerWaalsContact OE1-NZ 3.08Å; E37-K64 IonicContact OE2-NZ 2.88Å; E37-K64 PolarHBondContact OE2-NZ 2.97Å; R60-K64 PolarHBondContact O-N 2.87Å; K61-K64 WeakPolarHBondContact O-CB 3.21Å; K61-K64 PolarHBondContact O-N 3.48Å; L62-K64 PolarHBondContact O-N 3.27Å
65L80.4Confident82.4Confident21 Ų2158.8 Ų58.811%0.1129%0.292CS..THydrogen-bonded Turntrans-115.842.3-175.1-55.4-177.3000112.4P39 T42 I43 L62 Q63 D67 N68 A71P39-L65 HydrophobicContact CB-CD1 4.4Å; P39-L65 HydrophobicContact CB-CD2 3.92Å; P39-L65 WeakPolarHBondContact O-CD1 3.19Å; T42-L65 HydrophobicContact CG2-CD1 3.67Å; T42-L65 HydrophobicContact CG2-CD2 4.09Å; T42-L65 HydrophobicContact CG2-CG 3.86Å; I43-L65 HydrophobicContact CD1-CD1 4.3Å; I43-L65 HydrophobicContact CG1-CD1 3.7Å; L62-L65 WeakPolarHBondContact O-CA 3.3Å; L62-L65 WeakPolarHBondContact O-CB 3.25Å; L62-L65 PolarHBondContact O-N 2.94Å; Q63-L65 PolarHBondContact O-N 3.29Å; L65-D67 PolarHBondContact O-N 2.85Å; L65-D67 VanDerWaalsContact O-N 3.09Å; L65-N68 HydrophobicContact CB-CB 4.3Å; L65-N68 PolarHBondContact O-N 3.24Å; L65-A71 HydrophobicContact CB-CB 3.66Å; L65-A71 HydrophobicContact CD1-CB 3.89Å; L65-A71 HydrophobicContact CG-CB 4.44Å
66E72.2Confident82.3Confident153 Ų15360 Ų6072%0.71530%0.297SS*.THydrogen-bonded Turntrans-55.1-27.8-176.9-169.8169.5-173.500113.4N72E66-N72 PolarHBondContact O-ND2 2.83Å
67D77.1Confident82.1Confident165 Ų16559.4 Ų59.488%0.88228%0.282SS*.THydrogen-bonded Turntrans-76.6-13.3176-56.7-62.5000114.7L65L65-D67 PolarHBondContact O-N 2.85Å; L65-D67 VanDerWaalsContact O-N 3.09Å
68N81.3Confident81.7Confident20 Ų2055.7 Ų55.711%0.10726%0.264CS..  trans-99.4120.4-171.7-170.2-69.3000112.8L65 L70 A71 N72 S105L65-N68 HydrophobicContact CB-CB 4.3Å; L65-N68 PolarHBondContact O-N 3.24Å; N68-L70 VanDerWaalsContact C-N 3.3Å; N68-L70 PolarHBondContact O-N 3.01Å; N68-L70 WeakPolarHBondContact OD1-CA 3.46Å; N68-L70 VanDerWaalsContact OD1-CB 3.27Å; N68-L70 WeakPolarHBondContact OD1-CB 3.32Å; N68-L70 PolarHBondContact OD1-N 3.38Å; N68-A71 HydrophobicContact CB-CB 4.05Å; N68-A71 PolarHBondContact O-N 2.85Å; N68-A71 PolarHBondContact OD1-N 2.8Å; N68-N72 PolarHBondContact O-N 2.63Å; N68-S105 PolarHBondContact ND2-OG 2.94Å
69P78.8Confident81.1Confident38 Ų3861.2 Ų61.225%0.24729%0.29CS..Hα-helixtrans-65.9-28.5-175.726.1-34.6000113.8H73 E101P69-H73 WeakPolarHBondContact O-CB 3.42Å; P69-H73 PolarHBondContact O-N 3.02Å; P69-H73 VanDerWaalsContact O-N 3.13Å; P69-E101 HydrophobicContact CG-CB 4.13Å
70L81.4Confident80.4Confident1 Ų163.8 Ų63.81%0.00531%0.31CS..Hα-helixtrans-73-40.1176.7-176.961.5000111.1L13 I43 N68 L74 F95L13-L70 HydrophobicContact CD1-CD1 4.15Å; L13-L70 HydrophobicContact CD2-CD1 3.92Å; I43-L70 HydrophobicContact CD1-CB 4.23Å; I43-L70 HydrophobicContact CD1-CD2 4.11Å; I43-L70 HydrophobicContact CD1-CG 4.23Å; I43-L70 HydrophobicContact CG2-CD2 4.48Å; N68-L70 VanDerWaalsContact C-N 3.3Å; N68-L70 PolarHBondContact O-N 3.01Å; N68-L70 WeakPolarHBondContact OD1-CA 3.46Å; N68-L70 VanDerWaalsContact OD1-CB 3.27Å; N68-L70 WeakPolarHBondContact OD1-CB 3.32Å; N68-L70 PolarHBondContact OD1-N 3.38Å; L70-L74 HydrophobicContact CG-CD1 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 WeakPolarHBondContact O-CD1 3.27Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.9Å; L70-F95 HydrophobicContact CD1-CD1 4.05Å; L70-F95 HydrophobicContact CD1-CE1 3.39Å; L70-F95 HydrophobicContact CD1-CE2 4.36Å; L70-F95 HydrophobicContact CD1-CZ 3.55Å
71A85.1Confident79.3Confident0 Ų056.5 Ų56.50%029%0.286CS..Hα-helixtrans-67.4-43.6176.700000112.2I43 L62 L65 N68 L74 A75I43-A71 HydrophobicContact CD1-CB 4.25Å; I43-A71 HydrophobicContact CG1-CB 4.15Å; L62-A71 HydrophobicContact CD2-CB 4.09Å; L65-A71 HydrophobicContact CB-CB 3.66Å; L65-A71 HydrophobicContact CD1-CB 3.89Å; L65-A71 HydrophobicContact CG-CB 4.44Å; N68-A71 HydrophobicContact CB-CB 4.05Å; N68-A71 PolarHBondContact O-N 2.85Å; N68-A71 PolarHBondContact OD1-N 2.8Å; A71-L74 PolarHBondContact O-N 3.45Å; A71-A75 PolarHBondContact O-N 3.28Å
72N82.9Confident78.1Confident72 Ų7257.2 Ų57.239%0.38531%0.308SS..Hα-helixtrans-62.3-44.1176.4-73.2-25.3000112.1E66 N68 L74 A75 E76E66-N72 PolarHBondContact O-ND2 2.83Å; N68-N72 PolarHBondContact O-N 2.63Å; N72-L74 PolarHBondContact O-N 2.83Å; N72-A75 PolarHBondContact O-N 2.87Å; N72-E76 WeakPolarHBondContact O-CB 3.32Å; N72-E76 PolarHBondContact O-N 3.42Å
73H80.5Confident77Confident32 Ų3258.4 Ų58.415%0.14832%0.321CS..Hα-helixtrans-62.8-42.2175.3-177.2-88.1000112.2P69 A75 E76 K77 F95P69-H73 WeakPolarHBondContact O-CB 3.42Å; P69-H73 PolarHBondContact O-N 3.02Å; P69-H73 VanDerWaalsContact O-N 3.13Å; H73-A75 VanDerWaalsContact C-N 3.33Å; H73-A75 PolarHBondContact O-N 2.97Å; H73-E76 PolarHBondContact O-N 3.32Å; H73-K77 VanDerWaalsContact CE1-CG 3.4Å; H73-K77 WeakPolarHBondContact CE1-CG 3.26Å; H73-K77 WeakPolarHBondContact NE2-CE 3.32Å; H73-K77 WeakPolarHBondContact O-CG 3.46Å; H73-K77 PolarHBondContact O-N 2.94Å; H73-F95 HydrophobicContact CB-CD2 4.16Å; H73-F95 HydrophobicContact CB-CE2 3.9Å; H73-F95 AromaticContact CD2-CD2 3.71Å; H73-F95 AromaticContact CE1-CD2 3.45Å; H73-F95 VanDerWaalsContact CE1-CD2 3.45Å; H73-F95 WeakPolarHBondContact CE1-CD2 3.37Å; H73-F95 AromaticContact CE1-CG 3.98Å; H73-F95 AromaticContact CG-CD2 3.45Å; H73-F95 VanDerWaalsContact CG-CD2 3.45Å; H73-F95 AromaticContact CG-CE2 3.7Å; H73-F95 AromaticContact ND1-CD2 3.28Å; H73-F95 VanDerWaalsContact ND1-CD2 3.28Å; H73-F95 WeakPolarHBondContact ND1-CD2 3.34Å; H73-F95 AromaticContact ND1-CE2 3.93Å; H73-F95 AromaticContact ND1-CG 3.94Å; H73-F95 AromaticContact NE2-CD2 3.7Å
74L82.6Confident76.2Confident2 Ų258.8 Ų58.81%0.0132%0.32CS..Hα-helixtrans-59-43.7174.8-79.2166.5000112L13 I43 L47 L62 L70 A71 N72 W78 F88L13-L74 HydrophobicContact CD1-CD2 4.33Å; L13-L74 HydrophobicContact CD2-CD2 3.89Å; L13-L74 HydrophobicContact CD2-CG 4.25Å; L13-L74 HydrophobicContact CG-CD2 4.48Å; I43-L74 HydrophobicContact CG2-CD1 3.71Å; L47-L74 HydrophobicContact CD2-CD1 4.46Å; L47-L74 HydrophobicContact CD2-CD2 3.81Å; L62-L74 HydrophobicContact CD1-CB 4.06Å; L62-L74 HydrophobicContact CD2-CB 4.17Å; L62-L74 HydrophobicContact CD2-CD1 4.33Å; L70-L74 HydrophobicContact CG-CD1 4.37Å; L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 WeakPolarHBondContact O-CD1 3.27Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.46Å; L70-L74 PolarHBondContact O-N 2.9Å; A71-L74 PolarHBondContact O-N 3.45Å; N72-L74 PolarHBondContact O-N 2.83Å; L74-W78 PolarHBondContact O-N 3.25Å; L74-F88 HydrophobicContact CD2-CZ 3.72Å
75A83.1Confident75.2Confident13 Ų1355.1 Ų55.111%0.10731%0.306CS..Hα-helixtrans-64.8-46.6176.500000112L62 A71 N72 H73 K77 W78 H79L62-A75 HydrophobicContact CB-CB 4.26Å; L62-A75 HydrophobicContact CD1-CB 4.28Å; A71-A75 PolarHBondContact O-N 3.28Å; N72-A75 PolarHBondContact O-N 2.87Å; H73-A75 VanDerWaalsContact C-N 3.33Å; H73-A75 PolarHBondContact O-N 2.97Å; A75-K77 PolarHBondContact O-N 3.11Å; A75-W78 PolarHBondContact O-N 3.25Å; A75-H79 PolarHBondContact O-N 2.95Å; A75-H79 PolarHBondContact O-ND1 2.86Å
76E81.2Confident74.4Confident103 Ų10360.4 Ų60.448%0.48134%0.335SS..Hα-helixtrans-59.1-44.4178.4-167.3-150.7121.600111.6N72 H73 H79 S80N72-E76 WeakPolarHBondContact O-CB 3.32Å; N72-E76 PolarHBondContact O-N 3.42Å; H73-E76 PolarHBondContact O-N 3.32Å; E76-H79 PolarHBondContact O-N 3.47Å; E76-S80 WeakPolarHBondContact O-CB 3.17Å; E76-S80 PolarHBondContact O-N 2.84Å; E76-S80 PolarHBondContact O-OG 2.78Å
77K76.3Confident74.3Confident53 Ų5356.5 Ų56.523%0.2332%0.319CS..Hα-helixtrans-74.1-29.3-179.9-60-42.5174.9-163.10113.6H73 A75 S80 G81 F88 H91H73-K77 VanDerWaalsContact CE1-CG 3.4Å; H73-K77 WeakPolarHBondContact CE1-CG 3.26Å; H73-K77 WeakPolarHBondContact NE2-CE 3.32Å; H73-K77 WeakPolarHBondContact O-CG 3.46Å; H73-K77 PolarHBondContact O-N 2.94Å; A75-K77 PolarHBondContact O-N 3.11Å; K77-S80 PolarHBondContact O-N 3.42Å; K77-G81 PolarHBondContact O-N 2.94Å; K77-F88 HydrophobicContact CB-CE2 4.36Å; K77-H91 HydrophobicContact CB-CB 4.23Å
78W75.7Confident74Confident13 Ų1348.8 Ų48.85%0.04928%0.277CS..Hα-helixtrans-63.4-47.2170.8-169.1-93.9000111.7I50 E55 L59 L74 A75 S80 G81 G83 L85 F88I50-W78 HydrophobicContact CB-CZ3 4.36Å; I50-W78 HydrophobicContact CD1-CD2 4.39Å; I50-W78 HydrophobicContact CD1-CE3 3.97Å; I50-W78 HydrophobicContact CG1-CD2 4.31Å; I50-W78 HydrophobicContact CG1-CE3 3.99Å; I50-W78 HydrophobicContact CG1-CZ3 4.23Å; I50-W78 HydrophobicContact CG2-CE3 3.85Å; I50-W78 HydrophobicContact CG2-CH2 3.86Å; I50-W78 HydrophobicContact CG2-CZ3 3.31Å; E55-W78 HydrophobicContact CG-CZ2 3.59Å; E55-W78 PolarHBondContact OE2-NE1 3.46Å; L59-W78 HydrophobicContact CD2-CB 4.15Å; L59-W78 HydrophobicContact CD2-CG 4.17Å; L74-W78 PolarHBondContact O-N 3.25Å; A75-W78 PolarHBondContact O-N 3.25Å; W78-S80 VanDerWaalsContact C-N 3.3Å; W78-S80 PolarHBondContact O-N 2.98Å; W78-G81 PolarHBondContact O-N 2.96Å; W78-G83 WeakPolarHBondContact CZ2-O 3.25Å; W78-L85 HydrophobicContact CZ3-CD1 4.5Å; W78-F88 HydrophobicContact CB-CD2 4.49Å; W78-F88 HydrophobicContact CB-CE2 4.16Å; W78-F88 HydrophobicContact CD2-CD2 4.47Å; W78-F88 HydrophobicContact CE3-CB 4.03Å; W78-F88 AromaticContact CE3-CD1 3.87Å; W78-F88 HydrophobicContact CE3-CD1 3.87Å; W78-F88 AromaticContact CE3-CD2 3.47Å; W78-F88 HydrophobicContact CE3-CD2 3.47Å; W78-F88 VanDerWaalsContact CE3-CD2 3.47Å; W78-F88 HydrophobicContact CE3-CE1 4.12Å; W78-F88 AromaticContact CE3-CE2 3.74Å; W78-F88 HydrophobicContact CE3-CE2 3.74Å; W78-F88 AromaticContact CE3-CG 3.51Å; W78-F88 HydrophobicContact CE3-CG 3.51Å; W78-F88 HydrophobicContact CE3-CZ 4.05Å; W78-F88 HydrophobicContact CZ3-CB 3.67Å; W78-F88 AromaticContact CZ3-CD1 3.75Å; W78-F88 HydrophobicContact CZ3-CD1 3.75Å; W78-F88 HydrophobicContact CZ3-CD2 4Å; W78-F88 HydrophobicContact CZ3-CE1 4.34Å; W78-F88 AromaticContact CZ3-CG 3.54Å; W78-F88 HydrophobicContact CZ3-CG 3.54Å
79H73.8Confident73.4Confident117 Ų11747.9 Ų47.954%0.54227%0.273SS..Hα-helixtrans-64.1-34.6176.2-68.790.4000112.4A75 E76A75-H79 PolarHBondContact O-N 2.95Å; A75-H79 PolarHBondContact O-ND1 2.86Å; E76-H79 PolarHBondContact O-N 3.47Å
80S69.6Low72.9Confident81 Ų8148.2 Ų48.257%0.56628%0.279SS*.Hα-helixtrans-73.7-33.4179-56.90000113.5E76 K77 W78 G82E76-S80 WeakPolarHBondContact O-CB 3.17Å; E76-S80 PolarHBondContact O-N 2.84Å; E76-S80 PolarHBondContact O-OG 2.78Å; K77-S80 PolarHBondContact O-N 3.42Å; W78-S80 VanDerWaalsContact C-N 3.3Å; W78-S80 PolarHBondContact O-N 2.98Å; S80-G82 VanDerWaalsContact C-N 3.29Å; S80-G82 PolarHBondContact O-N 3.01Å
81G62.2Low72.4Confident10 Ų1051.1 Ų51.110%0.10329%0.292CS..THydrogen-bonded Turntrans-82.48.4-176.200000115.5K77 W78 G83 K84K77-G81 PolarHBondContact O-N 2.94Å; W78-G81 PolarHBondContact O-N 2.96Å; G81-G83 PolarHBondContact O-N 3.03Å; G81-G83 VanDerWaalsContact O-N 3.16Å; G81-K84 PolarHBondContact O-N 3.24Å
82G59.9Low71.6Confident68 Ų6851.3 Ų51.370%0.70129%0.294SS*.THydrogen-bonded Turntrans62.423.817500000115.5S80 K84S80-G82 VanDerWaalsContact C-N 3.29Å; S80-G82 PolarHBondContact O-N 3.01Å; G82-K84 VanDerWaalsContact C-N 3.34Å; G82-K84 PolarHBondContact O-N 3.2Å
83G62.1Low70.6Confident26 Ų2650.9 Ų50.927%0.26830%0.296SS..THydrogen-bonded Turntrans77.87.4177.800000115.9W78 G81W78-G83 WeakPolarHBondContact CZ2-O 3.25Å; G81-G83 PolarHBondContact O-N 3.03Å; G81-G83 VanDerWaalsContact O-N 3.16Å
84K67.9Low69.8Low128 Ų12855 Ų5556%0.55732%0.319SS*.  trans-91.6129.3-179.9-76.9-178.4172.9-174.90112.8G81 G82 D87 F88G81-K84 PolarHBondContact O-N 3.24Å; G82-K84 VanDerWaalsContact C-N 3.34Å; G82-K84 PolarHBondContact O-N 3.2Å; K84-D87 HydrophobicContact CB-CB 4.13Å; K84-D87 VanDerWaalsContact CB-OD2 3.3Å; K84-D87 WeakPolarHBondContact CB-OD2 3.31Å; K84-D87 WeakPolarHBondContact CD-OD2 3.38Å; K84-F88 VanDerWaalsContact O-CB 3.31Å; K84-F88 WeakPolarHBondContact O-CB 3.4Å; K84-F88 PolarHBondContact O-N 3.15Å
85L65.8Low69Low41 Ų4156 Ų5622%0.21532%0.323CS..Hα-helixtrans-65-42.8-178.9-163.668.9000112.4F17 I50 I51 W78 D87 F88 G89F17-L85 HydrophobicContact CE2-CD1 4.07Å; F17-L85 HydrophobicContact CZ-CD1 3.67Å; F17-L85 HydrophobicContact CZ-CG 3.97Å; I50-L85 HydrophobicContact CG2-CD1 3.7Å; I51-L85 HydrophobicContact CG1-CD1 4.34Å; W78-L85 HydrophobicContact CZ3-CD1 4.5Å; L85-D87 PolarHBondContact O-N 2.78Å; L85-F88 PolarHBondContact O-N 3.04Å; L85-G89 PolarHBondContact O-N 2.71Å
86D63.5Low68Low132 Ų13259.6 Ų59.671%0.70634%0.337SS*.Hα-helixtrans-60.7-46.5-179.9-49.4-39.2000111.7A90D86-A90 PolarHBondContact O-N 3.46Å
87D69Low67Low72 Ų7255.4 Ų55.439%0.38532%0.32SS..Hα-helixtrans-69-39.8178-64.7-52.3000111K84 L85 G89 A90 H91K84-D87 HydrophobicContact CB-CB 4.13Å; K84-D87 VanDerWaalsContact CB-OD2 3.3Å; K84-D87 WeakPolarHBondContact CB-OD2 3.31Å; K84-D87 WeakPolarHBondContact CD-OD2 3.38Å; L85-D87 PolarHBondContact O-N 2.78Å; D87-G89 PolarHBondContact O-N 3.31Å; D87-A90 WeakPolarHBondContact O-CB 3.45Å; D87-A90 PolarHBondContact O-N 2.93Å; D87-A90 VanDerWaalsContact O-N 3.12Å; D87-H91 PolarHBondContact O-CD2 2.87Å; D87-H91 PolarHBondContact O-N 3.46Å
88F71.8Confident66.1Low2 Ų259.9 Ų59.91%0.00934%0.34CS..Hα-helixtrans-61.6-42.3177.1-177.7-108.9000112.7F17 L47 I50 L74 K77 W78 K84 L85 A90 H91 C92F17-F88 HydrophobicContact CD2-CD1 4.15Å; F17-F88 HydrophobicContact CD2-CE1 4.06Å; F17-F88 AromaticContact CE2-CD1 3.69Å; F17-F88 HydrophobicContact CE2-CD1 3.69Å; F17-F88 AromaticContact CE2-CE1 3.93Å; F17-F88 HydrophobicContact CE2-CE1 3.93Å; F17-F88 HydrophobicContact CZ-CD1 4.29Å; L47-F88 HydrophobicContact CD2-CE1 4.17Å; L47-F88 HydrophobicContact CD2-CZ 4.45Å; I50-F88 HydrophobicContact CD1-CE1 4.14Å; I50-F88 HydrophobicContact CD1-CZ 4.02Å; I50-F88 HydrophobicContact CG2-CD1 4.12Å; I50-F88 HydrophobicContact CG2-CE1 4.05Å; L74-F88 HydrophobicContact CD2-CZ 3.72Å; K77-F88 HydrophobicContact CB-CE2 4.36Å; W78-F88 HydrophobicContact CB-CD2 4.49Å; W78-F88 HydrophobicContact CB-CE2 4.16Å; W78-F88 HydrophobicContact CD2-CD2 4.47Å; W78-F88 HydrophobicContact CE3-CB 4.03Å; W78-F88 AromaticContact CE3-CD1 3.87Å; W78-F88 HydrophobicContact CE3-CD1 3.87Å; W78-F88 AromaticContact CE3-CD2 3.47Å; W78-F88 HydrophobicContact CE3-CD2 3.47Å; W78-F88 VanDerWaalsContact CE3-CD2 3.47Å; W78-F88 HydrophobicContact CE3-CE1 4.12Å; W78-F88 AromaticContact CE3-CE2 3.74Å; W78-F88 HydrophobicContact CE3-CE2 3.74Å; W78-F88 AromaticContact CE3-CG 3.51Å; W78-F88 HydrophobicContact CE3-CG 3.51Å; W78-F88 HydrophobicContact CE3-CZ 4.05Å; W78-F88 HydrophobicContact CZ3-CB 3.67Å; W78-F88 AromaticContact CZ3-CD1 3.75Å; W78-F88 HydrophobicContact CZ3-CD1 3.75Å; W78-F88 HydrophobicContact CZ3-CD2 4Å; W78-F88 HydrophobicContact CZ3-CE1 4.34Å; W78-F88 AromaticContact CZ3-CG 3.54Å; W78-F88 HydrophobicContact CZ3-CG 3.54Å; K84-F88 VanDerWaalsContact O-CB 3.31Å; K84-F88 WeakPolarHBondContact O-CB 3.4Å; K84-F88 PolarHBondContact O-N 3.15Å; L85-F88 PolarHBondContact O-N 3.04Å; F88-A90 VanDerWaalsContact C-N 3.26Å; F88-A90 PolarHBondContact O-N 3.45Å; F88-H91 CarbonylContact O-C 3.52Å; F88-H91 WeakPolarHBondContact O-CA 3.39Å; F88-H91 PolarHBondContact O-N 3.13Å; F88-C92 PolarHBondContact O-N 3.02Å; F88-C92 PolarHBondContact O-SG 2.85Å
89G67.6Low65.7Low1 Ų162 Ų621%0.0136%0.355CS..Hα-helixtrans-57.4-40173.200000112R14 L85 D87 C92 S93R14-G89 WeakPolarHBondContact CD-O 3.47Å; R14-G89 PolarHBondContact NH1-O 3.5Å; L85-G89 PolarHBondContact O-N 2.71Å; D87-G89 PolarHBondContact O-N 3.31Å; G89-C92 PolarHBondContact O-N 3.31Å; G89-S93 PolarHBondContact O-OG 3.21Å
90A69.8Low65.5Low45 Ų4556.7 Ų56.737%0.37233%0.331SS..Hα-helixtrans-66.7-37.9174.200000112.1D86 D87 F88 S93 L94D86-A90 PolarHBondContact O-N 3.46Å; D87-A90 WeakPolarHBondContact O-CB 3.45Å; D87-A90 PolarHBondContact O-N 2.93Å; D87-A90 VanDerWaalsContact O-N 3.12Å; F88-A90 VanDerWaalsContact C-N 3.26Å; F88-A90 PolarHBondContact O-N 3.45Å; A90-S93 PolarHBondContact O-N 3.47Å; A90-S93 PolarHBondContact O-OG 2.86Å; A90-L94 VanDerWaalsContact O-CD1 3.29Å; A90-L94 WeakPolarHBondContact O-CD1 3.42Å
91H69.5Low65.8Low62 Ų6258 Ų5829%0.28733%0.328SS..Hα-helixtrans-67.8-30.6174.5-63.1-40.9000113.7K77 D87 F88 S93 L94K77-H91 HydrophobicContact CB-CB 4.23Å; D87-H91 PolarHBondContact O-CD2 2.87Å; D87-H91 PolarHBondContact O-N 3.46Å; F88-H91 CarbonylContact O-C 3.52Å; F88-H91 WeakPolarHBondContact O-CA 3.39Å; F88-H91 PolarHBondContact O-N 3.13Å; H91-S93 PolarHBondContact O-N 3.04Å; H91-L94 PolarHBondContact O-N 3.26Å
92C68.1Low66.7Low5 Ų557.8 Ų57.83%0.03433%0.325CS..Hα-helixtrans-63.4-22.7171.7-72.10000113.5L13 R14 F88 G89L13-C92 HydrophobicContact CG-CB 4.27Å; R14-C92 PolarHBondContact N-O 2.91Å; F88-C92 PolarHBondContact O-N 3.02Å; F88-C92 PolarHBondContact O-SG 2.85Å; G89-C92 PolarHBondContact O-N 3.31Å
93S62.8Low67.8Low62 Ų6255.1 Ų55.143%0.43429%0.294SS..THydrogen-bonded Turntrans-79.1-15171.413.90000114.3G89 A90 H91 F95G89-S93 PolarHBondContact O-OG 3.21Å; A90-S93 PolarHBondContact O-N 3.47Å; A90-S93 PolarHBondContact O-OG 2.86Å; H91-S93 PolarHBondContact O-N 3.04Å; S93-F95 VanDerWaalsContact C-N 3.29Å
94L62.9Low69Low120 Ų12054.4 Ų54.463%0.62829%0.286SS*.THydrogen-bonded Turntrans-87.44.1174.3-82.176.7000112.8A90 H91 E96A90-L94 VanDerWaalsContact O-CD1 3.29Å; A90-L94 WeakPolarHBondContact O-CD1 3.42Å; H91-L94 PolarHBondContact O-N 3.26Å; L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 2.91Å
95F66Low69.9Low21 Ų2148.6 Ų48.69%0.09226%0.261CS..  trans-78.777.8176.7-174.6-115.8000112.2L13 L70 H73 S93 A97L13-F95 HydrophobicContact CB-CB 4.23Å; L13-F95 HydrophobicContact CB-CD1 3.86Å; L13-F95 HydrophobicContact CB-CG 4.4Å; L13-F95 HydrophobicContact CD2-CB 3.92Å; L13-F95 HydrophobicContact CD2-CD1 3.9Å; L13-F95 HydrophobicContact CD2-CG 3.9Å; L70-F95 HydrophobicContact CD1-CD1 4.05Å; L70-F95 HydrophobicContact CD1-CE1 3.39Å; L70-F95 HydrophobicContact CD1-CE2 4.36Å; L70-F95 HydrophobicContact CD1-CZ 3.55Å; H73-F95 HydrophobicContact CB-CD2 4.16Å; H73-F95 HydrophobicContact CB-CE2 3.9Å; H73-F95 AromaticContact CD2-CD2 3.71Å; H73-F95 AromaticContact CE1-CD2 3.45Å; H73-F95 VanDerWaalsContact CE1-CD2 3.45Å; H73-F95 WeakPolarHBondContact CE1-CD2 3.37Å; H73-F95 AromaticContact CE1-CG 3.98Å; H73-F95 AromaticContact CG-CD2 3.45Å; H73-F95 VanDerWaalsContact CG-CD2 3.45Å; H73-F95 AromaticContact CG-CE2 3.7Å; H73-F95 AromaticContact ND1-CD2 3.28Å; H73-F95 VanDerWaalsContact ND1-CD2 3.28Å; H73-F95 WeakPolarHBondContact ND1-CD2 3.34Å; H73-F95 AromaticContact ND1-CE2 3.93Å; H73-F95 AromaticContact ND1-CG 3.94Å; H73-F95 AromaticContact NE2-CD2 3.7Å; S93-F95 VanDerWaalsContact C-N 3.29Å; F95-A97 HydrophobicContact CD1-CB 4.19Å; F95-A97 HydrophobicContact CE1-CB 3.69Å; F95-A97 HydrophobicContact CZ-CB 4.2Å; F95-A97 PolarHBondContact O-N 3.36Å
96E62.8Low71Confident89 Ų8946.9 Ų46.942%0.41625%0.252SS..  trans-63.2102.1161.1-67.6-178.6123.700108.7L94 K98L94-E96 VanDerWaalsContact C-N 3.31Å; L94-E96 PolarHBondContact O-N 2.91Å; E96-K98 VanDerWaalsContact C-N 3.31Å; E96-K98 HydrophobicContact CB-CD 4.31Å; E96-K98 HydrophobicContact CB-CG 4.3Å; E96-K98 WeakPolarHBondContact O-CG 3.46Å; E96-K98 PolarHBondContact O-N 3.44Å; E96-K98 WeakPolarHBondContact OE2-CE 3.46Å; E96-K98 IonicContact OE2-NZ 2.61Å; E96-K98 PolarHBondContact OE2-NZ 2.67Å
97A61Low72.2Confident15 Ų1540.6 Ų40.612%0.12422%0.218CC..  trans-71.281.4-178.100000111.8F95 L103F95-A97 HydrophobicContact CD1-CB 4.19Å; F95-A97 HydrophobicContact CE1-CB 3.69Å; F95-A97 HydrophobicContact CZ-CB 4.2Å; F95-A97 PolarHBondContact O-N 3.36Å; A97-L103 HydrophobicContact CB-CD2 3.57Å; A97-L103 HydrophobicContact CB-CG 3.85Å
98K57.6Low73.3Confident148 Ų14841 Ų4164%0.64322%0.215SC*.  trans-77.5-22.3-169-78.4157.2179.7158.90115.7E96E96-K98 VanDerWaalsContact C-N 3.31Å; E96-K98 HydrophobicContact CB-CD 4.31Å; E96-K98 HydrophobicContact CB-CG 4.3Å; E96-K98 WeakPolarHBondContact O-CG 3.46Å; E96-K98 PolarHBondContact O-N 3.44Å; E96-K98 WeakPolarHBondContact OE2-CE 3.46Å; E96-K98 IonicContact OE2-NZ 2.61Å; E96-K98 PolarHBondContact OE2-NZ 2.67Å
99T66.9Low74.2Confident58 Ų5841 Ų4136%0.35622%0.215SC..SBendtrans-101.6149.7174.1530000111.6E101 S102 L103T99-E101 VanDerWaalsContact C-N 3.32Å; T99-E101 PolarHBondContact O-N 2.91Å; T99-S102 WeakPolarHBondContact O-CB 3.39Å; T99-S102 PolarHBondContact O-N 3.39Å; T99-S102 PolarHBondContact OG1-OG 3.11Å; T99-L103 PolarHBondContact O-N 3.23Å
100G69.1Low75.2Confident4 Ų441 Ų414%0.04121%0.214CC..Hα-helixtrans-57.8-44.517500000112.3S102 L103 S104G100-S102 VanDerWaalsContact C-N 3.26Å; G100-S102 PolarHBondContact O-N 3.49Å; G100-L103 WeakPolarHBondContact O-CB 3.43Å; G100-L103 PolarHBondContact O-N 3.07Å; G100-S104 PolarHBondContact O-N 3.4Å; G100-S104 PolarHBondContact O-OG 2.92Å
101E76.3Confident76.3Confident110 Ų11041.7 Ų41.751%0.51421%0.209SC..Hα-helixtrans-52-39.6174.6-64.9145.1-150.400113.6P69 T99 S104 S105P69-E101 HydrophobicContact CG-CB 4.13Å; T99-E101 VanDerWaalsContact C-N 3.32Å; T99-E101 PolarHBondContact O-N 2.91Å; E101-S104 PolarHBondContact O-N 3.23Å; E101-S105 WeakPolarHBondContact O-CB 3.14Å; E101-S105 PolarHBondContact O-N 3.45Å; E101-S105 PolarHBondContact O-OG 3.3Å
102S81.2Confident77.2Confident4 Ų439.6 Ų39.63%0.02820%0.2CC..Hα-helixtrans-64.8-40.5177.7-66.80000111.6T99 G100 L106T99-S102 WeakPolarHBondContact O-CB 3.39Å; T99-S102 PolarHBondContact O-N 3.39Å; T99-S102 PolarHBondContact OG1-OG 3.11Å; G100-S102 VanDerWaalsContact C-N 3.26Å; G100-S102 PolarHBondContact O-N 3.49Å; S102-L106 VanDerWaalsContact O-CB 3.27Å; S102-L106 WeakPolarHBondContact O-CB 3.31Å; S102-L106 PolarHBondContact O-N 3.38Å
103L83.4Confident78.2Confident12 Ų1239.4 Ų39.46%0.06320%0.198CC..Hα-helixtrans-73-37.8176.6-70.2169.5000111.9A97 T99 G100 L106 A107 R130 A131 C134A97-L103 HydrophobicContact CB-CD2 3.57Å; A97-L103 HydrophobicContact CB-CG 3.85Å; T99-L103 PolarHBondContact O-N 3.23Å; G100-L103 WeakPolarHBondContact O-CB 3.43Å; G100-L103 PolarHBondContact O-N 3.07Å; L103-L106 PolarHBondContact O-N 2.8Å; L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.49Å; L103-R130 HydrophobicContact CD2-CG 4.28Å; L103-A131 HydrophobicContact CB-CB 3.94Å; L103-C134 HydrophobicContact CD1-CB 3.49Å; L103-C134 VanDerWaalsContact CD1-CB 3.49Å; L103-C134 VanDerWaalsContact CD1-SG 3.54Å
104S86.6Confident79.5Confident12 Ų1237.1 Ų37.18%0.08418%0.183CC..Hα-helixtrans-63.5-45.9174.3-64.20000112G100 E101 L106 A107 R108G100-S104 PolarHBondContact O-N 3.4Å; G100-S104 PolarHBondContact O-OG 2.92Å; E101-S104 PolarHBondContact O-N 3.23Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 3.45Å; S104-A107 PolarHBondContact O-N 2.77Å; S104-R108 WeakPolarHBondContact O-CG 3.35Å; S104-R108 PolarHBondContact O-N 2.73Å; S104-R108 VanDerWaalsContact O-N 3.09Å
105S86.8Confident80.7Confident6 Ų636.8 Ų36.84%0.04218%0.178CC..Hα-helixtrans-60.5-42.7174.4-570000111.1N68 E101 R108 V109N68-S105 PolarHBondContact ND2-OG 2.94Å; E101-S105 WeakPolarHBondContact O-CB 3.14Å; E101-S105 PolarHBondContact O-N 3.45Å; E101-S105 PolarHBondContact O-OG 3.3Å; S105-R108 PolarHBondContact O-N 3.27Å; S105-V109 WeakPolarHBondContact O-CG2 3.45Å; S105-V109 PolarHBondContact O-N 3.22Å
106L88.6Confident81.7Confident5 Ų538 Ų383%0.02618%0.183CC..Hα-helixtrans-66-39.9178.4-173.758.5000112.5T11 V16 S102 L103 S104 R108 V109 F110T11-L106 VanDerWaalsContact O-CD2 3.31Å; T11-L106 WeakPolarHBondContact O-CD2 3.45Å; V16-L106 HydrophobicContact CG2-CD1 3.86Å; S102-L106 VanDerWaalsContact O-CB 3.27Å; S102-L106 WeakPolarHBondContact O-CB 3.31Å; S102-L106 PolarHBondContact O-N 3.38Å; L103-L106 PolarHBondContact O-N 2.8Å; S104-L106 VanDerWaalsContact C-N 3.33Å; S104-L106 PolarHBondContact O-N 3.45Å; L106-R108 VanDerWaalsContact C-N 3.35Å; L106-R108 PolarHBondContact O-N 3.34Å; L106-V109 WeakPolarHBondContact O-CB 3.47Å; L106-V109 PolarHBondContact O-N 3.21Å; L106-F110 HydrophobicContact CD1-CD2 4.33Å; L106-F110 HydrophobicContact CD1-CE2 4.01Å; L106-F110 HydrophobicContact CG-CD2 4.28Å; L106-F110 HydrophobicContact CG-CE2 4.12Å; L106-F110 VanDerWaalsContact O-CD2 3.29Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 PolarHBondContact O-N 3.42Å
107A89.6Confident82.7Confident0 Ų044.7 Ų44.70%021%0.205CC..Hα-helixtrans-62.8-39.7174.900000112.5L103 S104 F110 K111 A127 Y128 A131 F147L103-A107 WeakPolarHBondContact O-CB 3.35Å; L103-A107 PolarHBondContact O-N 3.49Å; S104-A107 PolarHBondContact O-N 2.77Å; A107-F110 WeakPolarHBondContact O-CB 3.42Å; A107-F110 PolarHBondContact O-N 2.79Å; A107-K111 PolarHBondContact O-N 2.91Å; A107-A127 HydrophobicContact CB-CB 4.2Å; A107-Y128 HydrophobicContact CB-CD1 4.02Å; A107-Y128 HydrophobicContact CB-CD2 4Å; A107-Y128 HydrophobicContact CB-CE1 4.16Å; A107-Y128 HydrophobicContact CB-CE2 4.12Å; A107-Y128 HydrophobicContact CB-CG 3.95Å; A107-Y128 WeakPolarHBondContact O-CE2 3.27Å; A107-A131 HydrophobicContact CB-CB 4.36Å; A107-F147 HydrophobicContact CB-CZ 4.04Å
108R90.8Very high83.9Confident80 Ų8045.8 Ų45.830%0.30221%0.209SC..Hα-helixtrans-68.3-35.8173.6-74.5171.8-177.7166.92113.5E40 S104 S105 L106 F110 K111 I112 E150E40-R108 HydrophobicContact CB-CB 4.3Å; E40-R108 HydrophobicContact CG-CB 3.78Å; E40-R108 WeakPolarHBondContact OE1-CD 3.24Å; E40-R108 IonicContact OE1-CZ 3.78Å; E40-R108 IonicContact OE1-NE 3.4Å; E40-R108 IonicContact OE1-NH1 2.7Å; E40-R108 PolarHBondContact OE1-NH1 3.49Å; S104-R108 WeakPolarHBondContact O-CG 3.35Å; S104-R108 PolarHBondContact O-N 2.73Å; S104-R108 VanDerWaalsContact O-N 3.09Å; S105-R108 PolarHBondContact O-N 3.27Å; L106-R108 VanDerWaalsContact C-N 3.35Å; L106-R108 PolarHBondContact O-N 3.34Å; R108-F110 VanDerWaalsContact C-N 3.32Å; R108-F110 PolarHBondContact O-N 3.19Å; R108-K111 WeakPolarHBondContact O-CB 3.5Å; R108-K111 PolarHBondContact O-N 3.46Å; R108-I112 WeakPolarHBondContact O-CG1 3.38Å; R108-I112 PolarHBondContact O-N 2.92Å; R108-E150 WeakPolarHBondContact CG-OE1 3.46Å; R108-E150 IonicContact CZ-OE2 2.99Å; R108-E150 VanDerWaalsContact CZ-OE2 3.25Å; R108-E150 IonicContact NE-OE1 2.73Å; R108-E150 PolarHBondContact NE-OE1 3.01Å; R108-E150 IonicContact NE-OE2 3.85Å; R108-E150 PolarHBondContact NE-OE2 2.67Å; R108-E150 IonicContact NH2-OE2 2.87Å; R108-E150 PolarHBondContact NH2-OE2 3.2Å
109V90.8Very high85.3Confident2 Ų239.4 Ų39.41%0.01218%0.182CC..Hα-helixtrans-58.8-45.7168.5164.70000110.1V16 E40 I43 I44 S105 L106 K111 I112 L113V16-V109 HydrophobicContact CB-CG1 4.46Å; V16-V109 HydrophobicContact CG1-CG1 3.8Å; V16-V109 HydrophobicContact CG2-CG1 3.79Å; E40-V109 HydrophobicContact CB-CG2 4.07Å; E40-V109 HydrophobicContact CG-CG2 4.5Å; I43-V109 HydrophobicContact CG2-CG2 4.31Å; I44-V109 HydrophobicContact CD1-CB 4.44Å; I44-V109 HydrophobicContact CD1-CG1 4.05Å; I44-V109 HydrophobicContact CD1-CG2 4.43Å; I44-V109 HydrophobicContact CG1-CG1 3.9Å; I44-V109 HydrophobicContact CG1-CG2 4.23Å; S105-V109 WeakPolarHBondContact O-CG2 3.45Å; S105-V109 PolarHBondContact O-N 3.22Å; L106-V109 WeakPolarHBondContact O-CB 3.47Å; L106-V109 PolarHBondContact O-N 3.21Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 3.31Å; V109-I112 PolarHBondContact O-N 3.03Å; V109-L113 HydrophobicContact CG1-CD1 4.07Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 VanDerWaalsContact O-CG 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.35Å; V109-L113 PolarHBondContact O-N 2.79Å
110F89.8Confident86.2Confident0 Ų040.4 Ų40.40%019%0.186CC..Hα-helixtrans-63.6-32.5174.5-83.4-74.1000114T11 A15 V16 I19 L106 A107 R108 L113 S114 L123 R124 A127T11-F110 HydrophobicContact CG2-CE2 4.48Å; A15-F110 HydrophobicContact CB-CZ 4.34Å; V16-F110 HydrophobicContact CG2-CD2 4.2Å; V16-F110 HydrophobicContact CG2-CE1 4.12Å; V16-F110 HydrophobicContact CG2-CE2 3.64Å; V16-F110 HydrophobicContact CG2-CZ 3.58Å; I19-F110 HydrophobicContact CD1-CE1 4.16Å; L106-F110 HydrophobicContact CD1-CD2 4.33Å; L106-F110 HydrophobicContact CD1-CE2 4.01Å; L106-F110 HydrophobicContact CG-CD2 4.28Å; L106-F110 HydrophobicContact CG-CE2 4.12Å; L106-F110 VanDerWaalsContact O-CD2 3.29Å; L106-F110 WeakPolarHBondContact O-CD2 3.46Å; L106-F110 PolarHBondContact O-N 3.42Å; A107-F110 WeakPolarHBondContact O-CB 3.42Å; A107-F110 PolarHBondContact O-N 2.79Å; R108-F110 VanDerWaalsContact C-N 3.32Å; R108-F110 PolarHBondContact O-N 3.19Å; F110-L113 HydrophobicContact CD1-CD1 4.4Å; F110-S114 PolarHBondContact O-N 3.05Å; F110-L123 HydrophobicContact CD1-CB 4.47Å; F110-R124 HydrophobicContact CB-CB 4.24Å; F110-A127 HydrophobicContact CB-CB 4.07Å; F110-A127 HydrophobicContact CD2-CB 3.64Å; F110-A127 HydrophobicContact CE2-CB 4.39Å; F110-A127 HydrophobicContact CG-CB 4.02Å
111K91.6Very high87.2Confident61 Ų6143.4 Ų43.427%0.26521%0.205SC..Hα-helixtrans-57.6-56.7169.8170.3-168.6171.7-173.60110.7A107 R108 V109 L113 S114 E115 R124 Y128 V154A107-K111 PolarHBondContact O-N 2.91Å; R108-K111 WeakPolarHBondContact O-CB 3.5Å; R108-K111 PolarHBondContact O-N 3.46Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 3.31Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 3.33Å; K111-S114 WeakPolarHBondContact O-CB 3.2Å; K111-S114 PolarHBondContact O-N 2.88Å; K111-S114 PolarHBondContact O-OG 2.91Å; K111-E115 WeakPolarHBondContact CE-OE1 3.47Å; K111-E115 HydrophobicContact CG-CG 4.5Å; K111-E115 WeakPolarHBondContact CG-OE1 3.46Å; K111-E115 WeakPolarHBondContact O-CG 3.31Å; K111-E115 PolarHBondContact O-N 3.28Å; K111-R124 HydrophobicContact CB-CG 4.36Å; K111-Y128 HydrophobicContact CB-CE2 4.15Å; K111-V154 HydrophobicContact CB-CG1 4.31Å; K111-V154 HydrophobicContact CD-CG1 4.13Å; K111-V154 HydrophobicContact CD-CG2 3.88Å; K111-V154 HydrophobicContact CG-CG1 3.95Å
112I89.2Confident87.6Confident17 Ų1747.5 Ų47.59%0.08722%0.215CC..Hα-helixtrans-59.9-41.7-177.7-62.2157.8000110.9L35 E40 I44 R108 V109 S114 E115 Q116L35-I112 HydrophobicContact CD2-CG2 3.52Å; E40-I112 HydrophobicContact CB-CD1 3.79Å; I44-I112 HydrophobicContact CD1-CB 3.62Å; I44-I112 HydrophobicContact CD1-CD1 3.98Å; I44-I112 HydrophobicContact CD1-CG1 4.43Å; I44-I112 HydrophobicContact CD1-CG2 3.53Å; R108-I112 WeakPolarHBondContact O-CG1 3.38Å; R108-I112 PolarHBondContact O-N 2.92Å; V109-I112 PolarHBondContact O-N 3.03Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 3.11Å; I112-E115 PolarHBondContact O-N 3.27Å; I112-Q116 HydrophobicContact CG2-CG 4.42Å; I112-Q116 WeakPolarHBondContact O-CB 3.41Å; I112-Q116 WeakPolarHBondContact O-CG 3.33Å; I112-Q116 PolarHBondContact O-N 3.37Å
113L88.9Confident87.9Confident1 Ų149.9 Ų49.91%0.00523%0.227CC..Hα-helixtrans-61.3-35.7175.2-66.5173.5000112.9V16 L20 I44 V109 F110 K111 R117 L118 C119V16-L113 HydrophobicContact CB-CD1 4.37Å; V16-L113 HydrophobicContact CG1-CD1 4.11Å; V16-L113 HydrophobicContact CG2-CD1 4Å; L20-L113 HydrophobicContact CD2-CD2 3.89Å; L20-L113 HydrophobicContact CG-CD2 4.37Å; I44-L113 HydrophobicContact CD1-CD2 4.42Å; I44-L113 HydrophobicContact CD1-CG 4.4Å; I44-L113 HydrophobicContact CG2-CD2 4.48Å; V109-L113 HydrophobicContact CG1-CD1 4.07Å; V109-L113 HydrophobicContact CG1-CG 4.44Å; V109-L113 VanDerWaalsContact O-CG 3.29Å; V109-L113 WeakPolarHBondContact O-CG 3.35Å; V109-L113 PolarHBondContact O-N 2.79Å; F110-L113 HydrophobicContact CD1-CD1 4.4Å; K111-L113 VanDerWaalsContact C-N 3.31Å; K111-L113 PolarHBondContact O-N 3.33Å; L113-R117 PolarHBondContact O-N 3.36Å; L113-L118 HydrophobicContact CD2-CB 4.44Å; L113-L118 HydrophobicContact CD2-CD1 3.71Å; L113-L118 WeakPolarHBondContact O-CB 3.22Å; L113-L118 PolarHBondContact O-N 3.34Å; L113-C119 HydrophobicContact CB-CB 3.89Å; L113-C119 PolarHBondContact O-N 2.73Å
114S89.7Confident88.3Confident15 Ų1551.2 Ų51.211%0.10523%0.232CC..Hα-helixtrans-72.7-38.6175.776.70000112.6F110 K111 I112 Q116 R117 R124F110-S114 PolarHBondContact O-N 3.05Å; K111-S114 WeakPolarHBondContact O-CB 3.2Å; K111-S114 PolarHBondContact O-N 2.88Å; K111-S114 PolarHBondContact O-OG 2.91Å; I112-S114 VanDerWaalsContact C-N 3.3Å; I112-S114 PolarHBondContact O-N 3.11Å; S114-Q116 VanDerWaalsContact C-N 3.31Å; S114-Q116 PolarHBondContact O-N 2.87Å; S114-R117 WeakPolarHBondContact O-CA 3.17Å; S114-R117 PolarHBondContact O-N 3.33Å; S114-R124 WeakPolarHBondContact OG-CD 3.5Å
115E88.4Confident88.4Confident113 Ų11352 Ų5253%0.52824%0.235SC..Hα-helixtrans-64.2-38.6176.1-70.5168.6172.100110.7K111 I112 R117K111-E115 WeakPolarHBondContact CE-OE1 3.47Å; K111-E115 HydrophobicContact CG-CG 4.5Å; K111-E115 WeakPolarHBondContact CG-OE1 3.46Å; K111-E115 WeakPolarHBondContact O-CG 3.31Å; K111-E115 PolarHBondContact O-N 3.28Å; I112-E115 PolarHBondContact O-N 3.27Å; E115-R117 PolarHBondContact O-N 2.83Å
116Q86.9Confident88.4Confident45 Ų4554 Ų5421%0.2125%0.245CC..THydrogen-bonded Turntrans-77.84.5172.5-62.6-62.5-19.400114.3R27 L31 I112 S114 L118R27-Q116 PolarHBondContact NH2-O 3.15Å; L31-Q116 HydrophobicContact CD2-CB 3.91Å; L31-Q116 HydrophobicContact CD2-CG 3.63Å; I112-Q116 HydrophobicContact CG2-CG 4.42Å; I112-Q116 WeakPolarHBondContact O-CB 3.41Å; I112-Q116 WeakPolarHBondContact O-CG 3.33Å; I112-Q116 PolarHBondContact O-N 3.37Å; S114-Q116 VanDerWaalsContact C-N 3.31Å; S114-Q116 PolarHBondContact O-N 2.87Å; Q116-L118 HydrophobicContact CB-CD1 3.99Å; Q116-L118 HydrophobicContact CB-CG 4.09Å; Q116-L118 PolarHBondContact O-N 2.74Å
117R83.9Confident88.4Confident230 Ų23054 Ų5487%0.86825%0.246SC*.THydrogen-bonded Turntrans56.929.8-179.8-53.8-175.2-178-1750.5115L113 S114 E115L113-R117 PolarHBondContact O-N 3.36Å; S114-R117 WeakPolarHBondContact O-CA 3.17Å; S114-R117 PolarHBondContact O-N 3.33Å; E115-R117 PolarHBondContact O-N 2.83Å
118L85.4Confident88.4Confident39 Ų3954 Ų5420%0.20425%0.246CC..SBendtrans-89.9-18.4175.1-55.8167.4000111.9I19 L20 A23 R27 L31 L113 Q116I19-L118 HydrophobicContact CG2-CB 3.9Å; I19-L118 WeakPolarHBondContact CG2-O 3.41Å; L20-L118 HydrophobicContact CD2-CD1 4.18Å; A23-L118 HydrophobicContact CB-CD2 4.39Å; R27-L118 HydrophobicContact CG-CD2 4.02Å; L31-L118 HydrophobicContact CD1-CD1 3.61Å; L31-L118 HydrophobicContact CD2-CD1 4.13Å; L113-L118 HydrophobicContact CD2-CB 4.44Å; L113-L118 HydrophobicContact CD2-CD1 3.71Å; L113-L118 WeakPolarHBondContact O-CB 3.22Å; L113-L118 PolarHBondContact O-N 3.34Å; Q116-L118 HydrophobicContact CB-CD1 3.99Å; Q116-L118 HydrophobicContact CB-CG 4.09Å; Q116-L118 PolarHBondContact O-N 2.74Å
119C87.4Confident88.1Confident13 Ų1355.2 Ų55.29%0.08825%0.253CS..SBendtrans-138.8145-172-167.70000111.2I19 L113 L123I19-C119 HydrophobicContact CD1-CB 4.16Å; L113-C119 HydrophobicContact CB-CB 3.89Å; L113-C119 PolarHBondContact O-N 2.73Å; C119-L123 VanDerWaalsContact SG-CB 3.59Å; C119-L123 VanDerWaalsContact SG-CD1 3.58Å
120D86.5Confident87.8Confident80 Ų8056.3 Ų56.343%0.42826%0.257SS..  trans-66.4130.8174.2-174.6-36.6000109.7R122 L123D120-R122 PolarHBondContact O-N 3.27Å; D120-R122 VanDerWaalsContact OD1-CB 3.25Å; D120-R122 WeakPolarHBondContact OD1-CB 3.36Å; D120-R122 VanDerWaalsContact OD1-CG 3.23Å; D120-R122 WeakPolarHBondContact OD1-CG 3.4Å; D120-R122 PolarHBondContact OD1-N 2.81Å; D120-L123 PolarHBondContact O-N 2.8Å
121P88.7Confident87.6Confident67 Ų6756.4 Ų56.444%0.43526%0.257SS..Hα-helixtrans-48.7-27.8173.7-29.836.4000114.7L123 R124 D125P121-L123 VanDerWaalsContact C-N 3.32Å; P121-L123 PolarHBondContact O-N 2.78Å; P121-R124 WeakPolarHBondContact O-CB 3.26Å; P121-R124 PolarHBondContact O-N 2.72Å; P121-D125 PolarHBondContact O-N 3.41Å; P121-D125 VanDerWaalsContact O-OD1 3.09Å
122R86.6Confident87.2Confident196 Ų19655 Ų5574%0.7425%0.252SS*.Hα-helixtrans-60-36.4174.1-67.9169.7170.6-168.2-2.8113.4D120 L126D120-R122 PolarHBondContact O-N 3.27Å; D120-R122 VanDerWaalsContact OD1-CB 3.25Å; D120-R122 WeakPolarHBondContact OD1-CB 3.36Å; D120-R122 VanDerWaalsContact OD1-CG 3.23Å; D120-R122 WeakPolarHBondContact OD1-CG 3.4Å; D120-R122 PolarHBondContact OD1-N 2.81Å; R122-L126 VanDerWaalsContact O-CB 3.32Å; R122-L126 WeakPolarHBondContact O-CB 3.19Å; R122-L126 PolarHBondContact O-N 3.03Å
123L87.3Confident86.7Confident54 Ų5458.3 Ų58.328%0.28328%0.277SS..Hα-helixtrans-73.2-37.9178-73.5168.6000111.1T11 F110 C119 D120 P121 L126 A127T11-L123 HydrophobicContact CG2-CD2 4.41Å; T11-L123 VanDerWaalsContact CG2-O 3.26Å; T11-L123 WeakPolarHBondContact CG2-O 3.26Å; F110-L123 HydrophobicContact CD1-CB 4.47Å; C119-L123 VanDerWaalsContact SG-CB 3.59Å; C119-L123 VanDerWaalsContact SG-CD1 3.58Å; D120-L123 PolarHBondContact O-N 2.8Å; P121-L123 VanDerWaalsContact C-N 3.32Å; P121-L123 PolarHBondContact O-N 2.78Å; L123-L126 PolarHBondContact O-N 2.9Å; L123-A127 WeakPolarHBondContact O-CB 3.44Å; L123-A127 PolarHBondContact O-N 3Å
124R90.3Very high86Confident40 Ų4059.6 Ų59.615%0.15129%0.286CS..Hα-helixtrans-59.4-52.1169.1171.1-155.273.3170.25111.5F110 K111 S114 P121 L126 A127 Y128 V154F110-R124 HydrophobicContact CB-CB 4.24Å; K111-R124 HydrophobicContact CB-CG 4.36Å; S114-R124 WeakPolarHBondContact OG-CD 3.5Å; P121-R124 WeakPolarHBondContact O-CB 3.26Å; P121-R124 PolarHBondContact O-N 2.72Å; R124-L126 PolarHBondContact O-N 3.3Å; R124-A127 WeakPolarHBondContact O-CB 3.44Å; R124-A127 PolarHBondContact O-N 2.91Å; R124-Y128 HydrophobicContact CG-CD2 4Å; R124-Y128 HydrophobicContact CG-CE2 3.99Å; R124-Y128 WeakPolarHBondContact O-CD2 3.38Å; R124-Y128 PolarHBondContact O-N 3.29Å; R124-V154 HydrophobicContact CG-CG1 4.41Å; R124-V154 PolarHBondContact NH1-O 2.92Å; R124-V154 PolarHBondContact NH2-O 2.68Å; R124-V154 VanDerWaalsContact NH2-O 3.09Å
125D88.9Confident84.5Confident28 Ų2867.5 Ų67.515%0.1532%0.319CS..Hα-helixtrans-56.1-41.5178.1-8031.4000111.2P121 K129 C155 F159P121-D125 PolarHBondContact O-N 3.41Å; P121-D125 VanDerWaalsContact O-OD1 3.09Å; D125-K129 WeakPolarHBondContact O-CG 3.39Å; D125-K129 PolarHBondContact O-N 2.9Å; D125-C155 WeakPolarHBondContact OD1-CB 3.25Å; D125-F159 HydrophobicContact CB-CZ 3.99Å; D125-F159 WeakPolarHBondContact O-CZ 3.48Å
126L87.8Confident82.9Confident49 Ų4965.3 Ų65.326%0.25732%0.315SS..Hα-helixtrans-66.8-38.7176.4-162.6153.5000111.9Q9 T11 R122 L123 R124 K129 R130Q9-L126 HydrophobicContact CB-CD1 4.03Å; Q9-L126 HydrophobicContact CB-CD2 3.56Å; Q9-L126 HydrophobicContact CB-CG 4.45Å; T11-L126 HydrophobicContact CG2-CB 4.06Å; T11-L126 HydrophobicContact CG2-CD2 3.46Å; T11-L126 VanDerWaalsContact CG2-CD2 3.46Å; T11-L126 HydrophobicContact CG2-CG 4.33Å; T11-L126 VanDerWaalsContact OG1-CD2 3.29Å; T11-L126 WeakPolarHBondContact OG1-CD2 3.35Å; R122-L126 VanDerWaalsContact O-CB 3.32Å; R122-L126 WeakPolarHBondContact O-CB 3.19Å; R122-L126 PolarHBondContact O-N 3.03Å; L123-L126 PolarHBondContact O-N 2.9Å; R124-L126 PolarHBondContact O-N 3.3Å; L126-K129 PolarHBondContact O-N 3.41Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 PolarHBondContact O-N 3.4Å
127A88.6Confident81.5Confident5 Ų564 Ų644%0.04131%0.309CS..Hα-helixtrans-64.3-43.4176.300000112T11 A107 F110 L123 R124 R130 A131T11-A127 HydrophobicContact CG2-CB 3.92Å; A107-A127 HydrophobicContact CB-CB 4.2Å; F110-A127 HydrophobicContact CB-CB 4.07Å; F110-A127 HydrophobicContact CD2-CB 3.64Å; F110-A127 HydrophobicContact CE2-CB 4.39Å; F110-A127 HydrophobicContact CG-CB 4.02Å; L123-A127 WeakPolarHBondContact O-CB 3.44Å; L123-A127 PolarHBondContact O-N 3Å; R124-A127 WeakPolarHBondContact O-CB 3.44Å; R124-A127 PolarHBondContact O-N 2.91Å; A127-R130 PolarHBondContact O-N 2.8Å; A127-A131 PolarHBondContact O-N 2.99Å
128Y88.3Confident80Confident0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-64.1-39.2172.5-83-84000112.2A107 K111 R124 A131 I132 F147 E150 A151 V154 C155A107-Y128 HydrophobicContact CB-CD1 4.02Å; A107-Y128 HydrophobicContact CB-CD2 4Å; A107-Y128 HydrophobicContact CB-CE1 4.16Å; A107-Y128 HydrophobicContact CB-CE2 4.12Å; A107-Y128 HydrophobicContact CB-CG 3.95Å; A107-Y128 WeakPolarHBondContact O-CE2 3.27Å; K111-Y128 HydrophobicContact CB-CE2 4.15Å; R124-Y128 HydrophobicContact CG-CD2 4Å; R124-Y128 HydrophobicContact CG-CE2 3.99Å; R124-Y128 WeakPolarHBondContact O-CD2 3.38Å; R124-Y128 PolarHBondContact O-N 3.29Å; Y128-A131 PolarHBondContact O-N 2.96Å; Y128-I132 WeakPolarHBondContact O-CG1 3.49Å; Y128-I132 PolarHBondContact O-N 3.33Å; Y128-F147 HydrophobicContact CD1-CE1 4.09Å; Y128-F147 AromaticContact CD1-CE2 3.95Å; Y128-F147 HydrophobicContact CD1-CE2 3.95Å; Y128-F147 AromaticContact CD1-CZ 3.48Å; Y128-F147 HydrophobicContact CD1-CZ 3.48Å; Y128-F147 VanDerWaalsContact CD1-CZ 3.48Å; Y128-F147 HydrophobicContact CE1-CD2 4.47Å; Y128-F147 AromaticContact CE1-CE2 3.61Å; Y128-F147 HydrophobicContact CE1-CE2 3.61Å; Y128-F147 AromaticContact CE1-CZ 3.65Å; Y128-F147 HydrophobicContact CE1-CZ 3.65Å; Y128-E150 WeakPolarHBondContact CE1-OE1 3.27Å; Y128-E150 PolarHBondContact OH-OE1 2.88Å; Y128-A151 HydrophobicContact CD1-CB 3.56Å; Y128-A151 HydrophobicContact CE1-CB 4.24Å; Y128-A151 HydrophobicContact CG-CB 4.16Å; Y128-V154 HydrophobicContact CE2-CG1 3.93Å; Y128-C155 WeakPolarHBondContact CD2-SG 3.49Å
129K85.9Confident78.4Confident104 Ų10462.4 Ų62.445%0.45232%0.322SS..Hα-helixtrans-61.7-43.1173-73.8-179.4-177.7-178.40112D125 L126 S133 F159D125-K129 WeakPolarHBondContact O-CG 3.39Å; D125-K129 PolarHBondContact O-N 2.9Å; L126-K129 PolarHBondContact O-N 3.41Å; K129-S133 VanDerWaalsContact O-CB 3.26Å; K129-S133 WeakPolarHBondContact O-CB 3.19Å; K129-S133 PolarHBondContact O-N 3Å; K129-S133 PolarHBondContact O-OG 3.29Å; K129-F159 HydrophobicContact CB-CE1 4.45Å; K129-F159 HydrophobicContact CD-CE1 4.41Å; K129-F159 HydrophobicContact CD-CZ 4.27Å; K129-F159 HydrophobicContact CG-CD1 4.27Å; K129-F159 HydrophobicContact CG-CE1 3.45Å; K129-F159 VanDerWaalsContact CG-CE1 3.45Å; K129-F159 HydrophobicContact CG-CZ 3.75Å
130R84.6Confident76.9Confident26 Ų2663.5 Ų63.510%0.09833%0.33CS..Hα-helixtrans-62.1-41.8176.9-178.6176.8176.4175.50.5111.5L6 E7 L103 L126 A127L6-R130 HydrophobicContact CD2-CG 4.07Å; E7-R130 IonicContact OE1-NH2 3.17Å; E7-R130 PolarHBondContact OE1-NH2 2.95Å; L103-R130 HydrophobicContact CD2-CG 4.28Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 PolarHBondContact O-N 3.4Å; A127-R130 PolarHBondContact O-N 2.8Å
131A85.8Confident75.7Confident1 Ų163.8 Ų63.81%0.00834%0.338CS..Hα-helixtrans-64.1-55.7176.200000111.8L103 A107 A127 Y128 S133 C134 L137 F147L103-A131 HydrophobicContact CB-CB 3.94Å; A107-A131 HydrophobicContact CB-CB 4.36Å; A127-A131 PolarHBondContact O-N 2.99Å; Y128-A131 PolarHBondContact O-N 2.96Å; A131-S133 PolarHBondContact O-N 2.86Å; A131-C134 WeakPolarHBondContact O-CB 2.92Å; A131-C134 PolarHBondContact O-N 2.67Å; A131-L137 WeakPolarHBondContact O-CD1 3.43Å; A131-F147 HydrophobicContact CB-CE1 3.54Å; A131-F147 HydrophobicContact CB-CZ 3.7Å
132I83.1Confident74.5Confident31 Ų3166.3 Ų66.316%0.15935%0.347CS..Hα-helixtrans-58.7-36-179.9-66.3165.6000112Y128 C134 Y144 F147 A151 F159Y128-I132 WeakPolarHBondContact O-CG1 3.49Å; Y128-I132 PolarHBondContact O-N 3.33Å; I132-C134 PolarHBondContact O-N 3.35Å; I132-Y144 HydrophobicContact CG2-CE2 4.23Å; I132-F147 HydrophobicContact CG1-CD1 4.17Å; I132-F147 HydrophobicContact CG1-CE1 4Å; I132-A151 HydrophobicContact CD1-CB 3.63Å; I132-F159 HydrophobicContact CD1-CD1 3.9Å
133S78.8Confident73.6Confident88 Ų8862.8 Ų62.862%0.61534%0.34SS*.THydrogen-bonded Turntrans-70.9-6.1178.2-55.60000113.9K129 A131 K135K129-S133 VanDerWaalsContact O-CB 3.26Å; K129-S133 WeakPolarHBondContact O-CB 3.19Å; K129-S133 PolarHBondContact O-N 3Å; K129-S133 PolarHBondContact O-OG 3.29Å; A131-S133 PolarHBondContact O-N 2.86Å; S133-K135 PolarHBondContact O-N 3.05Å
134C73.6Confident73Confident27 Ų2763.3 Ų63.318%0.18234%0.338CS..  trans-84.4113.7-177.3-168.10000112.3L103 A131 I132 C136 L137L103-C134 HydrophobicContact CD1-CB 3.49Å; L103-C134 VanDerWaalsContact CD1-CB 3.49Å; L103-C134 VanDerWaalsContact CD1-SG 3.54Å; A131-C134 WeakPolarHBondContact O-CB 2.92Å; A131-C134 PolarHBondContact O-N 2.67Å; I132-C134 PolarHBondContact O-N 3.35Å; C134-C136 PolarHBondContact O-N 3.09Å; C134-L137 PolarHBondContact O-N 2.93Å; C134-L137 VanDerWaalsContact O-N 3.13Å
135K59Low72.4Confident182 Ų18263.8 Ų63.879%0.79134%0.344SS*.G310 helixtrans-58.8-11.4176.4-60.2-175179.7-177.50114.4S133 L137 N138S133-K135 PolarHBondContact O-N 3.05Å; K135-L137 VanDerWaalsContact C-N 3.35Å; K135-N138 PolarHBondContact O-ND2 2.84Å
136C54.3Low72.1Confident67 Ų6766.9 Ų66.945%0.45336%0.36SS..G310 helixtrans-84.2-1.9178.3-56.70000114C134C134-C136 PolarHBondContact O-N 3.09Å
137L57.3Low71.9Confident17 Ų1764.9 Ų64.99%0.08935%0.35CS..G310 helixtrans-77.8-4.5170.1-76.7170.5000113.9A131 C134 K135 T139 Y144 F147A131-L137 WeakPolarHBondContact O-CD1 3.43Å; C134-L137 PolarHBondContact O-N 2.93Å; C134-L137 VanDerWaalsContact O-N 3.13Å; K135-L137 VanDerWaalsContact C-N 3.35Å; L137-T139 PolarHBondContact O-N 3.46Å; L137-Y144 HydrophobicContact CB-CD2 3.91Å; L137-Y144 HydrophobicContact CD1-CD2 4Å; L137-Y144 HydrophobicContact CD1-CE2 4.33Å; L137-F147 HydrophobicContact CD1-CD1 4.49Å
138N51.5Low71.7Confident124 Ų12468.1 Ų68.166%0.66336%0.361SS*.THydrogen-bonded Turntrans-74.315.6-173.4-67-15.1000114.9K135K135-N138 PolarHBondContact O-ND2 2.84Å
139T51.4Low71.5Confident112 Ų11273.9 Ų73.969%0.68739%0.388SS*.THydrogen-bonded Turntrans-74.1-33.318044.10000112.8L137L137-T139 PolarHBondContact O-N 3.46Å
140S56.2Low71.6Confident35 Ų3570.9 Ų70.925%0.24538%0.375CS..  trans-143.6135.7163.4960000111.6L142 E143 Y144S140-L142 PolarHBondContact O-N 2.78Å; S140-E143 VanDerWaalsContact CB-OE2 3.28Å; S140-E143 WeakPolarHBondContact CB-OE2 3.3Å; S140-E143 WeakPolarHBondContact OG-CB 3.21Å; S140-E143 VanDerWaalsContact OG-CD 3.26Å; S140-E143 WeakPolarHBondContact OG-CG 3.36Å; S140-E143 PolarHBondContact OG-N 2.97Å; S140-E143 PolarHBondContact OG-OE2 3.26Å; S140-Y144 PolarHBondContact O-N 3.29Å
141S61.8Low71.7Confident87 Ų8769.7 Ų69.761%0.60837%0.371SS*.Hα-helixtrans-61.7-34.6177.1-169.10000111.7Y144 D145S141-Y144 PolarHBondContact O-N 2.93Å; S141-D145 WeakPolarHBondContact O-CB 3.13Å; S141-D145 PolarHBondContact O-N 3.17Å; S141-D145 VanDerWaalsContact O-OD2 3.05Å; S141-D145 PolarHBondContact OG-OD2 2.99Å
142L62.8Low71.8Confident119 Ų11976.3 Ų76.362%0.62340%0.396SS*.Hα-helixtrans-70.3-39.5-173.2-171.966000112.2S140 D145 N146S140-L142 PolarHBondContact O-N 2.78Å; L142-D145 PolarHBondContact O-N 2.98Å; L142-N146 WeakPolarHBondContact O-CB 3.33Å; L142-N146 PolarHBondContact O-N 3.15Å; L142-N146 PolarHBondContact O-ND2 3.46Å; L142-N146 PolarHBondContact O-OD1 2.94Å
143E68.7Low72Confident123 Ų12379.1 Ų79.158%0.57542%0.423SS*.Hα-helixtrans-72.4-36.1177.3-69.4159.5143.300111.5S140 N146 F147S140-E143 VanDerWaalsContact CB-OE2 3.28Å; S140-E143 WeakPolarHBondContact CB-OE2 3.3Å; S140-E143 WeakPolarHBondContact OG-CB 3.21Å; S140-E143 VanDerWaalsContact OG-CD 3.26Å; S140-E143 WeakPolarHBondContact OG-CG 3.36Å; S140-E143 PolarHBondContact OG-N 2.97Å; S140-E143 PolarHBondContact OG-OE2 3.26Å; E143-N146 PolarHBondContact O-N 3.5Å; E143-F147 VanDerWaalsContact O-CB 3.26Å; E143-F147 WeakPolarHBondContact O-CB 3.27Å; E143-F147 PolarHBondContact O-N 3.4Å
144Y74.3Confident72.3Confident65 Ų6576.2 Ų76.226%0.25540%0.402SS..Hα-helixtrans-64.1-40.9171.3178.7-101.8000112.4I132 L137 S140 S141 R148I132-Y144 HydrophobicContact CG2-CE2 4.23Å; L137-Y144 HydrophobicContact CB-CD2 3.91Å; L137-Y144 HydrophobicContact CD1-CD2 4Å; L137-Y144 HydrophobicContact CD1-CE2 4.33Å; S140-Y144 PolarHBondContact O-N 3.29Å; S141-Y144 PolarHBondContact O-N 2.93Å; Y144-R148 VanDerWaalsContact CE1-NH1 3.33Å; Y144-R148 WeakPolarHBondContact O-CB 3.25Å; Y144-R148 PolarHBondContact O-N 3.5Å
145D76.9Confident72.9Confident50 Ų5075.5 Ų75.527%0.26740%0.397SS..Hα-helixtrans-63.4-50.2174-72.2-36.7000111.5S141 L142 F147 R148 E149S141-D145 WeakPolarHBondContact O-CB 3.13Å; S141-D145 PolarHBondContact O-N 3.17Å; S141-D145 VanDerWaalsContact O-OD2 3.05Å; S141-D145 PolarHBondContact OG-OD2 2.99Å; L142-D145 PolarHBondContact O-N 2.98Å; D145-F147 PolarHBondContact O-N 3.02Å; D145-R148 PolarHBondContact O-N 3Å; D145-R148 IonicContact OD1-CZ 3.69Å; D145-R148 IonicContact OD1-NH1 3.88Å; D145-R148 PolarHBondContact OD1-NH1 3.43Å; D145-R148 IonicContact OD1-NH2 3.15Å; D145-R148 PolarHBondContact OD1-NH2 3.38Å; D145-E149 PolarHBondContact O-N 2.93Å
146N83Confident74.1Confident93 Ų9367.6 Ų67.650%0.49737%0.367SS..Hα-helixtrans-57.8-44.9176.7-68.9-19.9000112.2L142 E143 E149 E150L142-N146 WeakPolarHBondContact O-CB 3.33Å; L142-N146 PolarHBondContact O-N 3.15Å; L142-N146 PolarHBondContact O-ND2 3.46Å; L142-N146 PolarHBondContact O-OD1 2.94Å; E143-N146 PolarHBondContact O-N 3.5Å; N146-E149 PolarHBondContact O-N 2.93Å; N146-E150 PolarHBondContact O-N 2.96Å
147F84.4Confident75Confident7 Ų769.2 Ų69.23%0.03138%0.377CS..Hα-helixtrans-70.5-30.4-179.8-176.3-103.2000112.6A107 Y128 A131 I132 L137 E143 D145 E150 A151A107-F147 HydrophobicContact CB-CZ 4.04Å; Y128-F147 HydrophobicContact CD1-CE1 4.09Å; Y128-F147 AromaticContact CD1-CE2 3.95Å; Y128-F147 HydrophobicContact CD1-CE2 3.95Å; Y128-F147 AromaticContact CD1-CZ 3.48Å; Y128-F147 HydrophobicContact CD1-CZ 3.48Å; Y128-F147 VanDerWaalsContact CD1-CZ 3.48Å; Y128-F147 HydrophobicContact CE1-CD2 4.47Å; Y128-F147 AromaticContact CE1-CE2 3.61Å; Y128-F147 HydrophobicContact CE1-CE2 3.61Å; Y128-F147 AromaticContact CE1-CZ 3.65Å; Y128-F147 HydrophobicContact CE1-CZ 3.65Å; A131-F147 HydrophobicContact CB-CE1 3.54Å; A131-F147 HydrophobicContact CB-CZ 3.7Å; I132-F147 HydrophobicContact CG1-CD1 4.17Å; I132-F147 HydrophobicContact CG1-CE1 4Å; L137-F147 HydrophobicContact CD1-CD1 4.49Å; E143-F147 VanDerWaalsContact O-CB 3.26Å; E143-F147 WeakPolarHBondContact O-CB 3.27Å; E143-F147 PolarHBondContact O-N 3.4Å; D145-F147 PolarHBondContact O-N 3.02Å; F147-E150 WeakPolarHBondContact O-CB 3.23Å; F147-E150 PolarHBondContact O-N 3.18Å; F147-A151 WeakPolarHBondContact O-CB 3.42Å; F147-A151 PolarHBondContact O-N 3.25Å
148R83.7Confident75.5Confident72 Ų7273.4 Ų73.427%0.27240%0.396SS..Hα-helixtrans-69.2-37.4171.5-172.4179.765.4-104-0.4111.8Y144 D145 A151 R152Y144-R148 VanDerWaalsContact CE1-NH1 3.33Å; Y144-R148 WeakPolarHBondContact O-CB 3.25Å; Y144-R148 PolarHBondContact O-N 3.5Å; D145-R148 PolarHBondContact O-N 3Å; D145-R148 IonicContact OD1-CZ 3.69Å; D145-R148 IonicContact OD1-NH1 3.88Å; D145-R148 PolarHBondContact OD1-NH1 3.43Å; D145-R148 IonicContact OD1-NH2 3.15Å; D145-R148 PolarHBondContact OD1-NH2 3.38Å; R148-A151 PolarHBondContact O-N 3.41Å; R148-R152 WeakPolarHBondContact O-CB 3.45Å; R148-R152 PolarHBondContact O-N 2.88Å
149E83.8Confident76.2Confident122 Ų12268.3 Ų68.357%0.5737%0.368SS*.Hα-helixtrans-68.1-39.1172.6-69-168.6168.300112.1D145 N146 R152 A153D145-E149 PolarHBondContact O-N 2.93Å; N146-E149 PolarHBondContact O-N 2.93Å; E149-R152 PolarHBondContact O-N 2.73Å; E149-A153 PolarHBondContact O-N 2.81Å
150E88.5Confident76.2Confident41 Ų4165.1 Ų65.119%0.19235%0.353CS..Hα-helixtrans-57.2-50170.3-168.5-161.3129.600111.2R108 Y128 N146 F147 R152 A153 V154R108-E150 WeakPolarHBondContact CG-OE1 3.46Å; R108-E150 IonicContact CZ-OE2 2.99Å; R108-E150 VanDerWaalsContact CZ-OE2 3.25Å; R108-E150 IonicContact NE-OE1 2.73Å; R108-E150 PolarHBondContact NE-OE1 3.01Å; R108-E150 IonicContact NE-OE2 3.85Å; R108-E150 PolarHBondContact NE-OE2 2.67Å; R108-E150 IonicContact NH2-OE2 2.87Å; R108-E150 PolarHBondContact NH2-OE2 3.2Å; Y128-E150 WeakPolarHBondContact CE1-OE1 3.27Å; Y128-E150 PolarHBondContact OH-OE1 2.88Å; N146-E150 PolarHBondContact O-N 2.96Å; F147-E150 WeakPolarHBondContact O-CB 3.23Å; F147-E150 PolarHBondContact O-N 3.18Å; E150-R152 VanDerWaalsContact C-N 3.34Å; E150-R152 PolarHBondContact O-N 2.76Å; E150-A153 PolarHBondContact O-N 3.21Å; E150-V154 HydrophobicContact CG-CG2 4.47Å; E150-V154 WeakPolarHBondContact O-CB 3.37Å; E150-V154 VanDerWaalsContact O-CG2 3.3Å; E150-V154 WeakPolarHBondContact O-CG2 3.31Å; E150-V154 PolarHBondContact O-N 2.99Å
151A87.4Confident75.8Confident0 Ų071.2 Ų71.20%038%0.378CS..Hα-helixtrans-61.1-40.117800000112.7Y128 I132 F147 R148 V154 C155 F159Y128-A151 HydrophobicContact CD1-CB 3.56Å; Y128-A151 HydrophobicContact CE1-CB 4.24Å; Y128-A151 HydrophobicContact CG-CB 4.16Å; I132-A151 HydrophobicContact CD1-CB 3.63Å; F147-A151 WeakPolarHBondContact O-CB 3.42Å; F147-A151 PolarHBondContact O-N 3.25Å; R148-A151 PolarHBondContact O-N 3.41Å; A151-V154 PolarHBondContact O-N 3.45Å; A151-C155 WeakPolarHBondContact O-CA 3.42Å; A151-C155 VanDerWaalsContact O-CB 3.29Å; A151-C155 WeakPolarHBondContact O-CB 3.42Å; A151-C155 PolarHBondContact O-N 3.22Å; A151-F159 HydrophobicContact CB-CD1 4.09Å
152R87Confident74.9Confident141 Ų14172.3 Ų72.353%0.53238%0.382SS..Hα-helixtrans-62-41.7174.5-179.6-173.1174.8-158-2.6111.9R148 E149 E150 G156 A160R148-R152 WeakPolarHBondContact O-CB 3.45Å; R148-R152 PolarHBondContact O-N 2.88Å; E149-R152 PolarHBondContact O-N 2.73Å; E150-R152 VanDerWaalsContact C-N 3.34Å; E150-R152 PolarHBondContact O-N 2.76Å; R152-G156 CarbonylContact O-C 3.59Å; R152-G156 VanDerWaalsContact O-CA 3.26Å; R152-G156 WeakPolarHBondContact O-CA 3.47Å; R152-G156 PolarHBondContact O-N 2.81Å; R152-A160 HydrophobicContact CG-CB 4.4Å
153A86.8Confident73.4Confident89 Ų8973.7 Ų73.774%0.73639%0.388SS*.Hα-helixtrans-71.1-37.2179.100000112.8E149 E150E149-A153 PolarHBondContact O-N 2.81Å; E150-A153 PolarHBondContact O-N 3.21Å
154V85.8Confident71.6Confident27 Ų2773.7 Ų73.716%0.16440%0.4CS..Hα-helixtrans-83.1-41.9-176.6173.80000112.3K111 R124 Y128 E150 A151K111-V154 HydrophobicContact CB-CG1 4.31Å; K111-V154 HydrophobicContact CD-CG1 4.13Å; K111-V154 HydrophobicContact CD-CG2 3.88Å; K111-V154 HydrophobicContact CG-CG1 3.95Å; R124-V154 HydrophobicContact CG-CG1 4.41Å; R124-V154 PolarHBondContact NH1-O 2.92Å; R124-V154 PolarHBondContact NH2-O 2.68Å; R124-V154 VanDerWaalsContact NH2-O 3.09Å; Y128-V154 HydrophobicContact CE2-CG1 3.93Å; E150-V154 HydrophobicContact CG-CG2 4.47Å; E150-V154 WeakPolarHBondContact O-CB 3.37Å; E150-V154 VanDerWaalsContact O-CG2 3.3Å; E150-V154 WeakPolarHBondContact O-CG2 3.31Å; E150-V154 PolarHBondContact O-N 2.99Å; A151-V154 PolarHBondContact O-N 3.45Å
155C85.9Confident69.5Low12 Ų1276.1 Ų76.18%0.08142%0.417CS..Hα-helixtrans-108.6-25.2-169.7-52.30000113.9D125 Y128 A151 Q158 F159D125-C155 WeakPolarHBondContact OD1-CB 3.25Å; Y128-C155 WeakPolarHBondContact CD2-SG 3.49Å; A151-C155 WeakPolarHBondContact O-CA 3.42Å; A151-C155 VanDerWaalsContact O-CB 3.29Å; A151-C155 WeakPolarHBondContact O-CB 3.42Å; A151-C155 PolarHBondContact O-N 3.22Å; C155-Q158 PolarHBondContact O-NE2 2.94Å; C155-F159 HydrophobicContact CB-CD1 4.46Å; C155-F159 HydrophobicContact CB-CD2 3.63Å; C155-F159 HydrophobicContact CB-CE1 4.05Å; C155-F159 HydrophobicContact CB-CE2 3.17Å; C155-F159 HydrophobicContact CB-CG 4.28Å; C155-F159 HydrophobicContact CB-CZ 3.41Å; C155-F159 VanDerWaalsContact CB-CZ 3.41Å
156G84.1Confident67.4Low16 Ų1678.7 Ų78.717%0.16544%0.436CS..  trans120.2180173.100000115.5R152 Q158 F159R152-G156 CarbonylContact O-C 3.59Å; R152-G156 VanDerWaalsContact O-CA 3.26Å; R152-G156 WeakPolarHBondContact O-CA 3.47Å; R152-G156 PolarHBondContact O-N 2.81Å; G156-Q158 PolarHBondContact O-N 2.86Å; G156-F159 PolarHBondContact O-N 2.84Å
157P72.9Confident65Low102 Ų10280 Ų8066%0.66245%0.452SS*.G310 helixtrans-65.4-20-172.727.7-35.9000114.4F159 A160P157-F159 PolarHBondContact O-N 3.03Å; P157-A160 VanDerWaalsContact O-CB 3.31Å; P157-A160 WeakPolarHBondContact O-CB 3.29Å; P157-A160 PolarHBondContact O-N 3.3Å
158Q68.4Low62.4Low105 Ų10586.9 Ų86.949%0.49149%0.49SS..G310 helixtrans-67.36.517674.1-75.58.100114.6C155 G156C155-Q158 PolarHBondContact O-NE2 2.94Å; G156-Q158 PolarHBondContact O-N 2.86Å
159F65.8Low60.2Low16 Ų1691.6 Ų91.67%0.0752%0.519CS..G310 helixtrans-110-0.9172.2-69.9-106.8000112.7D125 K129 I132 A151 C155 G156 P157D125-F159 HydrophobicContact CB-CZ 3.99Å; D125-F159 WeakPolarHBondContact O-CZ 3.48Å; K129-F159 HydrophobicContact CB-CE1 4.45Å; K129-F159 HydrophobicContact CD-CE1 4.41Å; K129-F159 HydrophobicContact CD-CZ 4.27Å; K129-F159 HydrophobicContact CG-CD1 4.27Å; K129-F159 HydrophobicContact CG-CE1 3.45Å; K129-F159 VanDerWaalsContact CG-CE1 3.45Å; K129-F159 HydrophobicContact CG-CZ 3.75Å; I132-F159 HydrophobicContact CD1-CD1 3.9Å; A151-F159 HydrophobicContact CB-CD1 4.09Å; C155-F159 HydrophobicContact CB-CD1 4.46Å; C155-F159 HydrophobicContact CB-CD2 3.63Å; C155-F159 HydrophobicContact CB-CE1 4.05Å; C155-F159 HydrophobicContact CB-CE2 3.17Å; C155-F159 HydrophobicContact CB-CG 4.28Å; C155-F159 HydrophobicContact CB-CZ 3.41Å; C155-F159 VanDerWaalsContact CB-CZ 3.41Å; G156-F159 PolarHBondContact O-N 2.84Å; P157-F159 PolarHBondContact O-N 3.03Å
160A52.7Low57.7Low46 Ų4695.7 Ų95.738%0.3854%0.535SS..SBendtrans-95.6-9.6-176.100000114.4R152 P157 P162R152-A160 HydrophobicContact CG-CB 4.4Å; P157-A160 VanDerWaalsContact O-CB 3.31Å; P157-A160 WeakPolarHBondContact O-CB 3.29Å; P157-A160 PolarHBondContact O-N 3.3Å; A160-P162 WeakPolarHBondContact O-CD 3.42Å
161E46.3Very low55Low163 Ų16399.3 Ų99.376%0.76257%0.565SS**  trans-87.6116.2-173.8-170.1163.7-119.100111.6M163E161-M163 PolarHBondContact O-N 3.36Å
162P43.3Very low52.2Low109 Ų109108.2 Ų108.271%0.70861%0.607SS**  trans-74.6112.1169.92.314.7000107.8A160 C164A160-P162 WeakPolarHBondContact O-CD 3.42Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 3.22Å
163M30.9Very low49.5Very low149 Ų149106 Ų10673%0.73461%0.612SS**  trans-68.686.8171.7-76.5-155.4-60.700110.7E161 L165E161-M163 PolarHBondContact O-N 3.36Å; M163-L165 HydrophobicContact CB-CG 4.32Å; M163-L165 HydrophobicContact CE-CD1 3.95Å; M163-L165 PolarHBondContact O-N 3.19Å; M163-L165 HydrophobicContact SD-CD1 3.64Å; M163-L165 HydrophobicContact SD-CG 4.06Å
164C32.2Very low47Very low123 Ų123106.4 Ų106.483%0.83161%0.61SS**  trans-67.359.7149.9-72.50000109.7P162 P166P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 3.22Å; C164-P166 WeakPolarHBondContact O-CD 3.45Å
165L29.2Very low44.5Very low116 Ų116112.7 Ų112.761%0.60764%0.641SS**  trans-69.8120.6162.3-87.4173.7000107.3M163 S167M163-L165 HydrophobicContact CB-CG 4.32Å; M163-L165 HydrophobicContact CE-CD1 3.95Å; M163-L165 PolarHBondContact O-N 3.19Å; M163-L165 HydrophobicContact SD-CD1 3.64Å; M163-L165 HydrophobicContact SD-CG 4.06Å; L165-S167 PolarHBondContact O-N 3.13Å
166P32.9Very low41.9Very low103 Ų103118.6 Ų118.667%0.66967%0.672SS**  trans-63.1114.6168.527.7-32.1000107.5C164 D168C164-P166 WeakPolarHBondContact O-CD 3.45Å; P166-D168 PolarHBondContact O-N 2.87Å
167S33.8Very low39.7Very low121 Ų121122.7 Ų122.785%0.84670%0.696SS**  trans-76.2105.8171.8-66.80000107.5L165L165-S167 PolarHBondContact O-N 3.13Å
168D30.1Very low37.7Very low152 Ų152123 Ų12381%0.81370%0.699SS**  trans-55.5147.4-168.7-89.7-50.4000114.5P166 K170P166-D168 PolarHBondContact O-N 2.87Å; D168-K170 PolarHBondContact O-N 3.2Å
169L36.5Very low35.8Very low170 Ų170127.5 Ų127.589%0.8971%0.711SS**  trans-62.2122.9-179.9-69.8164.8000112.1
170K31.7Very low34.1Very low209 Ų209133.3 Ų133.391%0.90975%0.748SS**  trans-153.6126.5146.9-108.1153.7-169.5171.90111.1D168D168-K170 PolarHBondContact O-N 3.2Å
171S30.8Very low33.1Very low116 Ų116137.5 Ų137.581%0.81176%0.762SS**  trans-68.4169.2175.9-35.60000111.4
172E29.2Very low32.2Very low188 Ų188135 Ų13588%0.87976%0.762SS**  cis-126.8-170.811.4-60.6-167.76800110.4
173S30.1Very low31.6Very low93 Ų93139.1 Ų139.165%0.6577%0.772SS**  cis-156.5146.912.758.50000114.2
174S34.5Very low31.5Very low99 Ų99136 Ų13669%0.69278%0.777SS**  trans31.2116.1148.767.40000120.9
175I32.7Very low31.6Very low158 Ų158140.3 Ų140.381%0.8178%0.782SS**  -179.3129.6100.7-88.6157.7000109.2
176D31.8Very low31.6Very low137 Ų137138.6 Ų138.673%0.73379%0.785SS**  trans-100.3144.5164.8168.946.2000108.8C178D176-C178 PolarHBondContact OD1-N 3.26Å
177P37.8Very low31.5Very low102 Ų102139.6 Ų139.666%0.66279%0.789SS**  trans-140.2126.2130.524.3-4.4000116.4
178C31.1Very low31.2Very low107 Ų107138.4 Ų138.472%0.72378%0.781SS**  trans91.265.2132.7-63.90000121.1D176D176-C178 PolarHBondContact OD1-N 3.26Å
179R29.4Very low31Very low201 Ų201137.7 Ų137.776%0.75878%0.777SS**  27.2111.7103.8-170.7-168.3-159.3-1319.8119.9M181R179-M181 VanDerWaalsContact NH2-CE 3.31Å
180T29.6Very low30.7Very low138 Ų138137.3 Ų137.385%0.84777%0.774SS**  trans-152.5120146.230.40000108.3
181M31.6Very low30.5Very low134 Ų134131.9 Ų131.966%0.6677%0.769SS**  8994.651.5-76.3-66.2-17600115.6R179R179-M181 VanDerWaalsContact NH2-CE 3.31Å
182S26.7Very low30.4Very low109 Ų109131.1 Ų131.176%0.76277%0.769SS**  trans178.794.8147.9-169.60000108.2
183E30.7Very low30.5Very low196 Ų196127.6 Ų127.692%0.91677%0.765SS**  71.8117.591.2-68.9-153.6132.700116.3
184G30.1Very low30.6Very low83 Ų83130.9 Ų130.986%0.85678%0.775SS**  trans174.4105.3176.900000113.5
185K32.9Very low30.2Very low215 Ų215134 Ų13494%0.93578%0.784SS**  trans-85.2163.3-179.2-128170.3176.9174.80110.4
186A29.4Very low30.1Very low80 Ų80134.2 Ų134.266%0.66178%0.781SS**  cis-158.8172.419.700000115.2
187T30.8Very low30.1Very low123 Ų123133.4 Ų133.476%0.75579%0.786SS**  trans-20.2156160.356.40000119
188S28.4Very low29.8Very low97 Ų97132.4 Ų132.468%0.67879%0.787SS**  cis-160.2155.440.8-49.70000116.4
189D26.1Very low29.9Very low136 Ų136134 Ų13473%0.72779%0.788SS**  trans25.7119.4138.2-49.7-25.7000120.4
190I29.3Very low30.1Very low162 Ų162130.6 Ų130.683%0.83179%0.789SS**  84107.266-67.6163.5000114.5
191A27.1Very low30.2Very low96 Ų96130.7 Ų130.779%0.79378%0.784SS**  trans147.7144.7148.900000110.2
192A29.1Very low30.1Very low100 Ų100130.2 Ų130.283%0.82679%0.793SS**  cis160.489.4-22.400000107
193S32.3Very low30.7Very low114 Ų114132 Ų13280%0.79779%0.791SS**  trans-152.511915441.20000105.1
194L30.9Very low30.8Very low162 Ų162128.4 Ų128.485%0.84879%0.785SS**  68.185.750.4-163.477.7000112.4
195D26Very low31.2Very low164 Ų164129.7 Ų129.788%0.87778%0.781SS**  -142.3165.2127.7-150.3-14.8000109
196E31.2Very low31.3Very low162 Ų162125.1 Ų125.176%0.75777%0.773SS**  trans-132.7128.9-153.8-177.1-178.3168.100113.7
197S31.1Very low31.5Very low120 Ų120129.5 Ų129.584%0.83979%0.785SS**  trans178.7150.9144.832.50000113.7
198A32.7Very low31.7Very low81 Ų81132.4 Ų132.467%0.66979%0.789SS**  trans-68.9143.317500000111.2
199N33.2Very low31.8Very low142 Ų142135.4 Ų135.476%0.75980%0.798SS**  56.979.753.9-16715.7000113.8
200V32.2Very low32.2Very low128 Ų128134.3 Ų134.378%0.77680%0.801SS**  trans-128.6122.4168.8-174.30000108.9C202V200-C202 PolarHBondContact O-N 2.79Å
201N33Very low32.9Very low140 Ų140132.9 Ų132.975%0.74980%0.802SS**  trans-70.7125.9177.6-62.6-63.3000110.5
202C29.2Very low33.3Very low125 Ų125133.8 Ų133.885%0.84580%0.802SS**  trans-98.6103.8175.2-160.50000110.4V200V200-C202 PolarHBondContact O-N 2.79Å
203M38.2Very low34Very low145 Ų145138.1 Ų138.171%0.71481%0.806SS**PPolyproline II helixtrans-82.4149.4168.9-72.7-73.8101.200110.4S205M203-S205 PolarHBondContact O-N 2.9Å
204P34.6Very low34.6Very low121 Ų121137.7 Ų137.779%0.78680%0.8SS**PPolyproline II helixtrans-68125.1175.428.3-33.9000110.9
205S36.9Very low34.8Very low111 Ų111135.6 Ų135.678%0.77680%0.799SS**PPolyproline II helixtrans-87.4146.1175-66.40000111.7M203M203-S205 PolarHBondContact O-N 2.9Å
206P36.6Very low35.4Very low119 Ų119138 Ų13877%0.77380%0.797SS**PPolyproline II helixtrans-69.1152.217529.8-35000112
207L33.1Very low35.7Very low172 Ų172135.1 Ų135.190%0.90179%0.793SS**PPolyproline II helixtrans-58.1132.9-177.9-67.1165.7000112.3
208Q33.7Very low36.1Very low183 Ų183134.4 Ų134.486%0.85579%0.788SS**  trans-107.1138.1163.9-67-166.82.700109.9
209N31.6Very low37Very low161 Ų161138.1 Ų138.186%0.86179%0.791SS**  trans-83.3123.7-178.3-66.8-18.5000111
210S34.6Very low37.5Very low112 Ų112137.8 Ų137.878%0.78379%0.788SS**  trans-109.2116.9169.4-66.50000110
211P44.3Very low38.2Very low133 Ų133139.9 Ų139.986%0.86479%0.79SS**  trans-94.5100.3-177.933.9-31.3000112.6
212S35.8Very low38.7Very low114 Ų114140.2 Ų140.280%0.79779%0.79SS**  trans-158.8132.6162.857.50000112.1
213E43Very low39.4Very low191 Ų191139.6 Ų139.689%0.89379%0.787SS**  trans-73.4175.9-175.4-70-179.7144.400114.2
214P44.1Very low39.9Very low105 Ų105136.9 Ų136.968%0.68279%0.788SS**  cis-128.4154.15.539.2-23.7000116.7
215S35.1Very low40.2Very low118 Ų118136 Ų13683%0.82578%0.782SS**PPolyproline II helixtrans-89.2134.2164.946.80000111.6
216Y39.2Very low40.5Very low215 Ų215137.6 Ų137.684%0.84379%0.787SS**PPolyproline II helixtrans-85.7159.3168.2-98.3-105.3000111.3
217P37.3Very low40.9Very low101 Ų101137.9 Ų137.966%0.65679%0.787SS**PPolyproline II helixtrans-86.2137.7-151.332.2-35.9000114.9H219P217-H219 PolarHBondContact O-N 3.39Å
218S39.8Very low41.5Very low105 Ų105137.3 Ų137.373%0.73478%0.783SS**  trans-86100.9163.855.70000110.6L220S218-L220 PolarHBondContact O-N 2.98Å
219H51Low41.8Very low160 Ų160133.6 Ų133.674%0.74178%0.778SS**  trans-71.882.3166.2-96.1-86.5000110.1P217P217-H219 PolarHBondContact O-N 3.39Å
220L45.1Very low42.2Very low134 Ų134135.5 Ų135.570%0.70278%0.778SS**  trans-122.895165.1-71175.9000107.8S218 I222S218-L220 PolarHBondContact O-N 2.98Å; L220-I222 HydrophobicContact CB-CG1 4.45Å; L220-I222 PolarHBondContact O-N 3.04Å
221E45.8Very low42.3Very low172 Ų172138.6 Ų138.680%0.80478%0.781SS**  trans-73.775.8174.6-69.4-178.6-170.800109.9S223E221-S223 PolarHBondContact O-N 2.85Å
222I43.4Very low41.9Very low147 Ų147135.2 Ų135.275%0.75477%0.77SS**  trans-74.6103.6169.4-58.1176.2000107.2L220 A224L220-I222 HydrophobicContact CB-CG1 4.45Å; L220-I222 PolarHBondContact O-N 3.04Å; I222-A224 PolarHBondContact O-N 3.28Å
223S43.9Very low41.8Very low113 Ų113137.7 Ų137.779%0.7977%0.774SS**  trans-53.7107.3176.6-51.30000111.1E221 P225E221-S223 PolarHBondContact O-N 2.85Å; S223-P225 WeakPolarHBondContact O-CD 2.87Å
224A48.1Very low41.6Very low88 Ų88137.9 Ų137.973%0.72777%0.772SS**  trans-66.6123.4178.600000110.2I222 T226I222-A224 PolarHBondContact O-N 3.28Å; A224-T226 PolarHBondContact O-N 3.29Å
225P41.6Very low41.2Very low103 Ų103137.5 Ų137.567%0.66978%0.778SS**  trans-70.1132.1176.628.5-33.6000110S223 T227S223-P225 WeakPolarHBondContact O-CD 2.87Å; P225-T227 PolarHBondContact O-N 2.99Å
226T43.2Very low41.5Very low144 Ų144138 Ų13888%0.88378%0.778SS**  trans-63.992-178-49.30000111.8A224A224-T226 PolarHBondContact O-N 3.29Å
227T44.6Very low41.1Very low124 Ų124131.9 Ų131.976%0.76177%0.772SS**PPolyproline II helixtrans-98.1119.8172.645.80000110.2P225 S229P225-T227 PolarHBondContact O-N 2.99Å; T227-S229 PolarHBondContact O-N 3.06Å
228I46.8Very low40.8Very low160 Ų160136.1 Ų136.182%0.82178%0.783SS**PPolyproline II helixtrans-68.8130.6177.4-64.5170.4000108.5F230I228-F230 PolarHBondContact O-N 3.39Å
229S38.7Very low40.3Very low106 Ų106136.5 Ų136.574%0.74179%0.786SS**PPolyproline II helixtrans-68.5119.6179.143.90000111T227 Q231T227-S229 PolarHBondContact O-N 3.06Å; S229-Q231 PolarHBondContact O-N 3.36Å; S229-Q231 VanDerWaalsContact O-N 3.12Å
230F40.8Very low39.3Very low200 Ų200134.7 Ų134.788%0.87779%0.791SS**  trans-78.795.9176.8-168.6-92000109.7I228 G232I228-F230 PolarHBondContact O-N 3.39Å; F230-G232 PolarHBondContact O-N 3Å
231Q37.3Very low38.5Very low178 Ų178131.9 Ų131.983%0.83280%0.795SS**  trans-75.7109.2177.3-173.6160.3-23.100109.7S229 D233S229-Q231 PolarHBondContact O-N 3.36Å; S229-Q231 VanDerWaalsContact O-N 3.12Å; Q231-D233 PolarHBondContact O-N 3.05Å
232G35.1Very low37.7Very low62 Ų62131.5 Ų131.564%0.63980%0.798SS**  trans-68.6114.8-178.700000112F230F230-G232 PolarHBondContact O-N 3Å
233D34.1Very low38.2Very low166 Ų166129.5 Ų129.589%0.88880%0.795SS**  trans-70.5146.4-176.8-113.3-32.3000113.3Q231Q231-D233 PolarHBondContact O-N 3.05Å
234K39.3Very low37.6Very low194 Ų194130.8 Ų130.884%0.84379%0.791SS**  trans-110.7119.2175.9-153.8177.2-171.11790107.8P236K234-P236 WeakPolarHBondContact O-CD 3.33Å
235A35.9Very low36.7Very low98 Ų98134 Ų13481%0.8180%0.796SS**  trans-53.7142.6-168.200000114.6
236P39.9Very low35.9Very low127 Ų127136.2 Ų136.283%0.82580%0.802SS**  -115.6-177.7123.436.3-33.2000111.3K234K234-P236 WeakPolarHBondContact O-CD 3.33Å
237A31.2Very low36.2Very low87 Ų87135 Ų13572%0.71980%0.797SS**  trans-110.2167.5-165.700000114.7
238E30.9Very low35.4Very low191 Ų191133.5 Ų133.589%0.89379%0.791SS**  trans78.3133.3155.4-71.8175.5-156.600122
239S30.1Very low34.6Very low113 Ų113132.2 Ų132.279%0.7979%0.785SS**  trans83.998.7147.8-150.90000121.6
240S30.3Very low34.1Very low121 Ų121134.7 Ų134.785%0.84678%0.784SS**  57.5113.9126.6-161.10000120.8
241G27.9Very low33.7Very low76 Ų76132.3 Ų132.378%0.78478%0.775SS**  trans168.493.3163.600000116.3
242N29.1Very low33.2Very low163 Ų163130.9 Ų130.987%0.87277%0.774SS**  trans-97.7168.3165.1-82.7-20000109.6
243P54.1Low33Very low105 Ų105136.8 Ų136.868%0.68278%0.782SS**  cis-139.3-160-34.332.4-9.4000112.9
244I30.2Very low33Very low140 Ų140134 Ų13472%0.71877%0.771SS**  trans68.2120.8157.2-10.4178.7000120.8
245L28.8Very low32.6Very low157 Ų157132.2 Ų132.282%0.82277%0.765SS**  167.7131.5108-89.4171.3000114.7
246N26.7Very low32.3Very low149 Ų149136 Ų13680%0.79777%0.766SS**  trans-90-175.8153.6-58.1-28000108.2
247P48.6Very low31.9Very low119 Ų119136 Ų13677%0.77376%0.764SS**  cis-136.9-161.8-333.5-9.4000113.9
248S27.3Very low33Very low92 Ų92137.3 Ų137.364%0.64377%0.765SS**  125.6109121.3-157.80000120.6
249I29.8Very low32.7Very low133 Ų133138 Ų13868%0.68277%0.768SS**  41.4119.2126.4-47.7168.6000121.2
250H28.8Very low32.8Very low157 Ų157140.5 Ų140.573%0.72777%0.767SS**  173.1135.1117.6-90-65.6000108
251E31.6Very low32.6Very low150 Ų150143 Ų14370%0.70177%0.769SS**  71.9112.356.6-77.4-165.1129.300116.6
252N28.5Very low32.6Very low149 Ų149146.5 Ų146.580%0.79777%0.765SS**  trans172.8140.4133.4-87.9-57.8000107.6
253K30.9Very low32.4Very low185 Ų185144.2 Ų144.280%0.80476%0.76SS**  63.8130.461.7-100.9-173.8179-179.30113.1
254T32.4Very low31Very low108 Ų108143.9 Ų143.966%0.66377%0.766SS**  cis-152.2-177.113.6-48.50000111.7
255E32.3Very low31Very low156 Ų156142.6 Ų142.673%0.72977%0.77SS**  trans-59.6152.8-178.6-50.9136.6128.500116.5
256H28.4Very low31.3Very low178 Ų178140.9 Ų140.982%0.82477%0.768SS**  -175.5-178.6102.8-121.1-93.4000113.5
257V32Very low31.5Very low127 Ų127141.9 Ų141.977%0.7777%0.768SS**  trans-111.7-167.6-166-1420000112.6
258P55.1Low30.7Very low115 Ų115144.7 Ų144.775%0.74777%0.771SS**  -112172.9-120.542.7-28000116.1
259E24.9Very low30.8Very low204 Ų204145.9 Ų145.995%0.95377%0.774SS**  trans-150.1178.2161.2-136.2169.9-139.500113.9
260Q30.3Very low30.9Very low166 Ų166145.2 Ų145.278%0.77678%0.782SS**  trans-137.2133-151.9169.6-166.683.800112.6
261I26.8Very low31Very low175 Ų175144 Ų14490%0.89779%0.785SS**  trans-137.6156.9172.2-62.6-174.6000111.2
262H28.1Very low30.7Very low148 Ų148140.2 Ų140.269%0.68579%0.787SS**  trans-134161-157.9-128.8-91.4000113.6
263C24.3Very low30.8Very low115 Ų115138.6 Ų138.678%0.77778%0.782SS**  trans70.2162.4161.9-58.30000117.5
264A26.1Very low30.7Very low98 Ų98134.6 Ų134.681%0.8178%0.777SS**  cis-147.1174.47.700000113.4
265S29Very low30.8Very low113 Ų113138.8 Ų138.879%0.7978%0.781SS**  trans-109.7168.3179.7-320000114
266P36.5Very low30.7Very low122 Ų122140 Ų14079%0.79278%0.784SS**  trans-130128.9135.434.5-23.3000111.4
267Q30.1Very low30.6Very low170 Ų170134.4 Ų134.479%0.79478%0.775SS**  77.6122.166.1-79.6-155.8400116.4
268H31.6Very low30.5Very low177 Ų177133.1 Ų133.182%0.81978%0.778SS**  trans-178.8107.1140.9-91-57.1000107.8
269T30.3Very low29.4Very low118 Ų118135.8 Ų135.872%0.72478%0.78SS**  60135.190.359.90000115
270S29.9Very low29.8Very low119 Ų119135.1 Ų135.183%0.83277%0.774SS**  cis-143.4-159.424.4-161.60000114.2
271T31.6Very low29.6Very low131 Ų131134.4 Ų134.480%0.80478%0.776SS**  trans-141.6146.4-152.6-55.60000115.4
272G26Very low29.9Very low71 Ų71134.3 Ų134.373%0.73278%0.775SS**  trans166.9152.7163.300000116.8
273T30.4Very low30Very low114 Ų114134.1 Ų134.170%0.69978%0.779SS**  176.4126.8-72.4-77.70000111.5
274S29Very low30.3Very low101 Ų101135.6 Ų135.671%0.70678%0.778SS**  trans68.5159156.7-75.90000120.2
275R34.8Very low30.5Very low196 Ų196138.9 Ų138.974%0.7478%0.777SS**  cis-166.8150.1-5.9-119167.465.8151.610113.1
276F29.1Very low30.3Very low181 Ų181142.1 Ų142.179%0.79478%0.779SS**  trans57.7154.9161.4-74-83.6000119.5
277G26.8Very low29.8Very low62 Ų62140.1 Ų140.164%0.63977%0.773SS**  cis171.8-174.6-4.400000113.8
278A30.3Very low29.6Very low99 Ų99136.6 Ų136.682%0.81877%0.767SS**  trans71.4149.1175.300000118
279E30.6Very low29.5Very low172 Ų172135.5 Ų135.580%0.80476%0.764SS**  cis-175.2134.8-33.3-131.7172.6-147.300110.7
280K33.2Very low29.5Very low190 Ų190140.1 Ų140.183%0.82677%0.768SS**  160.7145.8128.3-91.8175.9179.5178.20115.4
281D27.3Very low29.6Very low151 Ų151138.2 Ų138.281%0.80776%0.755SS**  trans-79-169.7173.8-39.6-95.8000111.4
282I31.9Very low29.4Very low172 Ų172138.4 Ų138.488%0.88275%0.751SS**  cis-145167.747.7-48.1176.6000110.5
283N30.3Very low29.8Very low144 Ų144143.2 Ų143.277%0.7775%0.754SS**  trans-123.6-176-168.3-169.812.3000112.4
284I32.1Very low29.6Very low146 Ų146143.2 Ų143.275%0.74976%0.759SS**  trans98.5166.7162.5-57.8170.1000117
285E28.6Very low29.9Very low168 Ų168142.7 Ų142.779%0.78576%0.761SS**  trans-113.3-177.8-137.7-53.6164.1105.300116.9
286E26.7Very low29.5Very low180 Ų180140 Ų14084%0.84177%0.766SS**  trans64.2116.9147.8-78.4-141.3115.900124.2
287A25Very low29.8Very low80 Ų80139.8 Ų139.866%0.66177%0.768SS**  82.7135.1118.200000124.4
288S26.6Very low30.4Very low97 Ų97141.4 Ų141.468%0.67877%0.767SS**  trans94.2122133.6-103.40000123.3
289M28.3Very low30.3Very low153 Ų153144.2 Ų144.275%0.75477%0.768SS**  trans68.9158.2146.8-53.8-70.9165.200117.1
290R30.8Very low30.2Very low216 Ų216145.8 Ų145.882%0.81577%0.772SS**  cis-167.7167.5-14.9-110.4177.8172.7-147.2-5.7107.2
291S32.4Very low30.2Very low78 Ų78141.5 Ų141.555%0.54576%0.763SS.*  cis-136.8-155.9-6.4-95.90000106.1
292N27.6Very low30.3Very low136 Ų136141.8 Ų141.873%0.72776%0.763SS**  cis-136.5141.514.5-69.216.6000107.7
293E33.1Very low30Very low171 Ų171139 Ų13980%0.79975%0.754SS**  64.113079.9-55.8-171.513900114.7
294S27.8Very low29.9Very low114 Ų114139.6 Ų139.680%0.79775%0.753SS**  cis-140.7150.633.8-60.20000117.4
295A33.5Very low29.5Very low91 Ų91139.7 Ų139.775%0.75276%0.76SS**  trans3.8154.515100000121.6
296T27.5Very low29.5Very low138 Ų138140 Ų14085%0.84776%0.759SS**  cis-154.7171.438.8-45.90000113.8
297Q34.9Very low29.5Very low177 Ų177136.6 Ų136.683%0.82776%0.755SS**  trans-108.5-157.8-168.9-62.5-172.8-11.800113.9
298P39.7Very low29.7Very low96 Ų96138.5 Ų138.562%0.62376%0.763SS**  -141-178.5-78.344-27.2000117.8
299L27.9Very low29.8Very low158 Ų158141 Ų14183%0.82777%0.768SS**  trans55.4125.7141.6-77.7160.5000123.4
300K29Very low30.2Very low206 Ų206139.4 Ų139.490%0.89677%0.769SS**  -175.1163.7111.8-103.9178.6-179.6-1790114.8
301P34.2Very low29.9Very low99 Ų99133.7 Ų133.764%0.64376%0.763SS**  trans-125.1162.6-171.942.6-29.8000117.6
302I28.1Very low29.8Very low158 Ų158134.3 Ų134.381%0.8177%0.773SS**  trans49.6131.9147-56.2158.9000120.5
303T26.6Very low29.9Very low113 Ų113133.3 Ų133.369%0.69377%0.771SS**  168.5123.6120.7-66.60000114.7
304Q27.6Very low29.9Very low157 Ų157132.3 Ų132.373%0.73477%0.766SS**  trans30.4148151.6-57.7173.731.600124.6
305T24.2Very low30.1Very low147 Ų147133.4 Ų133.490%0.90276%0.762SS**  -156.1158.6125.6-74.80000109.9
306K29Very low29.9Very low175 Ų175137.1 Ų137.176%0.76177%0.768SS**  trans-116.5153.8-174.4-49.9165.3-178.3172.80111.3
307S26.4Very low29.9Very low109 Ų109138 Ų13876%0.76277%0.767SS**  trans172.4121.6133.657.70000116.9
308S27.7Very low29.8Very low120 Ų120135.4 Ų135.484%0.83977%0.765SS**  trans46.2146.3136.857.60000126.2
309L29.4Very low29.1Very low148 Ų148136 Ų13678%0.77577%0.772SS**  trans-70161168.5-143.477.4000113.4
310P36.7Very low29.5Very low120 Ų120133.1 Ų133.178%0.77977%0.765SS**  -135.1166.481.933.9-18.1000112.9
311S24.9Very low29.7Very low97 Ų97129.1 Ų129.168%0.67876%0.76SS**  cis103.211818.2-161.20000115.7
312A29.2Very low29.4Very low91 Ų91128 Ų12875%0.75276%0.759SS**  trans65.6146.7168.800000117.5
313T30.3Very low29.5Very low114 Ų114127.3 Ų127.370%0.69976%0.756SS**  cis-150.7-159.74.5-5.90000109
314H33.5Very low29.7Very low151 Ų151130.2 Ų130.270%0.69976%0.759SS**  cis-155.6149.89-108.6-49.2000111.3
315I30.9Very low29.8Very low136 Ų136128.1 Ų128.170%0.69776%0.762SS**  trans49.2109.2141.6-51.4158.9000120.3
316L29.4Very low29.9Very low169 Ų169126.7 Ų126.789%0.88575%0.753SS**  -170.3147.8106.7-99.2-178.6000111.6
317L28.3Very low30Very low156 Ų156125.8 Ų125.882%0.81775%0.751SS**  trans-143.5134.6175.5-167.790.5000109.2
318P32.4Very low30.3Very low123 Ų123127.1 Ų127.180%0.79975%0.748SS**  -145166.7117.434.7-19.3000112.2
319S25.9Very low30.4Very low110 Ų110126 Ų12677%0.76974%0.741SS**  cis-158.9153.3-19.9-179.40000107
320S36.9Very low30.8Very low97 Ų97127.4 Ų127.468%0.67874%0.741SS**  trans-119.3156.8178.160.10000112.9
321P32Very low30.6Very low122 Ų122127.6 Ų127.679%0.79274%0.739SS**  trans-120125.5134.833.2-24.6000108.5
322A27.1Very low31.4Very low74 Ų74130 Ų13061%0.61274%0.744SS**  cis60.3128.936.400000110.7
323L31.7Very low31.7Very low145 Ų145133.8 Ų133.876%0.75975%0.747SS**  cis-154.3170.535.5-65.8164.2000108.1
324K30.1Very low32.2Very low173 Ų173137.7 Ų137.775%0.75276%0.757SS**  cis-160.3151.2-4.4-125.1162.5-179.9166.90107.8
325S29.4Very low32.4Very low113 Ų113138.7 Ų138.779%0.7976%0.762SS**  trans-107.4148.4158177.40000109.2
326T27.2Very low32.7Very low118 Ų118139.3 Ų139.372%0.72477%0.767SS**  trans-129.4100.1174.7-560000108.4
327H30.5Very low33.4Very low156 Ų156139.5 Ų139.572%0.72276%0.763SS**  trans-87129.1176.5-169.4-38.3000109.6
328I31.9Very low34.5Very low136 Ų136138 Ų13870%0.69775%0.752SS**  trans-121.7151.2168.5-69.1-179.2000108.3
329S31.1Very low35.8Very low98 Ų98135.6 Ų135.669%0.68573%0.73SS**  trans-26.3135.8-173.350.40000118.4
330K38.3Very low37.6Very low176 Ų176138 Ų13877%0.76573%0.729SS**  trans-54.3140.1158.3-65.4-173.9168.1-155.40111.6
331V32.3Very low39.5Very low124 Ų124135.3 Ų135.375%0.75271%0.707SS**  trans-121146.4137.9174.60000104.9E333V331-E333 PolarHBondContact O-N 3.32Å
332D40Very low42.2Very low147 Ų147133.4 Ų133.479%0.78669%0.689SS**  trans-74.897-179.2-52.2-70.5000109.7
333E36.6Very low45.3Very low172 Ų172130.6 Ų130.680%0.80466%0.664SS**  trans-93136.9157.9-69-175.2-17500107.7V331 E335V331-E333 PolarHBondContact O-N 3.32Å; E333-E335 VanDerWaalsContact C-N 3.32Å; E333-E335 PolarHBondContact O-N 3.39Å
334E40.6Very low48.2Very low195 Ų195125.4 Ų125.491%0.91163%0.634SS**  trans-72.491.6174.7-68.1178.4153.200107.9D336E334-D336 PolarHBondContact O-N 3.19Å
335E37.4Very low51.3Low173 Ų173117.3 Ų117.381%0.80860%0.599SS**  trans-63.188.7163.7-72.4-176.4175.700107.9E333 E337E333-E335 VanDerWaalsContact C-N 3.32Å; E333-E335 PolarHBondContact O-N 3.39Å; E335-E337 PolarHBondContact O-N 2.94Å
336D37Very low54.3Low148 Ų148111.9 Ų111.979%0.79156%0.561SS**  trans-49.797148.1-93.2-30.5000105.9E334 E338E334-D336 PolarHBondContact O-N 3.19Å; D336-E338 VanDerWaalsContact C-N 3.3Å; D336-E338 PolarHBondContact O-N 2.96Å
337E44.1Very low57.5Low174 Ų174106.3 Ų106.381%0.81353%0.527SS*.  trans-58.299.9168.3-70.2-174170.600106.1E335 E339E335-E337 PolarHBondContact O-N 2.94Å; E337-E339 PolarHBondContact O-N 3.32Å
338E52Low60.6Low123 Ų12398.9 Ų98.958%0.57549%0.493SS*.  trans-68.172.8176.5-76.6-163.5172.400108.5D336 E340 K501D336-E338 VanDerWaalsContact C-N 3.3Å; D336-E338 PolarHBondContact O-N 2.96Å; E338-E340 PolarHBondContact O-N 3.41Å; E338-K501 IonicContact OE1-NZ 3.5Å; E338-K501 PolarHBondContact OE1-NZ 3.48Å
339E59.3Low63.5Low73 Ų7392.7 Ų92.734%0.34146%0.461SS..  trans-46.3102.6-177.5-176.9-172.8-13700108.9E337 D341 R389E337-E339 PolarHBondContact O-N 3.32Å; E339-D341 PolarHBondContact O-N 3.46Å; E339-R389 IonicContact OE2-NE 2.63Å; E339-R389 IonicContact OE2-NH2 2.71Å
340E63.7Low66.4Low162 Ų16288.4 Ų88.476%0.75743%0.43SS*.  trans-61.1122.8-166.3-66.4-165.5136.900109.9E338 I342E338-E340 PolarHBondContact O-N 3.41Å; E340-I342 WeakPolarHBondContact O-CG1 3.48Å; E340-I342 PolarHBondContact O-N 2.7Å
341D77.1Confident68.8Low40 Ų4080 Ų8021%0.21439%0.394CS..  trans-47.6113.6173.6-91.6-42.6000109.5E339 N397 W486 Q490 R493E339-D341 PolarHBondContact O-N 3.46Å; D341-N397 PolarHBondContact OD1-ND2 3.27Å; D341-W486 HydrophobicContact CB-CZ2 3.99Å; D341-W486 WeakPolarHBondContact O-CH2 3.26Å; D341-W486 WeakPolarHBondContact O-CZ2 3.39Å; D341-Q490 VanDerWaalsContact CB-NE2 3.34Å; D341-Q490 VanDerWaalsContact CG-NE2 3.26Å; D341-Q490 PolarHBondContact OD2-NE2 2.97Å; D341-Q490 PolarHBondContact OD2-OE1 3.19Å; D341-R493 IonicContact OD1-NH1 3.56Å; D341-R493 IonicContact OD2-CZ 3.71Å; D341-R493 IonicContact OD2-NH1 4Å; D341-R493 PolarHBondContact OD2-NH1 3.06Å
342I88.5Confident71.4Confident81 Ų8176.1 Ų76.142%0.41537%0.371SS..PPolyproline II helixtrans-93.4128.6-176-55.4-173.9000110.6E340 Y344 A387E340-I342 WeakPolarHBondContact O-CG1 3.48Å; E340-I342 PolarHBondContact O-N 2.7Å; I342-Y344 HydrophobicContact CB-CE2 3.85Å; I342-Y344 HydrophobicContact CG2-CD1 4.49Å; I342-Y344 HydrophobicContact CG2-CE1 3.93Å; I342-Y344 HydrophobicContact CG2-CE2 3.96Å; I342-Y344 VanDerWaalsContact O-CD2 3.27Å; I342-Y344 WeakPolarHBondContact O-CD2 3.46Å; I342-Y344 WeakPolarHBondContact O-CE2 3.33Å; I342-A387 HydrophobicContact CD1-CB 3.96Å; I342-A387 HydrophobicContact CG1-CB 4.21Å
343F91.9Very high73.7Confident16 Ų1675.3 Ų75.37%0.0736%0.363CS..PPolyproline II helixtrans-86119.8173.7-175-87.1000113.6N397 A399 I479 Q482 R483 W486F343-N397 WeakPolarHBondContact CA-O 3.35Å; F343-A399 HydrophobicContact CE1-CB 4.26Å; F343-A399 HydrophobicContact CZ-CB 3.79Å; F343-I479 HydrophobicContact CE1-CG2 4.36Å; F343-Q482 HydrophobicContact CZ-CB 4.21Å; F343-R483 HydrophobicContact CD1-CB 4.1Å; F343-R483 HydrophobicContact CD1-CG 4.09Å; F343-R483 VanDerWaalsContact CD1-CZ 3.49Å; F343-R483 HydrophobicContact CE1-CB 3.72Å; F343-R483 HydrophobicContact CE1-CG 4.23Å; F343-R483 HydrophobicContact CE2-CB 4.48Å; F343-R483 HydrophobicContact CG-CG 4.43Å; F343-R483 HydrophobicContact CZ-CB 3.91Å; F343-R483 VanDerWaalsContact CZ-N 3.34Å; F343-W486 HydrophobicContact CB-CD2 3.92Å; F343-W486 HydrophobicContact CB-CE3 3.76Å; F343-W486 HydrophobicContact CB-CH2 3.8Å; F343-W486 HydrophobicContact CB-CZ2 3.9Å; F343-W486 HydrophobicContact CB-CZ3 3.73Å; F343-W486 HydrophobicContact CD2-CB 3.77Å; F343-W486 AromaticContact CD2-CD1 3.93Å; F343-W486 AromaticContact CD2-CD2 3.56Å; F343-W486 HydrophobicContact CD2-CD2 3.56Å; F343-W486 AromaticContact CD2-CE3 3.97Å; F343-W486 HydrophobicContact CD2-CE3 3.97Å; F343-W486 AromaticContact CD2-CG 3.49Å; F343-W486 HydrophobicContact CD2-CG 3.49Å; F343-W486 VanDerWaalsContact CD2-CG 3.49Å; F343-W486 HydrophobicContact CE2-CB 3.85Å; F343-W486 HydrophobicContact CE2-CG 4.04Å; F343-W486 HydrophobicContact CG-CD2 4.16Å; F343-W486 HydrophobicContact CG-CE3 4.18Å
344Y93.6Very high76.3Confident36 Ų3667.3 Ų67.314%0.14133%0.325CS..BIsolated β-bridgetrans-101.6146178.8-61.1-79.6000113I342 F346 A374 L388 N397 S398 A399I342-Y344 HydrophobicContact CB-CE2 3.85Å; I342-Y344 HydrophobicContact CG2-CD1 4.49Å; I342-Y344 HydrophobicContact CG2-CE1 3.93Å; I342-Y344 HydrophobicContact CG2-CE2 3.96Å; I342-Y344 VanDerWaalsContact O-CD2 3.27Å; I342-Y344 WeakPolarHBondContact O-CD2 3.46Å; I342-Y344 WeakPolarHBondContact O-CE2 3.33Å; Y344-F346 PolarHBondContact O-N 3.16Å; Y344-A374 HydrophobicContact CD1-CB 3.73Å; Y344-A374 HydrophobicContact CD2-CB 4.03Å; Y344-A374 HydrophobicContact CE1-CB 3.86Å; Y344-A374 HydrophobicContact CE2-CB 4.15Å; Y344-A374 HydrophobicContact CG-CB 3.82Å; Y344-L388 HydrophobicContact CD2-CD1 4.49Å; Y344-L388 HydrophobicContact CD2-CD2 4.24Å; Y344-L388 HydrophobicContact CE2-CD1 4.3Å; Y344-L388 HydrophobicContact CE2-CD2 3.9Å; Y344-L388 HydrophobicContact CE2-CG 4.1Å; Y344-N397 PolarHBondContact N-O 3.42Å; Y344-S398 WeakPolarHBondContact O-CA 3.46Å; Y344-A399 PolarHBondContact O-N 3.27Å
345A93.9Very high78.7Confident2 Ų260 Ų602%0.01730%0.295CS..SBendtrans-68.6-25.6174.300000112.7T371 T372 A399 I479A345-T371 WeakPolarHBondContact CB-OG1 3.41Å; A345-T372 VanDerWaalsContact CB-O 3.3Å; A345-T372 WeakPolarHBondContact CB-O 3.39Å; A345-T372 PolarHBondContact N-O 3.24Å; A345-A399 WeakPolarHBondContact O-CB 3.18Å; A345-I479 HydrophobicContact CB-CD1 4.42Å; A345-I479 HydrophobicContact CB-CG2 4.08Å
346F94.3Very high81.3Confident0 Ų058.4 Ų58.40%029%0.293CS..  trans-159.8159169.559.1-89.5000110.1Y344 I348 K362 L365 E366 I369 G373 A374 F400 F402Y344-F346 PolarHBondContact O-N 3.16Å; F346-I348 HydrophobicContact CD2-CG1 4.11Å; F346-I348 HydrophobicContact CE2-CD1 4.24Å; F346-I348 HydrophobicContact CE2-CG1 4.13Å; F346-K362 HydrophobicContact CE2-CB 4.45Å; F346-K362 HydrophobicContact CE2-CG 4.25Å; F346-K362 HydrophobicContact CZ-CG 4.31Å; F346-L365 HydrophobicContact CD2-CD1 4.11Å; F346-L365 HydrophobicContact CE1-CB 3.84Å; F346-L365 HydrophobicContact CE2-CB 3.87Å; F346-L365 HydrophobicContact CE2-CD1 3.71Å; F346-L365 HydrophobicContact CE2-CG 4.43Å; F346-L365 HydrophobicContact CZ-CB 3.37Å; F346-L365 HydrophobicContact CZ-CD1 4.13Å; F346-L365 HydrophobicContact CZ-CG 4.38Å; F346-E366 HydrophobicContact CE1-CG 4.19Å; F346-E366 HydrophobicContact CZ-CG 3.82Å; F346-I369 HydrophobicContact CD1-CD1 3.97Å; F346-I369 HydrophobicContact CE1-CD1 4.05Å; F346-G373 CarbonylContact O-C 3.57Å; F346-G373 WeakPolarHBondContact O-CA 3.4Å; F346-A374 PolarHBondContact O-N 2.9Å; F346-F400 CarbonylContact C-O 3.55Å; F346-F400 WeakPolarHBondContact CA-O 3.44Å; F346-F400 HydrophobicContact CB-CB 4.08Å; F346-F402 HydrophobicContact CB-CD2 3.92Å; F346-F402 HydrophobicContact CB-CE2 3.7Å; F346-F402 HydrophobicContact CD1-CE2 4.44Å; F346-F402 AromaticContact CD2-CD2 3.79Å; F346-F402 HydrophobicContact CD2-CD2 3.79Å; F346-F402 AromaticContact CD2-CE2 3.77Å; F346-F402 HydrophobicContact CD2-CE2 3.77Å; F346-F402 HydrophobicContact CG-CD2 4.07Å; F346-F402 AromaticContact CG-CE2 3.71Å; F346-F402 HydrophobicContact CG-CE2 3.71Å
347V94.3Very high84Confident0 Ų053.5 Ų53.50%027%0.268CS..EExtended strand (participates in β ladder)trans-119147.5162.671.50000110L349 A374 F376 L388 A394 S398 F400 T401 F402V347-L349 HydrophobicContact CG1-CD2 4.06Å; V347-L349 HydrophobicContact CG2-CD2 4.23Å; V347-A374 CarbonylContact C-O 3.53Å; V347-A374 VanDerWaalsContact CA-O 3.31Å; V347-A374 WeakPolarHBondContact CA-O 3.36Å; V347-A374 HydrophobicContact CG2-CB 4.08Å; V347-F376 HydrophobicContact CG2-CB 3.92Å; V347-L388 HydrophobicContact CG2-CD1 3.86Å; V347-A394 HydrophobicContact CG1-CB 4.36Å; V347-A394 WeakPolarHBondContact CG1-O 3.47Å; V347-A394 HydrophobicContact CG2-CB 4.26Å; V347-S398 WeakPolarHBondContact CG1-OG 3.41Å; V347-F400 PolarHBondContact N-O 3.29Å; V347-T401 HydrophobicContact CG1-CG2 3.97Å; V347-F402 PolarHBondContact O-N 3.35Å
348I94.4Very high86.4Confident0 Ų045.2 Ų45.20%023%0.229CC..EExtended strand (participates in β ladder)trans-107.1114169.5-52175.1000108.2F346 A358 M361 K362 L365 A374 T375 F376 F402 L404 L438F346-I348 HydrophobicContact CD2-CG1 4.11Å; F346-I348 HydrophobicContact CE2-CD1 4.24Å; F346-I348 HydrophobicContact CE2-CG1 4.13Å; I348-A358 WeakPolarHBondContact CD1-O 3.43Å; I348-A358 HydrophobicContact CG2-CB 4.39Å; I348-M361 HydrophobicContact CD1-CB 4.16Å; I348-K362 HydrophobicContact CD1-CB 3.84Å; I348-L365 HydrophobicContact CD1-CD1 3.8Å; I348-L365 HydrophobicContact CG1-CD1 4.2Å; I348-A374 PolarHBondContact N-O 3.31Å; I348-T375 HydrophobicContact CB-CG2 4.38Å; I348-T375 HydrophobicContact CD1-CG2 4.33Å; I348-F376 PolarHBondContact O-N 3.45Å; I348-F402 HydrophobicContact CB-CB 4.46Å; I348-F402 HydrophobicContact CG1-CB 4.22Å; I348-F402 HydrophobicContact CG1-CD2 4.22Å; I348-F402 HydrophobicContact CG2-CB 4.43Å; I348-L404 HydrophobicContact CG2-CB 3.86Å; I348-L438 HydrophobicContact CD1-CD2 4.48Å; I348-L438 HydrophobicContact CG2-CD2 4.32Å
349L92.7Very high88.4Confident6 Ų642.6 Ų42.63%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-85.4126169.1-50.9-172.6000108.6V347 F376 V391 A394 T401 F402 L403 L404 A421V347-L349 HydrophobicContact CG1-CD2 4.06Å; V347-L349 HydrophobicContact CG2-CD2 4.23Å; L349-F376 HydrophobicContact CD2-CB 4Å; L349-F376 HydrophobicContact CD2-CD1 3.93Å; L349-F376 HydrophobicContact CD2-CG 4.32Å; L349-V391 HydrophobicContact CD1-CG1 4.23Å; L349-A394 HydrophobicContact CD2-CB 4.13Å; L349-T401 HydrophobicContact CD1-CG2 3.73Å; L349-T401 HydrophobicContact CG-CG2 3.84Å; L349-F402 PolarHBondContact N-O 2.99Å; L349-L403 HydrophobicContact CB-CD2 4.15Å; L349-L403 HydrophobicContact CD1-CD2 3.84Å; L349-L403 HydrophobicContact CG-CD2 4.3Å; L349-L404 PolarHBondContact O-N 3.23Å; L349-A421 HydrophobicContact CD1-CB 4.34Å
350H91.6Very high90.1Very high8 Ų841.3 Ų41.34%0.03722%0.216CC..  trans-137.8166.6-177.562.198.8000112.4A358 F376 L404H350-A358 HydrophobicContact CB-CB 3.96Å; H350-A358 VanDerWaalsContact CD2-CB 3.4Å; H350-A358 WeakPolarHBondContact CD2-CB 3.34Å; H350-F376 PolarHBondContact CD2-O 2.84Å; H350-F376 PolarHBondContact N-O 3.11Å; H350-F376 VanDerWaalsContact N-O 3.15Å; H350-L404 HydrophobicContact CB-CB 4Å; H350-L404 HydrophobicContact CB-CD2 3.8Å
351A89.1Confident91.5Very high1 Ų133.6 Ų33.61%0.00818%0.18CC..  trans-75.4149.6166.300000109.6E353 D354 N408A351-E353 VanDerWaalsContact CB-OE2 3.3Å; A351-E353 WeakPolarHBondContact CB-OE2 3.38Å; A351-E353 PolarHBondContact O-N 3Å; A351-D354 PolarHBondContact O-N 3.34Å; A351-N408 HydrophobicContact CB-CB 4.09Å
352P86.8Confident92.4Very high42 Ų4233.5 Ų33.527%0.27318%0.177SC..G310 helixtrans-58.7-31.2-176.922.8-32.7000113D354 D379P352-D354 PolarHBondContact O-N 3.27Å; P352-D379 HydrophobicContact CB-CB 4.22Å
353E89.1Confident92.7Very high130 Ų13035.6 Ų35.661%0.60719%0.186SC*.G310 helixtrans-67.2-21.2177.7-5583.1176.300113.6A351 N408A351-E353 VanDerWaalsContact CB-OE2 3.3Å; A351-E353 WeakPolarHBondContact CB-OE2 3.38Å; A351-E353 PolarHBondContact O-N 3Å; E353-N408 HydrophobicContact CB-CB 4.39Å
354D90.9Very high92.8Very high4 Ų438 Ų382%0.02120%0.196CC..G310 helixtrans-98.916.1-175.6-59.2-51.6000113.4A351 P352 D356 V357 A358 L404 T406 N408 N443A351-D354 PolarHBondContact O-N 3.34Å; P352-D354 PolarHBondContact O-N 3.27Å; D354-D356 VanDerWaalsContact C-N 3.31Å; D354-D356 PolarHBondContact O-N 2.62Å; D354-V357 HydrophobicContact CB-CB 4.35Å; D354-V357 CarbonylContact O-C 3.37Å; D354-V357 WeakPolarHBondContact O-CA 3.43Å; D354-V357 WeakPolarHBondContact O-CB 3.12Å; D354-V357 PolarHBondContact O-N 2.91Å; D354-A358 PolarHBondContact O-N 3.06Å; D354-L404 HydrophobicContact CB-CD2 4.05Å; D354-T406 HydrophobicContact CB-CG2 4.14Å; D354-T406 VanDerWaalsContact OD2-CB 3.31Å; D354-T406 WeakPolarHBondContact OD2-CB 3.43Å; D354-T406 WeakPolarHBondContact OD2-CG2 3.26Å; D354-T406 PolarHBondContact OD2-OG1 3.29Å; D354-N408 PolarHBondContact OD1-ND2 3.34Å; D354-N443 PolarHBondContact OD1-ND2 3.41Å
355S90.5Very high92.7Very high40 Ų4036.3 Ų36.328%0.2819%0.189SC..Hα-helixtrans-52.2-44.3-174.3-1650000113.6V357 A358 E359S355-V357 VanDerWaalsContact C-N 3.33Å; S355-V357 PolarHBondContact O-N 3.3Å; S355-A358 PolarHBondContact O-N 3.01Å; S355-E359 PolarHBondContact O-N 3.33Å
356D92.2Very high92.8Very high141 Ų14138.7 Ų38.775%0.75420%0.2SC*.Hα-helixtrans-67.3-34.3178.6-59.6-29000112.2D354 S360D354-D356 VanDerWaalsContact C-N 3.31Å; D354-D356 PolarHBondContact O-N 2.62Å; D356-S360 VanDerWaalsContact O-CB 3.31Å; D356-S360 WeakPolarHBondContact O-CB 3.08Å; D356-S360 PolarHBondContact O-N 2.93Å
357V94.4Very high92.7Very high44 Ų4442.9 Ų42.927%0.26724%0.235SC..Hα-helixtrans-70.9-41176.1-172.70000109.9D354 S355 M361 L404 P440D354-V357 HydrophobicContact CB-CB 4.35Å; D354-V357 CarbonylContact O-C 3.37Å; D354-V357 WeakPolarHBondContact O-CA 3.43Å; D354-V357 WeakPolarHBondContact O-CB 3.12Å; D354-V357 PolarHBondContact O-N 2.91Å; S355-V357 VanDerWaalsContact C-N 3.33Å; S355-V357 PolarHBondContact O-N 3.3Å; V357-M361 HydrophobicContact CG1-CG 4.44Å; V357-M361 WeakPolarHBondContact O-CB 3.29Å; V357-M361 WeakPolarHBondContact O-CG 3.32Å; V357-M361 PolarHBondContact O-N 3.37Å; V357-L404 HydrophobicContact CB-CD2 4.28Å; V357-L404 HydrophobicContact CG1-CD2 4.16Å; V357-P440 HydrophobicContact CG1-CB 3.98Å; V357-P440 HydrophobicContact CG1-CG 4.28Å
358A93.9Very high92.4Very high0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-63.2-46177.700000111.4I348 H350 D354 S355 M361 K362 T375 L404I348-A358 WeakPolarHBondContact CD1-O 3.43Å; I348-A358 HydrophobicContact CG2-CB 4.39Å; H350-A358 HydrophobicContact CB-CB 3.96Å; H350-A358 VanDerWaalsContact CD2-CB 3.4Å; H350-A358 WeakPolarHBondContact CD2-CB 3.34Å; D354-A358 PolarHBondContact O-N 3.06Å; S355-A358 PolarHBondContact O-N 3.01Å; A358-M361 PolarHBondContact O-N 3.39Å; A358-K362 PolarHBondContact O-N 3.18Å; A358-T375 HydrophobicContact CB-CG2 3.77Å; A358-L404 HydrophobicContact CB-CD2 3.93Å
359E93.9Very high92Very high69 Ų6944.9 Ų44.932%0.32225%0.246SC..Hα-helixtrans-67.8-42.6178.6-163.263.1-162.700111.5S355 M361 K362 E363 T375S355-E359 PolarHBondContact O-N 3.33Å; E359-M361 VanDerWaalsContact C-N 3.27Å; E359-M361 PolarHBondContact O-N 3.47Å; E359-K362 WeakPolarHBondContact O-CB 3.14Å; E359-K362 PolarHBondContact O-N 2.88Å; E359-K362 VanDerWaalsContact O-N 3.11Å; E359-K362 IonicContact OE1-NZ 3.29Å; E359-K362 PolarHBondContact OE1-NZ 3.15Å; E359-K362 IonicContact OE2-NZ 3.33Å; E359-K362 PolarHBondContact OE2-NZ 2.94Å; E359-E363 PolarHBondContact O-N 3.12Å; E359-T375 WeakPolarHBondContact OE2-CG2 3.31Å; E359-T375 PolarHBondContact OE2-OG1 3.4Å
360S95.1Very high91.6Very high45 Ų4547.1 Ų47.132%0.31527%0.271SS..Hα-helixtrans-61.1-34.8172.9-1740000112.7D356 K364D356-S360 VanDerWaalsContact O-CB 3.31Å; D356-S360 WeakPolarHBondContact O-CB 3.08Å; D356-S360 PolarHBondContact O-N 2.93Å; S360-K364 WeakPolarHBondContact O-CD 3.42Å; S360-K364 WeakPolarHBondContact O-CE 3.31Å; S360-K364 VanDerWaalsContact O-CG 3.22Å; S360-K364 WeakPolarHBondContact O-CG 3.18Å; S360-K364 PolarHBondContact O-N 3.48Å; S360-K364 WeakPolarHBondContact OG-CE 3.18Å; S360-K364 PolarHBondContact OG-NZ 3.15Å
361M94.1Very high91.4Very high0 Ų048.6 Ų48.60%028%0.281CS..Hα-helixtrans-73.5-35174.2-70.5-59.4-72.700112.2I348 V357 A358 E359 K364 L365 L404 L438 P440 E462 F466I348-M361 HydrophobicContact CD1-CB 4.16Å; V357-M361 HydrophobicContact CG1-CG 4.44Å; V357-M361 WeakPolarHBondContact O-CB 3.29Å; V357-M361 WeakPolarHBondContact O-CG 3.32Å; V357-M361 PolarHBondContact O-N 3.37Å; A358-M361 PolarHBondContact O-N 3.39Å; E359-M361 VanDerWaalsContact C-N 3.27Å; E359-M361 PolarHBondContact O-N 3.47Å; M361-K364 PolarHBondContact O-N 3.09Å; M361-K364 HydrophobicContact SD-CD 3.83Å; M361-L365 WeakPolarHBondContact O-CB 3.42Å; M361-L365 WeakPolarHBondContact O-CD1 3.46Å; M361-L365 WeakPolarHBondContact O-CG 3.26Å; M361-L365 PolarHBondContact O-N 3.25Å; M361-L404 HydrophobicContact CG-CD1 4.15Å; M361-L438 HydrophobicContact CB-CD2 4.27Å; M361-L438 HydrophobicContact CE-CD1 3.7Å; M361-L438 HydrophobicContact CE-CD2 4.17Å; M361-L438 HydrophobicContact CE-CG 4.03Å; M361-P440 HydrophobicContact SD-CB 4.48Å; M361-E462 HydrophobicContact CE-CB 4.24Å; M361-E462 HydrophobicContact CE-CG 4.34Å; M361-E462 HydrophobicContact SD-CG 4.42Å; M361-F466 HydrophobicContact CE-CE2 3.69Å; M361-F466 HydrophobicContact CE-CZ 3.7Å
362K95.1Very high91.5Very high38 Ų3853.2 Ų53.217%0.16531%0.309CS..Hα-helixtrans-60-51.2171.7172.3-174.8154.1-150.90110.8F346 I348 A358 E359 K364 L365 E366 G373 T375F346-K362 HydrophobicContact CE2-CB 4.45Å; F346-K362 HydrophobicContact CE2-CG 4.25Å; F346-K362 HydrophobicContact CZ-CG 4.31Å; I348-K362 HydrophobicContact CD1-CB 3.84Å; A358-K362 PolarHBondContact O-N 3.18Å; E359-K362 WeakPolarHBondContact O-CB 3.14Å; E359-K362 PolarHBondContact O-N 2.88Å; E359-K362 VanDerWaalsContact O-N 3.11Å; E359-K362 IonicContact OE1-NZ 3.29Å; E359-K362 PolarHBondContact OE1-NZ 3.15Å; E359-K362 IonicContact OE2-NZ 3.33Å; E359-K362 PolarHBondContact OE2-NZ 2.94Å; K362-K364 VanDerWaalsContact C-N 3.3Å; K362-K364 PolarHBondContact O-N 3.23Å; K362-L365 WeakPolarHBondContact O-CB 3.33Å; K362-L365 PolarHBondContact O-N 3.16Å; K362-E366 VanDerWaalsContact CE-OE1 3.26Å; K362-E366 WeakPolarHBondContact CE-OE1 3.45Å; K362-E366 HydrophobicContact CG-CG 4.21Å; K362-E366 WeakPolarHBondContact O-CG 3.24Å; K362-E366 PolarHBondContact O-N 2.93Å; K362-G373 WeakPolarHBondContact CE-O 3.33Å; K362-T375 HydrophobicContact CB-CG2 4.15Å; K362-T375 HydrophobicContact CD-CG2 4.13Å
363E95.1Very high91.8Very high126 Ų12651.3 Ų51.359%0.58930%0.297SS*.Hα-helixtrans-53.2-46.4176.9-70.1-175.6152.900112.2E359 L365 E366 A367E359-E363 PolarHBondContact O-N 3.12Å; E363-L365 VanDerWaalsContact C-N 3.35Å; E363-L365 PolarHBondContact O-N 2.66Å; E363-E366 PolarHBondContact O-N 3.22Å; E363-A367 WeakPolarHBondContact O-CB 3.38Å; E363-A367 PolarHBondContact O-N 3.43Å
364K93.4Very high92Very high67 Ų6745.6 Ų45.629%0.29127%0.272SS..Hα-helixtrans-63.3-38.1177.1-65.5164.8-160.2170.50112.5S360 M361 K362 V368 E462 F466S360-K364 WeakPolarHBondContact O-CD 3.42Å; S360-K364 WeakPolarHBondContact O-CE 3.31Å; S360-K364 VanDerWaalsContact O-CG 3.22Å; S360-K364 WeakPolarHBondContact O-CG 3.18Å; S360-K364 PolarHBondContact O-N 3.48Å; S360-K364 WeakPolarHBondContact OG-CE 3.18Å; S360-K364 PolarHBondContact OG-NZ 3.15Å; M361-K364 PolarHBondContact O-N 3.09Å; M361-K364 HydrophobicContact SD-CD 3.83Å; K362-K364 VanDerWaalsContact C-N 3.3Å; K362-K364 PolarHBondContact O-N 3.23Å; K364-V368 VanDerWaalsContact O-CG2 3.25Å; K364-V368 WeakPolarHBondContact O-CG2 3.37Å; K364-V368 PolarHBondContact O-N 2.78Å; K364-E462 IonicContact NZ-OE1 2.66Å; K364-E462 PolarHBondContact NZ-OE1 3.34Å; K364-E462 IonicContact NZ-OE2 3.89Å; K364-F466 HydrophobicContact CB-CE1 4.15Å
365L93Very high92.1Very high0 Ų047.3 Ų47.30%028%0.282CS..Hα-helixtrans-70-44.7177.3-72.7165.3000111.5F346 I348 M361 K362 E363 A367 V368 I369 F402 L438 L460 F466 L470F346-L365 HydrophobicContact CD2-CD1 4.11Å; F346-L365 HydrophobicContact CE1-CB 3.84Å; F346-L365 HydrophobicContact CE2-CB 3.87Å; F346-L365 HydrophobicContact CE2-CD1 3.71Å; F346-L365 HydrophobicContact CE2-CG 4.43Å; F346-L365 HydrophobicContact CZ-CB 3.37Å; F346-L365 HydrophobicContact CZ-CD1 4.13Å; F346-L365 HydrophobicContact CZ-CG 4.38Å; I348-L365 HydrophobicContact CD1-CD1 3.8Å; I348-L365 HydrophobicContact CG1-CD1 4.2Å; M361-L365 WeakPolarHBondContact O-CB 3.42Å; M361-L365 WeakPolarHBondContact O-CD1 3.46Å; M361-L365 WeakPolarHBondContact O-CG 3.26Å; M361-L365 PolarHBondContact O-N 3.25Å; K362-L365 WeakPolarHBondContact O-CB 3.33Å; K362-L365 PolarHBondContact O-N 3.16Å; E363-L365 VanDerWaalsContact C-N 3.35Å; E363-L365 PolarHBondContact O-N 2.66Å; L365-A367 PolarHBondContact O-N 3.04Å; L365-V368 PolarHBondContact O-N 2.78Å; L365-I369 HydrophobicContact CD2-CD1 4.49Å; L365-I369 WeakPolarHBondContact O-CB 3.47Å; L365-I369 VanDerWaalsContact O-CG1 3.31Å; L365-I369 WeakPolarHBondContact O-CG1 3.29Å; L365-I369 PolarHBondContact O-N 3.16Å; L365-F402 HydrophobicContact CD1-CD2 3.83Å; L365-F402 HydrophobicContact CD1-CE2 3.54Å; L365-F402 HydrophobicContact CD1-CZ 4Å; L365-F402 HydrophobicContact CD2-CE1 4.35Å; L365-F402 HydrophobicContact CD2-CE2 3.86Å; L365-F402 HydrophobicContact CD2-CZ 3.55Å; L365-F402 HydrophobicContact CG-CE2 4.31Å; L365-F402 HydrophobicContact CG-CZ 4.43Å; L365-L438 HydrophobicContact CD1-CD2 4.3Å; L365-L460 HydrophobicContact CD2-CD2 4.38Å; L365-F466 HydrophobicContact CD2-CZ 4.04Å; L365-F466 HydrophobicContact CG-CZ 4.36Å; L365-L470 HydrophobicContact CD2-CD1 3.78Å; L365-L470 HydrophobicContact CD2-CD2 3.34Å; L365-L470 HydrophobicContact CD2-CG 4.19Å
366E94.1Very high92Very high52 Ų5245.8 Ų45.824%0.24327%0.271CS..Hα-helixtrans-62.3-41.4176.5-66.4-169.2171.100111.5F346 K362 E363 V368 G370 T372 G373F346-E366 HydrophobicContact CE1-CG 4.19Å; F346-E366 HydrophobicContact CZ-CG 3.82Å; K362-E366 VanDerWaalsContact CE-OE1 3.26Å; K362-E366 WeakPolarHBondContact CE-OE1 3.45Å; K362-E366 HydrophobicContact CG-CG 4.21Å; K362-E366 WeakPolarHBondContact O-CG 3.24Å; K362-E366 PolarHBondContact O-N 2.93Å; E363-E366 PolarHBondContact O-N 3.22Å; E366-V368 VanDerWaalsContact C-N 3.28Å; E366-V368 PolarHBondContact O-N 3.14Å; E366-G370 VanDerWaalsContact O-CA 3.22Å; E366-G370 WeakPolarHBondContact O-CA 3.37Å; E366-G370 PolarHBondContact O-N 2.93Å; E366-T372 WeakPolarHBondContact OE1-CA 3.46Å; E366-G373 PolarHBondContact OE1-N 3.24Å
367A92.3Very high91.8Very high88 Ų8839.2 Ų39.273%0.72724%0.236SC*.Hα-helixtrans-62.7-30.6175.800000113.7E363 L365E363-A367 WeakPolarHBondContact O-CB 3.38Å; E363-A367 PolarHBondContact O-N 3.43Å; L365-A367 PolarHBondContact O-N 3.04Å
368V88.8Confident90.7Very high31 Ų3139.3 Ų39.319%0.18824%0.235CC..Hα-helixtrans-89.8-37.4-177.9172.60000112.7K364 L365 E366 E467 L470 K471K364-V368 VanDerWaalsContact O-CG2 3.25Å; K364-V368 WeakPolarHBondContact O-CG2 3.37Å; K364-V368 PolarHBondContact O-N 2.78Å; L365-V368 PolarHBondContact O-N 2.78Å; E366-V368 VanDerWaalsContact C-N 3.28Å; E366-V368 PolarHBondContact O-N 3.14Å; V368-E467 HydrophobicContact CG2-CG 3.88Å; V368-L470 HydrophobicContact CB-CD1 4.09Å; V368-L470 HydrophobicContact CG1-CB 3.63Å; V368-L470 HydrophobicContact CG1-CD1 3.77Å; V368-L470 HydrophobicContact CG1-CG 4.32Å; V368-L470 HydrophobicContact CG2-CD1 4.35Å; V368-K471 HydrophobicContact CG1-CG 4.11Å
369I86.6Confident89.2Confident10 Ų1044.4 Ų44.45%0.05126%0.262CS..Hα-helixtrans-90.2-31.9-177.8-53.6167.5000110.6F346 L365 T371 L470 F474 K476 I479F346-I369 HydrophobicContact CD1-CD1 3.97Å; F346-I369 HydrophobicContact CE1-CD1 4.05Å; L365-I369 HydrophobicContact CD2-CD1 4.49Å; L365-I369 WeakPolarHBondContact O-CB 3.47Å; L365-I369 VanDerWaalsContact O-CG1 3.31Å; L365-I369 WeakPolarHBondContact O-CG1 3.29Å; L365-I369 PolarHBondContact O-N 3.16Å; I369-T371 HydrophobicContact CG2-CG2 4.45Å; I369-T371 WeakPolarHBondContact CG2-OG1 3.49Å; I369-L470 HydrophobicContact CD1-CD2 4.33Å; I369-F474 HydrophobicContact CD1-CB 4.27Å; I369-F474 HydrophobicContact CD1-CD1 3.77Å; I369-F474 HydrophobicContact CD1-CE1 4.37Å; I369-F474 HydrophobicContact CD1-CG 4.03Å; I369-F474 HydrophobicContact CG1-CB 4.27Å; I369-F474 HydrophobicContact CG1-CG 4.5Å; I369-K476 WeakPolarHBondContact O-CE 3.48Å; I369-K476 PolarHBondContact O-NZ 2.88Å; I369-I479 HydrophobicContact CG2-CD1 3.93Å
370G84.6Confident87.3Confident53 Ų5345.9 Ų45.955%0.54627%0.267SS..  trans69.842.9-175.800000112.6E366E366-G370 VanDerWaalsContact O-CA 3.22Å; E366-G370 WeakPolarHBondContact O-CA 3.37Å; E366-G370 PolarHBondContact O-N 2.93Å
371T87.3Confident85.3Confident40 Ų4046.9 Ų46.925%0.24528%0.279CS..SBendtrans-155.8137179.154.70000110.2A345 I369A345-T371 WeakPolarHBondContact CB-OG1 3.41Å; I369-T371 HydrophobicContact CG2-CG2 4.45Å; I369-T371 WeakPolarHBondContact CG2-OG1 3.49Å
372T91.2Very high83.4Confident98 Ų9850.6 Ų50.660%0.60130%0.298SS*.  trans-61.5138.4-179.5-46.80000113.6A345 E366A345-T372 VanDerWaalsContact CB-O 3.3Å; A345-T372 WeakPolarHBondContact CB-O 3.39Å; A345-T372 PolarHBondContact N-O 3.24Å; E366-T372 WeakPolarHBondContact OE1-CA 3.46Å
373G92.4Very high81.4Confident2 Ų254.6 Ų54.62%0.02133%0.327CS..  trans-123.7-175.2170.100000112.4F346 K362 E366F346-G373 CarbonylContact O-C 3.57Å; F346-G373 WeakPolarHBondContact O-CA 3.4Å; K362-G373 WeakPolarHBondContact CE-O 3.33Å; E366-G373 PolarHBondContact OE1-N 3.24Å
374A92.9Very high79.5Confident9 Ų952 Ų527%0.07434%0.335CS..EExtended strand (participates in β ladder)trans-130.2158.9178.500000112.1Y344 F346 V347 I348 L388Y344-A374 HydrophobicContact CD1-CB 3.73Å; Y344-A374 HydrophobicContact CD2-CB 4.03Å; Y344-A374 HydrophobicContact CE1-CB 3.86Å; Y344-A374 HydrophobicContact CE2-CB 4.15Å; Y344-A374 HydrophobicContact CG-CB 3.82Å; F346-A374 PolarHBondContact O-N 2.9Å; V347-A374 CarbonylContact C-O 3.53Å; V347-A374 VanDerWaalsContact CA-O 3.31Å; V347-A374 WeakPolarHBondContact CA-O 3.36Å; V347-A374 HydrophobicContact CG2-CB 4.08Å; I348-A374 PolarHBondContact N-O 3.31Å; A374-L388 HydrophobicContact CB-CD1 3.97Å
375T92.7Very high77.4Confident41 Ų4156.5 Ų56.525%0.25236%0.355SS..EExtended strand (participates in β ladder)trans-109.8143.4167.8350000108I348 A358 E359 K362I348-T375 HydrophobicContact CB-CG2 4.38Å; I348-T375 HydrophobicContact CD1-CG2 4.33Å; A358-T375 HydrophobicContact CB-CG2 3.77Å; E359-T375 WeakPolarHBondContact OE2-CG2 3.31Å; E359-T375 PolarHBondContact OE2-OG1 3.4Å; K362-T375 HydrophobicContact CB-CG2 4.15Å; K362-T375 HydrophobicContact CD-CG2 4.13Å
376F89.7Confident75.7Confident8 Ų857.9 Ų57.94%0.03536%0.364CS..EExtended strand (participates in β ladder)trans-145.1130.3178.8-177.7-88.3000112.6V347 I348 L349 H350 D378 L388 V391 A394V347-F376 HydrophobicContact CG2-CB 3.92Å; I348-F376 PolarHBondContact O-N 3.45Å; L349-F376 HydrophobicContact CD2-CB 4Å; L349-F376 HydrophobicContact CD2-CD1 3.93Å; L349-F376 HydrophobicContact CD2-CG 4.32Å; H350-F376 PolarHBondContact CD2-O 2.84Å; H350-F376 PolarHBondContact N-O 3.11Å; H350-F376 VanDerWaalsContact N-O 3.15Å; F376-D378 WeakPolarHBondContact CE1-OD1 3.49Å; F376-L388 HydrophobicContact CB-CD1 4.46Å; F376-L388 HydrophobicContact CD2-CB 3.82Å; F376-L388 HydrophobicContact CD2-CD1 4.44Å; F376-L388 HydrophobicContact CE2-CB 4.2Å; F376-L388 WeakPolarHBondContact CE2-O 3.41Å; F376-V391 HydrophobicContact CE1-CG2 3.78Å; F376-V391 HydrophobicContact CZ-CG2 4.41Å; F376-A394 HydrophobicContact CB-CB 4.48Å; F376-A394 HydrophobicContact CD2-CB 4.44Å; F376-A394 HydrophobicContact CG-CB 4.2Å
377S86.6Confident74.3Confident2 Ų256.4 Ų56.41%0.01436%0.361CS..  trans-140.7144.1165.8164.60000107.6D379 F380S377-D379 PolarHBondContact O-N 2.79Å; S377-F380 PolarHBondContact O-N 2.65Å
378D71.2Confident73.5Confident46 Ų4652.4 Ų52.425%0.24633%0.327CS..G310 helixtrans-59.2-35.1-175.1-78.60.5000112.2F376 F380 A381 K417F376-D378 WeakPolarHBondContact CE1-OD1 3.49Å; D378-F380 PolarHBondContact O-N 2.95Å; D378-A381 WeakPolarHBondContact O-CB 3.34Å; D378-A381 PolarHBondContact O-N 2.94Å; D378-K417 WeakPolarHBondContact OD1-CE 3.26Å; D378-K417 IonicContact OD1-NZ 3.74Å; D378-K417 PolarHBondContact OD1-NZ 2.89Å; D378-K417 WeakPolarHBondContact OD2-CE 3.38Å; D378-K417 IonicContact OD2-NZ 2.74Å; D378-K417 PolarHBondContact OD2-NZ 3.5Å
379D63.6Low72.9Confident108 Ų10858.1 Ų58.158%0.57835%0.345SS*.G310 helixtrans-66-10.6-173.1-59.827.5000112.2P352 S377P352-D379 HydrophobicContact CB-CB 4.22Å; S377-D379 PolarHBondContact O-N 2.79Å
380F52.6Low72.7Confident99 Ų9960 Ų6043%0.43436%0.359SS..G310 helixtrans-95.313.3170.3-62.6-73000114.3S377 D378 I382S377-F380 PolarHBondContact O-N 2.65Å; D378-F380 PolarHBondContact O-N 2.95Å; F380-I382 PolarHBondContact O-N 3.03Å
381A54.4Low72.8Confident67 Ų6758.1 Ų58.155%0.55434%0.337SS*.  trans-69.240.4167.500000113.2D378D378-A381 WeakPolarHBondContact O-CB 3.34Å; D378-A381 PolarHBondContact O-N 2.94Å
382I54.8Low72.8Confident77 Ų7761.1 Ų61.140%0.39535%0.348SS..  trans-78123.7169.9-58.2169.7000106.8F380 G384 K385F380-I382 PolarHBondContact O-N 3.03Å; I382-G384 PolarHBondContact O-N 3.17Å; I382-K385 HydrophobicContact CB-CB 4.36Å; I382-K385 HydrophobicContact CB-CD 4.1Å; I382-K385 HydrophobicContact CB-CG 4.41Å; I382-K385 HydrophobicContact CD1-CD 4.21Å; I382-K385 HydrophobicContact CG2-CD 3.88Å; I382-K385 HydrophobicContact CG2-CG 4.2Å; I382-K385 PolarHBondContact O-N 3.05Å
383P53.1Low72.7Confident122 Ų12257.5 Ų57.579%0.79233%0.325SS*.THydrogen-bonded Turntrans-52.3136.4177.7-28.535.9000112.5K385P383-K385 PolarHBondContact O-N 3.34Å
384G53.4Low72.6Confident73 Ų7357.4 Ų57.475%0.75332%0.324SS*.THydrogen-bonded Turntrans71.819.8-179.700000115.6I382I382-G384 PolarHBondContact O-N 3.17Å
385K49.8Very low72.5Confident160 Ų16057 Ų5770%0.69632%0.321SS*.SBendtrans-127.5-11.2175.2-66.4-167.7-179.3179.60115.9I382 P383I382-K385 HydrophobicContact CB-CB 4.36Å; I382-K385 HydrophobicContact CB-CD 4.1Å; I382-K385 HydrophobicContact CB-CG 4.41Å; I382-K385 HydrophobicContact CD1-CD 4.21Å; I382-K385 HydrophobicContact CG2-CD 3.88Å; I382-K385 HydrophobicContact CG2-CG 4.2Å; I382-K385 PolarHBondContact O-N 3.05Å; P383-K385 PolarHBondContact O-N 3.34Å
386S58.4Low72.3Confident29 Ų2957 Ų5720%0.20332%0.319CS..  trans-139.3111.2-176.6-178.70000111.4L388S386-L388 PolarHBondContact O-N 3.07Å; S386-L388 PolarHBondContact OG-N 3.2Å; S386-L388 PolarHBondContact OG-O 3.22Å
387A63.6Low72.4Confident21 Ų2156.7 Ų56.717%0.17432%0.318CS..SBendtrans-65.50.1170.300000113.6I342I342-A387 HydrophobicContact CD1-CB 3.96Å; I342-A387 HydrophobicContact CG1-CB 4.21Å
388L76.3Confident72.7Confident5 Ų556.6 Ų56.63%0.02632%0.318CS..  trans-115.5109.8170.7-61.6179000108.1Y344 V347 A374 F376 S386 A394 N397Y344-L388 HydrophobicContact CD2-CD1 4.49Å; Y344-L388 HydrophobicContact CD2-CD2 4.24Å; Y344-L388 HydrophobicContact CE2-CD1 4.3Å; Y344-L388 HydrophobicContact CE2-CD2 3.9Å; Y344-L388 HydrophobicContact CE2-CG 4.1Å; V347-L388 HydrophobicContact CG2-CD1 3.86Å; A374-L388 HydrophobicContact CB-CD1 3.97Å; F376-L388 HydrophobicContact CB-CD1 4.46Å; F376-L388 HydrophobicContact CD2-CB 3.82Å; F376-L388 HydrophobicContact CD2-CD1 4.44Å; F376-L388 HydrophobicContact CE2-CB 4.2Å; F376-L388 WeakPolarHBondContact CE2-O 3.41Å; S386-L388 PolarHBondContact O-N 3.07Å; S386-L388 PolarHBondContact OG-N 3.2Å; S386-L388 PolarHBondContact OG-O 3.22Å; L388-A394 HydrophobicContact CB-CB 4.46Å; L388-A394 HydrophobicContact CD1-CB 3.91Å; L388-N397 HydrophobicContact CD2-CB 4.1Å
389R76.4Confident73.7Confident150 Ų15054.4 Ų54.457%0.56631%0.306SS*.  trans-83.8-27.2-171.8-59.6177.5-177.8173.24.3113E339E339-R389 IonicContact OE2-NE 2.63Å; E339-R389 IonicContact OE2-NH2 2.71Å
390C81.8Confident75.2Confident51 Ų5149.3 Ų49.335%0.34528%0.278SS..SBendtrans-152.9172.9174.673.60000112.1E392 D393 A394C390-E392 PolarHBondContact O-N 3.33Å; C390-E392 PolarHBondContact SG-N 2.71Å; C390-D393 PolarHBondContact O-N 2.77Å; C390-D393 PolarHBondContact SG-N 2.69Å; C390-D393 VanDerWaalsContact SG-N 3.39Å; C390-D393 PolarHBondContact SG-OD2 3.47Å; C390-A394 PolarHBondContact O-N 3.32Å
391V86.4Confident77.2Confident12 Ų1244.6 Ų44.67%0.07326%0.258CS..Hα-helixtrans-55.8-37.7176.4-175.40000112.2L349 F376 A394 V395 K417 I420L349-V391 HydrophobicContact CD1-CG1 4.23Å; F376-V391 HydrophobicContact CE1-CG2 3.78Å; F376-V391 HydrophobicContact CZ-CG2 4.41Å; V391-A394 WeakPolarHBondContact O-CB 3.47Å; V391-A394 PolarHBondContact O-N 3.47Å; V391-V395 WeakPolarHBondContact O-CG2 3.32Å; V391-V395 PolarHBondContact O-N 3.38Å; V391-V395 VanDerWaalsContact O-N 3.07Å; V391-K417 HydrophobicContact CG1-CB 4.25Å; V391-K417 HydrophobicContact CG1-CG 4.16Å; V391-K417 HydrophobicContact CG2-CD 4.26Å; V391-K417 HydrophobicContact CG2-CG 3.7Å; V391-I420 HydrophobicContact CG1-CB 4.47Å; V391-I420 HydrophobicContact CG1-CG2 4.13Å
392E88.3Confident79.1Confident103 Ų10341.4 Ų41.448%0.48123%0.232SC..Hα-helixtrans-72.4-41.5179.4177.7163-174.700111.7C390 A394 V395 N396C390-E392 PolarHBondContact O-N 3.33Å; C390-E392 PolarHBondContact SG-N 2.71Å; E392-A394 VanDerWaalsContact C-N 3.31Å; E392-A394 PolarHBondContact O-N 3.13Å; E392-V395 PolarHBondContact O-N 3.03Å; E392-N396 VanDerWaalsContact CG-ND2 3.27Å; E392-N396 WeakPolarHBondContact CG-ND2 3.23Å; E392-N396 VanDerWaalsContact O-CB 3.27Å; E392-N396 WeakPolarHBondContact O-CB 3.46Å; E392-N396 PolarHBondContact O-N 3.47Å; E392-N396 PolarHBondContact O-ND2 3.19Å
393D88.1Confident80.9Confident22 Ų2237.8 Ų37.812%0.11821%0.213CC..Hα-helixtrans-62.9-38.3171.7-63.9-53.8000110.9C390 V395 N396 N397 R493C390-D393 PolarHBondContact O-N 2.77Å; C390-D393 PolarHBondContact SG-N 2.69Å; C390-D393 VanDerWaalsContact SG-N 3.39Å; C390-D393 PolarHBondContact SG-OD2 3.47Å; D393-V395 VanDerWaalsContact C-N 3.33Å; D393-V395 PolarHBondContact O-N 2.85Å; D393-N396 PolarHBondContact O-N 3.06Å; D393-N397 WeakPolarHBondContact O-CB 3.38Å; D393-N397 PolarHBondContact O-N 3.09Å; D393-R493 IonicContact OD1-NH1 2.71Å; D393-R493 IonicContact OD1-NH2 3.15Å
394A89.6Confident82.9Confident0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-59-41173.900000112.8V347 L349 F376 L388 C390 V391 E392 S398V347-A394 HydrophobicContact CG1-CB 4.36Å; V347-A394 WeakPolarHBondContact CG1-O 3.47Å; V347-A394 HydrophobicContact CG2-CB 4.26Å; L349-A394 HydrophobicContact CD2-CB 4.13Å; F376-A394 HydrophobicContact CB-CB 4.48Å; F376-A394 HydrophobicContact CD2-CB 4.44Å; F376-A394 HydrophobicContact CG-CB 4.2Å; L388-A394 HydrophobicContact CB-CB 4.46Å; L388-A394 HydrophobicContact CD1-CB 3.91Å; C390-A394 PolarHBondContact O-N 3.32Å; V391-A394 WeakPolarHBondContact O-CB 3.47Å; V391-A394 PolarHBondContact O-N 3.47Å; E392-A394 VanDerWaalsContact C-N 3.31Å; E392-A394 PolarHBondContact O-N 3.13Å; A394-S398 WeakPolarHBondContact O-CB 3.3Å; A394-S398 PolarHBondContact O-OG 2.99Å
395V90.8Very high84.8Confident0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-75.3-37.7175.9176.70000111.6V391 E392 D393 S398 T401 A421 N424 K431V391-V395 WeakPolarHBondContact O-CG2 3.32Å; V391-V395 PolarHBondContact O-N 3.38Å; V391-V395 VanDerWaalsContact O-N 3.07Å; E392-V395 PolarHBondContact O-N 3.03Å; D393-V395 VanDerWaalsContact C-N 3.33Å; D393-V395 PolarHBondContact O-N 2.85Å; V395-S398 PolarHBondContact O-OG 3.39Å; V395-T401 HydrophobicContact CG2-CG2 3.99Å; V395-A421 HydrophobicContact CG2-CB 3.84Å; V395-N424 HydrophobicContact CG1-CB 3.99Å; V395-K431 PolarHBondContact O-NZ 3.49Å
396N89.9Confident86.8Confident42 Ų4220.9 Ų20.923%0.22511%0.106CC..Hα-helixtrans-74.1-40.5-178.2-73-20.8000112.6E392 D393 S398 N424 K431E392-N396 VanDerWaalsContact CG-ND2 3.27Å; E392-N396 WeakPolarHBondContact CG-ND2 3.23Å; E392-N396 VanDerWaalsContact O-CB 3.27Å; E392-N396 WeakPolarHBondContact O-CB 3.46Å; E392-N396 PolarHBondContact O-N 3.47Å; E392-N396 PolarHBondContact O-ND2 3.19Å; D393-N396 PolarHBondContact O-N 3.06Å; N396-S398 VanDerWaalsContact C-N 3.31Å; N396-S398 PolarHBondContact O-N 2.83Å; N396-N424 PolarHBondContact OD1-ND2 3.04Å; N396-K431 VanDerWaalsContact C-NZ 3.34Å; N396-K431 PolarHBondContact O-NZ 2.83Å
397N91.1Very high88.4Confident1 Ų126.4 Ų26.41%0.00512%0.122CC..THydrogen-bonded Turntrans-855.3-179.6-67-13.5000113.9D341 F343 Y344 L388 D393 W486D341-N397 PolarHBondContact OD1-ND2 3.27Å; F343-N397 WeakPolarHBondContact CA-O 3.35Å; Y344-N397 PolarHBondContact N-O 3.42Å; L388-N397 HydrophobicContact CD2-CB 4.1Å; D393-N397 WeakPolarHBondContact O-CB 3.38Å; D393-N397 PolarHBondContact O-N 3.09Å; N397-W486 PolarHBondContact OD1-NE1 3.43Å
398S92.8Very high89.5Confident1 Ų127.9 Ų27.91%0.00713%0.128CC..BIsolated β-bridgetrans-116.5151.3175.561.60000113.8Y344 V347 A394 V395 N396 F400 K431Y344-S398 WeakPolarHBondContact O-CA 3.46Å; V347-S398 WeakPolarHBondContact CG1-OG 3.41Å; A394-S398 WeakPolarHBondContact O-CB 3.3Å; A394-S398 PolarHBondContact O-OG 2.99Å; V395-S398 PolarHBondContact O-OG 3.39Å; N396-S398 VanDerWaalsContact C-N 3.31Å; N396-S398 PolarHBondContact O-N 2.83Å; S398-F400 PolarHBondContact OG-O 2.97Å; S398-K431 PolarHBondContact O-NZ 3.5Å
399A93.7Very high89.7Confident0 Ų028.4 Ų28.40%013%0.13CC..SBendtrans-75-34.717100000112.5F343 Y344 A345 T434 I479 Q482F343-A399 HydrophobicContact CE1-CB 4.26Å; F343-A399 HydrophobicContact CZ-CB 3.79Å; Y344-A399 PolarHBondContact O-N 3.27Å; A345-A399 WeakPolarHBondContact O-CB 3.18Å; A399-T434 WeakPolarHBondContact O-CG2 3.3Å; A399-I479 HydrophobicContact CB-CB 4.33Å; A399-I479 HydrophobicContact CB-CG1 4.34Å; A399-I479 HydrophobicContact CB-CG2 3.99Å; A399-Q482 HydrophobicContact CB-CB 4.2Å; A399-Q482 PolarHBondContact O-NE2 3.38Å; A399-Q482 PolarHBondContact O-OE1 2.94Å
400F93.4Very high89.5Confident0 Ų027.4 Ų27.40%014%0.136CC..  trans-136.3148.6-179.1-72-90.3000111.7F346 V347 S398 I436 F474 R478 I479F346-F400 CarbonylContact C-O 3.55Å; F346-F400 WeakPolarHBondContact CA-O 3.44Å; F346-F400 HydrophobicContact CB-CB 4.08Å; V347-F400 PolarHBondContact N-O 3.29Å; S398-F400 PolarHBondContact OG-O 2.97Å; F400-I436 HydrophobicContact CD1-CD1 3.72Å; F400-I436 HydrophobicContact CE1-CD1 4.07Å; F400-F474 HydrophobicContact CB-CE1 3.67Å; F400-F474 HydrophobicContact CB-CZ 4.35Å; F400-F474 HydrophobicContact CD1-CD1 4.33Å; F400-F474 AromaticContact CD1-CE1 3.68Å; F400-F474 HydrophobicContact CD1-CE1 3.68Å; F400-F474 AromaticContact CD1-CZ 3.97Å; F400-F474 HydrophobicContact CD1-CZ 3.97Å; F400-F474 AromaticContact CD2-CD1 3.66Å; F400-F474 HydrophobicContact CD2-CD1 3.66Å; F400-F474 AromaticContact CD2-CE1 3.58Å; F400-F474 HydrophobicContact CD2-CE1 3.58Å; F400-F474 HydrophobicContact CE1-CD1 4.39Å; F400-F474 HydrophobicContact CE1-CE1 4.11Å; F400-F474 HydrophobicContact CE1-CZ 4.35Å; F400-F474 AromaticContact CE2-CD1 3.76Å; F400-F474 HydrophobicContact CE2-CD1 3.76Å; F400-F474 HydrophobicContact CE2-CE1 4.04Å; F400-F474 AromaticContact CG-CD1 3.96Å; F400-F474 HydrophobicContact CG-CD1 3.96Å; F400-F474 AromaticContact CG-CE1 3.37Å; F400-F474 HydrophobicContact CG-CE1 3.37Å; F400-F474 HydrophobicContact CG-CZ 4.1Å; F400-F474 HydrophobicContact CZ-CD1 4.11Å; F400-F474 HydrophobicContact CZ-CE1 4.27Å; F400-R478 HydrophobicContact CZ-CG 4.31Å; F400-I479 HydrophobicContact CD2-CG1 4.24Å; F400-I479 HydrophobicContact CE2-CG1 3.83Å
401T94.3Very high89.1Confident1 Ų127.8 Ų27.81%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-122.1110.4179.7-50.60000109.1V347 L349 V395 L403 A421 T434 V435 I436V347-T401 HydrophobicContact CG1-CG2 3.97Å; L349-T401 HydrophobicContact CD1-CG2 3.73Å; L349-T401 HydrophobicContact CG-CG2 3.84Å; V395-T401 HydrophobicContact CG2-CG2 3.99Å; T401-L403 HydrophobicContact CG2-CD2 4.48Å; T401-A421 HydrophobicContact CG2-CB 4.32Å; T401-T434 PolarHBondContact N-O 3.3Å; T401-V435 CarbonylContact O-C 3.57Å; T401-V435 VanDerWaalsContact O-CA 3.32Å; T401-V435 WeakPolarHBondContact O-CA 3.3Å; T401-I436 PolarHBondContact O-N 3.28Å
402F94.2Very high88.5Confident0 Ų035.1 Ų35.10%017%0.172CC..EExtended strand (participates in β ladder)trans-85.8138.1171.1-68.2-73.5000110.5F346 V347 I348 L349 L365 I436 L438 L460 L470 F474F346-F402 HydrophobicContact CB-CD2 3.92Å; F346-F402 HydrophobicContact CB-CE2 3.7Å; F346-F402 HydrophobicContact CD1-CE2 4.44Å; F346-F402 AromaticContact CD2-CD2 3.79Å; F346-F402 HydrophobicContact CD2-CD2 3.79Å; F346-F402 AromaticContact CD2-CE2 3.77Å; F346-F402 HydrophobicContact CD2-CE2 3.77Å; F346-F402 HydrophobicContact CG-CD2 4.07Å; F346-F402 AromaticContact CG-CE2 3.71Å; F346-F402 HydrophobicContact CG-CE2 3.71Å; V347-F402 PolarHBondContact O-N 3.35Å; I348-F402 HydrophobicContact CB-CB 4.46Å; I348-F402 HydrophobicContact CG1-CB 4.22Å; I348-F402 HydrophobicContact CG1-CD2 4.22Å; I348-F402 HydrophobicContact CG2-CB 4.43Å; L349-F402 PolarHBondContact N-O 2.99Å; L365-F402 HydrophobicContact CD1-CD2 3.83Å; L365-F402 HydrophobicContact CD1-CE2 3.54Å; L365-F402 HydrophobicContact CD1-CZ 4Å; L365-F402 HydrophobicContact CD2-CE1 4.35Å; L365-F402 HydrophobicContact CD2-CE2 3.86Å; L365-F402 HydrophobicContact CD2-CZ 3.55Å; L365-F402 HydrophobicContact CG-CE2 4.31Å; L365-F402 HydrophobicContact CG-CZ 4.43Å; F402-I436 VanDerWaalsContact CA-O 3.32Å; F402-I436 WeakPolarHBondContact CA-O 3.23Å; F402-I436 HydrophobicContact CD1-CB 4.02Å; F402-I436 HydrophobicContact CD1-CG2 3.89Å; F402-I436 HydrophobicContact CE1-CB 4.24Å; F402-I436 HydrophobicContact CE1-CG2 3.88Å; F402-L438 HydrophobicContact CB-CB 4.11Å; F402-L438 HydrophobicContact CB-CD2 3.96Å; F402-L438 HydrophobicContact CD1-CB 4.03Å; F402-L438 HydrophobicContact CD1-CD1 4.24Å; F402-L438 HydrophobicContact CD1-CD2 4.22Å; F402-L438 HydrophobicContact CD1-CG 4.41Å; F402-L438 HydrophobicContact CE1-CD1 4.44Å; F402-L438 HydrophobicContact CG-CB 4.44Å; F402-L438 HydrophobicContact CG-CD2 4.11Å; F402-L460 HydrophobicContact CE1-CD2 3.73Å; F402-L460 HydrophobicContact CZ-CD2 4.28Å; F402-L470 HydrophobicContact CZ-CD2 4.24Å; F402-F474 HydrophobicContact CE1-CE1 4.39Å; F402-F474 HydrophobicContact CE1-CE2 4.17Å; F402-F474 AromaticContact CE1-CZ 3.55Å; F402-F474 HydrophobicContact CE1-CZ 3.55Å; F402-F474 AromaticContact CE2-CE1 3.97Å; F402-F474 HydrophobicContact CE2-CE1 3.97Å; F402-F474 AromaticContact CE2-CZ 3.95Å; F402-F474 HydrophobicContact CE2-CZ 3.95Å; F402-F474 AromaticContact CZ-CE1 3.57Å; F402-F474 HydrophobicContact CZ-CE1 3.57Å; F402-F474 AromaticContact CZ-CE2 3.88Å; F402-F474 HydrophobicContact CZ-CE2 3.88Å; F402-F474 AromaticContact CZ-CZ 3.11Å; F402-F474 HydrophobicContact CZ-CZ 3.11Å
403L94.3Very high87.8Confident0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-105.8109.9169.2-56.2-179.5000108L349 T401 L405 F409 T418 V435 I436 L438 L454L349-L403 HydrophobicContact CB-CD2 4.15Å; L349-L403 HydrophobicContact CD1-CD2 3.84Å; L349-L403 HydrophobicContact CG-CD2 4.3Å; T401-L403 HydrophobicContact CG2-CD2 4.48Å; L403-L405 HydrophobicContact CB-CD2 4.04Å; L403-L405 PolarHBondContact O-N 3.2Å; L403-F409 HydrophobicContact CB-CZ 3.93Å; L403-F409 HydrophobicContact CD2-CZ 4.38Å; L403-T418 HydrophobicContact CD1-CG2 3.9Å; L403-V435 HydrophobicContact CD1-CG1 3.72Å; L403-V435 HydrophobicContact CD2-CG1 4.5Å; L403-V435 HydrophobicContact CG-CG1 3.94Å; L403-I436 PolarHBondContact N-O 2.88Å; L403-L438 WeakPolarHBondContact O-CB 3.43Å; L403-L438 PolarHBondContact O-N 3.17Å; L403-L454 HydrophobicContact CD1-CD1 3.93Å; L403-L454 HydrophobicContact CD1-CD2 3.7Å
404L94.4Very high87.1Confident0 Ų033.6 Ų33.60%017%0.166CC..EExtended strand (participates in β ladder)trans-77.792.7-175.8-171.871.8000110.9I348 L349 H350 D354 V357 A358 M361 T406 F409 L438 P440I348-L404 HydrophobicContact CG2-CB 3.86Å; L349-L404 PolarHBondContact O-N 3.23Å; H350-L404 HydrophobicContact CB-CB 4Å; H350-L404 HydrophobicContact CB-CD2 3.8Å; D354-L404 HydrophobicContact CB-CD2 4.05Å; V357-L404 HydrophobicContact CB-CD2 4.28Å; V357-L404 HydrophobicContact CG1-CD2 4.16Å; A358-L404 HydrophobicContact CB-CD2 3.93Å; M361-L404 HydrophobicContact CG-CD1 4.15Å; L404-T406 HydrophobicContact CD2-CG2 4.17Å; L404-T406 HydrophobicContact CG-CG2 3.98Å; L404-T406 PolarHBondContact O-N 3.02Å; L404-F409 WeakPolarHBondContact O-CD2 3.41Å; L404-F409 WeakPolarHBondContact O-CG 3.22Å; L404-L438 HydrophobicContact CD1-CD2 3.79Å; L404-L438 HydrophobicContact CD1-CG 4Å; L404-P440 HydrophobicContact CD1-CB 4.3Å; L404-P440 HydrophobicContact CD1-CG 3.98Å
405L93.4Very high86.7Confident0 Ų039.2 Ų39.20%019%0.192CC..  trans-81.481.6-173-59.6-165.1000111.9L403 F409 P437 L438 L439 M445 M450 L454L403-L405 HydrophobicContact CB-CD2 4.04Å; L403-L405 PolarHBondContact O-N 3.2Å; L405-F409 HydrophobicContact CD2-CD1 3.31Å; L405-F409 HydrophobicContact CD2-CD2 4.44Å; L405-F409 HydrophobicContact CD2-CE1 3.3Å; L405-F409 HydrophobicContact CD2-CE2 4.42Å; L405-F409 HydrophobicContact CD2-CG 3.93Å; L405-F409 HydrophobicContact CD2-CZ 3.9Å; L405-P437 HydrophobicContact CD1-CB 3.77Å; L405-P437 HydrophobicContact CG-CB 4.35Å; L405-L438 PolarHBondContact N-O 3.18Å; L405-L439 HydrophobicContact CB-CD2 3.81Å; L405-L439 HydrophobicContact CD1-CD2 4.42Å; L405-M445 HydrophobicContact CB-CB 4Å; L405-M445 HydrophobicContact CB-SD 4.18Å; L405-M445 HydrophobicContact CD1-SD 4.22Å; L405-M445 VanDerWaalsContact O-CB 3.28Å; L405-M445 WeakPolarHBondContact O-CB 3.34Å; L405-M445 PolarHBondContact O-N 2.99Å; L405-M450 HydrophobicContact CD1-CG 3.73Å; L405-M450 HydrophobicContact CD1-SD 3.26Å; L405-M450 WeakPolarHBondContact CD1-SD 3.32Å; L405-L454 HydrophobicContact CD1-CD1 4.08Å; L405-L454 HydrophobicContact CD2-CD1 4Å
406T92.6Very high86.3Confident0 Ų044 Ų440%022%0.216CC..BIsolated β-bridgetrans-92.7177.9168.372.30000111.3D354 L404 N408 F409 P440 N443D354-T406 HydrophobicContact CB-CG2 4.14Å; D354-T406 VanDerWaalsContact OD2-CB 3.31Å; D354-T406 WeakPolarHBondContact OD2-CB 3.43Å; D354-T406 WeakPolarHBondContact OD2-CG2 3.26Å; D354-T406 PolarHBondContact OD2-OG1 3.29Å; L404-T406 HydrophobicContact CD2-CG2 4.17Å; L404-T406 HydrophobicContact CG-CG2 3.98Å; L404-T406 PolarHBondContact O-N 3.02Å; T406-N408 PolarHBondContact O-N 3.49Å; T406-N408 PolarHBondContact OG1-N 3.35Å; T406-F409 WeakPolarHBondContact O-CB 3.39Å; T406-F409 PolarHBondContact O-N 3.24Å; T406-F409 PolarHBondContact OG1-N 3.46Å; T406-P440 HydrophobicContact CG2-CG 4.07Å; T406-N443 CarbonylContact C-O 3.57Å; T406-N443 WeakPolarHBondContact CA-O 3.29Å
407R90.3Very high86Confident145 Ų14542.7 Ų42.755%0.54721%0.208SC..THydrogen-bonded Turntrans-70.4-17.7168.2-63.2173.9178.4-163.4-6.2113.8N410 N443R407-N410 PolarHBondContact O-ND2 3.09Å; R407-N443 WeakPolarHBondContact CB-OD1 3.37Å; R407-N443 WeakPolarHBondContact CD-OD1 3.42Å; R407-N443 PolarHBondContact N-O 3.49Å
408N87.3Confident85.8Confident53 Ų5342.9 Ų42.928%0.28321%0.21SC..THydrogen-bonded Turntrans-84.7-14.7176.2-54.8-25.1000111.5A351 E353 D354 T406 N410 N443A351-N408 HydrophobicContact CB-CB 4.09Å; E353-N408 HydrophobicContact CB-CB 4.39Å; D354-N408 PolarHBondContact OD1-ND2 3.34Å; T406-N408 PolarHBondContact O-N 3.49Å; T406-N408 PolarHBondContact OG1-N 3.35Å; N408-N410 PolarHBondContact O-N 2.99Å; N408-N443 PolarHBondContact ND2-ND2 2.9Å
409F81.2Confident85.6Confident15 Ų1545.8 Ų45.87%0.06623%0.225CC..THydrogen-bonded Turntrans-72.449.9173.4-155.8-89.6000112L403 L404 L405 T406 V414 T418 M445L403-F409 HydrophobicContact CB-CZ 3.93Å; L403-F409 HydrophobicContact CD2-CZ 4.38Å; L404-F409 WeakPolarHBondContact O-CD2 3.41Å; L404-F409 WeakPolarHBondContact O-CG 3.22Å; L405-F409 HydrophobicContact CD2-CD1 3.31Å; L405-F409 HydrophobicContact CD2-CD2 4.44Å; L405-F409 HydrophobicContact CD2-CE1 3.3Å; L405-F409 HydrophobicContact CD2-CE2 4.42Å; L405-F409 HydrophobicContact CD2-CG 3.93Å; L405-F409 HydrophobicContact CD2-CZ 3.9Å; T406-F409 WeakPolarHBondContact O-CB 3.39Å; T406-F409 PolarHBondContact O-N 3.24Å; T406-F409 PolarHBondContact OG1-N 3.46Å; F409-V414 HydrophobicContact CB-CG1 4.3Å; F409-V414 HydrophobicContact CD1-CG1 3.32Å; F409-V414 HydrophobicContact CD2-CG1 3.48Å; F409-V414 VanDerWaalsContact CD2-CG1 3.48Å; F409-V414 HydrophobicContact CE1-CG1 3.3Å; F409-V414 HydrophobicContact CE2-CG1 3.48Å; F409-V414 VanDerWaalsContact CE2-CG1 3.48Å; F409-V414 HydrophobicContact CG-CG1 3.41Å; F409-V414 VanDerWaalsContact CG-CG1 3.41Å; F409-V414 HydrophobicContact CZ-CG1 3.38Å; F409-T418 WeakPolarHBondContact CE1-OG1 3.31Å; F409-M445 HydrophobicContact CB-CE 4.05Å; F409-M445 HydrophobicContact CD1-CE 4.2Å; F409-M445 VanDerWaalsContact O-CE 3.23Å; F409-M445 WeakPolarHBondContact O-CE 3.47Å
410N71.6Confident85.4Confident129 Ų12948.4 Ų48.469%0.6924%0.239SC*.THydrogen-bonded Turntrans-128.90.3-168.971.118000114.8R407 N408R407-N410 PolarHBondContact O-ND2 3.09Å; N408-N410 PolarHBondContact O-N 2.99Å
411S73.9Confident85.2Confident60 Ų6048.4 Ų48.442%0.4224%0.239SC..SBendtrans-76.1147.4177.2172.40000112.3M413 V414 E415S411-M413 PolarHBondContact O-N 3.22Å; S411-M413 PolarHBondContact OG-N 3.15Å; S411-V414 WeakPolarHBondContact O-CA 3.42Å; S411-V414 WeakPolarHBondContact O-CB 3.28Å; S411-V414 PolarHBondContact O-N 3.48Å; S411-E415 PolarHBondContact O-N 2.93Å; S411-E415 VanDerWaalsContact O-N 3.11Å
412Q74.3Confident85.1Confident165 Ų16549.5 Ų49.577%0.77124%0.244SC*.Hα-helixtrans-54.5-33.5172.3-171.8-178.517.200112.5V414 E415 M416Q412-V414 VanDerWaalsContact C-N 3.28Å; Q412-V414 PolarHBondContact O-N 2.92Å; Q412-E415 PolarHBondContact O-N 2.87Å; Q412-M416 PolarHBondContact O-N 2.72Å
413M71.9Confident85Confident85 Ų8554.1 Ų54.142%0.41927%0.268SS..Hα-helixtrans-64.3-34.7174.5-176.461.182.600111.9S411 M416 K417S411-M413 PolarHBondContact O-N 3.22Å; S411-M413 PolarHBondContact OG-N 3.15Å; M413-M416 PolarHBondContact O-N 3.21Å; M413-M416 HydrophobicContact SD-CE 3.63Å; M413-K417 HydrophobicContact CG-CD 4.4Å; M413-K417 WeakPolarHBondContact O-CD 3.44Å; M413-K417 VanDerWaalsContact O-CG 3.25Å; M413-K417 WeakPolarHBondContact O-CG 3.07Å; M413-K417 PolarHBondContact O-N 2.76Å
414V75.1Confident84.8Confident8 Ų854.6 Ų54.65%0.04827%0.27CS..Hα-helixtrans-76.4-32.4179.7175.30000111.5F409 S411 Q412 T418F409-V414 HydrophobicContact CB-CG1 4.3Å; F409-V414 HydrophobicContact CD1-CG1 3.32Å; F409-V414 HydrophobicContact CD2-CG1 3.48Å; F409-V414 VanDerWaalsContact CD2-CG1 3.48Å; F409-V414 HydrophobicContact CE1-CG1 3.3Å; F409-V414 HydrophobicContact CE2-CG1 3.48Å; F409-V414 VanDerWaalsContact CE2-CG1 3.48Å; F409-V414 HydrophobicContact CG-CG1 3.41Å; F409-V414 VanDerWaalsContact CG-CG1 3.41Å; F409-V414 HydrophobicContact CZ-CG1 3.38Å; S411-V414 WeakPolarHBondContact O-CA 3.42Å; S411-V414 WeakPolarHBondContact O-CB 3.28Å; S411-V414 PolarHBondContact O-N 3.48Å; Q412-V414 VanDerWaalsContact C-N 3.28Å; Q412-V414 PolarHBondContact O-N 2.92Å; V414-T418 WeakPolarHBondContact O-CB 3.5Å; V414-T418 PolarHBondContact O-N 2.92Å; V414-T418 PolarHBondContact O-OG1 3.39Å
415E80.6Confident84.5Confident118 Ų11855 Ų5555%0.55127%0.273SS*.Hα-helixtrans-62.7-46.7167.4-171.3-174.317500111.3S411 Q412 K417 T418 N419S411-E415 PolarHBondContact O-N 2.93Å; S411-E415 VanDerWaalsContact O-N 3.11Å; Q412-E415 PolarHBondContact O-N 2.87Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.4Å; E415-T418 WeakPolarHBondContact O-CB 3.29Å; E415-T418 PolarHBondContact O-N 3.45Å; E415-N419 PolarHBondContact O-N 3.14Å; E415-N419 PolarHBondContact O-ND2 3.02Å
416M83.1Confident84.3Confident102 Ų10260.5 Ų60.550%0.50230%0.301SS..Hα-helixtrans-59-44.6177-169.6179.479.500111.9Q412 M413 T418 N419 I420Q412-M416 PolarHBondContact O-N 2.72Å; M413-M416 PolarHBondContact O-N 3.21Å; M413-M416 HydrophobicContact SD-CE 3.63Å; M416-T418 PolarHBondContact O-N 2.89Å; M416-N419 PolarHBondContact O-N 3.12Å; M416-I420 HydrophobicContact CE-CD1 4.37Å; M416-I420 HydrophobicContact CG-CD1 4.07Å; M416-I420 VanDerWaalsContact O-CG1 3.32Å; M416-I420 WeakPolarHBondContact O-CG1 3.46Å; M416-I420 PolarHBondContact O-N 2.82Å
417K83.1Confident84.2Confident14 Ų1466 Ų666%0.06133%0.331CS..Hα-helixtrans-58-45.3174.2-73.9166.4-177.9170.80112.8D378 V391 M413 E415 N419 I420 A421D378-K417 WeakPolarHBondContact OD1-CE 3.26Å; D378-K417 IonicContact OD1-NZ 3.74Å; D378-K417 PolarHBondContact OD1-NZ 2.89Å; D378-K417 WeakPolarHBondContact OD2-CE 3.38Å; D378-K417 IonicContact OD2-NZ 2.74Å; D378-K417 PolarHBondContact OD2-NZ 3.5Å; V391-K417 HydrophobicContact CG1-CB 4.25Å; V391-K417 HydrophobicContact CG1-CG 4.16Å; V391-K417 HydrophobicContact CG2-CD 4.26Å; V391-K417 HydrophobicContact CG2-CG 3.7Å; M413-K417 HydrophobicContact CG-CD 4.4Å; M413-K417 WeakPolarHBondContact O-CD 3.44Å; M413-K417 VanDerWaalsContact O-CG 3.25Å; M413-K417 WeakPolarHBondContact O-CG 3.07Å; M413-K417 PolarHBondContact O-N 2.76Å; E415-K417 VanDerWaalsContact C-N 3.34Å; E415-K417 PolarHBondContact O-N 3.4Å; K417-N419 VanDerWaalsContact C-N 3.35Å; K417-I420 PolarHBondContact O-N 3.43Å; K417-A421 PolarHBondContact O-N 2.57Å
418T86.4Confident84.1Confident5 Ų561.8 Ų61.83%0.03132%0.319CS..Hα-helixtrans-58.8-47.6176-64.10000110.6L403 F409 V414 E415 M416 A421 L422 L454L403-T418 HydrophobicContact CD1-CG2 3.9Å; F409-T418 WeakPolarHBondContact CE1-OG1 3.31Å; V414-T418 WeakPolarHBondContact O-CB 3.5Å; V414-T418 PolarHBondContact O-N 2.92Å; V414-T418 PolarHBondContact O-OG1 3.39Å; E415-T418 WeakPolarHBondContact O-CB 3.29Å; E415-T418 PolarHBondContact O-N 3.45Å; M416-T418 PolarHBondContact O-N 2.89Å; T418-A421 PolarHBondContact O-N 2.73Å; T418-L422 HydrophobicContact CG2-CD1 3.86Å; T418-L422 HydrophobicContact CG2-CG 4.44Å; T418-L422 WeakPolarHBondContact O-CB 3.49Å; T418-L422 VanDerWaalsContact O-CG 3.25Å; T418-L422 WeakPolarHBondContact O-CG 3.43Å; T418-L422 PolarHBondContact O-N 3.3Å; T418-L454 HydrophobicContact CG2-CD1 3.97Å; T418-L454 HydrophobicContact CG2-CD2 3.96Å; T418-L454 HydrophobicContact CG2-CG 4.16Å
419N89.4Confident84.1Confident61 Ų6165.3 Ų65.333%0.32634%0.342SS..Hα-helixtrans-66.1-39.6179.5-69.8-26.8000112.4E415 M416 K417 L422 I423E415-N419 PolarHBondContact O-N 3.14Å; E415-N419 PolarHBondContact O-ND2 3.02Å; M416-N419 PolarHBondContact O-N 3.12Å; K417-N419 VanDerWaalsContact C-N 3.35Å; N419-L422 PolarHBondContact O-N 3.05Å; N419-I423 VanDerWaalsContact O-CB 3.3Å; N419-I423 WeakPolarHBondContact O-CB 3.36Å; N419-I423 WeakPolarHBondContact O-CD1 3.49Å; N419-I423 WeakPolarHBondContact O-CG1 3.49Å; N419-I423 PolarHBondContact O-N 3.25Å
420I89.1Confident84.4Confident56 Ų5666.7 Ų66.729%0.28735%0.349SS..Hα-helixtrans-58.9-50173.3-70.5163.4000110.7V391 M416 K417 L422 I423 N424V391-I420 HydrophobicContact CG1-CB 4.47Å; V391-I420 HydrophobicContact CG1-CG2 4.13Å; M416-I420 HydrophobicContact CE-CD1 4.37Å; M416-I420 HydrophobicContact CG-CD1 4.07Å; M416-I420 VanDerWaalsContact O-CG1 3.32Å; M416-I420 WeakPolarHBondContact O-CG1 3.46Å; M416-I420 PolarHBondContact O-N 2.82Å; K417-I420 PolarHBondContact O-N 3.43Å; I420-L422 PolarHBondContact O-N 3.05Å; I420-I423 PolarHBondContact O-N 3.45Å; I420-N424 VanDerWaalsContact O-CB 3.24Å; I420-N424 WeakPolarHBondContact O-CB 3.22Å; I420-N424 PolarHBondContact O-N 3.36Å
421A89.5Confident85.2Confident0 Ų060.8 Ų60.80%032%0.317CS..Hα-helixtrans-62.1-43.2179.500000112.4L349 V395 T401 K417 T418 S425 V435L349-A421 HydrophobicContact CD1-CB 4.34Å; V395-A421 HydrophobicContact CG2-CB 3.84Å; T401-A421 HydrophobicContact CG2-CB 4.32Å; K417-A421 PolarHBondContact O-N 2.57Å; T418-A421 PolarHBondContact O-N 2.73Å; A421-S425 WeakPolarHBondContact O-CB 3.43Å; A421-S425 PolarHBondContact O-N 3.26Å; A421-V435 HydrophobicContact CB-CG2 4.16Å; A421-V435 WeakPolarHBondContact O-CG2 3.38Å
422L91.6Very high85.9Confident23 Ų2363.9 Ų63.912%0.1232%0.323CS..Hα-helixtrans-64.3-49.7177.3-69.7172.7000111.9T418 N419 I420 N424 S425 I426 V435 L454 L457T418-L422 HydrophobicContact CG2-CD1 3.86Å; T418-L422 HydrophobicContact CG2-CG 4.44Å; T418-L422 WeakPolarHBondContact O-CB 3.49Å; T418-L422 VanDerWaalsContact O-CG 3.25Å; T418-L422 WeakPolarHBondContact O-CG 3.43Å; T418-L422 PolarHBondContact O-N 3.3Å; N419-L422 PolarHBondContact O-N 3.05Å; I420-L422 PolarHBondContact O-N 3.05Å; L422-N424 PolarHBondContact O-N 3.36Å; L422-S425 PolarHBondContact O-N 3.06Å; L422-S425 VanDerWaalsContact O-N 3.13Å; L422-S425 PolarHBondContact O-OG 2.97Å; L422-I426 WeakPolarHBondContact O-CG1 3.26Å; L422-I426 PolarHBondContact O-N 3.3Å; L422-V435 HydrophobicContact CD2-CB 4.18Å; L422-V435 HydrophobicContact CD2-CG1 3.88Å; L422-L454 HydrophobicContact CD1-CD2 4.03Å; L422-L454 HydrophobicContact CD2-CD2 4.22Å; L422-L457 HydrophobicContact CD2-CD1 3.87Å
423I91.7Very high86.6Confident97 Ų9760.5 Ų60.550%0.49731%0.311SS..Hα-helixtrans-62.7-41.7-179.9-69.2166.7000110.9N419 I420 S425 I426 N427N419-I423 VanDerWaalsContact O-CB 3.3Å; N419-I423 WeakPolarHBondContact O-CB 3.36Å; N419-I423 WeakPolarHBondContact O-CD1 3.49Å; N419-I423 WeakPolarHBondContact O-CG1 3.49Å; N419-I423 PolarHBondContact O-N 3.25Å; I420-I423 PolarHBondContact O-N 3.45Å; I423-S425 PolarHBondContact O-N 3Å; I423-I426 PolarHBondContact O-N 3.23Å; I423-N427 WeakPolarHBondContact CG2-ND2 3.39Å; I423-N427 WeakPolarHBondContact O-CB 3.39Å; I423-N427 VanDerWaalsContact O-CG 3.29Å; I423-N427 PolarHBondContact O-N 3.48Å
424N89.6Confident87.5Confident11 Ų1156.5 Ų56.56%0.05929%0.291CS..Hα-helixtrans-58.2-46.8172.7-176.1-42.6000111V395 N396 I420 L422 I426 N427 N428V395-N424 HydrophobicContact CG1-CB 3.99Å; N396-N424 PolarHBondContact OD1-ND2 3.04Å; I420-N424 VanDerWaalsContact O-CB 3.24Å; I420-N424 WeakPolarHBondContact O-CB 3.22Å; I420-N424 PolarHBondContact O-N 3.36Å; L422-N424 PolarHBondContact O-N 3.36Å; N424-I426 PolarHBondContact O-N 2.79Å; N424-N427 PolarHBondContact O-N 2.98Å; N424-N428 WeakPolarHBondContact O-CB 3.46Å; N424-N428 PolarHBondContact O-N 3.28Å; N424-N428 PolarHBondContact OD1-ND2 2.91Å
425S89.4Confident88.3Confident9 Ų956.4 Ų56.46%0.06329%0.29CS..Hα-helixtrans-64.8-22.5178.279.70000114.8A421 L422 I423 K431 F432A421-S425 WeakPolarHBondContact O-CB 3.43Å; A421-S425 PolarHBondContact O-N 3.26Å; L422-S425 PolarHBondContact O-N 3.06Å; L422-S425 VanDerWaalsContact O-N 3.13Å; L422-S425 PolarHBondContact O-OG 2.97Å; I423-S425 PolarHBondContact O-N 3Å; S425-K431 WeakPolarHBondContact CB-O 2.94Å; S425-K431 CarbonylContact O-C 3.59Å; S425-F432 VanDerWaalsContact O-CA 3.31Å; S425-F432 WeakPolarHBondContact O-CA 3.18Å; S425-F432 PolarHBondContact O-N 3.1Å
426I88.8Confident89Confident114 Ų11451.7 Ų51.759%0.58527%0.269SS*.Hα-helixtrans-84.7-43.9175.8-68.7163.2000110.8L422 I423 N424L422-I426 WeakPolarHBondContact O-CG1 3.26Å; L422-I426 PolarHBondContact O-N 3.3Å; I423-I426 PolarHBondContact O-N 3.23Å; N424-I426 PolarHBondContact O-N 2.79Å
427N89.9Confident89.5Confident116 Ų11646.9 Ų46.962%0.6225%0.245SC*.Hα-helixtrans-72.2-40.7-177.7-69.2-13.5000112.2I423 N424 V429I423-N427 WeakPolarHBondContact CG2-ND2 3.39Å; I423-N427 WeakPolarHBondContact O-CB 3.39Å; I423-N427 VanDerWaalsContact O-CG 3.29Å; I423-N427 PolarHBondContact O-N 3.48Å; N424-N427 PolarHBondContact O-N 2.98Å; N427-V429 PolarHBondContact O-N 3.38Å
428N88.4Confident90.1Very high56 Ų5646.2 Ų46.230%0.29924%0.242SC..  trans-89.9104.6-178.9-71.3-48.3000110.7N424 H430 K431 F432N424-N428 WeakPolarHBondContact O-CB 3.46Å; N424-N428 PolarHBondContact O-N 3.28Å; N424-N428 PolarHBondContact OD1-ND2 2.91Å; N428-H430 PolarHBondContact O-N 3.18Å; N428-K431 HydrophobicContact CB-CB 3.86Å; N428-K431 HydrophobicContact CB-CG 3.63Å; N428-K431 CarbonylContact O-C 3.48Å; N428-K431 WeakPolarHBondContact O-CA 3.39Å; N428-K431 WeakPolarHBondContact O-CB 3.15Å; N428-K431 PolarHBondContact O-N 2.84Å; N428-F432 PolarHBondContact O-N 3.49Å
429V87.6Confident90.4Very high128 Ų12846.8 Ų46.878%0.77625%0.245SC*.G310 helixtrans-52.3-33.2-178.5-179.20000113.1N427 K431N427-V429 PolarHBondContact O-N 3.38Å; V429-K431 VanDerWaalsContact C-N 3.33Å
430H86.8Confident90.7Very high44 Ų4444 Ų4420%0.20423%0.23CC..G310 helixtrans-81.9-8.8178.374.9-110.3000114.3N428 Q482 I485 E489N428-H430 PolarHBondContact O-N 3.18Å; H430-Q482 PolarHBondContact O-NE2 2.93Å; H430-Q482 VanDerWaalsContact O-NE2 3.11Å; H430-I485 HydrophobicContact CB-CD1 3.71Å; H430-I485 HydrophobicContact CB-CG2 4.32Å; H430-E489 IonicContact CE1-OE1 2.77Å; H430-E489 PolarHBondContact CE1-OE1 3.27Å; H430-E489 IonicContact CE1-OE2 2.67Å; H430-E489 PolarHBondContact CE1-OE2 2.82Å; H430-E489 IonicContact ND1-OE1 2.72Å; H430-E489 PolarHBondContact ND1-OE1 3.03Å; H430-E489 IonicContact NE2-OE2 3.46Å
431K89.8Confident90.8Very high4 Ų448.7 Ų48.72%0.01724%0.244CC..G310 helixtrans-102.63173.4-58.1-72.5179.4162.20112.6V395 N396 S398 S425 N428 V429 N433 T434V395-K431 PolarHBondContact O-NZ 3.49Å; N396-K431 VanDerWaalsContact C-NZ 3.34Å; N396-K431 PolarHBondContact O-NZ 2.83Å; S398-K431 PolarHBondContact O-NZ 3.5Å; S425-K431 WeakPolarHBondContact CB-O 2.94Å; S425-K431 CarbonylContact O-C 3.59Å; N428-K431 HydrophobicContact CB-CB 3.86Å; N428-K431 HydrophobicContact CB-CG 3.63Å; N428-K431 CarbonylContact O-C 3.48Å; N428-K431 WeakPolarHBondContact O-CA 3.39Å; N428-K431 WeakPolarHBondContact O-CB 3.15Å; N428-K431 PolarHBondContact O-N 2.84Å; V429-K431 VanDerWaalsContact C-N 3.33Å; K431-N433 PolarHBondContact O-N 3.22Å; K431-T434 WeakPolarHBondContact O-CB 3.33Å; K431-T434 VanDerWaalsContact O-CG2 3.25Å; K431-T434 WeakPolarHBondContact O-CG2 3.28Å; K431-T434 PolarHBondContact O-N 3.09Å; K431-T434 PolarHBondContact O-OG1 3.45Å
432F88.1Confident90.8Very high125 Ų12555.3 Ų55.355%0.54828%0.275SS..THydrogen-bonded Turntrans-58131.3179.6-169.3-112.9000112.2S425 N428 T434 R478S425-F432 VanDerWaalsContact O-CA 3.31Å; S425-F432 WeakPolarHBondContact O-CA 3.18Å; S425-F432 PolarHBondContact O-N 3.1Å; N428-F432 PolarHBondContact O-N 3.49Å; F432-T434 VanDerWaalsContact C-N 3.33Å; F432-T434 PolarHBondContact O-N 2.92Å; F432-R478 PolarHBondContact O-NH2 2.87Å
433N87.9Confident90.7Very high95 Ų9557.1 Ų57.151%0.50829%0.285SS..THydrogen-bonded Turntrans52.340.4-175.9-64.7-19.3000114.6K431 R478K431-N433 PolarHBondContact O-N 3.22Å; N433-R478 VanDerWaalsContact C-NH2 3.32Å; N433-R478 PolarHBondContact O-NH2 3.02Å
434T91.4Very high90.7Very high0 Ų053.8 Ų53.80%027%0.27CS..  trans-96.1-19.9171.860.10000114.4A399 T401 K431 F432A399-T434 WeakPolarHBondContact O-CG2 3.3Å; T401-T434 PolarHBondContact N-O 3.3Å; K431-T434 WeakPolarHBondContact O-CB 3.33Å; K431-T434 VanDerWaalsContact O-CG2 3.25Å; K431-T434 WeakPolarHBondContact O-CG2 3.28Å; K431-T434 PolarHBondContact O-N 3.09Å; K431-T434 PolarHBondContact O-OG1 3.45Å; F432-T434 VanDerWaalsContact C-N 3.33Å; F432-T434 PolarHBondContact O-N 2.92Å
435V93.2Very high90.8Very high7 Ų753.9 Ų53.94%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-78.1123.6176.9-178.20000109.3T401 L403 A421 L422 L457T401-V435 CarbonylContact O-C 3.57Å; T401-V435 VanDerWaalsContact O-CA 3.32Å; T401-V435 WeakPolarHBondContact O-CA 3.3Å; L403-V435 HydrophobicContact CD1-CG1 3.72Å; L403-V435 HydrophobicContact CD2-CG1 4.5Å; L403-V435 HydrophobicContact CG-CG1 3.94Å; A421-V435 HydrophobicContact CB-CG2 4.16Å; A421-V435 WeakPolarHBondContact O-CG2 3.38Å; L422-V435 HydrophobicContact CD2-CB 4.18Å; L422-V435 HydrophobicContact CD2-CG1 3.88Å; V435-L457 HydrophobicContact CG1-CD1 4.43Å
436I93.7Very high90.8Very high19 Ų1955.5 Ų55.510%0.09728%0.28CS..EExtended strand (participates in β ladder)trans-132.2117.6-173.1-67.7167.7000109.1F400 T401 F402 L403 L438 L460 F474F400-I436 HydrophobicContact CD1-CD1 3.72Å; F400-I436 HydrophobicContact CE1-CD1 4.07Å; T401-I436 PolarHBondContact O-N 3.28Å; F402-I436 VanDerWaalsContact CA-O 3.32Å; F402-I436 WeakPolarHBondContact CA-O 3.23Å; F402-I436 HydrophobicContact CD1-CB 4.02Å; F402-I436 HydrophobicContact CD1-CG2 3.89Å; F402-I436 HydrophobicContact CE1-CB 4.24Å; F402-I436 HydrophobicContact CE1-CG2 3.88Å; L403-I436 PolarHBondContact N-O 2.88Å; I436-L438 PolarHBondContact O-N 3.08Å; I436-L460 HydrophobicContact CG2-CB 4.05Å; I436-F474 HydrophobicContact CD1-CE1 4.43Å; I436-F474 HydrophobicContact CD1-CE2 3.8Å; I436-F474 HydrophobicContact CD1-CZ 3.44Å; I436-F474 VanDerWaalsContact CD1-CZ 3.44Å
437P94.4Very high90.7Very high0 Ų057 Ų570%028%0.282CS..EExtended strand (participates in β ladder)trans-61.4129.1170.3-19.731.2000110.4L405 L454 L457 A459 L460L405-P437 HydrophobicContact CD1-CB 3.77Å; L405-P437 HydrophobicContact CG-CB 4.35Å; P437-L454 HydrophobicContact CG-CB 4.29Å; P437-L454 HydrophobicContact CG-CD2 4.5Å; P437-L457 HydrophobicContact CG-CB 3.81Å; P437-L457 HydrophobicContact CG-CD1 4.23Å; P437-A459 HydrophobicContact CB-CB 3.85Å; P437-A459 HydrophobicContact CG-CB 4.32Å; P437-A459 CarbonylContact O-C 3.44Å; P437-A459 WeakPolarHBondContact O-CA 3.36Å; P437-L460 PolarHBondContact O-N 3.26Å
438L94.6Very high90.5Very high0 Ų059.2 Ų59.20%029%0.289CS..EExtended strand (participates in β ladder)trans-113.5114.2-179.4-177.962.3000108.9I348 M361 L365 F402 L403 L404 L405 I436 P440 L460 F466I348-L438 HydrophobicContact CD1-CD2 4.48Å; I348-L438 HydrophobicContact CG2-CD2 4.32Å; M361-L438 HydrophobicContact CB-CD2 4.27Å; M361-L438 HydrophobicContact CE-CD1 3.7Å; M361-L438 HydrophobicContact CE-CD2 4.17Å; M361-L438 HydrophobicContact CE-CG 4.03Å; L365-L438 HydrophobicContact CD1-CD2 4.3Å; F402-L438 HydrophobicContact CB-CB 4.11Å; F402-L438 HydrophobicContact CB-CD2 3.96Å; F402-L438 HydrophobicContact CD1-CB 4.03Å; F402-L438 HydrophobicContact CD1-CD1 4.24Å; F402-L438 HydrophobicContact CD1-CD2 4.22Å; F402-L438 HydrophobicContact CD1-CG 4.41Å; F402-L438 HydrophobicContact CE1-CD1 4.44Å; F402-L438 HydrophobicContact CG-CB 4.44Å; F402-L438 HydrophobicContact CG-CD2 4.11Å; L403-L438 WeakPolarHBondContact O-CB 3.43Å; L403-L438 PolarHBondContact O-N 3.17Å; L404-L438 HydrophobicContact CD1-CD2 3.79Å; L404-L438 HydrophobicContact CD1-CG 4Å; L405-L438 PolarHBondContact N-O 3.18Å; I436-L438 PolarHBondContact O-N 3.08Å; L438-P440 VanDerWaalsContact O-CD 3.3Å; L438-P440 WeakPolarHBondContact O-CD 3.45Å; L438-L460 HydrophobicContact CD1-CB 4.2Å; L438-L460 HydrophobicContact CD1-CD2 3.87Å; L438-L460 HydrophobicContact CD1-CG 4.06Å; L438-F466 HydrophobicContact CD1-CE2 4.02Å
439L94.3Very high90.5Very high18 Ų1862.6 Ų62.69%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-104.6101.5-177.2-71.6164.9000109.1L405 M445 A459 L460 D461 E462L405-L439 HydrophobicContact CB-CD2 3.81Å; L405-L439 HydrophobicContact CD1-CD2 4.42Å; L439-M445 HydrophobicContact CD2-CB 4.49Å; L439-A459 HydrophobicContact CD1-CB 3.86Å; L439-L460 PolarHBondContact N-O 3.25Å; L439-D461 HydrophobicContact CB-CB 4.42Å; L439-E462 PolarHBondContact O-N 2.98Å
440P94.8Very high90.5Very high1 Ų157.1 Ų57.11%0.00627%0.269CS..  trans-69.9159.1178.227.7-32.8000111.6V357 M361 L404 T406 L438 E442 C444V357-P440 HydrophobicContact CG1-CB 3.98Å; V357-P440 HydrophobicContact CG1-CG 4.28Å; M361-P440 HydrophobicContact SD-CB 4.48Å; L404-P440 HydrophobicContact CD1-CB 4.3Å; L404-P440 HydrophobicContact CD1-CG 3.98Å; T406-P440 HydrophobicContact CG2-CG 4.07Å; L438-P440 VanDerWaalsContact O-CD 3.3Å; L438-P440 WeakPolarHBondContact O-CD 3.45Å; P440-E442 VanDerWaalsContact C-N 3.28Å; P440-E442 WeakPolarHBondContact CG-O 3.29Å; P440-E442 PolarHBondContact O-N 3.03Å; P440-C444 VanDerWaalsContact O-CB 3.3Å; P440-C444 WeakPolarHBondContact O-CB 3.24Å; P440-C444 PolarHBondContact O-SG 2.94Å; P440-C444 VanDerWaalsContact O-SG 3.4Å
441R92.1Very high90.5Very high156 Ų15657.7 Ų57.759%0.58928%0.277SS*.SBendtrans-63-35.8178.2176.2-179.8172.8180-3.8111.9E462 R463R441-E462 HydrophobicContact CB-CB 4.33Å; R441-E462 HydrophobicContact CB-CG 4.27Å; R441-E462 WeakPolarHBondContact CB-OE2 3.42Å; R441-E462 PolarHBondContact N-OE2 3.4Å; R441-R463 HydrophobicContact CB-CG 4.27Å; R441-R463 HydrophobicContact CG-CG 4.23Å; R441-R463 PolarHBondContact O-NE 3.49Å; R441-R463 VanDerWaalsContact O-NE 3.14Å; R441-R463 PolarHBondContact O-NH2 3.28Å
442E88.8Confident90.3Very high139 Ų13963.9 Ų63.965%0.6531%0.309SS*.SBendtrans-114.3156.1-176.6-64.4-179.7-160.600110.3P440 C444P440-E442 VanDerWaalsContact C-N 3.28Å; P440-E442 WeakPolarHBondContact CG-O 3.29Å; P440-E442 PolarHBondContact O-N 3.03Å; E442-C444 PolarHBondContact O-N 3.39Å
443N90Very high90.2Very high60 Ų6061.5 Ų61.532%0.32130%0.304SS..SBendtrans48.419.2-170.2-155.824.8000116.7D354 T406 R407 N408D354-N443 PolarHBondContact OD1-ND2 3.41Å; T406-N443 CarbonylContact C-O 3.57Å; T406-N443 WeakPolarHBondContact CA-O 3.29Å; R407-N443 WeakPolarHBondContact CB-OD1 3.37Å; R407-N443 WeakPolarHBondContact CD-OD1 3.42Å; R407-N443 PolarHBondContact N-O 3.49Å; N408-N443 PolarHBondContact ND2-ND2 2.9Å
444C91.5Very high90.3Very high27 Ų2757 Ų5718%0.18228%0.28CS..BIsolated β-bridgetrans-55.1135.4-173.6-161.60000114P440 E442P440-C444 VanDerWaalsContact O-CB 3.3Å; P440-C444 WeakPolarHBondContact O-CB 3.24Å; P440-C444 PolarHBondContact O-SG 2.94Å; P440-C444 VanDerWaalsContact O-SG 3.4Å; E442-C444 PolarHBondContact O-N 3.39Å
445M90.8Very high90.2Very high14 Ų1461.7 Ų61.77%0.06930%0.302CS..PPolyproline II helixtrans-65.7129.1170.8-176.8179.9-87.700111L405 F409 L439 Q449 M450L405-M445 HydrophobicContact CB-CB 4Å; L405-M445 HydrophobicContact CB-SD 4.18Å; L405-M445 HydrophobicContact CD1-SD 4.22Å; L405-M445 VanDerWaalsContact O-CB 3.28Å; L405-M445 WeakPolarHBondContact O-CB 3.34Å; L405-M445 PolarHBondContact O-N 2.99Å; F409-M445 HydrophobicContact CB-CE 4.05Å; F409-M445 HydrophobicContact CD1-CE 4.2Å; F409-M445 VanDerWaalsContact O-CE 3.23Å; F409-M445 WeakPolarHBondContact O-CE 3.47Å; L439-M445 HydrophobicContact CD2-CB 4.49Å; M445-Q449 HydrophobicContact CG-CB 4.23Å; M445-M450 VanDerWaalsContact SD-CA 3.59Å; M445-M450 HydrophobicContact SD-CB 3.8Å; M445-M450 HydrophobicContact SD-CG 4.08Å
446P89.4Confident90Very high42 Ų4266.8 Ų66.827%0.27333%0.334SS..PPolyproline II helixtrans-72147.217132.4-34.4000110.5E448 Q449 M450P446-E448 WeakPolarHBondContact CB-OE2 3.41Å; P446-E448 PolarHBondContact O-N 3.13Å; P446-E448 VanDerWaalsContact O-N 3.12Å; P446-Q449 HydrophobicContact CG-CB 4.03Å; P446-Q449 HydrophobicContact CG-CG 3.81Å; P446-Q449 PolarHBondContact O-N 2.94Å; P446-M450 PolarHBondContact O-N 3.37Å
447K86.3Confident89.8Confident146 Ų14668 Ų6864%0.63534%0.34SS*.G310 helixtrans-60-30.3-173.5-76.7-167.5168.7-160.30113.2Q449 M450 Q455K447-Q449 PolarHBondContact O-N 3.47Å; K447-M450 WeakPolarHBondContact O-CB 3.32Å; K447-M450 PolarHBondContact O-N 3.38Å; K447-M450 VanDerWaalsContact O-N 3.13Å; K447-Q455 PolarHBondContact O-NE2 2.96Å
448E87.3Confident89.6Confident162 Ų16274.3 Ų74.376%0.75738%0.378SS*.G310 helixtrans-68.3-20.2-178.8-58.368.7-149.600112.1P446P446-E448 WeakPolarHBondContact CB-OE2 3.41Å; P446-E448 PolarHBondContact O-N 3.13Å; P446-E448 VanDerWaalsContact O-N 3.12Å
449Q87.1Confident89.5Confident128 Ų12875.9 Ų75.960%0.59839%0.391SS*.G310 helixtrans-99.8-9.7173.7-67.9176.8-17.400112.9M445 P446 K447M445-Q449 HydrophobicContact CG-CB 4.23Å; P446-Q449 HydrophobicContact CG-CB 4.03Å; P446-Q449 HydrophobicContact CG-CG 3.81Å; P446-Q449 PolarHBondContact O-N 2.94Å; K447-Q449 PolarHBondContact O-N 3.47Å
450M88Confident89.4Confident13 Ų1375.4 Ų75.46%0.06439%0.389CS..SBendtrans-78.4127.5-177.6-170.6168.77200110.6L405 M445 P446 K447 I452 L454 Q455L405-M450 HydrophobicContact CD1-CG 3.73Å; L405-M450 HydrophobicContact CD1-SD 3.26Å; L405-M450 WeakPolarHBondContact CD1-SD 3.32Å; M445-M450 VanDerWaalsContact SD-CA 3.59Å; M445-M450 HydrophobicContact SD-CB 3.8Å; M445-M450 HydrophobicContact SD-CG 4.08Å; P446-M450 PolarHBondContact O-N 3.37Å; K447-M450 WeakPolarHBondContact O-CB 3.32Å; K447-M450 PolarHBondContact O-N 3.38Å; K447-M450 VanDerWaalsContact O-N 3.13Å; M450-I452 PolarHBondContact O-N 3.01Å; M450-L454 HydrophobicContact CG-CB 3.96Å; M450-L454 HydrophobicContact SD-CB 4.33Å; M450-Q455 HydrophobicContact CB-CG 4.39Å; M450-Q455 HydrophobicContact CE-CB 4.16Å; M450-Q455 HydrophobicContact CE-CG 3.64Å; M450-Q455 HydrophobicContact CG-CG 4.47Å; M450-Q455 PolarHBondContact O-NE2 3.05Å
451P86.3Confident89.3Confident56 Ų5676.7 Ų76.736%0.36440%0.395SS..  trans-51.8137.9178.8-29.535.3000112.9T453 L454 Q455P451-T453 PolarHBondContact O-N 2.88Å; P451-T453 VanDerWaalsContact O-N 3.13Å; P451-L454 HydrophobicContact CB-CG 4.44Å; P451-L454 WeakPolarHBondContact O-CA 3.37Å; P451-L454 WeakPolarHBondContact O-CB 3.42Å; P451-L454 PolarHBondContact O-N 3.42Å; P451-Q455 PolarHBondContact O-N 2.91Å
452I85.8Confident89.3Confident134 Ų13471.4 Ų71.469%0.68738%0.377SS*.Hα-helixtrans-57.2-34.6-173.9-59.7175000111.4M450 L454 Q455 T456M450-I452 PolarHBondContact O-N 3.01Å; I452-L454 PolarHBondContact O-N 2.84Å; I452-Q455 WeakPolarHBondContact O-CB 3.37Å; I452-Q455 PolarHBondContact O-N 3.35Å; I452-Q455 VanDerWaalsContact O-N 3.15Å; I452-T456 PolarHBondContact O-N 3.24Å
453T86.4Confident89.3Confident74 Ų7472.6 Ų72.645%0.45438%0.376SS..Hα-helixtrans-55-49.317247.90000112P451 Q455 T456P451-T453 PolarHBondContact O-N 2.88Å; P451-T453 VanDerWaalsContact O-N 3.13Å; T453-Q455 VanDerWaalsContact C-N 3.33Å; T453-Q455 PolarHBondContact O-N 2.98Å; T453-T456 PolarHBondContact O-N 3.33Å; T453-T456 PolarHBondContact O-OG1 3.38Å
454L89.5Confident89Confident0 Ų078 Ų780%039%0.392CS..Hα-helixtrans-70.7-25.4176.9-59-171.8000113L403 L405 T418 L422 P437 M450 P451 I452 T456 L457L403-L454 HydrophobicContact CD1-CD1 3.93Å; L403-L454 HydrophobicContact CD1-CD2 3.7Å; L405-L454 HydrophobicContact CD1-CD1 4.08Å; L405-L454 HydrophobicContact CD2-CD1 4Å; T418-L454 HydrophobicContact CG2-CD1 3.97Å; T418-L454 HydrophobicContact CG2-CD2 3.96Å; T418-L454 HydrophobicContact CG2-CG 4.16Å; L422-L454 HydrophobicContact CD1-CD2 4.03Å; L422-L454 HydrophobicContact CD2-CD2 4.22Å; P437-L454 HydrophobicContact CG-CB 4.29Å; P437-L454 HydrophobicContact CG-CD2 4.5Å; M450-L454 HydrophobicContact CG-CB 3.96Å; M450-L454 HydrophobicContact SD-CB 4.33Å; P451-L454 HydrophobicContact CB-CG 4.44Å; P451-L454 WeakPolarHBondContact O-CA 3.37Å; P451-L454 WeakPolarHBondContact O-CB 3.42Å; P451-L454 PolarHBondContact O-N 3.42Å; I452-L454 PolarHBondContact O-N 2.84Å; L454-T456 PolarHBondContact O-N 3.41Å; L454-L457 HydrophobicContact CD2-CD1 3.86Å; L454-L457 PolarHBondContact O-N 3.31Å; L454-L457 VanDerWaalsContact O-N 3.12Å
455Q89.6Confident88.6Confident100 Ų10080.9 Ų80.947%0.46741%0.405SS..Hα-helixtrans-64.6-22171.5-60.2-176.130.800113.3K447 M450 P451 I452 T453 L457K447-Q455 PolarHBondContact O-NE2 2.96Å; M450-Q455 HydrophobicContact CB-CG 4.39Å; M450-Q455 HydrophobicContact CE-CB 4.16Å; M450-Q455 HydrophobicContact CE-CG 3.64Å; M450-Q455 HydrophobicContact CG-CG 4.47Å; M450-Q455 PolarHBondContact O-NE2 3.05Å; P451-Q455 PolarHBondContact O-N 2.91Å; I452-Q455 WeakPolarHBondContact O-CB 3.37Å; I452-Q455 PolarHBondContact O-N 3.35Å; I452-Q455 VanDerWaalsContact O-N 3.15Å; T453-Q455 VanDerWaalsContact C-N 3.33Å; T453-Q455 PolarHBondContact O-N 2.98Å; Q455-L457 VanDerWaalsContact C-N 3.34Å
456T89.3Confident88.5Confident114 Ų11481.2 Ų81.270%0.69941%0.407SS*.THydrogen-bonded Turntrans-79.5-15173.672.10000113.6I452 T453 L454I452-T456 PolarHBondContact O-N 3.24Å; T453-T456 PolarHBondContact O-N 3.33Å; T453-T456 PolarHBondContact O-OG1 3.38Å; L454-T456 PolarHBondContact O-N 3.41Å
457L90.3Very high88.5Confident45 Ų4584.3 Ų84.324%0.23642%0.417CS..SBendtrans-90.2154.3-176.2-60.2-178.4000112.3L422 V435 P437 L454 Q455 A459L422-L457 HydrophobicContact CD2-CD1 3.87Å; V435-L457 HydrophobicContact CG1-CD1 4.43Å; P437-L457 HydrophobicContact CG-CB 3.81Å; P437-L457 HydrophobicContact CG-CD1 4.23Å; L454-L457 HydrophobicContact CD2-CD1 3.86Å; L454-L457 PolarHBondContact O-N 3.31Å; L454-L457 VanDerWaalsContact O-N 3.12Å; Q455-L457 VanDerWaalsContact C-N 3.34Å; L457-A459 PolarHBondContact O-N 2.98Å
458V89.3Confident88.5Confident132 Ų13285.6 Ų85.680%0.842%0.418SS*.  trans-76.689.1176.7-176.20000109.6
459A91.6Very high88.5Confident33 Ų3381.8 Ų81.827%0.27340%0.4SS..  trans-64.5138.1176.500000112.5P437 L439 L457P437-A459 HydrophobicContact CB-CB 3.85Å; P437-A459 HydrophobicContact CG-CB 4.32Å; P437-A459 CarbonylContact O-C 3.44Å; P437-A459 WeakPolarHBondContact O-CA 3.36Å; L439-A459 HydrophobicContact CD1-CB 3.86Å; L457-A459 PolarHBondContact O-N 2.98Å
460L93.2Very high88.5Confident7 Ų775.7 Ų75.74%0.03737%0.372CS..EExtended strand (participates in β ladder)trans-96.1104.1174.7179.761.3000110L365 F402 I436 P437 L438 L439 F466 H469 L470L365-L460 HydrophobicContact CD2-CD2 4.38Å; F402-L460 HydrophobicContact CE1-CD2 3.73Å; F402-L460 HydrophobicContact CZ-CD2 4.28Å; I436-L460 HydrophobicContact CG2-CB 4.05Å; P437-L460 PolarHBondContact O-N 3.26Å; L438-L460 HydrophobicContact CD1-CB 4.2Å; L438-L460 HydrophobicContact CD1-CD2 3.87Å; L438-L460 HydrophobicContact CD1-CG 4.06Å; L439-L460 PolarHBondContact N-O 3.25Å; L460-F466 HydrophobicContact CD1-CD2 3.73Å; L460-F466 HydrophobicContact CD1-CE2 4.25Å; L460-F466 HydrophobicContact CD2-CD2 4Å; L460-F466 HydrophobicContact CD2-CE2 3.64Å; L460-F466 HydrophobicContact CD2-CZ 4.47Å; L460-F466 HydrophobicContact CG-CD2 3.67Å; L460-F466 HydrophobicContact CG-CE2 3.73Å; L460-H469 HydrophobicContact CD1-CB 3.65Å; L460-L470 HydrophobicContact CD1-CG 4.27Å; L460-L470 HydrophobicContact CD2-CD1 4.3Å; L460-L470 HydrophobicContact CD2-CD2 3.51Å; L460-L470 HydrophobicContact CD2-CG 3.74Å
461D92.4Very high88.4Confident28 Ų2881.4 Ų81.415%0.1540%0.396CS..EExtended strand (participates in β ladder)trans-93.9119.1179.3176.10.7000111L439 R463 R464L439-D461 HydrophobicContact CB-CB 4.42Å; D461-R463 PolarHBondContact O-N 3.09Å; D461-R463 WeakPolarHBondContact OD1-CA 3.35Å; D461-R463 WeakPolarHBondContact OD1-CB 3.42Å; D461-R463 WeakPolarHBondContact OD1-CG 3.47Å; D461-R463 PolarHBondContact OD1-N 3.49Å; D461-R464 HydrophobicContact CB-CB 4.13Å; D461-R464 PolarHBondContact O-N 2.91Å; D461-R464 WeakPolarHBondContact OD2-CD 3.41Å; D461-R464 WeakPolarHBondContact OD2-CG 3.16Å; D461-R464 IonicContact OD2-NE 3.4Å; D461-R464 PolarHBondContact OD2-NE 2.99Å
462E92.8Very high88.2Confident45 Ų4587.4 Ų87.421%0.2142%0.417CS..THydrogen-bonded Turntrans-56-33.2176.7-168.1-176.7177.300111.9M361 K364 L439 R441 R464 F466M361-E462 HydrophobicContact CE-CB 4.24Å; M361-E462 HydrophobicContact CE-CG 4.34Å; M361-E462 HydrophobicContact SD-CG 4.42Å; K364-E462 IonicContact NZ-OE1 2.66Å; K364-E462 PolarHBondContact NZ-OE1 3.34Å; K364-E462 IonicContact NZ-OE2 3.89Å; L439-E462 PolarHBondContact O-N 2.98Å; R441-E462 HydrophobicContact CB-CB 4.33Å; R441-E462 HydrophobicContact CB-CG 4.27Å; R441-E462 WeakPolarHBondContact CB-OE2 3.42Å; R441-E462 PolarHBondContact N-OE2 3.4Å; E462-R464 VanDerWaalsContact C-N 3.32Å; E462-R464 PolarHBondContact O-N 2.8Å; E462-F466 HydrophobicContact CB-CD2 4.32Å
463R87.6Confident87.7Confident164 Ų16483.1 Ų83.162%0.61940%0.401SS*.THydrogen-bonded Turntrans-77.5-13.6-179-50.9173.4173.3-170.3-0.2113R441 D461R441-R463 HydrophobicContact CB-CG 4.27Å; R441-R463 HydrophobicContact CG-CG 4.23Å; R441-R463 PolarHBondContact O-NE 3.49Å; R441-R463 VanDerWaalsContact O-NE 3.14Å; R441-R463 PolarHBondContact O-NH2 3.28Å; D461-R463 PolarHBondContact O-N 3.09Å; D461-R463 WeakPolarHBondContact OD1-CA 3.35Å; D461-R463 WeakPolarHBondContact OD1-CB 3.42Å; D461-R463 WeakPolarHBondContact OD1-CG 3.47Å; D461-R463 PolarHBondContact OD1-N 3.49Å
464R84.9Confident87.5Confident174 Ų17480.2 Ų80.266%0.65738%0.382SS*.SBendtrans-13494.6-168.9-66.8-176.5-171.1-140.1-2.6113.5D461 E462 F466 H469D461-R464 HydrophobicContact CB-CB 4.13Å; D461-R464 PolarHBondContact O-N 2.91Å; D461-R464 WeakPolarHBondContact OD2-CD 3.41Å; D461-R464 WeakPolarHBondContact OD2-CG 3.16Å; D461-R464 IonicContact OD2-NE 3.4Å; D461-R464 PolarHBondContact OD2-NE 2.99Å; E462-R464 VanDerWaalsContact C-N 3.32Å; E462-R464 PolarHBondContact O-N 2.8Å; R464-F466 PolarHBondContact O-N 3.27Å; R464-H469 PolarHBondContact O-CE1 3.48Å; R464-H469 PolarHBondContact O-ND1 3.39Å
465N82.8Confident87Confident87 Ų8784.9 Ų84.947%0.46541%0.407SS..SBendtrans57.126.3174.2-63-78.7000114.1E467 R468 H469N465-E467 PolarHBondContact O-N 2.89Å; N465-R468 HydrophobicContact CB-CB 4.31Å; N465-R468 WeakPolarHBondContact O-CA 3.44Å; N465-R468 WeakPolarHBondContact O-CB 3.49Å; N465-R468 PolarHBondContact O-N 2.98Å; N465-R468 PolarHBondContact OD1-NH1 3.15Å; N465-H469 PolarHBondContact O-N 3.48Å
466F89.1Confident86.8Confident22 Ų2286 Ų8610%0.09641%0.411CS..Hα-helixtrans-39.1-60.6-175.2-175.7-111.4000113.9M361 K364 L365 L438 L460 E462 R464 R468 H469 L470M361-F466 HydrophobicContact CE-CE2 3.69Å; M361-F466 HydrophobicContact CE-CZ 3.7Å; K364-F466 HydrophobicContact CB-CE1 4.15Å; L365-F466 HydrophobicContact CD2-CZ 4.04Å; L365-F466 HydrophobicContact CG-CZ 4.36Å; L438-F466 HydrophobicContact CD1-CE2 4.02Å; L460-F466 HydrophobicContact CD1-CD2 3.73Å; L460-F466 HydrophobicContact CD1-CE2 4.25Å; L460-F466 HydrophobicContact CD2-CD2 4Å; L460-F466 HydrophobicContact CD2-CE2 3.64Å; L460-F466 HydrophobicContact CD2-CZ 4.47Å; L460-F466 HydrophobicContact CG-CD2 3.67Å; L460-F466 HydrophobicContact CG-CE2 3.73Å; E462-F466 HydrophobicContact CB-CD2 4.32Å; R464-F466 PolarHBondContact O-N 3.27Å; F466-R468 VanDerWaalsContact C-N 3.32Å; F466-R468 PolarHBondContact O-N 3.45Å; F466-H469 PolarHBondContact O-N 3.27Å; F466-L470 HydrophobicContact CD1-CD1 3.7Å; F466-L470 HydrophobicContact CD2-CD1 4.26Å; F466-L470 HydrophobicContact CE1-CD1 3.44Å; F466-L470 VanDerWaalsContact CE1-CD1 3.44Å; F466-L470 HydrophobicContact CE2-CD1 4.05Å; F466-L470 HydrophobicContact CG-CD1 4.11Å; F466-L470 HydrophobicContact CZ-CD1 3.64Å; F466-L470 WeakPolarHBondContact O-CB 3.11Å; F466-L470 WeakPolarHBondContact O-CG 3.45Å; F466-L470 PolarHBondContact O-N 2.87Å
467E88.8Confident86.8Confident106 Ų10683.7 Ų83.750%0.49540%0.403SS..Hα-helixtrans-57.3-39177.7-72.9-166.7-128.700114.4V368 N465 L470 K471V368-E467 HydrophobicContact CG2-CG 3.88Å; N465-E467 PolarHBondContact O-N 2.89Å; E467-L470 PolarHBondContact O-N 3.31Å; E467-K471 VanDerWaalsContact O-CB 3.27Å; E467-K471 WeakPolarHBondContact O-CB 3.49Å; E467-K471 WeakPolarHBondContact O-CD 3.43Å; E467-K471 VanDerWaalsContact O-CG 3.26Å; E467-K471 WeakPolarHBondContact O-CG 3.04Å; E467-K471 PolarHBondContact O-N 3.4Å; E467-K471 IonicContact OE2-NZ 2.65Å; E467-K471 PolarHBondContact OE2-NZ 3.24Å
468R87.1Confident86.7Confident174 Ų17485.5 Ų85.566%0.65741%0.407SS*.Hα-helixtrans-73.4-37.3-177.1-175.8-173.3-69.3158.5-3.5110.6N465 F466 K472N465-R468 HydrophobicContact CB-CB 4.31Å; N465-R468 WeakPolarHBondContact O-CA 3.44Å; N465-R468 WeakPolarHBondContact O-CB 3.49Å; N465-R468 PolarHBondContact O-N 2.98Å; N465-R468 PolarHBondContact OD1-NH1 3.15Å; F466-R468 VanDerWaalsContact C-N 3.32Å; F466-R468 PolarHBondContact O-N 3.45Å; R468-K472 VanDerWaalsContact O-CB 3.25Å; R468-K472 WeakPolarHBondContact O-CB 3.2Å; R468-K472 PolarHBondContact O-N 3.19Å; R468-K472 VanDerWaalsContact O-N 3.16Å
469H87Confident86.8Confident81 Ų8179.5 Ų79.538%0.37537%0.37SS..Hα-helixtrans-67.6-42.2172.3-66.3154.5000111.1L460 R464 N465 F466 K472 A473L460-H469 HydrophobicContact CD1-CB 3.65Å; R464-H469 PolarHBondContact O-CE1 3.48Å; R464-H469 PolarHBondContact O-ND1 3.39Å; N465-H469 PolarHBondContact O-N 3.48Å; F466-H469 PolarHBondContact O-N 3.27Å; H469-K472 PolarHBondContact O-N 3.46Å; H469-A473 WeakPolarHBondContact O-CB 3.27Å; H469-A473 PolarHBondContact O-N 3.47Å
470L87.5Confident86.8Confident1 Ų181.6 Ų81.61%0.00537%0.374CS..Hα-helixtrans-58.4-58.2173-78.3166.3000112.3L365 V368 I369 F402 L460 F466 E467 K472 A473 F474L365-L470 HydrophobicContact CD2-CD1 3.78Å; L365-L470 HydrophobicContact CD2-CD2 3.34Å; L365-L470 HydrophobicContact CD2-CG 4.19Å; V368-L470 HydrophobicContact CB-CD1 4.09Å; V368-L470 HydrophobicContact CG1-CB 3.63Å; V368-L470 HydrophobicContact CG1-CD1 3.77Å; V368-L470 HydrophobicContact CG1-CG 4.32Å; V368-L470 HydrophobicContact CG2-CD1 4.35Å; I369-L470 HydrophobicContact CD1-CD2 4.33Å; F402-L470 HydrophobicContact CZ-CD2 4.24Å; L460-L470 HydrophobicContact CD1-CG 4.27Å; L460-L470 HydrophobicContact CD2-CD1 4.3Å; L460-L470 HydrophobicContact CD2-CD2 3.51Å; L460-L470 HydrophobicContact CD2-CG 3.74Å; F466-L470 HydrophobicContact CD1-CD1 3.7Å; F466-L470 HydrophobicContact CD2-CD1 4.26Å; F466-L470 HydrophobicContact CE1-CD1 3.44Å; F466-L470 VanDerWaalsContact CE1-CD1 3.44Å; F466-L470 HydrophobicContact CE2-CD1 4.05Å; F466-L470 HydrophobicContact CG-CD1 4.11Å; F466-L470 HydrophobicContact CZ-CD1 3.64Å; F466-L470 WeakPolarHBondContact O-CB 3.11Å; F466-L470 WeakPolarHBondContact O-CG 3.45Å; F466-L470 PolarHBondContact O-N 2.87Å; E467-L470 PolarHBondContact O-N 3.31Å; L470-K472 PolarHBondContact O-N 3.2Å; L470-A473 PolarHBondContact O-N 3.24Å; L470-A473 VanDerWaalsContact O-N 3.15Å; L470-F474 HydrophobicContact CD2-CD2 3.67Å; L470-F474 HydrophobicContact CD2-CE2 3.72Å; L470-F474 HydrophobicContact CD2-CG 4.32Å; L470-F474 HydrophobicContact CD2-CZ 4.38Å; L470-F474 WeakPolarHBondContact O-CB 3.38Å; L470-F474 WeakPolarHBondContact O-CD2 3.35Å; L470-F474 PolarHBondContact O-N 2.99Å
471K84.8Confident86.8Confident132 Ų13288 Ų8857%0.57440%0.402SS*.Hα-helixtrans-59.6-20.3-179.9-71.9163.31751640113.2V368 E467V368-K471 HydrophobicContact CG1-CG 4.11Å; E467-K471 VanDerWaalsContact O-CB 3.27Å; E467-K471 WeakPolarHBondContact O-CB 3.49Å; E467-K471 WeakPolarHBondContact O-CD 3.43Å; E467-K471 VanDerWaalsContact O-CG 3.26Å; E467-K471 WeakPolarHBondContact O-CG 3.04Å; E467-K471 PolarHBondContact O-N 3.4Å; E467-K471 IonicContact OE2-NZ 2.65Å; E467-K471 PolarHBondContact OE2-NZ 3.24Å
472K81.9Confident86.8Confident183 Ų18387 Ų8780%0.79640%0.397SS*.Hα-helixtrans-89.6-40.5174.2-174.8177177.5-176.70113.8R468 H469 L470R468-K472 VanDerWaalsContact O-CB 3.25Å; R468-K472 WeakPolarHBondContact O-CB 3.2Å; R468-K472 PolarHBondContact O-N 3.19Å; R468-K472 VanDerWaalsContact O-N 3.16Å; H469-K472 PolarHBondContact O-N 3.46Å; L470-K472 PolarHBondContact O-N 3.2Å
473A76.6Confident86.8Confident44 Ų4488.7 Ų88.736%0.36440%0.401SS..Hα-helixtrans-85.5-33.4-176.200000113.2H469 L470 N475H469-A473 WeakPolarHBondContact O-CB 3.27Å; H469-A473 PolarHBondContact O-N 3.47Å; L470-A473 PolarHBondContact O-N 3.24Å; L470-A473 VanDerWaalsContact O-N 3.15Å; A473-N475 PolarHBondContact O-N 2.94Å
474F81.8Confident87.2Confident13 Ų1387 Ų876%0.05740%0.398CS..  trans-97.167.4-173.6-67.6-101.8000110.8I369 F400 F402 I436 L470 K476I369-F474 HydrophobicContact CD1-CB 4.27Å; I369-F474 HydrophobicContact CD1-CD1 3.77Å; I369-F474 HydrophobicContact CD1-CE1 4.37Å; I369-F474 HydrophobicContact CD1-CG 4.03Å; I369-F474 HydrophobicContact CG1-CB 4.27Å; I369-F474 HydrophobicContact CG1-CG 4.5Å; F400-F474 HydrophobicContact CB-CE1 3.67Å; F400-F474 HydrophobicContact CB-CZ 4.35Å; F400-F474 HydrophobicContact CD1-CD1 4.33Å; F400-F474 AromaticContact CD1-CE1 3.68Å; F400-F474 HydrophobicContact CD1-CE1 3.68Å; F400-F474 AromaticContact CD1-CZ 3.97Å; F400-F474 HydrophobicContact CD1-CZ 3.97Å; F400-F474 AromaticContact CD2-CD1 3.66Å; F400-F474 HydrophobicContact CD2-CD1 3.66Å; F400-F474 AromaticContact CD2-CE1 3.58Å; F400-F474 HydrophobicContact CD2-CE1 3.58Å; F400-F474 HydrophobicContact CE1-CD1 4.39Å; F400-F474 HydrophobicContact CE1-CE1 4.11Å; F400-F474 HydrophobicContact CE1-CZ 4.35Å; F400-F474 AromaticContact CE2-CD1 3.76Å; F400-F474 HydrophobicContact CE2-CD1 3.76Å; F400-F474 HydrophobicContact CE2-CE1 4.04Å; F400-F474 AromaticContact CG-CD1 3.96Å; F400-F474 HydrophobicContact CG-CD1 3.96Å; F400-F474 AromaticContact CG-CE1 3.37Å; F400-F474 HydrophobicContact CG-CE1 3.37Å; F400-F474 HydrophobicContact CG-CZ 4.1Å; F400-F474 HydrophobicContact CZ-CD1 4.11Å; F400-F474 HydrophobicContact CZ-CE1 4.27Å; F402-F474 HydrophobicContact CE1-CE1 4.39Å; F402-F474 HydrophobicContact CE1-CE2 4.17Å; F402-F474 AromaticContact CE1-CZ 3.55Å; F402-F474 HydrophobicContact CE1-CZ 3.55Å; F402-F474 AromaticContact CE2-CE1 3.97Å; F402-F474 HydrophobicContact CE2-CE1 3.97Å; F402-F474 AromaticContact CE2-CZ 3.95Å; F402-F474 HydrophobicContact CE2-CZ 3.95Å; F402-F474 AromaticContact CZ-CE1 3.57Å; F402-F474 HydrophobicContact CZ-CE1 3.57Å; F402-F474 AromaticContact CZ-CE2 3.88Å; F402-F474 HydrophobicContact CZ-CE2 3.88Å; F402-F474 AromaticContact CZ-CZ 3.11Å; F402-F474 HydrophobicContact CZ-CZ 3.11Å; I436-F474 HydrophobicContact CD1-CE1 4.43Å; I436-F474 HydrophobicContact CD1-CE2 3.8Å; I436-F474 HydrophobicContact CD1-CZ 3.44Å; I436-F474 VanDerWaalsContact CD1-CZ 3.44Å; L470-F474 HydrophobicContact CD2-CD2 3.67Å; L470-F474 HydrophobicContact CD2-CE2 3.72Å; L470-F474 HydrophobicContact CD2-CG 4.32Å; L470-F474 HydrophobicContact CD2-CZ 4.38Å; L470-F474 WeakPolarHBondContact O-CB 3.38Å; L470-F474 WeakPolarHBondContact O-CD2 3.35Å; L470-F474 PolarHBondContact O-N 2.99Å; F474-K476 PolarHBondContact O-N 2.85Å
475N78.6Confident87.5Confident98 Ų9880.7 Ų80.752%0.52438%0.377SS..  trans-68.1122.2172.2-176.6-16.7000110A473 A477 R478 I479A473-N475 PolarHBondContact O-N 2.94Å; N475-A477 PolarHBondContact O-N 3.32Å; N475-A477 VanDerWaalsContact O-N 3.15Å; N475-A477 WeakPolarHBondContact OD1-CB 3.5Å; N475-A477 PolarHBondContact OD1-N 2.86Å; N475-R478 HydrophobicContact CB-CB 4.37Å; N475-R478 WeakPolarHBondContact O-CA 3.47Å; N475-R478 WeakPolarHBondContact O-CB 3.46Å; N475-R478 PolarHBondContact O-N 2.91Å; N475-I479 PolarHBondContact O-N 3.47Å
476K86.5Confident88.1Confident123 Ų12378 Ų7854%0.53536%0.36SS..Hα-helixtrans-55.2-32.5178-63.9-162176.6-154.50113.1I369 F474 R478 I479 E480I369-K476 WeakPolarHBondContact O-CE 3.48Å; I369-K476 PolarHBondContact O-NZ 2.88Å; F474-K476 PolarHBondContact O-N 2.85Å; K476-R478 VanDerWaalsContact C-N 3.27Å; K476-R478 PolarHBondContact O-N 2.94Å; K476-I479 PolarHBondContact O-N 3.15Å; K476-E480 VanDerWaalsContact O-CB 3.26Å; K476-E480 WeakPolarHBondContact O-CB 3.42Å; K476-E480 PolarHBondContact O-N 3.08Å
477A88.3Confident88.3Confident66 Ų6680 Ų8055%0.54537%0.372SS..Hα-helixtrans-67.2-25.1175.300000113.5N475 K481N475-A477 PolarHBondContact O-N 3.32Å; N475-A477 VanDerWaalsContact O-N 3.15Å; N475-A477 WeakPolarHBondContact OD1-CB 3.5Å; N475-A477 PolarHBondContact OD1-N 2.86Å; A477-K481 WeakPolarHBondContact O-CB 3.34Å; A477-K481 PolarHBondContact O-N 3.41Å
478R89Confident88.4Confident82 Ų8283.4 Ų83.431%0.30938%0.38SS..Hα-helixtrans-76.6-45.4174.7-176.7172.7172.7-159.81.6110.9F400 F432 N433 N475 K476 E480 K481 Q482F400-R478 HydrophobicContact CZ-CG 4.31Å; F432-R478 PolarHBondContact O-NH2 2.87Å; N433-R478 VanDerWaalsContact C-NH2 3.32Å; N433-R478 PolarHBondContact O-NH2 3.02Å; N475-R478 HydrophobicContact CB-CB 4.37Å; N475-R478 WeakPolarHBondContact O-CA 3.47Å; N475-R478 WeakPolarHBondContact O-CB 3.46Å; N475-R478 PolarHBondContact O-N 2.91Å; K476-R478 VanDerWaalsContact C-N 3.27Å; K476-R478 PolarHBondContact O-N 2.94Å; R478-E480 VanDerWaalsContact C-N 3.3Å; R478-E480 PolarHBondContact O-N 3.28Å; R478-K481 PolarHBondContact O-N 3.46Å; R478-Q482 WeakPolarHBondContact O-CG 3.42Å; R478-Q482 PolarHBondContact O-N 3.38Å; R478-Q482 PolarHBondContact O-OE1 2.85Å
479I91.3Very high88.6Confident7 Ų779 Ų794%0.03637%0.367CS..Hα-helixtrans-56.3-47.9172.6-57.6171.9000109.8F343 A345 I369 A399 F400 N475 K476 K481 Q482 R483F343-I479 HydrophobicContact CE1-CG2 4.36Å; A345-I479 HydrophobicContact CB-CD1 4.42Å; A345-I479 HydrophobicContact CB-CG2 4.08Å; I369-I479 HydrophobicContact CG2-CD1 3.93Å; A399-I479 HydrophobicContact CB-CB 4.33Å; A399-I479 HydrophobicContact CB-CG1 4.34Å; A399-I479 HydrophobicContact CB-CG2 3.99Å; F400-I479 HydrophobicContact CD2-CG1 4.24Å; F400-I479 HydrophobicContact CE2-CG1 3.83Å; N475-I479 PolarHBondContact O-N 3.47Å; K476-I479 PolarHBondContact O-N 3.15Å; I479-K481 PolarHBondContact O-N 2.9Å; I479-Q482 PolarHBondContact O-N 3.31Å; I479-R483 PolarHBondContact O-N 3.15Å
480E91.9Very high88.7Confident76 Ų7675.7 Ų75.736%0.35535%0.352SS..Hα-helixtrans-66.9-34.9179.8-17959.2-166.700113.4K476 R478 Q482 R483 K484K476-E480 VanDerWaalsContact O-CB 3.26Å; K476-E480 WeakPolarHBondContact O-CB 3.42Å; K476-E480 PolarHBondContact O-N 3.08Å; R478-E480 VanDerWaalsContact C-N 3.3Å; R478-E480 PolarHBondContact O-N 3.28Å; E480-Q482 VanDerWaalsContact C-N 3.34Å; E480-R483 IonicContact OE2-NE 3.76Å; E480-K484 PolarHBondContact O-N 3.36Å; E480-K484 VanDerWaalsContact O-N 3.16Å; E480-K484 WeakPolarHBondContact OE1-CE 3.36Å; E480-K484 IonicContact OE1-NZ 2.87Å; E480-K484 PolarHBondContact OE1-NZ 2.93Å
481K91.9Very high88.9Confident142 Ų14283.7 Ų83.762%0.61738%0.382SS*.Hα-helixtrans-62.7-42.1170.9-178.8-178.9177.4-176.20111.1A477 R478 I479 I485A477-K481 WeakPolarHBondContact O-CB 3.34Å; A477-K481 PolarHBondContact O-N 3.41Å; R478-K481 PolarHBondContact O-N 3.46Å; I479-K481 PolarHBondContact O-N 2.9Å; K481-I485 HydrophobicContact CG-CD1 4.16Å; K481-I485 WeakPolarHBondContact O-CG1 3.49Å; K481-I485 PolarHBondContact O-N 2.99Å
482Q92.3Very high89.1Confident8 Ų881 Ų814%0.03737%0.372CS..Hα-helixtrans-72.1-38.1-179.2-69.6170.3-69.800111.8F343 A399 H430 R478 I479 E480 K484 I485 W486F343-Q482 HydrophobicContact CZ-CB 4.21Å; A399-Q482 HydrophobicContact CB-CB 4.2Å; A399-Q482 PolarHBondContact O-NE2 3.38Å; A399-Q482 PolarHBondContact O-OE1 2.94Å; H430-Q482 PolarHBondContact O-NE2 2.93Å; H430-Q482 VanDerWaalsContact O-NE2 3.11Å; R478-Q482 WeakPolarHBondContact O-CG 3.42Å; R478-Q482 PolarHBondContact O-N 3.38Å; R478-Q482 PolarHBondContact O-OE1 2.85Å; I479-Q482 PolarHBondContact O-N 3.31Å; E480-Q482 VanDerWaalsContact C-N 3.34Å; Q482-K484 PolarHBondContact O-N 3.44Å; Q482-I485 PolarHBondContact O-N 2.98Å; Q482-W486 WeakPolarHBondContact O-CB 3.48Å; Q482-W486 PolarHBondContact O-N 3.45Å
483R93.4Very high89.4Confident80 Ų8078.2 Ų78.230%0.30236%0.357SS..Hα-helixtrans-53-52.5170.2-174.9-176.2-64.4-74.2-2111F343 I479 E480 I485 W486 D487F343-R483 HydrophobicContact CD1-CB 4.1Å; F343-R483 HydrophobicContact CD1-CG 4.09Å; F343-R483 VanDerWaalsContact CD1-CZ 3.49Å; F343-R483 HydrophobicContact CE1-CB 3.72Å; F343-R483 HydrophobicContact CE1-CG 4.23Å; F343-R483 HydrophobicContact CE2-CB 4.48Å; F343-R483 HydrophobicContact CG-CG 4.43Å; F343-R483 HydrophobicContact CZ-CB 3.91Å; F343-R483 VanDerWaalsContact CZ-N 3.34Å; I479-R483 PolarHBondContact O-N 3.15Å; E480-R483 IonicContact OE2-NE 3.76Å; R483-I485 VanDerWaalsContact C-N 3.27Å; R483-I485 PolarHBondContact O-N 3.07Å; R483-W486 CarbonylContact O-C 3.56Å; R483-W486 PolarHBondContact O-N 3.34Å; R483-W486 VanDerWaalsContact O-N 3.15Å; R483-D487 PolarHBondContact O-N 2.66Å
484K94.9Very high90Very high127 Ų12782.1 Ų82.155%0.55236%0.362SS*.Hα-helixtrans-63.3-26.8-180-78167.6166.9139.70115.1E480 Q482E480-K484 PolarHBondContact O-N 3.36Å; E480-K484 VanDerWaalsContact O-N 3.16Å; E480-K484 WeakPolarHBondContact OE1-CE 3.36Å; E480-K484 IonicContact OE1-NZ 2.87Å; E480-K484 PolarHBondContact OE1-NZ 2.93Å; Q482-K484 PolarHBondContact O-N 3.44Å
485I93.1Very high90.4Very high43 Ų4386.1 Ų86.122%0.22138%0.384CS..Hα-helixtrans-75.2-49.4173.8-69.9167.5000109.2H430 K481 Q482 R483 D487 R488 E489H430-I485 HydrophobicContact CB-CD1 3.71Å; H430-I485 HydrophobicContact CB-CG2 4.32Å; K481-I485 HydrophobicContact CG-CD1 4.16Å; K481-I485 WeakPolarHBondContact O-CG1 3.49Å; K481-I485 PolarHBondContact O-N 2.99Å; Q482-I485 PolarHBondContact O-N 2.98Å; R483-I485 VanDerWaalsContact C-N 3.27Å; R483-I485 PolarHBondContact O-N 3.07Å; I485-D487 PolarHBondContact O-N 3Å; I485-R488 WeakPolarHBondContact O-CB 3.34Å; I485-R488 PolarHBondContact O-N 3.42Å; I485-R488 VanDerWaalsContact O-N 3.12Å; I485-E489 HydrophobicContact CG2-CG 4.46Å; I485-E489 WeakPolarHBondContact CG2-OE1 3.36Å; I485-E489 WeakPolarHBondContact O-CG 3.25Å; I485-E489 PolarHBondContact O-N 3.33Å
486W93.7Very high90.9Very high30 Ų3088.6 Ų88.611%0.11439%0.386CS..Hα-helixtrans-59.7-41.217617696.6000112.7D341 F343 N397 Q482 R483 R488 E489 Q490D341-W486 HydrophobicContact CB-CZ2 3.99Å; D341-W486 WeakPolarHBondContact O-CH2 3.26Å; D341-W486 WeakPolarHBondContact O-CZ2 3.39Å; F343-W486 HydrophobicContact CB-CD2 3.92Å; F343-W486 HydrophobicContact CB-CE3 3.76Å; F343-W486 HydrophobicContact CB-CH2 3.8Å; F343-W486 HydrophobicContact CB-CZ2 3.9Å; F343-W486 HydrophobicContact CB-CZ3 3.73Å; F343-W486 HydrophobicContact CD2-CB 3.77Å; F343-W486 AromaticContact CD2-CD1 3.93Å; F343-W486 AromaticContact CD2-CD2 3.56Å; F343-W486 HydrophobicContact CD2-CD2 3.56Å; F343-W486 AromaticContact CD2-CE3 3.97Å; F343-W486 HydrophobicContact CD2-CE3 3.97Å; F343-W486 AromaticContact CD2-CG 3.49Å; F343-W486 HydrophobicContact CD2-CG 3.49Å; F343-W486 VanDerWaalsContact CD2-CG 3.49Å; F343-W486 HydrophobicContact CE2-CB 3.85Å; F343-W486 HydrophobicContact CE2-CG 4.04Å; F343-W486 HydrophobicContact CG-CD2 4.16Å; F343-W486 HydrophobicContact CG-CE3 4.18Å; N397-W486 PolarHBondContact OD1-NE1 3.43Å; Q482-W486 WeakPolarHBondContact O-CB 3.48Å; Q482-W486 PolarHBondContact O-N 3.45Å; R483-W486 CarbonylContact O-C 3.56Å; R483-W486 PolarHBondContact O-N 3.34Å; R483-W486 VanDerWaalsContact O-N 3.15Å; W486-R488 PolarHBondContact O-N 3.05Å; W486-E489 PolarHBondContact O-N 3.12Å; W486-E489 VanDerWaalsContact O-N 3.15Å; W486-Q490 HydrophobicContact CD2-CG 3.79Å; W486-Q490 HydrophobicContact CE3-CG 4.2Å; W486-Q490 HydrophobicContact CG-CG 4.32Å; W486-Q490 HydrophobicContact CH2-CG 4.08Å; W486-Q490 HydrophobicContact CZ2-CG 3.7Å; W486-Q490 HydrophobicContact CZ3-CG 4.32Å; W486-Q490 WeakPolarHBondContact O-CB 3.5Å; W486-Q490 WeakPolarHBondContact O-CG 3.44Å; W486-Q490 PolarHBondContact O-N 2.97Å
487D93.3Very high91.1Very high65 Ų6586.7 Ų86.735%0.34838%0.381SS..Hα-helixtrans-57.7-35.9176-68.5-38.4000111.7R483 I485 R491R483-D487 PolarHBondContact O-N 2.66Å; I485-D487 PolarHBondContact O-N 3Å; D487-R491 WeakPolarHBondContact O-CB 3.39Å; D487-R491 PolarHBondContact O-N 3.46Å
488R92.4Very high91.1Very high176 Ų17688.6 Ų88.666%0.66438%0.378SS*.Hα-helixtrans-76.8-43.9177.3-176.5-177.1179.6-172-0.1111.1I485 W486 R491 M492I485-R488 WeakPolarHBondContact O-CB 3.34Å; I485-R488 PolarHBondContact O-N 3.42Å; I485-R488 VanDerWaalsContact O-N 3.12Å; W486-R488 PolarHBondContact O-N 3.05Å; R488-R491 PolarHBondContact O-N 2.95Å; R488-M492 WeakPolarHBondContact O-CG 3.44Å; R488-M492 PolarHBondContact O-N 3.21Å
489E90.3Very high91.2Very high82 Ų8291 Ų9138%0.38339%0.394SS..Hα-helixtrans-62.7-44178-73170.8177.700111H430 I485 W486 M492 R493H430-E489 IonicContact CE1-OE1 2.77Å; H430-E489 PolarHBondContact CE1-OE1 3.27Å; H430-E489 IonicContact CE1-OE2 2.67Å; H430-E489 PolarHBondContact CE1-OE2 2.82Å; H430-E489 IonicContact ND1-OE1 2.72Å; H430-E489 PolarHBondContact ND1-OE1 3.03Å; H430-E489 IonicContact NE2-OE2 3.46Å; I485-E489 HydrophobicContact CG2-CG 4.46Å; I485-E489 WeakPolarHBondContact CG2-OE1 3.36Å; I485-E489 WeakPolarHBondContact O-CG 3.25Å; I485-E489 PolarHBondContact O-N 3.33Å; W486-E489 PolarHBondContact O-N 3.12Å; W486-E489 VanDerWaalsContact O-N 3.15Å; E489-M492 CarbonylContact O-C 3.5Å; E489-M492 PolarHBondContact O-N 3.41Å; E489-M492 VanDerWaalsContact O-N 3.16Å; E489-R493 PolarHBondContact O-N 3.01Å
490Q89.7Confident91.2Very high12 Ų1297.7 Ų97.76%0.05642%0.422CS..Hα-helixtrans-63.2-40.9174.6-74.3-64.2-1.600113.2D341 W486 M492 R493 R494D341-Q490 VanDerWaalsContact CB-NE2 3.34Å; D341-Q490 VanDerWaalsContact CG-NE2 3.26Å; D341-Q490 PolarHBondContact OD2-NE2 2.97Å; D341-Q490 PolarHBondContact OD2-OE1 3.19Å; W486-Q490 HydrophobicContact CD2-CG 3.79Å; W486-Q490 HydrophobicContact CE3-CG 4.2Å; W486-Q490 HydrophobicContact CG-CG 4.32Å; W486-Q490 HydrophobicContact CH2-CG 4.08Å; W486-Q490 HydrophobicContact CZ2-CG 3.7Å; W486-Q490 HydrophobicContact CZ3-CG 4.32Å; W486-Q490 WeakPolarHBondContact O-CB 3.5Å; W486-Q490 WeakPolarHBondContact O-CG 3.44Å; W486-Q490 PolarHBondContact O-N 2.97Å; Q490-M492 VanDerWaalsContact C-N 3.29Å; Q490-M492 PolarHBondContact O-N 3.3Å; Q490-R493 WeakPolarHBondContact O-CB 3.29Å; Q490-R493 PolarHBondContact O-N 3.48Å; Q490-R493 VanDerWaalsContact O-N 3.14Å; Q490-R494 PolarHBondContact O-N 2.83Å
491R90.6Very high91.2Very high169 Ų16999.3 Ų99.364%0.63843%0.428SS*.Hα-helixtrans-60.6-39.9173.1-167.5-178.6-56.7-164.70.1111.7D487 R488 L495D487-R491 WeakPolarHBondContact O-CB 3.39Å; D487-R491 PolarHBondContact O-N 3.46Å; R488-R491 PolarHBondContact O-N 2.95Å; R491-L495 HydrophobicContact CG-CD1 4.4Å; R491-L495 VanDerWaalsContact O-CG 3.32Å; R491-L495 WeakPolarHBondContact O-CG 3.31Å; R491-L495 PolarHBondContact O-N 3.49Å; R491-L495 VanDerWaalsContact O-N 3.1Å
492M89.6Confident91.2Very high74 Ų7498 Ų9837%0.36543%0.425SS..Hα-helixtrans-73-30.8174-64.5-163.4-52.900113R488 E489 Q490 R496R488-M492 WeakPolarHBondContact O-CG 3.44Å; R488-M492 PolarHBondContact O-N 3.21Å; E489-M492 CarbonylContact O-C 3.5Å; E489-M492 PolarHBondContact O-N 3.41Å; E489-M492 VanDerWaalsContact O-N 3.16Å; Q490-M492 VanDerWaalsContact C-N 3.29Å; Q490-M492 PolarHBondContact O-N 3.3Å; M492-R496 WeakPolarHBondContact O-CB 3.48Å; M492-R496 WeakPolarHBondContact O-CD 3.28Å; M492-R496 VanDerWaalsContact O-CG 3.24Å; M492-R496 WeakPolarHBondContact O-CG 3.45Å; M492-R496 PolarHBondContact O-N 3.44Å
493R88.4Confident91.2Very high126 Ų126103 Ų10348%0.47545%0.452SS..Hα-helixtrans-62.1-47.6173.7-162.1-176.7-164.7179.611110.1D341 D393 E489 Q490 L497D341-R493 IonicContact OD1-NH1 3.56Å; D341-R493 IonicContact OD2-CZ 3.71Å; D341-R493 IonicContact OD2-NH1 4Å; D341-R493 PolarHBondContact OD2-NH1 3.06Å; D393-R493 IonicContact OD1-NH1 2.71Å; D393-R493 IonicContact OD1-NH2 3.15Å; E489-R493 PolarHBondContact O-N 3.01Å; Q490-R493 WeakPolarHBondContact O-CB 3.29Å; Q490-R493 PolarHBondContact O-N 3.48Å; Q490-R493 VanDerWaalsContact O-N 3.14Å; R493-L497 WeakPolarHBondContact O-CB 3.41Å; R493-L497 PolarHBondContact O-N 2.88Å
494R88.9Confident91.1Very high125 Ų125107.3 Ų107.347%0.47247%0.468SS..Hα-helixtrans-64.2-50.9175.9-72-162.5-72.1-92.412.3112.9Q490 R496 L497 E498Q490-R494 PolarHBondContact O-N 2.83Å; R494-R496 VanDerWaalsContact C-N 3.3Å; R494-R496 PolarHBondContact O-N 3.2Å; R494-L497 CarbonylContact O-C 3.53Å; R494-L497 WeakPolarHBondContact O-CA 3.39Å; R494-L497 WeakPolarHBondContact O-CB 3.49Å; R494-L497 PolarHBondContact O-N 3.45Å; R494-E498 WeakPolarHBondContact O-CG 3.4Å; R494-E498 PolarHBondContact O-N 3.06Å
495L90.8Very high91Very high98 Ų98104.8 Ų104.851%0.51346%0.46SS..Hα-helixtrans-56.6-41.1177.7-72.4169.1000112.8R491 L497 E498 E499R491-L495 HydrophobicContact CG-CD1 4.4Å; R491-L495 VanDerWaalsContact O-CG 3.32Å; R491-L495 WeakPolarHBondContact O-CG 3.31Å; R491-L495 PolarHBondContact O-N 3.49Å; R491-L495 VanDerWaalsContact O-N 3.1Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L495-L497 PolarHBondContact O-N 3.2Å; L495-E498 PolarHBondContact O-N 3.26Å; L495-E499 VanDerWaalsContact O-CB 3.29Å; L495-E499 WeakPolarHBondContact O-CB 3.28Å; L495-E499 PolarHBondContact O-N 2.78Å
496R89.3Confident90.8Very high150 Ų150106 Ų10657%0.56647%0.472SS*.Hα-helixtrans-70.2-26.3174.8-72.8169.9174.4169.7-2.8113.4M492 R494 K500M492-R496 WeakPolarHBondContact O-CB 3.48Å; M492-R496 WeakPolarHBondContact O-CD 3.28Å; M492-R496 VanDerWaalsContact O-CG 3.24Å; M492-R496 WeakPolarHBondContact O-CG 3.45Å; M492-R496 PolarHBondContact O-N 3.44Å; R494-R496 VanDerWaalsContact C-N 3.3Å; R494-R496 PolarHBondContact O-N 3.2Å; R496-K500 WeakPolarHBondContact O-CB 3.49Å; R496-K500 WeakPolarHBondContact O-CD 3.47Å; R496-K500 WeakPolarHBondContact O-CG 3.47Å; R496-K500 PolarHBondContact O-N 2.57Å
497L89.6Confident90.5Very high82 Ų82110.1 Ų110.143%0.42949%0.494SS..Hα-helixtrans-77.2-42.4174.6-176.961.5000110.7R493 R494 L495 K500 K501R493-L497 WeakPolarHBondContact O-CB 3.41Å; R493-L497 PolarHBondContact O-N 2.88Å; R494-L497 CarbonylContact O-C 3.53Å; R494-L497 WeakPolarHBondContact O-CA 3.39Å; R494-L497 WeakPolarHBondContact O-CB 3.49Å; R494-L497 PolarHBondContact O-N 3.45Å; L495-L497 VanDerWaalsContact C-N 3.33Å; L495-L497 PolarHBondContact O-N 3.2Å; L497-K500 PolarHBondContact O-N 2.89Å; L497-K501 HydrophobicContact CG-CD 4.46Å; L497-K501 WeakPolarHBondContact O-CB 3.3Å; L497-K501 WeakPolarHBondContact O-CG 3.46Å; L497-K501 PolarHBondContact O-N 3.08Å
498E89.6Confident90.2Very high106 Ų106111.6 Ų111.650%0.49550%0.499SS..Hα-helixtrans-58.9-48.3171.5-70.6163.3-14600111.2R494 L495 K500 K501 M502R494-E498 WeakPolarHBondContact O-CG 3.4Å; R494-E498 PolarHBondContact O-N 3.06Å; L495-E498 PolarHBondContact O-N 3.26Å; E498-K500 VanDerWaalsContact C-N 3.32Å; E498-K500 PolarHBondContact O-N 3.06Å; E498-K501 PolarHBondContact O-N 3.07Å; E498-M502 WeakPolarHBondContact O-CB 3.27Å; E498-M502 WeakPolarHBondContact O-CG 3.47Å; E498-M502 PolarHBondContact O-N 2.92Å
499E90.4Very high89.8Confident134 Ų134111.2 Ų111.263%0.62650%0.497SS*.Hα-helixtrans-56-44174.2-178.5179.2-143.300111.8L495 M502 L503L495-E499 VanDerWaalsContact O-CB 3.29Å; L495-E499 WeakPolarHBondContact O-CB 3.28Å; L495-E499 PolarHBondContact O-N 2.78Å; E499-M502 PolarHBondContact O-N 3.24Å; E499-L503 WeakPolarHBondContact O-CB 3.5Å; E499-L503 PolarHBondContact O-N 3.19Å
500K90.9Very high89.1Confident146 Ų146114.4 Ų114.464%0.63551%0.512SS*.Hα-helixtrans-70.1-39.7176-75.7173.7179.7-175.40113.5R496 L497 E498 M502 L503 R504R496-K500 WeakPolarHBondContact O-CB 3.49Å; R496-K500 WeakPolarHBondContact O-CD 3.47Å; R496-K500 WeakPolarHBondContact O-CG 3.47Å; R496-K500 PolarHBondContact O-N 2.57Å; L497-K500 PolarHBondContact O-N 2.89Å; E498-K500 VanDerWaalsContact C-N 3.32Å; E498-K500 PolarHBondContact O-N 3.06Å; K500-M502 VanDerWaalsContact C-N 3.33Å; K500-L503 PolarHBondContact O-N 3.21Å; K500-R504 WeakPolarHBondContact O-CB 3.44Å; K500-R504 PolarHBondContact O-N 3.08Å
501K91.9Very high88.4Confident111 Ų111120.1 Ų120.148%0.48354%0.542SS..Hα-helixtrans-60-45.3173.4-76.5179.6179.8-177.40109.4E338 L497 E498 L505E338-K501 IonicContact OE1-NZ 3.5Å; E338-K501 PolarHBondContact OE1-NZ 3.48Å; L497-K501 HydrophobicContact CG-CD 4.46Å; L497-K501 WeakPolarHBondContact O-CB 3.3Å; L497-K501 WeakPolarHBondContact O-CG 3.46Å; L497-K501 PolarHBondContact O-N 3.08Å; E498-K501 PolarHBondContact O-N 3.07Å; K501-L505 WeakPolarHBondContact O-CB 3.46Å; K501-L505 PolarHBondContact O-N 3.36Å
502M92.1Very high87.5Confident113 Ų113116.9 Ų116.956%0.55754%0.541SS*.Hα-helixtrans-65.8-45.7176.2-75.3-62.7-62.500113.3E498 E499 K500 R504 L505 C506E498-M502 WeakPolarHBondContact O-CB 3.27Å; E498-M502 WeakPolarHBondContact O-CG 3.47Å; E498-M502 PolarHBondContact O-N 2.92Å; E499-M502 PolarHBondContact O-N 3.24Å; K500-M502 VanDerWaalsContact C-N 3.33Å; M502-R504 VanDerWaalsContact C-N 3.34Å; M502-R504 PolarHBondContact O-N 3.06Å; M502-L505 PolarHBondContact O-N 3.28Å; M502-C506 PolarHBondContact O-N 3.11Å
503L91.7Very high86.2Confident113 Ų113118.6 Ų118.659%0.59255%0.551SS**Hα-helixtrans-60.7-43.9177.8-169.377.8000111.1E499 K500 C506 M507E499-L503 WeakPolarHBondContact O-CB 3.5Å; E499-L503 PolarHBondContact O-N 3.19Å; K500-L503 PolarHBondContact O-N 3.21Å; L503-C506 PolarHBondContact O-N 3.39Å; L503-M507 WeakPolarHBondContact O-CG 3.09Å; L503-M507 PolarHBondContact O-N 2.92Å
504R92.9Very high84.7Confident171 Ų171114.3 Ų114.365%0.64555%0.546SS*.Hα-helixtrans-57.7-50.6173.2179.2-173.8-71.2-174.1-2.9111K500 M502 C506 M507 E508K500-R504 WeakPolarHBondContact O-CB 3.44Å; K500-R504 PolarHBondContact O-N 3.08Å; M502-R504 VanDerWaalsContact C-N 3.34Å; M502-R504 PolarHBondContact O-N 3.06Å; R504-C506 VanDerWaalsContact C-N 3.27Å; R504-C506 PolarHBondContact O-N 3.37Å; R504-M507 PolarHBondContact O-N 3.34Å; R504-M507 VanDerWaalsContact O-N 3.09Å; R504-E508 VanDerWaalsContact CD-OE1 3.28Å; R504-E508 WeakPolarHBondContact CD-OE1 3.34Å; R504-E508 HydrophobicContact CG-CG 4.33Å; R504-E508 WeakPolarHBondContact CG-OE1 3.48Å; R504-E508 WeakPolarHBondContact O-CG 3.35Å; R504-E508 PolarHBondContact O-N 3.4Å
505L92.6Very high82.9Confident74 Ų74111.4 Ų111.439%0.38755%0.549SS..Hα-helixtrans-60-36.6179.5-161.588.4000112.3K501 M502 R509K501-L505 WeakPolarHBondContact O-CB 3.46Å; K501-L505 PolarHBondContact O-N 3.36Å; M502-L505 PolarHBondContact O-N 3.28Å; L505-R509 WeakPolarHBondContact O-CB 3.04Å; L505-R509 VanDerWaalsContact O-CG 3.25Å; L505-R509 WeakPolarHBondContact O-CG 3.43Å; L505-R509 PolarHBondContact O-N 3.4Å
506C88.5Confident80.9Confident70 Ų70110 Ų11047%0.47354%0.544SS..Hα-helixtrans-66.1-43.9173.5-77.30000112.3M502 L503 R504 R509 Q510M502-C506 PolarHBondContact O-N 3.11Å; L503-C506 PolarHBondContact O-N 3.39Å; R504-C506 VanDerWaalsContact C-N 3.27Å; R504-C506 PolarHBondContact O-N 3.37Å; C506-R509 PolarHBondContact O-N 2.99Å; C506-Q510 WeakPolarHBondContact O-CB 3.4Å; C506-Q510 PolarHBondContact O-N 2.91Å
507M87.4Confident79Confident116 Ų116108.8 Ų108.857%0.57155%0.548SS*.Hα-helixtrans-63.4-44.7175.4-69.7178.969.300111.9L503 R504 Q510 L511L503-M507 WeakPolarHBondContact O-CG 3.09Å; L503-M507 PolarHBondContact O-N 2.92Å; R504-M507 PolarHBondContact O-N 3.34Å; R504-M507 VanDerWaalsContact O-N 3.09Å; M507-Q510 PolarHBondContact O-N 3.12Å; M507-Q510 VanDerWaalsContact O-N 3.15Å; M507-L511 WeakPolarHBondContact O-CG 3.46Å; M507-L511 PolarHBondContact O-N 3.37Å
508E87.6Confident76.8Confident95 Ų95113 Ų11344%0.44457%0.566SS.*Hα-helixtrans-60.6-45.8176.6-72.9168.2-178.300111.5R504 Q510 L511 V512R504-E508 VanDerWaalsContact CD-OE1 3.28Å; R504-E508 WeakPolarHBondContact CD-OE1 3.34Å; R504-E508 HydrophobicContact CG-CG 4.33Å; R504-E508 WeakPolarHBondContact CG-OE1 3.48Å; R504-E508 WeakPolarHBondContact O-CG 3.35Å; R504-E508 PolarHBondContact O-N 3.4Å; E508-Q510 VanDerWaalsContact C-N 3.31Å; E508-Q510 PolarHBondContact O-N 3.29Å; E508-L511 PolarHBondContact O-N 3.16Å; E508-V512 WeakPolarHBondContact O-CG2 3.3Å; E508-V512 PolarHBondContact O-N 3.46Å; E508-V512 VanDerWaalsContact O-N 3.07Å
509R83.1Confident74.6Confident169 Ų169116.3 Ų116.364%0.63857%0.573SS**Hα-helixtrans-60.5-39.2173-76.3175.4176.9-134.9-0.7112.3L505 C506 V512 L513L505-R509 WeakPolarHBondContact O-CB 3.04Å; L505-R509 VanDerWaalsContact O-CG 3.25Å; L505-R509 WeakPolarHBondContact O-CG 3.43Å; L505-R509 PolarHBondContact O-N 3.4Å; C506-R509 PolarHBondContact O-N 2.99Å; R509-V512 PolarHBondContact O-N 3.19Å; R509-L513 WeakPolarHBondContact O-CB 3.07Å; R509-L513 PolarHBondContact O-N 3.34Å
510Q75.2Confident72.4Confident149 Ų149118.1 Ų118.170%0.69658%0.582SS**Hα-helixtrans-68.7-34.4179-166.7170.416.100112.3C506 M507 E508 G514C506-Q510 WeakPolarHBondContact O-CB 3.4Å; C506-Q510 PolarHBondContact O-N 2.91Å; M507-Q510 PolarHBondContact O-N 3.12Å; M507-Q510 VanDerWaalsContact O-N 3.15Å; E508-Q510 VanDerWaalsContact C-N 3.31Å; E508-Q510 PolarHBondContact O-N 3.29Å; Q510-G514 PolarHBondContact O-N 2.61Å
511L75.9Confident70.2Confident132 Ų132120.1 Ų120.169%0.69159%0.594SS**Hα-helixtrans-65.7-43.1171.8-69.7168.9000111.8M507 E508 G514 A515M507-L511 WeakPolarHBondContact O-CG 3.46Å; M507-L511 PolarHBondContact O-N 3.37Å; E508-L511 PolarHBondContact O-N 3.16Å; L511-G514 PolarHBondContact O-N 3.39Å; L511-A515 WeakPolarHBondContact O-CB 3.39Å; L511-A515 PolarHBondContact O-N 2.97Å
512V71.5Confident67.8Low100 Ų100121.5 Ų121.561%0.60661%0.606SS**Hα-helixtrans-65-42176.7173.60000111.7E508 R509 A515 T516E508-V512 WeakPolarHBondContact O-CG2 3.3Å; E508-V512 PolarHBondContact O-N 3.46Å; E508-V512 VanDerWaalsContact O-N 3.07Å; R509-V512 PolarHBondContact O-N 3.19Å; V512-A515 PolarHBondContact O-N 3.37Å; V512-T516 PolarHBondContact O-N 3.48Å; V512-T516 VanDerWaalsContact O-N 3.15Å; V512-T516 PolarHBondContact O-OG1 3.4Å
513L62.3Low65.4Low110 Ų110120.3 Ų120.358%0.57662%0.622SS**Hα-helixtrans-66.4-40.7174.1-85.8153.8000112.4R509 A515 T516 I517R509-L513 WeakPolarHBondContact O-CB 3.07Å; R509-L513 PolarHBondContact O-N 3.34Å; L513-A515 VanDerWaalsContact C-N 3.34Å; L513-A515 PolarHBondContact O-N 2.91Å; L513-T516 WeakPolarHBondContact O-CA 3.47Å; L513-T516 WeakPolarHBondContact O-CB 3.42Å; L513-T516 PolarHBondContact O-N 3.04Å; L513-I517 PolarHBondContact O-N 3.49Å; L513-I517 VanDerWaalsContact O-N 3.11Å
514G55.6Low63.1Low36 Ų36117.7 Ų117.737%0.37162%0.623SS.*Hα-helixtrans-59.7-42173.600000112.9Q510 L511 T516 I517Q510-G514 PolarHBondContact O-N 2.61Å; L511-G514 PolarHBondContact O-N 3.39Å; G514-T516 PolarHBondContact O-N 2.77Å; G514-I517 PolarHBondContact O-N 3.43Å
515A52.9Low60.7Low64 Ų64115.4 Ų115.453%0.52962%0.623SS.*Hα-helixtrans-66.1-20.7172.700000113.5L511 V512 L513L511-A515 WeakPolarHBondContact O-CB 3.39Å; L511-A515 PolarHBondContact O-N 2.97Å; V512-A515 PolarHBondContact O-N 3.37Å; L513-A515 VanDerWaalsContact C-N 3.34Å; L513-A515 PolarHBondContact O-N 2.91Å
516T48.8Very low58.4Low68 Ų68117.7 Ų117.742%0.41764%0.643SS.*Hα-helixtrans-81.8-37177.5-55.20000111.3V512 L513 G514 Q518 R519V512-T516 PolarHBondContact O-N 3.48Å; V512-T516 VanDerWaalsContact O-N 3.15Å; V512-T516 PolarHBondContact O-OG1 3.4Å; L513-T516 WeakPolarHBondContact O-CA 3.47Å; L513-T516 WeakPolarHBondContact O-CB 3.42Å; L513-T516 PolarHBondContact O-N 3.04Å; G514-T516 PolarHBondContact O-N 2.77Å; T516-Q518 VanDerWaalsContact C-N 3.26Å; T516-Q518 PolarHBondContact O-N 3.46Å; T516-R519 WeakPolarHBondContact O-CB 3.25Å; T516-R519 PolarHBondContact O-N 3.28Å
517I47.5Very low56.2Low125 Ų125123.3 Ų123.364%0.64165%0.654SS**Hα-helixtrans-63.7-29.3179.9-67.9168.2000112.3L513 G514 R519L513-I517 PolarHBondContact O-N 3.49Å; L513-I517 VanDerWaalsContact O-N 3.11Å; G514-I517 PolarHBondContact O-N 3.43Å; I517-R519 PolarHBondContact O-N 3.3Å
518Q43.8Very low54.1Low172 Ų172123.9 Ų123.980%0.80467%0.666SS**THydrogen-bonded Turntrans-72.8-13172.4-70.8-170.6-13.300114.1T516T516-Q518 VanDerWaalsContact C-N 3.26Å; T516-Q518 PolarHBondContact O-N 3.46Å
519R44Very low51.8Low174 Ų174127.3 Ų127.366%0.65768%0.682SS**THydrogen-bonded Turntrans-90.4-17.1-176.4-116.6-179.8-176.2165.33.9114.6T516 I517 Q521T516-R519 WeakPolarHBondContact O-CB 3.25Å; T516-R519 PolarHBondContact O-N 3.28Å; I517-R519 PolarHBondContact O-N 3.3Å; R519-Q521 VanDerWaalsContact C-N 3.27Å; R519-Q521 PolarHBondContact O-N 3.13Å
520E43.2Very low49.9Very low173 Ų173131 Ų13181%0.80870%0.696SS**THydrogen-bonded Turntrans-83.64.1-178.6-63.2-166.9142.600114
521Q45Very low48.3Very low188 Ų188131 Ų13188%0.87970%0.7SS**THydrogen-bonded Turntrans-105.9-2.2176.5-69.2-163.32.200115.4R519R519-Q521 VanDerWaalsContact C-N 3.27Å; R519-Q521 PolarHBondContact O-N 3.13Å
522D41.7Very low47Very low140 Ų140128 Ų12875%0.74969%0.694SS**  trans-127.8125.5174.2-166.915.2000112.5G524D522-G524 PolarHBondContact O-N 2.84Å; D522-G524 VanDerWaalsContact O-N 3.12Å
523G43.2Very low45.7Very low87 Ų87128.7 Ų128.790%0.89770%0.701SS**  trans-87.963-171.900000113.2
524G43.1Very low45.3Very low58 Ų58130.9 Ų130.960%0.59871%0.713SS**  trans-112.6143.2-172.500000116.5D522D522-G524 PolarHBondContact O-N 2.84Å; D522-G524 VanDerWaalsContact O-N 3.12Å
525D41Very low45.4Very low123 Ų123135.6 Ų135.666%0.65873%0.728SS**  trans-48129.6178.9-175.750.7000114.2R527D525-R527 PolarHBondContact O-N 2.77Å; D525-R527 IonicContact OD2-NE 3.34Å; D525-R527 PolarHBondContact OD2-NE 2.96Å
526P46.1Very low45.4Very low122 Ų122140.2 Ų140.279%0.79274%0.739SS**  trans-76.594.5-173.430.6-36.3000113
527R41.6Very low45.9Very low189 Ų189141.5 Ų141.571%0.71374%0.742SS**  trans-118.7134.4163.9-62.5-172-173.5-151.8-2.3111.5D525 Q529D525-R527 PolarHBondContact O-N 2.77Å; D525-R527 IonicContact OD2-NE 3.34Å; D525-R527 PolarHBondContact OD2-NE 2.96Å; R527-Q529 VanDerWaalsContact C-N 3.29Å; R527-Q529 PolarHBondContact O-N 3.04Å
528P42.1Very low46.3Very low128 Ų128142.3 Ų142.383%0.83174%0.743SS**  trans-77.977.2-179.332.6-35.6000111.2R530P528-R530 PolarHBondContact O-N 2.92Å
529Q40.5Very low46.6Very low166 Ų166141.4 Ų141.478%0.77674%0.744SS**  trans-63121.1160.7-76.7-177.9-20.100108.7R527 L531R527-Q529 VanDerWaalsContact C-N 3.29Å; R527-Q529 PolarHBondContact O-N 3.04Å; Q529-L531 PolarHBondContact O-N 2.88Å
530R42.5Very low47.5Very low247 Ų247135.5 Ų135.593%0.93273%0.733SS**  trans-63.8112162.7-74.6-178171.6-170.4-3.6107.1P528 A532P528-R530 PolarHBondContact O-N 2.92Å; R530-A532 PolarHBondContact O-N 2.86Å
531L41.3Very low48.1Very low149 Ų149134.3 Ų134.378%0.7873%0.732SS**  trans-67.5104.4165.1-77.591.9000107.8Q529Q529-L531 PolarHBondContact O-N 2.88Å
532A49Very low48.4Very low69 Ų69135.5 Ų135.557%0.5773%0.73SS**  trans-63.6138.6153.300000107.6R530 N534R530-A532 PolarHBondContact O-N 2.86Å; A532-N534 PolarHBondContact O-N 3.38Å
533P45Very low49.3Very low114 Ų114133.7 Ų133.774%0.7472%0.719SS**  trans-69.699.1176.928-33000109.3I535P533-I535 VanDerWaalsContact C-N 3.34Å; P533-I535 PolarHBondContact O-N 3.27Å
534N52.5Low50.2Low157 Ų157136.3 Ų136.384%0.8472%0.717SS**  trans-70.490.8172.4-74.7-14.3000109.1A532 H536A532-N534 PolarHBondContact O-N 3.38Å; N534-H536 PolarHBondContact O-N 2.94Å
535I57.7Low51.4Low134 Ų134137.3 Ų137.369%0.68771%0.708SS**  trans-72.4109.9175.9-54.2174000108.1P533 I537P533-I535 VanDerWaalsContact C-N 3.34Å; P533-I535 PolarHBondContact O-N 3.27Å; I535-I537 HydrophobicContact CG2-CD1 4.13Å; I535-I537 HydrophobicContact CG2-CG1 3.73Å
536H53.9Low52.6Low162 Ų162133.6 Ų133.675%0.7570%0.699SS**  trans-78.1121.4171.5-16672.4000109.2N534N534-H536 PolarHBondContact O-N 2.94Å
537I60Low53.6Low95 Ų95135.8 Ų135.849%0.48770%0.704SS.*  trans-123102.8-178.4-54.7179.3000108.4I535 A540 I543I535-I537 HydrophobicContact CG2-CD1 4.13Å; I535-I537 HydrophobicContact CG2-CG1 3.73Å; I537-A540 HydrophobicContact CG2-CB 3.42Å; I537-A540 VanDerWaalsContact CG2-CB 3.42Å; I537-I543 HydrophobicContact CD1-CD1 4.21Å; I537-I543 HydrophobicContact CG2-CD1 4.2Å
538E55.4Low54.7Low142 Ų142134.6 Ų134.666%0.66471%0.712SS**  trans-101.2142.516958.3-178.1149.300110.5A540E538-A540 PolarHBondContact O-N 3.09Å
539N50.5Low55.5Low152 Ų152132.2 Ų132.281%0.81370%0.698SS**SBendtrans62.923.1173.7-49.6-66000117.4
540A62.8Low56.1Low51 Ų51131 Ų13142%0.42170%0.702SS.*  trans-80.4120.2169.800000112I537 E538 Y542 I543I537-A540 HydrophobicContact CG2-CB 3.42Å; I537-A540 VanDerWaalsContact CG2-CB 3.42Å; E538-A540 PolarHBondContact O-N 3.09Å; A540-Y542 VanDerWaalsContact C-N 3.35Å; A540-Y542 PolarHBondContact O-N 2.87Å; A540-I543 HydrophobicContact CB-CD1 4.46Å; A540-I543 HydrophobicContact CB-CG1 4.14Å
541N55.2Low56.8Low148 Ų148125.4 Ų125.479%0.79169%0.688SS**SBendtrans-69.8-27.8179-76.6-19.7000113.9
542Y50.5Low57.6Low213 Ų213125.1 Ų125.184%0.83569%0.693SS**  trans-145.8137.6178.5-61.1-76.4000110.1A540A540-Y542 VanDerWaalsContact C-N 3.35Å; A540-Y542 PolarHBondContact O-N 2.87Å
543I61.4Low57.9Low101 Ų101126.9 Ų126.952%0.51870%0.696SS.*  trans-126.2122.7173.1-58.1176.2000106.9I537 A540 I545I537-I543 HydrophobicContact CD1-CD1 4.21Å; I537-I543 HydrophobicContact CG2-CD1 4.2Å; A540-I543 HydrophobicContact CB-CD1 4.46Å; A540-I543 HydrophobicContact CB-CG1 4.14Å; I543-I545 HydrophobicContact CG2-CG1 4.09Å
544V62.7Low57.9Low143 Ų143124.9 Ų124.987%0.86770%0.696SS**PPolyproline II helixtrans-100.1116.6177-178.70000108.4
545I68.6Low57.5Low78 Ų78123.9 Ų123.940%0.470%0.696SS.*PPolyproline II helixtrans-103.8126.3179.8-58.3179000107.7I543 S549 M551I543-I545 HydrophobicContact CG2-CG1 4.09Å; I545-S549 WeakPolarHBondContact CG2-O 3.34Å; I545-M551 HydrophobicContact CD1-CB 4.14Å; I545-M551 HydrophobicContact CD1-CE 4.29Å; I545-M551 HydrophobicContact CD1-SD 4Å
546G64.3Low56.9Low45 Ų45126.6 Ų126.646%0.46471%0.705SS.*PPolyproline II helixtrans-70.2151.4175.900000112D548 S549G546-D548 PolarHBondContact O-N 2.78Å; G546-S549 WeakPolarHBondContact O-CB 3.4Å; G546-S549 PolarHBondContact O-N 3.29Å
547N68.4Low56.1Low168 Ų168122.1 Ų122.190%0.89870%0.703SS**THydrogen-bonded Turntrans-50.3-32.2-168.4-61.4-5.8000115.4
548D63.5Low55.1Low165 Ų165123.4 Ų123.488%0.88272%0.72SS**THydrogen-bonded Turntrans-96.17.1-175.8-50.3-61.2000113.8G546G546-D548 PolarHBondContact O-N 2.78Å
549S59.2Low54.4Low78 Ų78121.4 Ų121.455%0.54573%0.728SS.*  trans-104.1132.1-178-64.80000112.5I545 G546I545-S549 WeakPolarHBondContact CG2-O 3.34Å; G546-S549 WeakPolarHBondContact O-CB 3.4Å; G546-S549 PolarHBondContact O-N 3.29Å
550T54Low53.8Low139 Ų139122.7 Ų122.785%0.85373%0.729SS**  trans-110142.418051.20000111.9
551M57.6Low52.9Low131 Ų131130.8 Ų130.865%0.64576%0.755SS**  trans-119.7121.5-177.9-180177.567.800110.8I545 V553I545-M551 HydrophobicContact CD1-CB 4.14Å; I545-M551 HydrophobicContact CD1-CE 4.29Å; I545-M551 HydrophobicContact CD1-SD 4Å; M551-V553 HydrophobicContact CE-CG2 3.96Å; M551-V553 HydrophobicContact CG-CG2 4.28Å; M551-V553 HydrophobicContact SD-CG2 4.42Å
552T57.7Low52.3Low142 Ų142128.8 Ų128.887%0.87175%0.752SS**  trans-102.6104.6177.7-18.30000109.7
553V55.4Low51.9Low106 Ų106122 Ų12264%0.64275%0.748SS**  trans-84.2116.5178.3-1760000109.7M551 V555M551-V553 HydrophobicContact CE-CG2 3.96Å; M551-V553 HydrophobicContact CG-CG2 4.28Å; M551-V553 HydrophobicContact SD-CG2 4.42Å; V553-V555 PolarHBondContact O-N 3.4Å
554G45.7Very low50.8Low72 Ų72125.5 Ų125.574%0.74277%0.766SS**  trans-74.6114.7170.700000110.7E556G554-E556 PolarHBondContact O-N 2.94Å
555V43.6Very low49.6Very low137 Ų137128.2 Ų128.283%0.8379%0.792SS**  trans-8589.6174.4-177.60000108.9V553 G557V553-V555 PolarHBondContact O-N 3.4Å; V555-G557 PolarHBondContact O-N 2.74Å
556E44.1Very low48.6Very low191 Ų191130.8 Ų130.889%0.89381%0.811SS**  trans-76113.3171.8-168.2160.4-145.300109.6G554 S558G554-E556 PolarHBondContact O-N 2.94Å; E556-S558 PolarHBondContact O-N 3.36Å
557G38.7Very low47.8Very low67 Ų67135.3 Ų135.369%0.69183%0.83SS**  trans-75.2113.4-164.700000113.9V555 A559V555-G557 PolarHBondContact O-N 2.74Å; G557-A559 PolarHBondContact O-N 2.99Å
558S38.2Very low46.6Very low123 Ų123133.4 Ų133.486%0.8683%0.826SS**  trans-69.896165.1-69.90000110.3E556E556-S558 PolarHBondContact O-N 3.36Å
559A39.8Very low45.6Very low100 Ų100131.6 Ų131.683%0.82682%0.823SS**  trans-65.2135.9178.600000111.9G557G557-A559 PolarHBondContact O-N 2.99Å
560E38.6Very low44.8Very low178 Ų178134.9 Ų134.983%0.83284%0.84SS**  trans-69.3143-169.8-60.1177115.200113.4
561K44.9Very low44.2Very low222 Ų222134.7 Ų134.797%0.96584%0.839SS**  trans-109.888.2160.4-97.8-173.5175177.70110
562S42Very low43.2Very low105 Ų105134.9 Ų134.973%0.73485%0.853SS**  trans-125.8133.816157.60000107.8
563G40.7Very low42.1Very low72 Ų72134.4 Ų134.474%0.74285%0.851SS**  trans-132.8153177.200000109.7
564L39.6Very low41Very low174 Ų174136.8 Ų136.891%0.91187%0.869SS**  trans-172.6101.3165.5-109.5166.9000111
565S36.3Very low40.6Very low200 Ų200142.6 Ų142.6100%1.39988%0.88SS**  trans173.90146.1-75.90000109.4

Retrieved 565 of 565 residues in 193.3 ms (Link to these results)

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