A0A077ZAY2_TRITR Loading...

Transmembrane protein 94

AlphaFold DB , UniProt , Accession A0A077ZAY2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,103 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
1M69.6Low85.5Confident143 Ų14366 Ų6670%0.70433%0.334SS*.  0142.40-69.9-170.8-178.900107.9I163 T211M1-I163 HydrophobicContact CB-CD1 4.4Å; M1-I163 HydrophobicContact SD-CD1 4.02Å; M1-I163 HydrophobicContact SD-CG2 4.08Å; M1-T211 HydrophobicContact CE-CG2 4.19Å; M1-T211 HydrophobicContact SD-CG2 3.81Å
2E77.7Confident85.8Confident166 Ų16663.8 Ų63.878%0.77632%0.323SS*.  trans-78.1-26.5-175.4-67.3-173.9165.100113.2G148E2-G148 WeakPolarHBondContact O-CA 3.18Å; E2-G148 PolarHBondContact O-N 3.28Å
3G85.6Confident86Confident23 Ų2359.2 Ų59.224%0.23730%0.3CS..  trans62.5-172.6-173.200000112.2
4L88.8Confident86.1Confident40 Ų4059.7 Ų59.721%0.20930%0.297CS..BIsolated β-bridgetrans-84.3145.2175.1-75.2173.7000110.6R8 L12 R146 D147 V159 G161 D162L4-R8 HydrophobicContact CD2-CG 4.06Å; L4-L12 HydrophobicContact CD1-CD1 3.99Å; L4-R146 WeakPolarHBondContact O-CD 3.03Å; L4-R146 PolarHBondContact O-NE 2.92Å; L4-R146 VanDerWaalsContact O-NE 3.08Å; L4-R146 PolarHBondContact O-NH2 3.36Å; L4-D147 PolarHBondContact O-N 3.36Å; L4-V159 HydrophobicContact CD1-CG2 4.11Å; L4-G161 WeakPolarHBondContact CD1-O 3.14Å; L4-D162 VanDerWaalsContact CD1-OD1 3.23Å; L4-D162 WeakPolarHBondContact CD1-OD1 3.26Å
5T88.8Confident86.2Confident75 Ų7560 Ų6046%0.4630%0.3SS..  trans-71.8146.6174.961.10000111.4T7 R8 A9 R146 D147T5-T7 VanDerWaalsContact C-N 3.27Å; T5-T7 PolarHBondContact O-N 3.44Å; T5-R8 PolarHBondContact O-N 3.37Å; T5-R8 VanDerWaalsContact OG1-CB 3.28Å; T5-R8 WeakPolarHBondContact OG1-CB 3.49Å; T5-R8 PolarHBondContact OG1-N 3.48Å; T5-A9 PolarHBondContact O-N 3.4Å; T5-R146 PolarHBondContact O-NH2 3.04Å; T5-D147 WeakPolarHBondContact CA-OD1 3.43Å; T5-D147 WeakPolarHBondContact CB-OD1 3.17Å
6T87.4Confident86.1Confident10 Ų1058.4 Ų58.46%0.06130%0.296CS..Hα-helixtrans-51.6-46.9-179.6-72.10000111.5R8 A9 L10 L126 R146 D147T6-R8 VanDerWaalsContact C-N 3.29Å; T6-R8 PolarHBondContact O-N 2.81Å; T6-A9 PolarHBondContact O-N 2.95Å; T6-L10 HydrophobicContact CG2-CD1 4.07Å; T6-L10 HydrophobicContact CG2-CG 4.41Å; T6-L10 WeakPolarHBondContact O-CG 3.3Å; T6-L10 PolarHBondContact O-N 3.47Å; T6-L126 HydrophobicContact CG2-CB 4.3Å; T6-R146 WeakPolarHBondContact OG1-CG 3.45Å; T6-D147 VanDerWaalsContact CB-OD2 3.26Å; T6-D147 WeakPolarHBondContact CB-OD2 3.48Å; T6-D147 PolarHBondContact N-OD1 3.34Å; T6-D147 PolarHBondContact N-OD2 3Å; T6-D147 PolarHBondContact OG1-OD2 2.68Å
7T87.1Confident85.9Confident47 Ų4755.2 Ų55.229%0.28828%0.28SS..Hα-helixtrans-57.7-40.5176.9-49.90000112.4T5 L10 F11 A119T5-T7 VanDerWaalsContact C-N 3.27Å; T5-T7 PolarHBondContact O-N 3.44Å; T7-L10 PolarHBondContact O-N 3.17Å; T7-F11 PolarHBondContact O-N 3.49Å; T7-F11 VanDerWaalsContact O-N 3.14Å; T7-A119 WeakPolarHBondContact CG2-O 3.28Å
8R89Confident85.8Confident124 Ų12455.4 Ų55.447%0.46829%0.287SS..Hα-helixtrans-70.2-39.6179.6-175.158.5176.9175.20.2112.4L4 T5 T6 F11 L12L4-R8 HydrophobicContact CD2-CG 4.06Å; T5-R8 PolarHBondContact O-N 3.37Å; T5-R8 VanDerWaalsContact OG1-CB 3.28Å; T5-R8 WeakPolarHBondContact OG1-CB 3.49Å; T5-R8 PolarHBondContact OG1-N 3.48Å; T6-R8 VanDerWaalsContact C-N 3.29Å; T6-R8 PolarHBondContact O-N 2.81Å; R8-F11 PolarHBondContact O-N 2.86Å; R8-L12 HydrophobicContact CG-CD1 4.43Å; R8-L12 WeakPolarHBondContact O-CG 3.25Å; R8-L12 PolarHBondContact O-N 2.86Å
9A88.9Confident85.6Confident8 Ų855.1 Ų55.17%0.06629%0.293CS..Hα-helixtrans-65.4-43.6172.800000111.7T5 T6 F11 L12 L13 R146 V159T5-A9 PolarHBondContact O-N 3.4Å; T6-A9 PolarHBondContact O-N 2.95Å; A9-F11 PolarHBondContact O-N 3.17Å; A9-L12 CarbonylContact O-C 3.34Å; A9-L12 PolarHBondContact O-N 3.09Å; A9-L13 VanDerWaalsContact O-CB 3.22Å; A9-L13 WeakPolarHBondContact O-CB 3.43Å; A9-L13 PolarHBondContact O-N 2.9Å; A9-R146 VanDerWaalsContact CA-NH2 3.34Å; A9-R146 VanDerWaalsContact CB-NH1 3.27Å; A9-R146 VanDerWaalsContact N-NH2 3.13Å; A9-V159 HydrophobicContact CB-CG1 4.5Å; A9-V159 HydrophobicContact CB-CG2 3.76Å
10L88.5Confident85.2Confident9 Ų954.9 Ų54.95%0.04729%0.29CS..Hα-helixtrans-57.9-36.8-179.3-69.4176.2000110.4T6 T7 R14 I115 M118 A119 I819T6-L10 HydrophobicContact CG2-CD1 4.07Å; T6-L10 HydrophobicContact CG2-CG 4.41Å; T6-L10 WeakPolarHBondContact O-CG 3.3Å; T6-L10 PolarHBondContact O-N 3.47Å; T7-L10 PolarHBondContact O-N 3.17Å; L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 3.32Å; L10-I115 HydrophobicContact CB-CG2 4.23Å; L10-I115 HydrophobicContact CD2-CG2 4.26Å; L10-I115 WeakPolarHBondContact O-CG2 3.39Å; L10-M118 HydrophobicContact CD1-CB 4.24Å; L10-A119 HydrophobicContact CB-CB 3.99Å; L10-I819 HydrophobicContact CD2-CD1 4.39Å
11F89Confident84.8Confident81 Ų8153.1 Ų53.136%0.35528%0.282SS..Hα-helixtrans-66.5-44.4173-164-97.7000113.2T7 R8 A9 R14 N15T7-F11 PolarHBondContact O-N 3.49Å; T7-F11 VanDerWaalsContact O-N 3.14Å; R8-F11 PolarHBondContact O-N 2.86Å; A9-F11 PolarHBondContact O-N 3.17Å; F11-R14 PolarHBondContact O-N 3.37Å; F11-N15 VanDerWaalsContact CD1-ND2 3.35Å; F11-N15 WeakPolarHBondContact CD1-ND2 3.12Å; F11-N15 WeakPolarHBondContact CE1-ND2 3.29Å; F11-N15 WeakPolarHBondContact O-CB 3.33Å; F11-N15 PolarHBondContact O-N 3.14Å; F11-N15 PolarHBondContact O-ND2 2.99Å; F11-N15 PolarHBondContact O-OD1 3.43Å
12L89.5Confident85.3Confident39 Ų3948.4 Ų48.420%0.20426%0.263CS..Hα-helixtrans-65.7-39.5176.6-69.2174.7000112.3L4 R8 A9 N15 S16 V159L4-L12 HydrophobicContact CD1-CD1 3.99Å; R8-L12 HydrophobicContact CG-CD1 4.43Å; R8-L12 WeakPolarHBondContact O-CG 3.25Å; R8-L12 PolarHBondContact O-N 2.86Å; A9-L12 CarbonylContact O-C 3.34Å; A9-L12 PolarHBondContact O-N 3.09Å; L12-N15 PolarHBondContact O-N 2.92Å; L12-S16 WeakPolarHBondContact O-CB 3.41Å; L12-S16 PolarHBondContact O-N 3.14Å; L12-S16 PolarHBondContact O-OG 3.1Å; L12-V159 HydrophobicContact CB-CB 4.13Å; L12-V159 HydrophobicContact CB-CG1 4.18Å; L12-V159 HydrophobicContact CB-CG2 4.18Å; L12-V159 HydrophobicContact CD1-CG2 4.07Å
13L87.9Confident85Confident5 Ų543.9 Ų43.93%0.02625%0.247CC..Hα-helixtrans-64.6-46.9176.6-177.764000110.1A9 N15 S16 L17 I115 L157 V159 L219 I823A9-L13 VanDerWaalsContact O-CB 3.22Å; A9-L13 WeakPolarHBondContact O-CB 3.43Å; A9-L13 PolarHBondContact O-N 2.9Å; L13-N15 VanDerWaalsContact C-N 3.32Å; L13-N15 PolarHBondContact O-N 2.89Å; L13-S16 PolarHBondContact O-N 3.4Å; L13-L17 HydrophobicContact CD1-CD1 4.18Å; L13-L17 HydrophobicContact CG-CD1 3.91Å; L13-L17 WeakPolarHBondContact O-CB 3.32Å; L13-L17 PolarHBondContact O-N 3.08Å; L13-I115 HydrophobicContact CD2-CD1 4.24Å; L13-I115 HydrophobicContact CG-CD1 4.49Å; L13-L157 HydrophobicContact CD2-CD2 3.77Å; L13-V159 HydrophobicContact CB-CG1 3.8Å; L13-V159 HydrophobicContact CD1-CG1 4.24Å; L13-L219 HydrophobicContact CD1-CD1 4.18Å; L13-I823 HydrophobicContact CD2-CD1 4.41Å
14R87.8Confident84Confident66 Ų6645.5 Ų45.525%0.24925%0.247CC..Hα-helixtrans-55.9-46.7172.8-179-144.5179.4-15017.7111.2L10 F11 S18 V112 I115 D116L10-R14 WeakPolarHBondContact O-CB 3.33Å; L10-R14 PolarHBondContact O-N 3.32Å; F11-R14 PolarHBondContact O-N 3.37Å; R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 3.37Å; R14-V112 HydrophobicContact CG-CG1 3.92Å; R14-I115 HydrophobicContact CB-CG2 3.98Å; R14-D116 WeakPolarHBondContact CD-OD1 3.27Å; R14-D116 HydrophobicContact CG-CB 4.45Å; R14-D116 VanDerWaalsContact CZ-CG 3.47Å; R14-D116 IonicContact CZ-OD1 2.64Å; R14-D116 VanDerWaalsContact CZ-OD1 3.24Å; R14-D116 IonicContact CZ-OD2 3.24Å; R14-D116 IonicContact NE-OD1 3.72Å; R14-D116 PolarHBondContact NE-OD1 2.95Å; R14-D116 IonicContact NE-OD2 3.73Å; R14-D116 PolarHBondContact NE-OD2 3.42Å; R14-D116 IonicContact NH1-OD1 2.83Å; R14-D116 VanDerWaalsContact NH2-CG 3.33Å; R14-D116 IonicContact NH2-OD1 3.8Å; R14-D116 PolarHBondContact NH2-OD1 3.44Å; R14-D116 IonicContact NH2-OD2 2.72Å; R14-D116 PolarHBondContact NH2-OD2 3.06Å
15N87.9Confident82.9Confident64 Ų6446.3 Ų46.334%0.34226%0.256SS..Hα-helixtrans-65.6-40.1-179.9-68.1-14.7000111.8F11 L12 L13 S18 A19F11-N15 VanDerWaalsContact CD1-ND2 3.35Å; F11-N15 WeakPolarHBondContact CD1-ND2 3.12Å; F11-N15 WeakPolarHBondContact CE1-ND2 3.29Å; F11-N15 WeakPolarHBondContact O-CB 3.33Å; F11-N15 PolarHBondContact O-N 3.14Å; F11-N15 PolarHBondContact O-ND2 2.99Å; F11-N15 PolarHBondContact O-OD1 3.43Å; L12-N15 PolarHBondContact O-N 2.92Å; L13-N15 VanDerWaalsContact C-N 3.32Å; L13-N15 PolarHBondContact O-N 2.89Å; N15-S18 PolarHBondContact O-N 3.14Å; N15-A19 VanDerWaalsContact O-CB 3.31Å; N15-A19 WeakPolarHBondContact O-CB 3.33Å; N15-A19 PolarHBondContact O-N 3.2Å
16S84.6Confident81.7Confident34 Ų3452 Ų5224%0.23827%0.269CS..Hα-helixtrans-66-46.8177.5-550000111.3L12 L13 S18 A19 E20L12-S16 WeakPolarHBondContact O-CB 3.41Å; L12-S16 PolarHBondContact O-N 3.14Å; L12-S16 PolarHBondContact O-OG 3.1Å; L13-S16 PolarHBondContact O-N 3.4Å; S16-S18 PolarHBondContact O-N 2.67Å; S16-A19 PolarHBondContact O-N 2.88Å; S16-E20 PolarHBondContact O-N 2.87Å
17L81.7Confident80.4Confident5 Ų558.9 Ų58.93%0.02630%0.3CS..Hα-helixtrans-59.7-45.3173.3-83.2156.4000111.7L13 A19 E20 V21 V112 I115 L219L13-L17 HydrophobicContact CD1-CD1 4.18Å; L13-L17 HydrophobicContact CG-CD1 3.91Å; L13-L17 WeakPolarHBondContact O-CB 3.32Å; L13-L17 PolarHBondContact O-N 3.08Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.28Å; L17-E20 PolarHBondContact O-N 3.05Å; L17-V21 WeakPolarHBondContact O-CB 3.32Å; L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 3.36Å; L17-V112 HydrophobicContact CB-CG2 3.94Å; L17-I115 HydrophobicContact CD1-CD1 3.41Å; L17-I115 VanDerWaalsContact CD1-CD1 3.41Å; L17-L219 HydrophobicContact CD2-CD1 4.09Å; L17-L219 HydrophobicContact CD2-CD2 3.84Å; L17-L219 HydrophobicContact CG-CD1 4.19Å; L17-L219 HydrophobicContact CG-CD2 4.28Å
18S84.6Confident78.9Confident58 Ų5860 Ų6041%0.40630%0.302SS..Hα-helixtrans-63.2-39.6177.9-174.70000111.8R14 N15 S16 V21 S22R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 3.37Å; N15-S18 PolarHBondContact O-N 3.14Å; S16-S18 PolarHBondContact O-N 2.67Å; S18-V21 PolarHBondContact O-N 3.41Å; S18-S22 VanDerWaalsContact O-CB 3.31Å; S18-S22 WeakPolarHBondContact O-CB 3.3Å; S18-S22 PolarHBondContact O-N 3.18Å
19A83.2Confident77.3Confident49 Ų4957.1 Ų57.141%0.40530%0.301SS..Hα-helixtrans-62.4-49175.300000111.1N15 S16 L17 V21 S22 V23N15-A19 VanDerWaalsContact O-CB 3.31Å; N15-A19 WeakPolarHBondContact O-CB 3.33Å; N15-A19 PolarHBondContact O-N 3.2Å; S16-A19 PolarHBondContact O-N 2.88Å; L17-A19 VanDerWaalsContact C-N 3.33Å; L17-A19 PolarHBondContact O-N 3.28Å; A19-V21 PolarHBondContact O-N 2.93Å; A19-S22 PolarHBondContact O-N 3.02Å; A19-S22 VanDerWaalsContact O-N 3.15Å; A19-S22 PolarHBondContact O-OG 2.89Å; A19-V23 WeakPolarHBondContact O-CG2 3.48Å; A19-V23 PolarHBondContact O-N 3.26Å
20E77.4Confident75.6Confident51 Ų5161.3 Ų61.324%0.23832%0.32CS..Hα-helixtrans-57.1-51.8174.7-75.5-66.5140.700110.9S16 L17 S22 V23 F24 L219S16-E20 PolarHBondContact O-N 2.87Å; L17-E20 PolarHBondContact O-N 3.05Å; E20-S22 PolarHBondContact O-N 3.18Å; E20-V23 WeakPolarHBondContact O-CB 3.32Å; E20-V23 PolarHBondContact O-N 2.88Å; E20-F24 HydrophobicContact CB-CE2 4.45Å; E20-F24 WeakPolarHBondContact O-CD2 3.21Å; E20-F24 PolarHBondContact O-N 2.88Å; E20-L219 HydrophobicContact CG-CD2 4.24Å
21V77.1Confident73.9Confident19 Ų1969.8 Ų69.812%0.11536%0.357CS..Hα-helixtrans-56.3-37.2177.3173.20000111.8L17 S18 A19 F24 S25 I105 S108 Q109L17-V21 WeakPolarHBondContact O-CB 3.32Å; L17-V21 WeakPolarHBondContact O-CG2 3.46Å; L17-V21 PolarHBondContact O-N 3.36Å; S18-V21 PolarHBondContact O-N 3.41Å; A19-V21 PolarHBondContact O-N 2.93Å; V21-F24 PolarHBondContact O-N 3.42Å; V21-S25 PolarHBondContact O-N 3.3Å; V21-I105 HydrophobicContact CG1-CG2 4.32Å; V21-S108 WeakPolarHBondContact CG2-OG 3.39Å; V21-Q109 HydrophobicContact CG1-CG 4.37Å
22S78.3Confident72.6Confident44 Ų4467.4 Ų67.431%0.30835%0.351SS..Hα-helixtrans-70.6-31.6178.4800000113.6S18 A19 E20 F24 S25 R26S18-S22 VanDerWaalsContact O-CB 3.31Å; S18-S22 WeakPolarHBondContact O-CB 3.3Å; S18-S22 PolarHBondContact O-N 3.18Å; A19-S22 PolarHBondContact O-N 3.02Å; A19-S22 VanDerWaalsContact O-N 3.15Å; A19-S22 PolarHBondContact O-OG 2.89Å; E20-S22 PolarHBondContact O-N 3.18Å; S22-F24 VanDerWaalsContact C-N 3.32Å; S22-S25 WeakPolarHBondContact CA-OG 3.49Å; S22-S25 PolarHBondContact O-OG 3.2Å; S22-S25 VanDerWaalsContact O-OG 3.04Å; S22-R26 WeakPolarHBondContact O-CG 3.32Å; S22-R26 PolarHBondContact O-N 2.97Å
23V72.5Confident71Confident71 Ų7175.8 Ų75.843%0.4338%0.38SS..Hα-helixtrans-66.5-39.6174.3172.90000110.1A19 E20 H27A19-V23 WeakPolarHBondContact O-CG2 3.48Å; A19-V23 PolarHBondContact O-N 3.26Å; E20-V23 WeakPolarHBondContact O-CB 3.32Å; E20-V23 PolarHBondContact O-N 2.88Å; V23-H27 PolarHBondContact O-N 3.38Å; V23-H27 PolarHBondContact O-ND1 3.44Å
24F63.9Low69.5Low56 Ų5681.9 Ų81.925%0.24641%0.408CS..Hα-helixtrans-69.9-43.2175.6-67.1-71.4000112.5E20 V21 S22 R26 H27 Q28 C222 F225E20-F24 HydrophobicContact CB-CE2 4.45Å; E20-F24 WeakPolarHBondContact O-CD2 3.21Å; E20-F24 PolarHBondContact O-N 2.88Å; V21-F24 PolarHBondContact O-N 3.42Å; S22-F24 VanDerWaalsContact C-N 3.32Å; F24-R26 PolarHBondContact O-N 3.3Å; F24-H27 PolarHBondContact O-N 3.22Å; F24-H27 VanDerWaalsContact O-N 3.09Å; F24-Q28 PolarHBondContact O-N 3.48Å; F24-C222 HydrophobicContact CE2-CB 4.35Å; F24-C222 HydrophobicContact CZ-CB 4.12Å; F24-C222 VanDerWaalsContact CZ-O 3.22Å; F24-C222 WeakPolarHBondContact CZ-O 3.17Å; F24-F225 HydrophobicContact CE1-CB 4.41Å; F24-F225 HydrophobicContact CE2-CD2 4.47Å; F24-F225 HydrophobicContact CZ-CD2 4.24Å
25S67.1Low68.1Low57 Ų5780.7 Ų80.740%0.39941%0.407SS..Hα-helixtrans-61.8-31.2179.174.40000112.4V21 S22 Q28V21-S25 PolarHBondContact O-N 3.3Å; S22-S25 WeakPolarHBondContact CA-OG 3.49Å; S22-S25 PolarHBondContact O-OG 3.2Å; S22-S25 VanDerWaalsContact O-OG 3.04Å; S25-Q28 PolarHBondContact O-N 2.92Å
26R63.4Low66.7Low196 Ų19683.9 Ų83.974%0.7442%0.418SS*.Hα-helixtrans-68.2-40.1173.2-77.2179.1-178.7169.72.6113.3S22 F24 Q28S22-R26 WeakPolarHBondContact O-CG 3.32Å; S22-R26 PolarHBondContact O-N 2.97Å; F24-R26 PolarHBondContact O-N 3.3Å; R26-Q28 VanDerWaalsContact C-N 3.29Å
27H59Low65.4Low154 Ų15486.8 Ų86.871%0.71343%0.426SS*.Hα-helixtrans-68.8-31.8176.1-83.878.2000111.9V23 F24 S29V23-H27 PolarHBondContact O-N 3.38Å; V23-H27 PolarHBondContact O-ND1 3.44Å; F24-H27 PolarHBondContact O-N 3.22Å; F24-H27 VanDerWaalsContact O-N 3.09Å; H27-S29 VanDerWaalsContact C-N 3.32Å; H27-S29 PolarHBondContact O-N 2.9Å
28Q56Low64.1Low70 Ų7087.8 Ų87.833%0.32744%0.435SS..THydrogen-bonded Turntrans-9537.4-174.7-144.4179.638.600113.3F24 S25 R26 M30 S101F24-Q28 PolarHBondContact O-N 3.48Å; S25-Q28 PolarHBondContact O-N 2.92Å; R26-Q28 VanDerWaalsContact C-N 3.29Å; Q28-M30 PolarHBondContact O-N 3.26Å; Q28-S101 VanDerWaalsContact CD-O 3.3Å; Q28-S101 PolarHBondContact NE2-O 2.69Å; Q28-S101 PolarHBondContact OE1-O 3.16Å
29S56Low62.9Low63 Ų6385.9 Ų85.944%0.44142%0.419SS..  trans-57118.2173.371.50000109.4H27 F31 S32 N35H27-S29 VanDerWaalsContact C-N 3.32Å; H27-S29 PolarHBondContact O-N 2.9Å; S29-F31 PolarHBondContact O-N 3.41Å; S29-S32 WeakPolarHBondContact O-CB 3.43Å; S29-S32 PolarHBondContact O-N 2.97Å; S29-N35 PolarHBondContact O-ND2 3.24Å
30M52.8Low61.7Low96 Ų9690.7 Ų90.747%0.47343%0.431SS..THydrogen-bonded Turntrans-54.3-23.5-170.8-164-175.7-58.600113.2Q28 Y98Q28-M30 PolarHBondContact O-N 3.26Å; M30-Y98 HydrophobicContact CE-CD2 3.21Å; M30-Y98 HydrophobicContact CE-CE2 3.19Å; M30-Y98 HydrophobicContact CE-CG 4.29Å; M30-Y98 HydrophobicContact SD-CD2 4.1Å
31F53.4Low60.5Low187 Ų18792 Ų9282%0.8244%0.437SS*.THydrogen-bonded Turntrans-109.914-176.9-68.5-81000114.8S29 W33S29-F31 PolarHBondContact O-N 3.41Å; F31-W33 PolarHBondContact O-N 3.44Å
32S60.3Low59Low31 Ų3196.2 Ų96.222%0.21747%0.467CS..  trans-58132.8168.8164.20000110.4S29 E34 N35 F36S29-S32 WeakPolarHBondContact O-CB 3.43Å; S29-S32 PolarHBondContact O-N 2.97Å; S32-E34 PolarHBondContact O-N 2.66Å; S32-E34 PolarHBondContact OG-N 3.04Å; S32-N35 WeakPolarHBondContact O-CB 3.37Å; S32-N35 PolarHBondContact O-N 2.99Å; S32-F36 PolarHBondContact O-N 3.45Å
33W55.6Low57.4Low216 Ų21696.8 Ų96.882%0.81847%0.47SS*.Hα-helixtrans-58-22.2177.4-136.164.2000112.6F31 F36 K37F31-W33 PolarHBondContact O-N 3.44Å; W33-F36 WeakPolarHBondContact O-CB 3.43Å; W33-F36 PolarHBondContact O-N 2.88Å; W33-K37 PolarHBondContact O-N 3.16Å
34E57.1Low56Low133 Ų13399.8 Ų99.862%0.62148%0.484SS*.Hα-helixtrans-71.5-33.4174.2-60-162.3134.100112.9S32 F36 K37S32-E34 PolarHBondContact O-N 2.66Å; S32-E34 PolarHBondContact OG-N 3.04Å; E34-F36 PolarHBondContact O-N 2.7Å; E34-K37 VanDerWaalsContact O-CB 3.25Å; E34-K37 WeakPolarHBondContact O-CB 3.37Å; E34-K37 PolarHBondContact O-N 3.07Å
35N58.1Low55.1Low41 Ų4198.3 Ų98.322%0.21949%0.485CS..Hα-helixtrans-69.1-27.9173.3-68-23.9000111.2S29 S32 K37 A38 F97S29-N35 PolarHBondContact O-ND2 3.24Å; S32-N35 WeakPolarHBondContact O-CB 3.37Å; S32-N35 PolarHBondContact O-N 2.99Å; N35-K37 PolarHBondContact O-N 2.97Å; N35-A38 WeakPolarHBondContact O-CB 3.14Å; N35-A38 PolarHBondContact O-N 3.17Å; N35-F97 HydrophobicContact CB-CE1 4.45Å; N35-F97 HydrophobicContact CB-CZ 4.09Å
36F58.8Low54Low130 Ų13096.6 Ų96.657%0.5747%0.473SS*.Hα-helixtrans-67-26.2171.1-127.4-86.8000112.6S32 W33 E34 A38 F39 I51S32-F36 PolarHBondContact O-N 3.45Å; W33-F36 WeakPolarHBondContact O-CB 3.43Å; W33-F36 PolarHBondContact O-N 2.88Å; E34-F36 PolarHBondContact O-N 2.7Å; F36-A38 PolarHBondContact O-N 3.35Å; F36-F39 PolarHBondContact O-N 3.08Å; F36-I51 HydrophobicContact CD1-CD1 4.06Å; F36-I51 HydrophobicContact CE1-CD1 4.05Å
37K57.6Low53.6Low96 Ų9688 Ų8842%0.41744%0.441SS..Hα-helixtrans-66.7-23.1170.7-61.1175.6-177.8165.40111.9W33 E34 N35 F39 K40 C43W33-K37 PolarHBondContact O-N 3.16Å; E34-K37 VanDerWaalsContact O-CB 3.25Å; E34-K37 WeakPolarHBondContact O-CB 3.37Å; E34-K37 PolarHBondContact O-N 3.07Å; N35-K37 PolarHBondContact O-N 2.97Å; K37-F39 PolarHBondContact O-N 3.49Å; K37-K40 WeakPolarHBondContact O-CA 3.35Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.41Å; K37-C43 WeakPolarHBondContact O-CB 3.43Å
38A54.6Low53.4Low25 Ų2582.3 Ų82.321%0.20742%0.417CS..Hα-helixtrans-62.3-30.2174.600000112.3N35 F36 K40 F97N35-A38 WeakPolarHBondContact O-CB 3.14Å; N35-A38 PolarHBondContact O-N 3.17Å; F36-A38 PolarHBondContact O-N 3.35Å; A38-K40 VanDerWaalsContact C-N 3.27Å; A38-K40 PolarHBondContact O-N 3.48Å; A38-F97 HydrophobicContact CB-CE2 4.19Å
39F59.4Low53.6Low19 Ų1980.6 Ų80.68%0.08341%0.407CS..THydrogen-bonded Turntrans-83.4-1.9173.5-62.9-79.6000113.4F36 K37 Y49 I51 L94 F97F36-F39 PolarHBondContact O-N 3.08Å; K37-F39 PolarHBondContact O-N 3.49Å; F39-Y49 HydrophobicContact CD1-CD1 4.32Å; F39-I51 HydrophobicContact CB-CD1 3.71Å; F39-I51 HydrophobicContact CB-CG1 3.79Å; F39-I51 WeakPolarHBondContact O-CG1 3.06Å; F39-I51 PolarHBondContact O-N 2.9Å; F39-L94 HydrophobicContact CE2-CD2 4.28Å; F39-L94 HydrophobicContact CZ-CD2 3.91Å; F39-F97 HydrophobicContact CZ-CB 4.24Å; F39-F97 HydrophobicContact CZ-CD2 4.46Å; F39-F97 HydrophobicContact CZ-CG 4.16Å
40K56.8Low54.3Low150 Ų15078 Ų7865%0.65239%0.389SS*.SBendtrans-91.3143.5175.3-155.5173.7-175.8176.70108.8K37 A38 S42 C43K37-K40 WeakPolarHBondContact O-CA 3.35Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.41Å; A38-K40 VanDerWaalsContact C-N 3.27Å; A38-K40 PolarHBondContact O-N 3.48Å; K40-S42 PolarHBondContact O-N 2.88Å; K40-C43 PolarHBondContact O-N 3.44Å
41H52.6Low55.4Low79 Ų7976.8 Ų76.837%0.36638%0.384SS..THydrogen-bonded Turntrans-50.3-1-169.2-152.4-42.9000117.8E246 K247H41-E246 IonicContact CD2-OE1 3.16Å; H41-E246 PolarHBondContact CD2-OE1 2.99Å; H41-E246 IonicContact CD2-OE2 3.85Å; H41-E246 IonicContact CE1-OE2 3.17Å; H41-E246 IonicContact NE2-OE1 3.42Å; H41-E246 PolarHBondContact NE2-OE1 3.29Å; H41-E246 VanDerWaalsContact NE2-OE1 3.17Å; H41-E246 IonicContact NE2-OE2 3.9Å; H41-E246 PolarHBondContact NE2-OE2 3.28Å; H41-E246 VanDerWaalsContact NE2-OE2 3.16Å; H41-K247 VanDerWaalsContact CE1-CE 3.41Å; H41-K247 WeakPolarHBondContact CE1-CE 3.39Å
42S46Very low56.5Low106 Ų10669.3 Ų69.374%0.74136%0.357SS*.THydrogen-bonded Turntrans-122.7-9-169.2-1790000115K40K40-S42 PolarHBondContact O-N 2.88Å
43C43.7Very low57.3Low56 Ų5667.9 Ų67.938%0.37835%0.347SS..  trans-105.299.8-171.8-70.90000110.6K37 K40 G45K37-C43 WeakPolarHBondContact O-CB 3.43Å; K40-C43 PolarHBondContact O-N 3.44Å; C43-G45 PolarHBondContact O-N 3.27Å; C43-G45 VanDerWaalsContact O-N 3.09Å
44N44.5Very low58.4Low134 Ų13457.7 Ų57.772%0.71731%0.309SS*.THydrogen-bonded Turntrans-38.5110.6167.6-76-13.8000111.2I230N44-I230 HydrophobicContact CB-CD1 3.47Å; N44-I230 VanDerWaalsContact CB-CD1 3.47Å; N44-I230 HydrophobicContact CB-CG1 4.36Å
45G44.8Very low59.7Low26 Ų2654.5 Ų54.527%0.26830%0.301SS..THydrogen-bonded Turntrans143.2-7.3155.400000119.7C43C43-G45 PolarHBondContact O-N 3.27Å; C43-G45 VanDerWaalsContact O-N 3.09Å
46C44.1Very low60.9Low20 Ų2055.4 Ų55.414%0.13531%0.306CS..  trans-150.8105171.8-102.80000116.9F97C46-F97 HydrophobicContact CB-CD2 3.52Å; C46-F97 HydrophobicContact CB-CE2 4.06Å; C46-F97 VanDerWaalsContact SG-CD2 3.53Å
47Q54.5Low62Low17 Ų1749.4 Ų49.48%0.07928%0.28CS..  74.590.2122.5-65.4179.419.800119Y49 A93 V96 C100Q47-Y49 PolarHBondContact O-N 3.46Å; Q47-A93 PolarHBondContact OE1-O 3.42Å; Q47-V96 HydrophobicContact CG-CG1 4.44Å; Q47-V96 VanDerWaalsContact NE2-C 3.26Å; Q47-V96 PolarHBondContact NE2-O 3.28Å; Q47-C100 PolarHBondContact NE2-SG 3.12Å
48V54.9Low63.4Low33 Ų3348.3 Ų48.320%0.228%0.278CS..SBendtrans58.1-17.4140.9-150.70000117.7Y237 S294 P296V48-Y237 HydrophobicContact CB-CE1 4.33Å; V48-Y237 HydrophobicContact CG1-CE1 3.88Å; V48-Y237 HydrophobicContact CG1-CE2 4.23Å; V48-Y237 WeakPolarHBondContact CG1-OH 2.99Å; V48-S294 CarbonylContact O-C 3.38Å; V48-S294 VanDerWaalsContact O-O 3.05Å; V48-P296 HydrophobicContact CB-CB 3.86Å; V48-P296 HydrophobicContact CB-CG 3.77Å; V48-P296 HydrophobicContact CG1-CB 3.89Å; V48-P296 VanDerWaalsContact CG1-CD 3.47Å; V48-P296 HydrophobicContact CG1-CG 3.98Å; V48-P296 HydrophobicContact CG2-CB 4.32Å
49Y60Low65Low34 Ų3451.9 Ų51.913%0.13329%0.293CS..  trans-125.9102.3-174-173.8-98.1000108.9F39 Q47 G54 L86 N89 T90 A93F39-Y49 HydrophobicContact CD1-CD1 4.32Å; Q47-Y49 PolarHBondContact O-N 3.46Å; Y49-G54 WeakPolarHBondContact OH-CA 3.26Å; Y49-L86 HydrophobicContact CE2-CD1 3.94Å; Y49-N89 VanDerWaalsContact CD2-ND2 3.29Å; Y49-N89 WeakPolarHBondContact CD2-ND2 3.49Å; Y49-T90 HydrophobicContact CE1-CG2 4.32Å; Y49-T90 PolarHBondContact OH-OG1 2.92Å; Y49-A93 HydrophobicContact CG-CB 4.33Å
50C71.1Confident66.2Low9 Ų951.3 Ų51.36%0.06129%0.292CS..  trans-92.7137.1170.3168.40000108.9A52 Y53 G54 H242C50-A52 PolarHBondContact O-N 3.49Å; C50-A52 VanDerWaalsContact O-N 3.12Å; C50-A52 VanDerWaalsContact SG-CB 3.53Å; C50-A52 PolarHBondContact SG-N 3.27Å; C50-A52 VanDerWaalsContact SG-N 3.39Å; C50-Y53 HydrophobicContact CB-CD2 4.01Å; C50-Y53 PolarHBondContact O-N 2.93Å; C50-G54 PolarHBondContact O-N 3.02Å; C50-H242 VanDerWaalsContact CB-CE1 3.5Å; C50-H242 WeakPolarHBondContact CB-CE1 3.27Å
51I75.1Confident67.6Low70 Ų7044.2 Ų44.236%0.35926%0.261SS..Hα-helixtrans-54.1-34.4177.2-66.8164.9000111F36 F39 G54 S55F36-I51 HydrophobicContact CD1-CD1 4.06Å; F36-I51 HydrophobicContact CE1-CD1 4.05Å; F39-I51 HydrophobicContact CB-CD1 3.71Å; F39-I51 HydrophobicContact CB-CG1 3.79Å; F39-I51 WeakPolarHBondContact O-CG1 3.06Å; F39-I51 PolarHBondContact O-N 2.9Å; I51-G54 PolarHBondContact O-N 3.35Å; I51-S55 WeakPolarHBondContact O-CB 3.46Å; I51-S55 PolarHBondContact O-N 3.28Å; I51-S55 PolarHBondContact O-OG 3.23Å
52A76Confident69.3Low30 Ų3044.6 Ų44.625%0.24826%0.264CS..Hα-helixtrans-60.2-52.9176.100000111.2C50 G54 S55 L56 E246C50-A52 PolarHBondContact O-N 3.49Å; C50-A52 VanDerWaalsContact O-N 3.12Å; C50-A52 VanDerWaalsContact SG-CB 3.53Å; C50-A52 PolarHBondContact SG-N 3.27Å; C50-A52 VanDerWaalsContact SG-N 3.39Å; A52-G54 PolarHBondContact O-N 2.9Å; A52-S55 PolarHBondContact O-N 3.49Å; A52-S55 PolarHBondContact O-OG 2.95Å; A52-L56 WeakPolarHBondContact O-CB 3.49Å; A52-L56 WeakPolarHBondContact O-CD1 3.46Å; A52-L56 WeakPolarHBondContact O-CG 3.29Å; A52-L56 PolarHBondContact O-N 3.12Å; A52-E246 WeakPolarHBondContact CB-OE1 3.41Å
53Y77.7Confident71.1Confident1 Ų141.2 Ų41.20%0.00424%0.237CC..Hα-helixtrans-59.8-44.5175.6-83.9-83.8000112.2C50 S55 L56 T57 L241 E246 L291 S294C50-Y53 HydrophobicContact CB-CD2 4.01Å; C50-Y53 PolarHBondContact O-N 2.93Å; Y53-S55 PolarHBondContact O-N 3.37Å; Y53-L56 PolarHBondContact O-N 3.34Å; Y53-T57 WeakPolarHBondContact O-CG2 3.36Å; Y53-T57 PolarHBondContact O-N 3.4Å; Y53-T57 PolarHBondContact O-OG1 3.41Å; Y53-T57 VanDerWaalsContact O-OG1 3.14Å; Y53-L241 HydrophobicContact CE2-CD2 4.04Å; Y53-L241 HydrophobicContact CE2-CG 4.14Å; Y53-L241 PolarHBondContact OH-O 3.07Å; Y53-E246 HydrophobicContact CD2-CG 4.47Å; Y53-E246 HydrophobicContact CE2-CB 3.68Å; Y53-E246 HydrophobicContact CE2-CG 3.77Å; Y53-E246 VanDerWaalsContact CE2-OE2 3.26Å; Y53-E246 WeakPolarHBondContact CE2-OE2 3.48Å; Y53-E246 WeakPolarHBondContact OH-CA 3.34Å; Y53-E246 WeakPolarHBondContact OH-CB 3.06Å; Y53-E246 PolarHBondContact OH-N 3.21Å; Y53-E246 VanDerWaalsContact OH-N 3.13Å; Y53-L291 HydrophobicContact CD1-CD2 3.69Å; Y53-L291 HydrophobicContact CE1-CD2 4.08Å; Y53-S294 WeakPolarHBondContact CB-OG 3.3Å
54G79.7Confident73.1Confident3 Ų338.8 Ų38.83%0.03122%0.22CC..Hα-helixtrans-56.3-47.9175.200000112.6Y49 C50 I51 A52 T57 L58Y49-G54 WeakPolarHBondContact OH-CA 3.26Å; C50-G54 PolarHBondContact O-N 3.02Å; I51-G54 PolarHBondContact O-N 3.35Å; A52-G54 PolarHBondContact O-N 2.9Å; G54-T57 WeakPolarHBondContact CA-OG1 3.36Å; G54-T57 PolarHBondContact O-N 2.86Å; G54-T57 PolarHBondContact O-OG1 3.34Å; G54-L58 WeakPolarHBondContact O-CB 3.49Å; G54-L58 PolarHBondContact O-N 3.03Å
55S83Confident75.1Confident66 Ų6634.7 Ų34.746%0.46220%0.198SC..Hα-helixtrans-65.5-39.8178.8690000113.1I51 A52 Y53 L58 L59I51-S55 WeakPolarHBondContact O-CB 3.46Å; I51-S55 PolarHBondContact O-N 3.28Å; I51-S55 PolarHBondContact O-OG 3.23Å; A52-S55 PolarHBondContact O-N 3.49Å; A52-S55 PolarHBondContact O-OG 2.95Å; Y53-S55 PolarHBondContact O-N 3.37Å; S55-L58 PolarHBondContact O-N 3.12Å; S55-L59 PolarHBondContact O-N 3.01Å
56L83.2Confident77Confident60 Ų6037.8 Ų37.831%0.31421%0.211SC..Hα-helixtrans-67-40.4175.9-79155.5000111.7A52 Y53 L59 S60 L250 L291A52-L56 WeakPolarHBondContact O-CB 3.49Å; A52-L56 WeakPolarHBondContact O-CD1 3.46Å; A52-L56 WeakPolarHBondContact O-CG 3.29Å; A52-L56 PolarHBondContact O-N 3.12Å; Y53-L56 PolarHBondContact O-N 3.34Å; L56-L59 WeakPolarHBondContact O-CB 3.43Å; L56-L59 PolarHBondContact O-N 3.07Å; L56-S60 PolarHBondContact O-N 3.38Å; L56-S60 PolarHBondContact O-OG 3.28Å; L56-L250 HydrophobicContact CD1-CD2 3.85Å; L56-L291 HydrophobicContact CB-CD1 4.17Å; L56-L291 HydrophobicContact CB-CD2 3.73Å; L56-L291 HydrophobicContact CD1-CD2 4.26Å
57T83Confident78.7Confident4 Ų437.5 Ų37.53%0.02521%0.208CC..Hα-helixtrans-65.9-38.3173.854.50000112.2Y53 G54 L59 S60 V61 L86 L291Y53-T57 WeakPolarHBondContact O-CG2 3.36Å; Y53-T57 PolarHBondContact O-N 3.4Å; Y53-T57 PolarHBondContact O-OG1 3.41Å; Y53-T57 VanDerWaalsContact O-OG1 3.14Å; G54-T57 WeakPolarHBondContact CA-OG1 3.36Å; G54-T57 PolarHBondContact O-N 2.86Å; G54-T57 PolarHBondContact O-OG1 3.34Å; T57-L59 VanDerWaalsContact C-N 3.33Å; T57-S60 WeakPolarHBondContact O-CB 3.29Å; T57-S60 PolarHBondContact O-N 2.88Å; T57-V61 WeakPolarHBondContact O-CG2 3.29Å; T57-V61 PolarHBondContact O-N 2.9Å; T57-L86 VanDerWaalsContact OG1-CD1 3.23Å; T57-L86 WeakPolarHBondContact OG1-CD1 3.48Å; T57-L291 HydrophobicContact CG2-CB 3.61Å; T57-L291 HydrophobicContact CG2-CD1 4.07Å; T57-L291 HydrophobicContact CG2-CG 4.31Å
58L87.6Confident79.8Confident72 Ų7236.9 Ų36.938%0.37721%0.207SC..Hα-helixtrans-64-40175.1-173.567.7000111.2G54 S55 S60 V61 M62 F83 L86G54-L58 WeakPolarHBondContact O-CB 3.49Å; G54-L58 PolarHBondContact O-N 3.03Å; S55-L58 PolarHBondContact O-N 3.12Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.5Å; L58-V61 WeakPolarHBondContact O-CB 3.26Å; L58-V61 PolarHBondContact O-N 3.33Å; L58-M62 HydrophobicContact CD1-CE 3.95Å; L58-M62 WeakPolarHBondContact O-CG 3.43Å; L58-M62 PolarHBondContact O-N 3.35Å; L58-F83 HydrophobicContact CD1-CD2 4.43Å; L58-F83 HydrophobicContact CD1-CE2 4.36Å; L58-L86 HydrophobicContact CB-CD2 3.98Å; L58-L86 HydrophobicContact CD1-CD2 4.05Å
59L87Confident81Confident100 Ų10039.3 Ų39.352%0.52423%0.225SC..Hα-helixtrans-59.6-45.4173.3-177.764.9000111.1S55 L56 T57 V61 M62 I63S55-L59 PolarHBondContact O-N 3.01Å; L56-L59 WeakPolarHBondContact O-CB 3.43Å; L56-L59 PolarHBondContact O-N 3.07Å; T57-L59 VanDerWaalsContact C-N 3.33Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 2.62Å; L59-M62 PolarHBondContact O-N 3.29Å; L59-I63 HydrophobicContact CD1-CD1 4.44Å; L59-I63 HydrophobicContact CG-CD1 4.05Å; L59-I63 VanDerWaalsContact O-CG1 3.3Å; L59-I63 WeakPolarHBondContact O-CG1 3.28Å; L59-I63 PolarHBondContact O-N 3.16Å
60S84.6Confident81.6Confident8 Ų843.4 Ų43.46%0.05625%0.249CC..Hα-helixtrans-61.6-38174.9-62.20000112.8L56 T57 L58 I63 L64L56-S60 PolarHBondContact O-N 3.38Å; L56-S60 PolarHBondContact O-OG 3.28Å; T57-S60 WeakPolarHBondContact O-CB 3.29Å; T57-S60 PolarHBondContact O-N 2.88Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.5Å; S60-I63 PolarHBondContact O-N 3.38Å; S60-L64 WeakPolarHBondContact O-CG 3.3Å; S60-L64 PolarHBondContact O-N 2.94Å
61V87.5Confident81.6Confident0 Ų047.6 Ų47.60%027%0.268CS..Hα-helixtrans-60.1-49.3173.1168.50000110.6T57 L58 L59 I63 L64 I65 L82 F83T57-V61 WeakPolarHBondContact O-CG2 3.29Å; T57-V61 PolarHBondContact O-N 2.9Å; L58-V61 WeakPolarHBondContact O-CB 3.26Å; L58-V61 PolarHBondContact O-N 3.33Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 2.62Å; V61-I63 VanDerWaalsContact C-N 3.33Å; V61-I63 PolarHBondContact O-N 2.98Å; V61-L64 PolarHBondContact O-N 2.98Å; V61-I65 HydrophobicContact CG1-CD1 3.59Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CG1 3.39Å; V61-I65 PolarHBondContact O-N 3.37Å; V61-L82 HydrophobicContact CG2-CB 3.94Å; V61-L82 HydrophobicContact CG2-CD2 3.65Å; V61-L82 HydrophobicContact CG2-CG 3.54Å; V61-F83 HydrophobicContact CG1-CB 3.81Å; V61-F83 HydrophobicContact CG1-CD2 4.11Å; V61-F83 HydrophobicContact CG1-CG 4.36Å; V61-F83 HydrophobicContact CG2-CB 4.35Å
62M87.9Confident81.4Confident88 Ų8845.5 Ų45.543%0.43326%0.26SS..Hα-helixtrans-61.3-43-179.1-67.1-60.6131.200111.5L58 L59 L64 I65 V66L58-M62 HydrophobicContact CD1-CE 3.95Å; L58-M62 WeakPolarHBondContact O-CG 3.43Å; L58-M62 PolarHBondContact O-N 3.35Å; L59-M62 PolarHBondContact O-N 3.29Å; M62-L64 PolarHBondContact O-N 3.48Å; M62-I65 PolarHBondContact O-N 3.32Å; M62-V66 WeakPolarHBondContact O-CB 3.49Å; M62-V66 VanDerWaalsContact O-CG2 3.26Å; M62-V66 WeakPolarHBondContact O-CG2 3.43Å; M62-V66 PolarHBondContact O-N 2.86Å
63I84.4Confident81.5Confident35 Ų3550.2 Ų50.218%0.17928%0.28CS..Hα-helixtrans-59.6-47.2176.3-68.1165.8000110.9L59 S60 V61 N67 V281L59-I63 HydrophobicContact CD1-CD1 4.44Å; L59-I63 HydrophobicContact CG-CD1 4.05Å; L59-I63 VanDerWaalsContact O-CG1 3.3Å; L59-I63 WeakPolarHBondContact O-CG1 3.28Å; L59-I63 PolarHBondContact O-N 3.16Å; S60-I63 PolarHBondContact O-N 3.38Å; V61-I63 VanDerWaalsContact C-N 3.33Å; V61-I63 PolarHBondContact O-N 2.98Å; I63-N67 WeakPolarHBondContact O-CB 3.31Å; I63-N67 PolarHBondContact O-N 2.89Å; I63-V281 HydrophobicContact CG2-CG2 3.92Å
64L83.7Confident81.5Confident4 Ų456.8 Ų56.82%0.02131%0.306CS..Hα-helixtrans-66.2-40.4-179.4-72.8173.1000112.8S60 V61 M62 G68 L82 A886S60-L64 WeakPolarHBondContact O-CG 3.3Å; S60-L64 PolarHBondContact O-N 2.94Å; V61-L64 PolarHBondContact O-N 2.98Å; M62-L64 PolarHBondContact O-N 3.48Å; L64-G68 WeakPolarHBondContact O-CA 3.42Å; L64-G68 PolarHBondContact O-N 3.35Å; L64-L82 HydrophobicContact CD1-CD2 4.23Å; L64-A886 HydrophobicContact CD1-CB 4.43Å; L64-A886 HydrophobicContact CD2-CB 3.59Å
65I87.1Confident81.5Confident48 Ų4856.7 Ų56.725%0.24631%0.305CS..Hα-helixtrans-67.1-45.9178.7-68.7174.9000111V61 M62 G68 S69 L76V61-I65 HydrophobicContact CG1-CD1 3.59Å; V61-I65 HydrophobicContact CG1-CG1 4.3Å; V61-I65 WeakPolarHBondContact O-CG1 3.39Å; V61-I65 PolarHBondContact O-N 3.37Å; M62-I65 PolarHBondContact O-N 3.32Å; I65-G68 PolarHBondContact O-N 2.9Å; I65-S69 WeakPolarHBondContact O-CB 3.47Å; I65-S69 PolarHBondContact O-N 3.48Å; I65-S69 PolarHBondContact O-OG 2.9Å; I65-L76 HydrophobicContact CB-CD1 4.37Å; I65-L76 HydrophobicContact CG1-CD1 4.44Å; I65-L76 HydrophobicContact CG2-CD1 3.91Å
66V84.9Confident81.7Confident91 Ų9155.9 Ų55.955%0.55230%0.295SS*.Hα-helixtrans-62.9-47.6178.9172.40000110.4M62 S69 L70M62-V66 WeakPolarHBondContact O-CB 3.49Å; M62-V66 VanDerWaalsContact O-CG2 3.26Å; M62-V66 WeakPolarHBondContact O-CG2 3.43Å; M62-V66 PolarHBondContact O-N 2.86Å; V66-S69 PolarHBondContact O-N 3.14Å; V66-L70 HydrophobicContact CG1-CD1 4.23Å; V66-L70 PolarHBondContact O-N 2.92Å
67N79Confident81.8Confident14 Ų1456.5 Ų56.58%0.07530%0.304CS..Hα-helixtrans-65.4-42178.5-170.761.6000112.4I63 S69 L70 H71 D75 V281I63-N67 WeakPolarHBondContact O-CB 3.31Å; I63-N67 PolarHBondContact O-N 2.89Å; N67-S69 VanDerWaalsContact C-N 3.29Å; N67-S69 PolarHBondContact O-N 3.43Å; N67-L70 PolarHBondContact O-N 2.84Å; N67-H71 PolarHBondContact O-N 3.2Å; N67-D75 PolarHBondContact ND2-OD2 3.28Å; N67-V281 HydrophobicContact CB-CG2 3.49Å; N67-V281 VanDerWaalsContact CB-CG2 3.49Å; N67-V281 WeakPolarHBondContact ND2-CG2 3.12Å
68G77.8Confident82Confident5 Ų556.5 Ų56.55%0.05230%0.304CS..Hα-helixtrans-65.1-33.3-179.800000113.3L64 I65 L70 A72L64-G68 WeakPolarHBondContact O-CA 3.42Å; L64-G68 PolarHBondContact O-N 3.35Å; I65-G68 PolarHBondContact O-N 2.9Å; G68-L70 VanDerWaalsContact C-N 3.29Å; G68-L70 PolarHBondContact O-N 3.41Å; G68-A72 WeakPolarHBondContact CA-O 3.3Å; G68-A72 CarbonylContact O-C 3.57Å; G68-A72 PolarHBondContact O-N 2.73Å
69S80.6Confident82Confident83 Ų8353 Ų5358%0.5829%0.286SS*.Hα-helixtrans-68.8-27.8175.9-57.20000112.9I65 V66 N67I65-S69 WeakPolarHBondContact O-CB 3.47Å; I65-S69 PolarHBondContact O-N 3.48Å; I65-S69 PolarHBondContact O-OG 2.9Å; V66-S69 PolarHBondContact O-N 3.14Å; N67-S69 VanDerWaalsContact C-N 3.29Å; N67-S69 PolarHBondContact O-N 3.43Å
70L74Confident82.1Confident121 Ų12152.3 Ų52.363%0.63428%0.281SS*.Hα-helixtrans-92.3-34.9-178.6-70.9163.1000112.8V66 N67 G68V66-L70 HydrophobicContact CG1-CD1 4.23Å; V66-L70 PolarHBondContact O-N 2.92Å; N67-L70 PolarHBondContact O-N 2.84Å; G68-L70 VanDerWaalsContact C-N 3.29Å; G68-L70 PolarHBondContact O-N 3.41Å
71H69.2Low82.3Confident97 Ų9757.6 Ų57.645%0.44930%0.3SS..THydrogen-bonded Turntrans-132.3-39.7-163.3-64.8-39.8000115.9N67 Y274N67-H71 PolarHBondContact O-N 3.2Å; H71-Y274 AromaticContact CE1-CD1 3.88Å; H71-Y274 AromaticContact CE1-CE1 3.41Å; H71-Y274 VanDerWaalsContact CE1-CE1 3.41Å; H71-Y274 WeakPolarHBondContact CE1-CE1 3.22Å; H71-Y274 AromaticContact NE2-CD1 3.65Å; H71-Y274 AromaticContact NE2-CE1 3.58Å
72A70.9Confident82.3Confident25 Ų2557.7 Ų57.721%0.20730%0.301CS..  trans-147.6112.1-168.400000113G68 Y74 D75 L76G68-A72 WeakPolarHBondContact CA-O 3.3Å; G68-A72 CarbonylContact O-C 3.57Å; G68-A72 PolarHBondContact O-N 2.73Å; A72-Y74 PolarHBondContact O-N 3.01Å; A72-Y74 VanDerWaalsContact O-N 3.12Å; A72-D75 HydrophobicContact CB-CB 4.32Å; A72-D75 PolarHBondContact O-N 3.32Å; A72-L76 PolarHBondContact O-N 3.4Å
73I78.8Confident82.4Confident130 Ų13057.8 Ų57.867%0.66730%0.299SS*.Hα-helixtrans-54.2-35.4178-64.5170.6000111.8D75 L76 C77I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3.42Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 2.94Å; I73-C77 PolarHBondContact O-N 3.19Å; I73-C77 PolarHBondContact O-SG 3.47Å; I73-C77 VanDerWaalsContact O-SG 3.42Å
74Y78.3Confident82.6Confident138 Ų13860.1 Ų60.154%0.54131%0.311SS..Hα-helixtrans-64-35.6178.1-61.5-64.3000113.5A72 L76 A78A72-Y74 PolarHBondContact O-N 3.01Å; A72-Y74 VanDerWaalsContact O-N 3.12Å; Y74-L76 VanDerWaalsContact C-N 3.34Å; Y74-A78 WeakPolarHBondContact O-CB 3.35Å; Y74-A78 PolarHBondContact O-N 3.4Å
75D80Confident82.6Confident2 Ų260.5 Ų60.51%0.01131%0.313CS..Hα-helixtrans-72.9-31.5177-70.2-16.6000110.4N67 A72 I73 A78 G79 R882N67-D75 PolarHBondContact ND2-OD2 3.28Å; A72-D75 HydrophobicContact CB-CB 4.32Å; A72-D75 PolarHBondContact O-N 3.32Å; I73-D75 VanDerWaalsContact C-N 3.33Å; I73-D75 PolarHBondContact O-N 3.42Å; D75-A78 WeakPolarHBondContact O-CB 3.26Å; D75-A78 PolarHBondContact O-N 2.91Å; D75-G79 PolarHBondContact O-N 3.41Å; D75-R882 IonicContact OD1-NH1 3.83Å; D75-R882 IonicContact OD2-NH1 3.8Å; D75-R882 PolarHBondContact OD2-NH1 3.48Å; D75-R882 IonicContact OD2-NH2 3.86Å
76L85.3Confident82.4Confident48 Ų4858.7 Ų58.725%0.25130%0.304SS..Hα-helixtrans-65.6-49172-17964.2000111.4I65 A72 I73 Y74 A78 G79 I80I65-L76 HydrophobicContact CB-CD1 4.37Å; I65-L76 HydrophobicContact CG1-CD1 4.44Å; I65-L76 HydrophobicContact CG2-CD1 3.91Å; A72-L76 PolarHBondContact O-N 3.4Å; I73-L76 WeakPolarHBondContact O-CB 3.49Å; I73-L76 PolarHBondContact O-N 2.94Å; Y74-L76 VanDerWaalsContact C-N 3.34Å; L76-A78 VanDerWaalsContact C-N 3.27Å; L76-A78 PolarHBondContact O-N 3.33Å; L76-G79 PolarHBondContact O-N 3.46Å; L76-I80 HydrophobicContact CD1-CD1 4.36Å; L76-I80 HydrophobicContact CG-CD1 4.14Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.34Å
77C87Confident82.5Confident74 Ų7458.8 Ų58.850%0.530%0.301SS..Hα-helixtrans-59.6-39.9175.6-66.70000111.7I73 I80 W81I73-C77 PolarHBondContact O-N 3.19Å; I73-C77 PolarHBondContact O-SG 3.47Å; I73-C77 VanDerWaalsContact O-SG 3.42Å; C77-I80 PolarHBondContact O-N 3.34Å; C77-W81 WeakPolarHBondContact O-CB 3.42Å; C77-W81 PolarHBondContact O-N 3.42Å
78A85.8Confident82.6Confident3 Ų362.5 Ų62.53%0.02532%0.32CS..Hα-helixtrans-61.4-45.6174.300000112.2Y74 D75 L76 W81 L82 A886 N887 L890Y74-A78 WeakPolarHBondContact O-CB 3.35Å; Y74-A78 PolarHBondContact O-N 3.4Å; D75-A78 WeakPolarHBondContact O-CB 3.26Å; D75-A78 PolarHBondContact O-N 2.91Å; L76-A78 VanDerWaalsContact C-N 3.27Å; L76-A78 PolarHBondContact O-N 3.33Å; A78-W81 PolarHBondContact O-N 3.26Å; A78-L82 WeakPolarHBondContact O-CB 3.23Å; A78-L82 PolarHBondContact O-N 2.89Å; A78-A886 HydrophobicContact CB-CB 3.99Å; A78-N887 HydrophobicContact CB-CB 4.25Å; A78-L890 HydrophobicContact CB-CD1 3.52Å; A78-L890 VanDerWaalsContact O-CD1 3.31Å; A78-L890 WeakPolarHBondContact O-CD1 3.4Å
79G87.8Confident82.6Confident0 Ų062.2 Ų62.20%032%0.317CS..Hα-helixtrans-60.4-45.3175.900000112.8D75 L76 L82 F83D75-G79 PolarHBondContact O-N 3.41Å; L76-G79 PolarHBondContact O-N 3.46Å; G79-L82 PolarHBondContact O-N 3.3Å; G79-F83 WeakPolarHBondContact O-CB 3.49Å; G79-F83 PolarHBondContact O-N 2.86Å
80I90.2Very high82.5Confident84 Ų8460.1 Ų60.143%0.43130%0.301SS..Hα-helixtrans-63.3-44.6176.4-65167.4000110.9L76 C77 L82 F83 I84L76-I80 HydrophobicContact CD1-CD1 4.36Å; L76-I80 HydrophobicContact CG-CD1 4.14Å; L76-I80 WeakPolarHBondContact O-CG1 3.44Å; L76-I80 PolarHBondContact O-N 3.34Å; C77-I80 PolarHBondContact O-N 3.34Å; I80-L82 PolarHBondContact O-N 2.91Å; I80-F83 WeakPolarHBondContact O-CB 3.35Å; I80-F83 PolarHBondContact O-N 3.28Å; I80-I84 HydrophobicContact CG2-CD1 4.1Å; I80-I84 WeakPolarHBondContact O-CG1 3.47Å; I80-I84 PolarHBondContact O-N 2.94Å
81W88.5Confident82.8Confident120 Ų12059.1 Ų59.146%0.45530%0.296SS..Hα-helixtrans-61.2-45177.6-178.5-115.5000112.1C77 A78 F83 I84 L85 S894C77-W81 WeakPolarHBondContact O-CB 3.42Å; C77-W81 PolarHBondContact O-N 3.42Å; A78-W81 PolarHBondContact O-N 3.26Å; W81-F83 VanDerWaalsContact C-N 3.31Å; W81-F83 PolarHBondContact O-N 3.11Å; W81-I84 PolarHBondContact O-N 3.39Å; W81-L85 HydrophobicContact CZ2-CD2 4.36Å; W81-L85 WeakPolarHBondContact O-CG 3.36Å; W81-L85 PolarHBondContact O-N 2.9Å; W81-S894 PolarHBondContact NE1-OG 2.61Å
82L86.8Confident83.1Confident2 Ų256.3 Ų56.31%0.0128%0.284CS..Hα-helixtrans-64.4-35.8176.4-178.661.2000111.9V61 L64 A78 G79 I80 L85 L86 L288 L890V61-L82 HydrophobicContact CG2-CB 3.94Å; V61-L82 HydrophobicContact CG2-CD2 3.65Å; V61-L82 HydrophobicContact CG2-CG 3.54Å; L64-L82 HydrophobicContact CD1-CD2 4.23Å; A78-L82 WeakPolarHBondContact O-CB 3.23Å; A78-L82 PolarHBondContact O-N 2.89Å; G79-L82 PolarHBondContact O-N 3.3Å; I80-L82 PolarHBondContact O-N 2.91Å; L82-L85 PolarHBondContact O-N 3.42Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 PolarHBondContact O-N 3.38Å; L82-L288 HydrophobicContact CD1-CD1 3.9Å; L82-L288 HydrophobicContact CD2-CD1 3.48Å; L82-L288 VanDerWaalsContact CD2-CD1 3.48Å; L82-L288 HydrophobicContact CD2-CD2 4.45Å; L82-L288 HydrophobicContact CG-CD1 4.35Å; L82-L890 HydrophobicContact CB-CD1 4.36Å; L82-L890 HydrophobicContact CB-CD2 4.04Å; L82-L890 HydrophobicContact CD1-CD2 3.98Å; L82-L890 HydrophobicContact CG-CD2 4.48Å
83F89.4Confident83.2Confident89 Ų8955.2 Ų55.239%0.3928%0.275SS..Hα-helixtrans-63.6-44.8173.9-176.5-107.7000112.1L58 V61 G79 I80 W81 L85 L86 L87L58-F83 HydrophobicContact CD1-CD2 4.43Å; L58-F83 HydrophobicContact CD1-CE2 4.36Å; V61-F83 HydrophobicContact CG1-CB 3.81Å; V61-F83 HydrophobicContact CG1-CD2 4.11Å; V61-F83 HydrophobicContact CG1-CG 4.36Å; V61-F83 HydrophobicContact CG2-CB 4.35Å; G79-F83 WeakPolarHBondContact O-CB 3.49Å; G79-F83 PolarHBondContact O-N 2.86Å; I80-F83 WeakPolarHBondContact O-CB 3.35Å; I80-F83 PolarHBondContact O-N 3.28Å; W81-F83 VanDerWaalsContact C-N 3.31Å; W81-F83 PolarHBondContact O-N 3.11Å; F83-L85 VanDerWaalsContact C-N 3.32Å; F83-L85 PolarHBondContact O-N 3.47Å; F83-L86 PolarHBondContact O-N 2.82Å; F83-L87 WeakPolarHBondContact O-CB 3.37Å; F83-L87 PolarHBondContact O-N 2.87Å
84I89Confident83Confident85 Ų8553 Ų5344%0.43626%0.264SS..Hα-helixtrans-59.8-45.3175.8-67.8167.1000110.3I80 W81 L87 L88I80-I84 HydrophobicContact CG2-CD1 4.1Å; I80-I84 WeakPolarHBondContact O-CG1 3.47Å; I80-I84 PolarHBondContact O-N 2.94Å; W81-I84 PolarHBondContact O-N 3.39Å; I84-L87 PolarHBondContact O-N 3.26Å; I84-L88 WeakPolarHBondContact O-CB 3.34Å; I84-L88 PolarHBondContact O-N 2.82Å
85L83.8Confident82.9Confident12 Ų1251.1 Ų51.16%0.06326%0.256CS..Hα-helixtrans-61.3-45176.5-72174.1000111.7W81 L82 F83 L87 L88 N89 F292 F298 L890W81-L85 HydrophobicContact CZ2-CD2 4.36Å; W81-L85 WeakPolarHBondContact O-CG 3.36Å; W81-L85 PolarHBondContact O-N 2.9Å; L82-L85 PolarHBondContact O-N 3.42Å; F83-L85 VanDerWaalsContact C-N 3.32Å; F83-L85 PolarHBondContact O-N 3.47Å; L85-L87 PolarHBondContact O-N 3.28Å; L85-L88 PolarHBondContact O-N 2.95Å; L85-N89 WeakPolarHBondContact O-CB 3.37Å; L85-N89 PolarHBondContact O-N 2.9Å; L85-F292 HydrophobicContact CD1-CE2 4Å; L85-F292 HydrophobicContact CD1-CZ 3.9Å; L85-F298 HydrophobicContact CD2-CZ 4.4Å; L85-L890 HydrophobicContact CD1-CD2 4.46Å
86L84.1Confident82.3Confident10 Ų1052.1 Ų52.15%0.05226%0.263CS..Hα-helixtrans-61.6-42.2177178.859.2000112Y49 T57 L58 L82 F83 N89 T90Y49-L86 HydrophobicContact CE2-CD1 3.94Å; T57-L86 VanDerWaalsContact OG1-CD1 3.23Å; T57-L86 WeakPolarHBondContact OG1-CD1 3.48Å; L58-L86 HydrophobicContact CB-CD2 3.98Å; L58-L86 HydrophobicContact CD1-CD2 4.05Å; L82-L86 WeakPolarHBondContact O-CB 3.33Å; L82-L86 PolarHBondContact O-N 3.38Å; F83-L86 PolarHBondContact O-N 2.82Å; L86-N89 WeakPolarHBondContact O-CB 3.31Å; L86-N89 PolarHBondContact O-N 3.33Å; L86-T90 WeakPolarHBondContact O-CB 3.45Å; L86-T90 PolarHBondContact O-N 2.9Å; L86-T90 PolarHBondContact O-OG1 3.42Å
87L85.8Confident81.6Confident93 Ų9350.9 Ų50.949%0.48726%0.255SS..Hα-helixtrans-64-53.1177.7-17676.1000111F83 I84 L85 N89 T90 L91F83-L87 WeakPolarHBondContact O-CB 3.37Å; F83-L87 PolarHBondContact O-N 2.87Å; I84-L87 PolarHBondContact O-N 3.26Å; L85-L87 PolarHBondContact O-N 3.28Å; L87-N89 PolarHBondContact O-N 3.2Å; L87-T90 PolarHBondContact O-N 3.36Å; L87-L91 HydrophobicContact CG-CD1 4.25Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 2.98Å
88L82.5Confident81Confident91 Ų9152.1 Ų52.148%0.47625%0.25SS..Hα-helixtrans-56.4-36177.8-176.971.8000110.5I84 L85 L92 I297I84-L88 WeakPolarHBondContact O-CB 3.34Å; I84-L88 PolarHBondContact O-N 2.82Å; L85-L88 PolarHBondContact O-N 2.95Å; L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 PolarHBondContact O-N 3.39Å; L88-I297 HydrophobicContact CB-CD1 3.68Å; L88-I297 HydrophobicContact CD2-CD1 3.52Å; L88-I297 HydrophobicContact CD2-CG1 4.04Å; L88-I297 HydrophobicContact CD2-CG2 4.27Å; L88-I297 HydrophobicContact CG-CD1 3.51Å; L88-I297 HydrophobicContact CG-CG1 3.97Å
89N77.2Confident80.1Confident0 Ų053.9 Ų53.90%026%0.258CS..Hα-helixtrans-71.3-42.5-178.3-169.864.3000112.9Y49 L85 L86 L87 L91 L92 A93 S294 L295 P296 I297Y49-N89 VanDerWaalsContact CD2-ND2 3.29Å; Y49-N89 WeakPolarHBondContact CD2-ND2 3.49Å; L85-N89 WeakPolarHBondContact O-CB 3.37Å; L85-N89 PolarHBondContact O-N 2.9Å; L86-N89 WeakPolarHBondContact O-CB 3.31Å; L86-N89 PolarHBondContact O-N 3.33Å; L87-N89 PolarHBondContact O-N 3.2Å; N89-L91 VanDerWaalsContact C-N 3.34Å; N89-L92 PolarHBondContact O-N 3.09Å; N89-A93 WeakPolarHBondContact O-CB 3.29Å; N89-A93 PolarHBondContact O-N 2.81Å; N89-S294 PolarHBondContact ND2-O 2.89Å; N89-L295 HydrophobicContact CB-CD2 3.68Å; N89-L295 VanDerWaalsContact ND2-CD2 3.25Å; N89-L295 WeakPolarHBondContact ND2-CD2 3.44Å; N89-L295 WeakPolarHBondContact OD1-CA 3.23Å; N89-P296 VanDerWaalsContact CG-CD 3.46Å; N89-P296 VanDerWaalsContact ND2-CD 3.35Å; N89-P296 WeakPolarHBondContact ND2-CD 3.4Å; N89-P296 WeakPolarHBondContact OD1-CD 3.49Å; N89-P296 WeakPolarHBondContact OD1-CG 3.33Å; N89-I297 HydrophobicContact CB-CD1 3.71Å; N89-I297 HydrophobicContact CB-CG1 4.36Å; N89-I297 VanDerWaalsContact N-CD1 3.34Å; N89-I297 PolarHBondContact OD1-N 3.33Å
90T77.6Confident79Confident39 Ų3955.8 Ų55.824%0.23927%0.271CS..Hα-helixtrans-64.9-42.7176.2-50.30000109.8Y49 L86 L87 L92 A93 L94Y49-T90 HydrophobicContact CE1-CG2 4.32Å; Y49-T90 PolarHBondContact OH-OG1 2.92Å; L86-T90 WeakPolarHBondContact O-CB 3.45Å; L86-T90 PolarHBondContact O-N 2.9Å; L86-T90 PolarHBondContact O-OG1 3.42Å; L87-T90 PolarHBondContact O-N 3.36Å; T90-L92 PolarHBondContact O-N 3.33Å; T90-A93 PolarHBondContact O-N 3.49Å; T90-L94 HydrophobicContact CG2-CD1 4.29Å; T90-L94 WeakPolarHBondContact O-CB 3.33Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.09Å; T90-L94 PolarHBondContact O-N 3.06Å
91L80.8Confident78Confident100 Ų10052.9 Ų52.952%0.52426%0.258SS..Hα-helixtrans-62.3-42.2174.8-69.8174.2000112.1L87 N89 L94 Y95L87-L91 HydrophobicContact CG-CD1 4.25Å; L87-L91 WeakPolarHBondContact O-CG 3.43Å; L87-L91 PolarHBondContact O-N 2.98Å; N89-L91 VanDerWaalsContact C-N 3.34Å; L91-L94 PolarHBondContact O-N 3.08Å; L91-Y95 VanDerWaalsContact O-CB 3.3Å; L91-Y95 WeakPolarHBondContact O-CB 3.32Å; L91-Y95 PolarHBondContact O-N 3.23Å
92L75.6Confident77.1Confident38 Ų3847.9 Ų47.920%0.19924%0.241CC..Hα-helixtrans-68.1-41.8178.1-174.365.5000112L88 N89 T90 Y95 V96 P296 I297 I300L88-L92 WeakPolarHBondContact O-CB 3.41Å; L88-L92 PolarHBondContact O-N 3.39Å; N89-L92 PolarHBondContact O-N 3.09Å; T90-L92 PolarHBondContact O-N 3.33Å; L92-Y95 HydrophobicContact CD1-CD1 4.29Å; L92-Y95 PolarHBondContact O-N 3.43Å; L92-V96 HydrophobicContact CD1-CG2 4.25Å; L92-V96 HydrophobicContact CG-CG2 4.46Å; L92-V96 WeakPolarHBondContact O-CG2 3.46Å; L92-V96 PolarHBondContact O-N 3.01Å; L92-P296 HydrophobicContact CD2-CB 4.41Å; L92-I297 HydrophobicContact CB-CG1 4.33Å; L92-I297 HydrophobicContact CD2-CB 4.07Å; L92-I297 HydrophobicContact CD2-CG1 3.65Å; L92-I300 HydrophobicContact CD1-CG2 4.31Å; L92-I300 HydrophobicContact CD2-CB 4.05Å; L92-I300 HydrophobicContact CD2-CD1 3.76Å; L92-I300 HydrophobicContact CD2-CG2 4.35Å; L92-I300 HydrophobicContact CG-CD1 3.83Å
93A72.1Confident76.2Confident1 Ų150.6 Ų50.61%0.00825%0.254CS..Hα-helixtrans-61.9-43.8175.300000111.2Q47 Y49 N89 T90 Y95 V96 F97 P296Q47-A93 PolarHBondContact OE1-O 3.42Å; Y49-A93 HydrophobicContact CG-CB 4.33Å; N89-A93 WeakPolarHBondContact O-CB 3.29Å; N89-A93 PolarHBondContact O-N 2.81Å; T90-A93 PolarHBondContact O-N 3.49Å; A93-Y95 VanDerWaalsContact C-N 3.3Å; A93-Y95 PolarHBondContact O-N 3.2Å; A93-V96 PolarHBondContact O-N 3.38Å; A93-F97 VanDerWaalsContact O-CB 3.26Å; A93-F97 WeakPolarHBondContact O-CB 3.02Å; A93-F97 PolarHBondContact O-N 2.88Å; A93-P296 HydrophobicContact CB-CG 4.1Å
94L75.1Confident75.3Confident84 Ų8447.9 Ų47.944%0.4424%0.244SC..Hα-helixtrans-61.7-39.8173.1-72.2169.7000111.7F39 T90 L91 Y98F39-L94 HydrophobicContact CE2-CD2 4.28Å; F39-L94 HydrophobicContact CZ-CD2 3.91Å; T90-L94 HydrophobicContact CG2-CD1 4.29Å; T90-L94 WeakPolarHBondContact O-CB 3.33Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.09Å; T90-L94 PolarHBondContact O-N 3.06Å; L91-L94 PolarHBondContact O-N 3.08Å; L94-Y98 VanDerWaalsContact O-CB 3.24Å; L94-Y98 WeakPolarHBondContact O-CB 3.46Å; L94-Y98 PolarHBondContact O-N 3.18Å
95Y75.8Confident74.7Confident98 Ų9845 Ų4538%0.38423%0.229SC..Hα-helixtrans-67.1-44.8178.4177.4-119.5000112.4L91 L92 A93 Y98 M99 R304L91-Y95 VanDerWaalsContact O-CB 3.3Å; L91-Y95 WeakPolarHBondContact O-CB 3.32Å; L91-Y95 PolarHBondContact O-N 3.23Å; L92-Y95 HydrophobicContact CD1-CD1 4.29Å; L92-Y95 PolarHBondContact O-N 3.43Å; A93-Y95 VanDerWaalsContact C-N 3.3Å; A93-Y95 PolarHBondContact O-N 3.2Å; Y95-Y98 WeakPolarHBondContact O-CB 3.42Å; Y95-Y98 PolarHBondContact O-N 3.34Å; Y95-M99 HydrophobicContact CD1-CG 4.49Å; Y95-M99 HydrophobicContact CD2-CG 4.13Å; Y95-M99 HydrophobicContact CE1-CG 4.14Å; Y95-M99 HydrophobicContact CE2-CG 3.67Å; Y95-M99 HydrophobicContact CE2-SD 3.8Å; Y95-M99 HydrophobicContact CG-CG 4.49Å; Y95-M99 WeakPolarHBondContact O-CB 3.2Å; Y95-M99 VanDerWaalsContact O-CG 3.24Å; Y95-M99 WeakPolarHBondContact O-CG 3.37Å; Y95-M99 PolarHBondContact O-N 3.1Å; Y95-R304 PolarHBondContact OH-NH2 3.49Å
96V68.9Low74.3Confident24 Ų2451.2 Ų51.215%0.14525%0.251CS..Hα-helixtrans-71.8-33.8178.4-175.10000110.4Q47 L92 A93 Y98 M99 C100 I300Q47-V96 HydrophobicContact CG-CG1 4.44Å; Q47-V96 VanDerWaalsContact NE2-C 3.26Å; Q47-V96 PolarHBondContact NE2-O 3.28Å; L92-V96 HydrophobicContact CD1-CG2 4.25Å; L92-V96 HydrophobicContact CG-CG2 4.46Å; L92-V96 WeakPolarHBondContact O-CG2 3.46Å; L92-V96 PolarHBondContact O-N 3.01Å; A93-V96 PolarHBondContact O-N 3.38Å; V96-Y98 VanDerWaalsContact C-N 3.34Å; V96-M99 PolarHBondContact O-N 3.42Å; V96-C100 WeakPolarHBondContact O-CB 3.43Å; V96-C100 PolarHBondContact O-N 2.97Å; V96-C100 PolarHBondContact O-SG 3.32Å; V96-I300 HydrophobicContact CB-CD1 4.39Å; V96-I300 HydrophobicContact CG2-CD1 3.74Å; V96-I300 HydrophobicContact CG2-CG1 4.48Å; V96-I300 HydrophobicContact CG2-CG2 4.09Å
97F70.4Confident73.9Confident22 Ų2253.1 Ų53.110%0.09626%0.259CS..Hα-helixtrans-59.8-49.3171.6173.4-98.5000109.6N35 A38 F39 C46 A93 M99 C100 S101N35-F97 HydrophobicContact CB-CE1 4.45Å; N35-F97 HydrophobicContact CB-CZ 4.09Å; A38-F97 HydrophobicContact CB-CE2 4.19Å; F39-F97 HydrophobicContact CZ-CB 4.24Å; F39-F97 HydrophobicContact CZ-CD2 4.46Å; F39-F97 HydrophobicContact CZ-CG 4.16Å; C46-F97 HydrophobicContact CB-CD2 3.52Å; C46-F97 HydrophobicContact CB-CE2 4.06Å; C46-F97 VanDerWaalsContact SG-CD2 3.53Å; A93-F97 VanDerWaalsContact O-CB 3.26Å; A93-F97 WeakPolarHBondContact O-CB 3.02Å; A93-F97 PolarHBondContact O-N 2.88Å; F97-M99 PolarHBondContact O-N 2.75Å; F97-C100 PolarHBondContact O-N 3.28Å; F97-S101 VanDerWaalsContact O-CB 3.28Å; F97-S101 WeakPolarHBondContact O-CB 3.48Å; F97-S101 PolarHBondContact O-N 3.23Å; F97-S101 PolarHBondContact O-OG 2.98Å; F97-S101 VanDerWaalsContact O-OG 3.12Å
98Y72.9Confident73.5Confident100 Ų10049.1 Ų49.139%0.39224%0.239SC..Hα-helixtrans-58.5-45.6176.2172.7-107.2000112.1M30 L94 Y95 V96 S101 S102M30-Y98 HydrophobicContact CE-CD2 3.21Å; M30-Y98 HydrophobicContact CE-CE2 3.19Å; M30-Y98 HydrophobicContact CE-CG 4.29Å; M30-Y98 HydrophobicContact SD-CD2 4.1Å; L94-Y98 VanDerWaalsContact O-CB 3.24Å; L94-Y98 WeakPolarHBondContact O-CB 3.46Å; L94-Y98 PolarHBondContact O-N 3.18Å; Y95-Y98 WeakPolarHBondContact O-CB 3.42Å; Y95-Y98 PolarHBondContact O-N 3.34Å; V96-Y98 VanDerWaalsContact C-N 3.34Å; Y98-S101 WeakPolarHBondContact CA-OG 3.49Å; Y98-S101 PolarHBondContact O-N 3.49Å; Y98-S101 PolarHBondContact O-OG 3.22Å; Y98-S101 VanDerWaalsContact O-OG 3.09Å; Y98-S102 WeakPolarHBondContact O-CB 3.29Å; Y98-S102 PolarHBondContact O-N 3.43Å; Y98-S102 PolarHBondContact O-OG 3.24Å
99M68.6Low73.6Confident40 Ų4049.5 Ų49.520%0.19724%0.238CC..Hα-helixtrans-64.8-41.8-179.8-72.8-62-60.700112.1Y95 V96 F97 E103Y95-M99 HydrophobicContact CD1-CG 4.49Å; Y95-M99 HydrophobicContact CD2-CG 4.13Å; Y95-M99 HydrophobicContact CE1-CG 4.14Å; Y95-M99 HydrophobicContact CE2-CG 3.67Å; Y95-M99 HydrophobicContact CE2-SD 3.8Å; Y95-M99 HydrophobicContact CG-CG 4.49Å; Y95-M99 WeakPolarHBondContact O-CB 3.2Å; Y95-M99 VanDerWaalsContact O-CG 3.24Å; Y95-M99 WeakPolarHBondContact O-CG 3.37Å; Y95-M99 PolarHBondContact O-N 3.1Å; V96-M99 PolarHBondContact O-N 3.42Å; F97-M99 PolarHBondContact O-N 2.75Å; M99-E103 WeakPolarHBondContact O-CA 3.36Å; M99-E103 WeakPolarHBondContact O-CB 3.48Å; M99-E103 PolarHBondContact O-N 2.93Å
100C64.7Low73.7Confident40 Ų4051.3 Ų51.327%0.2726%0.257SS..Hα-helixtrans-69.5-44.4176.7-72.10000111.7Q47 V96 F97 S102 E103Q47-C100 PolarHBondContact NE2-SG 3.12Å; V96-C100 WeakPolarHBondContact O-CB 3.43Å; V96-C100 PolarHBondContact O-N 2.97Å; V96-C100 PolarHBondContact O-SG 3.32Å; F97-C100 PolarHBondContact O-N 3.28Å; C100-S102 VanDerWaalsContact C-N 3.32Å; C100-S102 PolarHBondContact O-N 3.45Å; C100-E103 PolarHBondContact O-N 3.05Å
101S67.5Low74Confident23 Ų2349.9 Ų49.916%0.16125%0.248CC..Hα-helixtrans-64.9-39.2179.472.30000111.3Q28 F97 Y98Q28-S101 VanDerWaalsContact CD-O 3.3Å; Q28-S101 PolarHBondContact NE2-O 2.69Å; Q28-S101 PolarHBondContact OE1-O 3.16Å; F97-S101 VanDerWaalsContact O-CB 3.28Å; F97-S101 WeakPolarHBondContact O-CB 3.48Å; F97-S101 PolarHBondContact O-N 3.23Å; F97-S101 PolarHBondContact O-OG 2.98Å; F97-S101 VanDerWaalsContact O-OG 3.12Å; Y98-S101 WeakPolarHBondContact CA-OG 3.49Å; Y98-S101 PolarHBondContact O-N 3.49Å; Y98-S101 PolarHBondContact O-OG 3.22Å; Y98-S101 VanDerWaalsContact O-OG 3.09Å
102S69.9Low74.2Confident14 Ų1445.8 Ų45.810%0.09823%0.227CC..Hα-helixtrans-88-2.7-179.3680000114.5Y98 C100 L104 I105 R106Y98-S102 WeakPolarHBondContact O-CB 3.29Å; Y98-S102 PolarHBondContact O-N 3.43Å; Y98-S102 PolarHBondContact O-OG 3.24Å; C100-S102 VanDerWaalsContact C-N 3.32Å; C100-S102 PolarHBondContact O-N 3.45Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.35Å; S102-I105 PolarHBondContact O-N 3.04Å; S102-I105 VanDerWaalsContact O-N 3.15Å; S102-R106 WeakPolarHBondContact O-CB 3.33Å; S102-R106 PolarHBondContact O-N 3.49Å
103E68.9Low74.7Confident60 Ų6048.3 Ų48.328%0.2824%0.24SC..Hα-helixtrans-55.9-51.1-173.6-171.2-169.615400111.3M99 C100 R106 K107M99-E103 WeakPolarHBondContact O-CA 3.36Å; M99-E103 WeakPolarHBondContact O-CB 3.48Å; M99-E103 PolarHBondContact O-N 2.93Å; C100-E103 PolarHBondContact O-N 3.05Å; E103-R106 PolarHBondContact O-N 2.97Å; E103-K107 HydrophobicContact CG-CD 4.39Å; E103-K107 WeakPolarHBondContact O-CG 3.48Å; E103-K107 PolarHBondContact O-N 2.99Å; E103-K107 WeakPolarHBondContact OE1-CE 3.34Å; E103-K107 IonicContact OE1-NZ 2.71Å; E103-K107 PolarHBondContact OE1-NZ 2.94Å
104L70.3Confident75.2Confident32 Ų3250 Ų5017%0.16825%0.249CC..Hα-helixtrans-65.8-41.9179.3-179.774.1000111.9S102 R106 K107 S108 F225 L826S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.35Å; L104-R106 PolarHBondContact O-N 2.93Å; L104-K107 PolarHBondContact O-N 3.21Å; L104-S108 WeakPolarHBondContact O-CB 3.36Å; L104-S108 PolarHBondContact O-N 3.48Å; L104-S108 PolarHBondContact O-OG 2.84Å; L104-F225 HydrophobicContact CD1-CD1 3.64Å; L104-F225 HydrophobicContact CD1-CE1 3.26Å; L104-F225 HydrophobicContact CD1-CE2 4.35Å; L104-F225 HydrophobicContact CD1-CG 4.37Å; L104-F225 HydrophobicContact CD1-CZ 3.69Å; L104-F225 HydrophobicContact CD2-CB 3.44Å; L104-F225 VanDerWaalsContact CD2-CB 3.44Å; L104-F225 HydrophobicContact CD2-CD1 3.16Å; L104-F225 HydrophobicContact CD2-CD2 3.56Å; L104-F225 HydrophobicContact CD2-CE1 3.69Å; L104-F225 HydrophobicContact CD2-CE2 4Å; L104-F225 HydrophobicContact CD2-CG 3.12Å; L104-F225 HydrophobicContact CD2-CZ 4.09Å; L104-F225 HydrophobicContact CG-CD1 3.99Å; L104-F225 HydrophobicContact CG-CE1 4.07Å; L104-F225 HydrophobicContact CG-CG 4.31Å; L104-F225 HydrophobicContact CG-CZ 4.42Å; L104-L826 HydrophobicContact CD1-CB 4.28Å
105I75.5Confident75.7Confident23 Ų2346 Ų4612%0.11823%0.228CC..Hα-helixtrans-60.5-40.9177.1-63.7-177.7000109.5V21 S102 S108 Q109V21-I105 HydrophobicContact CG1-CG2 4.32Å; S102-I105 PolarHBondContact O-N 3.04Å; S102-I105 VanDerWaalsContact O-N 3.15Å; I105-S108 WeakPolarHBondContact CA-OG 3.34Å; I105-S108 PolarHBondContact O-OG 2.72Å; I105-Q109 HydrophobicContact CG2-CG 4.33Å; I105-Q109 VanDerWaalsContact O-CB 3.25Å; I105-Q109 WeakPolarHBondContact O-CB 3.39Å; I105-Q109 WeakPolarHBondContact O-CG 3.39Å; I105-Q109 PolarHBondContact O-N 3.42Å
106R76.4Confident76.1Confident143 Ų14343.6 Ų43.654%0.5422%0.222SC..Hα-helixtrans-68.2-44177.6-173.1177.261.8128.42.9112.1S102 E103 L104 Q109 G110S102-R106 WeakPolarHBondContact O-CB 3.33Å; S102-R106 PolarHBondContact O-N 3.49Å; E103-R106 PolarHBondContact O-N 2.97Å; L104-R106 PolarHBondContact O-N 2.93Å; R106-Q109 PolarHBondContact O-N 2.95Å; R106-G110 PolarHBondContact O-N 3.43Å
107K75.1Confident76.9Confident50 Ų5049.1 Ų49.122%0.21724%0.24CC..Hα-helixtrans-60.8-47.7175.4-78.6179.8168.4173.30111.1E103 L104 G110 L111 E312 L826E103-K107 HydrophobicContact CG-CD 4.39Å; E103-K107 WeakPolarHBondContact O-CG 3.48Å; E103-K107 PolarHBondContact O-N 2.99Å; E103-K107 WeakPolarHBondContact OE1-CE 3.34Å; E103-K107 IonicContact OE1-NZ 2.71Å; E103-K107 PolarHBondContact OE1-NZ 2.94Å; L104-K107 PolarHBondContact O-N 3.21Å; K107-G110 PolarHBondContact O-N 3.43Å; K107-L111 PolarHBondContact O-N 3.28Å; K107-E312 WeakPolarHBondContact CE-OE1 3.34Å; K107-E312 IonicContact NZ-OE1 2.88Å; K107-E312 PolarHBondContact NZ-OE1 3.21Å; K107-L826 HydrophobicContact CB-CD2 4.13Å
108S78.6Confident77.3Confident9 Ų948.1 Ų48.16%0.06324%0.236CC..Hα-helixtrans-66.8-39.5178570000112.8V21 L104 I105 G110 L111 V112V21-S108 WeakPolarHBondContact CG2-OG 3.39Å; L104-S108 WeakPolarHBondContact O-CB 3.36Å; L104-S108 PolarHBondContact O-N 3.48Å; L104-S108 PolarHBondContact O-OG 2.84Å; I105-S108 WeakPolarHBondContact CA-OG 3.34Å; I105-S108 PolarHBondContact O-OG 2.72Å; S108-G110 VanDerWaalsContact C-N 3.34Å; S108-G110 PolarHBondContact O-N 3.43Å; S108-L111 WeakPolarHBondContact O-CB 3.16Å; S108-L111 PolarHBondContact O-N 3.2Å; S108-V112 WeakPolarHBondContact O-CG2 3.42Å; S108-V112 PolarHBondContact O-N 3.05Å
109Q82.8Confident77.6Confident100 Ų10043.8 Ų43.847%0.46722%0.221SC..Hα-helixtrans-62.6-40171.5-77.8174.8-4.100112V21 I105 R106 L111 V112 N113V21-Q109 HydrophobicContact CG1-CG 4.37Å; I105-Q109 HydrophobicContact CG2-CG 4.33Å; I105-Q109 VanDerWaalsContact O-CB 3.25Å; I105-Q109 WeakPolarHBondContact O-CB 3.39Å; I105-Q109 WeakPolarHBondContact O-CG 3.39Å; I105-Q109 PolarHBondContact O-N 3.42Å; R106-Q109 PolarHBondContact O-N 2.95Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 3.35Å; Q109-V112 PolarHBondContact O-N 2.9Å; Q109-N113 WeakPolarHBondContact O-CB 3.49Å; Q109-N113 PolarHBondContact O-N 2.97Å; Q109-N113 PolarHBondContact O-ND2 2.82Å
110G81.3Confident78.1Confident37 Ų3746.1 Ų46.138%0.38124%0.241SC..Hα-helixtrans-58.2-41.8173.600000112.3R106 K107 S108 N113 L114R106-G110 PolarHBondContact O-N 3.43Å; K107-G110 PolarHBondContact O-N 3.43Å; S108-G110 VanDerWaalsContact C-N 3.34Å; S108-G110 PolarHBondContact O-N 3.43Å; G110-N113 PolarHBondContact O-N 3.43Å; G110-L114 PolarHBondContact O-N 3.49Å
111L82.3Confident78.7Confident10 Ų1050.1 Ų50.15%0.05226%0.256CS..Hα-helixtrans-67.6-44.4174.5178.462.8000112.5K107 S108 Q109 N113 L114 I115 F822 I823 L826K107-L111 PolarHBondContact O-N 3.28Å; S108-L111 WeakPolarHBondContact O-CB 3.16Å; S108-L111 PolarHBondContact O-N 3.2Å; Q109-L111 VanDerWaalsContact C-N 3.28Å; Q109-L111 PolarHBondContact O-N 3.35Å; L111-N113 VanDerWaalsContact C-N 3.28Å; L111-N113 PolarHBondContact O-N 2.98Å; L111-L114 HydrophobicContact CD1-CD2 4.44Å; L111-L114 WeakPolarHBondContact O-CB 3.28Å; L111-L114 PolarHBondContact O-N 2.89Å; L111-L114 VanDerWaalsContact O-N 3.07Å; L111-I115 HydrophobicContact CD1-CD1 4.1Å; L111-I115 HydrophobicContact CD1-CG1 4.27Å; L111-I115 HydrophobicContact CG-CD1 4.03Å; L111-I115 WeakPolarHBondContact O-CG1 3.03Å; L111-I115 PolarHBondContact O-N 2.87Å; L111-F822 HydrophobicContact CD1-CB 4.11Å; L111-I823 HydrophobicContact CD2-CB 4.43Å; L111-I823 HydrophobicContact CD2-CG1 3.7Å; L111-L826 HydrophobicContact CD2-CD1 4.12Å; L111-L826 HydrophobicContact CD2-CD2 4.35Å; L111-L826 HydrophobicContact CD2-CG 4.45Å
112V85.5Confident78.7Confident13 Ų1357.1 Ų57.18%0.07928%0.283CS..Hα-helixtrans-57.3-44.4174.9169.50000110.3R14 L17 S108 Q109 L114 I115 D116R14-V112 HydrophobicContact CG-CG1 3.92Å; L17-V112 HydrophobicContact CB-CG2 3.94Å; S108-V112 WeakPolarHBondContact O-CG2 3.42Å; S108-V112 PolarHBondContact O-N 3.05Å; Q109-V112 PolarHBondContact O-N 2.9Å; V112-L114 VanDerWaalsContact C-N 3.32Å; V112-L114 PolarHBondContact O-N 3.39Å; V112-I115 PolarHBondContact O-N 3.15Å; V112-D116 VanDerWaalsContact O-CB 3.31Å; V112-D116 WeakPolarHBondContact O-CB 3.24Å; V112-D116 PolarHBondContact O-N 3.28Å
113N86.3Confident78.5Confident91 Ų9158.4 Ų58.449%0.48729%0.289SS..Hα-helixtrans-66.8-31.9176.6-67.9-19.4000112.7Q109 G110 L111 R117Q109-N113 WeakPolarHBondContact O-CB 3.49Å; Q109-N113 PolarHBondContact O-N 2.97Å; Q109-N113 PolarHBondContact O-ND2 2.82Å; G110-N113 PolarHBondContact O-N 3.43Å; L111-N113 VanDerWaalsContact C-N 3.28Å; L111-N113 PolarHBondContact O-N 2.98Å; N113-R117 WeakPolarHBondContact O-CB 3.48Å; N113-R117 VanDerWaalsContact O-CG 3.3Å; N113-R117 WeakPolarHBondContact O-CG 3.28Å; N113-R117 PolarHBondContact O-N 3.18Å; N113-R117 VanDerWaalsContact O-N 3.15Å; N113-R117 PolarHBondContact O-NE 3.3Å
114L82.8Confident78.2Confident37 Ų3763.3 Ų63.319%0.19432%0.316CS..Hα-helixtrans-66.9-48.1173.1178.464.7000111G110 L111 V112 D116 R117 M118G110-L114 PolarHBondContact O-N 3.49Å; L111-L114 HydrophobicContact CD1-CD2 4.44Å; L111-L114 WeakPolarHBondContact O-CB 3.28Å; L111-L114 PolarHBondContact O-N 2.89Å; L111-L114 VanDerWaalsContact O-N 3.07Å; V112-L114 VanDerWaalsContact C-N 3.32Å; V112-L114 PolarHBondContact O-N 3.39Å; L114-D116 VanDerWaalsContact C-N 3.33Å; L114-D116 PolarHBondContact O-N 2.95Å; L114-R117 PolarHBondContact O-N 3.49Å; L114-M118 HydrophobicContact CG-SD 4.49Å; L114-M118 WeakPolarHBondContact O-CG 3.41Å; L114-M118 PolarHBondContact O-N 3.35Å; L114-M118 VanDerWaalsContact O-N 3.08Å
115I84.4Confident78.3Confident1 Ų165.3 Ų65.31%0.00533%0.332CS..Hα-helixtrans-64.9-39.7179.2-65169.6000110.5L10 L13 R14 L17 L111 V112 M118 A119 I819L10-I115 HydrophobicContact CB-CG2 4.23Å; L10-I115 HydrophobicContact CD2-CG2 4.26Å; L10-I115 WeakPolarHBondContact O-CG2 3.39Å; L13-I115 HydrophobicContact CD2-CD1 4.24Å; L13-I115 HydrophobicContact CG-CD1 4.49Å; R14-I115 HydrophobicContact CB-CG2 3.98Å; L17-I115 HydrophobicContact CD1-CD1 3.41Å; L17-I115 VanDerWaalsContact CD1-CD1 3.41Å; L111-I115 HydrophobicContact CD1-CD1 4.1Å; L111-I115 HydrophobicContact CD1-CG1 4.27Å; L111-I115 HydrophobicContact CG-CD1 4.03Å; L111-I115 WeakPolarHBondContact O-CG1 3.03Å; L111-I115 PolarHBondContact O-N 2.87Å; V112-I115 PolarHBondContact O-N 3.15Å; I115-M118 PolarHBondContact O-N 3.48Å; I115-A119 WeakPolarHBondContact O-CB 3.23Å; I115-A119 PolarHBondContact O-N 3.09Å; I115-I819 HydrophobicContact CD1-CG2 4.48Å; I115-I819 HydrophobicContact CG1-CG2 4.49Å
116D86.2Confident78.4Confident47 Ų4765.1 Ų65.125%0.25133%0.332SS..Hα-helixtrans-63.1-43.1177.8-160.230.9000111.8R14 V112 L114 M118 A119 S120R14-D116 WeakPolarHBondContact CD-OD1 3.27Å; R14-D116 HydrophobicContact CG-CB 4.45Å; R14-D116 VanDerWaalsContact CZ-CG 3.47Å; R14-D116 IonicContact CZ-OD1 2.64Å; R14-D116 VanDerWaalsContact CZ-OD1 3.24Å; R14-D116 IonicContact CZ-OD2 3.24Å; R14-D116 IonicContact NE-OD1 3.72Å; R14-D116 PolarHBondContact NE-OD1 2.95Å; R14-D116 IonicContact NE-OD2 3.73Å; R14-D116 PolarHBondContact NE-OD2 3.42Å; R14-D116 IonicContact NH1-OD1 2.83Å; R14-D116 VanDerWaalsContact NH2-CG 3.33Å; R14-D116 IonicContact NH2-OD1 3.8Å; R14-D116 PolarHBondContact NH2-OD1 3.44Å; R14-D116 IonicContact NH2-OD2 2.72Å; R14-D116 PolarHBondContact NH2-OD2 3.06Å; V112-D116 VanDerWaalsContact O-CB 3.31Å; V112-D116 WeakPolarHBondContact O-CB 3.24Å; V112-D116 PolarHBondContact O-N 3.28Å; L114-D116 VanDerWaalsContact C-N 3.33Å; L114-D116 PolarHBondContact O-N 2.95Å; D116-M118 VanDerWaalsContact C-N 3.33Å; D116-M118 PolarHBondContact O-N 3.24Å; D116-A119 PolarHBondContact O-N 2.84Å; D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.34Å; D116-S120 PolarHBondContact O-OG 3.13Å
117R83.8Confident78.7Confident139 Ų13959.8 Ų59.853%0.52532%0.315SS..Hα-helixtrans-58.2-46.3172.4-77.2-178.3-70.1-178.60.7111.4N113 L114 A119 S120 E121N113-R117 WeakPolarHBondContact O-CB 3.48Å; N113-R117 VanDerWaalsContact O-CG 3.3Å; N113-R117 WeakPolarHBondContact O-CG 3.28Å; N113-R117 PolarHBondContact O-N 3.18Å; N113-R117 VanDerWaalsContact O-N 3.15Å; N113-R117 PolarHBondContact O-NE 3.3Å; L114-R117 PolarHBondContact O-N 3.49Å; R117-A119 PolarHBondContact O-N 2.96Å; R117-S120 WeakPolarHBondContact CA-OG 3.37Å; R117-S120 PolarHBondContact O-N 2.99Å; R117-S120 PolarHBondContact O-OG 2.91Å; R117-E121 WeakPolarHBondContact O-CG 3.37Å; R117-E121 PolarHBondContact O-N 2.89Å
118M78.9Confident79.1Confident1 Ų159.2 Ų59.21%0.00532%0.315CS..Hα-helixtrans-64-39.4178.4-69.5-177.26800113L10 L114 I115 D116 S120 I123 L126 K814 I819L10-M118 HydrophobicContact CD1-CB 4.24Å; L114-M118 HydrophobicContact CG-SD 4.49Å; L114-M118 WeakPolarHBondContact O-CG 3.41Å; L114-M118 PolarHBondContact O-N 3.35Å; L114-M118 VanDerWaalsContact O-N 3.08Å; I115-M118 PolarHBondContact O-N 3.48Å; D116-M118 VanDerWaalsContact C-N 3.33Å; D116-M118 PolarHBondContact O-N 3.24Å; M118-S120 VanDerWaalsContact C-N 3.33Å; M118-I123 HydrophobicContact CB-CD1 3.74Å; M118-I123 HydrophobicContact CE-CD1 3.63Å; M118-I123 HydrophobicContact CG-CD1 4.03Å; M118-L126 HydrophobicContact CE-CD1 3.71Å; M118-K814 HydrophobicContact CE-CB 3.8Å; M118-K814 HydrophobicContact CE-CD 3.95Å; M118-K814 HydrophobicContact CG-CD 4.23Å; M118-K814 HydrophobicContact SD-CB 4.47Å; M118-K814 HydrophobicContact SD-CD 3.69Å; M118-I819 HydrophobicContact CE-CD1 3.66Å; M118-I819 HydrophobicContact CE-CG1 4.5Å; M118-I819 HydrophobicContact SD-CD1 3.87Å; M118-I819 HydrophobicContact SD-CG1 4.41Å
119A79.5Confident79.2Confident10 Ų1059.1 Ų59.18%0.08332%0.315CS..Hα-helixtrans-65.8-37.9174.800000111.4T7 L10 I115 D116 R117 K122T7-A119 WeakPolarHBondContact CG2-O 3.28Å; L10-A119 HydrophobicContact CB-CB 3.99Å; I115-A119 WeakPolarHBondContact O-CB 3.23Å; I115-A119 PolarHBondContact O-N 3.09Å; D116-A119 PolarHBondContact O-N 2.84Å; R117-A119 PolarHBondContact O-N 2.96Å; A119-K122 PolarHBondContact O-N 3.45Å
120S79.6Confident79.1Confident88 Ų8855.8 Ų55.862%0.61530%0.302SS*.Hα-helixtrans-69.9-31.6-179.773.70000113.7D116 R117 M118 K122D116-S120 WeakPolarHBondContact O-CB 3.4Å; D116-S120 PolarHBondContact O-N 3.34Å; D116-S120 PolarHBondContact O-OG 3.13Å; R117-S120 WeakPolarHBondContact CA-OG 3.37Å; R117-S120 PolarHBondContact O-N 2.99Å; R117-S120 PolarHBondContact O-OG 2.91Å; M118-S120 VanDerWaalsContact C-N 3.33Å; S120-K122 PolarHBondContact O-N 3.48Å
121E77.5Confident79.2Confident125 Ų12556.2 Ų56.258%0.58430%0.295SS*.THydrogen-bonded Turntrans-71.8-3.7179.5-75.1171.5-17200113.5R117 I123R117-E121 WeakPolarHBondContact O-CG 3.37Å; R117-E121 PolarHBondContact O-N 2.89Å; E121-I123 VanDerWaalsContact C-N 3.35Å; E121-I123 HydrophobicContact CB-CG1 4.27Å; E121-I123 PolarHBondContact O-N 3.03Å
122K66.6Low79.2Confident169 Ų16958 Ų5874%0.73530%0.303SS*.THydrogen-bonded Turntrans46.954.8-175.2-69.3-174178.4-179.90112.2A119 S120 L124A119-K122 PolarHBondContact O-N 3.45Å; S120-K122 PolarHBondContact O-N 3.48Å; K122-L124 PolarHBondContact O-N 3.29Å
123I66.2Low78.8Confident42 Ų4258.1 Ų58.122%0.21530%0.304CS..  trans-57.5126177.6-60.9173.2000109.5M118 E121 S125M118-I123 HydrophobicContact CB-CD1 3.74Å; M118-I123 HydrophobicContact CE-CD1 3.63Å; M118-I123 HydrophobicContact CG-CD1 4.03Å; E121-I123 VanDerWaalsContact C-N 3.35Å; E121-I123 HydrophobicContact CB-CG1 4.27Å; E121-I123 PolarHBondContact O-N 3.03Å; I123-S125 VanDerWaalsContact C-N 3.35Å; I123-S125 WeakPolarHBondContact CG2-O 3.05Å; I123-S125 PolarHBondContact O-N 3.08Å
124L63.6Low78.3Confident163 Ų16354.4 Ų54.485%0.85329%0.285SS*.SBendtrans-65.6-34.9-175.2-157.783.7000112.7K122K122-L124 PolarHBondContact O-N 3.29Å
125S71.8Confident78Confident73 Ų7354.7 Ų54.751%0.5129%0.288SS..  trans-165.6148.4172.353.10000111.1I123I123-S125 VanDerWaalsContact C-N 3.35Å; I123-S125 WeakPolarHBondContact CG2-O 3.05Å; I123-S125 PolarHBondContact O-N 3.08Å
126L78Confident77.6Confident20 Ų2055.4 Ų55.411%0.10529%0.293CS..  trans-84.3141.2174.5-146.670.2000109.9T6 M118 T128 L157 A816 I819T6-L126 HydrophobicContact CG2-CB 4.3Å; M118-L126 HydrophobicContact CE-CD1 3.71Å; L126-T128 PolarHBondContact O-N 3.16Å; L126-T128 VanDerWaalsContact O-N 3.17Å; L126-L157 HydrophobicContact CD2-CD1 4.34Å; L126-A816 VanDerWaalsContact CD2-CA 3.45Å; L126-A816 HydrophobicContact CD2-CB 3.5Å; L126-A816 VanDerWaalsContact CD2-CB 3.5Å; L126-A816 HydrophobicContact CG-CB 4.04Å; L126-I819 HydrophobicContact CD1-CD1 4.14Å; L126-I819 HydrophobicContact CD2-CD1 4.06Å
127V81.9Confident77.1Confident31 Ų3156.4 Ų56.419%0.18830%0.297CS..BIsolated β-bridgetrans-73.1111.8176.7-177.30000109.2R811 A816V127-R811 HydrophobicContact CG2-CB 4.36Å; V127-A816 WeakPolarHBondContact O-CB 3.13Å; V127-A816 PolarHBondContact O-N 3.25Å
128T82.9Confident76.7Confident37 Ų3749.8 Ų49.823%0.22727%0.272CS..  trans-109.5156.4-179.750.50000112.3L126 V151 L153 A816L126-T128 PolarHBondContact O-N 3.16Å; L126-T128 VanDerWaalsContact O-N 3.17Å; T128-V151 HydrophobicContact CG2-CB 4.27Å; T128-V151 HydrophobicContact CG2-CG2 4.46Å; T128-L153 HydrophobicContact CG2-CD1 4.27Å; T128-A816 HydrophobicContact CG2-CB 3.94Å
129P81.2Confident76.9Confident7 Ų750.4 Ų50.45%0.04528%0.275CS..  trans-55.9157.9168.8-23.430.1000113.7L141 N152 L817P129-L141 HydrophobicContact CB-CD1 4.15Å; P129-L141 HydrophobicContact CG-CD1 4.15Å; P129-L141 HydrophobicContact CG-CD2 4.12Å; P129-N152 HydrophobicContact CB-CB 4.41Å; P129-N152 WeakPolarHBondContact CD-O 3.4Å; P129-L817 HydrophobicContact CG-CD1 4.09Å; P129-L817 HydrophobicContact CG-CD2 3.84Å; P129-L817 HydrophobicContact CG-CG 4.18Å
130P80.8Confident77.2Confident30 Ų3051.6 Ų51.620%0.19528%0.278CS..  trans-56.5145.1171.4-21.432.9000112.1H132 C133 N152 M805 I808P130-H132 PolarHBondContact O-N 3.12Å; P130-C133 HydrophobicContact CB-CB 4.38Å; P130-C133 PolarHBondContact O-N 2.98Å; P130-C133 PolarHBondContact O-SG 3.38Å; P130-N152 PolarHBondContact O-ND2 3.09Å; P130-M805 HydrophobicContact CG-CG 4.37Å; P130-M805 HydrophobicContact CG-SD 4.39Å; P130-I808 HydrophobicContact CG-CD1 4.07Å
131L83.8Confident77.7Confident46 Ų4649.3 Ų49.324%0.24126%0.259CS..THydrogen-bonded Turntrans-62.9-44.2-175-172.763.8000112.9W143 V150 N152L131-W143 HydrophobicContact CD1-CB 4.5Å; L131-W143 HydrophobicContact CD1-CD2 3.93Å; L131-W143 HydrophobicContact CD1-CG 3.78Å; L131-W143 HydrophobicContact CG-CD2 4.43Å; L131-W143 HydrophobicContact CG-CZ2 4.23Å; L131-W143 PolarHBondContact O-NE1 3.11Å; L131-V150 HydrophobicContact CD1-CB 4.49Å; L131-V150 HydrophobicContact CD1-CG1 3.67Å; L131-V150 HydrophobicContact CD2-CB 4.39Å; L131-V150 HydrophobicContact CD2-CG1 4.21Å; L131-N152 PolarHBondContact O-ND2 2.93Å
132H81.4Confident78.3Confident48 Ų4843.9 Ų43.922%0.22224%0.235CC..THydrogen-bonded Turntrans-100.126.3-176.1-49.8-71.8000112.8P130 W143 Q412 C416P130-H132 PolarHBondContact O-N 3.12Å; H132-W143 AromaticContact CE1-CH2 3.99Å; H132-W143 AromaticContact ND1-CH2 3.88Å; H132-W143 AromaticContact ND1-CZ2 3.66Å; H132-Q412 HydrophobicContact CB-CB 4.44Å; H132-Q412 HydrophobicContact CB-CG 3.73Å; H132-Q412 VanDerWaalsContact O-CG 3.26Å; H132-Q412 WeakPolarHBondContact O-CG 3.41Å; H132-Q412 PolarHBondContact O-NE2 3.45Å; H132-C416 HydrophobicContact CB-CB 4.34Å
133C77.9Confident79.5Confident15 Ų1536.4 Ų36.410%0.10120%0.202CC..PPolyproline II helixtrans-61.9145.1175.369.90000110.6P130 N152P130-C133 HydrophobicContact CB-CB 4.38Å; P130-C133 PolarHBondContact O-N 2.98Å; P130-C133 PolarHBondContact O-SG 3.38Å; C133-N152 PolarHBondContact SG-ND2 3.48Å
134P74.8Confident80.8Confident13 Ų1334.4 Ų34.48%0.08419%0.192CC..PPolyproline II helixtrans-51.5142.6176-26.131.9000112.8S136 N437 P799P134-S136 PolarHBondContact O-N 3.23Å; P134-N437 WeakPolarHBondContact CA-OD1 3.28Å; P134-N437 HydrophobicContact CB-CB 4.5Å; P134-N437 WeakPolarHBondContact CB-OD1 3.46Å; P134-P799 HydrophobicContact CB-CB 3.92Å; P134-P799 HydrophobicContact CG-CB 4.03Å
135V76.7Confident82.2Confident44 Ų4428.9 Ų28.927%0.26716%0.16SC..PPolyproline II helixtrans-70.6127.6178.8-178.10000109.2N437V135-N437 PolarHBondContact N-OD1 3.16Å; V135-N437 PolarHBondContact O-ND2 2.9Å
136S77.1Confident83Confident15 Ų1525.9 Ų25.911%0.10514%0.138CC..  trans-122.9138.5176.9179.60000110.7P134 S138 I139P134-S136 PolarHBondContact O-N 3.23Å; S136-S138 PolarHBondContact O-N 2.84Å; S136-S138 PolarHBondContact OG-N 2.87Å; S136-I139 PolarHBondContact O-N 3.36Å
137E74.7Confident83.4Confident69 Ų6927.8 Ų27.832%0.32215%0.148SC..THydrogen-bonded Turntrans-68.1-18.8174.8-74.3162.4-14000113K325 T778E137-K325 HydrophobicContact CB-CD 4.48Å; E137-K325 IonicContact OE1-NZ 3.58Å; E137-K325 PolarHBondContact OE1-NZ 3.36Å; E137-K325 IonicContact OE2-NZ 3.79Å; E137-T778 PolarHBondContact O-OG1 3.03Å
138S76.1Confident83.6Confident0 Ų028.4 Ų28.40%016%0.16CC..THydrogen-bonded Turntrans-90.20.5-179.8-66.40000113.5S136 S323 K325 S775 T778S136-S138 PolarHBondContact O-N 2.84Å; S136-S138 PolarHBondContact OG-N 2.87Å; S138-S323 PolarHBondContact OG-OG 3Å; S138-K325 WeakPolarHBondContact CB-O 3.45Å; S138-K325 PolarHBondContact OG-O 3.36Å; S138-S775 WeakPolarHBondContact O-CB 3.09Å; S138-S775 PolarHBondContact O-OG 3.27Å; S138-T778 VanDerWaalsContact C-OG1 3.25Å; S138-T778 PolarHBondContact O-OG1 3.2Å
139I82.5Confident84Confident13 Ų1331.5 Ų31.57%0.06717%0.174CC..  trans-141.4117.1177.1-47.5-179.4000108.6S136 L141 L777 P796 I798S136-I139 PolarHBondContact O-N 3.36Å; I139-L141 HydrophobicContact CB-CG 4.41Å; I139-L141 HydrophobicContact CG2-CD1 4Å; I139-L141 HydrophobicContact CG2-CD2 3.49Å; I139-L141 VanDerWaalsContact CG2-CD2 3.49Å; I139-L141 HydrophobicContact CG2-CG 3.51Å; I139-L141 PolarHBondContact O-N 3.16Å; I139-L777 HydrophobicContact CB-CB 4.37Å; I139-L777 HydrophobicContact CD1-CD1 4.2Å; I139-L777 HydrophobicContact CG1-CB 4.3Å; I139-L777 HydrophobicContact CG1-CD1 4.11Å; I139-L777 HydrophobicContact CG2-CB 3.98Å; I139-L777 HydrophobicContact CG2-CD1 4.09Å; I139-P796 HydrophobicContact CD1-CG 4.22Å; I139-P796 HydrophobicContact CG1-CG 3.86Å; I139-I798 HydrophobicContact CD1-CG1 4.42Å
140E87.1Confident84.4Confident35 Ų3533.2 Ų33.216%0.16419%0.185CC..  trans-92.698.7175.8-163.6178.896.600109.6S155 V173 R187 L777 P779E140-S155 PolarHBondContact O-N 2.97Å; E140-S155 WeakPolarHBondContact OE1-CB 3.32Å; E140-S155 PolarHBondContact OE1-OG 3.17Å; E140-V173 HydrophobicContact CG-CG1 4Å; E140-R187 IonicContact OE1-NH2 3.29Å; E140-R187 IonicContact OE2-NH2 2.73Å; E140-L777 PolarHBondContact N-O 3.36Å; E140-L777 VanDerWaalsContact N-O 3.11Å; E140-P779 WeakPolarHBondContact OE1-CG 2.96Å
141L88.6Confident84.9Confident40 Ų4032.7 Ų32.721%0.20918%0.181CC..EExtended strand (participates in β ladder)trans-109.4146.7-179.5-55.9175000111.2P129 I139 N152 P154P129-L141 HydrophobicContact CB-CD1 4.15Å; P129-L141 HydrophobicContact CG-CD1 4.15Å; P129-L141 HydrophobicContact CG-CD2 4.12Å; I139-L141 HydrophobicContact CB-CG 4.41Å; I139-L141 HydrophobicContact CG2-CD1 4Å; I139-L141 HydrophobicContact CG2-CD2 3.49Å; I139-L141 VanDerWaalsContact CG2-CD2 3.49Å; I139-L141 HydrophobicContact CG2-CG 3.51Å; I139-L141 PolarHBondContact O-N 3.16Å; L141-N152 WeakPolarHBondContact CB-OD1 3.5Å; L141-N152 WeakPolarHBondContact CD1-ND2 3.3Å; L141-P154 HydrophobicContact CD2-CB 4.48Å; L141-P154 HydrophobicContact CD2-CG 4.13Å
142C90.6Very high85.1Confident12 Ų1230.8 Ų30.88%0.08117%0.171CC..EExtended strand (participates in β ladder)trans-131140.7178-169.60000110.4T144 L153 L158 V173C142-T144 PolarHBondContact O-N 2.69Å; C142-T144 PolarHBondContact O-OG1 2.84Å; C142-L153 PolarHBondContact N-O 2.57Å; C142-L153 PolarHBondContact O-N 3.13Å; C142-L158 HydrophobicContact CB-CD1 4.13Å; C142-V173 HydrophobicContact CB-CG2 4.22Å
143W92.7Very high85.5Confident12 Ų1229 Ų295%0.04516%0.163CC..EExtended strand (participates in β ladder)trans-76118.6172.5-71.55.9000109.4L131 H132 V150 I164 L165 R167L131-W143 HydrophobicContact CD1-CB 4.5Å; L131-W143 HydrophobicContact CD1-CD2 3.93Å; L131-W143 HydrophobicContact CD1-CG 3.78Å; L131-W143 HydrophobicContact CG-CD2 4.43Å; L131-W143 HydrophobicContact CG-CZ2 4.23Å; L131-W143 PolarHBondContact O-NE1 3.11Å; H132-W143 AromaticContact CE1-CH2 3.99Å; H132-W143 AromaticContact ND1-CH2 3.88Å; H132-W143 AromaticContact ND1-CZ2 3.66Å; W143-V150 HydrophobicContact CB-CG1 4.17Å; W143-I164 CarbonylContact O-C 3.6Å; W143-I164 VanDerWaalsContact O-CA 3.29Å; W143-I164 WeakPolarHBondContact O-CA 3.48Å; W143-I164 WeakPolarHBondContact O-CB 3.39Å; W143-L165 HydrophobicContact CB-CB 3.98Å; W143-L165 HydrophobicContact CE3-CB 4.41Å; W143-L165 HydrophobicContact CE3-CD1 4.36Å; W143-L165 PolarHBondContact O-N 3.36Å; W143-R167 HydrophobicContact CD2-CG 4.18Å; W143-R167 HydrophobicContact CE3-CG 4Å; W143-R167 HydrophobicContact CZ3-CG 4.23Å
144T92.9Very high86.2Confident0 Ų028.4 Ų28.40%016%0.159CC..EExtended strand (participates in β ladder)trans-132.5137-172-52.90000110.5C142 R146 V150 V151 L153 L158 D162 I164C142-T144 PolarHBondContact O-N 2.69Å; C142-T144 PolarHBondContact O-OG1 2.84Å; T144-R146 PolarHBondContact O-N 3.35Å; T144-V150 WeakPolarHBondContact O-CA 3.47Å; T144-V151 PolarHBondContact N-O 3.36Å; T144-V151 PolarHBondContact O-N 3.13Å; T144-L153 HydrophobicContact CG2-CD2 4.42Å; T144-L158 HydrophobicContact CG2-CD2 4.08Å; T144-L158 WeakPolarHBondContact OG1-CD2 3.36Å; T144-D162 HydrophobicContact CG2-CB 4.27Å; T144-I164 HydrophobicContact CG2-CG2 4.1Å
145Y92.5Very high86.9Confident47 Ų4727.9 Ų27.918%0.18416%0.155CC..EExtended strand (participates in β ladder)trans-76.4116.8168.7-75.6-82000110.1I149 V150 I163 L165Y145-I149 WeakPolarHBondContact CA-O 3.5Å; Y145-V150 HydrophobicContact CD1-CG2 3.73Å; Y145-V150 HydrophobicContact CE1-CG2 3.29Å; Y145-V150 HydrophobicContact CE2-CG2 4.31Å; Y145-V150 HydrophobicContact CG-CG2 4.39Å; Y145-I163 HydrophobicContact CD2-CB 4.36Å; Y145-I163 HydrophobicContact CD2-CG2 3.88Å; Y145-I163 PolarHBondContact N-O 3Å; Y145-L165 HydrophobicContact CD2-CG 4.37Å; Y145-L165 HydrophobicContact CE2-CD1 3.76Å; Y145-L165 HydrophobicContact CE2-CD2 3.86Å; Y145-L165 HydrophobicContact CE2-CG 3.68Å
146R88.8Confident87.4Confident10 Ų1026 Ų264%0.03814%0.144CC..EExtended strand (participates in β ladder)trans-135130.6178.6-153.284.4-152.1163.125109.7L4 T5 T6 A9 T144 G148 I149 V151 D162L4-R146 WeakPolarHBondContact O-CD 3.03Å; L4-R146 PolarHBondContact O-NE 2.92Å; L4-R146 VanDerWaalsContact O-NE 3.08Å; L4-R146 PolarHBondContact O-NH2 3.36Å; T5-R146 PolarHBondContact O-NH2 3.04Å; T6-R146 WeakPolarHBondContact OG1-CG 3.45Å; A9-R146 VanDerWaalsContact CA-NH2 3.34Å; A9-R146 VanDerWaalsContact CB-NH1 3.27Å; A9-R146 VanDerWaalsContact N-NH2 3.13Å; T144-R146 PolarHBondContact O-N 3.35Å; R146-G148 PolarHBondContact O-N 3.05Å; R146-G148 VanDerWaalsContact O-N 3.1Å; R146-I149 PolarHBondContact N-O 3.24Å; R146-I149 WeakPolarHBondContact O-CG1 3.27Å; R146-I149 PolarHBondContact O-N 3.03Å; R146-V151 HydrophobicContact CB-CG2 3.62Å; R146-D162 IonicContact CZ-OD1 2.7Å; R146-D162 VanDerWaalsContact NH1-CG 3.25Å; R146-D162 IonicContact NH1-OD1 2.95Å; R146-D162 PolarHBondContact NH1-OD1 3.44Å; R146-D162 IonicContact NH1-OD2 3.35Å; R146-D162 PolarHBondContact NH1-OD2 2.93Å; R146-D162 IonicContact NH2-OD1 3.16Å
147D87.4Confident88Confident60 Ų6025.6 Ų25.632%0.32114%0.141SC..THydrogen-bonded Turntrans50.637.1178.2-54-54.5000113.2L4 T5 T6 I149L4-D147 PolarHBondContact O-N 3.36Å; T5-D147 WeakPolarHBondContact CA-OD1 3.43Å; T5-D147 WeakPolarHBondContact CB-OD1 3.17Å; T6-D147 VanDerWaalsContact CB-OD2 3.26Å; T6-D147 WeakPolarHBondContact CB-OD2 3.48Å; T6-D147 PolarHBondContact N-OD1 3.34Å; T6-D147 PolarHBondContact N-OD2 3Å; T6-D147 PolarHBondContact OG1-OD2 2.68Å; D147-I149 VanDerWaalsContact C-N 3.28Å; D147-I149 PolarHBondContact O-N 3.39Å
148G86.2Confident88.8Confident43 Ų4322.3 Ų22.344%0.44313%0.125SC..THydrogen-bonded Turntrans770.4-178.800000116.2E2 R146E2-G148 WeakPolarHBondContact O-CA 3.18Å; E2-G148 PolarHBondContact O-N 3.28Å; R146-G148 PolarHBondContact O-N 3.05Å; R146-G148 VanDerWaalsContact O-N 3.1Å
149I90.2Very high89.5Confident103 Ų10322.3 Ų22.353%0.52813%0.125SC..EExtended strand (participates in β ladder)trans-120.4152.3178.858.6164.8000111.7Y145 R146 D147 V151Y145-I149 WeakPolarHBondContact CA-O 3.5Å; R146-I149 PolarHBondContact N-O 3.24Å; R146-I149 WeakPolarHBondContact O-CG1 3.27Å; R146-I149 PolarHBondContact O-N 3.03Å; D147-I149 VanDerWaalsContact C-N 3.28Å; D147-I149 PolarHBondContact O-N 3.39Å; I149-V151 HydrophobicContact CD1-CG1 3.75Å; I149-V151 HydrophobicContact CG1-CG1 3.9Å
150V90.2Very high89.8Confident43 Ų4324.2 Ų24.226%0.26114%0.139SC..EExtended strand (participates in β ladder)trans-81.9122.1171.8-173.10000108.6L131 W143 T144 Y145 L165L131-V150 HydrophobicContact CD1-CB 4.49Å; L131-V150 HydrophobicContact CD1-CG1 3.67Å; L131-V150 HydrophobicContact CD2-CB 4.39Å; L131-V150 HydrophobicContact CD2-CG1 4.21Å; W143-V150 HydrophobicContact CB-CG1 4.17Å; T144-V150 WeakPolarHBondContact O-CA 3.47Å; Y145-V150 HydrophobicContact CD1-CG2 3.73Å; Y145-V150 HydrophobicContact CE1-CG2 3.29Å; Y145-V150 HydrophobicContact CE2-CG2 4.31Å; Y145-V150 HydrophobicContact CG-CG2 4.39Å; V150-L165 HydrophobicContact CG1-CD1 3.95Å; V150-L165 HydrophobicContact CG2-CD1 4.01Å
151V90.2Very high89.9Confident18 Ų1823.6 Ų23.611%0.10914%0.141CC..EExtended strand (participates in β ladder)trans-121.6155.1177.2-61.20000110.7T128 T144 R146 I149 L153T128-V151 HydrophobicContact CG2-CB 4.27Å; T128-V151 HydrophobicContact CG2-CG2 4.46Å; T144-V151 PolarHBondContact N-O 3.36Å; T144-V151 PolarHBondContact O-N 3.13Å; R146-V151 HydrophobicContact CB-CG2 3.62Å; I149-V151 HydrophobicContact CD1-CG1 3.75Å; I149-V151 HydrophobicContact CG1-CG1 3.9Å; V151-L153 PolarHBondContact O-N 3.06Å
152N88.4Confident90.1Very high7 Ų721.7 Ų21.74%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-89.797.3173.8-149.72.4000109.4P129 P130 L131 C133 L141P129-N152 HydrophobicContact CB-CB 4.41Å; P129-N152 WeakPolarHBondContact CD-O 3.4Å; P130-N152 PolarHBondContact O-ND2 3.09Å; L131-N152 PolarHBondContact O-ND2 2.93Å; C133-N152 PolarHBondContact SG-ND2 3.48Å; L141-N152 WeakPolarHBondContact CB-OD1 3.5Å; L141-N152 WeakPolarHBondContact CD1-ND2 3.3Å
153L91Very high90.2Very high11 Ų1122.8 Ų22.86%0.05814%0.136CC..EExtended strand (participates in β ladder)trans-100135.7-173.4-165.571.4000110.9T128 C142 T144 V151 S155 L157 L158 A816T128-L153 HydrophobicContact CG2-CD1 4.27Å; C142-L153 PolarHBondContact N-O 2.57Å; C142-L153 PolarHBondContact O-N 3.13Å; T144-L153 HydrophobicContact CG2-CD2 4.42Å; V151-L153 PolarHBondContact O-N 3.06Å; L153-S155 PolarHBondContact O-N 3.49Å; L153-L157 HydrophobicContact CD1-CB 4.28Å; L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD2-CB 4.03Å; L153-L157 HydrophobicContact CG-CB 4.05Å; L153-L158 HydrophobicContact CD2-CD2 4.07Å; L153-A816 HydrophobicContact CD1-CB 4.48Å
154P90.9Very high90.2Very high2 Ų222.2 Ų22.21%0.01313%0.134CC..EExtended strand (participates in β ladder)trans-56133.3167.7-25.535.1000111.4L141 V156 L157 A816 L817 A820L141-P154 HydrophobicContact CD2-CB 4.48Å; L141-P154 HydrophobicContact CD2-CG 4.13Å; P154-V156 HydrophobicContact CB-CG1 4.45Å; P154-V156 PolarHBondContact O-N 3.32Å; P154-V156 VanDerWaalsContact O-N 3.16Å; P154-L157 HydrophobicContact CB-CD1 4.47Å; P154-L157 HydrophobicContact CB-CG 4.43Å; P154-L157 HydrophobicContact CG-CD1 4.31Å; P154-L157 PolarHBondContact O-N 3.29Å; P154-A816 HydrophobicContact CG-CB 4.37Å; P154-L817 HydrophobicContact CG-CD2 3.88Å; P154-A820 HydrophobicContact CB-CB 3.71Å; P154-A820 HydrophobicContact CG-CB 4.05Å
155S89.8Confident90.1Very high1 Ų123 Ų231%0.00714%0.138CC..G310 helixtrans-58.2-34.3-17363.70000113.4E140 L153 L157 L158 V218E140-S155 PolarHBondContact O-N 2.97Å; E140-S155 WeakPolarHBondContact OE1-CB 3.32Å; E140-S155 PolarHBondContact OE1-OG 3.17Å; L153-S155 PolarHBondContact O-N 3.49Å; S155-L157 PolarHBondContact O-N 2.92Å; S155-L157 VanDerWaalsContact O-N 3.14Å; S155-L158 VanDerWaalsContact O-CB 3.26Å; S155-L158 WeakPolarHBondContact O-CB 3.48Å; S155-L158 WeakPolarHBondContact O-CG 2.99Å; S155-L158 PolarHBondContact O-N 3.12Å; S155-V218 VanDerWaalsContact O-CB 3.3Å; S155-V218 WeakPolarHBondContact O-CB 3.47Å; S155-V218 VanDerWaalsContact O-CG2 3.24Å; S155-V218 WeakPolarHBondContact O-CG2 3.45Å
156V87.9Confident90Very high4 Ų421.2 Ų21.22%0.02413%0.131CC..G310 helixtrans-61.6-21.617871.70000113.7P154 L219 A820 I823P154-V156 HydrophobicContact CB-CG1 4.45Å; P154-V156 PolarHBondContact O-N 3.32Å; P154-V156 VanDerWaalsContact O-N 3.16Å; V156-L219 HydrophobicContact CG2-CD1 4.41Å; V156-A820 HydrophobicContact CG1-CB 3.5Å; V156-I823 HydrophobicContact CG1-CD1 4.49Å; V156-I823 HydrophobicContact CG2-CB 4.18Å; V156-I823 HydrophobicContact CG2-CD1 4.38Å; V156-I823 HydrophobicContact CG2-CG2 3.54Å
157L89.9Confident90.1Very high8 Ų822.4 Ų22.44%0.04214%0.136CC..G310 helixtrans-88.7-3.7177.6-59.1-177.7000113.4L13 L126 L153 P154 S155 A816 I819 A820 I823L13-L157 HydrophobicContact CD2-CD2 3.77Å; L126-L157 HydrophobicContact CD2-CD1 4.34Å; L153-L157 HydrophobicContact CD1-CB 4.28Å; L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD2-CB 4.03Å; L153-L157 HydrophobicContact CG-CB 4.05Å; P154-L157 HydrophobicContact CB-CD1 4.47Å; P154-L157 HydrophobicContact CB-CG 4.43Å; P154-L157 HydrophobicContact CG-CD1 4.31Å; P154-L157 PolarHBondContact O-N 3.29Å; S155-L157 PolarHBondContact O-N 2.92Å; S155-L157 VanDerWaalsContact O-N 3.14Å; L157-A816 HydrophobicContact CD1-CB 4.01Å; L157-A816 WeakPolarHBondContact CD1-O 3.38Å; L157-I819 HydrophobicContact CD2-CB 4.21Å; L157-I819 HydrophobicContact CD2-CG2 3.73Å; L157-A820 HydrophobicContact CG-CB 4.48Å; L157-I823 HydrophobicContact CD2-CD1 3.63Å
158L90.7Very high90.1Very high0 Ų019.6 Ų19.60%012%0.121CC..  trans-68.4131.4176.4-66.2170.8000110.7C142 T144 L153 S155 D162 I164 V173 V218C142-L158 HydrophobicContact CB-CD1 4.13Å; T144-L158 HydrophobicContact CG2-CD2 4.08Å; T144-L158 WeakPolarHBondContact OG1-CD2 3.36Å; L153-L158 HydrophobicContact CD2-CD2 4.07Å; S155-L158 VanDerWaalsContact O-CB 3.26Å; S155-L158 WeakPolarHBondContact O-CB 3.48Å; S155-L158 WeakPolarHBondContact O-CG 2.99Å; S155-L158 PolarHBondContact O-N 3.12Å; L158-D162 WeakPolarHBondContact CA-OD2 3.5Å; L158-D162 HydrophobicContact CD2-CB 4.36Å; L158-I164 HydrophobicContact CD2-CG2 3.7Å; L158-V173 HydrophobicContact CD1-CG2 3.68Å; L158-V218 HydrophobicContact CB-CG2 4.41Å; L158-V218 HydrophobicContact CD1-CG2 4.26Å
159V90.6Very high90Very high0 Ų018 Ų180%010%0.104CC..  trans-117156.7177.4-64.60000111.1L4 A9 L12 L13 G161 D162L4-V159 HydrophobicContact CD1-CG2 4.11Å; A9-V159 HydrophobicContact CB-CG1 4.5Å; A9-V159 HydrophobicContact CB-CG2 3.76Å; L12-V159 HydrophobicContact CB-CB 4.13Å; L12-V159 HydrophobicContact CB-CG1 4.18Å; L12-V159 HydrophobicContact CB-CG2 4.18Å; L12-V159 HydrophobicContact CD1-CG2 4.07Å; L13-V159 HydrophobicContact CB-CG1 3.8Å; L13-V159 HydrophobicContact CD1-CG1 4.24Å; V159-G161 PolarHBondContact O-N 3.39Å; V159-D162 WeakPolarHBondContact CG2-OD1 3.3Å; V159-D162 WeakPolarHBondContact CG2-OD2 3.5Å; V159-D162 PolarHBondContact N-OD2 2.83Å; V159-D162 VanDerWaalsContact O-CB 3.3Å; V159-D162 WeakPolarHBondContact O-CB 3.31Å; V159-D162 PolarHBondContact O-N 2.93Å
160P89.6Confident89.8Confident53 Ų5314.2 Ų14.234%0.3448%0.084SC..THydrogen-bonded Turntrans-54.9134.2172-2535000111.6V214P160-V214 CarbonylContact C-O 3.32Å; P160-V214 WeakPolarHBondContact CA-O 2.96Å
161G88.6Confident89.7Confident21 Ų2115.6 Ų15.622%0.2169%0.094CC..THydrogen-bonded Turntrans89.4-2.1-173.800000114.8L4 V159 V214L4-G161 WeakPolarHBondContact CD1-O 3.14Å; V159-G161 PolarHBondContact O-N 3.39Å; G161-V214 PolarHBondContact N-O 3.46Å
162D92Very high89.6Confident0 Ų014.9 Ų14.90%09%0.09CC..  trans-68.4137.7169.9-80.2-15.5000110.7L4 T144 R146 L158 V159 E213 V214L4-D162 VanDerWaalsContact CD1-OD1 3.23Å; L4-D162 WeakPolarHBondContact CD1-OD1 3.26Å; T144-D162 HydrophobicContact CG2-CB 4.27Å; R146-D162 IonicContact CZ-OD1 2.7Å; R146-D162 VanDerWaalsContact NH1-CG 3.25Å; R146-D162 IonicContact NH1-OD1 2.95Å; R146-D162 PolarHBondContact NH1-OD1 3.44Å; R146-D162 IonicContact NH1-OD2 3.35Å; R146-D162 PolarHBondContact NH1-OD2 2.93Å; R146-D162 IonicContact NH2-OD1 3.16Å; L158-D162 WeakPolarHBondContact CA-OD2 3.5Å; L158-D162 HydrophobicContact CD2-CB 4.36Å; V159-D162 WeakPolarHBondContact CG2-OD1 3.3Å; V159-D162 WeakPolarHBondContact CG2-OD2 3.5Å; V159-D162 PolarHBondContact N-OD2 2.83Å; V159-D162 VanDerWaalsContact O-CB 3.3Å; V159-D162 WeakPolarHBondContact O-CB 3.31Å; V159-D162 PolarHBondContact O-N 2.93Å; D162-E213 CarbonylContact O-C 3.51Å; D162-E213 WeakPolarHBondContact O-CA 3.39Å; D162-V214 HydrophobicContact CB-CB 4.24Å; D162-V214 HydrophobicContact CB-CG2 4.08Å; D162-V214 WeakPolarHBondContact O-CG2 3.38Å; D162-V214 PolarHBondContact O-N 3.14Å
163I92.7Very high89.5Confident35 Ų3515.4 Ų15.418%0.1799%0.093CC..EExtended strand (participates in β ladder)trans-97.4117.2175.2-55.2178.4000107.9M1 Y145 T211 V212M1-I163 HydrophobicContact CB-CD1 4.4Å; M1-I163 HydrophobicContact SD-CD1 4.02Å; M1-I163 HydrophobicContact SD-CG2 4.08Å; Y145-I163 HydrophobicContact CD2-CB 4.36Å; Y145-I163 HydrophobicContact CD2-CG2 3.88Å; Y145-I163 PolarHBondContact N-O 3Å; I163-T211 HydrophobicContact CG2-CG2 3.29Å; I163-V212 WeakPolarHBondContact CA-O 3.39Å
164I93.1Very high89.2Confident0 Ų015.1 Ų15.10%09%0.092CC..EExtended strand (participates in β ladder)trans-114.7154.5-179.565.2172.8000111.4W143 T144 L158 L166 V212 V214W143-I164 CarbonylContact O-C 3.6Å; W143-I164 VanDerWaalsContact O-CA 3.29Å; W143-I164 WeakPolarHBondContact O-CA 3.48Å; W143-I164 WeakPolarHBondContact O-CB 3.39Å; T144-I164 HydrophobicContact CG2-CG2 4.1Å; L158-I164 HydrophobicContact CD2-CG2 3.7Å; I164-L166 HydrophobicContact CD1-CD2 3.88Å; I164-L166 HydrophobicContact CG1-CD2 4.37Å; I164-V212 HydrophobicContact CD1-CG2 3.84Å; I164-V212 HydrophobicContact CG1-CG2 3.34Å; I164-V212 PolarHBondContact N-O 2.74Å; I164-V212 PolarHBondContact O-N 2.92Å; I164-V214 HydrophobicContact CD1-CG2 3.88Å; I164-V214 HydrophobicContact CG1-CG2 4.05Å; I164-V214 HydrophobicContact CG2-CG2 3.75Å
165L92.2Very high89.1Confident16 Ų1620.1 Ų20.18%0.08411%0.111CC..EExtended strand (participates in β ladder)trans-103.4108.3174.6-72.1168000109.3W143 Y145 V150 R167 P209 T211W143-L165 HydrophobicContact CB-CB 3.98Å; W143-L165 HydrophobicContact CE3-CB 4.41Å; W143-L165 HydrophobicContact CE3-CD1 4.36Å; W143-L165 PolarHBondContact O-N 3.36Å; Y145-L165 HydrophobicContact CD2-CG 4.37Å; Y145-L165 HydrophobicContact CE2-CD1 3.76Å; Y145-L165 HydrophobicContact CE2-CD2 3.86Å; Y145-L165 HydrophobicContact CE2-CG 3.68Å; V150-L165 HydrophobicContact CG1-CD1 3.95Å; V150-L165 HydrophobicContact CG2-CD1 4.01Å; L165-R167 PolarHBondContact O-N 2.88Å; L165-P209 HydrophobicContact CB-CB 4.39Å; L165-P209 HydrophobicContact CD2-CB 4.41Å; L165-P209 HydrophobicContact CD2-CG 4.46Å; L165-T211 WeakPolarHBondContact CD2-OG1 3.33Å
166L90.4Very high89.1Confident10 Ų1020.1 Ų20.15%0.05211%0.111CC..EExtended strand (participates in β ladder)trans-75114.4173.1-61.3-175.3000109.5I164 V172 F185 Y191 P209 L210 V212I164-L166 HydrophobicContact CD1-CD2 3.88Å; I164-L166 HydrophobicContact CG1-CD2 4.37Å; L166-V172 HydrophobicContact CD1-CG2 3.9Å; L166-V172 HydrophobicContact CD2-CG1 4.33Å; L166-V172 HydrophobicContact CD2-CG2 3.97Å; L166-F185 HydrophobicContact CD1-CD2 3.81Å; L166-F185 HydrophobicContact CD1-CE2 3.95Å; L166-F185 HydrophobicContact CD1-CG 4.16Å; L166-F185 HydrophobicContact CD1-CZ 4.4Å; L166-Y191 HydrophobicContact CB-CD1 4.06Å; L166-Y191 HydrophobicContact CB-CG 4.1Å; L166-Y191 WeakPolarHBondContact O-CD1 3.45Å; L166-P209 CarbonylContact O-C 3.51Å; L166-P209 WeakPolarHBondContact O-CA 3.39Å; L166-P209 WeakPolarHBondContact O-CB 3.43Å; L166-L210 HydrophobicContact CB-CB 4.37Å; L166-L210 PolarHBondContact N-O 3.14Å; L166-L210 PolarHBondContact O-N 2.87Å; L166-V212 HydrophobicContact CD1-CB 4.42Å; L166-V212 HydrophobicContact CD1-CG1 3.71Å; L166-V212 HydrophobicContact CD1-CG2 3.83Å; L166-V212 HydrophobicContact CD2-CG2 4Å; L166-V212 HydrophobicContact CG-CG1 4.12Å; L166-V212 HydrophobicContact CG-CG2 3.58Å
167R89.9Confident89.2Confident35 Ų3523.4 Ų23.413%0.13213%0.126CC..  trans-77.2137.9177-63.2-174.812.6-146.84.9110.6W143 L165 G169 H170 D420W143-R167 HydrophobicContact CD2-CG 4.18Å; W143-R167 HydrophobicContact CE3-CG 4Å; W143-R167 HydrophobicContact CZ3-CG 4.23Å; L165-R167 PolarHBondContact O-N 2.88Å; R167-G169 PolarHBondContact O-N 2.92Å; R167-H170 HydrophobicContact CB-CB 4.2Å; R167-H170 PolarHBondContact NH2-CE1 3.38Å; R167-H170 PolarHBondContact NH2-NE2 3.12Å; R167-H170 WeakPolarHBondContact O-CB 3.21Å; R167-H170 PolarHBondContact O-N 2.91Å; R167-D420 WeakPolarHBondContact CB-OD2 3.46Å; R167-D420 WeakPolarHBondContact CD-OD2 3.37Å; R167-D420 IonicContact CZ-OD1 2.72Å; R167-D420 IonicContact CZ-OD2 3.17Å; R167-D420 IonicContact NE-OD1 3.92Å; R167-D420 PolarHBondContact NE-OD1 2.89Å; R167-D420 VanDerWaalsContact NE-OD1 3.16Å; R167-D420 IonicContact NE-OD2 2.64Å; R167-D420 PolarHBondContact NE-OD2 3.11Å; R167-D420 IonicContact NH2-OD1 3.53Å; R167-D420 PolarHBondContact NH2-OD1 2.67Å; R167-D420 IonicContact NH2-OD2 2.81Å
168P88.1Confident89Confident2 Ų223.5 Ų23.51%0.01313%0.127CC..THydrogen-bonded Turntrans-53.7135.2177.2-2432.1000111.9H170 Y191 P193 L207 V424P168-H170 PolarHBondContact O-N 3.18Å; P168-H170 VanDerWaalsContact O-N 3.15Å; P168-H170 PolarHBondContact O-ND1 3.36Å; P168-Y191 HydrophobicContact CG-CD1 4.48Å; P168-Y191 HydrophobicContact CG-CE1 4.14Å; P168-P193 HydrophobicContact CB-CG 4.38Å; P168-L207 HydrophobicContact CB-CB 3.98Å; P168-L207 HydrophobicContact CB-CD1 4.26Å; P168-L207 HydrophobicContact CG-CB 3.72Å; P168-V424 HydrophobicContact CB-CG2 3.58Å
169G83.4Confident88.3Confident8 Ų828.3 Ų28.38%0.08217%0.167CC..THydrogen-bonded Turntrans72.33.1176.400000115.2R167 Y191 R423R167-G169 PolarHBondContact O-N 2.92Å; G169-Y191 PolarHBondContact N-O 3.28Å; G169-R423 VanDerWaalsContact O-CD 3.23Å; G169-R423 WeakPolarHBondContact O-CD 3.46Å; G169-R423 WeakPolarHBondContact O-CG 3.27Å; G169-R423 PolarHBondContact O-NE 3.44Å
170H87.1Confident87.5Confident24 Ų2433.9 Ų33.911%0.11119%0.194CC..PPolyproline II helixtrans-92.7144.5175.1-72.167.7000111.2R167 P168 Y191 D420 R423R167-H170 HydrophobicContact CB-CB 4.2Å; R167-H170 PolarHBondContact NH2-CE1 3.38Å; R167-H170 PolarHBondContact NH2-NE2 3.12Å; R167-H170 WeakPolarHBondContact O-CB 3.21Å; R167-H170 PolarHBondContact O-N 2.91Å; P168-H170 PolarHBondContact O-N 3.18Å; P168-H170 VanDerWaalsContact O-N 3.15Å; P168-H170 PolarHBondContact O-ND1 3.36Å; H170-Y191 PolarHBondContact O-N 3.47Å; H170-D420 IonicContact CE1-OD1 3.95Å; H170-D420 PolarHBondContact CE1-OD1 2.99Å; H170-D420 IonicContact ND1-OD1 3.07Å; H170-D420 IonicContact NE2-OD1 3.83Å; H170-R423 PolarHBondContact CD2-NH1 3.37Å; H170-R423 VanDerWaalsContact CE1-CD 3.45Å; H170-R423 WeakPolarHBondContact CE1-CD 3.34Å; H170-R423 PolarHBondContact NE2-NH1 3.11Å
171P86.5Confident86.3Confident72 Ų7236.7 Ų36.747%0.46821%0.212SC..BIsolated β-bridgetrans-69.3139.6172.230-33.5000110.2D189P171-D189 CarbonylContact C-O 3.49Å; P171-D189 WeakPolarHBondContact CA-O 3.17Å
172V88.3Confident85.4Confident3 Ų343.7 Ų43.72%0.01825%0.245CC..PPolyproline II helixtrans-73.4131.2176.8174.40000109.3L166 C174 F185 R187 G188 D189L166-V172 HydrophobicContact CD1-CG2 3.9Å; L166-V172 HydrophobicContact CD2-CG1 4.33Å; L166-V172 HydrophobicContact CD2-CG2 3.97Å; V172-C174 WeakPolarHBondContact CG1-O 3.24Å; V172-F185 HydrophobicContact CB-CB 4.44Å; V172-F185 HydrophobicContact CG1-CB 4.02Å; V172-F185 HydrophobicContact CG2-CB 4.03Å; V172-F185 HydrophobicContact CG2-CD1 4.34Å; V172-F185 HydrophobicContact CG2-CG 4.29Å; V172-R187 WeakPolarHBondContact O-CA 3.41Å; V172-G188 PolarHBondContact O-N 3.04Å; V172-D189 WeakPolarHBondContact CB-O 3.42Å; V172-D189 HydrophobicContact CG2-CB 4.49Å; V172-D189 VanDerWaalsContact CG2-O 3.28Å; V172-D189 WeakPolarHBondContact CG2-O 3.5Å; V172-D189 PolarHBondContact N-O 3.4Å
173V86.1Confident84.7Confident18 Ų1847.1 Ų47.111%0.10926%0.258CS..  trans-82.1-29.5-173.6-64.50000113.8E140 C142 L158 R187E140-V173 HydrophobicContact CG-CG1 4Å; C142-V173 HydrophobicContact CB-CG2 4.22Å; L158-V173 HydrophobicContact CD1-CG2 3.68Å; V173-R187 VanDerWaalsContact O-CD 3.3Å; V173-R187 WeakPolarHBondContact O-CD 3.46Å; V173-R187 WeakPolarHBondContact O-CG 3.38Å
174C85.8Confident84.4Confident6 Ų650 Ų504%0.04128%0.281CS..SBendtrans-150164.7-175.960.60000111.6V172 C176 V218V172-C174 WeakPolarHBondContact CG1-O 3.24Å; C174-C176 PolarHBondContact O-N 3.42Å; C174-V218 HydrophobicContact CB-CG2 3.57Å
175R88.4Confident84.1Confident107 Ų10751.2 Ų51.240%0.40429%0.286SS..  trans-65.8122.9175.8-171.9-179.5-83.9146.7-13110.4F185 E186 T215 E216R175-F185 VanDerWaalsContact CA-O 3.3Å; R175-F185 WeakPolarHBondContact CA-O 3.5Å; R175-E186 IonicContact CZ-OE1 3.09Å; R175-E186 IonicContact NE-OE1 3.93Å; R175-E186 IonicContact NH2-OE1 2.8Å; R175-E186 PolarHBondContact NH2-OE1 2.88Å; R175-T215 WeakPolarHBondContact CG-OG1 3.23Å; R175-T215 PolarHBondContact O-N 2.94Å; R175-T215 PolarHBondContact O-OG1 2.97Å; R175-E216 HydrophobicContact CB-CB 4.24Å; R175-E216 IonicContact CZ-OE2 3Å; R175-E216 IonicContact NH1-OE2 3.93Å; R175-E216 PolarHBondContact NH1-OE2 3.46Å
176C89.9Confident83.8Confident1 Ų155.2 Ų55.21%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-140.6155.6-177.8570000111.8C174 F185 V212 E213C174-C176 PolarHBondContact O-N 3.42Å; C176-F185 PolarHBondContact N-O 3.01Å; C176-F185 VanDerWaalsContact N-O 3.12Å; C176-F185 PolarHBondContact O-N 3.22Å; C176-V212 HydrophobicContact CB-CB 4.12Å; C176-V212 HydrophobicContact CB-CG2 3.72Å; C176-V212 VanDerWaalsContact SG-CG2 3.55Å; C176-E213 CarbonylContact C-O 3.58Å; C176-E213 WeakPolarHBondContact CA-O 3.44Å; C176-E213 WeakPolarHBondContact CB-O 3.44Å
177H89.7Confident83.5Confident72 Ų7258.6 Ų58.633%0.33332%0.317SS..EExtended strand (participates in β ladder)trans-116141.317566.970000110.8V212 E213 T215H177-V212 WeakPolarHBondContact O-CA 3.48Å; H177-V212 WeakPolarHBondContact O-CB 3.44Å; H177-E213 VanDerWaalsContact CE1-CB 3.47Å; H177-E213 WeakPolarHBondContact CE1-CB 3.36Å; H177-E213 IonicContact CE1-OE2 3.11Å; H177-E213 PolarHBondContact CE1-OE2 3.36Å; H177-E213 PolarHBondContact N-O 2.96Å; H177-E213 IonicContact NE2-OE2 3.23Å; H177-E213 PolarHBondContact O-N 3.47Å; H177-T215 HydrophobicContact CB-CG2 4.37Å; H177-T215 WeakPolarHBondContact CD2-CG2 3.37Å
178S86.3Confident83.1Confident11 Ų1159.1 Ų59.18%0.07733%0.333CS..EExtended strand (participates in β ladder)trans-75.2158166.9-168.20000110.6M180 R183S178-M180 PolarHBondContact O-N 3.15Å; S178-M180 PolarHBondContact OG-N 2.83Å; S178-R183 PolarHBondContact N-O 3.34Å
179A75.5Confident83Confident100 Ų10062.4 Ų62.483%0.82635%0.35SS*.SBendtrans-70.1-18.1166.400000112.2
180M74.4Confident83.1Confident118 Ų11865.3 Ų65.358%0.58137%0.366SS*.SBendtrans-77.6137.9173.8-61.5-68.8-98.900110S178S178-M180 PolarHBondContact O-N 3.15Å; S178-M180 PolarHBondContact OG-N 2.83Å
181P64.4Low83Confident111 Ų11165 Ų6572%0.72136%0.364SS*.THydrogen-bonded Turntrans-58.8143178.223.2-31.1000111.3R183P181-R183 PolarHBondContact O-N 3.19Å
182D69Low82.8Confident169 Ų16966.2 Ų66.290%0.90437%0.366SS*.THydrogen-bonded Turntrans68.218.8175.1-58.9-25.9000118.7
183R77.4Confident82.2Confident72 Ų7266.9 Ų66.927%0.27237%0.37SS..  trans-117.495.2171.2-67.3-163.6-168.4150.615.1113.3S178 P181 F185 E194S178-R183 PolarHBondContact N-O 3.34Å; P181-R183 PolarHBondContact O-N 3.19Å; R183-F185 HydrophobicContact CB-CE2 4.4Å; R183-E194 IonicContact CZ-OE1 2.76Å; R183-E194 IonicContact CZ-OE2 2.72Å; R183-E194 IonicContact NE-OE1 3.46Å; R183-E194 PolarHBondContact NE-OE1 3.42Å; R183-E194 VanDerWaalsContact NE-OE1 3.12Å; R183-E194 IonicContact NH2-OE1 3.93Å; R183-E194 PolarHBondContact NH2-OE1 3.06Å; R183-E194 IonicContact NH2-OE2 2.6Å; R183-E194 PolarHBondContact NH2-OE2 3.4Å
184S85.6Confident81.2Confident94 Ų9472.6 Ų72.666%0.65740%0.396SS*.EExtended strand (participates in β ladder)trans-105.514016658.60000110.3
185F87.1Confident79.7Confident26 Ų2679.6 Ų79.611%0.11443%0.433CS..EExtended strand (participates in β ladder)trans-114.8139.4175.1-58.5-87.2000110.3L166 V172 R175 C176 R183 D189 Y191 L210 V212L166-F185 HydrophobicContact CD1-CD2 3.81Å; L166-F185 HydrophobicContact CD1-CE2 3.95Å; L166-F185 HydrophobicContact CD1-CG 4.16Å; L166-F185 HydrophobicContact CD1-CZ 4.4Å; V172-F185 HydrophobicContact CB-CB 4.44Å; V172-F185 HydrophobicContact CG1-CB 4.02Å; V172-F185 HydrophobicContact CG2-CB 4.03Å; V172-F185 HydrophobicContact CG2-CD1 4.34Å; V172-F185 HydrophobicContact CG2-CG 4.29Å; R175-F185 VanDerWaalsContact CA-O 3.3Å; R175-F185 WeakPolarHBondContact CA-O 3.5Å; C176-F185 PolarHBondContact N-O 3.01Å; C176-F185 VanDerWaalsContact N-O 3.12Å; C176-F185 PolarHBondContact O-N 3.22Å; R183-F185 HydrophobicContact CB-CE2 4.4Å; F185-D189 HydrophobicContact CD1-CB 4.47Å; F185-Y191 HydrophobicContact CE1-CD2 4.3Å; F185-Y191 HydrophobicContact CZ-CD2 4.11Å; F185-L210 HydrophobicContact CE2-CD2 3.66Å; F185-L210 HydrophobicContact CZ-CD2 3.75Å; F185-V212 HydrophobicContact CD2-CG1 4.33Å; F185-V212 HydrophobicContact CE2-CG1 4.15Å
186E87Confident78.1Confident101 Ų10176.6 Ų76.647%0.47243%0.427SS..  trans-96.3164.1169.4-60.1-149.2138.400111.6R175 G188 D189R175-E186 IonicContact CZ-OE1 3.09Å; R175-E186 IonicContact NE-OE1 3.93Å; R175-E186 IonicContact NH2-OE1 2.8Å; R175-E186 PolarHBondContact NH2-OE1 2.88Å; E186-G188 PolarHBondContact O-N 3.48Å; E186-D189 PolarHBondContact N-OD2 3.27Å; E186-D189 WeakPolarHBondContact O-CB 3.26Å; E186-D189 PolarHBondContact O-N 2.94Å; E186-D189 VanDerWaalsContact O-N 3.15Å
187R84.4Confident76.1Confident81 Ų8187.3 Ų87.331%0.30647%0.467SS..THydrogen-bonded Turntrans-63127.2176.5179.1174.6-176.1176.24.9109.9E140 V172 V173E140-R187 IonicContact OE1-NH2 3.29Å; E140-R187 IonicContact OE2-NH2 2.73Å; V172-R187 WeakPolarHBondContact O-CA 3.41Å; V173-R187 VanDerWaalsContact O-CD 3.3Å; V173-R187 WeakPolarHBondContact O-CD 3.46Å; V173-R187 WeakPolarHBondContact O-CG 3.38Å
188G81.5Confident74.3Confident46 Ų4687.7 Ų87.747%0.47447%0.468SS..THydrogen-bonded Turntrans95.3-13.5-178.400000114.2V172 E186V172-G188 PolarHBondContact O-N 3.04Å; E186-G188 PolarHBondContact O-N 3.48Å
189D85.9Confident72.2Confident70 Ų7090.6 Ų90.637%0.37449%0.488SS..  trans-61.2145.1170.9-70.4-14.2000109.8P171 V172 F185 E186P171-D189 CarbonylContact C-O 3.49Å; P171-D189 WeakPolarHBondContact CA-O 3.17Å; V172-D189 WeakPolarHBondContact CB-O 3.42Å; V172-D189 HydrophobicContact CG2-CB 4.49Å; V172-D189 VanDerWaalsContact CG2-O 3.28Å; V172-D189 WeakPolarHBondContact CG2-O 3.5Å; V172-D189 PolarHBondContact N-O 3.4Å; F185-D189 HydrophobicContact CD1-CB 4.47Å; E186-D189 PolarHBondContact N-OD2 3.27Å; E186-D189 WeakPolarHBondContact O-CB 3.26Å; E186-D189 PolarHBondContact O-N 2.94Å; E186-D189 VanDerWaalsContact O-N 3.15Å
190V84.7Confident70.9Confident69 Ų6991.2 Ų91.242%0.41849%0.486SS..BIsolated β-bridgetrans-101.7125.1178.1-179.60000108.5L192V190-L192 HydrophobicContact CG1-CD2 4.33Å; V190-L192 HydrophobicContact CG1-CG 4.33Å; V190-L192 PolarHBondContact O-N 2.7Å; V190-L192 VanDerWaalsContact O-N 3.16Å
191Y85Confident69.7Low18 Ų1891 Ų917%0.07149%0.487CS..  trans-69.9114.3174.7171.7-123.8000110.3L166 P168 G169 H170 F185 P193 E208 L210L166-Y191 HydrophobicContact CB-CD1 4.06Å; L166-Y191 HydrophobicContact CB-CG 4.1Å; L166-Y191 WeakPolarHBondContact O-CD1 3.45Å; P168-Y191 HydrophobicContact CG-CD1 4.48Å; P168-Y191 HydrophobicContact CG-CE1 4.14Å; G169-Y191 PolarHBondContact N-O 3.28Å; H170-Y191 PolarHBondContact O-N 3.47Å; F185-Y191 HydrophobicContact CE1-CD2 4.3Å; F185-Y191 HydrophobicContact CZ-CD2 4.11Å; Y191-P193 HydrophobicContact CE1-CG 3.99Å; Y191-P193 HydrophobicContact CE2-CG 4.47Å; Y191-E208 PolarHBondContact OH-O 3.46Å; Y191-L210 HydrophobicContact CD1-CB 4.35Å; Y191-L210 HydrophobicContact CD2-CB 4.26Å; Y191-L210 HydrophobicContact CD2-CD2 4.08Å; Y191-L210 HydrophobicContact CE1-CB 3.79Å; Y191-L210 HydrophobicContact CE2-CB 3.68Å; Y191-L210 HydrophobicContact CE2-CD2 3.72Å; Y191-L210 HydrophobicContact CE2-CG 4.31Å; Y191-L210 VanDerWaalsContact CZ-CB 3.43Å
192L82.4Confident69.7Low97 Ų9788.2 Ų88.251%0.50847%0.47SS..  trans-119.4116.1175.6-65.6170.2000108.4V190 V424V190-L192 HydrophobicContact CG1-CD2 4.33Å; V190-L192 HydrophobicContact CG1-CG 4.33Å; V190-L192 PolarHBondContact O-N 2.7Å; V190-L192 VanDerWaalsContact O-N 3.16Å; L192-V424 HydrophobicContact CD2-CG1 3.88Å; L192-V424 HydrophobicContact CD2-CG2 4.34Å
193P76.9Confident69.9Low17 Ų1782.3 Ų82.311%0.1144%0.442CS..  trans-63139176.7-22.333.8000111.8P168 Y191 N195 V196 L207P168-P193 HydrophobicContact CB-CG 4.38Å; Y191-P193 HydrophobicContact CE1-CG 3.99Å; Y191-P193 HydrophobicContact CE2-CG 4.47Å; P193-N195 PolarHBondContact O-N 3.36Å; P193-V196 WeakPolarHBondContact O-CG2 3.39Å; P193-L207 HydrophobicContact CB-CD2 4.13Å; P193-L207 HydrophobicContact CG-CB 4.31Å; P193-L207 HydrophobicContact CG-CD1 4.25Å; P193-L207 HydrophobicContact CG-CD2 3.98Å; P193-L207 HydrophobicContact CG-CG 4.39Å
194E64.6Low69.9Low139 Ų13980.8 Ų80.865%0.6544%0.441SS*.THydrogen-bonded Turntrans-67.5-20.3-178.1-81178.8-165.400114.2R183 V196R183-E194 IonicContact CZ-OE1 2.76Å; R183-E194 IonicContact CZ-OE2 2.72Å; R183-E194 IonicContact NE-OE1 3.46Å; R183-E194 PolarHBondContact NE-OE1 3.42Å; R183-E194 VanDerWaalsContact NE-OE1 3.12Å; R183-E194 IonicContact NH2-OE1 3.93Å; R183-E194 PolarHBondContact NH2-OE1 3.06Å; R183-E194 IonicContact NH2-OE2 2.6Å; R183-E194 PolarHBondContact NH2-OE2 3.4Å; E194-V196 PolarHBondContact O-N 3.33Å
195N54.7Low69.6Low152 Ų15280 Ų8081%0.81344%0.435SS*.THydrogen-bonded Turntrans-81.815.8-177.7-75.3-15.9000114.4P193 R197P193-N195 PolarHBondContact O-N 3.36Å; N195-R197 PolarHBondContact O-N 3.28Å
196V53.7Low69.2Low45 Ų4581 Ų8127%0.27344%0.444SS..  trans-77.755.9171.1-167.40000109.8P193 E194 F198 L207 V424P193-V196 WeakPolarHBondContact O-CG2 3.39Å; E194-V196 PolarHBondContact O-N 3.33Å; V196-F198 HydrophobicContact CG1-CD1 4.15Å; V196-F198 HydrophobicContact CG1-CD2 3.97Å; V196-F198 HydrophobicContact CG1-CE1 3.55Å; V196-F198 HydrophobicContact CG1-CE2 3.37Å; V196-F198 HydrophobicContact CG1-CG 4.34Å; V196-F198 HydrophobicContact CG1-CZ 3.14Å; V196-F198 PolarHBondContact O-N 2.84Å; V196-L207 HydrophobicContact CG2-CD2 4.42Å; V196-V424 HydrophobicContact CG2-CG1 4.16Å
197R47.6Very low69.2Low225 Ų22577.6 Ų77.685%0.84943%0.429SS*.  trans-87.799.8158.5-73.3-171.4-176.6-1752.4106N195 S199N195-R197 PolarHBondContact O-N 3.28Å; R197-S199 PolarHBondContact O-N 2.83Å
198F51.4Low69.2Low80 Ų8081 Ų8135%0.35145%0.448SS..  trans-64.179173.5-62.5-68.5000110.2V196 I425 R470V196-F198 HydrophobicContact CG1-CD1 4.15Å; V196-F198 HydrophobicContact CG1-CD2 3.97Å; V196-F198 HydrophobicContact CG1-CE1 3.55Å; V196-F198 HydrophobicContact CG1-CE2 3.37Å; V196-F198 HydrophobicContact CG1-CG 4.34Å; V196-F198 HydrophobicContact CG1-CZ 3.14Å; V196-F198 PolarHBondContact O-N 2.84Å; F198-I425 HydrophobicContact CE1-CD1 3.49Å; F198-I425 VanDerWaalsContact CE1-CD1 3.49Å; F198-I425 HydrophobicContact CZ-CD1 3.85Å; F198-R470 VanDerWaalsContact CD1-NH1 3.27Å
199S43Very low69.4Low72 Ų7280.8 Ų80.850%0.50344%0.439SS..  trans-68.1148.9168.167.40000109R197 L201R197-S199 PolarHBondContact O-N 2.83Å; S199-L201 PolarHBondContact O-N 2.89Å
200S49.2Very low69.6Low113 Ų11378.7 Ų78.779%0.7943%0.427SS*.SBendtrans-68.420.9-176.357.60000114.8
201L49Very low69.9Low115 Ų11577.5 Ų77.560%0.60242%0.42SS*.  trans-86.1134.3177.9-84139.9000109.5S199 S203S199-L201 PolarHBondContact O-N 2.89Å; L201-S203 VanDerWaalsContact C-N 3.28Å; L201-S203 PolarHBondContact O-N 3.21Å
202S64.5Low70.2Confident51 Ų5176.8 Ų76.836%0.35742%0.418SS..SBendtrans-70.7-18.3-17736.60000113.7Y573 D574S202-Y573 CarbonylContact O-C 3.59Å; S202-Y573 VanDerWaalsContact O-CA 3.25Å; S202-Y573 WeakPolarHBondContact O-CA 3.47Å; S202-Y573 WeakPolarHBondContact O-CD1 3.23Å; S202-D574 PolarHBondContact O-N 2.88Å
203S71.8Confident70.7Confident46 Ų4676 Ų7632%0.32241%0.411SS..EExtended strand (participates in β ladder)trans-107.3139172.379.50000111.9L201 D571 Y572L201-S203 VanDerWaalsContact C-N 3.28Å; L201-S203 PolarHBondContact O-N 3.21Å; S203-D571 PolarHBondContact OG-OD2 3.31Å; S203-Y572 CarbonylContact C-O 3.56Å; S203-Y572 WeakPolarHBondContact CA-O 3.39Å
204V77.2Confident71.3Confident40 Ų4075.2 Ų75.224%0.24241%0.406CS..EExtended strand (participates in β ladder)trans-134.8123.1-175.4-177.10000108.5Y572 D574V204-Y572 PolarHBondContact N-O 2.85Å; V204-Y572 PolarHBondContact O-N 3.15Å; V204-D574 HydrophobicContact CG2-CB 4.28Å
205S79.7Confident72.3Confident76 Ų7671.4 Ų71.453%0.53139%0.393SS..PPolyproline II helixtrans-63144.9177.3590000112.1D571S205-D571 WeakPolarHBondContact CA-OD1 3.41Å
206P80.1Confident73.7Confident48 Ų4868.2 Ų68.231%0.31237%0.373SS..PPolyproline II helixtrans-58.2142.8177.522.9-32.5000110.9E208 D570 Y572P206-E208 PolarHBondContact O-N 2.93Å; P206-D570 WeakPolarHBondContact CD-O 3.47Å; P206-D570 WeakPolarHBondContact CG-O 3.31Å; P206-Y572 HydrophobicContact CB-CD2 4.28Å; P206-Y572 HydrophobicContact CB-CE1 4.44Å; P206-Y572 HydrophobicContact CB-CE2 3.62Å
207L86Confident74.6Confident29 Ų2967.6 Ų67.615%0.15237%0.371CS..PPolyproline II helixtrans-77.9127.1179.7-68.7175.7000109.5P168 P193 V196 H421 V424P168-L207 HydrophobicContact CB-CB 3.98Å; P168-L207 HydrophobicContact CB-CD1 4.26Å; P168-L207 HydrophobicContact CG-CB 3.72Å; P193-L207 HydrophobicContact CB-CD2 4.13Å; P193-L207 HydrophobicContact CG-CB 4.31Å; P193-L207 HydrophobicContact CG-CD1 4.25Å; P193-L207 HydrophobicContact CG-CD2 3.98Å; P193-L207 HydrophobicContact CG-CG 4.39Å; V196-L207 HydrophobicContact CG2-CD2 4.42Å; L207-H421 WeakPolarHBondContact CG-ND1 3.16Å; L207-V424 HydrophobicContact CD1-CB 3.73Å; L207-V424 HydrophobicContact CD1-CG1 3.82Å; L207-V424 HydrophobicContact CD1-CG2 3.75Å
208E84Confident75.7Confident153 Ų15357.3 Ų57.372%0.71533%0.333SS*.PPolyproline II helixtrans-86.8143.9-178-65.5-170164.800112.6Y191 P206Y191-E208 PolarHBondContact OH-O 3.46Å; P206-E208 PolarHBondContact O-N 2.93Å
209P87.1Confident76.5Confident42 Ų4254.3 Ų54.327%0.27332%0.32SS..PPolyproline II helixtrans-67.9144.7172.429.4-33.6000111.3L165 L166L165-P209 HydrophobicContact CB-CB 4.39Å; L165-P209 HydrophobicContact CD2-CB 4.41Å; L165-P209 HydrophobicContact CD2-CG 4.46Å; L166-P209 CarbonylContact O-C 3.51Å; L166-P209 WeakPolarHBondContact O-CA 3.39Å; L166-P209 WeakPolarHBondContact O-CB 3.43Å
210L89.3Confident77.1Confident25 Ų2555.6 Ų55.613%0.13132%0.318CS..EExtended strand (participates in β ladder)trans-95126.1177.4179.467000110.9L166 F185 Y191 V212L166-L210 HydrophobicContact CB-CB 4.37Å; L166-L210 PolarHBondContact N-O 3.14Å; L166-L210 PolarHBondContact O-N 2.87Å; F185-L210 HydrophobicContact CE2-CD2 3.66Å; F185-L210 HydrophobicContact CZ-CD2 3.75Å; Y191-L210 HydrophobicContact CD1-CB 4.35Å; Y191-L210 HydrophobicContact CD2-CB 4.26Å; Y191-L210 HydrophobicContact CD2-CD2 4.08Å; Y191-L210 HydrophobicContact CE1-CB 3.79Å; Y191-L210 HydrophobicContact CE2-CB 3.68Å; Y191-L210 HydrophobicContact CE2-CD2 3.72Å; Y191-L210 HydrophobicContact CE2-CG 4.31Å; Y191-L210 VanDerWaalsContact CZ-CB 3.43Å; L210-V212 HydrophobicContact CD2-CG1 3.86Å; L210-V212 HydrophobicContact CG-CG1 3.84Å
211T90.7Very high77.3Confident44 Ų4456.5 Ų56.527%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-77.8126171.8-49.40000110.5M1 I163 L165M1-T211 HydrophobicContact CE-CG2 4.19Å; M1-T211 HydrophobicContact SD-CG2 3.81Å; I163-T211 HydrophobicContact CG2-CG2 3.29Å; L165-T211 WeakPolarHBondContact CD2-OG1 3.33Å
212V91.3Very high77.2Confident3 Ų352.4 Ų52.42%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-137.8155.8179-58.30000110.5I163 I164 L166 C176 H177 F185 L210I163-V212 WeakPolarHBondContact CA-O 3.39Å; I164-V212 HydrophobicContact CD1-CG2 3.84Å; I164-V212 HydrophobicContact CG1-CG2 3.34Å; I164-V212 PolarHBondContact N-O 2.74Å; I164-V212 PolarHBondContact O-N 2.92Å; L166-V212 HydrophobicContact CD1-CB 4.42Å; L166-V212 HydrophobicContact CD1-CG1 3.71Å; L166-V212 HydrophobicContact CD1-CG2 3.83Å; L166-V212 HydrophobicContact CD2-CG2 4Å; L166-V212 HydrophobicContact CG-CG1 4.12Å; L166-V212 HydrophobicContact CG-CG2 3.58Å; C176-V212 HydrophobicContact CB-CB 4.12Å; C176-V212 HydrophobicContact CB-CG2 3.72Å; C176-V212 VanDerWaalsContact SG-CG2 3.55Å; H177-V212 WeakPolarHBondContact O-CA 3.48Å; H177-V212 WeakPolarHBondContact O-CB 3.44Å; F185-V212 HydrophobicContact CD2-CG1 4.33Å; F185-V212 HydrophobicContact CE2-CG1 4.15Å; L210-V212 HydrophobicContact CD2-CG1 3.86Å; L210-V212 HydrophobicContact CG-CG1 3.84Å
213E92.2Very high76.3Confident80 Ų8057.2 Ų57.237%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-102.4134.4176-177.9178.5170.400110.3D162 C176 H177D162-E213 CarbonylContact O-C 3.51Å; D162-E213 WeakPolarHBondContact O-CA 3.39Å; C176-E213 CarbonylContact C-O 3.58Å; C176-E213 WeakPolarHBondContact CA-O 3.44Å; C176-E213 WeakPolarHBondContact CB-O 3.44Å; H177-E213 VanDerWaalsContact CE1-CB 3.47Å; H177-E213 WeakPolarHBondContact CE1-CB 3.36Å; H177-E213 IonicContact CE1-OE2 3.11Å; H177-E213 PolarHBondContact CE1-OE2 3.36Å; H177-E213 PolarHBondContact N-O 2.96Å; H177-E213 IonicContact NE2-OE2 3.23Å; H177-E213 PolarHBondContact O-N 3.47Å
214V90.4Very high75.1Confident1 Ų158.1 Ų58.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-74.8128.1179176.30000109.8P160 G161 D162 I164 E216P160-V214 CarbonylContact C-O 3.32Å; P160-V214 WeakPolarHBondContact CA-O 2.96Å; G161-V214 PolarHBondContact N-O 3.46Å; D162-V214 HydrophobicContact CB-CB 4.24Å; D162-V214 HydrophobicContact CB-CG2 4.08Å; D162-V214 WeakPolarHBondContact O-CG2 3.38Å; D162-V214 PolarHBondContact O-N 3.14Å; I164-V214 HydrophobicContact CD1-CG2 3.88Å; I164-V214 HydrophobicContact CG1-CG2 4.05Å; I164-V214 HydrophobicContact CG2-CG2 3.75Å; V214-E216 VanDerWaalsContact CG1-O 3.25Å; V214-E216 WeakPolarHBondContact CG1-O 3.43Å
215T86.2Confident73.7Confident60 Ų6058.4 Ų58.437%0.36831%0.307SS..  trans-99-31.2179.258.50000113.3R175 H177R175-T215 WeakPolarHBondContact CG-OG1 3.23Å; R175-T215 PolarHBondContact O-N 2.94Å; R175-T215 PolarHBondContact O-OG1 2.97Å; H177-T215 HydrophobicContact CB-CG2 4.37Å; H177-T215 WeakPolarHBondContact CD2-CG2 3.37Å
216E82.5Confident71.9Confident85 Ų8558.4 Ų58.440%0.39732%0.319SS..SBendtrans-131.7137.3-172.9-167.2171.9-18000109.8R175 V214R175-E216 HydrophobicContact CB-CB 4.24Å; R175-E216 IonicContact CZ-OE2 3Å; R175-E216 IonicContact NH1-OE2 3.93Å; R175-E216 PolarHBondContact NH1-OE2 3.46Å; V214-E216 VanDerWaalsContact CG1-O 3.25Å; V214-E216 WeakPolarHBondContact CG1-O 3.43Å
217S74Confident70.1Confident32 Ų3258.6 Ų58.622%0.22433%0.325CS..  trans-67.7144175.855.90000111.1L219S217-L219 PolarHBondContact O-N 3.42Å
218V70.5Confident68.4Low8 Ų862.2 Ų62.25%0.04834%0.341CS..SBendtrans-69.7-12.8174.7177.20000112.6S155 L158 C174 Q220 P779S155-V218 VanDerWaalsContact O-CB 3.3Å; S155-V218 WeakPolarHBondContact O-CB 3.47Å; S155-V218 VanDerWaalsContact O-CG2 3.24Å; S155-V218 WeakPolarHBondContact O-CG2 3.45Å; L158-V218 HydrophobicContact CB-CG2 4.41Å; L158-V218 HydrophobicContact CD1-CG2 4.26Å; C174-V218 HydrophobicContact CB-CG2 3.57Å; V218-Q220 PolarHBondContact O-N 3.12Å; V218-P779 HydrophobicContact CG1-CB 4.22Å; V218-P779 HydrophobicContact CG1-CG 3.99Å
219L67.7Low66.7Low18 Ų1856.2 Ų56.29%0.09431%0.314CS..SBendtrans-56.389.3167.1-127.2110.4000107.5L13 L17 E20 V156 S217 K221 I823L13-L219 HydrophobicContact CD1-CD1 4.18Å; L17-L219 HydrophobicContact CD2-CD1 4.09Å; L17-L219 HydrophobicContact CD2-CD2 3.84Å; L17-L219 HydrophobicContact CG-CD1 4.19Å; L17-L219 HydrophobicContact CG-CD2 4.28Å; E20-L219 HydrophobicContact CG-CD2 4.24Å; V156-L219 HydrophobicContact CG2-CD1 4.41Å; S217-L219 PolarHBondContact O-N 3.42Å; L219-K221 PolarHBondContact O-N 3.45Å; L219-I823 HydrophobicContact CD1-CG2 4.05Å
220Q56.4Low65.2Low98 Ų9855.5 Ų55.546%0.45831%0.308SS..  trans-51.7132.1174-93.1176.4-24.600105.4V218 C222V218-Q220 PolarHBondContact O-N 3.12Å; Q220-C222 VanDerWaalsContact C-N 3.33Å; Q220-C222 WeakPolarHBondContact O-CA 3.49Å; Q220-C222 PolarHBondContact O-N 3.3Å; Q220-C222 PolarHBondContact O-SG 3.45Å
221K51.8Low63.5Low133 Ų13355.7 Ų55.758%0.57831%0.311SS*.  trans-40.7109.2163.9-70.9178.7-178.4174.30105.2L219 H223L219-K221 PolarHBondContact O-N 3.45Å; K221-H223 WeakPolarHBondContact CB-CD2 3.41Å; K221-H223 PolarHBondContact O-N 3.02Å
222C48.1Very low61.8Low28 Ų2855.1 Ų55.119%0.18931%0.308CS..  trans-77.861.1-166.2-74.50000108.8F24 Q220 V224 F225F24-C222 HydrophobicContact CE2-CB 4.35Å; F24-C222 HydrophobicContact CZ-CB 4.12Å; F24-C222 VanDerWaalsContact CZ-O 3.22Å; F24-C222 WeakPolarHBondContact CZ-O 3.17Å; Q220-C222 VanDerWaalsContact C-N 3.33Å; Q220-C222 WeakPolarHBondContact O-CA 3.49Å; Q220-C222 PolarHBondContact O-N 3.3Å; Q220-C222 PolarHBondContact O-SG 3.45Å; C222-V224 PolarHBondContact O-N 3.3Å; C222-F225 HydrophobicContact CB-CD2 3.22Å; C222-F225 HydrophobicContact CB-CE2 3.1Å; C222-F225 HydrophobicContact CB-CG 4.38Å; C222-F225 HydrophobicContact CB-CZ 4.19Å; C222-F225 WeakPolarHBondContact O-CD2 3.4Å; C222-F225 PolarHBondContact O-N 3.48Å; C222-F225 VanDerWaalsContact SG-CE2 3.57Å
223H45.4Very low60.3Low152 Ų15257 Ų5770%0.70432%0.318SS*.THydrogen-bonded Turntrans-67.10.3-176.6-84.7-59.3000112.3K221K221-H223 WeakPolarHBondContact CB-CD2 3.41Å; K221-H223 PolarHBondContact O-N 3.02Å
224V47.1Very low58.9Low65 Ų6556.7 Ų56.739%0.39432%0.316SS..THydrogen-bonded Turntrans-109.326.1-179.4-147.50000112.4C222 C786C222-V224 PolarHBondContact O-N 3.3Å; V224-C786 HydrophobicContact CB-CB 3.55Å; V224-C786 HydrophobicContact CG1-CB 3.25Å; V224-C786 VanDerWaalsContact O-CB 3.28Å; V224-C786 WeakPolarHBondContact O-CB 3.47Å; V224-C786 PolarHBondContact O-SG 3.13Å
225F48.1Very low57.6Low46 Ų4659.2 Ų59.220%0.20233%0.327CS..SBendtrans-92.912.1171.9-75.1-52.3000114.7F24 L104 C222 L826 P827F24-F225 HydrophobicContact CE1-CB 4.41Å; F24-F225 HydrophobicContact CE2-CD2 4.47Å; F24-F225 HydrophobicContact CZ-CD2 4.24Å; L104-F225 HydrophobicContact CD1-CD1 3.64Å; L104-F225 HydrophobicContact CD1-CE1 3.26Å; L104-F225 HydrophobicContact CD1-CE2 4.35Å; L104-F225 HydrophobicContact CD1-CG 4.37Å; L104-F225 HydrophobicContact CD1-CZ 3.69Å; L104-F225 HydrophobicContact CD2-CB 3.44Å; L104-F225 VanDerWaalsContact CD2-CB 3.44Å; L104-F225 HydrophobicContact CD2-CD1 3.16Å; L104-F225 HydrophobicContact CD2-CD2 3.56Å; L104-F225 HydrophobicContact CD2-CE1 3.69Å; L104-F225 HydrophobicContact CD2-CE2 4Å; L104-F225 HydrophobicContact CD2-CG 3.12Å; L104-F225 HydrophobicContact CD2-CZ 4.09Å; L104-F225 HydrophobicContact CG-CD1 3.99Å; L104-F225 HydrophobicContact CG-CE1 4.07Å; L104-F225 HydrophobicContact CG-CG 4.31Å; L104-F225 HydrophobicContact CG-CZ 4.42Å; C222-F225 HydrophobicContact CB-CD2 3.22Å; C222-F225 HydrophobicContact CB-CE2 3.1Å; C222-F225 HydrophobicContact CB-CG 4.38Å; C222-F225 HydrophobicContact CB-CZ 4.19Å; C222-F225 WeakPolarHBondContact O-CD2 3.4Å; C222-F225 PolarHBondContact O-N 3.48Å; C222-F225 VanDerWaalsContact SG-CE2 3.57Å; F225-L826 HydrophobicContact CZ-CB 4.17Å; F225-P827 HydrophobicContact CE1-CB 3.98Å
226G41.1Very low56.5Low76 Ų7658.6 Ų58.678%0.78432%0.32SS*.SBendtrans-105.5-6-172.200000117.1
227A42.8Very low55.9Low53 Ų5355.4 Ų55.444%0.43831%0.305SS..  trans-115.478.4-176.400000110.5T229A227-T229 VanDerWaalsContact C-N 3.3Å; A227-T229 PolarHBondContact O-N 2.74Å
228H48.8Very low55.7Low105 Ų10556.2 Ų56.249%0.48631%0.305SS..  trans-59.4101.8160.3-85.7-85.8000107.6I230H228-I230 PolarHBondContact O-N 3.25Å; H228-I230 VanDerWaalsContact O-N 3.1Å
229T50Low55.7Low26 Ų2656.9 Ų56.916%0.1631%0.308CS..  trans-64.7113.7170.156.90000107.2A227 S231 N789A227-T229 VanDerWaalsContact C-N 3.3Å; A227-T229 PolarHBondContact O-N 2.74Å; T229-S231 PolarHBondContact O-N 3.37Å; T229-N789 WeakPolarHBondContact OG1-CA 3.3Å; T229-N789 PolarHBondContact OG1-O 2.9Å
230I54.2Low56.1Low27 Ų2758.2 Ų58.214%0.13832%0.315CS..  trans-49.7128.9178.7-60.2160.8000108.7N44 H228 E234 K235N44-I230 HydrophobicContact CB-CD1 3.47Å; N44-I230 VanDerWaalsContact CB-CD1 3.47Å; N44-I230 HydrophobicContact CB-CG1 4.36Å; H228-I230 PolarHBondContact O-N 3.25Å; H228-I230 VanDerWaalsContact O-N 3.1Å; I230-E234 HydrophobicContact CG2-CB 3.49Å; I230-E234 VanDerWaalsContact CG2-CB 3.49Å; I230-K235 HydrophobicContact CG2-CB 4Å
231S55.1Low57Low30 Ų3053.6 Ų53.621%0.2129%0.293CS..  trans-61.1147.2177.768.40000109.6T229 L233 E234 K235T229-S231 PolarHBondContact O-N 3.37Å; S231-L233 PolarHBondContact O-N 3.25Å; S231-E234 WeakPolarHBondContact CB-OE2 3.37Å; S231-E234 PolarHBondContact N-OE2 2.91Å; S231-E234 PolarHBondContact O-N 2.93Å; S231-E234 WeakPolarHBondContact OG-CB 3.35Å; S231-E234 WeakPolarHBondContact OG-CG 3.28Å; S231-E234 PolarHBondContact OG-N 3.35Å; S231-E234 VanDerWaalsContact OG-N 3.14Å; S231-E234 PolarHBondContact OG-OE2 3.37Å; S231-K235 PolarHBondContact O-N 2.83Å
232P54.4Low58Low31 Ų3148.5 Ų48.520%0.20127%0.272CS..Hα-helixtrans-54.6-29.6176.9-25.433.2000112.9E236 V769P232-E236 WeakPolarHBondContact O-CG 3.29Å; P232-E236 PolarHBondContact O-N 3.35Å; P232-E236 VanDerWaalsContact O-N 3.08Å; P232-V769 HydrophobicContact CG-CG1 3.82Å; P232-V769 HydrophobicContact CG-CG2 3.91Å
233L59.4Low59.3Low43 Ų4349.5 Ų49.523%0.22528%0.279CS..Hα-helixtrans-69.1-49176.2179.261.2000112.3S231 K235 E236 Y237 L851 F854S231-L233 PolarHBondContact O-N 3.25Å; L233-K235 VanDerWaalsContact C-N 3.26Å; L233-K235 PolarHBondContact O-N 3.41Å; L233-E236 PolarHBondContact O-N 2.89Å; L233-Y237 WeakPolarHBondContact O-CB 3.1Å; L233-Y237 PolarHBondContact O-N 2.97Å; L233-L851 HydrophobicContact CB-CD1 3.59Å; L233-L851 HydrophobicContact CD1-CD1 3.37Å; L233-L851 HydrophobicContact CD2-CD1 3.87Å; L233-L851 HydrophobicContact CG-CD1 3.76Å; L233-F854 HydrophobicContact CD1-CD1 3.41Å; L233-F854 VanDerWaalsContact CD1-CD1 3.41Å; L233-F854 HydrophobicContact CD1-CE1 3.53Å; L233-F854 HydrophobicContact CD2-CD1 3.88Å; L233-F854 HydrophobicContact CD2-CE1 3.94Å; L233-F854 HydrophobicContact CD2-CG 4.38Å; L233-F854 HydrophobicContact CD2-CZ 4.47Å; L233-F854 HydrophobicContact CG-CD1 4.22Å; L233-F854 HydrophobicContact CG-CE1 4.12Å
234E62Low60.8Low73 Ų7344.1 Ų44.134%0.34126%0.258SS..Hα-helixtrans-60.8-40.4177.2-75.5161.315500110.9I230 S231 E236 Y237 E238I230-E234 HydrophobicContact CG2-CB 3.49Å; I230-E234 VanDerWaalsContact CG2-CB 3.49Å; S231-E234 WeakPolarHBondContact CB-OE2 3.37Å; S231-E234 PolarHBondContact N-OE2 2.91Å; S231-E234 PolarHBondContact O-N 2.93Å; S231-E234 WeakPolarHBondContact OG-CB 3.35Å; S231-E234 WeakPolarHBondContact OG-CG 3.28Å; S231-E234 PolarHBondContact OG-N 3.35Å; S231-E234 VanDerWaalsContact OG-N 3.14Å; S231-E234 PolarHBondContact OG-OE2 3.37Å; E234-E236 PolarHBondContact O-N 3.5Å; E234-Y237 WeakPolarHBondContact O-CB 3.4Å; E234-Y237 PolarHBondContact O-N 3.3Å; E234-E238 WeakPolarHBondContact O-CB 3.12Å; E234-E238 WeakPolarHBondContact O-CG 3.28Å; E234-E238 PolarHBondContact O-N 2.93Å
235K63.5Low62.4Low54 Ų5441.8 Ų41.824%0.23524%0.242CC..Hα-helixtrans-65.3-39.3177.2-173.6165166-159.30112.4I230 S231 L233 L239 N921 K922I230-K235 HydrophobicContact CG2-CB 4Å; S231-K235 PolarHBondContact O-N 2.83Å; L233-K235 VanDerWaalsContact C-N 3.26Å; L233-K235 PolarHBondContact O-N 3.41Å; K235-L239 WeakPolarHBondContact O-CB 3.45Å; K235-L239 PolarHBondContact O-N 3.46Å; K235-N921 WeakPolarHBondContact CD-OD1 3.48Å; K235-N921 VanDerWaalsContact CE-OD1 3.23Å; K235-N921 WeakPolarHBondContact CE-OD1 3.49Å; K235-N921 PolarHBondContact NZ-OD1 3.43Å; K235-K922 VanDerWaalsContact CE-O 3.24Å; K235-K922 WeakPolarHBondContact CE-O 3.25Å
236E64.6Low63.9Low47 Ų4740.8 Ų40.822%0.2224%0.238CC..Hα-helixtrans-64.7-41.4172.4-81.2-174169.800112.2P232 L233 E234 L239 I240 R855P232-E236 WeakPolarHBondContact O-CG 3.29Å; P232-E236 PolarHBondContact O-N 3.35Å; P232-E236 VanDerWaalsContact O-N 3.08Å; L233-E236 PolarHBondContact O-N 2.89Å; E234-E236 PolarHBondContact O-N 3.5Å; E236-L239 PolarHBondContact O-N 2.7Å; E236-I240 WeakPolarHBondContact O-CB 3.23Å; E236-I240 VanDerWaalsContact O-CG1 3.28Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 2.91Å; E236-R855 IonicContact OE1-CZ 3.12Å; E236-R855 VanDerWaalsContact OE1-CZ 3.27Å; E236-R855 IonicContact OE1-NE 3.37Å; E236-R855 IonicContact OE1-NH1 3.18Å; E236-R855 IonicContact OE1-NH2 3.62Å; E236-R855 PolarHBondContact OE1-NH2 3.47Å; E236-R855 IonicContact OE2-CZ 3.59Å; E236-R855 IonicContact OE2-NE 3.63Å; E236-R855 PolarHBondContact OE2-NE 2.88Å; E236-R855 IonicContact OE2-NH2 3.05Å; E236-R855 PolarHBondContact OE2-NH2 3.01Å
237Y69.5Low65.7Low18 Ų1843.2 Ų43.27%0.07123%0.227CC..Hα-helixtrans-60.5-51.3176.3-179.7-86.9000110.9V48 L233 E234 L239 I240 L241 P293 F858V48-Y237 HydrophobicContact CB-CE1 4.33Å; V48-Y237 HydrophobicContact CG1-CE1 3.88Å; V48-Y237 HydrophobicContact CG1-CE2 4.23Å; V48-Y237 WeakPolarHBondContact CG1-OH 2.99Å; L233-Y237 WeakPolarHBondContact O-CB 3.1Å; L233-Y237 PolarHBondContact O-N 2.97Å; E234-Y237 WeakPolarHBondContact O-CB 3.4Å; E234-Y237 PolarHBondContact O-N 3.3Å; Y237-L239 VanDerWaalsContact C-N 3.28Å; Y237-L239 PolarHBondContact O-N 3.13Å; Y237-I240 PolarHBondContact O-N 3.39Å; Y237-L241 HydrophobicContact CE1-CB 4.26Å; Y237-L241 HydrophobicContact CE1-CD2 3.67Å; Y237-L241 VanDerWaalsContact O-CB 3.23Å; Y237-L241 WeakPolarHBondContact O-CB 3.12Å; Y237-L241 PolarHBondContact O-N 3.23Å; Y237-L241 WeakPolarHBondContact OH-CD2 3.48Å; Y237-P293 PolarHBondContact OH-O 3Å; Y237-F858 HydrophobicContact CD2-CD2 4.31Å; Y237-F858 AromaticContact CD2-CE1 3.89Å; Y237-F858 HydrophobicContact CD2-CE1 3.89Å; Y237-F858 AromaticContact CD2-CE2 3.56Å; Y237-F858 HydrophobicContact CD2-CE2 3.56Å; Y237-F858 AromaticContact CD2-CZ 3.28Å; Y237-F858 HydrophobicContact CD2-CZ 3.28Å; Y237-F858 HydrophobicContact CE2-CD2 4.26Å; Y237-F858 HydrophobicContact CE2-CE1 4.44Å; Y237-F858 AromaticContact CE2-CE2 3.33Å; Y237-F858 HydrophobicContact CE2-CE2 3.33Å; Y237-F858 AromaticContact CE2-CZ 3.42Å; Y237-F858 HydrophobicContact CE2-CZ 3.42Å; Y237-F858 VanDerWaalsContact CE2-CZ 3.42Å; Y237-F858 HydrophobicContact CG-CZ 4.3Å
238E68.5Low67.6Low49 Ų4944.7 Ų44.723%0.22923%0.231CC..Hα-helixtrans-57.4-44.4176.3-77.3-176.7172.700110.9E234 H242E234-E238 WeakPolarHBondContact O-CB 3.12Å; E234-E238 WeakPolarHBondContact O-CG 3.28Å; E234-E238 PolarHBondContact O-N 2.93Å; E238-H242 WeakPolarHBondContact O-CA 3.11Å; E238-H242 WeakPolarHBondContact O-CB 3.34Å; E238-H242 PolarHBondContact O-N 3.01Å
239L71.3Confident69.4Low22 Ų2242.1 Ų42.112%0.11522%0.22CC..Iπ-helixtrans-66-45-178.1-170.871.9000111.8K235 E236 Y237 S243 L925K235-L239 WeakPolarHBondContact O-CB 3.45Å; K235-L239 PolarHBondContact O-N 3.46Å; E236-L239 PolarHBondContact O-N 2.7Å; Y237-L239 VanDerWaalsContact C-N 3.28Å; Y237-L239 PolarHBondContact O-N 3.13Å; L239-S243 WeakPolarHBondContact O-CA 3.34Å; L239-S243 WeakPolarHBondContact O-CB 3.29Å; L239-S243 PolarHBondContact O-N 3.2Å; L239-S243 VanDerWaalsContact O-N 3.08Å; L239-S243 PolarHBondContact O-OG 2.86Å; L239-L925 HydrophobicContact CD1-CB 4.26Å; L239-L925 HydrophobicContact CD2-CB 3.78Å; L239-L925 HydrophobicContact CD2-CD1 3.27Å; L239-L925 HydrophobicContact CD2-CG 4.11Å; L239-L925 HydrophobicContact CG-CB 3.86Å; L239-L925 HydrophobicContact CG-CD1 3.77Å; L239-L925 HydrophobicContact CG-CG 4.36Å
240I75.1Confident71.1Confident47 Ų4741.5 Ų41.524%0.24122%0.216CC..Iπ-helixtrans-71.6-50.5-179.9-65.8167.8000110.5E236 Y237 C244 F245 F858 L862 L925E236-I240 WeakPolarHBondContact O-CB 3.23Å; E236-I240 VanDerWaalsContact O-CG1 3.28Å; E236-I240 WeakPolarHBondContact O-CG1 3.39Å; E236-I240 PolarHBondContact O-N 2.91Å; Y237-I240 PolarHBondContact O-N 3.39Å; I240-C244 WeakPolarHBondContact O-CA 3.42Å; I240-C244 WeakPolarHBondContact O-CB 3.46Å; I240-C244 PolarHBondContact O-N 2.99Å; I240-C244 VanDerWaalsContact O-N 3.12Å; I240-F245 HydrophobicContact CG2-CD2 4.44Å; I240-F245 HydrophobicContact CG2-CE2 4.49Å; I240-F245 PolarHBondContact O-N 3.16Å; I240-F245 VanDerWaalsContact O-N 3.16Å; I240-F858 HydrophobicContact CB-CE1 4.47Å; I240-F858 HydrophobicContact CD1-CE1 4.36Å; I240-F858 HydrophobicContact CG2-CE1 4.34Å; I240-L862 HydrophobicContact CG2-CD1 3.57Å; I240-L925 HydrophobicContact CG1-CD1 4.35Å
241L75.2Confident72.7Confident0 Ų043.2 Ų43.20%023%0.229CC..Iπ-helixtrans-68.3-55.3-176.2-166.381.8000110.8Y53 Y237 F245 E246 P293Y53-L241 HydrophobicContact CE2-CD2 4.04Å; Y53-L241 HydrophobicContact CE2-CG 4.14Å; Y53-L241 PolarHBondContact OH-O 3.07Å; Y237-L241 HydrophobicContact CE1-CB 4.26Å; Y237-L241 HydrophobicContact CE1-CD2 3.67Å; Y237-L241 VanDerWaalsContact O-CB 3.23Å; Y237-L241 WeakPolarHBondContact O-CB 3.12Å; Y237-L241 PolarHBondContact O-N 3.23Å; Y237-L241 WeakPolarHBondContact OH-CD2 3.48Å; L241-F245 HydrophobicContact CD1-CB 4.45Å; L241-F245 CarbonylContact O-C 3.51Å; L241-F245 WeakPolarHBondContact O-CA 3.44Å; L241-F245 VanDerWaalsContact O-CB 3.27Å; L241-F245 WeakPolarHBondContact O-CB 3.3Å; L241-F245 PolarHBondContact O-N 3.05Å; L241-F245 VanDerWaalsContact O-N 3.11Å; L241-E246 PolarHBondContact O-N 3.14Å; L241-P293 HydrophobicContact CD1-CB 3.88Å
242H74.2Confident74.3Confident27 Ų2745.4 Ų45.413%0.12524%0.241CC..Iπ-helixtrans-78.4-34.8-174.1-62.9-56.8000113.4C50 E238 E246 K247C50-H242 VanDerWaalsContact CB-CE1 3.5Å; C50-H242 WeakPolarHBondContact CB-CE1 3.27Å; E238-H242 WeakPolarHBondContact O-CA 3.11Å; E238-H242 WeakPolarHBondContact O-CB 3.34Å; E238-H242 PolarHBondContact O-N 3.01Å; H242-E246 IonicContact CE1-OE2 2.78Å; H242-E246 IonicContact CG-OE2 3.6Å; H242-E246 IonicContact ND1-OE2 2.95Å; H242-E246 PolarHBondContact ND1-OE2 3.14Å; H242-E246 WeakPolarHBondContact O-CB 3.36Å; H242-K247 VanDerWaalsContact O-CG 3.29Å; H242-K247 WeakPolarHBondContact O-CG 3.48Å; H242-K247 PolarHBondContact O-N 3.27Å
243S74.5Confident75.9Confident48 Ų4844.4 Ų44.434%0.33623%0.234SC..Iπ-helixtrans-86.3-36.7-178.8-49.40000113.3L239L239-S243 WeakPolarHBondContact O-CA 3.34Å; L239-S243 WeakPolarHBondContact O-CB 3.29Å; L239-S243 PolarHBondContact O-N 3.2Å; L239-S243 VanDerWaalsContact O-N 3.08Å; L239-S243 PolarHBondContact O-OG 2.86Å
244C77.7Confident77.1Confident39 Ų3943.8 Ų43.826%0.26424%0.236SC..Iπ-helixtrans-96.6-51.6-177.4-163.70000111.9I240 V248 L249I240-C244 WeakPolarHBondContact O-CA 3.42Å; I240-C244 WeakPolarHBondContact O-CB 3.46Å; I240-C244 PolarHBondContact O-N 2.99Å; I240-C244 VanDerWaalsContact O-N 3.12Å; C244-V248 WeakPolarHBondContact O-CB 3.36Å; C244-V248 PolarHBondContact O-N 2.85Å; C244-L249 PolarHBondContact O-N 2.79Å
245F80.7Confident78.4Confident16 Ų1646.5 Ų46.57%0.0725%0.247CC..Iπ-helixtrans-74.6-54.2-176.5-83.5-117000111.7I240 L241 L249 L250 L290 L862 T866I240-F245 HydrophobicContact CG2-CD2 4.44Å; I240-F245 HydrophobicContact CG2-CE2 4.49Å; I240-F245 PolarHBondContact O-N 3.16Å; I240-F245 VanDerWaalsContact O-N 3.16Å; L241-F245 HydrophobicContact CD1-CB 4.45Å; L241-F245 CarbonylContact O-C 3.51Å; L241-F245 WeakPolarHBondContact O-CA 3.44Å; L241-F245 VanDerWaalsContact O-CB 3.27Å; L241-F245 WeakPolarHBondContact O-CB 3.3Å; L241-F245 PolarHBondContact O-N 3.05Å; L241-F245 VanDerWaalsContact O-N 3.11Å; F245-L249 HydrophobicContact CD1-CD2 4.11Å; F245-L249 HydrophobicContact CE1-CD2 3.97Å; F245-L249 HydrophobicContact CG-CD2 4.44Å; F245-L249 HydrophobicContact CZ-CD2 4.17Å; F245-L249 PolarHBondContact O-N 3.43Å; F245-L250 WeakPolarHBondContact O-CB 3.5Å; F245-L250 PolarHBondContact O-N 2.97Å; F245-L290 HydrophobicContact CD1-CD2 4Å; F245-L290 HydrophobicContact CE1-CD2 3.82Å; F245-L862 HydrophobicContact CD1-CD2 4.24Å; F245-L862 HydrophobicContact CD2-CD2 4.47Å; F245-L862 HydrophobicContact CE1-CB 4.47Å; F245-L862 HydrophobicContact CE1-CD2 3.77Å; F245-L862 HydrophobicContact CE2-CB 4.3Å; F245-L862 HydrophobicContact CE2-CD1 4.1Å; F245-L862 HydrophobicContact CE2-CD2 4.04Å; F245-L862 HydrophobicContact CE2-CG 4.39Å; F245-L862 HydrophobicContact CZ-CB 3.76Å; F245-L862 HydrophobicContact CZ-CD1 4.34Å; F245-L862 HydrophobicContact CZ-CD2 3.68Å; F245-L862 HydrophobicContact CZ-CG 4.14Å; F245-T866 HydrophobicContact CE1-CG2 3.49Å; F245-T866 VanDerWaalsContact CE1-CG2 3.49Å; F245-T866 HydrophobicContact CZ-CG2 3.42Å; F245-T866 VanDerWaalsContact CZ-CG2 3.42Å
246E78.5Confident79.5Confident25 Ų2546.1 Ų46.112%0.11725%0.248CC..Iπ-helixtrans-69.4-50.7-174.9-167.3175.8169.900112.6H41 A52 Y53 L241 H242 P251H41-E246 IonicContact CD2-OE1 3.16Å; H41-E246 PolarHBondContact CD2-OE1 2.99Å; H41-E246 IonicContact CD2-OE2 3.85Å; H41-E246 IonicContact CE1-OE2 3.17Å; H41-E246 IonicContact NE2-OE1 3.42Å; H41-E246 PolarHBondContact NE2-OE1 3.29Å; H41-E246 VanDerWaalsContact NE2-OE1 3.17Å; H41-E246 IonicContact NE2-OE2 3.9Å; H41-E246 PolarHBondContact NE2-OE2 3.28Å; H41-E246 VanDerWaalsContact NE2-OE2 3.16Å; A52-E246 WeakPolarHBondContact CB-OE1 3.41Å; Y53-E246 HydrophobicContact CD2-CG 4.47Å; Y53-E246 HydrophobicContact CE2-CB 3.68Å; Y53-E246 HydrophobicContact CE2-CG 3.77Å; Y53-E246 VanDerWaalsContact CE2-OE2 3.26Å; Y53-E246 WeakPolarHBondContact CE2-OE2 3.48Å; Y53-E246 WeakPolarHBondContact OH-CA 3.34Å; Y53-E246 WeakPolarHBondContact OH-CB 3.06Å; Y53-E246 PolarHBondContact OH-N 3.21Å; Y53-E246 VanDerWaalsContact OH-N 3.13Å; L241-E246 PolarHBondContact O-N 3.14Å; H242-E246 IonicContact CE1-OE2 2.78Å; H242-E246 IonicContact CG-OE2 3.6Å; H242-E246 IonicContact ND1-OE2 2.95Å; H242-E246 PolarHBondContact ND1-OE2 3.14Å; H242-E246 WeakPolarHBondContact O-CB 3.36Å; E246-P251 WeakPolarHBondContact O-CD 2.99Å
247K79.5Confident80.4Confident128 Ų12844 Ų4456%0.55724%0.239SC*.Iπ-helixtrans-83.2-23.5-172.3-73.6176.4-175.9174.30114.7H41 H242 P251H41-K247 VanDerWaalsContact CE1-CE 3.41Å; H41-K247 WeakPolarHBondContact CE1-CE 3.39Å; H242-K247 VanDerWaalsContact O-CG 3.29Å; H242-K247 WeakPolarHBondContact O-CG 3.48Å; H242-K247 PolarHBondContact O-N 3.27Å; K247-P251 VanDerWaalsContact O-CG 3.29Å; K247-P251 WeakPolarHBondContact O-CG 3.25Å
248V83.1Confident81.1Confident84 Ų8448.7 Ų48.751%0.50926%0.26SS..Iπ-helixtrans-117.3-62.7-174.7-177.10000110.8C244 P251 T252C244-V248 WeakPolarHBondContact O-CB 3.36Å; C244-V248 PolarHBondContact O-N 2.85Å; V248-P251 WeakPolarHBondContact O-CD 3.48Å; V248-P251 WeakPolarHBondContact O-CG 3.29Å; V248-T252 VanDerWaalsContact O-CB 3.29Å; V248-T252 WeakPolarHBondContact O-CB 3.25Å; V248-T252 PolarHBondContact O-N 2.98Å; V248-T252 VanDerWaalsContact O-N 3.16Å; V248-T252 PolarHBondContact O-OG1 3.09Å
249L85.9Confident81.9Confident51 Ų5150.8 Ų50.827%0.26727%0.272SS..Iπ-helixtrans-69.6-47.6-168.6-171.161.8000112.7C244 F245 T252 V253 L290 T866C244-L249 PolarHBondContact O-N 2.79Å; F245-L249 HydrophobicContact CD1-CD2 4.11Å; F245-L249 HydrophobicContact CE1-CD2 3.97Å; F245-L249 HydrophobicContact CG-CD2 4.44Å; F245-L249 HydrophobicContact CZ-CD2 4.17Å; F245-L249 PolarHBondContact O-N 3.43Å; L249-T252 PolarHBondContact O-N 3.37Å; L249-V253 HydrophobicContact CD1-CG2 4.19Å; L249-V253 HydrophobicContact CG-CG2 4.39Å; L249-V253 VanDerWaalsContact O-CG2 3.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.41Å; L249-V253 PolarHBondContact O-N 2.62Å; L249-L290 HydrophobicContact CD2-CD1 4.39Å; L249-L290 HydrophobicContact CD2-CD2 3.66Å; L249-L290 HydrophobicContact CG-CD1 4.14Å; L249-L290 HydrophobicContact CG-CD2 4.32Å; L249-T866 HydrophobicContact CD2-CG2 3.49Å; L249-T866 VanDerWaalsContact CD2-CG2 3.49Å
250L85.5Confident82.3Confident13 Ų1350.3 Ų50.37%0.06827%0.27CS..Hα-helixtrans-58.3-54.3-179.1-16577.7000112L56 F245 T252 V253 A254 M287 L290 L291L56-L250 HydrophobicContact CD1-CD2 3.85Å; F245-L250 WeakPolarHBondContact O-CB 3.5Å; F245-L250 PolarHBondContact O-N 2.97Å; L250-T252 VanDerWaalsContact C-N 3.31Å; L250-T252 PolarHBondContact O-N 3.36Å; L250-V253 PolarHBondContact O-N 3.06Å; L250-A254 WeakPolarHBondContact O-CB 3.36Å; L250-A254 PolarHBondContact O-N 3.09Å; L250-M287 HydrophobicContact CB-CE 4.38Å; L250-M287 HydrophobicContact CD1-CE 3.22Å; L250-M287 HydrophobicContact CD1-SD 4.39Å; L250-M287 HydrophobicContact CG-CE 3.43Å; L250-M287 VanDerWaalsContact CG-CE 3.43Å; L250-M287 WeakPolarHBondContact O-CE 3.12Å; L250-L290 HydrophobicContact CD1-CB 3.73Å; L250-L290 HydrophobicContact CD1-CD1 4.14Å; L250-L291 HydrophobicContact CD1-CD2 3.99Å; L250-L291 HydrophobicContact CD1-CG 4.37Å; L250-L291 HydrophobicContact CD2-CD2 4.14Å
251P88Confident82.2Confident62 Ų6248.4 Ų48.440%0.40326%0.262SS..Hα-helixtrans-65.2-33.4177.622.1-32000112.5E246 K247 V248 A254 F255E246-P251 WeakPolarHBondContact O-CD 2.99Å; K247-P251 VanDerWaalsContact O-CG 3.29Å; K247-P251 WeakPolarHBondContact O-CG 3.25Å; V248-P251 WeakPolarHBondContact O-CD 3.48Å; V248-P251 WeakPolarHBondContact O-CG 3.29Å; P251-A254 PolarHBondContact O-N 3.24Å; P251-F255 WeakPolarHBondContact O-CB 3.43Å; P251-F255 PolarHBondContact O-N 3.2Å
252T88.6Confident82.3Confident76 Ų7650.7 Ų50.747%0.46628%0.275SS..Hα-helixtrans-65-46.2176.7-550000111.2V248 L249 L250 F255 V256V248-T252 VanDerWaalsContact O-CB 3.29Å; V248-T252 WeakPolarHBondContact O-CB 3.25Å; V248-T252 PolarHBondContact O-N 2.98Å; V248-T252 VanDerWaalsContact O-N 3.16Å; V248-T252 PolarHBondContact O-OG1 3.09Å; L249-T252 PolarHBondContact O-N 3.37Å; L250-T252 VanDerWaalsContact C-N 3.31Å; L250-T252 PolarHBondContact O-N 3.36Å; T252-F255 PolarHBondContact O-N 3.16Å; T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.49Å; T252-V256 PolarHBondContact O-N 2.91Å
253V87.9Confident82.4Confident10 Ų1053.1 Ų53.16%0.06130%0.295CS..Hα-helixtrans-64.4-45.4177.6172.30000110.4L249 L250 F255 V256 C257 M287 L290 L873L249-V253 HydrophobicContact CD1-CG2 4.19Å; L249-V253 HydrophobicContact CG-CG2 4.39Å; L249-V253 VanDerWaalsContact O-CG2 3.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.41Å; L249-V253 PolarHBondContact O-N 2.62Å; L250-V253 PolarHBondContact O-N 3.06Å; V253-F255 VanDerWaalsContact C-N 3.32Å; V253-F255 PolarHBondContact O-N 2.83Å; V253-V256 PolarHBondContact O-N 3Å; V253-C257 WeakPolarHBondContact O-CB 3.4Å; V253-C257 PolarHBondContact O-N 3.48Å; V253-C257 PolarHBondContact O-SG 3.48Å; V253-M287 HydrophobicContact CB-SD 3.9Å; V253-M287 HydrophobicContact CG1-SD 3.44Å; V253-M287 WeakPolarHBondContact CG1-SD 3.44Å; V253-L290 HydrophobicContact CB-CD1 4.14Å; V253-L290 HydrophobicContact CG1-CD1 4.29Å; V253-L290 HydrophobicContact CG2-CD1 3.95Å; V253-L873 HydrophobicContact CB-CD1 4.28Å; V253-L873 HydrophobicContact CG1-CD1 3.85Å; V253-L873 HydrophobicContact CG2-CD1 4.16Å
254A85.7Confident82.1Confident31 Ų3152.1 Ų52.126%0.25628%0.284SS..Hα-helixtrans-58.2-44.1176.200000112.1L250 P251 C257 F258 M287L250-A254 WeakPolarHBondContact O-CB 3.36Å; L250-A254 PolarHBondContact O-N 3.09Å; P251-A254 PolarHBondContact O-N 3.24Å; A254-C257 PolarHBondContact O-N 3.03Å; A254-F258 WeakPolarHBondContact O-CB 3.46Å; A254-F258 PolarHBondContact O-N 3.38Å; A254-M287 HydrophobicContact CB-CE 3.81Å; A254-M287 HydrophobicContact CB-SD 4.17Å
255F88.9Confident81.8Confident130 Ų13056.3 Ų56.357%0.5730%0.295SS*.Hα-helixtrans-64.8-44.3178.9-178.4-106.4000112.2P251 T252 V253 F258 L259P251-F255 WeakPolarHBondContact O-CB 3.43Å; P251-F255 PolarHBondContact O-N 3.2Å; T252-F255 PolarHBondContact O-N 3.16Å; V253-F255 VanDerWaalsContact C-N 3.32Å; V253-F255 PolarHBondContact O-N 2.83Å; F255-F258 PolarHBondContact O-N 3.13Å; F255-L259 HydrophobicContact CD1-CD1 3.75Å; F255-L259 HydrophobicContact CD2-CD1 4.19Å; F255-L259 HydrophobicContact CE1-CD1 3.17Å; F255-L259 HydrophobicContact CE2-CD1 3.67Å; F255-L259 HydrophobicContact CG-CD1 4.23Å; F255-L259 HydrophobicContact CZ-CD1 3.14Å; F255-L259 PolarHBondContact O-N 3.26Å
256V87.1Confident81.4Confident45 Ų4562.6 Ų62.627%0.27332%0.323SS..Hα-helixtrans-66.5-40.2177.2176.80000111.2T252 V253 F258 L259 S260 L873 L877T252-V256 VanDerWaalsContact O-CG2 3.3Å; T252-V256 WeakPolarHBondContact O-CG2 3.49Å; T252-V256 PolarHBondContact O-N 2.91Å; V253-V256 PolarHBondContact O-N 3Å; V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 2.78Å; V256-L259 PolarHBondContact O-N 3.25Å; V256-S260 VanDerWaalsContact O-CB 3.32Å; V256-S260 WeakPolarHBondContact O-CB 3.49Å; V256-S260 PolarHBondContact O-N 3.49Å; V256-L873 HydrophobicContact CB-CD1 4.19Å; V256-L873 HydrophobicContact CG1-CD1 4.11Å; V256-L873 HydrophobicContact CG1-CD2 3.79Å; V256-L873 HydrophobicContact CG1-CG 4.09Å; V256-L877 HydrophobicContact CG1-CD2 4.15Å
257C83.9Confident81Confident3 Ų364.3 Ų64.32%0.0234%0.342CS..Hα-helixtrans-62.4-39.9174.1-72.50000112.2V253 A254 S261 L283 L876V253-C257 WeakPolarHBondContact O-CB 3.4Å; V253-C257 PolarHBondContact O-N 3.48Å; V253-C257 PolarHBondContact O-SG 3.48Å; A254-C257 PolarHBondContact O-N 3.03Å; C257-S261 WeakPolarHBondContact O-CB 3.41Å; C257-S261 PolarHBondContact O-N 3.44Å; C257-S261 VanDerWaalsContact O-N 3.16Å; C257-S261 PolarHBondContact O-OG 3.05Å; C257-L283 HydrophobicContact CB-CD1 3.45Å; C257-L283 VanDerWaalsContact CB-CD1 3.45Å; C257-L876 HydrophobicContact CB-CD2 4.02Å
258F84Confident80.1Confident117 Ų11762.2 Ų62.251%0.51333%0.331SS..Hα-helixtrans-63.8-50.6174179.4-100.1000111.4A254 F255 V256 S260 S261 V262 F279A254-F258 WeakPolarHBondContact O-CB 3.46Å; A254-F258 PolarHBondContact O-N 3.38Å; F255-F258 PolarHBondContact O-N 3.13Å; V256-F258 VanDerWaalsContact C-N 3.33Å; V256-F258 PolarHBondContact O-N 2.78Å; F258-S260 PolarHBondContact O-N 3.41Å; F258-S261 WeakPolarHBondContact O-CB 3.39Å; F258-S261 PolarHBondContact O-N 3.33Å; F258-S261 VanDerWaalsContact O-N 3.1Å; F258-V262 HydrophobicContact CD1-CG2 4.15Å; F258-V262 HydrophobicContact CD2-CG2 4.45Å; F258-V262 HydrophobicContact CE1-CG2 3.75Å; F258-V262 HydrophobicContact CE2-CG2 4.07Å; F258-V262 HydrophobicContact CG-CG2 4.49Å; F258-V262 HydrophobicContact CZ-CG2 3.7Å; F258-V262 WeakPolarHBondContact O-CG2 3.5Å; F258-V262 PolarHBondContact O-N 3.45Å; F258-F279 HydrophobicContact CD2-CZ 4.24Å
259L85.1Confident78.6Confident92 Ų9267.5 Ų67.548%0.48235%0.35SS..Hα-helixtrans-60.7-45179.7-114.4123.2000112.8F255 V256 S261 V262 S263F255-L259 HydrophobicContact CD1-CD1 3.75Å; F255-L259 HydrophobicContact CD2-CD1 4.19Å; F255-L259 HydrophobicContact CE1-CD1 3.17Å; F255-L259 HydrophobicContact CE2-CD1 3.67Å; F255-L259 HydrophobicContact CG-CD1 4.23Å; F255-L259 HydrophobicContact CZ-CD1 3.14Å; F255-L259 PolarHBondContact O-N 3.26Å; V256-L259 PolarHBondContact O-N 3.25Å; L259-S261 PolarHBondContact O-N 2.89Å; L259-V262 PolarHBondContact O-N 3.41Å; L259-S263 WeakPolarHBondContact O-CB 3.26Å; L259-S263 PolarHBondContact O-N 3.48Å
260S78.9Confident77Confident12 Ų1275.9 Ų75.98%0.08438%0.378CS..Hα-helixtrans-60.4-35.4177.1-174.30000111.1V256 F258 R264 L876V256-S260 VanDerWaalsContact O-CB 3.32Å; V256-S260 WeakPolarHBondContact O-CB 3.49Å; V256-S260 PolarHBondContact O-N 3.49Å; F258-S260 PolarHBondContact O-N 3.41Å; S260-R264 VanDerWaalsContact O-CG 3.27Å; S260-R264 WeakPolarHBondContact O-CG 3.46Å; S260-R264 PolarHBondContact O-N 3Å; S260-R264 VanDerWaalsContact O-N 3.08Å; S260-L876 PolarHBondContact OG-O 3.28Å
261S72.5Confident75.5Confident8 Ų878.4 Ų78.46%0.05639%0.391CS..Hα-helixtrans-75.6-43.8179.6-57.30000111.8C257 F258 L259 S263 R264 Y265 W275 F279C257-S261 WeakPolarHBondContact O-CB 3.41Å; C257-S261 PolarHBondContact O-N 3.44Å; C257-S261 VanDerWaalsContact O-N 3.16Å; C257-S261 PolarHBondContact O-OG 3.05Å; F258-S261 WeakPolarHBondContact O-CB 3.39Å; F258-S261 PolarHBondContact O-N 3.33Å; F258-S261 VanDerWaalsContact O-N 3.1Å; L259-S261 PolarHBondContact O-N 2.89Å; S261-S263 VanDerWaalsContact C-N 3.3Å; S261-S263 PolarHBondContact O-N 2.94Å; S261-R264 WeakPolarHBondContact O-CB 3.35Å; S261-R264 PolarHBondContact O-N 3.37Å; S261-R264 VanDerWaalsContact O-N 3.14Å; S261-Y265 PolarHBondContact O-N 3.39Å; S261-W275 WeakPolarHBondContact O-CZ2 3.44Å; S261-F279 WeakPolarHBondContact OG-CD2 3.32Å; S261-F279 WeakPolarHBondContact OG-CE2 3.2Å
262V77.6Confident74Confident47 Ų4781.5 Ų81.529%0.28540%0.404SS..Hα-helixtrans-58.9-43.6173.1173.40000110.9F258 L259 R264 Y265 F266F258-V262 HydrophobicContact CD1-CG2 4.15Å; F258-V262 HydrophobicContact CD2-CG2 4.45Å; F258-V262 HydrophobicContact CE1-CG2 3.75Å; F258-V262 HydrophobicContact CE2-CG2 4.07Å; F258-V262 HydrophobicContact CG-CG2 4.49Å; F258-V262 HydrophobicContact CZ-CG2 3.7Å; F258-V262 WeakPolarHBondContact O-CG2 3.5Å; F258-V262 PolarHBondContact O-N 3.45Å; L259-V262 PolarHBondContact O-N 3.41Å; V262-R264 VanDerWaalsContact C-N 3.34Å; V262-R264 PolarHBondContact O-N 2.73Å; V262-Y265 WeakPolarHBondContact O-CB 3.26Å; V262-Y265 PolarHBondContact O-N 3.42Å; V262-Y265 VanDerWaalsContact O-N 3.17Å; V262-F266 HydrophobicContact CG1-CD2 3.71Å; V262-F266 HydrophobicContact CG1-CE2 3.54Å; V262-F266 VanDerWaalsContact O-CD2 3.25Å; V262-F266 WeakPolarHBondContact O-CD2 3.32Å; V262-F266 PolarHBondContact O-N 3.36Å; V262-F266 VanDerWaalsContact O-N 3.09Å
263S76.1Confident72.6Confident78 Ų7885.5 Ų85.555%0.54542%0.422SS..Hα-helixtrans-57.5-45.7174.2177.10000111.9L259 S261 Y265 F266 A267L259-S263 WeakPolarHBondContact O-CB 3.26Å; L259-S263 PolarHBondContact O-N 3.48Å; S261-S263 VanDerWaalsContact C-N 3.3Å; S261-S263 PolarHBondContact O-N 2.94Å; S263-Y265 PolarHBondContact O-N 3.06Å; S263-F266 PolarHBondContact O-N 3.24Å; S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.42Å; S263-A267 PolarHBondContact O-N 3.46Å
264R70Confident71.3Confident27 Ų2792 Ų9210%0.10245%0.446CS..Hα-helixtrans-62.3-40.5175-73.8173176.5-157.2-1.1112.2S260 S261 V262 F266 A267 Y268 A875 L876 Y983S260-R264 VanDerWaalsContact O-CG 3.27Å; S260-R264 WeakPolarHBondContact O-CG 3.46Å; S260-R264 PolarHBondContact O-N 3Å; S260-R264 VanDerWaalsContact O-N 3.08Å; S261-R264 WeakPolarHBondContact O-CB 3.35Å; S261-R264 PolarHBondContact O-N 3.37Å; S261-R264 VanDerWaalsContact O-N 3.14Å; V262-R264 VanDerWaalsContact C-N 3.34Å; V262-R264 PolarHBondContact O-N 2.73Å; R264-F266 PolarHBondContact O-N 3.36Å; R264-A267 PolarHBondContact O-N 2.98Å; R264-Y268 HydrophobicContact CB-CD2 4.49Å; R264-Y268 WeakPolarHBondContact O-CD2 3.49Å; R264-Y268 PolarHBondContact O-N 3.23Å; R264-A875 PolarHBondContact NH2-O 3.34Å; R264-L876 VanDerWaalsContact CZ-O 3.24Å; R264-L876 PolarHBondContact NE-O 3.46Å; R264-L876 VanDerWaalsContact NE-O 3.16Å; R264-L876 VanDerWaalsContact NH2-CA 3.28Å; R264-L876 PolarHBondContact NH2-O 3.29Å; R264-Y983 VanDerWaalsContact NH1-CZ 3.29Å; R264-Y983 PolarHBondContact NH1-OH 2.89Å; R264-Y983 VanDerWaalsContact NH1-OH 3.07Å
265Y69.6Low70.4Confident127 Ų12793.3 Ų93.350%0.49845%0.445SS..Hα-helixtrans-59.2-47.6177.5178.6-99.5000111.7S261 V262 S263 Y268 W275S261-Y265 PolarHBondContact O-N 3.39Å; V262-Y265 WeakPolarHBondContact O-CB 3.26Å; V262-Y265 PolarHBondContact O-N 3.42Å; V262-Y265 VanDerWaalsContact O-N 3.17Å; S263-Y265 PolarHBondContact O-N 3.06Å; Y265-Y268 PolarHBondContact O-N 2.92Å; Y265-W275 HydrophobicContact CD2-CD2 4.39Å; Y265-W275 HydrophobicContact CD2-CE3 4.08Å; Y265-W275 HydrophobicContact CD2-CH2 4.13Å; Y265-W275 HydrophobicContact CD2-CZ2 4.44Å; Y265-W275 AromaticContact CD2-CZ3 3.94Å; Y265-W275 HydrophobicContact CD2-CZ3 3.94Å; Y265-W275 HydrophobicContact CG-CH2 4.27Å; Y265-W275 HydrophobicContact CG-CZ3 4.48Å
266F73.9Confident69.3Low149 Ų14991.9 Ų91.965%0.65444%0.442SS*.Hα-helixtrans-71.8-32.6179.4-75-67.7000113.4V262 S263 R264 Y268V262-F266 HydrophobicContact CG1-CD2 3.71Å; V262-F266 HydrophobicContact CG1-CE2 3.54Å; V262-F266 VanDerWaalsContact O-CD2 3.25Å; V262-F266 WeakPolarHBondContact O-CD2 3.32Å; V262-F266 PolarHBondContact O-N 3.36Å; V262-F266 VanDerWaalsContact O-N 3.09Å; S263-F266 PolarHBondContact O-N 3.24Å; R264-F266 PolarHBondContact O-N 3.36Å; F266-Y268 VanDerWaalsContact C-N 3.29Å; F266-Y268 PolarHBondContact O-N 2.95Å
267A68.5Low68.3Low61 Ų6191 Ų9150%0.50444%0.442SS..Hα-helixtrans-68.8-26.2177.800000113S263 R264S263-A267 VanDerWaalsContact O-CB 3.3Å; S263-A267 WeakPolarHBondContact O-CB 3.42Å; S263-A267 PolarHBondContact O-N 3.46Å; R264-A267 PolarHBondContact O-N 2.98Å
268Y61.1Low67.7Low84 Ų8492.6 Ų92.633%0.32945%0.451SS..  trans-127.286.7-174-53.3-65.1000111.1R264 Y265 F266 R270 C980R264-Y268 HydrophobicContact CB-CD2 4.49Å; R264-Y268 WeakPolarHBondContact O-CD2 3.49Å; R264-Y268 PolarHBondContact O-N 3.23Å; Y265-Y268 PolarHBondContact O-N 2.92Å; F266-Y268 VanDerWaalsContact C-N 3.29Å; F266-Y268 PolarHBondContact O-N 2.95Å; Y268-R270 PolarHBondContact O-N 3.39Å; Y268-C980 HydrophobicContact CE1-CB 3.58Å; Y268-C980 WeakPolarHBondContact OH-CB 3.42Å; Y268-C980 PolarHBondContact OH-SG 3.19Å
269Q51.9Low67.2Low194 Ų19488.5 Ų88.591%0.90743%0.433SS*.SBendtrans-62.28.8-175.3-77.3-178.1-23.300117
270R52.4Low66.8Low227 Ų22786.4 Ų86.486%0.85742%0.424SS*.  trans-139.286.3-178.4-83.4-174.3175.6176-1.1111Y268Y268-R270 PolarHBondContact O-N 3.39Å
271L53.7Low66.7Low66 Ų6685.9 Ų85.935%0.34642%0.42SS..  trans-144127.6172.6-87.8133.7000110.9W275 L984L271-W275 HydrophobicContact CB-CB 3.95Å; L271-W275 HydrophobicContact CB-CG 4.29Å; L271-W275 HydrophobicContact CD2-CB 3.98Å; L271-W275 HydrophobicContact CD2-CG 4.25Å; L271-W275 HydrophobicContact CG-CB 4.5Å; L271-L984 HydrophobicContact CD2-CD2 3.88Å; L271-L984 HydrophobicContact CG-CD2 4.47Å
272D57.2Low67Low128 Ų12886.6 Ų86.668%0.68442%0.423SS*.  trans-68.5173.7177.4-65.3-39.6000112.7Y274 W275D272-Y274 HydrophobicContact CB-CD2 3.96Å; D272-Y274 PolarHBondContact O-N 3.34Å; D272-W275 WeakPolarHBondContact O-CB 3.25Å; D272-W275 PolarHBondContact O-N 3.38Å
273L59Low67.2Low160 Ų16086.6 Ų86.684%0.83842%0.421SS*.THydrogen-bonded Turntrans-48.4-25.4177.2-129.285.8000113.8W275 L276L273-W275 PolarHBondContact O-N 3.08Å; L273-L276 PolarHBondContact O-N 3.02Å; L273-L276 VanDerWaalsContact O-N 3.14Å
274Y60.7Low67.4Low146 Ų14683.3 Ų83.357%0.57340%0.4SS*.Hα-helixtrans-55.4-26.7173.6-69.7-68.2000114.7H71 D272 L276 G277 N278H71-Y274 AromaticContact CE1-CD1 3.88Å; H71-Y274 AromaticContact CE1-CE1 3.41Å; H71-Y274 VanDerWaalsContact CE1-CE1 3.41Å; H71-Y274 WeakPolarHBondContact CE1-CE1 3.22Å; H71-Y274 AromaticContact NE2-CD1 3.65Å; H71-Y274 AromaticContact NE2-CE1 3.58Å; D272-Y274 HydrophobicContact CB-CD2 3.96Å; D272-Y274 PolarHBondContact O-N 3.34Å; Y274-L276 VanDerWaalsContact C-N 3.34Å; Y274-G277 PolarHBondContact O-N 3.15Å; Y274-N278 PolarHBondContact O-N 3.31Å; Y274-N278 VanDerWaalsContact O-N 3.12Å; Y274-N278 PolarHBondContact O-ND2 3.1Å
275W66.5Low68.1Low58 Ų5882.1 Ų82.122%0.2240%0.396CS..Hα-helixtrans-65.3-38.2176.5178.181.4000112.3S261 Y265 L271 D272 L273 N278 F279S261-W275 WeakPolarHBondContact O-CZ2 3.44Å; Y265-W275 HydrophobicContact CD2-CD2 4.39Å; Y265-W275 HydrophobicContact CD2-CE3 4.08Å; Y265-W275 HydrophobicContact CD2-CH2 4.13Å; Y265-W275 HydrophobicContact CD2-CZ2 4.44Å; Y265-W275 AromaticContact CD2-CZ3 3.94Å; Y265-W275 HydrophobicContact CD2-CZ3 3.94Å; Y265-W275 HydrophobicContact CG-CH2 4.27Å; Y265-W275 HydrophobicContact CG-CZ3 4.48Å; L271-W275 HydrophobicContact CB-CB 3.95Å; L271-W275 HydrophobicContact CB-CG 4.29Å; L271-W275 HydrophobicContact CD2-CB 3.98Å; L271-W275 HydrophobicContact CD2-CG 4.25Å; L271-W275 HydrophobicContact CG-CB 4.5Å; D272-W275 WeakPolarHBondContact O-CB 3.25Å; D272-W275 PolarHBondContact O-N 3.38Å; L273-W275 PolarHBondContact O-N 3.08Å; W275-N278 PolarHBondContact O-N 2.71Å; W275-F279 WeakPolarHBondContact O-CB 3.33Å; W275-F279 PolarHBondContact O-N 3.01Å
276L65Low68.8Low100 Ų10076.3 Ų76.352%0.52437%0.374SS..Hα-helixtrans-67.3-38.6179.6-16968.6000111.3L273 Y274 F279 T280L273-L276 PolarHBondContact O-N 3.02Å; L273-L276 VanDerWaalsContact O-N 3.14Å; Y274-L276 VanDerWaalsContact C-N 3.34Å; L276-F279 HydrophobicContact CD1-CD1 4.33Å; L276-F279 PolarHBondContact O-N 3.41Å; L276-T280 WeakPolarHBondContact O-CG2 3.06Å; L276-T280 PolarHBondContact O-N 2.95Å; L276-T280 VanDerWaalsContact O-N 3.08Å; L276-T280 PolarHBondContact O-OG1 3.33Å
277G67.7Low69.4Low26 Ų2670 Ų7027%0.26835%0.347SS..Hα-helixtrans-61.9-50.4173.900000112.4Y274 F279 T280 V281Y274-G277 PolarHBondContact O-N 3.15Å; G277-F279 VanDerWaalsContact C-N 3.34Å; G277-F279 PolarHBondContact O-N 3.31Å; G277-T280 PolarHBondContact O-N 3.11Å; G277-T280 PolarHBondContact O-OG1 2.91Å; G277-V281 VanDerWaalsContact O-CG2 3.27Å; G277-V281 WeakPolarHBondContact O-CG2 3.13Å; G277-V281 PolarHBondContact O-N 3.26Å
278N69.9Low70.2Confident37 Ų3767.2 Ų67.220%0.19832%0.323CS..Hα-helixtrans-64.6-36.4177.6-74.4-41.8000112.8Y274 W275 V281 D282 N987Y274-N278 PolarHBondContact O-N 3.31Å; Y274-N278 VanDerWaalsContact O-N 3.12Å; Y274-N278 PolarHBondContact O-ND2 3.1Å; W275-N278 PolarHBondContact O-N 2.71Å; N278-V281 PolarHBondContact O-N 3.48Å; N278-D282 WeakPolarHBondContact O-CB 3.34Å; N278-D282 VanDerWaalsContact O-CG 3.31Å; N278-D282 PolarHBondContact O-N 3.25Å; N278-N987 PolarHBondContact ND2-ND2 2.83Å
279F73.9Confident71.4Confident32 Ų3263.2 Ų63.214%0.1431%0.307CS..Hα-helixtrans-59.2-50.8174.5163.2-112000112.3F258 S261 W275 L276 G277 V281 D282 L283F258-F279 HydrophobicContact CD2-CZ 4.24Å; S261-F279 WeakPolarHBondContact OG-CD2 3.32Å; S261-F279 WeakPolarHBondContact OG-CE2 3.2Å; W275-F279 WeakPolarHBondContact O-CB 3.33Å; W275-F279 PolarHBondContact O-N 3.01Å; L276-F279 HydrophobicContact CD1-CD1 4.33Å; L276-F279 PolarHBondContact O-N 3.41Å; G277-F279 VanDerWaalsContact C-N 3.34Å; G277-F279 PolarHBondContact O-N 3.31Å; F279-V281 PolarHBondContact O-N 3.25Å; F279-D282 PolarHBondContact O-N 3.37Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 WeakPolarHBondContact O-CB 3.19Å; F279-L283 PolarHBondContact O-N 3.45Å
280T76.2Confident73Confident47 Ų4754 Ų5429%0.28827%0.265SS..Hα-helixtrans-62.4-36.1-178.253.20000111.7L276 G277 G284L276-T280 WeakPolarHBondContact O-CG2 3.06Å; L276-T280 PolarHBondContact O-N 2.95Å; L276-T280 VanDerWaalsContact O-N 3.08Å; L276-T280 PolarHBondContact O-OG1 3.33Å; G277-T280 PolarHBondContact O-N 3.11Å; G277-T280 PolarHBondContact O-OG1 2.91Å; T280-G284 PolarHBondContact O-N 3.38Å
281V78Confident74.3Confident1 Ų143.4 Ų43.41%0.00623%0.225CC..Hα-helixtrans-70-45.6175.9175.40000111.6I63 N67 G277 N278 F279 L283 G284 I285I63-V281 HydrophobicContact CG2-CG2 3.92Å; N67-V281 HydrophobicContact CB-CG2 3.49Å; N67-V281 VanDerWaalsContact CB-CG2 3.49Å; N67-V281 WeakPolarHBondContact ND2-CG2 3.12Å; G277-V281 VanDerWaalsContact O-CG2 3.27Å; G277-V281 WeakPolarHBondContact O-CG2 3.13Å; G277-V281 PolarHBondContact O-N 3.26Å; N278-V281 PolarHBondContact O-N 3.48Å; F279-V281 PolarHBondContact O-N 3.25Å; V281-L283 VanDerWaalsContact C-N 3.32Å; V281-L283 PolarHBondContact O-N 3.34Å; V281-G284 PolarHBondContact O-N 3.03Å; V281-G284 VanDerWaalsContact O-N 3.14Å; V281-I285 HydrophobicContact CG1-CD1 3.69Å; V281-I285 HydrophobicContact CG1-CG1 4.3Å; V281-I285 VanDerWaalsContact O-CG1 3.31Å; V281-I285 WeakPolarHBondContact O-CG1 3.33Å; V281-I285 PolarHBondContact O-N 3.13Å
282D77.9Confident75.3Confident24 Ų2440.3 Ų40.313%0.12821%0.208CC..Hα-helixtrans-62.3-40.2178-75.7-24000111.3N278 F279 A286 L876 Y983N278-D282 WeakPolarHBondContact O-CB 3.34Å; N278-D282 VanDerWaalsContact O-CG 3.31Å; N278-D282 PolarHBondContact O-N 3.25Å; F279-D282 PolarHBondContact O-N 3.37Å; D282-A286 VanDerWaalsContact O-CB 3.28Å; D282-A286 WeakPolarHBondContact O-CB 3.32Å; D282-A286 PolarHBondContact O-N 2.86Å; D282-L876 HydrophobicContact CB-CD1 4.15Å; D282-Y983 PolarHBondContact OD2-OH 3.42Å
283L81.5Confident75.8Confident46 Ų4634.2 Ų34.224%0.24118%0.176CC..Hα-helixtrans-63-47.6171.4-179.167000110.9C257 F279 V281 I285 A286 M287C257-L283 HydrophobicContact CB-CD1 3.45Å; C257-L283 VanDerWaalsContact CB-CD1 3.45Å; F279-L283 HydrophobicContact CZ-CD2 4.21Å; F279-L283 WeakPolarHBondContact O-CB 3.19Å; F279-L283 PolarHBondContact O-N 3.45Å; V281-L283 VanDerWaalsContact C-N 3.32Å; V281-L283 PolarHBondContact O-N 3.34Å; L283-I285 PolarHBondContact O-N 2.86Å; L283-A286 PolarHBondContact O-N 3.13Å; L283-M287 HydrophobicContact CD1-CG 3.98Å; L283-M287 HydrophobicContact CG-CG 4.33Å; L283-M287 WeakPolarHBondContact O-CB 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.34Å; L283-M287 PolarHBondContact O-N 3.31Å
284G81.5Confident76.1Confident9 Ų926.7 Ų26.79%0.09314%0.136CC..Hα-helixtrans-57.3-46.3178.300000112.7T280 V281 M287 L288T280-G284 PolarHBondContact O-N 3.38Å; V281-G284 PolarHBondContact O-N 3.03Å; V281-G284 VanDerWaalsContact O-N 3.14Å; G284-M287 PolarHBondContact O-N 2.88Å; G284-L288 VanDerWaalsContact O-CB 3.29Å; G284-L288 WeakPolarHBondContact O-CB 3.24Å; G284-L288 PolarHBondContact O-N 2.7Å
285I83.2Confident76.2Confident3 Ų319.9 Ų19.92%0.01511%0.11CC..Hα-helixtrans-68.9-40.4179.4-64.7169.5000111.3V281 L283 M287 P289 A886 V889V281-I285 HydrophobicContact CG1-CD1 3.69Å; V281-I285 HydrophobicContact CG1-CG1 4.3Å; V281-I285 VanDerWaalsContact O-CG1 3.31Å; V281-I285 WeakPolarHBondContact O-CG1 3.33Å; V281-I285 PolarHBondContact O-N 3.13Å; L283-I285 PolarHBondContact O-N 2.86Å; I285-M287 VanDerWaalsContact C-N 3.28Å; I285-M287 PolarHBondContact O-N 3.18Å; I285-P289 WeakPolarHBondContact O-CD 3.48Å; I285-A886 HydrophobicContact CD1-CB 3.96Å; I285-A886 HydrophobicContact CG1-CB 4.01Å; I285-V889 HydrophobicContact CG2-CG2 3.96Å
286A85.1Confident75.7Confident4 Ų417.1 Ų17.13%0.03310%0.1CC..Hα-helixtrans-66.3-31.3177.200000112.3D282 L283 T869 H872D282-A286 VanDerWaalsContact O-CB 3.28Å; D282-A286 WeakPolarHBondContact O-CB 3.32Å; D282-A286 PolarHBondContact O-N 2.86Å; L283-A286 PolarHBondContact O-N 3.13Å; A286-T869 WeakPolarHBondContact O-CG2 3.42Å; A286-H872 HydrophobicContact CB-CB 4.23Å
287M85.3Confident75.3Confident18 Ų1814.1 Ų14.19%0.0898%0.083CC..Hα-helixtrans-87.8-28.4-178.5-65.4-63.4-74.900113.3L250 V253 A254 L283 G284 I285 P289 L290 L291L250-M287 HydrophobicContact CB-CE 4.38Å; L250-M287 HydrophobicContact CD1-CE 3.22Å; L250-M287 HydrophobicContact CD1-SD 4.39Å; L250-M287 HydrophobicContact CG-CE 3.43Å; L250-M287 VanDerWaalsContact CG-CE 3.43Å; L250-M287 WeakPolarHBondContact O-CE 3.12Å; V253-M287 HydrophobicContact CB-SD 3.9Å; V253-M287 HydrophobicContact CG1-SD 3.44Å; V253-M287 WeakPolarHBondContact CG1-SD 3.44Å; A254-M287 HydrophobicContact CB-CE 3.81Å; A254-M287 HydrophobicContact CB-SD 4.17Å; L283-M287 HydrophobicContact CD1-CG 3.98Å; L283-M287 HydrophobicContact CG-CG 4.33Å; L283-M287 WeakPolarHBondContact O-CB 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.34Å; L283-M287 PolarHBondContact O-N 3.31Å; G284-M287 PolarHBondContact O-N 2.88Å; I285-M287 VanDerWaalsContact C-N 3.28Å; I285-M287 PolarHBondContact O-N 3.18Å; M287-P289 VanDerWaalsContact C-CD 3.49Å; M287-L290 PolarHBondContact O-N 3.3Å; M287-L291 PolarHBondContact O-N 3.1Å
288L86.5Confident74.7Confident2 Ų214.1 Ų14.11%0.018%0.076CC..Hα-helixtrans-52-44.2-175-175.566.1000114.3L82 G284 L290 L291 F292 V889 L890 L893L82-L288 HydrophobicContact CD1-CD1 3.9Å; L82-L288 HydrophobicContact CD2-CD1 3.48Å; L82-L288 VanDerWaalsContact CD2-CD1 3.48Å; L82-L288 HydrophobicContact CD2-CD2 4.45Å; L82-L288 HydrophobicContact CG-CD1 4.35Å; G284-L288 VanDerWaalsContact O-CB 3.29Å; G284-L288 WeakPolarHBondContact O-CB 3.24Å; G284-L288 PolarHBondContact O-N 2.7Å; L288-L290 PolarHBondContact O-N 3.18Å; L288-L291 PolarHBondContact O-N 3.12Å; L288-L291 VanDerWaalsContact O-N 3.13Å; L288-F292 PolarHBondContact O-N 3.36Å; L288-F292 VanDerWaalsContact O-N 3.09Å; L288-V889 HydrophobicContact CD2-CG1 4.39Å; L288-L890 HydrophobicContact CD2-CD1 4.47Å; L288-L890 HydrophobicContact CD2-CD2 4.15Å; L288-L890 HydrophobicContact CD2-CG 3.94Å; L288-L893 HydrophobicContact CG-CD1 4.38Å
289P86.2Confident74Confident0 Ų013 Ų130%07%0.069CC..Hα-helixtrans-63.6-25.1178.4-21.732.8000114.5I285 M287 P293 S865 I868 T869 V889 L893I285-P289 WeakPolarHBondContact O-CD 3.48Å; M287-P289 VanDerWaalsContact C-CD 3.49Å; P289-P293 WeakPolarHBondContact O-CD 3.42Å; P289-S865 VanDerWaalsContact CB-O 3.31Å; P289-S865 WeakPolarHBondContact CB-O 3.19Å; P289-S865 WeakPolarHBondContact O-CB 3.13Å; P289-S865 PolarHBondContact O-OG 3.2Å; P289-I868 HydrophobicContact CB-CB 4.23Å; P289-I868 HydrophobicContact CB-CG2 4.37Å; P289-I868 HydrophobicContact CG-CB 4.04Å; P289-I868 HydrophobicContact CG-CG2 3.65Å; P289-T869 HydrophobicContact CB-CG2 3.66Å; P289-T869 HydrophobicContact CG-CG2 3.79Å; P289-V889 HydrophobicContact CG-CG1 3.92Å; P289-L893 HydrophobicContact CB-CD1 4.1Å; P289-L893 HydrophobicContact CB-CD2 4.11Å; P289-L893 HydrophobicContact CG-CD1 4.15Å
290L85.1Confident72.9Confident1 Ų112.6 Ų12.61%0.0057%0.069CC..Hα-helixtrans-83.1-21.6177-60.4176.8000112.9F245 L249 L250 V253 M287 L288 P293 T866 T869F245-L290 HydrophobicContact CD1-CD2 4Å; F245-L290 HydrophobicContact CE1-CD2 3.82Å; L249-L290 HydrophobicContact CD2-CD1 4.39Å; L249-L290 HydrophobicContact CD2-CD2 3.66Å; L249-L290 HydrophobicContact CG-CD1 4.14Å; L249-L290 HydrophobicContact CG-CD2 4.32Å; L250-L290 HydrophobicContact CD1-CB 3.73Å; L250-L290 HydrophobicContact CD1-CD1 4.14Å; V253-L290 HydrophobicContact CB-CD1 4.14Å; V253-L290 HydrophobicContact CG1-CD1 4.29Å; V253-L290 HydrophobicContact CG2-CD1 3.95Å; M287-L290 PolarHBondContact O-N 3.3Å; L288-L290 PolarHBondContact O-N 3.18Å; L290-P293 WeakPolarHBondContact O-CD 3.48Å; L290-T866 HydrophobicContact CD2-CG2 3.75Å; L290-T869 HydrophobicContact CD1-CG2 4.13Å; L290-T869 HydrophobicContact CD2-CG2 3.9Å; L290-T869 HydrophobicContact CG-CG2 3.58Å
291L79.2Confident71.5Confident3 Ų312.4 Ų12.42%0.0168%0.076CC..Hα-helixtrans-84-33.1176.3-62.8171.3000111.3Y53 L56 T57 L250 M287 L288 S294Y53-L291 HydrophobicContact CD1-CD2 3.69Å; Y53-L291 HydrophobicContact CE1-CD2 4.08Å; L56-L291 HydrophobicContact CB-CD1 4.17Å; L56-L291 HydrophobicContact CB-CD2 3.73Å; L56-L291 HydrophobicContact CD1-CD2 4.26Å; T57-L291 HydrophobicContact CG2-CB 3.61Å; T57-L291 HydrophobicContact CG2-CD1 4.07Å; T57-L291 HydrophobicContact CG2-CG 4.31Å; L250-L291 HydrophobicContact CD1-CD2 3.99Å; L250-L291 HydrophobicContact CD1-CG 4.37Å; L250-L291 HydrophobicContact CD2-CD2 4.14Å; M287-L291 PolarHBondContact O-N 3.1Å; L288-L291 PolarHBondContact O-N 3.12Å; L288-L291 VanDerWaalsContact O-N 3.13Å; L291-S294 WeakPolarHBondContact O-CB 3.4Å; L291-S294 PolarHBondContact O-N 2.81Å; L291-S294 VanDerWaalsContact O-N 3.13Å; L291-S294 PolarHBondContact O-OG 2.81Å
292F75.2Confident69.9Low2 Ų215.3 Ų15.31%0.0099%0.089CC..G310 helixtrans-58.3-33.3-176.7-143.2-87.6000116.7L85 L288 S294 L295 F298 F861 L890 L893L85-F292 HydrophobicContact CD1-CE2 4Å; L85-F292 HydrophobicContact CD1-CZ 3.9Å; L288-F292 PolarHBondContact O-N 3.36Å; L288-F292 VanDerWaalsContact O-N 3.09Å; F292-S294 PolarHBondContact O-N 3.27Å; F292-S294 VanDerWaalsContact O-N 3.09Å; F292-L295 HydrophobicContact CD1-CD1 4.03Å; F292-L295 HydrophobicContact CD2-CD1 3.85Å; F292-L295 HydrophobicContact CE1-CD1 4.05Å; F292-L295 HydrophobicContact CE2-CD1 3.76Å; F292-L295 HydrophobicContact CG-CD1 4Å; F292-L295 HydrophobicContact CZ-CD1 3.87Å; F292-L295 WeakPolarHBondContact O-CB 3.4Å; F292-L295 WeakPolarHBondContact O-CG 3.19Å; F292-L295 PolarHBondContact O-N 3.46Å; F292-F298 HydrophobicContact CD1-CD2 4.26Å; F292-F298 AromaticContact CD1-CE2 3.97Å; F292-F298 HydrophobicContact CD1-CE2 3.97Å; F292-F298 AromaticContact CE1-CD2 3.72Å; F292-F298 HydrophobicContact CE1-CD2 3.72Å; F292-F298 AromaticContact CE1-CE2 3.07Å; F292-F298 HydrophobicContact CE1-CE2 3.07Å; F292-F298 AromaticContact CE1-CZ 3.52Å; F292-F298 HydrophobicContact CE1-CZ 3.52Å; F292-F298 AromaticContact CZ-CE2 3.53Å; F292-F298 HydrophobicContact CZ-CE2 3.53Å; F292-F298 AromaticContact CZ-CZ 3.75Å; F292-F298 HydrophobicContact CZ-CZ 3.75Å; F292-F861 AromaticContact CD1-CZ 3.85Å; F292-F861 HydrophobicContact CD1-CZ 3.85Å; F292-L890 HydrophobicContact CE2-CD2 4.13Å; F292-L893 HydrophobicContact CB-CD1 4.08Å; F292-L893 HydrophobicContact CB-CD2 4.39Å; F292-L893 HydrophobicContact CD1-CB 3.9Å; F292-L893 HydrophobicContact CD2-CB 3.93Å; F292-L893 HydrophobicContact CD2-CD1 3.9Å; F292-L893 HydrophobicContact CE1-CB 3.85Å; F292-L893 WeakPolarHBondContact CE1-O 3.06Å; F292-L893 HydrophobicContact CE2-CB 3.98Å; F292-L893 HydrophobicContact CG-CB 3.88Å; F292-L893 HydrophobicContact CG-CD1 4.03Å; F292-L893 HydrophobicContact CG-CG 4.38Å; F292-L893 HydrophobicContact CZ-CB 3.93Å
293P68.8Low68.4Low0 Ų017.1 Ų17.10%010%0.099CC..G310 helixtrans-60.7-16175.1-20.528.3000114.8Y237 L241 P289 L290 L295 F861 L862Y237-P293 PolarHBondContact OH-O 3Å; L241-P293 HydrophobicContact CD1-CB 3.88Å; P289-P293 WeakPolarHBondContact O-CD 3.42Å; L290-P293 WeakPolarHBondContact O-CD 3.48Å; P293-L295 PolarHBondContact O-N 2.71Å; P293-F861 HydrophobicContact CB-CD1 4.1Å; P293-F861 HydrophobicContact CB-CE1 3.9Å; P293-F861 HydrophobicContact CG-CD1 4.08Å; P293-F861 HydrophobicContact CG-CE1 3.73Å; P293-L862 HydrophobicContact CB-CD2 3.52Å; P293-L862 HydrophobicContact CG-CD2 3.63Å
294S64.3Low66.6Low1 Ų119.1 Ų19.11%0.00710%0.103CC..G310 helixtrans-84.413.3174.380.40000113.4V48 Y53 N89 L291 F292 P296V48-S294 CarbonylContact O-C 3.38Å; V48-S294 VanDerWaalsContact O-O 3.05Å; Y53-S294 WeakPolarHBondContact CB-OG 3.3Å; N89-S294 PolarHBondContact ND2-O 2.89Å; L291-S294 WeakPolarHBondContact O-CB 3.4Å; L291-S294 PolarHBondContact O-N 2.81Å; L291-S294 VanDerWaalsContact O-N 3.13Å; L291-S294 PolarHBondContact O-OG 2.81Å; F292-S294 PolarHBondContact O-N 3.27Å; F292-S294 VanDerWaalsContact O-N 3.09Å; S294-P296 VanDerWaalsContact C-CD 3.49Å; S294-P296 WeakPolarHBondContact O-CD 3.39Å
295L63.9Low64.4Low4 Ų427.6 Ų27.62%0.02114%0.14CC..  trans-97.792.6177-62-179.6000111.3N89 F292 P293 I297 F298N89-L295 HydrophobicContact CB-CD2 3.68Å; N89-L295 VanDerWaalsContact ND2-CD2 3.25Å; N89-L295 WeakPolarHBondContact ND2-CD2 3.44Å; N89-L295 WeakPolarHBondContact OD1-CA 3.23Å; F292-L295 HydrophobicContact CD1-CD1 4.03Å; F292-L295 HydrophobicContact CD2-CD1 3.85Å; F292-L295 HydrophobicContact CE1-CD1 4.05Å; F292-L295 HydrophobicContact CE2-CD1 3.76Å; F292-L295 HydrophobicContact CG-CD1 4Å; F292-L295 HydrophobicContact CZ-CD1 3.87Å; F292-L295 WeakPolarHBondContact O-CB 3.4Å; F292-L295 WeakPolarHBondContact O-CG 3.19Å; F292-L295 PolarHBondContact O-N 3.46Å; P293-L295 PolarHBondContact O-N 2.71Å; L295-I297 PolarHBondContact O-N 2.91Å; L295-F298 HydrophobicContact CB-CD2 3.93Å; L295-F298 HydrophobicContact CB-CE2 4.14Å; L295-F298 HydrophobicContact CD1-CE2 4.12Å; L295-F298 PolarHBondContact O-N 3.24Å
296P55.2Low62.1Low0 Ų033.7 Ų33.70%017%0.173CC..THydrogen-bonded Turntrans-41.9-30.4173.7-1.8-16.2000118.5V48 N89 L92 A93 S294 F298 F299 I300V48-P296 HydrophobicContact CB-CB 3.86Å; V48-P296 HydrophobicContact CB-CG 3.77Å; V48-P296 HydrophobicContact CG1-CB 3.89Å; V48-P296 VanDerWaalsContact CG1-CD 3.47Å; V48-P296 HydrophobicContact CG1-CG 3.98Å; V48-P296 HydrophobicContact CG2-CB 4.32Å; N89-P296 VanDerWaalsContact CG-CD 3.46Å; N89-P296 VanDerWaalsContact ND2-CD 3.35Å; N89-P296 WeakPolarHBondContact ND2-CD 3.4Å; N89-P296 WeakPolarHBondContact OD1-CD 3.49Å; N89-P296 WeakPolarHBondContact OD1-CG 3.33Å; L92-P296 HydrophobicContact CD2-CB 4.41Å; A93-P296 HydrophobicContact CB-CG 4.1Å; S294-P296 VanDerWaalsContact C-CD 3.49Å; S294-P296 WeakPolarHBondContact O-CD 3.39Å; P296-F298 PolarHBondContact O-N 3.42Å; P296-F299 PolarHBondContact O-N 3.27Å; P296-I300 HydrophobicContact CB-CD1 3.35Å; P296-I300 HydrophobicContact CB-CG1 4.3Å; P296-I300 WeakPolarHBondContact O-CG1 3.18Å; P296-I300 PolarHBondContact O-N 3.47Å
297I57.7Low59.6Low36 Ų3633.7 Ų33.719%0.18517%0.173CC..Hα-helixtrans-51.6-36.3-179.7-66.4151.3000112.1L88 N89 L92 L295 F299L88-I297 HydrophobicContact CB-CD1 3.68Å; L88-I297 HydrophobicContact CD2-CD1 3.52Å; L88-I297 HydrophobicContact CD2-CG1 4.04Å; L88-I297 HydrophobicContact CD2-CG2 4.27Å; L88-I297 HydrophobicContact CG-CD1 3.51Å; L88-I297 HydrophobicContact CG-CG1 3.97Å; N89-I297 HydrophobicContact CB-CD1 3.71Å; N89-I297 HydrophobicContact CB-CG1 4.36Å; N89-I297 VanDerWaalsContact N-CD1 3.34Å; N89-I297 PolarHBondContact OD1-N 3.33Å; L92-I297 HydrophobicContact CB-CG1 4.33Å; L92-I297 HydrophobicContact CD2-CB 4.07Å; L92-I297 HydrophobicContact CD2-CG1 3.65Å; L295-I297 PolarHBondContact O-N 2.91Å; I297-F299 VanDerWaalsContact C-N 3.35Å; I297-F299 PolarHBondContact O-N 3.06Å
298F54.1Low56.8Low26 Ų2636 Ų3611%0.11420%0.195CC..Hα-helixtrans-78.7-18.2-176.5-64-64.6000114.1L85 F292 L295 P296 F302 P898L85-F298 HydrophobicContact CD2-CZ 4.4Å; F292-F298 HydrophobicContact CD1-CD2 4.26Å; F292-F298 AromaticContact CD1-CE2 3.97Å; F292-F298 HydrophobicContact CD1-CE2 3.97Å; F292-F298 AromaticContact CE1-CD2 3.72Å; F292-F298 HydrophobicContact CE1-CD2 3.72Å; F292-F298 AromaticContact CE1-CE2 3.07Å; F292-F298 HydrophobicContact CE1-CE2 3.07Å; F292-F298 AromaticContact CE1-CZ 3.52Å; F292-F298 HydrophobicContact CE1-CZ 3.52Å; F292-F298 AromaticContact CZ-CE2 3.53Å; F292-F298 HydrophobicContact CZ-CE2 3.53Å; F292-F298 AromaticContact CZ-CZ 3.75Å; F292-F298 HydrophobicContact CZ-CZ 3.75Å; L295-F298 HydrophobicContact CB-CD2 3.93Å; L295-F298 HydrophobicContact CB-CE2 4.14Å; L295-F298 HydrophobicContact CD1-CE2 4.12Å; L295-F298 PolarHBondContact O-N 3.24Å; P296-F298 PolarHBondContact O-N 3.42Å; F298-F302 WeakPolarHBondContact O-CD2 3.39Å; F298-F302 VanDerWaalsContact O-CE2 3.3Å; F298-F302 WeakPolarHBondContact O-CE2 3.35Å; F298-P898 HydrophobicContact CD1-CB 3.28Å; F298-P898 HydrophobicContact CD1-CG 3.27Å; F298-P898 HydrophobicContact CE1-CB 3.68Å; F298-P898 HydrophobicContact CE1-CG 3.26Å; F298-P898 HydrophobicContact CG-CB 4.22Å; F298-P898 HydrophobicContact CG-CG 4.09Å; F298-P898 HydrophobicContact CZ-CG 4.12Å
299F55.3Low54.2Low13 Ų1340.6 Ų40.66%0.05723%0.233CC..Hα-helixtrans-107.2-31.6-178-65.5-69.8000112.6P296 I297 F854 F858 F861P296-F299 PolarHBondContact O-N 3.27Å; I297-F299 VanDerWaalsContact C-N 3.35Å; I297-F299 PolarHBondContact O-N 3.06Å; F299-F854 HydrophobicContact CB-CE2 4.12Å; F299-F854 HydrophobicContact CB-CZ 4.27Å; F299-F854 AromaticContact CD1-CE2 3.7Å; F299-F854 HydrophobicContact CD1-CE2 3.7Å; F299-F854 AromaticContact CD1-CZ 3.72Å; F299-F854 HydrophobicContact CD1-CZ 3.72Å; F299-F854 HydrophobicContact CE1-CZ 4.49Å; F299-F854 HydrophobicContact CG-CE2 4.31Å; F299-F854 HydrophobicContact CG-CZ 4.23Å; F299-F858 HydrophobicContact CD1-CD2 4.47Å; F299-F858 HydrophobicContact CE1-CB 4.33Å; F299-F858 AromaticContact CE1-CD2 3.61Å; F299-F858 HydrophobicContact CE1-CD2 3.61Å; F299-F858 HydrophobicContact CE1-CE2 4.45Å; F299-F858 HydrophobicContact CE1-CG 4.45Å; F299-F858 HydrophobicContact CE2-CD2 4.24Å; F299-F858 HydrophobicContact CE2-CE2 4.31Å; F299-F858 AromaticContact CZ-CD2 3.48Å; F299-F858 HydrophobicContact CZ-CD2 3.48Å; F299-F858 VanDerWaalsContact CZ-CD2 3.48Å; F299-F858 AromaticContact CZ-CE2 3.95Å; F299-F858 HydrophobicContact CZ-CE2 3.95Å; F299-F861 HydrophobicContact CZ-CB 4.39Å; F299-F861 HydrophobicContact CZ-CD1 4.21Å; F299-F861 HydrophobicContact CZ-CD2 4.46Å; F299-F861 HydrophobicContact CZ-CG 4.07Å
300I51.3Low51.6Low24 Ų2444.6 Ų44.612%0.12325%0.251CS..Hα-helixtrans-78.1-30.2-179.3-65.1159.6000111.5L92 V96 P296 F302 N303 R304L92-I300 HydrophobicContact CD1-CG2 4.31Å; L92-I300 HydrophobicContact CD2-CB 4.05Å; L92-I300 HydrophobicContact CD2-CD1 3.76Å; L92-I300 HydrophobicContact CD2-CG2 4.35Å; L92-I300 HydrophobicContact CG-CD1 3.83Å; V96-I300 HydrophobicContact CB-CD1 4.39Å; V96-I300 HydrophobicContact CG2-CD1 3.74Å; V96-I300 HydrophobicContact CG2-CG1 4.48Å; V96-I300 HydrophobicContact CG2-CG2 4.09Å; P296-I300 HydrophobicContact CB-CD1 3.35Å; P296-I300 HydrophobicContact CB-CG1 4.3Å; P296-I300 WeakPolarHBondContact O-CG1 3.18Å; P296-I300 PolarHBondContact O-N 3.47Å; I300-F302 PolarHBondContact O-N 3.11Å; I300-N303 PolarHBondContact O-N 3.27Å; I300-R304 PolarHBondContact O-N 2.92Å
301G45.7Very low48.9Very low44 Ų4449.5 Ų49.545%0.45428%0.276SS..Hα-helixtrans-56.9-37.2172.500000112.8N303G301-N303 VanDerWaalsContact C-N 3.32Å; G301-N303 PolarHBondContact O-N 3.46Å
302F45.3Very low46.7Very low62 Ų6253.8 Ų53.827%0.27230%0.296SS..Hα-helixtrans-75.2-20.8176.2-70.5-57.8000114.5F298 I300 A902 A905F298-F302 WeakPolarHBondContact O-CD2 3.39Å; F298-F302 VanDerWaalsContact O-CE2 3.3Å; F298-F302 WeakPolarHBondContact O-CE2 3.35Å; I300-F302 PolarHBondContact O-N 3.11Å; F302-A902 HydrophobicContact CD1-CB 4.11Å; F302-A902 HydrophobicContact CE1-CB 3.06Å; F302-A902 HydrophobicContact CE2-CB 3.96Å; F302-A902 HydrophobicContact CZ-CB 2.97Å; F302-A905 HydrophobicContact CB-CB 4.49Å; F302-A905 HydrophobicContact CD1-CB 4.36Å; F302-A905 HydrophobicContact CG-CB 4.27Å
303N46.7Very low44.8Very low61 Ų6155.7 Ų55.733%0.32631%0.306SS..Hα-helixtrans-83.6-13.1179.9-84.4-23.3000112.2I300 G301 G307 I311I300-N303 PolarHBondContact O-N 3.27Å; G301-N303 VanDerWaalsContact C-N 3.32Å; G301-N303 PolarHBondContact O-N 3.46Å; N303-G307 CarbonylContact O-C 3.33Å; N303-G307 WeakPolarHBondContact O-CA 3.13Å; N303-G307 PolarHBondContact O-N 3.35Å; N303-I311 HydrophobicContact CB-CD1 4.17Å; N303-I311 WeakPolarHBondContact O-CD1 3.21Å
304R42.9Very low43.2Very low89 Ų8959.7 Ų59.734%0.33632%0.323SS..Hα-helixtrans-115.5-22.3-159.5-147.1168173.9154-8.3117.5Y95 I300 A308Y95-R304 PolarHBondContact OH-NH2 3.49Å; I300-R304 PolarHBondContact O-N 2.92Å; R304-A308 HydrophobicContact CG-CB 3.72Å; R304-A308 VanDerWaalsContact O-CB 3.27Å; R304-A308 WeakPolarHBondContact O-CB 3.43Å; R304-A308 PolarHBondContact O-N 2.92Å
305E35.9Very low41.8Very low187 Ų18761 Ų6187%0.87433%0.329SS*.THydrogen-bonded Turntrans-79.2-26.4-177.4-77.4-173.216200114.8
306D35.3Very low40.5Very low131 Ų13161 Ų6170%0.70133%0.329SS*.THydrogen-bonded Turntrans-114.5-24.9161.7-74-44.1000111.7F310D306-F310 WeakPolarHBondContact O-CB 3.19Å
307G31Very low39.6Very low3 Ų361.5 Ų61.53%0.03133%0.332CS..G310 helixtrans-79.4-16.7-177.200000114.8N303 A309 F310 I311N303-G307 CarbonylContact O-C 3.33Å; N303-G307 WeakPolarHBondContact O-CA 3.13Å; N303-G307 PolarHBondContact O-N 3.35Å; G307-A309 PolarHBondContact O-N 2.8Å; G307-A309 VanDerWaalsContact O-N 3.11Å; G307-F310 CarbonylContact O-C 3.3Å; G307-F310 VanDerWaalsContact O-C 3.29Å; G307-F310 WeakPolarHBondContact O-CA 3.2Å; G307-F310 PolarHBondContact O-N 3.47Å; G307-I311 VanDerWaalsContact C-CD1 3.48Å; G307-I311 WeakPolarHBondContact O-CA 3.43Å; G307-I311 WeakPolarHBondContact O-CB 3.17Å; G307-I311 VanDerWaalsContact O-CD1 3.23Å; G307-I311 WeakPolarHBondContact O-CD1 3.38Å; G307-I311 WeakPolarHBondContact O-CG1 3.21Å; G307-I311 PolarHBondContact O-N 2.93Å
308A28Very low38.9Very low66 Ų6661 Ų6155%0.54533%0.329SS..G310 helixtrans-65.8-21.7179.200000114.2R304R304-A308 HydrophobicContact CG-CB 3.72Å; R304-A308 VanDerWaalsContact O-CB 3.27Å; R304-A308 WeakPolarHBondContact O-CB 3.43Å; R304-A308 PolarHBondContact O-N 2.92Å
309A31Very low37.9Very low99 Ų9959.9 Ų59.982%0.81832%0.324SS*.G310 helixtrans-96.8-7167.800000113G307G307-A309 PolarHBondContact O-N 2.8Å; G307-A309 VanDerWaalsContact O-N 3.11Å
310F31.5Very low37.3Very low84 Ų8459.3 Ų59.337%0.36832%0.321SS..THydrogen-bonded Turntrans-115.6-7.3-175.9-123.7-86.8000113.5D306 G307 E312 D313 L846D306-F310 WeakPolarHBondContact O-CB 3.19Å; G307-F310 CarbonylContact O-C 3.3Å; G307-F310 VanDerWaalsContact O-C 3.29Å; G307-F310 WeakPolarHBondContact O-CA 3.2Å; G307-F310 PolarHBondContact O-N 3.47Å; F310-E312 PolarHBondContact O-N 3.37Å; F310-E312 VanDerWaalsContact O-N 3.15Å; F310-D313 WeakPolarHBondContact CD1-OD2 3.4Å; F310-D313 VanDerWaalsContact CE1-OD2 3.29Å; F310-D313 WeakPolarHBondContact CE1-OD2 3.38Å; F310-D313 WeakPolarHBondContact O-CB 3.19Å; F310-D313 PolarHBondContact O-N 2.99Å; F310-L846 HydrophobicContact CD1-CD2 4.36Å; F310-L846 HydrophobicContact CE1-CD2 3.22Å; F310-L846 HydrophobicContact CE1-CG 3.96Å; F310-L846 HydrophobicContact CE2-CD2 4.26Å; F310-L846 HydrophobicContact CZ-CD2 3.17Å; F310-L846 HydrophobicContact CZ-CG 4.34Å
311I29.3Very low37Very low105 Ų10558.6 Ų58.654%0.53832%0.318SS..THydrogen-bonded Turntrans-89.142175.7-63.6157.2000107.5N303 G307N303-I311 HydrophobicContact CB-CD1 4.17Å; N303-I311 WeakPolarHBondContact O-CD1 3.21Å; G307-I311 VanDerWaalsContact C-CD1 3.48Å; G307-I311 WeakPolarHBondContact O-CA 3.43Å; G307-I311 WeakPolarHBondContact O-CB 3.17Å; G307-I311 VanDerWaalsContact O-CD1 3.23Å; G307-I311 WeakPolarHBondContact O-CD1 3.38Å; G307-I311 WeakPolarHBondContact O-CG1 3.21Å; G307-I311 PolarHBondContact O-N 2.93Å
312E31.6Very low37.3Very low93 Ų9357 Ų5744%0.43530%0.299SS..THydrogen-bonded Turntrans-104.3-5.9144.7-89.8-172159.600110.6K107 F310 K314 S829K107-E312 WeakPolarHBondContact CE-OE1 3.34Å; K107-E312 IonicContact NZ-OE1 2.88Å; K107-E312 PolarHBondContact NZ-OE1 3.21Å; F310-E312 PolarHBondContact O-N 3.37Å; F310-E312 VanDerWaalsContact O-N 3.15Å; E312-K314 PolarHBondContact O-N 3.5Å; E312-K314 VanDerWaalsContact O-N 3.07Å; E312-S829 VanDerWaalsContact CB-O 3.28Å; E312-S829 WeakPolarHBondContact CB-O 3.47Å; E312-S829 WeakPolarHBondContact CG-O 3.47Å; E312-S829 WeakPolarHBondContact O-CB 3.39Å
313D35.6Very low37.5Very low42 Ų4255.1 Ų55.123%0.22529%0.294CS..  trans-91.376.3-177.1-74.3-32000113.2F310 T843F310-D313 WeakPolarHBondContact CD1-OD2 3.4Å; F310-D313 VanDerWaalsContact CE1-OD2 3.29Å; F310-D313 WeakPolarHBondContact CE1-OD2 3.38Å; F310-D313 WeakPolarHBondContact O-CB 3.19Å; F310-D313 PolarHBondContact O-N 2.99Å; D313-T843 HydrophobicContact CB-CG2 4.23Å; D313-T843 WeakPolarHBondContact OD1-CG2 3.47Å; D313-T843 VanDerWaalsContact OD2-CG2 3.29Å; D313-T843 WeakPolarHBondContact OD2-CG2 3.39Å
314K35.4Very low38Very low83 Ų8352.6 Ų52.636%0.36128%0.28SS..  trans-66132154.5-65.1-173.8179.9173.80109.1E312 P316 V790E312-K314 PolarHBondContact O-N 3.5Å; E312-K314 VanDerWaalsContact O-N 3.07Å; K314-P316 WeakPolarHBondContact O-CD 3.35Å; K314-V790 HydrophobicContact CB-CB 4.28Å; K314-V790 HydrophobicContact CB-CG1 4.05Å; K314-V790 HydrophobicContact CB-CG2 3.38Å; K314-V790 HydrophobicContact CD-CG2 4.28Å; K314-V790 HydrophobicContact CG-CG2 4.5Å; K314-V790 WeakPolarHBondContact O-CG1 3.33Å
315K35.4Very low38.9Very low29 Ų2949.7 Ų49.713%0.12627%0.27CS..  trans-59.1126.3176.8-71157.9172.6-80.90113.6T317 V790 S847 L851K315-T317 HydrophobicContact CB-CG2 4.38Å; K315-T317 PolarHBondContact O-N 3.44Å; K315-V790 WeakPolarHBondContact O-CG2 3.38Å; K315-S847 VanDerWaalsContact CE-O 3.27Å; K315-S847 WeakPolarHBondContact CE-O 2.85Å; K315-S847 VanDerWaalsContact NZ-C 3.31Å; K315-S847 PolarHBondContact NZ-O 3.36Å; K315-L851 HydrophobicContact CD-CB 4.38Å; K315-L851 HydrophobicContact CD-CD1 4.49Å; K315-L851 HydrophobicContact CD-CD2 3.86Å; K315-L851 HydrophobicContact CD-CG 4.45Å; K315-L851 VanDerWaalsContact CE-CG 3.46Å
316P36.4Very low39.8Very low4 Ų440.8 Ų40.83%0.02623%0.228CC..  trans-88.4109.7159.737.6-31.2000107.6K314 C771 I844K314-P316 WeakPolarHBondContact O-CD 3.35Å; P316-C771 HydrophobicContact CB-CB 3.31Å; P316-C771 WeakPolarHBondContact CB-SG 3.19Å; P316-I844 HydrophobicContact CG-CD1 3.59Å; P316-I844 HydrophobicContact CG-CG1 3.34Å
317T35.4Very low41.6Very low11 Ų1134.9 Ų34.97%0.06720%0.197CC..  trans-135.493.6174.649.60000110.2K315 V769 T918K315-T317 HydrophobicContact CB-CG2 4.38Å; K315-T317 PolarHBondContact O-N 3.44Å; T317-V769 CarbonylContact C-O 3.51Å; T317-V769 VanDerWaalsContact C-O 3.32Å; T317-V769 WeakPolarHBondContact O-CB 3.48Å; T317-T918 HydrophobicContact CG2-CG2 3.48Å; T317-T918 VanDerWaalsContact CG2-CG2 3.48Å
318K43Very low43.8Very low25 Ų2534.8 Ų34.811%0.10920%0.195CC..SBendtrans101.8108.5171.3-62.7-175.5-176173.40115.4E768 V769 T918K318-E768 WeakPolarHBondContact CD-OE2 3.41Å; K318-V769 CarbonylContact C-O 3.57Å; K318-V769 CarbonylContact O-C 3.51Å; K318-T918 WeakPolarHBondContact CE-O 3.49Å; K318-T918 WeakPolarHBondContact CE-OG1 2.92Å; K318-T918 PolarHBondContact NZ-O 2.9Å
319R34.4Very low46Very low3 Ų331.7 Ų31.71%0.01117%0.17CC..  trans76.2104.3-179.7-59.9-171.5-176.3129.841.2113.3R636 V638 L743 M763 E768 C771R319-R636 WeakPolarHBondContact CA-O 3.5Å; R319-R636 HydrophobicContact CG-CB 4.16Å; R319-R636 PolarHBondContact N-O 3.15Å; R319-V638 HydrophobicContact CB-CG2 4.13Å; R319-V638 HydrophobicContact CG-CG2 3.65Å; R319-L743 PolarHBondContact NE-O 3.26Å; R319-L743 VanDerWaalsContact NE-O 3.09Å; R319-L743 PolarHBondContact NH1-O 2.78Å; R319-L743 VanDerWaalsContact NH2-C 3.33Å; R319-L743 PolarHBondContact NH2-O 2.97Å; R319-M763 WeakPolarHBondContact CD-SD 3.1Å; R319-M763 VanDerWaalsContact NH1-CG 3.28Å; R319-M763 PolarHBondContact NH1-SD 2.63Å; R319-E768 IonicContact NH2-OE1 3.18Å; R319-C771 CarbonylContact O-C 3.51Å; R319-C771 PolarHBondContact O-N 2.97Å
320N42.4Very low47.9Very low0 Ų028.1 Ų28.10%014%0.135CC..EExtended strand (participates in β ladder)trans-94.6124.8165-63-5.7000107.9F322 L630 R636 V638 C771N320-F322 HydrophobicContact CB-CD2 3.87Å; N320-F322 HydrophobicContact CB-CE2 3.36Å; N320-F322 HydrophobicContact CB-CZ 4.34Å; N320-L630 WeakPolarHBondContact ND2-CD1 3.31Å; N320-R636 PolarHBondContact N-O 3.39Å; N320-V638 CarbonylContact O-C 3.45Å; N320-V638 PolarHBondContact O-N 3.25Å; N320-C771 CarbonylContact C-O 3.58Å; N320-C771 WeakPolarHBondContact CA-O 3.26Å
321V43.7Very low49.4Very low10 Ų1024.8 Ų24.86%0.06112%0.122CC..EExtended strand (participates in β ladder)trans-100.2117.1176.9174.30000109.5V638 F640 V770 C771 V772 V773V321-V638 WeakPolarHBondContact CA-O 3.37Å; V321-F640 HydrophobicContact CB-CD2 3.96Å; V321-F640 HydrophobicContact CB-CE2 4.17Å; V321-F640 HydrophobicContact CG1-CB 3.97Å; V321-F640 HydrophobicContact CG1-CD2 3.25Å; V321-F640 HydrophobicContact CG1-CE2 3.84Å; V321-F640 HydrophobicContact CG1-CG 3.73Å; V321-F640 HydrophobicContact CG2-CD2 3.7Å; V321-F640 HydrophobicContact CG2-CE2 3.38Å; V321-F640 HydrophobicContact CG2-CZ 4.3Å; V321-V770 HydrophobicContact CG2-CG1 4.16Å; V321-C771 PolarHBondContact N-O 2.71Å; V321-V772 HydrophobicContact CB-CB 4.47Å; V321-V772 HydrophobicContact CB-CG1 4.36Å; V321-V772 HydrophobicContact CB-CG2 4.07Å; V321-V772 HydrophobicContact CG2-CG2 4.29Å; V321-V773 CarbonylContact O-C 3.46Å; V321-V773 WeakPolarHBondContact O-CA 3.08Å; V321-V773 PolarHBondContact O-N 2.88Å
322F52.7Low51.1Low9 Ų920.6 Ų20.64%0.03910%0.101CC..EExtended strand (participates in β ladder)trans-116.5146.7-175.9-76.4-95.8000114.6N320 I327 L328 L626 F637 V773N320-F322 HydrophobicContact CB-CD2 3.87Å; N320-F322 HydrophobicContact CB-CE2 3.36Å; N320-F322 HydrophobicContact CB-CZ 4.34Å; F322-I327 HydrophobicContact CD1-CG2 4.06Å; F322-I327 HydrophobicContact CE1-CG2 4.48Å; F322-L328 HydrophobicContact CB-CD1 3.59Å; F322-L328 HydrophobicContact CB-CD2 3.79Å; F322-L328 HydrophobicContact CB-CG 3.87Å; F322-L328 HydrophobicContact CD1-CD2 3.71Å; F322-L328 HydrophobicContact CD1-CG 4.4Å; F322-L328 HydrophobicContact CE1-CD2 4.34Å; F322-L328 HydrophobicContact CG-CD1 4.5Å; F322-L328 HydrophobicContact CG-CD2 3.8Å; F322-L328 HydrophobicContact CG-CG 4.4Å; F322-L626 HydrophobicContact CZ-CD2 4.49Å; F322-F637 HydrophobicContact CB-CZ 4.07Å; F322-F637 AromaticContact CD2-CD2 3.98Å; F322-F637 HydrophobicContact CD2-CD2 3.98Å; F322-F637 HydrophobicContact CD2-CE1 4.35Å; F322-F637 AromaticContact CD2-CE2 3.17Å; F322-F637 HydrophobicContact CD2-CE2 3.17Å; F322-F637 AromaticContact CD2-CZ 3.4Å; F322-F637 HydrophobicContact CD2-CZ 3.4Å; F322-F637 AromaticContact CE2-CD2 3.82Å; F322-F637 HydrophobicContact CE2-CD2 3.82Å; F322-F637 AromaticContact CE2-CE2 3.19Å; F322-F637 HydrophobicContact CE2-CE2 3.19Å; F322-F637 AromaticContact CE2-CZ 3.93Å; F322-F637 HydrophobicContact CE2-CZ 3.93Å; F322-F637 HydrophobicContact CG-CE2 4.03Å; F322-F637 AromaticContact CG-CZ 3.91Å; F322-F637 HydrophobicContact CG-CZ 3.91Å; F322-F637 HydrophobicContact CZ-CE2 4.09Å; F322-V773 VanDerWaalsContact CA-O 3.28Å; F322-V773 WeakPolarHBondContact CA-O 3.08Å; F322-V773 HydrophobicContact CD1-CB 3.62Å; F322-V773 HydrophobicContact CD1-CG1 3.69Å; F322-V773 HydrophobicContact CD1-CG2 4.49Å; F322-V773 HydrophobicContact CD2-CB 4.33Å; F322-V773 HydrophobicContact CE1-CB 3.42Å; F322-V773 VanDerWaalsContact CE1-CB 3.42Å; F322-V773 HydrophobicContact CE1-CG1 3.26Å; F322-V773 HydrophobicContact CE1-CG2 3.93Å; F322-V773 HydrophobicContact CE2-CB 4.16Å; F322-V773 HydrophobicContact CE2-CG2 4.06Å; F322-V773 HydrophobicContact CG-CB 4.09Å; F322-V773 HydrophobicContact CZ-CB 3.7Å; F322-V773 HydrophobicContact CZ-CG1 3.91Å; F322-V773 HydrophobicContact CZ-CG2 3.68Å
323S49.8Very low52.6Low24 Ų2416.9 Ų16.917%0.1688%0.084CC..  trans-86.2140.9167.4-177.80000111.5S138 L328S138-S323 PolarHBondContact OG-OG 3Å; S323-L328 WeakPolarHBondContact O-CG 3.24Å
324T57.4Low54.1Low7 Ų715.9 Ų15.94%0.0438%0.081CC..THydrogen-bonded Turntrans-66.9-56.6-168.244.70000115.3L328 S329 H639 F653T324-L328 WeakPolarHBondContact O-CB 3.44Å; T324-L328 PolarHBondContact O-N 2.89Å; T324-S329 PolarHBondContact O-N 3.23Å; T324-S329 VanDerWaalsContact O-N 3.16Å; T324-S329 PolarHBondContact O-OG 3.21Å; T324-H639 WeakPolarHBondContact CG2-CE1 3.48Å; T324-H639 WeakPolarHBondContact CG2-NE2 3.5Å; T324-F653 HydrophobicContact CG2-CD1 4.37Å; T324-F653 HydrophobicContact CG2-CE1 4.15Å
325K60.7Low55.9Low28 Ų2812.3 Ų12.312%0.1227%0.066CC..BIsolated β-bridgetrans-95122.7-159.4-72.7169.6-175.2164.90112.6E137 S138 I327 L617E137-K325 HydrophobicContact CB-CD 4.48Å; E137-K325 IonicContact OE1-NZ 3.58Å; E137-K325 PolarHBondContact OE1-NZ 3.36Å; E137-K325 IonicContact OE2-NZ 3.79Å; S138-K325 WeakPolarHBondContact CB-O 3.45Å; S138-K325 PolarHBondContact OG-O 3.36Å; K325-I327 PolarHBondContact O-N 3.08Å; K325-L617 HydrophobicContact CG-CD1 4.07Å; K325-L617 HydrophobicContact CG-CD2 3.74Å; K325-L617 HydrophobicContact CG-CG 4.44Å
326G54.9Low57.7Low0 Ų013 Ų130%07%0.069CC..THydrogen-bonded Turntrans81.7-7.5177.600000114.9S329 M797 L834G326-S329 CarbonylContact C-O 3.3Å; G326-S329 WeakPolarHBondContact CA-O 3.41Å; G326-S329 PolarHBondContact N-O 2.9Å; G326-S329 VanDerWaalsContact N-O 3.12Å; G326-M797 PolarHBondContact O-N 3.48Å; G326-M797 VanDerWaalsContact O-N 3.14Å; G326-L834 WeakPolarHBondContact O-CD1 3.37Å
327I73.9Confident59.7Low8 Ų814.9 Ų14.94%0.0418%0.077CC..THydrogen-bonded Turntrans-106.9-66.2168.1-61.3170000109.8F322 K325 V794 P796 L834F322-I327 HydrophobicContact CD1-CG2 4.06Å; F322-I327 HydrophobicContact CE1-CG2 4.48Å; K325-I327 PolarHBondContact O-N 3.08Å; I327-V794 HydrophobicContact CD1-CB 4.1Å; I327-V794 HydrophobicContact CD1-CG1 4.43Å; I327-V794 HydrophobicContact CG1-CB 4.36Å; I327-V794 HydrophobicContact CG1-CG1 4.14Å; I327-V794 HydrophobicContact CG2-CG1 4.45Å; I327-P796 HydrophobicContact CG1-CB 4.04Å; I327-L834 HydrophobicContact CG1-CD1 4.32Å
328L76.7Confident61.7Low0 Ų014.4 Ų14.40%08%0.075CC..THydrogen-bonded Turntrans-78.5-36.1-179.7-61.4177.2000112.5F322 S323 T324 P619 K620 I623 F637 F653 M657F322-L328 HydrophobicContact CB-CD1 3.59Å; F322-L328 HydrophobicContact CB-CD2 3.79Å; F322-L328 HydrophobicContact CB-CG 3.87Å; F322-L328 HydrophobicContact CD1-CD2 3.71Å; F322-L328 HydrophobicContact CD1-CG 4.4Å; F322-L328 HydrophobicContact CE1-CD2 4.34Å; F322-L328 HydrophobicContact CG-CD1 4.5Å; F322-L328 HydrophobicContact CG-CD2 3.8Å; F322-L328 HydrophobicContact CG-CG 4.4Å; S323-L328 WeakPolarHBondContact O-CG 3.24Å; T324-L328 WeakPolarHBondContact O-CB 3.44Å; T324-L328 PolarHBondContact O-N 2.89Å; L328-P619 WeakPolarHBondContact O-CA 3.12Å; L328-K620 PolarHBondContact O-N 3.2Å; L328-I623 HydrophobicContact CD2-CD1 4.18Å; L328-I623 HydrophobicContact CD2-CG2 3.81Å; L328-F637 HydrophobicContact CD1-CZ 4.26Å; L328-F637 HydrophobicContact CD2-CE2 4.4Å; L328-F637 HydrophobicContact CD2-CZ 3.81Å; L328-F653 HydrophobicContact CB-CE1 4.18Å; L328-F653 HydrophobicContact CB-CZ 3.8Å; L328-F653 HydrophobicContact CD1-CE1 4.2Å; L328-M657 HydrophobicContact CB-SD 4.17Å; L328-M657 HydrophobicContact CD1-CE 4.37Å; L328-M657 HydrophobicContact CD1-SD 3.85Å; L328-M657 HydrophobicContact CG-SD 4.42Å
329S73.9Confident63.6Low1 Ų113.7 Ų13.71%0.0077%0.072CC..BIsolated β-bridgetrans-110.8166.7175.576.30000112.1T324 G326 L617 L618T324-S329 PolarHBondContact O-N 3.23Å; T324-S329 VanDerWaalsContact O-N 3.16Å; T324-S329 PolarHBondContact O-OG 3.21Å; G326-S329 CarbonylContact C-O 3.3Å; G326-S329 WeakPolarHBondContact CA-O 3.41Å; G326-S329 PolarHBondContact N-O 2.9Å; G326-S329 VanDerWaalsContact N-O 3.12Å; S329-L617 WeakPolarHBondContact OG-CD2 3.23Å; S329-L617 VanDerWaalsContact OG-CG 3.29Å; S329-L617 WeakPolarHBondContact OG-CG 3.49Å; S329-L618 WeakPolarHBondContact CA-O 2.95Å; S329-L618 VanDerWaalsContact CB-O 3.29Å; S329-L618 WeakPolarHBondContact CB-O 2.92Å
330W70.9Confident65.8Low25 Ų2513.6 Ų13.610%0.0957%0.071CC..  trans-59.7144.9159.7-61.7111.9000110.7D332 P380 K620 M797W330-D332 VanDerWaalsContact C-N 3.33Å; W330-P380 HydrophobicContact CD2-CB 4.09Å; W330-P380 HydrophobicContact CE3-CB 3.51Å; W330-P380 HydrophobicContact CH2-CB 4.24Å; W330-P380 HydrophobicContact CZ3-CB 3.6Å; W330-P380 HydrophobicContact CZ3-CG 4.15Å; W330-K620 HydrophobicContact CD2-CD 4.47Å; W330-K620 HydrophobicContact CD2-CG 4.12Å; W330-K620 HydrophobicContact CE3-CD 4.48Å; W330-K620 HydrophobicContact CG-CG 4.45Å; W330-K620 HydrophobicContact CZ2-CG 4.23Å; W330-M797 HydrophobicContact CE3-CE 4.3Å; W330-M797 HydrophobicContact CE3-SD 3.64Å; W330-M797 HydrophobicContact CZ3-CE 3.87Å; W330-M797 HydrophobicContact CZ3-SD 3.46Å; W330-M797 WeakPolarHBondContact CZ3-SD 3.38Å
331P64.5Low67.6Low13 Ų1313.7 Ų13.78%0.0847%0.071CC..SBendtrans-68.8-34.6-177.729.2-35.3000111.8P333 M797 P799P331-P333 WeakPolarHBondContact O-CD 3.48Å; P331-M797 HydrophobicContact CB-CB 4.36Å; P331-M797 WeakPolarHBondContact CB-O 3.37Å; P331-M797 HydrophobicContact CG-CB 3.72Å; P331-P799 HydrophobicContact CB-CB 4.44Å; P331-P799 HydrophobicContact CB-CG 4.25Å
332D65Low69.1Low18 Ų1814.4 Ų14.410%0.0968%0.077CC..SBendtrans-105.7100.3172.6-52.4-67.2000108.9W330 F381 S800W330-D332 VanDerWaalsContact C-N 3.33Å; D332-F381 HydrophobicContact CB-CE1 3.93Å; D332-F381 VanDerWaalsContact OD2-CE1 3.27Å; D332-F381 WeakPolarHBondContact OD2-CE1 3.28Å; D332-S800 PolarHBondContact OD2-N 3.49Å; D332-S800 VanDerWaalsContact OD2-O 3.12Å
333P62.9Low69.9Low14 Ų1415.9 Ų15.99%0.0919%0.089CC..PPolyproline II helixtrans-56.7141.7169.611.6-29.8000113.5P331 L617P331-P333 WeakPolarHBondContact O-CD 3.48Å; P333-L617 HydrophobicContact CG-CD1 4.4Å
334S65.9Low70.4Confident22 Ų2218.5 Ų18.515%0.15410%0.101CC..PPolyproline II helixtrans-93.8163.5-169.845.60000113.2Q375S334-Q375 PolarHBondContact OG-OE1 2.93Å
335V74.1Confident70.2Confident7 Ų720.3 Ų20.34%0.04212%0.116CC..PPolyproline II helixtrans-70.5128.4170.3-174.40000108.4L373 L441 L444V335-L373 HydrophobicContact CG1-CD1 4.19Å; V335-L373 WeakPolarHBondContact O-CB 3.23Å; V335-L441 HydrophobicContact CG2-CD2 4.18Å; V335-L444 HydrophobicContact CG1-CD2 4.48Å; V335-L444 HydrophobicContact CG2-CB 4.22Å
336E72.8Confident69.1Low43 Ų4326.2 Ų26.220%0.20114%0.144CC..  trans-110.2-34.3-176.2-173.2-178.8-155.600112.2D372 L373 K612 T616 K656E336-D372 WeakPolarHBondContact O-CA 3.49Å; E336-L373 PolarHBondContact O-N 3.28Å; E336-K612 PolarHBondContact N-O 2.97Å; E336-K612 IonicContact OE2-NZ 2.64Å; E336-K612 PolarHBondContact OE2-NZ 2.99Å; E336-T616 PolarHBondContact OE2-OG1 2.92Å; E336-K656 IonicContact OE1-NZ 2.67Å; E336-K656 PolarHBondContact OE1-NZ 2.89Å; E336-K656 IonicContact OE2-NZ 3.51Å
337K77.8Confident68.3Low45 Ų4533.7 Ų33.720%0.19618%0.179CC..EExtended strand (participates in β ladder)trans-142.8141.7-179.2-51.8-173.8172-91.10111.7V370 M371 D372 F542 K612K337-V370 HydrophobicContact CB-CG1 4.13Å; K337-V370 HydrophobicContact CD-CG1 4.01Å; K337-V370 HydrophobicContact CG-CG1 4.47Å; K337-M371 CarbonylContact C-O 3.58Å; K337-M371 WeakPolarHBondContact CA-O 3.12Å; K337-D372 WeakPolarHBondContact CG-OD1 3.34Å; K337-D372 IonicContact NZ-OD1 3.08Å; K337-D372 PolarHBondContact NZ-OD1 3.44Å; K337-D372 IonicContact NZ-OD2 2.97Å; K337-F542 HydrophobicContact CB-CZ 4.38Å; K337-K612 HydrophobicContact CB-CB 3.78Å; K337-K612 HydrophobicContact CB-CD 4.09Å; K337-K612 HydrophobicContact CD-CD 4.05Å; K337-K612 HydrophobicContact CG-CD 3.94Å; K337-K612 CarbonylContact O-C 3.29Å; K337-K612 VanDerWaalsContact O-CA 3.26Å; K337-K612 WeakPolarHBondContact O-CA 3.43Å; K337-K612 WeakPolarHBondContact O-CB 3.34Å; K337-K612 PolarHBondContact O-N 2.98Å
338A79.1Confident66.3Low1 Ų138.3 Ų38.31%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-114.6124168.600000110.1V370 M371 L373 D611A338-V370 CarbonylContact O-C 3.32Å; A338-V370 WeakPolarHBondContact O-CA 3.32Å; A338-M371 PolarHBondContact N-O 3.41Å; A338-M371 PolarHBondContact O-N 3.44Å; A338-L373 HydrophobicContact CB-CD1 4.23Å; A338-D611 WeakPolarHBondContact CA-OD1 3.38Å; A338-D611 VanDerWaalsContact CB-OD1 3.25Å; A338-D611 WeakPolarHBondContact CB-OD1 3.32Å
339F81.3Confident64.2Low10 Ų1043.4 Ų43.44%0.04425%0.245CC..EExtended strand (participates in β ladder)trans-104.8128176.6171.5-75.7000110.5F341 A368 Y369 V370 R538 V539 F542 N609 A610F339-F341 HydrophobicContact CE1-CD2 4.22Å; F339-F341 HydrophobicContact CE1-CE1 4.14Å; F339-F341 AromaticContact CE1-CE2 3.76Å; F339-F341 HydrophobicContact CE1-CE2 3.76Å; F339-F341 AromaticContact CE1-CZ 3.73Å; F339-F341 HydrophobicContact CE1-CZ 3.73Å; F339-F341 HydrophobicContact CZ-CE1 4.06Å; F339-F341 HydrophobicContact CZ-CE2 4.46Å; F339-F341 AromaticContact CZ-CZ 3.98Å; F339-F341 HydrophobicContact CZ-CZ 3.98Å; F339-A368 HydrophobicContact CE2-CB 3.7Å; F339-A368 HydrophobicContact CZ-CB 3.65Å; F339-Y369 WeakPolarHBondContact CA-O 3.47Å; F339-V370 HydrophobicContact CB-CG2 4.4Å; F339-V370 HydrophobicContact CD2-CG2 3.66Å; F339-V370 HydrophobicContact CE2-CG2 4.47Å; F339-V370 HydrophobicContact CG-CG2 4.49Å; F339-R538 HydrophobicContact CZ-CB 4.48Å; F339-V539 HydrophobicContact CD1-CG2 4.42Å; F339-V539 HydrophobicContact CE1-CG2 3.7Å; F339-V539 HydrophobicContact CZ-CG2 4.23Å; F339-F542 HydrophobicContact CB-CD1 4.29Å; F339-F542 HydrophobicContact CB-CE1 4.02Å; F339-F542 HydrophobicContact CB-CE2 4.28Å; F339-F542 HydrophobicContact CB-CZ 4.02Å; F339-F542 HydrophobicContact CD2-CB 4.47Å; F339-F542 AromaticContact CD2-CD2 3.99Å; F339-F542 HydrophobicContact CD2-CD2 3.99Å; F339-F542 HydrophobicContact CD2-CE2 4.39Å; F339-F542 HydrophobicContact CD2-CG 4.13Å; F339-F542 HydrophobicContact CG-CG 4.47Å; F339-N609 WeakPolarHBondContact O-CB 3.42Å; F339-A610 VanDerWaalsContact CA-O 3.31Å; F339-A610 WeakPolarHBondContact CA-O 3.49Å; F339-A610 HydrophobicContact CB-CB 4.35Å; F339-A610 WeakPolarHBondContact CB-O 3.24Å; F339-A610 HydrophobicContact CD1-CB 4.02Å; F339-A610 PolarHBondContact N-O 2.99Å; F339-A610 PolarHBondContact O-N 3.24Å; F339-A610 VanDerWaalsContact O-O 3.1Å
340F81.9Confident62.2Low1 Ų153 Ų530%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-145.2154.9-179.656.2-91.3000114.5A368 Y369 M371 L393 H396 L397 N609F340-A368 CarbonylContact O-C 3.58Å; F340-A368 WeakPolarHBondContact O-CA 3.45Å; F340-Y369 HydrophobicContact CD2-CD2 4.37Å; F340-Y369 HydrophobicContact CE2-CD2 4.05Å; F340-Y369 HydrophobicContact CE2-CG 4.02Å; F340-Y369 HydrophobicContact CZ-CG 4.45Å; F340-Y369 PolarHBondContact N-O 3.05Å; F340-Y369 PolarHBondContact O-N 3.18Å; F340-M371 HydrophobicContact CE1-CB 4.02Å; F340-M371 HydrophobicContact CE1-CE 4.33Å; F340-M371 HydrophobicContact CZ-CE 4.02Å; F340-L393 HydrophobicContact CE2-CB 4.26Å; F340-L393 HydrophobicContact CE2-CD1 4.06Å; F340-L393 HydrophobicContact CE2-CD2 4.24Å; F340-L393 HydrophobicContact CE2-CG 4.4Å; F340-L393 HydrophobicContact CZ-CB 4.14Å; F340-L393 HydrophobicContact CZ-CD1 3.79Å; F340-L393 HydrophobicContact CZ-CG 4.41Å; F340-H396 HydrophobicContact CD2-CB 3.92Å; F340-H396 HydrophobicContact CE2-CB 4.08Å; F340-L397 HydrophobicContact CD1-CD2 3.92Å; F340-L397 HydrophobicContact CE1-CD2 3.85Å; F340-L397 HydrophobicContact CZ-CD2 4.49Å; F340-N609 WeakPolarHBondContact CA-OD1 3.24Å; F340-N609 HydrophobicContact CB-CB 4.17Å; F340-N609 WeakPolarHBondContact CB-ND2 3.32Å; F340-N609 WeakPolarHBondContact CB-OD1 3.47Å
341F79.3Confident60.3Low1 Ų160.3 Ų60.30%0.00432%0.322CS..  trans-89.1156.4-179.5-74-73.1000111.8F339 G367 A368 H396 Y522 L531 H535 V539 L607F339-F341 HydrophobicContact CE1-CD2 4.22Å; F339-F341 HydrophobicContact CE1-CE1 4.14Å; F339-F341 AromaticContact CE1-CE2 3.76Å; F339-F341 HydrophobicContact CE1-CE2 3.76Å; F339-F341 AromaticContact CE1-CZ 3.73Å; F339-F341 HydrophobicContact CE1-CZ 3.73Å; F339-F341 HydrophobicContact CZ-CE1 4.06Å; F339-F341 HydrophobicContact CZ-CE2 4.46Å; F339-F341 AromaticContact CZ-CZ 3.98Å; F339-F341 HydrophobicContact CZ-CZ 3.98Å; F341-G367 VanDerWaalsContact CD1-O 3.23Å; F341-G367 WeakPolarHBondContact CD1-O 3.29Å; F341-A368 HydrophobicContact CD1-CB 4.48Å; F341-H396 PolarHBondContact O-CD2 2.73Å; F341-Y522 HydrophobicContact CB-CD2 3.25Å; F341-Y522 HydrophobicContact CB-CE2 3.58Å; F341-Y522 HydrophobicContact CB-CG 4.09Å; F341-Y522 HydrophobicContact CD2-CD2 4.24Å; F341-Y522 HydrophobicContact CD2-CG 4.26Å; F341-Y522 AromaticContact CG-CD2 3.85Å; F341-Y522 HydrophobicContact CG-CD2 3.85Å; F341-Y522 HydrophobicContact CG-CE2 4.31Å; F341-Y522 HydrophobicContact CG-CG 4.21Å; F341-L531 HydrophobicContact CE2-CD1 4.35Å; F341-H535 HydrophobicContact CE1-CB 3.77Å; F341-H535 AromaticContact CE1-CD2 3.67Å; F341-H535 AromaticContact CE1-CG 3.83Å; F341-H535 HydrophobicContact CE2-CB 4.49Å; F341-H535 HydrophobicContact CZ-CB 3.65Å; F341-V539 HydrophobicContact CE2-CG2 3.66Å; F341-V539 HydrophobicContact CZ-CG2 3.54Å; F341-L607 HydrophobicContact CD2-CD2 4.33Å; F341-L607 HydrophobicContact CE2-CD2 3.72Å
342S75.6Confident58.6Low25 Ų2569.7 Ų69.718%0.17536%0.361CS..  trans-133.2161.3172.1-172.20000109.3D344 Y369S342-D344 PolarHBondContact O-N 2.93Å; S342-Y369 VanDerWaalsContact CB-CE2 3.46Å
343S69.8Low57.1Low41 Ų4175 Ų7529%0.28740%0.395SS..  trans-55.4123.9-178.7164.30000111.8A345 R529S343-A345 PolarHBondContact O-N 3.43Å; S343-A345 PolarHBondContact OG-N 3.22Å; S343-A345 VanDerWaalsContact OG-N 3.15Å; S343-R529 PolarHBondContact OG-NH1 2.8Å; S343-R529 PolarHBondContact OG-NH2 3Å
344D61.2Low55.5Low79 Ų7985.6 Ų85.642%0.42243%0.433SS..  trans-75.1-7.2171.9-71.7-33.1000113.4S342 E346 G367 H535S342-D344 PolarHBondContact O-N 2.93Å; D344-E346 PolarHBondContact O-N 3.42Å; D344-G367 VanDerWaalsContact OD1-CA 3.31Å; D344-G367 WeakPolarHBondContact OD1-CA 3.46Å; D344-H535 IonicContact OD2-CE1 2.7Å; D344-H535 PolarHBondContact OD2-CE1 3.01Å; D344-H535 IonicContact OD2-NE2 3.16Å; D344-H535 PolarHBondContact OD2-NE2 2.78Å
345A52.4Low54.1Low44 Ų4489 Ų8936%0.36446%0.456SS..  trans-76.8116.1-171.100000112.6S343 H347S343-A345 PolarHBondContact O-N 3.43Å; S343-A345 PolarHBondContact OG-N 3.22Å; S343-A345 VanDerWaalsContact OG-N 3.15Å; A345-H347 PolarHBondContact O-N 3.24Å; A345-H347 VanDerWaalsContact O-N 3.13Å
346E38.3Very low52.3Low153 Ų15396 Ų9672%0.71549%0.493SS*.  trans-64.896.9148.7-72.4177.1-178.600107.3D344 P348 K366D344-E346 PolarHBondContact O-N 3.42Å; E346-P348 WeakPolarHBondContact O-CD 3.46Å; E346-K366 IonicContact OE1-NZ 2.95Å; E346-K366 PolarHBondContact OE1-NZ 3.15Å
347H37.2Very low51Low156 Ų15696.6 Ų96.672%0.72251%0.505SS*.  trans-85.2107.9165.6-91.2-60.7000109.2A345A345-H347 PolarHBondContact O-N 3.24Å; A345-H347 VanDerWaalsContact O-N 3.13Å
348P32.7Very low49.3Very low106 Ų10699 Ų9969%0.68852%0.52SS*.  trans-71.5130.7154.232.3-29.4000106.7E346E346-P348 WeakPolarHBondContact O-CD 3.46Å
349S31.2Very low47.7Very low107 Ų107102.7 Ų102.775%0.74855%0.545SS*.  trans73.299.6170.474.30000118
350K33Very low45.9Very low201 Ų201105.4 Ų105.487%0.87457%0.57SS**SBend-167.7125.4108.9-98.3168.6-174.4179.90111.3
351Q30.6Very low43.9Very low179 Ų179108.1 Ų108.184%0.83658%0.584SS**  trans38.1100163.9-90.8161.1-19.600119.5T353Q351-T353 PolarHBondContact O-N 3.23Å
352K29Very low42Very low210 Ų210111.5 Ų111.591%0.91361%0.608SS**  trans-44.1100.4146.7-95.9175.1166.9175.50110.3
353T32.1Very low40.4Very low130 Ų130114.7 Ų114.780%0.79863%0.63SS**  trans-175.570.9148.132.80000109.5Q351Q351-T353 PolarHBondContact O-N 3.23Å
354R30.2Very low39Very low236 Ų236119.7 Ų119.789%0.89165%0.652SS**SBendtrans-174.4112.4139.8-134.8165.6167.7163.4-4.6111.7
355C36.2Very low37.9Very low95 Ų95119.4 Ų119.464%0.64265%0.653SS**  trans65.1110.2153.7-58.70000121A357C355-A357 PolarHBondContact O-N 2.79Å
356D36.5Very low37.9Very low154 Ų154124.5 Ų124.582%0.82467%0.667SS**THydrogen-bonded Turntrans-64.514.5174.9-64.9-51.3000116.6S359D356-S359 PolarHBondContact O-OG 3.3Å
357A45.6Very low39.2Very low54 Ų54117.5 Ų117.545%0.44664%0.636SS.*THydrogen-bonded Turntrans-89.9-27.3179.700000113.6C355C355-A357 PolarHBondContact O-N 2.79Å
358L41.9Very low40.8Very low97 Ų97110.7 Ų110.751%0.50861%0.607SS.*Hα-helixtrans-80.9-23.4-176.8-87.4149.1000113.7S362 I392L358-S362 PolarHBondContact O-N 2.9Å; L358-I392 HydrophobicContact CD1-CG2 4.29Å; L358-I392 HydrophobicContact CD2-CG2 4.15Å; L358-I392 HydrophobicContact CG-CG2 4.24Å
359S44.7Very low42.9Very low77 Ų77107.5 Ų107.554%0.53858%0.581SS.*Hα-helixtrans-70.4-31.6-179.556.20000112.6D356 S362D356-S359 PolarHBondContact O-OG 3.3Å; S359-S362 PolarHBondContact O-OG 3.36Å
360A44Very low45.1Very low68 Ų68105.7 Ų105.756%0.56257%0.565SS**Hα-helixtrans-71.2-39.4176.900000112.6S362 S363A360-S362 PolarHBondContact O-N 2.96Å; A360-S363 PolarHBondContact O-OG 3.38Å
361L40.2Very low47.3Very low57 Ų5796.6 Ų96.630%0.29853%0.526SS..Hα-helixtrans-69.3-30.2178.1-103.584.9000113.3S363 Y369L361-S363 PolarHBondContact O-N 3.39Å; L361-S363 VanDerWaalsContact O-N 3.14Å; L361-Y369 HydrophobicContact CD2-CE1 4.27Å
362S40.3Very low49.7Very low73 Ų7391.2 Ų91.251%0.5150%0.503SS..THydrogen-bonded Turntrans-67.2-12.8-177.272.90000115L358 S359 A360L358-S362 PolarHBondContact O-N 2.9Å; S359-S362 PolarHBondContact O-OG 3.36Å; A360-S362 PolarHBondContact O-N 2.96Å
363S40.5Very low52.2Low92 Ų9281.6 Ų81.664%0.64346%0.462SS*.THydrogen-bonded Turntrans-85.6-10.8-170.366.50000115.1A360 L361A360-S363 PolarHBondContact O-OG 3.38Å; L361-S363 PolarHBondContact O-N 3.39Å; L361-S363 VanDerWaalsContact O-N 3.14Å
364I40.4Very low54.4Low145 Ų14577.5 Ų77.574%0.74444%0.439SS*.THydrogen-bonded Turntrans-111.2-24.3-168.3-63.5178.6000115
365T39.5Very low56.5Low74 Ų7467.2 Ų67.245%0.45440%0.401SS..  trans-150.799169.9470000112.9G367 A368T365-G367 PolarHBondContact O-N 3.28Å; T365-A368 WeakPolarHBondContact CB-O 3.47Å; T365-A368 PolarHBondContact OG1-O 3.05Å
366K51.9Low58.1Low151 Ų15165.5 Ų65.566%0.65738%0.383SS*.THydrogen-bonded Turntrans-58.5110.4168.1-81-172170-169.90110.2E346 R538E346-K366 IonicContact OE1-NZ 2.95Å; E346-K366 PolarHBondContact OE1-NZ 3.15Å; K366-R538 PolarHBondContact O-NH1 2.98Å; K366-R538 PolarHBondContact O-NH2 3.45Å; K366-R538 VanDerWaalsContact O-NH2 3.16Å
367G65.4Low59.5Low5 Ų562.2 Ų62.25%0.05237%0.369CS..THydrogen-bonded Turntrans93.411.916200000118F341 D344 T365 R538F341-G367 VanDerWaalsContact CD1-O 3.23Å; F341-G367 WeakPolarHBondContact CD1-O 3.29Å; D344-G367 VanDerWaalsContact OD1-CA 3.31Å; D344-G367 WeakPolarHBondContact OD1-CA 3.46Å; T365-G367 PolarHBondContact O-N 3.28Å; G367-R538 VanDerWaalsContact C-NH1 3.26Å; G367-R538 PolarHBondContact O-NH1 3.13Å
368A71.4Confident60.4Low14 Ų1464.6 Ų64.612%0.11638%0.378CS..  trans-164.9139.416800000111.5F339 F340 F341 T365F339-A368 HydrophobicContact CE2-CB 3.7Å; F339-A368 HydrophobicContact CZ-CB 3.65Å; F340-A368 CarbonylContact O-C 3.58Å; F340-A368 WeakPolarHBondContact O-CA 3.45Å; F341-A368 HydrophobicContact CD1-CB 4.48Å; T365-A368 WeakPolarHBondContact CB-O 3.47Å; T365-A368 PolarHBondContact OG1-O 3.05Å
369Y75.9Confident61.5Low38 Ų3867.1 Ų67.115%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-115.3141.3175.4-74.4-79.8000110.7F339 F340 S342 L361F339-Y369 WeakPolarHBondContact CA-O 3.47Å; F340-Y369 HydrophobicContact CD2-CD2 4.37Å; F340-Y369 HydrophobicContact CE2-CD2 4.05Å; F340-Y369 HydrophobicContact CE2-CG 4.02Å; F340-Y369 HydrophobicContact CZ-CG 4.45Å; F340-Y369 PolarHBondContact N-O 3.05Å; F340-Y369 PolarHBondContact O-N 3.18Å; S342-Y369 VanDerWaalsContact CB-CE2 3.46Å; L361-Y369 HydrophobicContact CD2-CE1 4.27Å
370V78.7Confident62.2Low69 Ų6965 Ų6542%0.41837%0.365SS..EExtended strand (participates in β ladder)trans-121.6120.6168.7178.60000106.7K337 A338 F339 F542K337-V370 HydrophobicContact CB-CG1 4.13Å; K337-V370 HydrophobicContact CD-CG1 4.01Å; K337-V370 HydrophobicContact CG-CG1 4.47Å; A338-V370 CarbonylContact O-C 3.32Å; A338-V370 WeakPolarHBondContact O-CA 3.32Å; F339-V370 HydrophobicContact CB-CG2 4.4Å; F339-V370 HydrophobicContact CD2-CG2 3.66Å; F339-V370 HydrophobicContact CE2-CG2 4.47Å; F339-V370 HydrophobicContact CG-CG2 4.49Å; V370-F542 HydrophobicContact CG1-CE2 4.16Å; V370-F542 HydrophobicContact CG2-CD2 4.34Å; V370-F542 HydrophobicContact CG2-CE2 3.96Å
371M78.4Confident63.2Low11 Ų1164.8 Ų64.85%0.05435%0.351CS..EExtended strand (participates in β ladder)trans-108.1131.8178.2-167170.5-78.600109.5K337 A338 F340 F385 W390 L393K337-M371 CarbonylContact C-O 3.58Å; K337-M371 WeakPolarHBondContact CA-O 3.12Å; A338-M371 PolarHBondContact N-O 3.41Å; A338-M371 PolarHBondContact O-N 3.44Å; F340-M371 HydrophobicContact CE1-CB 4.02Å; F340-M371 HydrophobicContact CE1-CE 4.33Å; F340-M371 HydrophobicContact CZ-CE 4.02Å; M371-F385 HydrophobicContact CG-CD1 3.73Å; M371-F385 HydrophobicContact CG-CE1 4.28Å; M371-F385 HydrophobicContact SD-CB 4.38Å; M371-F385 HydrophobicContact SD-CD1 3.25Å; M371-F385 WeakPolarHBondContact SD-CD1 3.34Å; M371-F385 HydrophobicContact SD-CE1 3.62Å; M371-F385 HydrophobicContact SD-CG 3.97Å; M371-W390 HydrophobicContact CE-CB 3.91Å; M371-W390 HydrophobicContact SD-CB 3.73Å; M371-L393 HydrophobicContact CE-CD1 3.64Å
372D81.7Confident64.8Low65 Ų6566.9 Ų66.935%0.34836%0.358SS..EExtended strand (participates in β ladder)trans-92.5141.5-179.7-66.9-28.8000110.4E336 K337 D386E336-D372 WeakPolarHBondContact O-CA 3.49Å; K337-D372 WeakPolarHBondContact CG-OD1 3.34Å; K337-D372 IonicContact NZ-OD1 3.08Å; K337-D372 PolarHBondContact NZ-OD1 3.44Å; K337-D372 IonicContact NZ-OD2 2.97Å; D372-D386 HydrophobicContact CB-CB 4.39Å; D372-D386 WeakPolarHBondContact CB-OD2 3.33Å; D372-D386 PolarHBondContact O-N 3.18Å
373L80.2Confident66.6Low8 Ų863.8 Ų63.84%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-122.6133178.3-67.497.9000110.2V335 E336 A338 H384 F385 L444V335-L373 HydrophobicContact CG1-CD1 4.19Å; V335-L373 WeakPolarHBondContact O-CB 3.23Å; E336-L373 PolarHBondContact O-N 3.28Å; A338-L373 HydrophobicContact CB-CD1 4.23Å; L373-H384 WeakPolarHBondContact CA-O 3.34Å; L373-F385 HydrophobicContact CD1-CD1 4.2Å; L373-F385 HydrophobicContact CD1-CE1 4.02Å; L373-F385 HydrophobicContact CD2-CD1 3.89Å; L373-F385 HydrophobicContact CD2-CE1 3.68Å; L373-F385 HydrophobicContact CD2-CZ 4.09Å; L373-F385 HydrophobicContact CG-CD1 3.73Å; L373-F385 HydrophobicContact CG-CE1 3.86Å; L373-L444 HydrophobicContact CD2-CD1 3.44Å; L373-L444 VanDerWaalsContact CD2-CD1 3.44Å
374S79.1Confident68.7Low45 Ų4563.8 Ų63.832%0.31533%0.326SS..EExtended strand (participates in β ladder)trans-109.9142.2175.2-70.90000111.6V383 H384 D386S374-V383 WeakPolarHBondContact O-CA 3.36Å; S374-H384 VanDerWaalsContact CB-CE1 3.49Å; S374-H384 WeakPolarHBondContact CB-CE1 3.46Å; S374-H384 PolarHBondContact N-O 2.94Å; S374-H384 PolarHBondContact O-CE1 3.41Å; S374-H384 PolarHBondContact O-N 2.88Å; S374-H384 PolarHBondContact O-ND1 2.88Å; S374-D386 WeakPolarHBondContact CB-OD1 3.15Å; S374-D386 PolarHBondContact N-OD1 3.18Å; S374-D386 PolarHBondContact OG-OD1 2.92Å; S374-D386 PolarHBondContact OG-OD2 3.31Å
375Q73.6Confident70.8Confident20 Ų2057.5 Ų57.59%0.09329%0.293CS..EExtended strand (participates in β ladder)trans-84.1136.1174.4-170.2174.1200110.3S334 T377 P380 V383S334-Q375 PolarHBondContact OG-OE1 2.93Å; Q375-T377 PolarHBondContact O-N 3.36Å; Q375-P380 PolarHBondContact NE2-O 3.47Å; Q375-V383 HydrophobicContact CB-CG1 4.42Å
376E71.2Confident72.9Confident58 Ų5857.6 Ų57.627%0.27129%0.291SS..  trans-69.9129.6177.1-170.4170.3-16000110.5T378 R379 K382E376-T378 VanDerWaalsContact C-N 3.26Å; E376-T378 PolarHBondContact O-N 3.5Å; E376-R379 PolarHBondContact O-N 3.48Å; E376-K382 HydrophobicContact CB-CB 4.22Å; E376-K382 HydrophobicContact CB-CG 4.48Å; E376-K382 PolarHBondContact N-O 2.89Å; E376-K382 IonicContact OE1-NZ 2.77Å; E376-K382 WeakPolarHBondContact OE2-CD 3.49Å; E376-K382 WeakPolarHBondContact OE2-CE 3.48Å; E376-K382 WeakPolarHBondContact OE2-CG 3.46Å; E376-K382 IonicContact OE2-NZ 2.81Å; E376-K382 PolarHBondContact OE2-NZ 2.96Å
377T64.5Low74.4Confident86 Ų8653 Ų5353%0.52827%0.273SS..THydrogen-bonded Turntrans-63.6-29.8-17254.40000113.8Q375 P621Q375-T377 PolarHBondContact O-N 3.36Å; T377-P621 HydrophobicContact CG2-CB 4.24Å; T377-P621 HydrophobicContact CG2-CG 3.8Å
378T64.2Low75.2Confident103 Ų10357.4 Ų57.463%0.63230%0.301SS*.THydrogen-bonded Turntrans-90.8-15.1-175.561.50000113.6E376E376-T378 VanDerWaalsContact C-N 3.26Å; E376-T378 PolarHBondContact O-N 3.5Å
379R66.1Low75.7Confident151 Ų15160.9 Ų60.957%0.5732%0.318SS*.  trans-132.7114.7-172.9-69.6-173.4-177.9-171.13.8111.5E376 F381 K382E376-R379 PolarHBondContact O-N 3.48Å; R379-F381 PolarHBondContact O-N 2.93Å; R379-K382 HydrophobicContact CB-CB 3.98Å; R379-K382 PolarHBondContact O-N 3.49Å
380P59.2Low76.1Confident31 Ų3160.1 Ų60.120%0.20131%0.314CS..THydrogen-bonded Turntrans-58.9-17.5-173.516.2-29.2000116W330 Q375 M797W330-P380 HydrophobicContact CD2-CB 4.09Å; W330-P380 HydrophobicContact CE3-CB 3.51Å; W330-P380 HydrophobicContact CH2-CB 4.24Å; W330-P380 HydrophobicContact CZ3-CB 3.6Å; W330-P380 HydrophobicContact CZ3-CG 4.15Å; Q375-P380 PolarHBondContact NE2-O 3.47Å; P380-M797 HydrophobicContact CG-CE 4.4Å
381F65.4Low76.3Confident65 Ų6561.7 Ų61.729%0.28532%0.317SS..THydrogen-bonded Turntrans-126.510.8-172.8-51.3-65.5000113.7D332 R379 P443 S800D332-F381 HydrophobicContact CB-CE1 3.93Å; D332-F381 VanDerWaalsContact OD2-CE1 3.27Å; D332-F381 WeakPolarHBondContact OD2-CE1 3.28Å; R379-F381 PolarHBondContact O-N 2.93Å; F381-P443 WeakPolarHBondContact O-CB 3.3Å; F381-S800 WeakPolarHBondContact CE2-OG 3.49Å; F381-S800 WeakPolarHBondContact CZ-OG 3.43Å
382K74.3Confident76.5Confident100 Ų10064.9 Ų64.944%0.43533%0.333SS..  trans-104121.8179.9-171.8149.2164.6-98.80109.7E376 R379E376-K382 HydrophobicContact CB-CB 4.22Å; E376-K382 HydrophobicContact CB-CG 4.48Å; E376-K382 PolarHBondContact N-O 2.89Å; E376-K382 IonicContact OE1-NZ 2.77Å; E376-K382 WeakPolarHBondContact OE2-CD 3.49Å; E376-K382 WeakPolarHBondContact OE2-CE 3.48Å; E376-K382 WeakPolarHBondContact OE2-CG 3.46Å; E376-K382 IonicContact OE2-NZ 2.81Å; E376-K382 PolarHBondContact OE2-NZ 2.96Å; R379-K382 HydrophobicContact CB-CB 3.98Å; R379-K382 PolarHBondContact O-N 3.49Å
383V77.3Confident76.4Confident8 Ų862.3 Ų62.35%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-112.6151.4176.4-107.20000109.1S374 Q375 P443 A447S374-V383 WeakPolarHBondContact O-CA 3.36Å; Q375-V383 HydrophobicContact CB-CG1 4.42Å; V383-P443 HydrophobicContact CG2-CB 3.44Å; V383-P443 VanDerWaalsContact CG2-CB 3.44Å; V383-P443 WeakPolarHBondContact CG2-O 3.44Å; V383-A447 HydrophobicContact CG2-CB 4.5Å; V383-A447 VanDerWaalsContact O-CB 3.27Å; V383-A447 WeakPolarHBondContact O-CB 3.48Å
384H84.5Confident76.5Confident92 Ų9264.2 Ų64.243%0.42633%0.33SS..EExtended strand (participates in β ladder)trans-136.1150.617459.5-72.9000109.7L373 S374L373-H384 WeakPolarHBondContact CA-O 3.34Å; S374-H384 VanDerWaalsContact CB-CE1 3.49Å; S374-H384 WeakPolarHBondContact CB-CE1 3.46Å; S374-H384 PolarHBondContact N-O 2.94Å; S374-H384 PolarHBondContact O-CE1 3.41Å; S374-H384 PolarHBondContact O-N 2.88Å; S374-H384 PolarHBondContact O-ND1 2.88Å
385F84.6Confident76.6Confident14 Ų1464.2 Ų64.26%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-74.6135.4171.9-68-76.3000109.7M371 L373 D387 W390 L397 L444 A447 M448M371-F385 HydrophobicContact CG-CD1 3.73Å; M371-F385 HydrophobicContact CG-CE1 4.28Å; M371-F385 HydrophobicContact SD-CB 4.38Å; M371-F385 HydrophobicContact SD-CD1 3.25Å; M371-F385 WeakPolarHBondContact SD-CD1 3.34Å; M371-F385 HydrophobicContact SD-CE1 3.62Å; M371-F385 HydrophobicContact SD-CG 3.97Å; L373-F385 HydrophobicContact CD1-CD1 4.2Å; L373-F385 HydrophobicContact CD1-CE1 4.02Å; L373-F385 HydrophobicContact CD2-CD1 3.89Å; L373-F385 HydrophobicContact CD2-CE1 3.68Å; L373-F385 HydrophobicContact CD2-CZ 4.09Å; L373-F385 HydrophobicContact CG-CD1 3.73Å; L373-F385 HydrophobicContact CG-CE1 3.86Å; F385-D387 VanDerWaalsContact C-N 3.33Å; F385-W390 HydrophobicContact CB-CB 3.93Å; F385-W390 HydrophobicContact CB-CD2 4.46Å; F385-W390 HydrophobicContact CB-CG 3.76Å; F385-W390 HydrophobicContact CD2-CB 4.3Å; F385-W390 AromaticContact CD2-CD2 3.55Å; F385-W390 HydrophobicContact CD2-CD2 3.55Å; F385-W390 AromaticContact CD2-CE2 3.82Å; F385-W390 AromaticContact CD2-CE3 3.89Å; F385-W390 HydrophobicContact CD2-CE3 3.89Å; F385-W390 AromaticContact CD2-CG 3.75Å; F385-W390 HydrophobicContact CD2-CG 3.75Å; F385-W390 HydrophobicContact CD2-CZ2 4.38Å; F385-W390 HydrophobicContact CD2-CZ3 4.44Å; F385-W390 HydrophobicContact CE2-CD2 4.08Å; F385-W390 AromaticContact CE2-CE3 3.92Å; F385-W390 HydrophobicContact CE2-CE3 3.92Å; F385-W390 HydrophobicContact CE2-CZ3 4.19Å; F385-W390 HydrophobicContact CG-CB 4.03Å; F385-W390 HydrophobicContact CG-CD2 4.18Å; F385-W390 AromaticContact CG-CG 3.88Å; F385-W390 HydrophobicContact CG-CG 3.88Å; F385-L397 HydrophobicContact CE1-CD1 4.35Å; F385-L397 HydrophobicContact CZ-CD1 4.02Å; F385-L444 HydrophobicContact CE1-CD1 4.34Å; F385-L444 HydrophobicContact CZ-CD1 3.92Å; F385-A447 HydrophobicContact CE2-CB 4.33Å; F385-M448 HydrophobicContact CE2-CG 3.73Å; F385-M448 HydrophobicContact CZ-CG 3.73Å
386D84.4Confident77Confident76 Ų7664.3 Ų64.341%0.40633%0.33SS..SBendtrans-71.8-30.8179.3-68.9-12.8000111.7D372 S374 P388D372-D386 HydrophobicContact CB-CB 4.39Å; D372-D386 WeakPolarHBondContact CB-OD2 3.33Å; D372-D386 PolarHBondContact O-N 3.18Å; S374-D386 WeakPolarHBondContact CB-OD1 3.15Å; S374-D386 PolarHBondContact N-OD1 3.18Å; S374-D386 PolarHBondContact OG-OD1 2.92Å; S374-D386 PolarHBondContact OG-OD2 3.31Å; D386-P388 WeakPolarHBondContact O-CD 3.29Å
387D83.4Confident77.4Confident54 Ų5461.6 Ų61.629%0.28932%0.317SS..SBendtrans-81.3117.5176.5-171.8-19.7000110.7F385 N389 W390F385-D387 VanDerWaalsContact C-N 3.33Å; D387-N389 PolarHBondContact O-N 2.99Å; D387-N389 WeakPolarHBondContact OD1-CB 3.46Å; D387-N389 PolarHBondContact OD1-N 3.02Å; D387-W390 WeakPolarHBondContact O-CB 3.24Å; D387-W390 VanDerWaalsContact O-CD1 3.22Å; D387-W390 PolarHBondContact O-N 2.91Å
388P81.3Confident78.3Confident98 Ų9864.7 Ų64.764%0.63632%0.32SS*.THydrogen-bonded Turntrans-64.5-18.7178.727.2-35.4000113.9D386 H391D386-P388 WeakPolarHBondContact O-CD 3.29Å; P388-H391 PolarHBondContact O-CD2 3.1Å
389N82.4Confident79Confident87 Ų8761 Ų6147%0.46530%0.297SS..THydrogen-bonded Turntrans-95.111.2-178.9-63.2-47.6000113.5D387 H391 I392D387-N389 PolarHBondContact O-N 2.99Å; D387-N389 WeakPolarHBondContact OD1-CB 3.46Å; D387-N389 PolarHBondContact OD1-N 3.02Å; N389-H391 PolarHBondContact O-N 3.43Å; N389-I392 HydrophobicContact CB-CD1 4.07Å; N389-I392 WeakPolarHBondContact O-CG1 3.3Å; N389-I392 PolarHBondContact O-N 2.77Å
390W83.1Confident79.6Confident21 Ų2153.8 Ų53.88%0.0827%0.27CS..G310 helixtrans-52.8-29.6-177.772.1-93.8000113.7M371 F385 D387 I392 L393 L394 Q449M371-W390 HydrophobicContact CE-CB 3.91Å; M371-W390 HydrophobicContact SD-CB 3.73Å; F385-W390 HydrophobicContact CB-CB 3.93Å; F385-W390 HydrophobicContact CB-CD2 4.46Å; F385-W390 HydrophobicContact CB-CG 3.76Å; F385-W390 HydrophobicContact CD2-CB 4.3Å; F385-W390 AromaticContact CD2-CD2 3.55Å; F385-W390 HydrophobicContact CD2-CD2 3.55Å; F385-W390 AromaticContact CD2-CE2 3.82Å; F385-W390 AromaticContact CD2-CE3 3.89Å; F385-W390 HydrophobicContact CD2-CE3 3.89Å; F385-W390 AromaticContact CD2-CG 3.75Å; F385-W390 HydrophobicContact CD2-CG 3.75Å; F385-W390 HydrophobicContact CD2-CZ2 4.38Å; F385-W390 HydrophobicContact CD2-CZ3 4.44Å; F385-W390 HydrophobicContact CE2-CD2 4.08Å; F385-W390 AromaticContact CE2-CE3 3.92Å; F385-W390 HydrophobicContact CE2-CE3 3.92Å; F385-W390 HydrophobicContact CE2-CZ3 4.19Å; F385-W390 HydrophobicContact CG-CB 4.03Å; F385-W390 HydrophobicContact CG-CD2 4.18Å; F385-W390 AromaticContact CG-CG 3.88Å; F385-W390 HydrophobicContact CG-CG 3.88Å; D387-W390 WeakPolarHBondContact O-CB 3.24Å; D387-W390 VanDerWaalsContact O-CD1 3.22Å; D387-W390 PolarHBondContact O-N 2.91Å; W390-I392 PolarHBondContact O-N 2.99Å; W390-I392 VanDerWaalsContact O-N 3.12Å; W390-L393 WeakPolarHBondContact O-CA 3.22Å; W390-L393 PolarHBondContact O-N 3.29Å; W390-L394 HydrophobicContact CZ3-CD1 3.84Å; W390-Q449 HydrophobicContact CH2-CG 4.49Å
391H83.5Confident80.6Confident103 Ų10352.3 Ų52.348%0.47726%0.26SS..G310 helixtrans-55-30.2178.9-51.5-70.7000113.6P388 N389 L393 L394P388-H391 PolarHBondContact O-CD2 3.1Å; N389-H391 PolarHBondContact O-N 3.43Å; H391-L393 PolarHBondContact O-N 2.94Å; H391-L394 VanDerWaalsContact O-CB 3.24Å; H391-L394 WeakPolarHBondContact O-CB 3.34Å; H391-L394 PolarHBondContact O-N 3.4Å
392I81.9Confident81.5Confident77 Ų7751.4 Ų51.440%0.39526%0.258SS..G310 helixtrans-65.2-30.9178.2-56.3174.4000110.4L358 N389 W390 L394L358-I392 HydrophobicContact CD1-CG2 4.29Å; L358-I392 HydrophobicContact CD2-CG2 4.15Å; L358-I392 HydrophobicContact CG-CG2 4.24Å; N389-I392 HydrophobicContact CB-CD1 4.07Å; N389-I392 WeakPolarHBondContact O-CG1 3.3Å; N389-I392 PolarHBondContact O-N 2.77Å; W390-I392 PolarHBondContact O-N 2.99Å; W390-I392 VanDerWaalsContact O-N 3.12Å; I392-L394 VanDerWaalsContact C-N 3.35Å
393L79.8Confident82Confident11 Ų1146.6 Ų46.66%0.05824%0.237CC..G310 helixtrans-949.3-177.7-60.9167.6000112.3F340 M371 W390 H391 S395 H396 L397F340-L393 HydrophobicContact CE2-CB 4.26Å; F340-L393 HydrophobicContact CE2-CD1 4.06Å; F340-L393 HydrophobicContact CE2-CD2 4.24Å; F340-L393 HydrophobicContact CE2-CG 4.4Å; F340-L393 HydrophobicContact CZ-CB 4.14Å; F340-L393 HydrophobicContact CZ-CD1 3.79Å; F340-L393 HydrophobicContact CZ-CG 4.41Å; M371-L393 HydrophobicContact CE-CD1 3.64Å; W390-L393 WeakPolarHBondContact O-CA 3.22Å; W390-L393 PolarHBondContact O-N 3.29Å; H391-L393 PolarHBondContact O-N 2.94Å; L393-S395 PolarHBondContact O-N 3.31Å; L393-S395 VanDerWaalsContact O-N 3.14Å; L393-H396 WeakPolarHBondContact O-CB 3.46Å; L393-H396 PolarHBondContact O-N 3.02Å; L393-L397 PolarHBondContact O-N 3.39Å
394L82.3Confident82.2Confident49 Ų4946.2 Ų46.226%0.25724%0.235SC..Hα-helixtrans-56-33.9179.6-17570.9000112.5W390 H391 I392 H396 L397 R398W390-L394 HydrophobicContact CZ3-CD1 3.84Å; H391-L394 VanDerWaalsContact O-CB 3.24Å; H391-L394 WeakPolarHBondContact O-CB 3.34Å; H391-L394 PolarHBondContact O-N 3.4Å; I392-L394 VanDerWaalsContact C-N 3.35Å; L394-H396 VanDerWaalsContact C-N 3.28Å; L394-H396 PolarHBondContact O-N 3.31Å; L394-L397 PolarHBondContact O-N 3.05Å; L394-R398 WeakPolarHBondContact O-CG 3.28Å; L394-R398 PolarHBondContact O-N 3.45Å
395S81.9Confident82.2Confident45 Ų4542.3 Ų42.332%0.31522%0.217SC..Hα-helixtrans-63.8-32.4175.962.40000113.1L393 W523 G525L393-S395 PolarHBondContact O-N 3.31Å; L393-S395 VanDerWaalsContact O-N 3.14Å; S395-W523 PolarHBondContact O-NE1 2.88Å; S395-G525 VanDerWaalsContact CB-O 3.29Å; S395-G525 WeakPolarHBondContact CB-O 3.45Å; S395-G525 PolarHBondContact OG-O 2.96Å
396H82.4Confident82.2Confident22 Ų2242 Ų4210%0.10222%0.216CC..Hα-helixtrans-75.1-33.7176.8-59.560.6000111F340 F341 L393 L394 D524 N609F340-H396 HydrophobicContact CD2-CB 3.92Å; F340-H396 HydrophobicContact CE2-CB 4.08Å; F341-H396 PolarHBondContact O-CD2 2.73Å; L393-H396 WeakPolarHBondContact O-CB 3.46Å; L393-H396 PolarHBondContact O-N 3.02Å; L394-H396 VanDerWaalsContact C-N 3.28Å; L394-H396 PolarHBondContact O-N 3.31Å; H396-D524 PolarHBondContact CD2-O 3.28Å; H396-D524 PolarHBondContact NE2-O 3.19Å; H396-N609 PolarHBondContact O-ND2 3.01Å
397L79.8Confident82.1Confident0 Ų038.6 Ų38.60%020%0.198CC..Hα-helixtrans-86.9-21.9-176.8-58.6171.7000112.9F340 F385 L393 L394 L400 G401 M448F340-L397 HydrophobicContact CD1-CD2 3.92Å; F340-L397 HydrophobicContact CE1-CD2 3.85Å; F340-L397 HydrophobicContact CZ-CD2 4.49Å; F385-L397 HydrophobicContact CE1-CD1 4.35Å; F385-L397 HydrophobicContact CZ-CD1 4.02Å; L393-L397 PolarHBondContact O-N 3.39Å; L394-L397 PolarHBondContact O-N 3.05Å; L397-L400 HydrophobicContact CD2-CD2 4.08Å; L397-L400 WeakPolarHBondContact O-CA 3.44Å; L397-L400 WeakPolarHBondContact O-CB 3.27Å; L397-L400 PolarHBondContact O-N 3.42Å; L397-G401 PolarHBondContact O-N 3.18Å; L397-M448 HydrophobicContact CB-CE 3.29Å; L397-M448 HydrophobicContact CB-SD 4.28Å; L397-M448 HydrophobicContact CG-CE 4.47Å; L397-M448 VanDerWaalsContact O-CE 3.29Å; L397-M448 WeakPolarHBondContact O-CE 3.26Å
398R81.9Confident81.9Confident152 Ų15236.7 Ų36.757%0.57419%0.189SC*.Hα-helixtrans-48.1-48.1-177.1-92.8-179.4-173.61772.1114.9L394 L400 G401 L402L394-R398 WeakPolarHBondContact O-CG 3.28Å; L394-R398 PolarHBondContact O-N 3.45Å; R398-L400 VanDerWaalsContact C-N 3.31Å; R398-L400 PolarHBondContact O-N 3.38Å; R398-G401 PolarHBondContact O-N 2.95Å; R398-L402 PolarHBondContact O-N 3.45Å
399P79.1Confident81.7Confident24 Ų2433 Ų3316%0.15617%0.165CC..Hα-helixtrans-64-35.4177.3-23.335.8000113.2N403 W523 T608P399-N403 VanDerWaalsContact O-CB 3.28Å; P399-N403 WeakPolarHBondContact O-CB 3.46Å; P399-N403 PolarHBondContact O-N 3.14Å; P399-W523 HydrophobicContact CG-CD2 4.29Å; P399-W523 HydrophobicContact CG-CG 4.07Å; P399-T608 HydrophobicContact CB-CG2 3.48Å; P399-T608 VanDerWaalsContact CB-CG2 3.48Å; P399-T608 HydrophobicContact CG-CG2 4.38Å
400L78.7Confident81.5Confident1 Ų134.1 Ų34.11%0.00517%0.171CC..Hα-helixtrans-60.6-49172.8-173.892.2000110.4L397 R398 N403 A404 L444 M448 L555 N609 D611L397-L400 HydrophobicContact CD2-CD2 4.08Å; L397-L400 WeakPolarHBondContact O-CA 3.44Å; L397-L400 WeakPolarHBondContact O-CB 3.27Å; L397-L400 PolarHBondContact O-N 3.42Å; R398-L400 VanDerWaalsContact C-N 3.31Å; R398-L400 PolarHBondContact O-N 3.38Å; L400-N403 PolarHBondContact O-N 3.07Å; L400-A404 VanDerWaalsContact O-CB 3.29Å; L400-A404 WeakPolarHBondContact O-CB 3.44Å; L400-A404 PolarHBondContact O-N 2.88Å; L400-L444 HydrophobicContact CD2-CD2 3.83Å; L400-L444 HydrophobicContact CG-CD2 4.46Å; L400-M448 HydrophobicContact CD2-SD 4.46Å; L400-L555 HydrophobicContact CD1-CB 4.42Å; L400-L555 HydrophobicContact CD1-CD1 3.28Å; L400-L555 HydrophobicContact CD1-CG 4.03Å; L400-L555 HydrophobicContact CG-CD1 3.85Å; L400-N609 HydrophobicContact CD1-CB 3.7Å; L400-D611 HydrophobicContact CD1-CB 4.17Å
401G80.5Confident81.5Confident0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-67.5-35.5-179.100000113.9L397 R398 L405L397-G401 PolarHBondContact O-N 3.18Å; R398-G401 PolarHBondContact O-N 2.95Å; G401-L405 WeakPolarHBondContact O-CB 3.25Å; G401-L405 PolarHBondContact O-N 3.45Å
402L83.8Confident81.4Confident45 Ų4530.3 Ų30.324%0.23615%0.154CC..Hα-helixtrans-70.2-42.3174.6-172.565.4000111.6R398 L405 L406 F458 M507R398-L402 PolarHBondContact O-N 3.45Å; L402-L405 WeakPolarHBondContact O-CB 3.44Å; L402-L405 PolarHBondContact O-N 2.91Å; L402-L406 HydrophobicContact CD1-CD1 4.32Å; L402-L406 HydrophobicContact CD1-CG 4.49Å; L402-L406 HydrophobicContact CG-CD1 4.12Å; L402-L406 WeakPolarHBondContact O-CG 3.48Å; L402-L406 PolarHBondContact O-N 3.35Å; L402-F458 HydrophobicContact CD1-CE2 4.13Å; L402-F458 HydrophobicContact CD1-CZ 4.46Å; L402-F458 HydrophobicContact CD2-CZ 4.45Å; L402-M507 HydrophobicContact CD2-CE 3.63Å; L402-M507 HydrophobicContact CG-CE 3.99Å
403N86Confident81.4Confident0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-61.8-45.5174.2-173.6-37.6000110.5P399 L400 L405 L406 N407 M507 C508 Q509 L555 S556P399-N403 VanDerWaalsContact O-CB 3.28Å; P399-N403 WeakPolarHBondContact O-CB 3.46Å; P399-N403 PolarHBondContact O-N 3.14Å; L400-N403 PolarHBondContact O-N 3.07Å; N403-L405 PolarHBondContact O-N 3.16Å; N403-L406 PolarHBondContact O-N 3.15Å; N403-N407 VanDerWaalsContact O-CB 3.31Å; N403-N407 WeakPolarHBondContact O-CB 3.47Å; N403-N407 PolarHBondContact O-N 3.04Å; N403-N407 PolarHBondContact OD1-ND2 2.87Å; N403-M507 HydrophobicContact CB-CB 4.4Å; N403-M507 HydrophobicContact CB-SD 3.87Å; N403-C508 PolarHBondContact ND2-N 2.75Å; N403-C508 PolarHBondContact ND2-O 3.18Å; N403-Q509 VanDerWaalsContact OD1-CG 3.23Å; N403-Q509 WeakPolarHBondContact OD1-CG 3.5Å; N403-Q509 PolarHBondContact OD1-NE2 3.19Å; N403-L555 HydrophobicContact CB-CD1 4.35Å; N403-S556 PolarHBondContact ND2-O 2.97Å
404A80.9Confident81.7Confident0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-56.5-35.3173.600000113.7L400 L441L400-A404 VanDerWaalsContact O-CB 3.29Å; L400-A404 WeakPolarHBondContact O-CB 3.44Å; L400-A404 PolarHBondContact O-N 2.88Å; A404-L441 HydrophobicContact CB-CB 3.41Å; A404-L441 VanDerWaalsContact CB-CB 3.41Å; A404-L441 HydrophobicContact CB-CD1 3.9Å; A404-L441 HydrophobicContact CB-CG 4.31Å
405L83.9Confident81.7Confident9 Ų929.5 Ų29.55%0.04715%0.151CC..Hα-helixtrans-76-44.4179.8-176.367.9000112.7G401 L402 N403 S408 M445 R452 A454 I455G401-L405 WeakPolarHBondContact O-CB 3.25Å; G401-L405 PolarHBondContact O-N 3.45Å; L402-L405 WeakPolarHBondContact O-CB 3.44Å; L402-L405 PolarHBondContact O-N 2.91Å; N403-L405 PolarHBondContact O-N 3.16Å; L405-S408 WeakPolarHBondContact O-CB 3.38Å; L405-S408 PolarHBondContact O-N 3.32Å; L405-S408 PolarHBondContact O-OG 3.46Å; L405-M445 HydrophobicContact CB-CG 4.26Å; L405-M445 HydrophobicContact CD1-CE 4.12Å; L405-M445 HydrophobicContact CD1-CG 4.29Å; L405-M445 HydrophobicContact CD1-SD 4.26Å; L405-R452 HydrophobicContact CD1-CG 4.35Å; L405-A454 HydrophobicContact CD2-CB 3.77Å; L405-I455 HydrophobicContact CD1-CD1 3.63Å; L405-I455 HydrophobicContact CD1-CG1 3.79Å; L405-I455 HydrophobicContact CD2-CG1 3.74Å; L405-I455 HydrophobicContact CG-CD1 3.82Å; L405-I455 HydrophobicContact CG-CG1 3.48Å; L405-I455 VanDerWaalsContact CG-CG1 3.48Å
406L84.5Confident81.9Confident8 Ų827.9 Ų27.94%0.04214%0.139CC..Hα-helixtrans-75.9-31-178.6-66.8174.8000112.3L402 N403 S408 F458 N496 M507L402-L406 HydrophobicContact CD1-CD1 4.32Å; L402-L406 HydrophobicContact CD1-CG 4.49Å; L402-L406 HydrophobicContact CG-CD1 4.12Å; L402-L406 WeakPolarHBondContact O-CG 3.48Å; L402-L406 PolarHBondContact O-N 3.35Å; N403-L406 PolarHBondContact O-N 3.15Å; L406-S408 VanDerWaalsContact C-N 3.28Å; L406-S408 PolarHBondContact O-N 3.32Å; L406-F458 HydrophobicContact CD1-CD2 4.37Å; L406-F458 HydrophobicContact CD1-CE1 4.41Å; L406-F458 HydrophobicContact CD1-CE2 4.1Å; L406-F458 HydrophobicContact CD1-CZ 4.12Å; L406-F458 HydrophobicContact CD2-CB 4.49Å; L406-F458 HydrophobicContact CD2-CD2 3.69Å; L406-F458 HydrophobicContact CD2-CE2 4.1Å; L406-F458 HydrophobicContact CD2-CG 4.1Å; L406-N496 HydrophobicContact CD1-CB 4.39Å; L406-M507 HydrophobicContact CB-CG 4.46Å; L406-M507 HydrophobicContact CD1-CE 4.15Å; L406-M507 HydrophobicContact CD1-CG 3.85Å
407N82.9Confident82.2Confident5 Ų530.1 Ų30.13%0.02715%0.15CC..THydrogen-bonded Turntrans-94.237.5170-72.9-58.2000112.1N403 F492 T494 M507 Q509N403-N407 VanDerWaalsContact O-CB 3.31Å; N403-N407 WeakPolarHBondContact O-CB 3.47Å; N403-N407 PolarHBondContact O-N 3.04Å; N403-N407 PolarHBondContact OD1-ND2 2.87Å; N407-F492 WeakPolarHBondContact OD1-CE1 3.35Å; N407-T494 PolarHBondContact ND2-OG1 3.45Å; N407-T494 WeakPolarHBondContact OD1-CG2 3.31Å; N407-T494 PolarHBondContact OD1-OG1 2.92Å; N407-M507 PolarHBondContact ND2-O 3.3Å; N407-Q509 VanDerWaalsContact CB-CD 3.49Å; N407-Q509 HydrophobicContact CB-CG 4.03Å; N407-Q509 VanDerWaalsContact CB-NE2 3.28Å; N407-Q509 WeakPolarHBondContact ND2-CG 3.41Å
408S79.2Confident82.6Confident14 Ų1430.1 Ų30.110%0.09815%0.15CC..SBendtrans-79-177.3-176.461.90000113.4L405 L406 L410 L411L405-S408 WeakPolarHBondContact O-CB 3.38Å; L405-S408 PolarHBondContact O-N 3.32Å; L405-S408 PolarHBondContact O-OG 3.46Å; L406-S408 VanDerWaalsContact C-N 3.28Å; L406-S408 PolarHBondContact O-N 3.32Å; S408-L410 PolarHBondContact O-N 3.42Å; S408-L411 PolarHBondContact O-N 3.07Å
409C77.4Confident82.8Confident19 Ų1923.5 Ų23.513%0.12813%0.126CC..G310 helixtrans-63.8-1.9178.261.80000114.6L411 Q412 C440 C442C409-L411 PolarHBondContact O-N 3.01Å; C409-Q412 WeakPolarHBondContact O-CB 3.43Å; C409-C440 HydrophobicContact CB-CB 4.01Å; C409-C440 PolarHBondContact N-SG 3.41Å; C409-C442 VanDerWaalsContact SG-SG 3.66Å
410L78.5Confident83.3Confident112 Ų11222.5 Ų22.559%0.58612%0.119SC*.G310 helixtrans-65.7-28.2171.6-66.2171.9000112.1S408 I455S408-L410 PolarHBondContact O-N 3.42Å; L410-I455 HydrophobicContact CD1-CD1 4Å
411L83.2Confident83.7Confident12 Ų1222.6 Ų22.66%0.06312%0.119CC..G310 helixtrans-99.127.6-179.6-62.4168.8000112.6S408 C409 S413 E414 Y415 P462 V464 F492 T494S408-L411 PolarHBondContact O-N 3.07Å; C409-L411 PolarHBondContact O-N 3.01Å; L411-S413 VanDerWaalsContact C-N 3.28Å; L411-S413 PolarHBondContact O-N 3.01Å; L411-E414 WeakPolarHBondContact CA-OE2 3.29Å; L411-Y415 VanDerWaalsContact O-CB 3.26Å; L411-Y415 WeakPolarHBondContact O-CB 3.23Å; L411-Y415 PolarHBondContact O-N 3.15Å; L411-Y415 VanDerWaalsContact O-N 3.12Å; L411-P462 HydrophobicContact CD1-CG 4.05Å; L411-P462 HydrophobicContact CD2-CG 3.92Å; L411-V464 HydrophobicContact CD2-CG2 4.26Å; L411-F492 HydrophobicContact CB-CZ 4.49Å; L411-F492 HydrophobicContact CD1-CE1 4.38Å; L411-T494 HydrophobicContact CD1-CG2 3.39Å
412Q80Confident84.1Confident31 Ų3122.6 Ų22.615%0.14512%0.119CC..Hα-helixtrans-64.8-32.6-174.4-171.271.61800112H132 C409 C416H132-Q412 HydrophobicContact CB-CB 4.44Å; H132-Q412 HydrophobicContact CB-CG 3.73Å; H132-Q412 VanDerWaalsContact O-CG 3.26Å; H132-Q412 WeakPolarHBondContact O-CG 3.41Å; H132-Q412 PolarHBondContact O-NE2 3.45Å; C409-Q412 WeakPolarHBondContact O-CB 3.43Å; Q412-C416 VanDerWaalsContact O-CB 3.25Å; Q412-C416 WeakPolarHBondContact O-CB 3.4Å; Q412-C416 PolarHBondContact O-N 3.46Å
413S83.1Confident84.2Confident38 Ų3822.9 Ų22.927%0.26612%0.117SC..Hα-helixtrans-63.8-57.7177.4280000112L411 Y415 C416 H417L411-S413 VanDerWaalsContact C-N 3.28Å; L411-S413 PolarHBondContact O-N 3.01Å; S413-Y415 PolarHBondContact O-N 3.37Å; S413-C416 WeakPolarHBondContact O-CB 3.36Å; S413-C416 PolarHBondContact O-N 3.29Å; S413-C416 VanDerWaalsContact O-N 3.08Å; S413-H417 PolarHBondContact O-CD2 2.87Å; S413-H417 PolarHBondContact O-N 3.08Å; S413-H417 VanDerWaalsContact O-N 3.1Å
414E85.8Confident84.3Confident73 Ų7323.1 Ų23.134%0.34112%0.119SC..Hα-helixtrans-57.2-40.2-179.5-64.281.917300109.8L411 F418 V464L411-E414 WeakPolarHBondContact CA-OE2 3.29Å; E414-F418 PolarHBondContact O-N 3Å; E414-F418 VanDerWaalsContact O-N 3.09Å; E414-V464 HydrophobicContact CG-CG2 4.43Å
415Y83.3Confident84.5Confident10 Ų1023.2 Ų23.24%0.03912%0.119CC..Hα-helixtrans-70.3-40.3178-173.5-100000113.6L411 S413 H417 F418 L419 R438 F492L411-Y415 VanDerWaalsContact O-CB 3.26Å; L411-Y415 WeakPolarHBondContact O-CB 3.23Å; L411-Y415 PolarHBondContact O-N 3.15Å; L411-Y415 VanDerWaalsContact O-N 3.12Å; S413-Y415 PolarHBondContact O-N 3.37Å; Y415-H417 VanDerWaalsContact C-N 3.32Å; Y415-H417 PolarHBondContact O-N 3.47Å; Y415-F418 HydrophobicContact CD2-CD1 4.48Å; Y415-F418 HydrophobicContact CE2-CD1 4.2Å; Y415-F418 PolarHBondContact O-N 2.72Å; Y415-L419 HydrophobicContact CD1-CD1 4.17Å; Y415-L419 HydrophobicContact CD1-CG 4.22Å; Y415-L419 HydrophobicContact CE1-CD1 3.21Å; Y415-L419 HydrophobicContact CE1-CD2 4.08Å; Y415-L419 HydrophobicContact CE1-CG 3.35Å; Y415-L419 HydrophobicContact CE2-CD2 4.37Å; Y415-L419 HydrophobicContact CE2-CG 4.23Å; Y415-L419 PolarHBondContact O-N 2.72Å; Y415-L419 WeakPolarHBondContact OH-CD2 3.16Å; Y415-L419 VanDerWaalsContact OH-CG 3.28Å; Y415-L419 WeakPolarHBondContact OH-CG 3.36Å; Y415-R438 HydrophobicContact CD1-CB 4.13Å; Y415-R438 HydrophobicContact CE1-CB 3.23Å; Y415-R438 HydrophobicContact CE1-CG 4.14Å; Y415-R438 HydrophobicContact CE2-CB 3.9Å; Y415-R438 HydrophobicContact CE2-CG 4.19Å; Y415-R438 WeakPolarHBondContact OH-CB 3.24Å; Y415-R438 PolarHBondContact OH-N 3.44Å; Y415-F492 AromaticContact CD2-CD2 3.79Å; Y415-F492 HydrophobicContact CD2-CD2 3.79Å; Y415-F492 AromaticContact CD2-CE2 3.94Å; Y415-F492 HydrophobicContact CD2-CE2 3.94Å; Y415-F492 HydrophobicContact CD2-CG 4.38Å; Y415-F492 HydrophobicContact CE2-CD2 4.41Å
416C85.6Confident84.4Confident11 Ų1123 Ų237%0.07412%0.118CC..Hα-helixtrans-58.9-44.8175.6-171.40000111H132 Q412 S413 F418 L419 D420H132-C416 HydrophobicContact CB-CB 4.34Å; Q412-C416 VanDerWaalsContact O-CB 3.25Å; Q412-C416 WeakPolarHBondContact O-CB 3.4Å; Q412-C416 PolarHBondContact O-N 3.46Å; S413-C416 WeakPolarHBondContact O-CB 3.36Å; S413-C416 PolarHBondContact O-N 3.29Å; S413-C416 VanDerWaalsContact O-N 3.08Å; C416-F418 PolarHBondContact O-N 2.7Å; C416-L419 PolarHBondContact O-N 2.79Å; C416-D420 PolarHBondContact O-N 2.72Å
417H87.6Confident84.2Confident68 Ų6826.2 Ų26.232%0.31515%0.146SC..Hα-helixtrans-62.9-41.1175.7-70.9-64.1000112.7S413 Y415 L419 D420 H421S413-H417 PolarHBondContact O-CD2 2.87Å; S413-H417 PolarHBondContact O-N 3.08Å; S413-H417 VanDerWaalsContact O-N 3.1Å; Y415-H417 VanDerWaalsContact C-N 3.32Å; Y415-H417 PolarHBondContact O-N 3.47Å; H417-L419 PolarHBondContact O-N 3.21Å; H417-D420 PolarHBondContact O-N 3.39Å; H417-H421 PolarHBondContact O-N 3.15Å; H417-H421 VanDerWaalsContact O-N 3.12Å
418F88.7Confident83.9Confident0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-64-40.3176.5-179.3-128.2000112.1E414 Y415 C416 H421 L422 C466 A467 N490 F492 Y572E414-F418 PolarHBondContact O-N 3Å; E414-F418 VanDerWaalsContact O-N 3.09Å; Y415-F418 HydrophobicContact CD2-CD1 4.48Å; Y415-F418 HydrophobicContact CE2-CD1 4.2Å; Y415-F418 PolarHBondContact O-N 2.72Å; C416-F418 PolarHBondContact O-N 2.7Å; F418-H421 WeakPolarHBondContact O-CB 3.3Å; F418-H421 PolarHBondContact O-N 3.38Å; F418-L422 HydrophobicContact CD1-CD1 4.1Å; F418-L422 HydrophobicContact CD2-CG 4.31Å; F418-L422 HydrophobicContact CE1-CD1 3.65Å; F418-L422 HydrophobicContact CE1-CG 4.22Å; F418-L422 HydrophobicContact CE2-CD1 4.27Å; F418-L422 HydrophobicContact CE2-CD2 3.8Å; F418-L422 HydrophobicContact CE2-CG 3.93Å; F418-L422 HydrophobicContact CZ-CD1 3.75Å; F418-L422 HydrophobicContact CZ-CD2 3.77Å; F418-L422 HydrophobicContact CZ-CG 3.9Å; F418-L422 WeakPolarHBondContact O-CG 3.5Å; F418-L422 PolarHBondContact O-N 3.41Å; F418-C466 HydrophobicContact CD1-CB 4.31Å; F418-C466 HydrophobicContact CD2-CB 3.54Å; F418-C466 HydrophobicContact CE1-CB 4.25Å; F418-C466 HydrophobicContact CE2-CB 3.52Å; F418-C466 HydrophobicContact CG-CB 3.96Å; F418-C466 HydrophobicContact CZ-CB 3.87Å; F418-A467 WeakPolarHBondContact CZ-O 3.49Å; F418-N490 HydrophobicContact CE1-CB 4.27Å; F418-N490 HydrophobicContact CZ-CB 4.23Å; F418-F492 HydrophobicContact CD1-CD2 4.1Å; F418-Y572 WeakPolarHBondContact CA-OH 3.38Å; F418-Y572 HydrophobicContact CD2-CD1 4.22Å; F418-Y572 HydrophobicContact CD2-CD2 4.15Å; F418-Y572 HydrophobicContact CD2-CE1 4.13Å; F418-Y572 HydrophobicContact CD2-CE2 4.06Å; F418-Y572 HydrophobicContact CD2-CG 4.21Å; F418-Y572 PolarHBondContact N-OH 2.93Å
419L87.1Confident83.7Confident13 Ų1328.7 Ų28.77%0.06816%0.164CC..Hα-helixtrans-64.6-40.1175.6-80.7-169.1000113.7Y415 C416 H417 H421 L422 R423 V435Y415-L419 HydrophobicContact CD1-CD1 4.17Å; Y415-L419 HydrophobicContact CD1-CG 4.22Å; Y415-L419 HydrophobicContact CE1-CD1 3.21Å; Y415-L419 HydrophobicContact CE1-CD2 4.08Å; Y415-L419 HydrophobicContact CE1-CG 3.35Å; Y415-L419 HydrophobicContact CE2-CD2 4.37Å; Y415-L419 HydrophobicContact CE2-CG 4.23Å; Y415-L419 PolarHBondContact O-N 2.72Å; Y415-L419 WeakPolarHBondContact OH-CD2 3.16Å; Y415-L419 VanDerWaalsContact OH-CG 3.28Å; Y415-L419 WeakPolarHBondContact OH-CG 3.36Å; C416-L419 PolarHBondContact O-N 2.79Å; H417-L419 PolarHBondContact O-N 3.21Å; L419-H421 PolarHBondContact O-N 3.29Å; L419-L422 HydrophobicContact CD2-CD1 4.12Å; L419-L422 PolarHBondContact O-N 3.09Å; L419-R423 WeakPolarHBondContact O-CB 3.47Å; L419-R423 PolarHBondContact O-N 3.25Å; L419-V435 HydrophobicContact CD2-CB 4.06Å; L419-V435 HydrophobicContact CD2-CG1 4.09Å; L419-V435 WeakPolarHBondContact CD2-O 3.33Å
420D87.7Confident83.3Confident3 Ų333.5 Ų33.52%0.01619%0.194CC..Hα-helixtrans-59.1-41175.5-69.8-9.4000110.4R167 H170 C416 H417 R423 V424R167-D420 WeakPolarHBondContact CB-OD2 3.46Å; R167-D420 WeakPolarHBondContact CD-OD2 3.37Å; R167-D420 IonicContact CZ-OD1 2.72Å; R167-D420 IonicContact CZ-OD2 3.17Å; R167-D420 IonicContact NE-OD1 3.92Å; R167-D420 PolarHBondContact NE-OD1 2.89Å; R167-D420 VanDerWaalsContact NE-OD1 3.16Å; R167-D420 IonicContact NE-OD2 2.64Å; R167-D420 PolarHBondContact NE-OD2 3.11Å; R167-D420 IonicContact NH2-OD1 3.53Å; R167-D420 PolarHBondContact NH2-OD1 2.67Å; R167-D420 IonicContact NH2-OD2 2.81Å; H170-D420 IonicContact CE1-OD1 3.95Å; H170-D420 PolarHBondContact CE1-OD1 2.99Å; H170-D420 IonicContact ND1-OD1 3.07Å; H170-D420 IonicContact NE2-OD1 3.83Å; C416-D420 PolarHBondContact O-N 2.72Å; H417-D420 PolarHBondContact O-N 3.39Å; D420-R423 WeakPolarHBondContact O-CB 3.43Å; D420-R423 PolarHBondContact O-N 3.26Å; D420-V424 PolarHBondContact O-N 2.94Å
421H88.6Confident82.8Confident3 Ų330.1 Ų30.11%0.01419%0.187CC..Hα-helixtrans-61.7-53.6173.1-174.696.2000112L207 H417 F418 L419 R423 V424 I425 Y468 Y572L207-H421 WeakPolarHBondContact CG-ND1 3.16Å; H417-H421 PolarHBondContact O-N 3.15Å; H417-H421 VanDerWaalsContact O-N 3.12Å; F418-H421 WeakPolarHBondContact O-CB 3.3Å; F418-H421 PolarHBondContact O-N 3.38Å; L419-H421 PolarHBondContact O-N 3.29Å; H421-R423 PolarHBondContact O-N 3.31Å; H421-R423 VanDerWaalsContact O-N 3.12Å; H421-V424 PolarHBondContact O-N 2.99Å; H421-V424 VanDerWaalsContact O-N 3.11Å; H421-I425 WeakPolarHBondContact O-CG1 3.32Å; H421-I425 PolarHBondContact O-N 3.36Å; H421-Y468 AromaticContact CD2-CE1 3.69Å; H421-Y468 AromaticContact NE2-CE1 3.19Å; H421-Y468 WeakPolarHBondContact NE2-CE1 3.38Å; H421-Y468 AromaticContact NE2-CZ 3.55Å; H421-Y468 PolarHBondContact NE2-OH 3.3Å; H421-Y572 HydrophobicContact CB-CD2 3.91Å; H421-Y572 HydrophobicContact CB-CE2 3.57Å; H421-Y572 AromaticContact CD2-CD2 3.73Å; H421-Y572 AromaticContact CE1-CD2 3.88Å; H421-Y572 AromaticContact CG-CD2 3.47Å; H421-Y572 VanDerWaalsContact CG-CD2 3.47Å; H421-Y572 AromaticContact CG-CE2 3.66Å; H421-Y572 AromaticContact ND1-CD2 3.56Å; H421-Y572 AromaticContact ND1-CE2 3.88Å; H421-Y572 AromaticContact NE2-CD2 3.99Å
422L87.9Confident82.3Confident0 Ų030.4 Ų30.40%019%0.189CC..Hα-helixtrans-58-29.5178.2-66.6-178.2000112.7F418 L419 I425 A426 Y468 L488 N490F418-L422 HydrophobicContact CD1-CD1 4.1Å; F418-L422 HydrophobicContact CD2-CG 4.31Å; F418-L422 HydrophobicContact CE1-CD1 3.65Å; F418-L422 HydrophobicContact CE1-CG 4.22Å; F418-L422 HydrophobicContact CE2-CD1 4.27Å; F418-L422 HydrophobicContact CE2-CD2 3.8Å; F418-L422 HydrophobicContact CE2-CG 3.93Å; F418-L422 HydrophobicContact CZ-CD1 3.75Å; F418-L422 HydrophobicContact CZ-CD2 3.77Å; F418-L422 HydrophobicContact CZ-CG 3.9Å; F418-L422 WeakPolarHBondContact O-CG 3.5Å; F418-L422 PolarHBondContact O-N 3.41Å; L419-L422 HydrophobicContact CD2-CD1 4.12Å; L419-L422 PolarHBondContact O-N 3.09Å; L422-I425 PolarHBondContact O-N 3.13Å; L422-A426 VanDerWaalsContact O-CB 3.3Å; L422-A426 WeakPolarHBondContact O-CB 3.37Å; L422-A426 PolarHBondContact O-N 3.26Å; L422-Y468 HydrophobicContact CD2-CD1 4.08Å; L422-Y468 HydrophobicContact CD2-CG 3.94Å; L422-L488 HydrophobicContact CB-CD2 4.27Å; L422-L488 HydrophobicContact CD2-CD2 3.87Å; L422-N490 HydrophobicContact CD1-CB 3.6Å; L422-N490 HydrophobicContact CD2-CB 4.28Å
423R86.9Confident82Confident51 Ų5131.2 Ų31.219%0.19220%0.196CC..Hα-helixtrans-65.2-41.2179.1-161168.1-168.21498.2112.2G169 H170 L419 D420 H421 A427 P434G169-R423 VanDerWaalsContact O-CD 3.23Å; G169-R423 WeakPolarHBondContact O-CD 3.46Å; G169-R423 WeakPolarHBondContact O-CG 3.27Å; G169-R423 PolarHBondContact O-NE 3.44Å; H170-R423 PolarHBondContact CD2-NH1 3.37Å; H170-R423 VanDerWaalsContact CE1-CD 3.45Å; H170-R423 WeakPolarHBondContact CE1-CD 3.34Å; H170-R423 PolarHBondContact NE2-NH1 3.11Å; L419-R423 WeakPolarHBondContact O-CB 3.47Å; L419-R423 PolarHBondContact O-N 3.25Å; D420-R423 WeakPolarHBondContact O-CB 3.43Å; D420-R423 PolarHBondContact O-N 3.26Å; H421-R423 PolarHBondContact O-N 3.31Å; H421-R423 VanDerWaalsContact O-N 3.12Å; R423-A427 PolarHBondContact O-N 2.77Å; R423-P434 HydrophobicContact CB-CB 4.14Å; R423-P434 HydrophobicContact CG-CB 3.76Å; R423-P434 HydrophobicContact CG-CG 4.13Å
424V86.7Confident81.5Confident6 Ų631 Ų314%0.03619%0.194CC..Hα-helixtrans-65.8-46.1173.3176.30000110.8P168 L192 V196 L207 D420 H421 A426 A427 S428P168-V424 HydrophobicContact CB-CG2 3.58Å; L192-V424 HydrophobicContact CD2-CG1 3.88Å; L192-V424 HydrophobicContact CD2-CG2 4.34Å; V196-V424 HydrophobicContact CG2-CG1 4.16Å; L207-V424 HydrophobicContact CD1-CB 3.73Å; L207-V424 HydrophobicContact CD1-CG1 3.82Å; L207-V424 HydrophobicContact CD1-CG2 3.75Å; D420-V424 PolarHBondContact O-N 2.94Å; H421-V424 PolarHBondContact O-N 2.99Å; H421-V424 VanDerWaalsContact O-N 3.11Å; V424-A426 PolarHBondContact O-N 2.91Å; V424-A427 PolarHBondContact O-N 2.61Å; V424-S428 PolarHBondContact O-N 3Å
425I85.6Confident80.9Confident2 Ų227.9 Ų27.91%0.0118%0.18CC..Hα-helixtrans-61.7-47.1-179.7-56.4-60.7000111.1F198 H421 L422 A427 S428 V429 Y468 R470 L488F198-I425 HydrophobicContact CE1-CD1 3.49Å; F198-I425 VanDerWaalsContact CE1-CD1 3.49Å; F198-I425 HydrophobicContact CZ-CD1 3.85Å; H421-I425 WeakPolarHBondContact O-CG1 3.32Å; H421-I425 PolarHBondContact O-N 3.36Å; L422-I425 PolarHBondContact O-N 3.13Å; I425-A427 VanDerWaalsContact C-N 3.27Å; I425-A427 PolarHBondContact O-N 2.64Å; I425-S428 WeakPolarHBondContact O-CB 3.5Å; I425-S428 PolarHBondContact O-N 2.93Å; I425-S428 PolarHBondContact O-OG 3.4Å; I425-V429 PolarHBondContact O-N 2.87Å; I425-Y468 HydrophobicContact CD1-CE2 4.12Å; I425-Y468 HydrophobicContact CG1-CE2 4.03Å; I425-Y468 HydrophobicContact CG2-CD2 3.99Å; I425-Y468 HydrophobicContact CG2-CE2 3.84Å; I425-R470 HydrophobicContact CG2-CG 3.84Å; I425-L488 HydrophobicContact CB-CD2 3.81Å; I425-L488 HydrophobicContact CG2-CD1 4.36Å; I425-L488 HydrophobicContact CG2-CD2 3.65Å
426A83Confident79.9Confident3 Ų330.4 Ų30.43%0.02520%0.196CC..Hα-helixtrans-63.5-33.3179.900000112.5L422 V424 S428 V429 T432 P434 L488L422-A426 VanDerWaalsContact O-CB 3.3Å; L422-A426 WeakPolarHBondContact O-CB 3.37Å; L422-A426 PolarHBondContact O-N 3.26Å; V424-A426 PolarHBondContact O-N 2.91Å; A426-S428 PolarHBondContact O-N 3.39Å; A426-V429 PolarHBondContact O-N 3.48Å; A426-T432 PolarHBondContact O-OG1 3.14Å; A426-P434 HydrophobicContact CB-CB 3.88Å; A426-L488 HydrophobicContact CB-CB 4.13Å; A426-L488 HydrophobicContact CB-CD2 4.21Å
427A78.9Confident78.8Confident76 Ų7631.6 Ų31.663%0.62820%0.202SC*.Hα-helixtrans-65.7-28.9174.100000112.5R423 V424 I425R423-A427 PolarHBondContact O-N 2.77Å; V424-A427 PolarHBondContact O-N 2.61Å; I425-A427 VanDerWaalsContact C-N 3.27Å; I425-A427 PolarHBondContact O-N 2.64Å
428S77.6Confident77.7Confident58 Ų5829.4 Ų29.441%0.40619%0.191SC..Hα-helixtrans-80.8-20.5177.975.70000114.2V424 I425 A426V424-S428 PolarHBondContact O-N 3Å; I425-S428 WeakPolarHBondContact O-CB 3.5Å; I425-S428 PolarHBondContact O-N 2.93Å; I425-S428 PolarHBondContact O-OG 3.4Å; A426-S428 PolarHBondContact O-N 3.39Å
429V74.8Confident76.6Confident14 Ų1431.1 Ų31.19%0.08520%0.197CC..SBendtrans-103.1112.3-175.8-177.30000110.4I425 A426 T432 R470I425-V429 PolarHBondContact O-N 2.87Å; A426-V429 PolarHBondContact O-N 3.48Å; V429-T432 HydrophobicContact CB-CG2 4.11Å; V429-T432 HydrophobicContact CG1-CG2 3.64Å; V429-T432 PolarHBondContact O-N 3.46Å; V429-T432 PolarHBondContact O-OG1 2.91Å; V429-R470 HydrophobicContact CG2-CB 4Å; V429-R470 HydrophobicContact CG2-CG 3.97Å
430P69.3Low75.8Confident119 Ų11931.5 Ų31.577%0.77320%0.201SC*.THydrogen-bonded Turntrans-62.1140-178.723.8-31.3000111.6T432P430-T432 VanDerWaalsContact C-N 3.29Å; P430-T432 PolarHBondContact O-N 3.37Å
431G68.3Low75.3Confident41 Ų4131.5 Ų31.542%0.42320%0.201SC..THydrogen-bonded Turntrans78.57.1-17900000114.8K485 I486G431-K485 VanDerWaalsContact O-CA 3.27Å; G431-K485 WeakPolarHBondContact O-CA 3.48Å; G431-I486 PolarHBondContact O-N 3.21Å; G431-I486 VanDerWaalsContact O-N 3.1Å
432T71.6Confident74.8Confident19 Ų1931.7 Ų31.712%0.11720%0.202CC..EExtended strand (participates in β ladder)trans-108.4154.7173.268.70000112.6A426 V429 P430 I486A426-T432 PolarHBondContact O-OG1 3.14Å; V429-T432 HydrophobicContact CB-CG2 4.11Å; V429-T432 HydrophobicContact CG1-CG2 3.64Å; V429-T432 PolarHBondContact O-N 3.46Å; V429-T432 PolarHBondContact O-OG1 2.91Å; P430-T432 VanDerWaalsContact C-N 3.29Å; P430-T432 PolarHBondContact O-N 3.37Å; T432-I486 CarbonylContact C-O 3.6Å; T432-I486 WeakPolarHBondContact CA-O 3.41Å
433T74Confident74.2Confident47 Ų4732.7 Ų32.729%0.28821%0.208SC..EExtended strand (participates in β ladder)trans-117.8143.6169.938.70000110.5K485 I486 P487 L488T433-K485 HydrophobicContact CG2-CB 3.44Å; T433-K485 VanDerWaalsContact CG2-CB 3.44Å; T433-K485 HydrophobicContact CG2-CD 3.7Å; T433-K485 HydrophobicContact CG2-CG 4.21Å; T433-I486 PolarHBondContact N-O 3.48Å; T433-I486 PolarHBondContact OG1-O 3.03Å; T433-P487 WeakPolarHBondContact O-CA 3.35Å; T433-L488 PolarHBondContact O-N 3.24Å
434P72.4Confident73.8Confident35 Ų3530.2 Ų30.223%0.22720%0.199CC..  trans-66.7142.6174.330.8-36.8000110.6R423 A426 V436R423-P434 HydrophobicContact CB-CB 4.14Å; R423-P434 HydrophobicContact CG-CB 3.76Å; R423-P434 HydrophobicContact CG-CG 4.13Å; A426-P434 HydrophobicContact CB-CB 3.88Å; P434-V436 WeakPolarHBondContact O-CG2 3.49Å; P434-V436 PolarHBondContact O-N 2.63Å
435V73.4Confident73.5Confident7 Ų730.1 Ų30.14%0.04220%0.198CC..  trans-72.4110.4167.9179.90000107.3L419 P487 N490 Y551L419-V435 HydrophobicContact CD2-CB 4.06Å; L419-V435 HydrophobicContact CD2-CG1 4.09Å; L419-V435 WeakPolarHBondContact CD2-O 3.33Å; V435-P487 HydrophobicContact CG2-CB 3.94Å; V435-N490 WeakPolarHBondContact CG2-ND2 3.28Å; V435-Y551 HydrophobicContact CG1-CE2 4Å; V435-Y551 HydrophobicContact CG2-CE2 3.67Å
436V61.4Low73.2Confident62 Ų6233.2 Ų33.238%0.37622%0.215SC..  trans-81-33.2-166.4-170.60000112.3P434P434-V436 WeakPolarHBondContact O-CG2 3.49Å; P434-V436 PolarHBondContact O-N 2.63Å
437N63.8Low73.1Confident36 Ų3633.8 Ų33.819%0.19322%0.22CC..  trans-153137.2177.5-73.2-39.2000109.1P134 V135P134-N437 WeakPolarHBondContact CA-OD1 3.28Å; P134-N437 HydrophobicContact CB-CB 4.5Å; P134-N437 WeakPolarHBondContact CB-OD1 3.46Å; V135-N437 PolarHBondContact N-OD1 3.16Å; V135-N437 PolarHBondContact O-ND2 2.9Å
438R63.1Low73.3Confident23 Ų2330.3 Ų30.39%0.08719%0.19CC..  trans-103.6136.5155169.7-165.5-176.6-153.912.1107.5Y415 F492 Q509Y415-R438 HydrophobicContact CD1-CB 4.13Å; Y415-R438 HydrophobicContact CE1-CB 3.23Å; Y415-R438 HydrophobicContact CE1-CG 4.14Å; Y415-R438 HydrophobicContact CE2-CB 3.9Å; Y415-R438 HydrophobicContact CE2-CG 4.19Å; Y415-R438 WeakPolarHBondContact OH-CB 3.24Å; Y415-R438 PolarHBondContact OH-N 3.44Å; R438-F492 VanDerWaalsContact NH1-CE1 3.3Å; R438-Q509 VanDerWaalsContact CZ-OE1 3.31Å; R438-Q509 VanDerWaalsContact NE-OE1 3.1Å; R438-Q509 VanDerWaalsContact NH2-CD 3.27Å
439R65.7Low73.5Confident36 Ų3634.5 Ų34.514%0.13620%0.204CC..  trans-104.9150.6-173.4-58.8173-133.3143.2-8.2108.8L441 D614R439-L441 PolarHBondContact O-N 2.78Å; R439-D614 VanDerWaalsContact CB-OD1 3.26Å; R439-D614 WeakPolarHBondContact CB-OD1 3.41Å; R439-D614 WeakPolarHBondContact CB-OD2 3.34Å; R439-D614 WeakPolarHBondContact CD-OD1 3.33Å; R439-D614 VanDerWaalsContact CD-OD2 3.25Å; R439-D614 WeakPolarHBondContact CD-OD2 3.33Å; R439-D614 WeakPolarHBondContact CG-OD1 3.39Å; R439-D614 WeakPolarHBondContact CG-OD2 3.42Å; R439-D614 IonicContact CZ-OD1 3.69Å; R439-D614 VanDerWaalsContact CZ-OD1 3.23Å; R439-D614 IonicContact CZ-OD2 3Å; R439-D614 PolarHBondContact N-OD2 3.45Å; R439-D614 IonicContact NE-OD1 3.81Å; R439-D614 PolarHBondContact NE-OD1 2.95Å; R439-D614 IonicContact NE-OD2 2.76Å; R439-D614 PolarHBondContact NE-OD2 3.49Å; R439-D614 VanDerWaalsContact NE-OD2 3.11Å; R439-D614 IonicContact NH1-OD1 2.65Å; R439-D614 PolarHBondContact NH1-OD1 3.25Å; R439-D614 IonicContact NH1-OD2 3.94Å
440C71.8Confident73.7Confident21 Ų2136.2 Ų36.214%0.14221%0.212CC..  trans-66.3133178.9-165.50000109.5C409 C442 P443 C802C409-C440 HydrophobicContact CB-CB 4.01Å; C409-C440 PolarHBondContact N-SG 3.41Å; C440-C442 HydrophobicContact CB-CB 3.99Å; C440-C442 WeakPolarHBondContact CB-SG 3.24Å; C440-C442 PolarHBondContact O-N 3Å; C440-C442 WeakPolarHBondContact SG-CB 3.47Å; C440-C442 PolarHBondContact SG-N 2.79Å; C440-C442 CovalentContact SG-SG 2.06Å; C440-C442 PolarHBondContact SG-SG 3.03Å; C440-P443 WeakPolarHBondContact O-CD 3.42Å; C440-C802 HydrophobicContact CB-CB 3.95Å
441L76.6Confident74.2Confident3 Ų333.6 Ų33.62%0.01620%0.197CC..SBendtrans-78.36.7167.8-57.9-177.4000113V335 A404 R439 P443 L444 M445 L553 L555 S613V335-L441 HydrophobicContact CG2-CD2 4.18Å; A404-L441 HydrophobicContact CB-CB 3.41Å; A404-L441 VanDerWaalsContact CB-CB 3.41Å; A404-L441 HydrophobicContact CB-CD1 3.9Å; A404-L441 HydrophobicContact CB-CG 4.31Å; R439-L441 PolarHBondContact O-N 2.78Å; L441-P443 VanDerWaalsContact C-CD 3.4Å; L441-P443 VanDerWaalsContact C-N 3.31Å; L441-L444 WeakPolarHBondContact O-CB 3.2Å; L441-L444 PolarHBondContact O-N 3.13Å; L441-M445 PolarHBondContact O-N 3.18Å; L441-L553 HydrophobicContact CD1-CD2 3.98Å; L441-L553 HydrophobicContact CD2-CD2 4.4Å; L441-L553 HydrophobicContact CG-CD2 4.46Å; L441-L555 HydrophobicContact CD1-CD1 3.94Å; L441-L555 HydrophobicContact CD1-CD2 4.29Å; L441-S613 WeakPolarHBondContact CD2-OG 3.28Å
442C77.6Confident74.8Confident6 Ų636.8 Ų36.84%0.04120%0.196CC..Hα-helixtrans-52.3-41.2176.1-54.80000112.7C409 C440 L444 M445 D446 C802C409-C442 VanDerWaalsContact SG-SG 3.66Å; C440-C442 HydrophobicContact CB-CB 3.99Å; C440-C442 WeakPolarHBondContact CB-SG 3.24Å; C440-C442 PolarHBondContact O-N 3Å; C440-C442 WeakPolarHBondContact SG-CB 3.47Å; C440-C442 PolarHBondContact SG-N 2.79Å; C440-C442 CovalentContact SG-SG 2.06Å; C440-C442 PolarHBondContact SG-SG 3.03Å; C442-L444 VanDerWaalsContact C-N 3.31Å; C442-L444 PolarHBondContact O-N 3.19Å; C442-M445 PolarHBondContact O-N 3.28Å; C442-D446 PolarHBondContact O-N 3.31Å; C442-C802 HydrophobicContact CB-CB 3.32Å; C442-C802 WeakPolarHBondContact CB-SG 3.38Å
443P75.7Confident75.2Confident21 Ų2141.3 Ų41.314%0.13622%0.219CC..Hα-helixtrans-60.8-38.2175.1-26.739000113.4F381 V383 C440 L441 D446 A447 C802F381-P443 WeakPolarHBondContact O-CB 3.3Å; V383-P443 HydrophobicContact CG2-CB 3.44Å; V383-P443 VanDerWaalsContact CG2-CB 3.44Å; V383-P443 WeakPolarHBondContact CG2-O 3.44Å; C440-P443 WeakPolarHBondContact O-CD 3.42Å; L441-P443 VanDerWaalsContact C-CD 3.4Å; L441-P443 VanDerWaalsContact C-N 3.31Å; P443-D446 PolarHBondContact O-N 3.39Å; P443-A447 WeakPolarHBondContact O-CB 3.31Å; P443-A447 PolarHBondContact O-N 2.87Å; P443-C802 HydrophobicContact CG-CB 4.42Å
444L78Confident75.6Confident0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-67.1-43176.6174.467.3000110.6V335 L373 F385 L400 L441 C442 D446 A447 M448 D611V335-L444 HydrophobicContact CG1-CD2 4.48Å; V335-L444 HydrophobicContact CG2-CB 4.22Å; L373-L444 HydrophobicContact CD2-CD1 3.44Å; L373-L444 VanDerWaalsContact CD2-CD1 3.44Å; F385-L444 HydrophobicContact CE1-CD1 4.34Å; F385-L444 HydrophobicContact CZ-CD1 3.92Å; L400-L444 HydrophobicContact CD2-CD2 3.83Å; L400-L444 HydrophobicContact CG-CD2 4.46Å; L441-L444 WeakPolarHBondContact O-CB 3.2Å; L441-L444 PolarHBondContact O-N 3.13Å; C442-L444 VanDerWaalsContact C-N 3.31Å; C442-L444 PolarHBondContact O-N 3.19Å; L444-D446 VanDerWaalsContact C-N 3.34Å; L444-D446 PolarHBondContact O-N 2.89Å; L444-A447 WeakPolarHBondContact O-CB 3.41Å; L444-A447 PolarHBondContact O-N 3.26Å; L444-A447 VanDerWaalsContact O-N 3.14Å; L444-M448 HydrophobicContact CD1-SD 4.35Å; L444-M448 HydrophobicContact CG-SD 4.08Å; L444-M448 VanDerWaalsContact O-CG 3.26Å; L444-M448 WeakPolarHBondContact O-CG 3.4Å; L444-M448 PolarHBondContact O-N 2.74Å; L444-D611 WeakPolarHBondContact CD2-OD2 3.37Å
445M80.9Confident76Confident3 Ų340 Ų402%0.01521%0.212CC..Hα-helixtrans-60.8-43.5175.4-172.9-71.4-54.400111.3L405 L441 C442 A447 M448 Q449 L450 R452L405-M445 HydrophobicContact CB-CG 4.26Å; L405-M445 HydrophobicContact CD1-CE 4.12Å; L405-M445 HydrophobicContact CD1-CG 4.29Å; L405-M445 HydrophobicContact CD1-SD 4.26Å; L441-M445 PolarHBondContact O-N 3.18Å; C442-M445 PolarHBondContact O-N 3.28Å; M445-A447 VanDerWaalsContact C-N 3.32Å; M445-A447 PolarHBondContact O-N 3.1Å; M445-M448 PolarHBondContact O-N 2.94Å; M445-Q449 PolarHBondContact O-N 3.43Å; M445-L450 HydrophobicContact CG-CB 4.08Å; M445-L450 HydrophobicContact CG-CD1 4.41Å; M445-L450 PolarHBondContact O-N 3.35Å; M445-L450 HydrophobicContact SD-CB 3.65Å; M445-R452 HydrophobicContact CE-CG 3.51Å; M445-R452 HydrophobicContact SD-CG 4.47Å
446D79.1Confident76.6Confident67 Ų6744.1 Ų44.136%0.35824%0.237SC..Hα-helixtrans-62.3-39174.2-69.3-22.4000111.1C442 P443 L444 M448 Q449 R452C442-D446 PolarHBondContact O-N 3.31Å; P443-D446 PolarHBondContact O-N 3.39Å; L444-D446 VanDerWaalsContact C-N 3.34Å; L444-D446 PolarHBondContact O-N 2.89Å; D446-M448 VanDerWaalsContact C-N 3.31Å; D446-M448 PolarHBondContact O-N 2.76Å; D446-Q449 PolarHBondContact O-N 3.14Å; D446-Q449 VanDerWaalsContact O-N 3.16Å; D446-R452 VanDerWaalsContact CG-NH2 3.3Å; D446-R452 IonicContact OD1-CZ 2.85Å; D446-R452 IonicContact OD1-NE 2.65Å; D446-R452 PolarHBondContact OD1-NE 2.81Å; D446-R452 IonicContact OD1-NH2 2.79Å; D446-R452 PolarHBondContact OD1-NH2 2.76Å; D446-R452 IonicContact OD2-CZ 3.49Å; D446-R452 IonicContact OD2-NH2 3.18Å; D446-R452 PolarHBondContact OD2-NH2 3.28Å
447A81.4Confident77.8Confident15 Ų1546.7 Ų46.712%0.12425%0.245CC..Hα-helixtrans-64.5-34.8175.400000112.6V383 F385 P443 L444 M445 Q449V383-A447 HydrophobicContact CG2-CB 4.5Å; V383-A447 VanDerWaalsContact O-CB 3.27Å; V383-A447 WeakPolarHBondContact O-CB 3.48Å; F385-A447 HydrophobicContact CE2-CB 4.33Å; P443-A447 WeakPolarHBondContact O-CB 3.31Å; P443-A447 PolarHBondContact O-N 2.87Å; L444-A447 WeakPolarHBondContact O-CB 3.41Å; L444-A447 PolarHBondContact O-N 3.26Å; L444-A447 VanDerWaalsContact O-N 3.14Å; M445-A447 VanDerWaalsContact C-N 3.32Å; M445-A447 PolarHBondContact O-N 3.1Å; A447-Q449 PolarHBondContact O-N 3.07Å
448M83.2Confident78.9Confident3 Ų345.2 Ų45.22%0.01524%0.237CC..THydrogen-bonded Turntrans-77.2-4.3175.9-66.7172.660.200113.8F385 L397 L400 L444 M445 D446 L450F385-M448 HydrophobicContact CE2-CG 3.73Å; F385-M448 HydrophobicContact CZ-CG 3.73Å; L397-M448 HydrophobicContact CB-CE 3.29Å; L397-M448 HydrophobicContact CB-SD 4.28Å; L397-M448 HydrophobicContact CG-CE 4.47Å; L397-M448 VanDerWaalsContact O-CE 3.29Å; L397-M448 WeakPolarHBondContact O-CE 3.26Å; L400-M448 HydrophobicContact CD2-SD 4.46Å; L444-M448 HydrophobicContact CD1-SD 4.35Å; L444-M448 HydrophobicContact CG-SD 4.08Å; L444-M448 VanDerWaalsContact O-CG 3.26Å; L444-M448 WeakPolarHBondContact O-CG 3.4Å; L444-M448 PolarHBondContact O-N 2.74Å; M445-M448 PolarHBondContact O-N 2.94Å; D446-M448 VanDerWaalsContact C-N 3.31Å; D446-M448 PolarHBondContact O-N 2.76Å; M448-L450 HydrophobicContact CB-CD1 4.17Å; M448-L450 HydrophobicContact CB-CG 4.33Å; M448-L450 HydrophobicContact CE-CD1 3.75Å; M448-L450 PolarHBondContact O-N 3.31Å
449Q81.6Confident79.9Confident147 Ų14748.6 Ų48.669%0.68725%0.254SS*.THydrogen-bonded Turntrans58.630.9179.5-52.7175.610.800113.4W390 M445 D446 A447W390-Q449 HydrophobicContact CH2-CG 4.49Å; M445-Q449 PolarHBondContact O-N 3.43Å; D446-Q449 PolarHBondContact O-N 3.14Å; D446-Q449 VanDerWaalsContact O-N 3.16Å; A447-Q449 PolarHBondContact O-N 3.07Å
450L78.2Confident80.5Confident49 Ų4951.4 Ų51.426%0.25727%0.268SS..  trans-77.4140.2173.3-74.7163.3000109.8M445 M448M445-L450 HydrophobicContact CG-CB 4.08Å; M445-L450 HydrophobicContact CG-CD1 4.41Å; M445-L450 PolarHBondContact O-N 3.35Å; M445-L450 HydrophobicContact SD-CB 3.65Å; M448-L450 HydrophobicContact CB-CD1 4.17Å; M448-L450 HydrophobicContact CB-CG 4.33Å; M448-L450 HydrophobicContact CE-CD1 3.75Å; M448-L450 PolarHBondContact O-N 3.31Å
451S81.2Confident81Confident65 Ų6555.8 Ų55.846%0.45530%0.297SS..  trans-74132.1177.3179.90000110.7D453 A454S451-D453 PolarHBondContact O-N 3.35Å; S451-D453 WeakPolarHBondContact OG-CB 3.45Å; S451-D453 PolarHBondContact OG-N 2.9Å; S451-D453 VanDerWaalsContact OG-N 3.1Å; S451-D453 PolarHBondContact OG-OD2 2.87Å; S451-A454 WeakPolarHBondContact O-CB 3.37Å; S451-A454 PolarHBondContact O-N 2.82Å
452R79.4Confident81.4Confident107 Ų10756.4 Ų56.440%0.40430%0.301SS..G310 helixtrans-64.9-20.1171.4-65.6-176.7-176-165.4-1.9112.6L405 M445 D446 A454 I455 C803L405-R452 HydrophobicContact CD1-CG 4.35Å; M445-R452 HydrophobicContact CE-CG 3.51Å; M445-R452 HydrophobicContact SD-CG 4.47Å; D446-R452 VanDerWaalsContact CG-NH2 3.3Å; D446-R452 IonicContact OD1-CZ 2.85Å; D446-R452 IonicContact OD1-NE 2.65Å; D446-R452 PolarHBondContact OD1-NE 2.81Å; D446-R452 IonicContact OD1-NH2 2.79Å; D446-R452 PolarHBondContact OD1-NH2 2.76Å; D446-R452 IonicContact OD2-CZ 3.49Å; D446-R452 IonicContact OD2-NH2 3.18Å; D446-R452 PolarHBondContact OD2-NH2 3.28Å; R452-A454 PolarHBondContact O-N 3.49Å; R452-A454 VanDerWaalsContact O-N 3.13Å; R452-I455 PolarHBondContact O-N 2.85Å; R452-I455 VanDerWaalsContact O-N 3.17Å; R452-C803 PolarHBondContact NH1-SG 2.96Å
453D80.9Confident81.8Confident114 Ų11457.6 Ų57.661%0.6131%0.308SS*.G310 helixtrans-64.3-16.6177.4-57.5-34.1000112.3S451 I455 T456S451-D453 PolarHBondContact O-N 3.35Å; S451-D453 WeakPolarHBondContact OG-CB 3.45Å; S451-D453 PolarHBondContact OG-N 2.9Å; S451-D453 VanDerWaalsContact OG-N 3.1Å; S451-D453 PolarHBondContact OG-OD2 2.87Å; D453-I455 PolarHBondContact O-N 2.91Å; D453-T456 WeakPolarHBondContact O-CB 3.49Å; D453-T456 PolarHBondContact O-N 2.97Å; D453-T456 PolarHBondContact O-OG1 3.24Å
454A81.8Confident82.4Confident24 Ų2458 Ų5820%0.19831%0.31CS..G310 helixtrans-59.5-25.7174.200000112.8L405 S451 R452 T456 Q457 F458L405-A454 HydrophobicContact CD2-CB 3.77Å; S451-A454 WeakPolarHBondContact O-CB 3.37Å; S451-A454 PolarHBondContact O-N 2.82Å; R452-A454 PolarHBondContact O-N 3.49Å; R452-A454 VanDerWaalsContact O-N 3.13Å; A454-T456 PolarHBondContact O-N 3.07Å; A454-Q457 WeakPolarHBondContact O-CB 3.42Å; A454-Q457 PolarHBondContact O-N 3.08Å; A454-F458 WeakPolarHBondContact O-CD2 3.37Å
455I81.8Confident82.8Confident30 Ų3058.3 Ų58.315%0.15431%0.311CS..G310 helixtrans-59.3-34.3172.7-63.8176.8000111L405 L410 R452 D453 Q457 F458L405-I455 HydrophobicContact CD1-CD1 3.63Å; L405-I455 HydrophobicContact CD1-CG1 3.79Å; L405-I455 HydrophobicContact CD2-CG1 3.74Å; L405-I455 HydrophobicContact CG-CD1 3.82Å; L405-I455 HydrophobicContact CG-CG1 3.48Å; L405-I455 VanDerWaalsContact CG-CG1 3.48Å; L410-I455 HydrophobicContact CD1-CD1 4Å; R452-I455 PolarHBondContact O-N 2.85Å; R452-I455 VanDerWaalsContact O-N 3.17Å; D453-I455 PolarHBondContact O-N 2.91Å; I455-Q457 PolarHBondContact O-N 3.5Å; I455-Q457 VanDerWaalsContact O-N 3.12Å; I455-F458 PolarHBondContact O-N 3.49Å
456T84.9Confident83.1Confident94 Ų9458.3 Ų58.358%0.57731%0.312SS*.G310 helixtrans-66.1-16.7-177.169.60000113.1D453 A454 F458 K499D453-T456 WeakPolarHBondContact O-CB 3.49Å; D453-T456 PolarHBondContact O-N 2.97Å; D453-T456 PolarHBondContact O-OG1 3.24Å; A454-T456 PolarHBondContact O-N 3.07Å; T456-F458 PolarHBondContact O-N 2.84Å; T456-K499 WeakPolarHBondContact O-CD 3.43Å; T456-K499 WeakPolarHBondContact O-CE 3.46Å; T456-K499 PolarHBondContact O-NZ 3.39Å
457Q86.3Confident83.5Confident116 Ų11655.1 Ų55.154%0.54230%0.295SS..G310 helixtrans-73.9-15.7175-59.4179.50.100112.4A454 I455 K499A454-Q457 WeakPolarHBondContact O-CB 3.42Å; A454-Q457 PolarHBondContact O-N 3.08Å; I455-Q457 PolarHBondContact O-N 3.5Å; I455-Q457 VanDerWaalsContact O-N 3.12Å; Q457-K499 VanDerWaalsContact O-CB 3.26Å; Q457-K499 WeakPolarHBondContact O-CB 3.3Å; Q457-K499 VanDerWaalsContact O-CG 3.3Å; Q457-K499 WeakPolarHBondContact O-CG 3.3Å; Q457-K499 PolarHBondContact O-N 2.8Å
458F86.6Confident83.8Confident6 Ų654.4 Ų54.43%0.02629%0.289CS..BIsolated β-bridgetrans-106.5149.4179.4-58.8-85.4000111.4L402 L406 A454 I455 T456 N496 K497 D498 K499 Q505L402-F458 HydrophobicContact CD1-CE2 4.13Å; L402-F458 HydrophobicContact CD1-CZ 4.46Å; L402-F458 HydrophobicContact CD2-CZ 4.45Å; L406-F458 HydrophobicContact CD1-CD2 4.37Å; L406-F458 HydrophobicContact CD1-CE1 4.41Å; L406-F458 HydrophobicContact CD1-CE2 4.1Å; L406-F458 HydrophobicContact CD1-CZ 4.12Å; L406-F458 HydrophobicContact CD2-CB 4.49Å; L406-F458 HydrophobicContact CD2-CD2 3.69Å; L406-F458 HydrophobicContact CD2-CE2 4.1Å; L406-F458 HydrophobicContact CD2-CG 4.1Å; A454-F458 WeakPolarHBondContact O-CD2 3.37Å; I455-F458 PolarHBondContact O-N 3.49Å; T456-F458 PolarHBondContact O-N 2.84Å; F458-N496 HydrophobicContact CB-CB 4.21Å; F458-N496 HydrophobicContact CD1-CB 3.75Å; F458-N496 HydrophobicContact CE1-CB 4.48Å; F458-N496 HydrophobicContact CG-CB 4.16Å; F458-K497 CarbonylContact C-O 3.36Å; F458-K497 VanDerWaalsContact CA-O 3.32Å; F458-K497 WeakPolarHBondContact CA-O 3.49Å; F458-D498 HydrophobicContact CD1-CB 4.33Å; F458-D498 HydrophobicContact CE1-CB 4.23Å; F458-K499 WeakPolarHBondContact O-CE 3.45Å; F458-K499 PolarHBondContact O-NZ 3.05Å; F458-Q505 HydrophobicContact CE1-CB 4.3Å; F458-Q505 HydrophobicContact CE1-CG 4.26Å
459E84.6Confident83.8Confident94 Ų9456.2 Ų56.244%0.43930%0.296SS..  trans-71.7141.4171.7-155.2166.8-174.700110K497E459-K497 HydrophobicContact CB-CB 4.14Å; E459-K497 PolarHBondContact N-O 3.08Å; E459-K497 VanDerWaalsContact OE2-CD 3.29Å; E459-K497 WeakPolarHBondContact OE2-CD 3.35Å; E459-K497 WeakPolarHBondContact OE2-CE 3.45Å; E459-K497 IonicContact OE2-NZ 2.74Å; E459-K497 PolarHBondContact OE2-NZ 2.71Å
460Q79.3Confident83.7Confident94 Ų9451.7 Ų51.744%0.43927%0.272SS..SBendtrans-128.4144.2-175.1-68.6-71.8-41.700109.6
461P80.8Confident83.2Confident114 Ų11457.6 Ų57.674%0.7429%0.291SS*.SBendcis-77155.4-2.432.1-35000113
462P85.5Confident81.8Confident16 Ų1658.1 Ų58.110%0.10429%0.292CS..PPolyproline II helixtrans-73.9158.7175.831.8-34.8000112.2L411 T494 N496L411-P462 HydrophobicContact CD1-CG 4.05Å; L411-P462 HydrophobicContact CD2-CG 3.92Å; P462-T494 HydrophobicContact CG-CG2 4.46Å; P462-N496 WeakPolarHBondContact CB-OD1 3.49Å
463T86.6Confident80.3Confident30 Ų3057.6 Ų57.618%0.18431%0.31CS..EExtended strand (participates in β ladder)trans-79.1126.2167.6-63.80000108.7T494 I495 A565 L567T463-T494 WeakPolarHBondContact O-CA 3.4Å; T463-I495 PolarHBondContact N-O 3.24Å; T463-I495 PolarHBondContact O-N 2.85Å; T463-A565 PolarHBondContact OG1-O 3.22Å; T463-L567 WeakPolarHBondContact CG2-O 3.09Å
464V87.4Confident78.3Confident31 Ų3158.3 Ų58.319%0.18831%0.314CS..EExtended strand (participates in β ladder)trans-102.4133.4-178.2-179.70000109.7L411 E414 F492 T494L411-V464 HydrophobicContact CD2-CG2 4.26Å; E414-V464 HydrophobicContact CG-CG2 4.43Å; V464-F492 HydrophobicContact CG1-CD2 4.44Å; V464-F492 HydrophobicContact CG1-CE1 4.3Å; V464-F492 HydrophobicContact CG1-CE2 3.67Å; V464-F492 HydrophobicContact CG1-CZ 3.59Å; V464-T494 HydrophobicContact CG2-CG2 4.38Å
465L86.8Confident76.2Confident5 Ų564.3 Ų64.33%0.02634%0.342CS..EExtended strand (participates in β ladder)trans-125.7131.9174-69.8170.9000109.4A493 I495 M506 H569 Y573 F602L465-A493 HydrophobicContact CB-CB 4.2Å; L465-A493 PolarHBondContact N-O 3.2Å; L465-A493 PolarHBondContact O-N 3.47Å; L465-I495 HydrophobicContact CD1-CD1 3.43Å; L465-I495 VanDerWaalsContact CD1-CD1 3.43Å; L465-I495 HydrophobicContact CD1-CG1 4.23Å; L465-I495 HydrophobicContact CG-CD1 4.32Å; L465-M506 HydrophobicContact CD1-CE 4.22Å; L465-H569 HydrophobicContact CD2-CB 4.26Å; L465-Y573 HydrophobicContact CD2-CE2 3.97Å; L465-F602 HydrophobicContact CB-CZ 4.45Å; L465-F602 HydrophobicContact CD1-CZ 4.33Å
466C87.5Confident74.3Confident3 Ų368.1 Ų68.12%0.0237%0.368CS..EExtended strand (participates in β ladder)trans-127.7135.2-179-63.50000110.3F418 L491 F492 Y572 Y573F418-C466 HydrophobicContact CD1-CB 4.31Å; F418-C466 HydrophobicContact CD2-CB 3.54Å; F418-C466 HydrophobicContact CE1-CB 4.25Å; F418-C466 HydrophobicContact CE2-CB 3.52Å; F418-C466 HydrophobicContact CG-CB 3.96Å; F418-C466 HydrophobicContact CZ-CB 3.87Å; C466-L491 WeakPolarHBondContact CA-O 3.39Å; C466-F492 WeakPolarHBondContact SG-CD2 3.49Å; C466-Y572 HydrophobicContact CB-CD1 3.55Å; C466-Y572 HydrophobicContact CB-CE1 3.93Å; C466-Y572 HydrophobicContact CB-CG 4.3Å; C466-Y572 WeakPolarHBondContact O-CA 3.39Å; C466-Y573 PolarHBondContact O-N 2.92Å
467A87.6Confident72.2Confident0 Ų068 Ų680%037%0.369CS..EExtended strand (participates in β ladder)trans-138.4153.2179.300000111.8F418 N490 L491 M514 Y573 L575F418-A467 WeakPolarHBondContact CZ-O 3.49Å; A467-N490 CarbonylContact O-C 3.58Å; A467-N490 WeakPolarHBondContact O-CA 3.13Å; A467-L491 HydrophobicContact CB-CB 4.43Å; A467-L491 PolarHBondContact N-O 3.33Å; A467-L491 PolarHBondContact O-N 3.04Å; A467-M514 WeakPolarHBondContact O-CE 3.4Å; A467-Y573 CarbonylContact C-O 3.51Å; A467-Y573 VanDerWaalsContact CA-O 3.23Å; A467-Y573 WeakPolarHBondContact CA-O 3.38Å; A467-L575 HydrophobicContact CB-CD1 3.8Å; A467-L575 HydrophobicContact CB-CG 4.17Å
468Y86.8Confident70.2Confident0 Ų068.5 Ų68.50%037%0.374CS..EExtended strand (participates in β ladder)trans-142.9163.7173.763-90.2000111.7H421 L422 I425 R470 S489 Y573 D574 L575H421-Y468 AromaticContact CD2-CE1 3.69Å; H421-Y468 AromaticContact NE2-CE1 3.19Å; H421-Y468 WeakPolarHBondContact NE2-CE1 3.38Å; H421-Y468 AromaticContact NE2-CZ 3.55Å; H421-Y468 PolarHBondContact NE2-OH 3.3Å; L422-Y468 HydrophobicContact CD2-CD1 4.08Å; L422-Y468 HydrophobicContact CD2-CG 3.94Å; I425-Y468 HydrophobicContact CD1-CE2 4.12Å; I425-Y468 HydrophobicContact CG1-CE2 4.03Å; I425-Y468 HydrophobicContact CG2-CD2 3.99Å; I425-Y468 HydrophobicContact CG2-CE2 3.84Å; Y468-R470 HydrophobicContact CD2-CG 4.32Å; Y468-R470 HydrophobicContact CE2-CG 4.21Å; Y468-S489 WeakPolarHBondContact CA-O 3.2Å; Y468-Y573 PolarHBondContact N-O 3.49Å; Y468-D574 HydrophobicContact CE2-CB 3.96Å; Y468-L575 PolarHBondContact O-N 2.94Å
469R84.6Confident67.8Low42 Ų4272.8 Ų72.816%0.15840%0.403CS..EExtended strand (participates in β ladder)trans-132.5128.8175.9-167.3-174.3-65.2157.2-4.4110.5L488 S489 M514 D517 C579R469-L488 WeakPolarHBondContact O-CD1 3.19Å; R469-S489 PolarHBondContact N-O 3.21Å; R469-S489 VanDerWaalsContact N-O 3.07Å; R469-M514 HydrophobicContact CB-CG 4.24Å; R469-M514 HydrophobicContact CB-SD 3.88Å; R469-D517 IonicContact CZ-OD2 3.43Å; R469-D517 IonicContact NH1-OD2 3.97Å; R469-D517 PolarHBondContact NH1-OD2 3.01Å; R469-D517 IonicContact NH2-OD2 3.51Å; R469-D517 PolarHBondContact NH2-OD2 3.08Å; R469-C579 VanDerWaalsContact CZ-SG 3.54Å; R469-C579 PolarHBondContact NH2-SG 3.26Å; R469-C579 VanDerWaalsContact NH2-SG 3.43Å
470R79.5Confident65.8Low52 Ų5271.2 Ų71.220%0.19641%0.412CS..PPolyproline II helixtrans-86.8142170.9-56.9-179.4-85.4162.6-3.6108.3F198 I425 V429 Y468 T472 D574 T576F198-R470 VanDerWaalsContact CD1-NH1 3.27Å; I425-R470 HydrophobicContact CG2-CG 3.84Å; V429-R470 HydrophobicContact CG2-CB 4Å; V429-R470 HydrophobicContact CG2-CG 3.97Å; Y468-R470 HydrophobicContact CD2-CG 4.32Å; Y468-R470 HydrophobicContact CE2-CG 4.21Å; R470-T472 PolarHBondContact O-N 3.09Å; R470-D574 IonicContact CZ-OD2 3.68Å; R470-D574 IonicContact NE-OD1 2.61Å; R470-D574 IonicContact NE-OD2 3.27Å; R470-D574 PolarHBondContact NE-OD2 2.84Å; R470-D574 IonicContact NH2-OD2 3.98Å; R470-D574 PolarHBondContact NH2-OD2 3.19Å; R470-T576 HydrophobicContact CB-CG2 4.04Å; R470-T576 VanDerWaalsContact CB-OG1 3.29Å; R470-T576 WeakPolarHBondContact CB-OG1 3.18Å; R470-T576 PolarHBondContact N-OG1 3.36Å; R470-T576 WeakPolarHBondContact O-CG2 3.41Å
471R66.9Low64Low173 Ų17369 Ų6965%0.65341%0.407SS*.PPolyproline II helixtrans-73.1125.9167.3-97.2-174.6178.4171.31108.6
472T53.2Low62.4Low76 Ų7666.9 Ų66.947%0.46639%0.393SS..PPolyproline II helixtrans-63.7143.3165.453.70000108.5R470 D474 T576R470-T472 PolarHBondContact O-N 3.09Å; T472-D474 WeakPolarHBondContact CB-OD2 3.49Å; T472-D474 PolarHBondContact O-N 3.12Å; T472-D474 PolarHBondContact OG1-OD2 3Å; T472-T576 HydrophobicContact CG2-CG2 4.03Å
473A47.9Very low60.8Low96 Ų9674.6 Ų74.679%0.79342%0.42SS*.  trans-72.937.9-173.700000113.3L475A473-L475 PolarHBondContact O-N 2.81Å
474D37.5Very low59.3Low129 Ų12976.6 Ų76.669%0.6943%0.425SS*.  trans-87.667.8-176.4-58-40.8000109.8T472T472-D474 WeakPolarHBondContact CB-OD2 3.49Å; T472-D474 PolarHBondContact O-N 3.12Å; T472-D474 PolarHBondContact OG1-OD2 3Å
475L39.2Very low58Low149 Ų14980 Ų8078%0.7844%0.437SS*.SBendtrans156.8120.7148.6-86.7148.8000107.3A473A473-L475 PolarHBondContact O-N 2.81Å
476P40.1Very low57.2Low110 Ų11082.5 Ų82.571%0.71445%0.45SS*.PPolyproline II helixtrans-56.3139.3167.724.1-30.1000108I478P476-I478 PolarHBondContact O-N 3.36Å; P476-I478 VanDerWaalsContact O-N 3.14Å
477P42.2Very low56.4Low92 Ų9283.5 Ų83.560%0.59746%0.457SS*.PPolyproline II helixtrans-54127.4179.721.8-31.2000108.5P479P477-P479 WeakPolarHBondContact O-CD 3.42Å; P477-P479 VanDerWaalsContact O-N 3.1Å
478I44Very low56.2Low126 Ų12683.7 Ų83.765%0.64646%0.457SS*.PPolyproline II helixtrans-51.8122-179.9-59.6168.1000107.5P476 G480 S481P476-I478 PolarHBondContact O-N 3.36Å; P476-I478 VanDerWaalsContact O-N 3.14Å; I478-G480 PolarHBondContact O-N 3.44Å; I478-G480 VanDerWaalsContact O-N 3.11Å; I478-S481 PolarHBondContact O-N 2.84Å; I478-S481 PolarHBondContact O-OG 2.88Å
479P36.2Very low56.1Low96 Ų9684.4 Ų84.462%0.62346%0.462SS*.THydrogen-bonded Turntrans-56.9119.2179.8-21.730.6000109.8P477P477-P479 WeakPolarHBondContact O-CD 3.42Å; P477-P479 VanDerWaalsContact O-N 3.1Å
480G42.5Very low56.3Low62 Ų6282.7 Ų82.764%0.63946%0.456SS*.THydrogen-bonded Turntrans99.6-9.1-17900000116.1I478I478-G480 PolarHBondContact O-N 3.44Å; I478-G480 VanDerWaalsContact O-N 3.11Å
481S42.1Very low56.7Low46 Ų4680.3 Ų80.332%0.32245%0.448SS..SBendtrans-77.3133.5170.967.20000110.6I478 R483I478-S481 PolarHBondContact O-N 2.84Å; I478-S481 PolarHBondContact O-OG 2.88Å; S481-R483 PolarHBondContact O-N 2.86Å
482P45.7Very low57.7Low70 Ų7072.2 Ų72.246%0.45542%0.417SS..  trans-61.9124178.224.4-30.9000109Y484 Y646P482-Y484 PolarHBondContact O-N 3.18Å; P482-Y646 HydrophobicContact CB-CD1 3.72Å; P482-Y646 HydrophobicContact CB-CE1 3.86Å
483R52Low59.4Low179 Ų17968.6 Ų68.668%0.67540%0.395SS*.  trans-6775.4-179-64.9-176.9-167.9176.14.1110.5S481 K485 D676S481-R483 PolarHBondContact O-N 2.86Å; R483-K485 PolarHBondContact O-N 3.39Å; R483-D676 IonicContact NH2-OD2 3.04Å
484Y55.2Low61.3Low71 Ų7164 Ų6428%0.27836%0.357SS..PPolyproline II helixtrans-71.5119.4171.2-174.9-96.7000108.7P482 I486 N547 M548P482-Y484 PolarHBondContact O-N 3.18Å; Y484-I486 HydrophobicContact CD1-CG1 3.88Å; Y484-I486 HydrophobicContact CE1-CG1 4.09Å; Y484-N547 PolarHBondContact OH-O 3.25Å; Y484-M548 HydrophobicContact CD1-CE 4.4Å; Y484-M548 HydrophobicContact CD1-SD 3.83Å; Y484-M548 HydrophobicContact CD2-CE 3.34Å; Y484-M548 HydrophobicContact CD2-SD 3.76Å; Y484-M548 HydrophobicContact CE1-CE 4.36Å; Y484-M548 HydrophobicContact CE1-SD 3.44Å; Y484-M548 WeakPolarHBondContact CE1-SD 2.95Å; Y484-M548 HydrophobicContact CE2-CE 3.29Å; Y484-M548 HydrophobicContact CE2-SD 3.37Å; Y484-M548 WeakPolarHBondContact CE2-SD 3.46Å; Y484-M548 HydrophobicContact CG-CE 3.94Å; Y484-M548 HydrophobicContact CG-SD 3.98Å; Y484-M548 WeakPolarHBondContact OH-CA 3.23Å
485K61.6Low63.8Low104 Ų10458 Ų5845%0.45233%0.325SS..PPolyproline II helixtrans-85.3127.7177.3-61.3-176.2-177.2179.30109.5G431 T433 R483G431-K485 VanDerWaalsContact O-CA 3.27Å; G431-K485 WeakPolarHBondContact O-CA 3.48Å; T433-K485 HydrophobicContact CG2-CB 3.44Å; T433-K485 VanDerWaalsContact CG2-CB 3.44Å; T433-K485 HydrophobicContact CG2-CD 3.7Å; T433-K485 HydrophobicContact CG2-CG 4.21Å; R483-K485 PolarHBondContact O-N 3.39Å
486I68.5Low66.1Low56 Ų5651 Ų5129%0.28729%0.288SS..EExtended strand (participates in β ladder)trans-97.7141.1-179.1-56177.4000108.3G431 T432 T433 Y484 L488G431-I486 PolarHBondContact O-N 3.21Å; G431-I486 VanDerWaalsContact O-N 3.1Å; T432-I486 CarbonylContact C-O 3.6Å; T432-I486 WeakPolarHBondContact CA-O 3.41Å; T433-I486 PolarHBondContact N-O 3.48Å; T433-I486 PolarHBondContact OG1-O 3.03Å; Y484-I486 HydrophobicContact CD1-CG1 3.88Å; Y484-I486 HydrophobicContact CE1-CG1 4.09Å; I486-L488 PolarHBondContact O-N 3.18Å
487P72.2Confident68.4Low25 Ų2549 Ų4916%0.16227%0.269CS..EExtended strand (participates in β ladder)trans-54.7138.217221.6-32.6000111.4T433 V435 S489 Y551T433-P487 WeakPolarHBondContact O-CA 3.35Å; V435-P487 HydrophobicContact CG2-CB 3.94Å; P487-S489 PolarHBondContact O-N 3.09Å; P487-Y551 HydrophobicContact CB-CD2 4.23Å; P487-Y551 HydrophobicContact CB-CE2 4Å; P487-Y551 HydrophobicContact CG-CD2 4.25Å; P487-Y551 HydrophobicContact CG-CE2 4.28Å
488L82.7Confident70.5Confident3 Ų345.8 Ų45.82%0.01625%0.246CC..PPolyproline II helixtrans-59.4130175.2-178.871.1000110.2L422 I425 A426 T433 R469 I486 N490L422-L488 HydrophobicContact CB-CD2 4.27Å; L422-L488 HydrophobicContact CD2-CD2 3.87Å; I425-L488 HydrophobicContact CB-CD2 3.81Å; I425-L488 HydrophobicContact CG2-CD1 4.36Å; I425-L488 HydrophobicContact CG2-CD2 3.65Å; A426-L488 HydrophobicContact CB-CB 4.13Å; A426-L488 HydrophobicContact CB-CD2 4.21Å; T433-L488 PolarHBondContact O-N 3.24Å; R469-L488 WeakPolarHBondContact O-CD1 3.19Å; I486-L488 PolarHBondContact O-N 3.18Å; L488-N490 PolarHBondContact O-N 2.99Å
489S85.4Confident72.5Confident15 Ų1546.3 Ų46.311%0.10524%0.244CC..EExtended strand (participates in β ladder)trans-65.2126.2-179.6-44.20000110.8Y468 R469 P487 S511 D513Y468-S489 WeakPolarHBondContact CA-O 3.2Å; R469-S489 PolarHBondContact N-O 3.21Å; R469-S489 VanDerWaalsContact N-O 3.07Å; P487-S489 PolarHBondContact O-N 3.09Å; S489-S511 VanDerWaalsContact CA-OG 3.25Å; S489-S511 WeakPolarHBondContact CA-OG 3.4Å; S489-S511 WeakPolarHBondContact CB-OG 3.3Å; S489-D513 VanDerWaalsContact CB-OD2 3.24Å; S489-D513 WeakPolarHBondContact CB-OD2 3.49Å; S489-D513 PolarHBondContact OG-OD2 3.34Å
490N87.8Confident74.7Confident6 Ų646.3 Ų46.33%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-143.9158.3-173.366.742.3000112.3F418 L422 V435 A467 L488 G510 S511 Y551F418-N490 HydrophobicContact CE1-CB 4.27Å; F418-N490 HydrophobicContact CZ-CB 4.23Å; L422-N490 HydrophobicContact CD1-CB 3.6Å; L422-N490 HydrophobicContact CD2-CB 4.28Å; V435-N490 WeakPolarHBondContact CG2-ND2 3.28Å; A467-N490 CarbonylContact O-C 3.58Å; A467-N490 WeakPolarHBondContact O-CA 3.13Å; L488-N490 PolarHBondContact O-N 2.99Å; N490-G510 CarbonylContact O-C 3.52Å; N490-G510 WeakPolarHBondContact O-CA 3.2Å; N490-S511 PolarHBondContact N-OG 2.63Å; N490-S511 VanDerWaalsContact N-OG 3.12Å; N490-S511 PolarHBondContact O-N 2.94Å; N490-S511 PolarHBondContact O-OG 3.26Å; N490-Y551 PolarHBondContact ND2-OH 3.35Å; N490-Y551 PolarHBondContact OD1-OH 3.22Å
491L87.7Confident76.5Confident3 Ų345.3 Ų45.32%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-146.2132.6178.4-173.8138.9000109.1C466 A467 A493 M514 V515 V518 F602C466-L491 WeakPolarHBondContact CA-O 3.39Å; A467-L491 HydrophobicContact CB-CB 4.43Å; A467-L491 PolarHBondContact N-O 3.33Å; A467-L491 PolarHBondContact O-N 3.04Å; L491-A493 HydrophobicContact CD2-CB 4.16Å; L491-M514 HydrophobicContact CB-CE 3.64Å; L491-M514 VanDerWaalsContact N-CE 3.31Å; L491-V515 HydrophobicContact CD1-CG2 4Å; L491-V518 HydrophobicContact CD1-CG2 4.38Å; L491-F602 HydrophobicContact CD2-CD1 4.07Å; L491-F602 HydrophobicContact CD2-CE1 3.47Å; L491-F602 VanDerWaalsContact CD2-CE1 3.47Å; L491-F602 HydrophobicContact CD2-CZ 4.3Å
492F88.4Confident78.2Confident3 Ų348.1 Ų48.11%0.01325%0.254CS..EExtended strand (participates in β ladder)trans-127.1119.8178.2-176.1-80.1000108.3N407 L411 Y415 F418 R438 V464 C466 T494 C508 Q509N407-F492 WeakPolarHBondContact OD1-CE1 3.35Å; L411-F492 HydrophobicContact CB-CZ 4.49Å; L411-F492 HydrophobicContact CD1-CE1 4.38Å; Y415-F492 AromaticContact CD2-CD2 3.79Å; Y415-F492 HydrophobicContact CD2-CD2 3.79Å; Y415-F492 AromaticContact CD2-CE2 3.94Å; Y415-F492 HydrophobicContact CD2-CE2 3.94Å; Y415-F492 HydrophobicContact CD2-CG 4.38Å; Y415-F492 HydrophobicContact CE2-CD2 4.41Å; F418-F492 HydrophobicContact CD1-CD2 4.1Å; R438-F492 VanDerWaalsContact NH1-CE1 3.3Å; V464-F492 HydrophobicContact CG1-CD2 4.44Å; V464-F492 HydrophobicContact CG1-CE1 4.3Å; V464-F492 HydrophobicContact CG1-CE2 3.67Å; V464-F492 HydrophobicContact CG1-CZ 3.59Å; C466-F492 WeakPolarHBondContact SG-CD2 3.49Å; F492-T494 HydrophobicContact CE1-CG2 3.78Å; F492-C508 CarbonylContact O-C 3.36Å; F492-Q509 PolarHBondContact N-O 3.48Å; F492-Q509 PolarHBondContact O-N 3.14Å
493A88.1Confident80Confident0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-124142.3-175.300000111.2L465 L491 M506 M507 C508 F602L465-A493 HydrophobicContact CB-CB 4.2Å; L465-A493 PolarHBondContact N-O 3.2Å; L465-A493 PolarHBondContact O-N 3.47Å; L491-A493 HydrophobicContact CD2-CB 4.16Å; A493-M506 HydrophobicContact CB-CE 3.64Å; A493-M506 HydrophobicContact CB-CG 4.47Å; A493-M507 WeakPolarHBondContact CA-O 3.23Å; A493-C508 HydrophobicContact CB-CB 4.3Å; A493-C508 WeakPolarHBondContact CB-SG 3.48Å; A493-F602 HydrophobicContact CB-CE1 4.37Å
494T89.2Confident81.6Confident0 Ų043.2 Ų43.20%023%0.227CC..EExtended strand (participates in β ladder)trans-120.6130.7172.248.60000110.5N407 L411 P462 T463 V464 F492 N496 M506 M507N407-T494 PolarHBondContact ND2-OG1 3.45Å; N407-T494 WeakPolarHBondContact OD1-CG2 3.31Å; N407-T494 PolarHBondContact OD1-OG1 2.92Å; L411-T494 HydrophobicContact CD1-CG2 3.39Å; P462-T494 HydrophobicContact CG-CG2 4.46Å; T463-T494 WeakPolarHBondContact O-CA 3.4Å; V464-T494 HydrophobicContact CG2-CG2 4.38Å; F492-T494 HydrophobicContact CE1-CG2 3.78Å; T494-N496 PolarHBondContact O-ND2 3.35Å; T494-N496 PolarHBondContact OG1-ND2 3Å; T494-M506 CarbonylContact O-C 3.6Å; T494-M506 WeakPolarHBondContact O-CA 3.27Å; T494-M507 PolarHBondContact N-O 3.45Å; T494-M507 PolarHBondContact O-N 3.5Å; T494-M507 PolarHBondContact OG1-O 3.04Å
495I88.9Confident83.2Confident3 Ų341.3 Ų41.32%0.01522%0.221CC..EExtended strand (participates in β ladder)trans-104.5111.5177.8-67.4-178.6000106.9T463 L465 V504 M506 L560T463-I495 PolarHBondContact N-O 3.24Å; T463-I495 PolarHBondContact O-N 2.85Å; L465-I495 HydrophobicContact CD1-CD1 3.43Å; L465-I495 VanDerWaalsContact CD1-CD1 3.43Å; L465-I495 HydrophobicContact CD1-CG1 4.23Å; L465-I495 HydrophobicContact CG-CD1 4.32Å; I495-V504 HydrophobicContact CB-CG1 4.42Å; I495-V504 HydrophobicContact CG2-CG1 3.16Å; I495-M506 HydrophobicContact CG1-CB 4.25Å; I495-M506 HydrophobicContact CG1-CG 4Å; I495-M506 HydrophobicContact CG1-SD 4.4Å; I495-L560 HydrophobicContact CD1-CD1 4.17Å; I495-L560 HydrophobicContact CG1-CD1 4.46Å
496N88.7Confident84.4Confident0 Ų036.4 Ų36.40%020%0.199CC..EExtended strand (participates in β ladder)trans-114.9122.5-174.7-66.4-92.9000109.5L406 F458 P462 T494 Q505L406-N496 HydrophobicContact CD1-CB 4.39Å; F458-N496 HydrophobicContact CB-CB 4.21Å; F458-N496 HydrophobicContact CD1-CB 3.75Å; F458-N496 HydrophobicContact CE1-CB 4.48Å; F458-N496 HydrophobicContact CG-CB 4.16Å; P462-N496 WeakPolarHBondContact CB-OD1 3.49Å; T494-N496 PolarHBondContact O-ND2 3.35Å; T494-N496 PolarHBondContact OG1-ND2 3Å; N496-Q505 PolarHBondContact N-O 2.88Å; N496-Q505 PolarHBondContact O-N 3.39Å
497K87.7Confident85.3Confident70 Ų7033.8 Ų33.830%0.30419%0.186SC..EExtended strand (participates in β ladder)trans-79.9123.9175.1-177.3166.5157.7-136.10109.7F458 E459 V504 A565F458-K497 CarbonylContact C-O 3.36Å; F458-K497 VanDerWaalsContact CA-O 3.32Å; F458-K497 WeakPolarHBondContact CA-O 3.49Å; E459-K497 HydrophobicContact CB-CB 4.14Å; E459-K497 PolarHBondContact N-O 3.08Å; E459-K497 VanDerWaalsContact OE2-CD 3.29Å; E459-K497 WeakPolarHBondContact OE2-CD 3.35Å; E459-K497 WeakPolarHBondContact OE2-CE 3.45Å; E459-K497 IonicContact OE2-NZ 2.74Å; E459-K497 PolarHBondContact OE2-NZ 2.71Å; K497-V504 HydrophobicContact CB-CG2 4.4Å; K497-V504 HydrophobicContact CG-CG2 4.39Å; K497-A565 HydrophobicContact CD-CB 4.45Å
498D86.6Confident86.1Confident23 Ų2332.6 Ų32.612%0.12318%0.178CC..BIsolated β-bridgetrans-75.4132.5176.1-178.3-4000109.2F458 A500 S501 Y503F458-D498 HydrophobicContact CD1-CB 4.33Å; F458-D498 HydrophobicContact CE1-CB 4.23Å; D498-A500 VanDerWaalsContact C-N 3.33Å; D498-A500 PolarHBondContact OD1-N 3.41Å; D498-S501 VanDerWaalsContact CB-OG 3.32Å; D498-S501 WeakPolarHBondContact CB-OG 3.44Å; D498-S501 VanDerWaalsContact O-O 3.08Å; D498-S501 VanDerWaalsContact OD2-CB 3.31Å; D498-S501 WeakPolarHBondContact OD2-CB 3.2Å; D498-S501 PolarHBondContact OD2-OG 2.94Å; D498-Y503 PolarHBondContact N-O 2.93Å
499K85.3Confident86.3Confident137 Ų13732.6 Ų32.660%0.59618%0.178SC*.SBendtrans-74.9-25.3178-67.9175.8-179164.70112.5T456 Q457 F458T456-K499 WeakPolarHBondContact O-CD 3.43Å; T456-K499 WeakPolarHBondContact O-CE 3.46Å; T456-K499 PolarHBondContact O-NZ 3.39Å; Q457-K499 VanDerWaalsContact O-CB 3.26Å; Q457-K499 WeakPolarHBondContact O-CB 3.3Å; Q457-K499 VanDerWaalsContact O-CG 3.3Å; Q457-K499 WeakPolarHBondContact O-CG 3.3Å; Q457-K499 PolarHBondContact O-N 2.8Å; F458-K499 WeakPolarHBondContact O-CE 3.45Å; F458-K499 PolarHBondContact O-NZ 3.05Å
500A82.3Confident86.2Confident97 Ų9731.9 Ų31.980%0.80217%0.173SC*.SBendtrans-95.4-19.4-174.800000113.2D498D498-A500 VanDerWaalsContact C-N 3.33Å; D498-A500 PolarHBondContact OD1-N 3.41Å
501S79.8Confident85.9Confident40 Ų4032.1 Ų32.128%0.2818%0.175SC..SBendtrans-123.1159.6-178.975.50000112.6D498 Y503D498-S501 VanDerWaalsContact CB-OG 3.32Å; D498-S501 WeakPolarHBondContact CB-OG 3.44Å; D498-S501 VanDerWaalsContact O-O 3.08Å; D498-S501 VanDerWaalsContact OD2-CB 3.31Å; D498-S501 WeakPolarHBondContact OD2-CB 3.2Å; D498-S501 PolarHBondContact OD2-OG 2.94Å; S501-Y503 PolarHBondContact O-N 2.93Å
502C78.1Confident85.6Confident106 Ų10632.2 Ų32.272%0.71618%0.177SC*.SBendtrans-82.519.9174.6-600000112.7L562C502-L562 VanDerWaalsContact C-CD1 3.45Å; C502-L562 WeakPolarHBondContact O-CD1 3.3Å
503Y83.1Confident85.2Confident145 Ų14535 Ų3557%0.56919%0.191SC*.EExtended strand (participates in β ladder)trans-115.5158-178.5-66.4-77.4000110.8D498 S501D498-Y503 PolarHBondContact N-O 2.93Å; S501-Y503 PolarHBondContact O-N 2.93Å
504V86.9Confident85Confident0 Ų035.1 Ų35.10%019%0.192CC..EExtended strand (participates in β ladder)trans-112.2140.2175.2-1790000107.2I495 K497 P559 L560 L562 A565I495-V504 HydrophobicContact CB-CG1 4.42Å; I495-V504 HydrophobicContact CG2-CG1 3.16Å; K497-V504 HydrophobicContact CB-CG2 4.4Å; K497-V504 HydrophobicContact CG-CG2 4.39Å; V504-P559 CarbonylContact O-C 3.57Å; V504-L560 HydrophobicContact CB-CB 4.36Å; V504-L560 PolarHBondContact N-O 3.01Å; V504-L560 PolarHBondContact O-N 3.35Å; V504-L562 HydrophobicContact CG2-CD1 4.42Å; V504-A565 HydrophobicContact CG1-CB 4.32Å; V504-A565 HydrophobicContact CG2-CB 3.84Å
505Q87.7Confident84.7Confident32 Ų3235.1 Ų35.115%0.1519%0.192CC..EExtended strand (participates in β ladder)trans-109118.7-178.4-66.4-155.611.700110.3F458 N496 M507 Y557F458-Q505 HydrophobicContact CE1-CB 4.3Å; F458-Q505 HydrophobicContact CE1-CG 4.26Å; N496-Q505 PolarHBondContact N-O 2.88Å; N496-Q505 PolarHBondContact O-N 3.39Å; Q505-M507 HydrophobicContact CB-CE 4.36Å; Q505-Y557 HydrophobicContact CB-CE2 3.96Å; Q505-Y557 HydrophobicContact CG-CE2 3.98Å
506M87.4Confident84.4Confident0 Ų035.4 Ų35.40%019%0.194CC..EExtended strand (participates in β ladder)trans-94.8125.1173.4-173.6172.6-178.400109.8L465 A493 T494 I495 C508 Y557 R558 L560 F602L465-M506 HydrophobicContact CD1-CE 4.22Å; A493-M506 HydrophobicContact CB-CE 3.64Å; A493-M506 HydrophobicContact CB-CG 4.47Å; T494-M506 CarbonylContact O-C 3.6Å; T494-M506 WeakPolarHBondContact O-CA 3.27Å; I495-M506 HydrophobicContact CG1-CB 4.25Å; I495-M506 HydrophobicContact CG1-CG 4Å; I495-M506 HydrophobicContact CG1-SD 4.4Å; M506-C508 VanDerWaalsContact CE-SG 3.55Å; M506-Y557 WeakPolarHBondContact O-CA 3.08Å; M506-Y557 WeakPolarHBondContact O-CD2 3.48Å; M506-R558 HydrophobicContact CB-CB 4.45Å; M506-R558 WeakPolarHBondContact CB-O 3.47Å; M506-R558 PolarHBondContact N-O 3.37Å; M506-R558 PolarHBondContact O-N 3.39Å; M506-L560 HydrophobicContact CB-CD1 3.8Å; M506-L560 HydrophobicContact CB-CG 4.17Å; M506-L560 HydrophobicContact CG-CD1 4.35Å; M506-L560 HydrophobicContact SD-CD1 3.73Å; M506-F602 HydrophobicContact CE-CD1 3.48Å; M506-F602 VanDerWaalsContact CE-CD1 3.48Å; M506-F602 HydrophobicContact CE-CE1 3.14Å; M506-F602 HydrophobicContact CE-CG 4.39Å; M506-F602 HydrophobicContact CE-CZ 3.82Å
507M88.3Confident84Confident2 Ų239.2 Ų39.21%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-120.7112.9179.6-64.9-67.717500109.4L402 N403 L406 N407 A493 T494 Q505 Y557L402-M507 HydrophobicContact CD2-CE 3.63Å; L402-M507 HydrophobicContact CG-CE 3.99Å; N403-M507 HydrophobicContact CB-CB 4.4Å; N403-M507 HydrophobicContact CB-SD 3.87Å; L406-M507 HydrophobicContact CB-CG 4.46Å; L406-M507 HydrophobicContact CD1-CE 4.15Å; L406-M507 HydrophobicContact CD1-CG 3.85Å; N407-M507 PolarHBondContact ND2-O 3.3Å; A493-M507 WeakPolarHBondContact CA-O 3.23Å; T494-M507 PolarHBondContact N-O 3.45Å; T494-M507 PolarHBondContact O-N 3.5Å; T494-M507 PolarHBondContact OG1-O 3.04Å; Q505-M507 HydrophobicContact CB-CE 4.36Å; M507-Y557 HydrophobicContact CE-CD2 3.3Å; M507-Y557 HydrophobicContact CE-CE2 3.66Å; M507-Y557 HydrophobicContact CE-CG 4.22Å; M507-Y557 HydrophobicContact SD-CD2 3.55Å; M507-Y557 VanDerWaalsContact SD-CD2 3.55Å; M507-Y557 HydrophobicContact SD-CE2 4.46Å; M507-Y557 HydrophobicContact SD-CG 4.19Å
508C87.2Confident83.6Confident0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-108.2141.7-173.9-66.90000111.1N403 F492 A493 M506 L555 S556 E605N403-C508 PolarHBondContact ND2-N 2.75Å; N403-C508 PolarHBondContact ND2-O 3.18Å; F492-C508 CarbonylContact O-C 3.36Å; A493-C508 HydrophobicContact CB-CB 4.3Å; A493-C508 WeakPolarHBondContact CB-SG 3.48Å; M506-C508 VanDerWaalsContact CE-SG 3.55Å; C508-L555 WeakPolarHBondContact O-CA 3.48Å; C508-S556 WeakPolarHBondContact CB-OG 3.42Å; C508-S556 PolarHBondContact N-O 2.64Å; C508-S556 PolarHBondContact O-N 3.32Å; C508-E605 PolarHBondContact SG-OE1 3.45Å
509Q86.9Confident83.5Confident3 Ų336 Ų361%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-134.8131172.2-41.4-160.3-34.400109.1N403 N407 R438 F492 L553 A554 L555N403-Q509 VanDerWaalsContact OD1-CG 3.23Å; N403-Q509 WeakPolarHBondContact OD1-CG 3.5Å; N403-Q509 PolarHBondContact OD1-NE2 3.19Å; N407-Q509 VanDerWaalsContact CB-CD 3.49Å; N407-Q509 HydrophobicContact CB-CG 4.03Å; N407-Q509 VanDerWaalsContact CB-NE2 3.28Å; N407-Q509 WeakPolarHBondContact ND2-CG 3.41Å; R438-Q509 VanDerWaalsContact CZ-OE1 3.31Å; R438-Q509 VanDerWaalsContact NE-OE1 3.1Å; R438-Q509 VanDerWaalsContact NH2-CD 3.27Å; F492-Q509 PolarHBondContact N-O 3.48Å; F492-Q509 PolarHBondContact O-N 3.14Å; Q509-L553 HydrophobicContact CB-CD1 4.02Å; Q509-L553 HydrophobicContact CB-CD2 4.3Å; Q509-L553 HydrophobicContact CB-CG 4.3Å; Q509-A554 WeakPolarHBondContact CA-O 3.31Å; Q509-L555 HydrophobicContact CB-CD2 3.66Å; Q509-L555 HydrophobicContact CG-CD2 3.47Å; Q509-L555 VanDerWaalsContact CG-CD2 3.47Å
510G84.3Confident83.3Confident0 Ų035.3 Ų35.30%020%0.195CC..EExtended strand (participates in β ladder)trans-166.3-174.2-177.500000113.9N490 A554N490-G510 CarbonylContact O-C 3.52Å; N490-G510 WeakPolarHBondContact O-CA 3.2Å; G510-A554 PolarHBondContact N-O 3.43Å; G510-A554 PolarHBondContact O-N 3.11Å
511S82.4Confident83.5Confident10 Ų1035.4 Ų35.47%0.0718%0.175CC..  trans-66143.6170.163.80000110.3S489 N490 D513 M514 V515S489-S511 VanDerWaalsContact CA-OG 3.25Å; S489-S511 WeakPolarHBondContact CA-OG 3.4Å; S489-S511 WeakPolarHBondContact CB-OG 3.3Å; N490-S511 PolarHBondContact N-OG 2.63Å; N490-S511 VanDerWaalsContact N-OG 3.12Å; N490-S511 PolarHBondContact O-N 2.94Å; N490-S511 PolarHBondContact O-OG 3.26Å; S511-D513 WeakPolarHBondContact CB-OD1 3.49Å; S511-D513 PolarHBondContact O-N 3.26Å; S511-D513 PolarHBondContact OG-OD1 3.01Å; S511-M514 PolarHBondContact O-N 2.99Å; S511-M514 VanDerWaalsContact O-N 3.16Å; S511-V515 WeakPolarHBondContact O-CG2 3.28Å; S511-V515 PolarHBondContact O-N 3.15Å
512A81.1Confident83.7Confident6 Ų633.7 Ų33.75%0.0516%0.163CC..Hα-helixtrans-57.7-36-174.300000112.9L516 V539 S543 A554A512-L516 WeakPolarHBondContact O-CB 3.24Å; A512-L516 VanDerWaalsContact O-CD1 3.31Å; A512-L516 WeakPolarHBondContact O-CD1 3.1Å; A512-L516 WeakPolarHBondContact O-CG 3.4Å; A512-L516 PolarHBondContact O-N 3.09Å; A512-V539 HydrophobicContact CB-CG1 4.48Å; A512-S543 WeakPolarHBondContact CB-OG 3.43Å; A512-A554 HydrophobicContact CB-CB 4.29Å
513D79.8Confident84Confident60 Ų6031.2 Ų31.232%0.32114%0.139SC..Hα-helixtrans-65.3-42.617864-36.3000113.2S489 S511 D517S489-D513 VanDerWaalsContact CB-OD2 3.24Å; S489-D513 WeakPolarHBondContact CB-OD2 3.49Å; S489-D513 PolarHBondContact OG-OD2 3.34Å; S511-D513 WeakPolarHBondContact CB-OD1 3.49Å; S511-D513 PolarHBondContact O-N 3.26Å; S511-D513 PolarHBondContact OG-OD1 3.01Å; D513-D517 VanDerWaalsContact O-CG 3.25Å; D513-D517 PolarHBondContact O-N 3.27Å
514M82.8Confident83.8Confident3 Ų324.6 Ų24.62%0.01511%0.113CC..Hα-helixtrans-73.3-42.5177.3-91-130.3-72.600112.8A467 R469 L491 S511 D517 L575A467-M514 WeakPolarHBondContact O-CE 3.4Å; R469-M514 HydrophobicContact CB-CG 4.24Å; R469-M514 HydrophobicContact CB-SD 3.88Å; L491-M514 HydrophobicContact CB-CE 3.64Å; L491-M514 VanDerWaalsContact N-CE 3.31Å; S511-M514 PolarHBondContact O-N 2.99Å; S511-M514 VanDerWaalsContact O-N 3.16Å; M514-D517 PolarHBondContact O-N 3.45Å; M514-L575 HydrophobicContact SD-CD1 4Å
515V84.1Confident83.5Confident0 Ų024.8 Ų24.80%012%0.115CC..Hα-helixtrans-66.8-38.5-179.1176.20000111.1L491 S511 D517 V518 C519 A554 L607L491-V515 HydrophobicContact CD1-CG2 4Å; S511-V515 WeakPolarHBondContact O-CG2 3.28Å; S511-V515 PolarHBondContact O-N 3.15Å; V515-D517 VanDerWaalsContact C-N 3.3Å; V515-D517 PolarHBondContact O-N 2.7Å; V515-V518 WeakPolarHBondContact O-CG2 3.38Å; V515-V518 PolarHBondContact O-N 3.44Å; V515-C519 WeakPolarHBondContact O-CB 3.22Å; V515-C519 PolarHBondContact O-N 2.78Å; V515-C519 VanDerWaalsContact O-N 3.15Å; V515-C519 PolarHBondContact O-SG 3.45Å; V515-A554 HydrophobicContact CB-CB 3.64Å; V515-A554 HydrophobicContact CG1-CB 3.83Å; V515-A554 HydrophobicContact CG2-CB 3.86Å; V515-L607 HydrophobicContact CG1-CD1 3.91Å
516L83Confident83.2Confident9 Ų931.4 Ų31.45%0.04715%0.146CC..Hα-helixtrans-66.5-30.4178.2-74.8171.1000113.4A512 V518 L531 V536 V539 Q540 L607A512-L516 WeakPolarHBondContact O-CB 3.24Å; A512-L516 VanDerWaalsContact O-CD1 3.31Å; A512-L516 WeakPolarHBondContact O-CD1 3.1Å; A512-L516 WeakPolarHBondContact O-CG 3.4Å; A512-L516 PolarHBondContact O-N 3.09Å; L516-V518 VanDerWaalsContact C-N 3.25Å; L516-V518 PolarHBondContact O-N 2.99Å; L516-L531 HydrophobicContact CD2-CD2 4.28Å; L516-V536 HydrophobicContact CD1-CG1 4.4Å; L516-V539 HydrophobicContact CD1-CB 3.89Å; L516-V539 HydrophobicContact CD1-CG1 3.75Å; L516-V539 HydrophobicContact CD2-CB 4.11Å; L516-V539 HydrophobicContact CD2-CG1 4.1Å; L516-V539 HydrophobicContact CD2-CG2 4.32Å; L516-V539 HydrophobicContact CG-CG1 4.21Å; L516-Q540 HydrophobicContact CD1-CG 3.8Å; L516-L607 HydrophobicContact CD2-CD1 4.25Å; L516-L607 HydrophobicContact CD2-CD2 3.74Å
517D79.3Confident83Confident81 Ų8133.6 Ų33.643%0.43316%0.164SC..Hα-helixtrans-68.8-27.1178.9-74.4-12.6000112.6R469 D513 M514 V515R469-D517 IonicContact CZ-OD2 3.43Å; R469-D517 IonicContact NH1-OD2 3.97Å; R469-D517 PolarHBondContact NH1-OD2 3.01Å; R469-D517 IonicContact NH2-OD2 3.51Å; R469-D517 PolarHBondContact NH2-OD2 3.08Å; D513-D517 VanDerWaalsContact O-CG 3.25Å; D513-D517 PolarHBondContact O-N 3.27Å; M514-D517 PolarHBondContact O-N 3.45Å; V515-D517 VanDerWaalsContact C-N 3.3Å; V515-D517 PolarHBondContact O-N 2.7Å
518V79.8Confident82.8Confident17 Ų1736.2 Ų36.210%0.10319%0.186CC..Hα-helixtrans-96.5-18.9-177.9-62.30000112.9L491 V515 L516 F602 D604 E605L491-V518 HydrophobicContact CD1-CG2 4.38Å; V515-V518 WeakPolarHBondContact O-CG2 3.38Å; V515-V518 PolarHBondContact O-N 3.44Å; L516-V518 VanDerWaalsContact C-N 3.25Å; L516-V518 PolarHBondContact O-N 2.99Å; V518-F602 HydrophobicContact CB-CB 4.27Å; V518-F602 WeakPolarHBondContact CB-O 3.28Å; V518-F602 HydrophobicContact CG1-CB 3.92Å; V518-D604 PolarHBondContact O-N 2.97Å; V518-E605 WeakPolarHBondContact CG2-OE2 3.36Å; V518-E605 PolarHBondContact O-N 2.88Å
519C83.1Confident82.7Confident9 Ų939 Ų396%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-84.1128.3-179.7-69.30000113.1V515 S556 E605 L607V515-C519 WeakPolarHBondContact O-CB 3.22Å; V515-C519 PolarHBondContact O-N 2.78Å; V515-C519 VanDerWaalsContact O-N 3.15Å; V515-C519 PolarHBondContact O-SG 3.45Å; C519-S556 VanDerWaalsContact SG-CB 3.5Å; C519-E605 CarbonylContact C-O 3.55Å; C519-E605 VanDerWaalsContact CA-O 3.24Å; C519-E605 WeakPolarHBondContact CA-O 3.42Å; C519-L607 HydrophobicContact CB-CB 3.9Å
520R82.1Confident82.6Confident122 Ų12242.8 Ų42.846%0.4622%0.221SC..EExtended strand (participates in β ladder)trans-109.3-18.8171.6-64.8-145.1-170.1126-9114L531 F603 D604 E605R520-L531 WeakPolarHBondContact O-CB 3.45Å; R520-L531 PolarHBondContact O-N 3.46Å; R520-F603 VanDerWaalsContact NH2-CD1 3.3Å; R520-D604 WeakPolarHBondContact CD-OD1 3.35Å; R520-D604 WeakPolarHBondContact CG-OD1 3.47Å; R520-D604 IonicContact CZ-OD1 2.65Å; R520-D604 IonicContact NE-OD1 2.74Å; R520-D604 IonicContact NH1-OD1 3.94Å; R520-D604 PolarHBondContact NH1-OD1 3.21Å; R520-D604 IonicContact NH1-OD2 3.07Å; R520-D604 PolarHBondContact NH1-OD2 3.16Å; R520-D604 VanDerWaalsContact NH1-OD2 3.16Å; R520-E605 PolarHBondContact N-O 2.9Å
521Y86Confident82.5Confident98 Ų9844 Ų4438%0.38423%0.228SC..EExtended strand (participates in β ladder)trans-120.8161.6-179.1-59.5-90.2000110.1R529 D604 E605 L606 L607Y521-R529 CarbonylContact C-O 3.55Å; Y521-R529 WeakPolarHBondContact CA-O 3.5Å; Y521-R529 WeakPolarHBondContact CB-O 3.45Å; Y521-D604 HydrophobicContact CE2-CB 4.43Å; Y521-E605 PolarHBondContact N-O 3.02Å; Y521-L606 VanDerWaalsContact CB-CD1 3.41Å; Y521-L607 WeakPolarHBondContact O-CB 2.97Å; Y521-L607 PolarHBondContact O-N 3.11Å
522Y84.8Confident82.7Confident5 Ų548 Ų482%0.0225%0.249CC..EExtended strand (participates in β ladder)trans-126.7150.8166.473.2-89.2000110.4F341 D524 R529 P530 L531 H535 L606 L607F341-Y522 HydrophobicContact CB-CD2 3.25Å; F341-Y522 HydrophobicContact CB-CE2 3.58Å; F341-Y522 HydrophobicContact CB-CG 4.09Å; F341-Y522 HydrophobicContact CD2-CD2 4.24Å; F341-Y522 HydrophobicContact CD2-CG 4.26Å; F341-Y522 AromaticContact CG-CD2 3.85Å; F341-Y522 HydrophobicContact CG-CD2 3.85Å; F341-Y522 HydrophobicContact CG-CE2 4.31Å; F341-Y522 HydrophobicContact CG-CG 4.21Å; Y522-D524 HydrophobicContact CD2-CB 4.37Å; Y522-D524 HydrophobicContact CE2-CB 3.82Å; Y522-R529 HydrophobicContact CD1-CB 3.97Å; Y522-R529 WeakPolarHBondContact CD1-O 3.43Å; Y522-R529 HydrophobicContact CE1-CB 3.46Å; Y522-R529 VanDerWaalsContact CE1-CB 3.46Å; Y522-R529 HydrophobicContact CE2-CB 4.16Å; Y522-R529 PolarHBondContact N-O 3.32Å; Y522-R529 PolarHBondContact O-N 3.47Å; Y522-P530 WeakPolarHBondContact CE1-O 3.22Å; Y522-L531 HydrophobicContact CD1-CD1 4.23Å; Y522-L531 HydrophobicContact CG-CD1 4.47Å; Y522-H535 AromaticContact CD1-ND1 3.88Å; Y522-H535 AromaticContact CE1-CE1 3.59Å; Y522-H535 AromaticContact CE1-ND1 3.61Å; Y522-H535 AromaticContact CZ-CE1 3.98Å; Y522-L606 WeakPolarHBondContact O-CD1 3.16Å; Y522-L607 WeakPolarHBondContact CA-O 3.35Å
523W83.9Confident82.8Confident54 Ų5456.1 Ų56.121%0.20529%0.285CS..EExtended strand (participates in β ladder)trans-87125.9174.5-175.5-113.3000110.6S395 P399 E526 A527 L606 L607S395-W523 PolarHBondContact O-NE1 2.88Å; P399-W523 HydrophobicContact CG-CD2 4.29Å; P399-W523 HydrophobicContact CG-CG 4.07Å; W523-E526 WeakPolarHBondContact CH2-O 3.31Å; W523-A527 VanDerWaalsContact CE3-C 3.49Å; W523-A527 VanDerWaalsContact CZ3-C 3.49Å; W523-L606 HydrophobicContact CB-CD1 4.48Å; W523-L606 HydrophobicContact CB-CD2 4.01Å; W523-L606 HydrophobicContact CB-CG 4.24Å; W523-L606 HydrophobicContact CD2-CD2 4.44Å; W523-L606 HydrophobicContact CE3-CD2 3.92Å; W523-L607 PolarHBondContact N-O 3.07Å
524D80Confident83.1Confident6 Ų659.1 Ų59.13%0.03230%0.301CS..  trans-102.26.3179.979.1-16000114H396 Y522 E526 A527 R529H396-D524 PolarHBondContact CD2-O 3.28Å; H396-D524 PolarHBondContact NE2-O 3.19Å; Y522-D524 HydrophobicContact CD2-CB 4.37Å; Y522-D524 HydrophobicContact CE2-CB 3.82Å; D524-E526 PolarHBondContact OD1-N 2.89Å; D524-A527 PolarHBondContact N-O 3.4Å; D524-A527 PolarHBondContact OD1-N 2.91Å; D524-R529 IonicContact OD2-CZ 3.88Å; D524-R529 IonicContact OD2-NE 3.6Å; D524-R529 PolarHBondContact OD2-NE 3.1Å; D524-R529 IonicContact OD2-NH2 2.84Å; D524-R529 PolarHBondContact OD2-NH2 3.36Å
525G79.5Confident83.1Confident4 Ų459.2 Ų59.24%0.04130%0.302CS..SBendtrans99.5-20.1-174.200000115.2S395S395-G525 VanDerWaalsContact CB-O 3.29Å; S395-G525 WeakPolarHBondContact CB-O 3.45Å; S395-G525 PolarHBondContact OG-O 2.96Å
526E82.6Confident83Confident170 Ų17061.1 Ų61.179%0.79431%0.313SS*.SBendtrans-126.4-40.2179.6-68.1-173.7167.300112.7W523 D524W523-E526 WeakPolarHBondContact CH2-O 3.31Å; D524-E526 PolarHBondContact OD1-N 2.89Å
527A82.9Confident83.1Confident47 Ų4766.2 Ų66.239%0.38834%0.335SS..SBendtrans-145.2159.5-175.300000113W523 D524W523-A527 VanDerWaalsContact CE3-C 3.49Å; W523-A527 VanDerWaalsContact CZ3-C 3.49Å; D524-A527 PolarHBondContact N-O 3.4Å; D524-A527 PolarHBondContact OD1-N 2.91Å
528A82.8Confident83.3Confident57 Ų5767.2 Ų67.247%0.47133%0.333SS..EExtended strand (participates in β ladder)trans-76.6123.4169.200000110.3L606A528-L606 HydrophobicContact CB-CD1 3.44Å; A528-L606 VanDerWaalsContact CB-CD1 3.44Å; A528-L606 HydrophobicContact CB-CD2 4.37Å
529R85Confident83.5Confident58 Ų5866.5 Ų66.522%0.21933%0.328CS..EExtended strand (participates in β ladder)trans-118.1150179.1-67.5-162.7-174.5-158.88.7112S343 Y521 Y522 D524S343-R529 PolarHBondContact OG-NH1 2.8Å; S343-R529 PolarHBondContact OG-NH2 3Å; Y521-R529 CarbonylContact C-O 3.55Å; Y521-R529 WeakPolarHBondContact CA-O 3.5Å; Y521-R529 WeakPolarHBondContact CB-O 3.45Å; Y522-R529 HydrophobicContact CD1-CB 3.97Å; Y522-R529 WeakPolarHBondContact CD1-O 3.43Å; Y522-R529 HydrophobicContact CE1-CB 3.46Å; Y522-R529 VanDerWaalsContact CE1-CB 3.46Å; Y522-R529 HydrophobicContact CE2-CB 4.16Å; Y522-R529 PolarHBondContact N-O 3.32Å; Y522-R529 PolarHBondContact O-N 3.47Å; D524-R529 IonicContact OD2-CZ 3.88Å; D524-R529 IonicContact OD2-NE 3.6Å; D524-R529 PolarHBondContact OD2-NE 3.1Å; D524-R529 IonicContact OD2-NH2 2.84Å; D524-R529 PolarHBondContact OD2-NH2 3.36Å
530P85.1Confident83.4Confident82 Ų8269.8 Ų69.853%0.53234%0.343SS..EExtended strand (participates in β ladder)trans-65.4138.2-179.526.3-33.9000112.4Y522Y522-P530 WeakPolarHBondContact CE1-O 3.22Å
531L82.9Confident83.3Confident27 Ų2767 Ų6714%0.14134%0.337CS..PPolyproline II helixtrans-83.9120.1178.6-165.979.8000110.2F341 L516 R520 Y522 H535 V536 L607F341-L531 HydrophobicContact CE2-CD1 4.35Å; L516-L531 HydrophobicContact CD2-CD2 4.28Å; R520-L531 WeakPolarHBondContact O-CB 3.45Å; R520-L531 PolarHBondContact O-N 3.46Å; Y522-L531 HydrophobicContact CD1-CD1 4.23Å; Y522-L531 HydrophobicContact CG-CD1 4.47Å; L531-H535 HydrophobicContact CD1-CB 3.54Å; L531-H535 HydrophobicContact CG-CB 4.07Å; L531-V536 HydrophobicContact CD2-CG2 3.59Å; L531-V536 HydrophobicContact CG-CG2 4.04Å; L531-L607 HydrophobicContact CD1-CD2 4.03Å
532N85.6Confident83Confident94 Ų9463.3 Ų63.350%0.50332%0.323SS..PPolyproline II helixtrans-96164.4177.3-70.1-22.3000111.7N534 H535 V536N532-N534 PolarHBondContact O-N 3.01Å; N532-N534 VanDerWaalsContact O-N 3.13Å; N532-H535 WeakPolarHBondContact O-CB 3.46Å; N532-H535 PolarHBondContact O-N 3.01Å; N532-V536 PolarHBondContact O-N 2.92Å; N532-V536 VanDerWaalsContact O-N 3.15Å
533Q84.5Confident82.6Confident176 Ų17663.4 Ų63.482%0.82232%0.324SS*.Hα-helixtrans-56.4-31.8176.7-70.3-174.9-000113.5H535 V536 K537Q533-H535 VanDerWaalsContact C-N 3.34Å; Q533-H535 PolarHBondContact O-N 3.25Å; Q533-V536 PolarHBondContact O-N 3.31Å; Q533-K537 WeakPolarHBondContact O-CB 3.41Å; Q533-K537 PolarHBondContact O-N 3.43Å
534N84.7Confident82.3Confident122 Ų12265.8 Ų65.865%0.65234%0.341SS*.Hα-helixtrans-63.9-38.1174.5-76.7-14.8000112.4N532 R538N532-N534 PolarHBondContact O-N 3.01Å; N532-N534 VanDerWaalsContact O-N 3.13Å; N534-R538 WeakPolarHBondContact O-CG 3.46Å; N534-R538 PolarHBondContact O-N 3.09Å; N534-R538 VanDerWaalsContact O-N 3.09Å
535H82.9Confident81.9Confident6 Ų674.1 Ų74.13%0.02837%0.372CS..Hα-helixtrans-68.4-47.4176.8-61.8153000110.9F341 D344 Y522 L531 N532 Q533 K537 R538 V539F341-H535 HydrophobicContact CE1-CB 3.77Å; F341-H535 AromaticContact CE1-CD2 3.67Å; F341-H535 AromaticContact CE1-CG 3.83Å; F341-H535 HydrophobicContact CE2-CB 4.49Å; F341-H535 HydrophobicContact CZ-CB 3.65Å; D344-H535 IonicContact OD2-CE1 2.7Å; D344-H535 PolarHBondContact OD2-CE1 3.01Å; D344-H535 IonicContact OD2-NE2 3.16Å; D344-H535 PolarHBondContact OD2-NE2 2.78Å; Y522-H535 AromaticContact CD1-ND1 3.88Å; Y522-H535 AromaticContact CE1-CE1 3.59Å; Y522-H535 AromaticContact CE1-ND1 3.61Å; Y522-H535 AromaticContact CZ-CE1 3.98Å; L531-H535 HydrophobicContact CD1-CB 3.54Å; L531-H535 HydrophobicContact CG-CB 4.07Å; N532-H535 WeakPolarHBondContact O-CB 3.46Å; N532-H535 PolarHBondContact O-N 3.01Å; Q533-H535 VanDerWaalsContact C-N 3.34Å; Q533-H535 PolarHBondContact O-N 3.25Å; H535-K537 VanDerWaalsContact C-N 3.31Å; H535-K537 PolarHBondContact O-N 3.05Å; H535-R538 PolarHBondContact O-N 2.91Å; H535-R538 VanDerWaalsContact O-N 3.14Å; H535-V539 PolarHBondContact O-N 3.32Å; H535-V539 VanDerWaalsContact O-N 3.09Å
536V83.4Confident81.5Confident39 Ų3975.6 Ų75.624%0.23638%0.378CS..Hα-helixtrans-54.6-48.9175.5177.30000110.6L516 L531 N532 Q533 R538 V539 Q540L516-V536 HydrophobicContact CD1-CG1 4.4Å; L531-V536 HydrophobicContact CD2-CG2 3.59Å; L531-V536 HydrophobicContact CG-CG2 4.04Å; N532-V536 PolarHBondContact O-N 2.92Å; N532-V536 VanDerWaalsContact O-N 3.15Å; Q533-V536 PolarHBondContact O-N 3.31Å; V536-R538 VanDerWaalsContact C-N 3.35Å; V536-R538 PolarHBondContact O-N 2.95Å; V536-V539 PolarHBondContact O-N 2.92Å; V536-Q540 HydrophobicContact CG1-CG 4.41Å; V536-Q540 WeakPolarHBondContact O-CG 2.99Å; V536-Q540 PolarHBondContact O-N 3.12Å
537K85Confident80.8Confident116 Ų11669 Ų6950%0.50435%0.348SS..Hα-helixtrans-61.3-40.2179.3-171.2174.1-178.1174.50112.5Q533 H535 Q540 D541Q533-K537 WeakPolarHBondContact O-CB 3.41Å; Q533-K537 PolarHBondContact O-N 3.43Å; H535-K537 VanDerWaalsContact C-N 3.31Å; H535-K537 PolarHBondContact O-N 3.05Å; K537-Q540 PolarHBondContact O-N 3.35Å; K537-D541 VanDerWaalsContact O-CB 3.3Å; K537-D541 WeakPolarHBondContact O-CB 3.49Å; K537-D541 VanDerWaalsContact O-CG 3.27Å; K537-D541 PolarHBondContact O-N 2.91Å
538R83.4Confident79.8Confident103 Ų10369.4 Ų69.439%0.38934%0.342SS..Hα-helixtrans-62.7-43176.8-77.4177.9179.2-173.1-2.7112.3F339 K366 G367 N534 H535 V536 D541 F542F339-R538 HydrophobicContact CZ-CB 4.48Å; K366-R538 PolarHBondContact O-NH1 2.98Å; K366-R538 PolarHBondContact O-NH2 3.45Å; K366-R538 VanDerWaalsContact O-NH2 3.16Å; G367-R538 VanDerWaalsContact C-NH1 3.26Å; G367-R538 PolarHBondContact O-NH1 3.13Å; N534-R538 WeakPolarHBondContact O-CG 3.46Å; N534-R538 PolarHBondContact O-N 3.09Å; N534-R538 VanDerWaalsContact O-N 3.09Å; H535-R538 PolarHBondContact O-N 2.91Å; H535-R538 VanDerWaalsContact O-N 3.14Å; V536-R538 VanDerWaalsContact C-N 3.35Å; V536-R538 PolarHBondContact O-N 2.95Å; R538-D541 PolarHBondContact O-N 2.95Å; R538-F542 WeakPolarHBondContact O-CB 3.26Å; R538-F542 PolarHBondContact O-N 3Å
539V82.4Confident78.8Confident1 Ų167.9 Ų67.91%0.00633%0.327CS..Hα-helixtrans-68.7-42.4178.5-1790000110.7F339 F341 A512 L516 H535 V536 F542 S543 L607 A610F339-V539 HydrophobicContact CD1-CG2 4.42Å; F339-V539 HydrophobicContact CE1-CG2 3.7Å; F339-V539 HydrophobicContact CZ-CG2 4.23Å; F341-V539 HydrophobicContact CE2-CG2 3.66Å; F341-V539 HydrophobicContact CZ-CG2 3.54Å; A512-V539 HydrophobicContact CB-CG1 4.48Å; L516-V539 HydrophobicContact CD1-CB 3.89Å; L516-V539 HydrophobicContact CD1-CG1 3.75Å; L516-V539 HydrophobicContact CD2-CB 4.11Å; L516-V539 HydrophobicContact CD2-CG1 4.1Å; L516-V539 HydrophobicContact CD2-CG2 4.32Å; L516-V539 HydrophobicContact CG-CG1 4.21Å; H535-V539 PolarHBondContact O-N 3.32Å; H535-V539 VanDerWaalsContact O-N 3.09Å; V536-V539 PolarHBondContact O-N 2.92Å; V539-F542 PolarHBondContact O-N 3.5Å; V539-S543 WeakPolarHBondContact O-CB 2.99Å; V539-S543 PolarHBondContact O-N 2.86Å; V539-L607 HydrophobicContact CG2-CD2 4.26Å; V539-A610 HydrophobicContact CG1-CB 3.94Å
540Q82Confident77.9Confident79 Ų7965.3 Ų65.337%0.36932%0.319SS..Hα-helixtrans-61.7-44.6174.9-73.8178-14.200111.6L516 V536 K537 F542 S543 N544L516-Q540 HydrophobicContact CD1-CG 3.8Å; V536-Q540 HydrophobicContact CG1-CG 4.41Å; V536-Q540 WeakPolarHBondContact O-CG 2.99Å; V536-Q540 PolarHBondContact O-N 3.12Å; K537-Q540 PolarHBondContact O-N 3.35Å; Q540-F542 VanDerWaalsContact C-N 3.34Å; Q540-F542 PolarHBondContact O-N 3.38Å; Q540-S543 PolarHBondContact O-N 3.38Å; Q540-N544 VanDerWaalsContact O-CB 3.26Å; Q540-N544 WeakPolarHBondContact O-CB 3.37Å; Q540-N544 PolarHBondContact O-N 3.38Å; Q540-N544 PolarHBondContact O-ND2 3.43Å
541D80.5Confident77.2Confident63 Ų6363 Ų6334%0.33730%0.3SS..Hα-helixtrans-61.7-42.1175.8-79.2-13.3000111.4K537 R538 R545K537-D541 VanDerWaalsContact O-CB 3.3Å; K537-D541 WeakPolarHBondContact O-CB 3.49Å; K537-D541 VanDerWaalsContact O-CG 3.27Å; K537-D541 PolarHBondContact O-N 2.91Å; R538-D541 PolarHBondContact O-N 2.95Å; D541-R545 WeakPolarHBondContact O-CB 3.31Å; D541-R545 WeakPolarHBondContact O-CD 3.41Å; D541-R545 WeakPolarHBondContact O-CG 3.19Å; D541-R545 PolarHBondContact O-N 3.33Å
542F79.9Confident76.9Confident20 Ų2062 Ų629%0.08830%0.295CS..Hα-helixtrans-62.9-49.1175.3-179-93.4000111.1K337 F339 V370 R538 V539 Q540 R545 H546 K612K337-F542 HydrophobicContact CB-CZ 4.38Å; F339-F542 HydrophobicContact CB-CD1 4.29Å; F339-F542 HydrophobicContact CB-CE1 4.02Å; F339-F542 HydrophobicContact CB-CE2 4.28Å; F339-F542 HydrophobicContact CB-CZ 4.02Å; F339-F542 HydrophobicContact CD2-CB 4.47Å; F339-F542 AromaticContact CD2-CD2 3.99Å; F339-F542 HydrophobicContact CD2-CD2 3.99Å; F339-F542 HydrophobicContact CD2-CE2 4.39Å; F339-F542 HydrophobicContact CD2-CG 4.13Å; F339-F542 HydrophobicContact CG-CG 4.47Å; V370-F542 HydrophobicContact CG1-CE2 4.16Å; V370-F542 HydrophobicContact CG2-CD2 4.34Å; V370-F542 HydrophobicContact CG2-CE2 3.96Å; R538-F542 WeakPolarHBondContact O-CB 3.26Å; R538-F542 PolarHBondContact O-N 3Å; V539-F542 PolarHBondContact O-N 3.5Å; Q540-F542 VanDerWaalsContact C-N 3.34Å; Q540-F542 PolarHBondContact O-N 3.38Å; F542-R545 PolarHBondContact O-N 2.99Å; F542-H546 AromaticContact CD1-ND1 3.99Å; F542-H546 AromaticContact CD2-CE1 3.48Å; F542-H546 VanDerWaalsContact CD2-CE1 3.48Å; F542-H546 WeakPolarHBondContact CD2-CE1 3.16Å; F542-H546 AromaticContact CD2-ND1 3.57Å; F542-H546 AromaticContact CE1-ND1 3.97Å; F542-H546 AromaticContact CE2-CE1 3.26Å; F542-H546 WeakPolarHBondContact CE2-CE1 3.34Å; F542-H546 AromaticContact CE2-ND1 3.55Å; F542-H546 AromaticContact CG-ND1 3.8Å; F542-H546 AromaticContact CZ-CE1 3.8Å; F542-H546 AromaticContact CZ-ND1 3.75Å; F542-H546 WeakPolarHBondContact O-CB 3.47Å; F542-H546 PolarHBondContact O-N 3.03Å; F542-H546 VanDerWaalsContact O-N 3.17Å; F542-H546 PolarHBondContact O-ND1 2.67Å; F542-K612 HydrophobicContact CE1-CB 4.35Å; F542-K612 HydrophobicContact CZ-CB 4.27Å
543S76.6Confident76.7Confident7 Ų758 Ų585%0.04927%0.273CS..Hα-helixtrans-63.2-48-179.4-174.70000111.6A512 V539 Q540 R545 H546 N547A512-S543 WeakPolarHBondContact CB-OG 3.43Å; V539-S543 WeakPolarHBondContact O-CB 2.99Å; V539-S543 PolarHBondContact O-N 2.86Å; Q540-S543 PolarHBondContact O-N 3.38Å; S543-R545 VanDerWaalsContact C-N 3.34Å; S543-R545 PolarHBondContact O-N 3.18Å; S543-H546 PolarHBondContact O-N 3.27Å; S543-H546 VanDerWaalsContact O-N 3.16Å; S543-N547 WeakPolarHBondContact O-CB 3.44Å; S543-N547 PolarHBondContact O-N 2.86Å; S543-N547 PolarHBondContact O-ND2 3.39Å; S543-N547 PolarHBondContact OG-ND2 3.13Å
544N76.6Confident76.7Confident104 Ų10449.6 Ų49.656%0.55623%0.234SC*.Hα-helixtrans-62.5-38.2-179-71.9-25.6000112.7Q540Q540-N544 VanDerWaalsContact O-CB 3.26Å; Q540-N544 WeakPolarHBondContact O-CB 3.37Å; Q540-N544 PolarHBondContact O-N 3.38Å; Q540-N544 PolarHBondContact O-ND2 3.43Å
545R71.6Confident76.8Confident181 Ų18143.8 Ų43.868%0.68320%0.203SC*.Hα-helixtrans-67-38.4176.1-71.4173.9-160.5-166.77.3112.1D541 F542 S543D541-R545 WeakPolarHBondContact O-CB 3.31Å; D541-R545 WeakPolarHBondContact O-CD 3.41Å; D541-R545 WeakPolarHBondContact O-CG 3.19Å; D541-R545 PolarHBondContact O-N 3.33Å; F542-R545 PolarHBondContact O-N 2.99Å; S543-R545 VanDerWaalsContact C-N 3.34Å; S543-R545 PolarHBondContact O-N 3.18Å
546H71.3Confident77Confident35 Ų3543.5 Ų43.516%0.16220%0.201CC..Hα-helixtrans-89.6-32-172.8-69.5100.1000113.5F542 S543 M548 T549 A550 C552 K612F542-H546 AromaticContact CD1-ND1 3.99Å; F542-H546 AromaticContact CD2-CE1 3.48Å; F542-H546 VanDerWaalsContact CD2-CE1 3.48Å; F542-H546 WeakPolarHBondContact CD2-CE1 3.16Å; F542-H546 AromaticContact CD2-ND1 3.57Å; F542-H546 AromaticContact CE1-ND1 3.97Å; F542-H546 AromaticContact CE2-CE1 3.26Å; F542-H546 WeakPolarHBondContact CE2-CE1 3.34Å; F542-H546 AromaticContact CE2-ND1 3.55Å; F542-H546 AromaticContact CG-ND1 3.8Å; F542-H546 AromaticContact CZ-CE1 3.8Å; F542-H546 AromaticContact CZ-ND1 3.75Å; F542-H546 WeakPolarHBondContact O-CB 3.47Å; F542-H546 PolarHBondContact O-N 3.03Å; F542-H546 VanDerWaalsContact O-N 3.17Å; F542-H546 PolarHBondContact O-ND1 2.67Å; S543-H546 PolarHBondContact O-N 3.27Å; S543-H546 VanDerWaalsContact O-N 3.16Å; H546-M548 PolarHBondContact O-N 3.3Å; H546-T549 PolarHBondContact O-N 3.14Å; H546-T549 PolarHBondContact O-OG1 3.41Å; H546-A550 CarbonylContact C-O 3.57Å; H546-A550 VanDerWaalsContact C-O 3.3Å; H546-A550 PolarHBondContact O-N 2.85Å; H546-C552 WeakPolarHBondContact CB-SG 3.49Å; H546-K612 HydrophobicContact CB-CD 4.32Å; H546-K612 PolarHBondContact CD2-NZ 2.92Å
547N67.9Low77.1Confident31 Ų3144 Ų4417%0.16620%0.2CC..Hα-helixtrans-50.2-30175.8-78.6-15.6000113.3Y484 S543 T549 A550 C552Y484-N547 PolarHBondContact OH-O 3.25Å; S543-N547 WeakPolarHBondContact O-CB 3.44Å; S543-N547 PolarHBondContact O-N 2.86Å; S543-N547 PolarHBondContact O-ND2 3.39Å; S543-N547 PolarHBondContact OG-ND2 3.13Å; N547-T549 VanDerWaalsContact C-N 3.26Å; N547-T549 PolarHBondContact O-N 3.47Å; N547-A550 CarbonylContact C-O 3.54Å; N547-A550 WeakPolarHBondContact CA-O 3.25Å; N547-A550 PolarHBondContact N-O 3.24Å; N547-C552 WeakPolarHBondContact OD1-CB 3.07Å; N547-C552 PolarHBondContact OD1-N 3.05Å; N547-C552 PolarHBondContact OD1-SG 3.48Å
548M61.3Low77.1Confident56 Ų5640.6 Ų40.628%0.27618%0.183SC..THydrogen-bonded Turntrans-64.7-26.2175.2-60.8-59.5-68.800114.5Y484 H546 L648Y484-M548 HydrophobicContact CD1-CE 4.4Å; Y484-M548 HydrophobicContact CD1-SD 3.83Å; Y484-M548 HydrophobicContact CD2-CE 3.34Å; Y484-M548 HydrophobicContact CD2-SD 3.76Å; Y484-M548 HydrophobicContact CE1-CE 4.36Å; Y484-M548 HydrophobicContact CE1-SD 3.44Å; Y484-M548 WeakPolarHBondContact CE1-SD 2.95Å; Y484-M548 HydrophobicContact CE2-CE 3.29Å; Y484-M548 HydrophobicContact CE2-SD 3.37Å; Y484-M548 WeakPolarHBondContact CE2-SD 3.46Å; Y484-M548 HydrophobicContact CG-CE 3.94Å; Y484-M548 HydrophobicContact CG-SD 3.98Å; Y484-M548 WeakPolarHBondContact OH-CA 3.23Å; H546-M548 PolarHBondContact O-N 3.3Å; M548-L648 HydrophobicContact CB-CB 4.46Å; M548-L648 HydrophobicContact CB-CD1 3.94Å; M548-L648 HydrophobicContact CE-CD1 3.66Å; M548-L648 HydrophobicContact CE-CG 4.26Å; M548-L648 HydrophobicContact CG-CD1 4.36Å
549T61.1Low77.2Confident25 Ų2539.1 Ų39.115%0.15319%0.187CC..THydrogen-bonded Turntrans-120.9-25.7-171.6640000112.8H546 N547 G615 V652H546-T549 PolarHBondContact O-N 3.14Å; H546-T549 PolarHBondContact O-OG1 3.41Å; N547-T549 VanDerWaalsContact C-N 3.26Å; N547-T549 PolarHBondContact O-N 3.47Å; T549-G615 CarbonylContact O-C 3.39Å; T549-V652 HydrophobicContact CG2-CG2 3.82Å
550A66.1Low77.3Confident5 Ų539.2 Ų39.24%0.04119%0.188CC..SBendtrans-154.6151.5-177.400000109.8H546 N547 K612 D614H546-A550 CarbonylContact C-O 3.57Å; H546-A550 VanDerWaalsContact C-O 3.3Å; H546-A550 PolarHBondContact O-N 2.85Å; N547-A550 CarbonylContact C-O 3.54Å; N547-A550 WeakPolarHBondContact CA-O 3.25Å; N547-A550 PolarHBondContact N-O 3.24Å; A550-K612 HydrophobicContact CB-CD 4.49Å; A550-K612 HydrophobicContact CB-CG 4.31Å; A550-D614 CarbonylContact C-O 3.54Å
551Y71.3Confident77.3Confident34 Ų3438.2 Ų38.213%0.13319%0.188CC..  trans-65.1142.1164.4-170.4-104.7000111.2V435 P487 N490 L553 S613 D614V435-Y551 HydrophobicContact CG1-CE2 4Å; V435-Y551 HydrophobicContact CG2-CE2 3.67Å; P487-Y551 HydrophobicContact CB-CD2 4.23Å; P487-Y551 HydrophobicContact CB-CE2 4Å; P487-Y551 HydrophobicContact CG-CD2 4.25Å; P487-Y551 HydrophobicContact CG-CE2 4.28Å; N490-Y551 PolarHBondContact ND2-OH 3.35Å; N490-Y551 PolarHBondContact OD1-OH 3.22Å; Y551-L553 HydrophobicContact CE1-CB 4.48Å; Y551-L553 HydrophobicContact CE1-CD1 4.09Å; Y551-S613 VanDerWaalsContact O-O 3.11Å; Y551-D614 CarbonylContact C-O 3.48Å; Y551-D614 WeakPolarHBondContact CA-O 3.38Å; Y551-D614 WeakPolarHBondContact CB-O 3.32Å; Y551-D614 HydrophobicContact CD1-CB 4.5Å; Y551-D614 PolarHBondContact N-O 2.89Å
552C76.6Confident77.3Confident6 Ų639 Ų394%0.04119%0.192CC..  trans-113.5128.6174.4-59.90000109.1H546 N547H546-C552 WeakPolarHBondContact CB-SG 3.49Å; N547-C552 WeakPolarHBondContact OD1-CB 3.07Å; N547-C552 PolarHBondContact OD1-N 3.05Å; N547-C552 PolarHBondContact OD1-SG 3.48Å
553L81.5Confident77.3Confident8 Ų843.8 Ų43.84%0.04221%0.209CC..EExtended strand (participates in β ladder)trans-109.5118.9179-171.771.1000109.5L441 Q509 Y551 L555 D611 S613L441-L553 HydrophobicContact CD1-CD2 3.98Å; L441-L553 HydrophobicContact CD2-CD2 4.4Å; L441-L553 HydrophobicContact CG-CD2 4.46Å; Q509-L553 HydrophobicContact CB-CD1 4.02Å; Q509-L553 HydrophobicContact CB-CD2 4.3Å; Q509-L553 HydrophobicContact CB-CG 4.3Å; Y551-L553 HydrophobicContact CE1-CB 4.48Å; Y551-L553 HydrophobicContact CE1-CD1 4.09Å; L553-L555 HydrophobicContact CD2-CD2 3.84Å; L553-L555 HydrophobicContact CG-CD2 3.97Å; L553-D611 PolarHBondContact N-O 3.38Å; L553-D611 PolarHBondContact O-N 3.22Å; L553-S613 WeakPolarHBondContact CB-OG 3.44Å; L553-S613 WeakPolarHBondContact CD2-OG 3.5Å
554A85Confident77.3Confident0 Ų043.4 Ų43.40%021%0.207CC..EExtended strand (participates in β ladder)trans-89.3137.7170.900000110.2Q509 G510 A512 V515Q509-A554 WeakPolarHBondContact CA-O 3.31Å; G510-A554 PolarHBondContact N-O 3.43Å; G510-A554 PolarHBondContact O-N 3.11Å; A512-A554 HydrophobicContact CB-CB 4.29Å; V515-A554 HydrophobicContact CB-CB 3.64Å; V515-A554 HydrophobicContact CG1-CB 3.83Å; V515-A554 HydrophobicContact CG2-CB 3.86Å
555L86.1Confident77.1Confident0 Ų039.5 Ų39.50%019%0.189CC..EExtended strand (participates in β ladder)trans-114.1139.3177.3-55.3-169.8000110L400 N403 L441 C508 Q509 L553 T608 N609L400-L555 HydrophobicContact CD1-CB 4.42Å; L400-L555 HydrophobicContact CD1-CD1 3.28Å; L400-L555 HydrophobicContact CD1-CG 4.03Å; L400-L555 HydrophobicContact CG-CD1 3.85Å; N403-L555 HydrophobicContact CB-CD1 4.35Å; L441-L555 HydrophobicContact CD1-CD1 3.94Å; L441-L555 HydrophobicContact CD1-CD2 4.29Å; C508-L555 WeakPolarHBondContact O-CA 3.48Å; Q509-L555 HydrophobicContact CB-CD2 3.66Å; Q509-L555 HydrophobicContact CG-CD2 3.47Å; Q509-L555 VanDerWaalsContact CG-CD2 3.47Å; L553-L555 HydrophobicContact CD2-CD2 3.84Å; L553-L555 HydrophobicContact CG-CD2 3.97Å; L555-T608 PolarHBondContact O-N 3.13Å; L555-T608 PolarHBondContact O-OG1 2.75Å; L555-N609 PolarHBondContact N-O 3.2Å; L555-N609 PolarHBondContact O-N 2.82Å
556S87.2Confident77.1Confident0 Ų037.4 Ų37.40%019%0.191CC..EExtended strand (participates in β ladder)trans-140.2161.9174.553.60000111.7N403 C508 C519 E605 L606 T608N403-S556 PolarHBondContact ND2-O 2.97Å; C508-S556 WeakPolarHBondContact CB-OG 3.42Å; C508-S556 PolarHBondContact N-O 2.64Å; C508-S556 PolarHBondContact O-N 3.32Å; C519-S556 VanDerWaalsContact SG-CB 3.5Å; S556-E605 WeakPolarHBondContact CB-OE2 3.14Å; S556-E605 PolarHBondContact OG-OE2 3.25Å; S556-L606 CarbonylContact C-O 3.6Å; S556-L606 VanDerWaalsContact CA-O 3.25Å; S556-L606 WeakPolarHBondContact CA-O 3.45Å; S556-L606 WeakPolarHBondContact CB-O 3.29Å; S556-T608 WeakPolarHBondContact CA-OG1 3.41Å
557Y86.5Confident77Confident51 Ų5137.3 Ų37.320%0.219%0.192CC..EExtended strand (participates in β ladder)trans-139143.7-177.7161-108.4000110.5Q505 M506 M507 P559 L606Q505-Y557 HydrophobicContact CB-CE2 3.96Å; Q505-Y557 HydrophobicContact CG-CE2 3.98Å; M506-Y557 WeakPolarHBondContact O-CA 3.08Å; M506-Y557 WeakPolarHBondContact O-CD2 3.48Å; M507-Y557 HydrophobicContact CE-CD2 3.3Å; M507-Y557 HydrophobicContact CE-CE2 3.66Å; M507-Y557 HydrophobicContact CE-CG 4.22Å; M507-Y557 HydrophobicContact SD-CD2 3.55Å; M507-Y557 VanDerWaalsContact SD-CD2 3.55Å; M507-Y557 HydrophobicContact SD-CE2 4.46Å; M507-Y557 HydrophobicContact SD-CG 4.19Å; Y557-P559 HydrophobicContact CE1-CG 4.5Å; Y557-L606 HydrophobicContact CD1-CD2 4.22Å; Y557-L606 PolarHBondContact N-O 3.37Å; Y557-L606 WeakPolarHBondContact O-CB 3.5Å; Y557-L606 PolarHBondContact O-N 2.81Å
558R84.4Confident76.5Confident43 Ų4344.7 Ų44.716%0.16222%0.223CC..EExtended strand (participates in β ladder)trans-146.9129.6170.2179172.1-175.1-1623.1112.9M506 L560 S600 L601 F603 E605M506-R558 HydrophobicContact CB-CB 4.45Å; M506-R558 WeakPolarHBondContact CB-O 3.47Å; M506-R558 PolarHBondContact N-O 3.37Å; M506-R558 PolarHBondContact O-N 3.39Å; R558-L560 HydrophobicContact CG-CD2 4.01Å; R558-L560 HydrophobicContact CG-CG 4.45Å; R558-S600 PolarHBondContact NH1-O 3.13Å; R558-S600 PolarHBondContact NH2-O 3.44Å; R558-L601 PolarHBondContact NH1-O 3.35Å; R558-F603 PolarHBondContact NE-O 3.29Å; R558-F603 PolarHBondContact NH1-O 2.68Å; R558-F603 PolarHBondContact NH2-O 3.32Å; R558-F603 VanDerWaalsContact NH2-O 3.08Å; R558-E605 HydrophobicContact CB-CG 3.82Å
559P84.7Confident76.7Confident72 Ų7245.1 Ų45.147%0.46822%0.224SC..EExtended strand (participates in β ladder)trans-74.6133.1165.629.7-30000110.1V504 Y557V504-P559 CarbonylContact O-C 3.57Å; Y557-P559 HydrophobicContact CE1-CG 4.5Å
560L84.2Confident77Confident3 Ų350.9 Ų50.92%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-120.3153.2179.7-67.7-179.6000111.2I495 V504 M506 R558 A564 L601I495-L560 HydrophobicContact CD1-CD1 4.17Å; I495-L560 HydrophobicContact CG1-CD1 4.46Å; V504-L560 HydrophobicContact CB-CB 4.36Å; V504-L560 PolarHBondContact N-O 3.01Å; V504-L560 PolarHBondContact O-N 3.35Å; M506-L560 HydrophobicContact CB-CD1 3.8Å; M506-L560 HydrophobicContact CB-CG 4.17Å; M506-L560 HydrophobicContact CG-CD1 4.35Å; M506-L560 HydrophobicContact SD-CD1 3.73Å; R558-L560 HydrophobicContact CG-CD2 4.01Å; R558-L560 HydrophobicContact CG-CG 4.45Å; L560-A564 HydrophobicContact CB-CB 3.96Å; L560-A564 HydrophobicContact CD1-CB 3.87Å; L560-L601 HydrophobicContact CD1-CD2 3.77Å; L560-L601 HydrophobicContact CD2-CD2 3.96Å; L560-L601 HydrophobicContact CG-CD2 4.49Å
561P82.7Confident77.5Confident58 Ų5853.1 Ų53.138%0.37727%0.265SS..EExtended strand (participates in β ladder)trans-66.3156.1170.529.3-36.5000112W563 A564P561-W563 VanDerWaalsContact C-N 3.26Å; P561-W563 HydrophobicContact CG-CD2 4.45Å; P561-W563 HydrophobicContact CG-CG 4.47Å; P561-W563 HydrophobicContact CG-CZ2 3.99Å; P561-W563 PolarHBondContact O-N 2.75Å; P561-W563 VanDerWaalsContact O-N 3.12Å; P561-A564 WeakPolarHBondContact O-CB 3.42Å; P561-A564 PolarHBondContact O-N 2.8Å
562L80.3Confident78.1Confident80 Ų8052.5 Ų52.542%0.41926%0.263SS..G310 helixtrans-55.9-34.4-170.7-148.493.2000114.8C502 V504 A564 A565C502-L562 VanDerWaalsContact C-CD1 3.45Å; C502-L562 WeakPolarHBondContact O-CD1 3.3Å; V504-L562 HydrophobicContact CG2-CD1 4.42Å; L562-A564 PolarHBondContact O-N 3.15Å; L562-A564 VanDerWaalsContact O-N 3.15Å; L562-A565 WeakPolarHBondContact O-CB 3.36Å; L562-A565 PolarHBondContact O-N 2.85Å; L562-A565 VanDerWaalsContact O-N 3.14Å
563W80.3Confident78.4Confident120 Ų12052.7 Ų52.746%0.45526%0.262SS..G310 helixtrans-62-22.2-179.365.9-101.9000113.3P561 A565 D566 L567 C596 L601P561-W563 VanDerWaalsContact C-N 3.26Å; P561-W563 HydrophobicContact CG-CD2 4.45Å; P561-W563 HydrophobicContact CG-CG 4.47Å; P561-W563 HydrophobicContact CG-CZ2 3.99Å; P561-W563 PolarHBondContact O-N 2.75Å; P561-W563 VanDerWaalsContact O-N 3.12Å; W563-A565 PolarHBondContact O-N 2.62Å; W563-D566 PolarHBondContact O-N 3.38Å; W563-L567 HydrophobicContact CE3-CD1 4.43Å; W563-L567 HydrophobicContact CZ3-CD1 3.88Å; W563-L567 HydrophobicContact CZ3-CG 4.48Å; W563-C596 WeakPolarHBondContact CH2-SG 3.49Å; W563-L601 HydrophobicContact CH2-CD2 4.05Å; W563-L601 HydrophobicContact CH2-CG 4.47Å
564A77.1Confident78.4Confident0 Ų053 Ų530%026%0.264CS..G310 helixtrans-69.9-17.6179.300000113L560 P561 L562 D566 L567 L601L560-A564 HydrophobicContact CB-CB 3.96Å; L560-A564 HydrophobicContact CD1-CB 3.87Å; P561-A564 WeakPolarHBondContact O-CB 3.42Å; P561-A564 PolarHBondContact O-N 2.8Å; L562-A564 PolarHBondContact O-N 3.15Å; L562-A564 VanDerWaalsContact O-N 3.15Å; A564-D566 VanDerWaalsContact C-N 3.28Å; A564-D566 PolarHBondContact O-N 3.34Å; A564-L567 HydrophobicContact CB-CD1 4.18Å; A564-L567 WeakPolarHBondContact O-CD1 3.41Å; A564-L601 HydrophobicContact CB-CD2 4Å
565A72.2Confident78.2Confident21 Ų2154.5 Ų54.517%0.17427%0.272CS..G310 helixtrans-70-25.7174.100000112.8T463 K497 V504 L562 W563 L567T463-A565 PolarHBondContact OG1-O 3.22Å; K497-A565 HydrophobicContact CD-CB 4.45Å; V504-A565 HydrophobicContact CG1-CB 4.32Å; V504-A565 HydrophobicContact CG2-CB 3.84Å; L562-A565 WeakPolarHBondContact O-CB 3.36Å; L562-A565 PolarHBondContact O-N 2.85Å; L562-A565 VanDerWaalsContact O-N 3.14Å; W563-A565 PolarHBondContact O-N 2.62Å; A565-L567 VanDerWaalsContact C-N 3.28Å; A565-L567 PolarHBondContact O-N 3.03Å
566D71.5Confident77.6Confident138 Ų13855.3 Ų55.374%0.73828%0.277SS*.G310 helixtrans-84.3-1.8-176.5-63.3-37.2000113.3W563 A564 K568W563-D566 PolarHBondContact O-N 3.38Å; A564-D566 VanDerWaalsContact C-N 3.28Å; A564-D566 PolarHBondContact O-N 3.34Å; D566-K568 VanDerWaalsContact C-N 3.33Å; D566-K568 PolarHBondContact O-N 3.18Å
567L68Low76.2Confident33 Ų3360.1 Ų60.117%0.17330%0.302CS..  trans-69.184.8173.5-76.2156.1000110.2T463 W563 A564 A565 H569 L601T463-L567 WeakPolarHBondContact CG2-O 3.09Å; W563-L567 HydrophobicContact CE3-CD1 4.43Å; W563-L567 HydrophobicContact CZ3-CD1 3.88Å; W563-L567 HydrophobicContact CZ3-CG 4.48Å; A564-L567 HydrophobicContact CB-CD1 4.18Å; A564-L567 WeakPolarHBondContact O-CD1 3.41Å; A565-L567 VanDerWaalsContact C-N 3.28Å; A565-L567 PolarHBondContact O-N 3.03Å; L567-H569 WeakPolarHBondContact CD2-NE2 3.3Å; L567-H569 PolarHBondContact O-N 3.05Å; L567-L601 HydrophobicContact CD1-CD1 3.5Å; L567-L601 VanDerWaalsContact CD1-CD1 3.5Å; L567-L601 HydrophobicContact CD1-CD2 4.28Å
568K58.1Low74.7Confident186 Ų18661.5 Ų61.581%0.80931%0.311SS*.  trans-78.8106.2166.7-80.9-172.4175.6-175.40109.7D566D566-K568 VanDerWaalsContact C-N 3.33Å; D566-K568 PolarHBondContact O-N 3.18Å
569H66.2Low72.8Confident65 Ų6562.9 Ų62.930%0.30133%0.326SS..  trans-124.9109.5171.2-69.7-56.3000110L465 L567 Y573L465-H569 HydrophobicContact CD2-CB 4.26Å; L567-H569 WeakPolarHBondContact CD2-NE2 3.3Å; L567-H569 PolarHBondContact O-N 3.05Å; H569-Y573 WeakPolarHBondContact CB-OH 3.19Å; H569-Y573 PolarHBondContact CD2-OH 2.67Å
570D66Low70.5Confident145 Ų14564.1 Ų64.178%0.77534%0.335SS*.  trans-79-6.9171.6-67.1-28.7000111.8P206P206-D570 WeakPolarHBondContact CD-O 3.47Å; P206-D570 WeakPolarHBondContact CG-O 3.31Å
571D77.4Confident68Low53 Ų5370 Ų7028%0.28337%0.367SS..SBendtrans-91.8151.2-177.5-68-21.1000113.1S203 S205S203-D571 PolarHBondContact OG-OD2 3.31Å; S205-D571 WeakPolarHBondContact CA-OD1 3.41Å
572Y85Confident65.8Low21 Ų2170.9 Ų70.98%0.08238%0.379CS..EExtended strand (participates in β ladder)trans-92.7150.9171-57.2-28000111.6S203 V204 P206 F418 H421 C466S203-Y572 CarbonylContact C-O 3.56Å; S203-Y572 WeakPolarHBondContact CA-O 3.39Å; V204-Y572 PolarHBondContact N-O 2.85Å; V204-Y572 PolarHBondContact O-N 3.15Å; P206-Y572 HydrophobicContact CB-CD2 4.28Å; P206-Y572 HydrophobicContact CB-CE1 4.44Å; P206-Y572 HydrophobicContact CB-CE2 3.62Å; F418-Y572 WeakPolarHBondContact CA-OH 3.38Å; F418-Y572 HydrophobicContact CD2-CD1 4.22Å; F418-Y572 HydrophobicContact CD2-CD2 4.15Å; F418-Y572 HydrophobicContact CD2-CE1 4.13Å; F418-Y572 HydrophobicContact CD2-CE2 4.06Å; F418-Y572 HydrophobicContact CD2-CG 4.21Å; F418-Y572 PolarHBondContact N-OH 2.93Å; H421-Y572 HydrophobicContact CB-CD2 3.91Å; H421-Y572 HydrophobicContact CB-CE2 3.57Å; H421-Y572 AromaticContact CD2-CD2 3.73Å; H421-Y572 AromaticContact CE1-CD2 3.88Å; H421-Y572 AromaticContact CG-CD2 3.47Å; H421-Y572 VanDerWaalsContact CG-CD2 3.47Å; H421-Y572 AromaticContact CG-CE2 3.66Å; H421-Y572 AromaticContact ND1-CD2 3.56Å; H421-Y572 AromaticContact ND1-CE2 3.88Å; H421-Y572 AromaticContact NE2-CD2 3.99Å; C466-Y572 HydrophobicContact CB-CD1 3.55Å; C466-Y572 HydrophobicContact CB-CE1 3.93Å; C466-Y572 HydrophobicContact CB-CG 4.3Å; C466-Y572 WeakPolarHBondContact O-CA 3.39Å
573Y82.2Confident63.6Low10 Ų1076.8 Ų76.84%0.03940%0.401CS..EExtended strand (participates in β ladder)trans-104.7130.2-176.9-65.7-80.3000113.1S202 L465 C466 A467 Y468 H569 M598S202-Y573 CarbonylContact O-C 3.59Å; S202-Y573 VanDerWaalsContact O-CA 3.25Å; S202-Y573 WeakPolarHBondContact O-CA 3.47Å; S202-Y573 WeakPolarHBondContact O-CD1 3.23Å; L465-Y573 HydrophobicContact CD2-CE2 3.97Å; C466-Y573 PolarHBondContact O-N 2.92Å; A467-Y573 CarbonylContact C-O 3.51Å; A467-Y573 VanDerWaalsContact CA-O 3.23Å; A467-Y573 WeakPolarHBondContact CA-O 3.38Å; Y468-Y573 PolarHBondContact N-O 3.49Å; H569-Y573 WeakPolarHBondContact CB-OH 3.19Å; H569-Y573 PolarHBondContact CD2-OH 2.67Å; Y573-M598 HydrophobicContact CD1-CE 4.3Å; Y573-M598 HydrophobicContact CD1-SD 4.39Å; Y573-M598 HydrophobicContact CE1-CE 3.28Å; Y573-M598 HydrophobicContact CE1-SD 3.49Å; Y573-M598 WeakPolarHBondContact CE1-SD 3.28Å; Y573-M598 HydrophobicContact CE2-SD 4.1Å; Y573-M598 WeakPolarHBondContact OH-CE 3.22Å; Y573-M598 PolarHBondContact OH-SD 3.11Å
574D82.4Confident61.2Low14 Ų1479.3 Ų79.38%0.07542%0.418CS..EExtended strand (participates in β ladder)trans-99.9106.1171.4-173-9.3000110.5S202 V204 Y468 R470 T576S202-D574 PolarHBondContact O-N 2.88Å; V204-D574 HydrophobicContact CG2-CB 4.28Å; Y468-D574 HydrophobicContact CE2-CB 3.96Å; R470-D574 IonicContact CZ-OD2 3.68Å; R470-D574 IonicContact NE-OD1 2.61Å; R470-D574 IonicContact NE-OD2 3.27Å; R470-D574 PolarHBondContact NE-OD2 2.84Å; R470-D574 IonicContact NH2-OD2 3.98Å; R470-D574 PolarHBondContact NH2-OD2 3.19Å; D574-T576 VanDerWaalsContact C-N 3.32Å; D574-T576 PolarHBondContact O-N 3.04Å; D574-T576 WeakPolarHBondContact OD1-CB 3.38Å; D574-T576 PolarHBondContact OD1-N 3.34Å; D574-T576 PolarHBondContact OD1-OG1 3.44Å
575L79.2Confident58.9Low31 Ų3188.6 Ų88.616%0.16246%0.462CS..  trans-91.614.6-176.4-59.5179.6000113.3A467 Y468 M514 N577 H578A467-L575 HydrophobicContact CB-CD1 3.8Å; A467-L575 HydrophobicContact CB-CG 4.17Å; Y468-L575 PolarHBondContact O-N 2.94Å; M514-L575 HydrophobicContact SD-CD1 4Å; L575-N577 PolarHBondContact O-N 3.35Å; L575-H578 PolarHBondContact O-N 3.01Å
576T73.1Confident56.7Low17 Ų1792.2 Ų92.210%0.10449%0.485CS..THydrogen-bonded Turntrans-58.8-41.5-176.9-57.90000113.4R470 T472 D574R470-T576 HydrophobicContact CB-CG2 4.04Å; R470-T576 VanDerWaalsContact CB-OG1 3.29Å; R470-T576 WeakPolarHBondContact CB-OG1 3.18Å; R470-T576 PolarHBondContact N-OG1 3.36Å; R470-T576 WeakPolarHBondContact O-CG2 3.41Å; T472-T576 HydrophobicContact CG2-CG2 4.03Å; D574-T576 VanDerWaalsContact C-N 3.32Å; D574-T576 PolarHBondContact O-N 3.04Å; D574-T576 WeakPolarHBondContact OD1-CB 3.38Å; D574-T576 PolarHBondContact OD1-N 3.34Å; D574-T576 PolarHBondContact OD1-OG1 3.44Å
577N59.3Low54.6Low101 Ų10192.8 Ų92.854%0.5449%0.489SS..THydrogen-bonded Turntrans-89.9-5.9-173.4-69.8-15.7000114.4L575L575-N577 PolarHBondContact O-N 3.35Å
578H54.8Low52.7Low81 Ų8198.1 Ų98.138%0.37552%0.523SS..G310 helixtrans-86-16.9-169.3-85-74.7000114.7L575 C580 D599L575-H578 PolarHBondContact O-N 3.01Å; H578-C580 VanDerWaalsContact C-N 3.33Å; H578-C580 PolarHBondContact O-N 2.95Å; H578-D599 IonicContact ND1-OD1 2.8Å
579C44.3Very low51.2Low71 Ų7194.2 Ų94.248%0.4853%0.525SS..G310 helixtrans-77.4-13.2-179.8-69.90000114.6R469R469-C579 VanDerWaalsContact CZ-SG 3.54Å; R469-C579 PolarHBondContact NH2-SG 3.26Å; R469-C579 VanDerWaalsContact NH2-SG 3.43Å
580C35.5Very low49.2Very low98 Ų98100.2 Ų100.266%0.66255%0.553SS**G310 helixtrans-81.1-21.5-175.3-56.10000113.6H578H578-C580 VanDerWaalsContact C-N 3.33Å; H578-C580 PolarHBondContact O-N 2.95Å
581N32.7Very low47.3Very low127 Ų12798.3 Ų98.368%0.67956%0.557SS**SBendtrans-103-12-169.8-67.7-4.3000114.8K583N581-K583 PolarHBondContact O-N 3.15Å
582A35.7Very low44.7Very low77 Ų77107.4 Ų107.464%0.63659%0.588SS**THydrogen-bonded Turntrans-78.62.2-173.200000115.1
583K33.8Very low41.7Very low203 Ų203111 Ų11188%0.88362%0.622SS**THydrogen-bonded Turntrans-107.7-3.4179.5-84.3-177178.8174.60115.4N581N581-K583 PolarHBondContact O-N 3.15Å
584E30Very low38.9Very low174 Ų174117.6 Ų117.681%0.81366%0.663SS**THydrogen-bonded Turntrans-120.1-2.9-174.3-74-169.4161.300116.5S586E584-S586 PolarHBondContact O-N 3.18Å
585E29Very low36.2Very low195 Ų195121.9 Ų121.991%0.91169%0.694SS**  trans-99.967.1175-74-174.3168.800112.4
586S26.9Very low33.6Very low96 Ų96123.9 Ų123.967%0.67171%0.71SS**  trans-108.7120.9146.558.20000106.7E584E584-S586 PolarHBondContact O-N 3.18Å
587D26.9Very low31.7Very low151 Ų151125.9 Ų125.981%0.80773%0.725SS**SBendtrans98.673.1-179.5-53.6-22000115.3
588T27.7Very low30.6Very low145 Ų145123.9 Ų123.989%0.8971%0.712SS**  -175.2112.4122.223.90000110.9Q590T588-Q590 PolarHBondContact O-N 2.65Å
589A26.6Very low29.6Very low103 Ų103123.1 Ų123.185%0.85171%0.711SS**  trans-75.1107167.100000109.4
590Q25.4Very low29.4Very low191 Ų191122.3 Ų122.389%0.89371%0.707SS**  trans-156.8121150.6-115.3168.720.500113T588 R592T588-Q590 PolarHBondContact O-N 2.65Å; Q590-R592 PolarHBondContact O-N 2.81Å
591A24.8Very low29.2Very low105 Ų105118 Ų11887%0.86868%0.677SS**  trans-20.8111.8167.900000116.4
592R23.8Very low29.3Very low244 Ų244112.8 Ų112.892%0.92165%0.648SS**  trans-123.8139146.9-84.3-175.1174.2141.4-0.2109.6Q590Q590-R592 PolarHBondContact O-N 2.81Å
593A22.6Very low29.1Very low96 Ų96112.9 Ų112.979%0.79363%0.634SS**  trans-49.7137.7-170.400000112.9S595A593-S595 PolarHBondContact O-N 2.8Å
594V23.3Very low29Very low149 Ų149106.1 Ų106.190%0.90361%0.608SS**  trans-48.592.5172.4-179.40000110.2
595S24.1Very low29.4Very low105 Ų10597.9 Ų97.973%0.73457%0.569SS**  trans-105.4117145.258.20000104.6A593 S597A593-S595 PolarHBondContact O-N 2.8Å; S595-S597 VanDerWaalsContact C-N 3.34Å; S595-S597 PolarHBondContact O-N 2.87Å
596C26.4Very low29.7Very low72 Ų7289.4 Ų89.449%0.48653%0.53SS..  trans-6596.5-178.7-172.60000107.8W563 M598 S600W563-C596 WeakPolarHBondContact CH2-SG 3.49Å; C596-M598 PolarHBondContact O-N 3.03Å; C596-S600 PolarHBondContact SG-OG 3.33Å
597S32.6Very low30.5Very low60 Ų6084.9 Ų84.942%0.4250%0.499SS..  trans-64.7130.1173.8179.80000108.8S595 D599 S600S595-S597 VanDerWaalsContact C-N 3.34Å; S595-S597 PolarHBondContact O-N 2.87Å; S597-D599 PolarHBondContact O-N 2.99Å; S597-D599 VanDerWaalsContact OG-CG 3.3Å; S597-D599 PolarHBondContact OG-N 3.37Å; S597-D599 PolarHBondContact OG-OD2 2.74Å; S597-S600 WeakPolarHBondContact O-CB 3.38Å; S597-S600 PolarHBondContact O-N 3.25Å; S597-S600 PolarHBondContact O-OG 3.19Å
598M35.6Very low30.9Very low58 Ų5877.7 Ų77.729%0.28646%0.46SS..THydrogen-bonded Turntrans-58.8-13.9177.6-80.6-177.8-88.700113.8Y573 C596 S600 L601Y573-M598 HydrophobicContact CD1-CE 4.3Å; Y573-M598 HydrophobicContact CD1-SD 4.39Å; Y573-M598 HydrophobicContact CE1-CE 3.28Å; Y573-M598 HydrophobicContact CE1-SD 3.49Å; Y573-M598 WeakPolarHBondContact CE1-SD 3.28Å; Y573-M598 HydrophobicContact CE2-SD 4.1Å; Y573-M598 WeakPolarHBondContact OH-CE 3.22Å; Y573-M598 PolarHBondContact OH-SD 3.11Å; C596-M598 PolarHBondContact O-N 3.03Å; M598-S600 PolarHBondContact O-N 2.87Å; M598-L601 HydrophobicContact CB-CD1 4.47Å; M598-L601 HydrophobicContact CG-CD1 4Å; M598-L601 WeakPolarHBondContact O-CB 3.38Å; M598-L601 PolarHBondContact O-N 3.27Å
599D34Very low31.6Very low66 Ų6670.9 Ų70.935%0.35342%0.418SS..Hα-helixtrans-51.1-37.6165.7-59.1-41.6000110.4H578 S597 L601 F602 F603H578-D599 IonicContact ND1-OD1 2.8Å; S597-D599 PolarHBondContact O-N 2.99Å; S597-D599 VanDerWaalsContact OG-CG 3.3Å; S597-D599 PolarHBondContact OG-N 3.37Å; S597-D599 PolarHBondContact OG-OD2 2.74Å; D599-L601 PolarHBondContact O-N 3.33Å; D599-F602 PolarHBondContact O-N 2.65Å; D599-F603 HydrophobicContact CB-CD2 4.38Å; D599-F603 WeakPolarHBondContact O-CB 3.24Å; D599-F603 VanDerWaalsContact O-CD2 3.28Å; D599-F603 WeakPolarHBondContact O-CD2 3.37Å; D599-F603 PolarHBondContact O-N 3.37Å; D599-F603 VanDerWaalsContact O-N 3.15Å
600S39.8Very low31.9Very low54 Ų5466.3 Ų66.338%0.37838%0.38SS..Hα-helixtrans-66.2-15.8177.766.40000114.6R558 C596 S597 M598R558-S600 PolarHBondContact NH1-O 3.13Å; R558-S600 PolarHBondContact NH2-O 3.44Å; C596-S600 PolarHBondContact SG-OG 3.33Å; S597-S600 WeakPolarHBondContact O-CB 3.38Å; S597-S600 PolarHBondContact O-N 3.25Å; S597-S600 PolarHBondContact O-OG 3.19Å; M598-S600 PolarHBondContact O-N 2.87Å
601L32.9Very low32.5Very low6 Ų657.2 Ų57.23%0.03134%0.338CS..Hα-helixtrans-92.3-25-178.7-73163.4000114.2R558 L560 W563 A564 L567 M598 D599R558-L601 PolarHBondContact NH1-O 3.35Å; L560-L601 HydrophobicContact CD1-CD2 3.77Å; L560-L601 HydrophobicContact CD2-CD2 3.96Å; L560-L601 HydrophobicContact CG-CD2 4.49Å; W563-L601 HydrophobicContact CH2-CD2 4.05Å; W563-L601 HydrophobicContact CH2-CG 4.47Å; A564-L601 HydrophobicContact CB-CD2 4Å; L567-L601 HydrophobicContact CD1-CD1 3.5Å; L567-L601 VanDerWaalsContact CD1-CD1 3.5Å; L567-L601 HydrophobicContact CD1-CD2 4.28Å; M598-L601 HydrophobicContact CB-CD1 4.47Å; M598-L601 HydrophobicContact CG-CD1 4Å; M598-L601 WeakPolarHBondContact O-CB 3.38Å; M598-L601 PolarHBondContact O-N 3.27Å; D599-L601 PolarHBondContact O-N 3.33Å
602F33.6Very low33.2Very low18 Ų1852.7 Ų52.78%0.07930%0.298CS..Hα-helixtrans-98.3-24.9174.1-64.8-77.3000113L465 L491 A493 M506 V518 D599 E605L465-F602 HydrophobicContact CB-CZ 4.45Å; L465-F602 HydrophobicContact CD1-CZ 4.33Å; L491-F602 HydrophobicContact CD2-CD1 4.07Å; L491-F602 HydrophobicContact CD2-CE1 3.47Å; L491-F602 VanDerWaalsContact CD2-CE1 3.47Å; L491-F602 HydrophobicContact CD2-CZ 4.3Å; A493-F602 HydrophobicContact CB-CE1 4.37Å; M506-F602 HydrophobicContact CE-CD1 3.48Å; M506-F602 VanDerWaalsContact CE-CD1 3.48Å; M506-F602 HydrophobicContact CE-CE1 3.14Å; M506-F602 HydrophobicContact CE-CG 4.39Å; M506-F602 HydrophobicContact CE-CZ 3.82Å; V518-F602 HydrophobicContact CB-CB 4.27Å; V518-F602 WeakPolarHBondContact CB-O 3.28Å; V518-F602 HydrophobicContact CG1-CB 3.92Å; D599-F602 PolarHBondContact O-N 2.65Å; F602-E605 WeakPolarHBondContact O-CG 3.49Å
603F32Very low33.8Very low80 Ų8041.1 Ų41.135%0.35126%0.255SS..THydrogen-bonded Turntrans-70.8136178.5-96.4-84.1000114R520 R558 D599R520-F603 VanDerWaalsContact NH2-CD1 3.3Å; R558-F603 PolarHBondContact NE-O 3.29Å; R558-F603 PolarHBondContact NH1-O 2.68Å; R558-F603 PolarHBondContact NH2-O 3.32Å; R558-F603 VanDerWaalsContact NH2-O 3.08Å; D599-F603 HydrophobicContact CB-CD2 4.38Å; D599-F603 WeakPolarHBondContact O-CB 3.24Å; D599-F603 VanDerWaalsContact O-CD2 3.28Å; D599-F603 WeakPolarHBondContact O-CD2 3.37Å; D599-F603 PolarHBondContact O-N 3.37Å; D599-F603 VanDerWaalsContact O-N 3.15Å
604D30.5Very low34.6Very low61 Ų6136.9 Ų36.933%0.32622%0.219SC..THydrogen-bonded Turntrans79.531.1-176.4-65.3-43.7000115.5V518 R520 Y521V518-D604 PolarHBondContact O-N 2.97Å; R520-D604 WeakPolarHBondContact CD-OD1 3.35Å; R520-D604 WeakPolarHBondContact CG-OD1 3.47Å; R520-D604 IonicContact CZ-OD1 2.65Å; R520-D604 IonicContact NE-OD1 2.74Å; R520-D604 IonicContact NH1-OD1 3.94Å; R520-D604 PolarHBondContact NH1-OD1 3.21Å; R520-D604 IonicContact NH1-OD2 3.07Å; R520-D604 PolarHBondContact NH1-OD2 3.16Å; R520-D604 VanDerWaalsContact NH1-OD2 3.16Å; Y521-D604 HydrophobicContact CE2-CB 4.43Å
605E39.8Very low35.6Very low0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-70.1146.5169.7-78.3-177.9-174.600112.6C508 V518 C519 R520 Y521 S556 R558 F602C508-E605 PolarHBondContact SG-OE1 3.45Å; V518-E605 WeakPolarHBondContact CG2-OE2 3.36Å; V518-E605 PolarHBondContact O-N 2.88Å; C519-E605 CarbonylContact C-O 3.55Å; C519-E605 VanDerWaalsContact CA-O 3.24Å; C519-E605 WeakPolarHBondContact CA-O 3.42Å; R520-E605 PolarHBondContact N-O 2.9Å; Y521-E605 PolarHBondContact N-O 3.02Å; S556-E605 WeakPolarHBondContact CB-OE2 3.14Å; S556-E605 PolarHBondContact OG-OE2 3.25Å; R558-E605 HydrophobicContact CB-CG 3.82Å; F602-E605 WeakPolarHBondContact O-CG 3.49Å
606L35.7Very low36.9Very low18 Ų1825.4 Ų25.49%0.09415%0.145CC..EExtended strand (participates in β ladder)trans-87.7114.6170.6-176.371.3000108.2Y521 Y522 W523 A528 S556 Y557 T608Y521-L606 VanDerWaalsContact CB-CD1 3.41Å; Y522-L606 WeakPolarHBondContact O-CD1 3.16Å; W523-L606 HydrophobicContact CB-CD1 4.48Å; W523-L606 HydrophobicContact CB-CD2 4.01Å; W523-L606 HydrophobicContact CB-CG 4.24Å; W523-L606 HydrophobicContact CD2-CD2 4.44Å; W523-L606 HydrophobicContact CE3-CD2 3.92Å; A528-L606 HydrophobicContact CB-CD1 3.44Å; A528-L606 VanDerWaalsContact CB-CD1 3.44Å; A528-L606 HydrophobicContact CB-CD2 4.37Å; S556-L606 CarbonylContact C-O 3.6Å; S556-L606 VanDerWaalsContact CA-O 3.25Å; S556-L606 WeakPolarHBondContact CA-O 3.45Å; S556-L606 WeakPolarHBondContact CB-O 3.29Å; Y557-L606 HydrophobicContact CD1-CD2 4.22Å; Y557-L606 PolarHBondContact N-O 3.37Å; Y557-L606 WeakPolarHBondContact O-CB 3.5Å; Y557-L606 PolarHBondContact O-N 2.81Å; L606-T608 HydrophobicContact CD2-CG2 4.06Å; L606-T608 HydrophobicContact CG-CG2 4.17Å; L606-T608 PolarHBondContact O-N 3.48Å
607L42Very low38.4Very low1 Ų122.3 Ų22.31%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-66.4105.4170.6-172.571.7000108F341 V515 L516 C519 Y521 Y522 W523 L531 V539F341-L607 HydrophobicContact CD2-CD2 4.33Å; F341-L607 HydrophobicContact CE2-CD2 3.72Å; V515-L607 HydrophobicContact CG1-CD1 3.91Å; L516-L607 HydrophobicContact CD2-CD1 4.25Å; L516-L607 HydrophobicContact CD2-CD2 3.74Å; C519-L607 HydrophobicContact CB-CB 3.9Å; Y521-L607 WeakPolarHBondContact O-CB 2.97Å; Y521-L607 PolarHBondContact O-N 3.11Å; Y522-L607 WeakPolarHBondContact CA-O 3.35Å; W523-L607 PolarHBondContact N-O 3.07Å; L531-L607 HydrophobicContact CD1-CD2 4.03Å; V539-L607 HydrophobicContact CG2-CD2 4.26Å
608T35.6Very low40Very low0 Ų022.1 Ų22.10%012%0.118CC..EExtended strand (participates in β ladder)trans-94-11.6-172.546.10000113.3P399 L555 S556 L606P399-T608 HydrophobicContact CB-CG2 3.48Å; P399-T608 VanDerWaalsContact CB-CG2 3.48Å; P399-T608 HydrophobicContact CG-CG2 4.38Å; L555-T608 PolarHBondContact O-N 3.13Å; L555-T608 PolarHBondContact O-OG1 2.75Å; S556-T608 WeakPolarHBondContact CA-OG1 3.41Å; L606-T608 HydrophobicContact CD2-CG2 4.06Å; L606-T608 HydrophobicContact CG-CG2 4.17Å; L606-T608 PolarHBondContact O-N 3.48Å
609N42.6Very low41.8Very low2 Ų219.9 Ų19.91%0.01111%0.108CC..EExtended strand (participates in β ladder)trans160.8164.9159.9-77.8-21.5000111.9F339 F340 H396 L400 L555F339-N609 WeakPolarHBondContact O-CB 3.42Å; F340-N609 WeakPolarHBondContact CA-OD1 3.24Å; F340-N609 HydrophobicContact CB-CB 4.17Å; F340-N609 WeakPolarHBondContact CB-ND2 3.32Å; F340-N609 WeakPolarHBondContact CB-OD1 3.47Å; H396-N609 PolarHBondContact O-ND2 3.01Å; L400-N609 HydrophobicContact CD1-CB 3.7Å; L555-N609 PolarHBondContact N-O 3.2Å; L555-N609 PolarHBondContact O-N 2.82Å
610A32.9Very low43.7Very low6 Ų617.2 Ų17.25%0.059%0.093CC..EExtended strand (participates in β ladder)trans-105.2114.7168.100000108.4F339 V539F339-A610 VanDerWaalsContact CA-O 3.31Å; F339-A610 WeakPolarHBondContact CA-O 3.49Å; F339-A610 HydrophobicContact CB-CB 4.35Å; F339-A610 WeakPolarHBondContact CB-O 3.24Å; F339-A610 HydrophobicContact CD1-CB 4.02Å; F339-A610 PolarHBondContact N-O 2.99Å; F339-A610 PolarHBondContact O-N 3.24Å; F339-A610 VanDerWaalsContact O-O 3.1Å; V539-A610 HydrophobicContact CG1-CB 3.94Å
611D37.8Very low45.3Very low1 Ų117 Ų171%0.0059%0.09CC..EExtended strand (participates in β ladder)trans-98.1129.9-179.7-141.89.1000109A338 L400 L444 L553 S613A338-D611 WeakPolarHBondContact CA-OD1 3.38Å; A338-D611 VanDerWaalsContact CB-OD1 3.25Å; A338-D611 WeakPolarHBondContact CB-OD1 3.32Å; L400-D611 HydrophobicContact CD1-CB 4.17Å; L444-D611 WeakPolarHBondContact CD2-OD2 3.37Å; L553-D611 PolarHBondContact N-O 3.38Å; L553-D611 PolarHBondContact O-N 3.22Å; D611-S613 PolarHBondContact O-N 3.31Å
612K40.4Very low47.4Very low9 Ų920.4 Ų20.44%0.03911%0.109CC..EExtended strand (participates in β ladder)trans-79.158.8160.7-161-169.5178.8-166.40107.3E336 K337 F542 H546 A550E336-K612 PolarHBondContact N-O 2.97Å; E336-K612 IonicContact OE2-NZ 2.64Å; E336-K612 PolarHBondContact OE2-NZ 2.99Å; K337-K612 HydrophobicContact CB-CB 3.78Å; K337-K612 HydrophobicContact CB-CD 4.09Å; K337-K612 HydrophobicContact CD-CD 4.05Å; K337-K612 HydrophobicContact CG-CD 3.94Å; K337-K612 CarbonylContact O-C 3.29Å; K337-K612 VanDerWaalsContact O-CA 3.26Å; K337-K612 WeakPolarHBondContact O-CA 3.43Å; K337-K612 WeakPolarHBondContact O-CB 3.34Å; K337-K612 PolarHBondContact O-N 2.98Å; F542-K612 HydrophobicContact CE1-CB 4.35Å; F542-K612 HydrophobicContact CZ-CB 4.27Å; H546-K612 HydrophobicContact CB-CD 4.32Å; H546-K612 PolarHBondContact CD2-NZ 2.92Å; A550-K612 HydrophobicContact CB-CD 4.49Å; A550-K612 HydrophobicContact CB-CG 4.31Å
613S36.1Very low49.6Very low1 Ų120 Ų201%0.00711%0.107CC..  trans-81.212116253.90000106.3L441 Y551 L553 D611L441-S613 WeakPolarHBondContact CD2-OG 3.28Å; Y551-S613 VanDerWaalsContact O-O 3.11Å; L553-S613 WeakPolarHBondContact CB-OG 3.44Å; L553-S613 WeakPolarHBondContact CD2-OG 3.5Å; D611-S613 PolarHBondContact O-N 3.31Å
614D39.2Very low52Low8 Ų818 Ų184%0.04310%0.101CC..SBendtrans86.7108.6173.1-70.9-13.9000120R439 A550 Y551R439-D614 VanDerWaalsContact CB-OD1 3.26Å; R439-D614 WeakPolarHBondContact CB-OD1 3.41Å; R439-D614 WeakPolarHBondContact CB-OD2 3.34Å; R439-D614 WeakPolarHBondContact CD-OD1 3.33Å; R439-D614 VanDerWaalsContact CD-OD2 3.25Å; R439-D614 WeakPolarHBondContact CD-OD2 3.33Å; R439-D614 WeakPolarHBondContact CG-OD1 3.39Å; R439-D614 WeakPolarHBondContact CG-OD2 3.42Å; R439-D614 IonicContact CZ-OD1 3.69Å; R439-D614 VanDerWaalsContact CZ-OD1 3.23Å; R439-D614 IonicContact CZ-OD2 3Å; R439-D614 PolarHBondContact N-OD2 3.45Å; R439-D614 IonicContact NE-OD1 3.81Å; R439-D614 PolarHBondContact NE-OD1 2.95Å; R439-D614 IonicContact NE-OD2 2.76Å; R439-D614 PolarHBondContact NE-OD2 3.49Å; R439-D614 VanDerWaalsContact NE-OD2 3.11Å; R439-D614 IonicContact NH1-OD1 2.65Å; R439-D614 PolarHBondContact NH1-OD1 3.25Å; R439-D614 IonicContact NH1-OD2 3.94Å; A550-D614 CarbonylContact C-O 3.54Å; Y551-D614 CarbonylContact C-O 3.48Å; Y551-D614 WeakPolarHBondContact CA-O 3.38Å; Y551-D614 WeakPolarHBondContact CB-O 3.32Å; Y551-D614 HydrophobicContact CD1-CB 4.5Å; Y551-D614 PolarHBondContact N-O 2.89Å
615G44.8Very low54.4Low3 Ų319.6 Ų19.63%0.03111%0.107CC..  trans153.6-12.6130.700000118.3T549 L617 R649T549-G615 CarbonylContact O-C 3.39Å; G615-L617 PolarHBondContact O-N 3Å; G615-R649 VanDerWaalsContact O-CZ 3.22Å; G615-R649 PolarHBondContact O-NE 3.23Å; G615-R649 PolarHBondContact O-NH2 2.88Å
616T50Low56.3Low9 Ų919.8 Ų19.86%0.05511%0.108CC..  trans-71.2104.6163.74.30000106.3E336 L618 V652E336-T616 PolarHBondContact OE2-OG1 2.92Å; T616-L618 PolarHBondContact O-N 3.42Å; T616-V652 HydrophobicContact CG2-CG1 3.9Å
617L58.9Low58.6Low8 Ų819.5 Ų19.54%0.04211%0.107CC..PPolyproline II helixtrans-52.7118165.1-118.478.3000105.5K325 S329 P333 G615 F653K325-L617 HydrophobicContact CG-CD1 4.07Å; K325-L617 HydrophobicContact CG-CD2 3.74Å; K325-L617 HydrophobicContact CG-CG 4.44Å; S329-L617 WeakPolarHBondContact OG-CD2 3.23Å; S329-L617 VanDerWaalsContact OG-CG 3.29Å; S329-L617 WeakPolarHBondContact OG-CG 3.49Å; P333-L617 HydrophobicContact CG-CD1 4.4Å; G615-L617 PolarHBondContact O-N 3Å; L617-F653 HydrophobicContact CB-CD2 3.59Å; L617-F653 HydrophobicContact CB-CE2 3.7Å; L617-F653 HydrophobicContact CB-CG 4.21Å; L617-F653 HydrophobicContact CB-CZ 4.43Å; L617-F653 HydrophobicContact CD2-CD2 4.44Å; L617-F653 HydrophobicContact CD2-CE1 4.25Å; L617-F653 HydrophobicContact CD2-CE2 4.05Å; L617-F653 HydrophobicContact CD2-CZ 3.94Å; L617-F653 HydrophobicContact CG-CE2 4.39Å; L617-F653 WeakPolarHBondContact O-CD2 3.44Å
618L66.2Low60.6Low55 Ų5524.2 Ų24.229%0.28813%0.129SC..PPolyproline II helixtrans-90.6123.9174.1-135.783.1000107.3S329 T616 K656S329-L618 WeakPolarHBondContact CA-O 2.95Å; S329-L618 VanDerWaalsContact CB-O 3.29Å; S329-L618 WeakPolarHBondContact CB-O 2.92Å; T616-L618 PolarHBondContact O-N 3.42Å; L618-K656 HydrophobicContact CD1-CD 4.08Å; L618-K656 VanDerWaalsContact CD1-NZ 3.33Å
619P72.2Confident62.7Low12 Ų1226.7 Ų26.78%0.07814%0.14CC..BIsolated β-bridgetrans-65.5146.2172.826.9-30.8000109.2L328 V624 F653 K656 M657L328-P619 WeakPolarHBondContact O-CA 3.12Å; P619-V624 HydrophobicContact CG-CG2 4.37Å; P619-F653 HydrophobicContact CB-CE2 3.92Å; P619-F653 HydrophobicContact CB-CZ 4.43Å; P619-F653 HydrophobicContact CG-CE2 4.36Å; P619-K656 HydrophobicContact CG-CB 3.75Å; P619-K656 WeakPolarHBondContact CG-O 3.41Å; P619-M657 HydrophobicContact CB-CB 4.48Å; P619-M657 HydrophobicContact CB-CG 3.38Å; P619-M657 HydrophobicContact CB-SD 4.43Å; P619-M657 HydrophobicContact CG-CG 3.81Å
620K75.1Confident64.6Low10 Ų1026.6 Ų26.64%0.04314%0.14CC..PPolyproline II helixtrans-62.1139.8173.4-69.1176.3175.2-178.20108.9L328 W330 D622 I623 V624 M797L328-K620 PolarHBondContact O-N 3.2Å; W330-K620 HydrophobicContact CD2-CD 4.47Å; W330-K620 HydrophobicContact CD2-CG 4.12Å; W330-K620 HydrophobicContact CE3-CD 4.48Å; W330-K620 HydrophobicContact CG-CG 4.45Å; W330-K620 HydrophobicContact CZ2-CG 4.23Å; K620-D622 PolarHBondContact O-N 3.43Å; K620-I623 HydrophobicContact CB-CB 4.37Å; K620-I623 HydrophobicContact CB-CG1 3.89Å; K620-I623 WeakPolarHBondContact O-CB 3.36Å; K620-I623 PolarHBondContact O-N 3.38Å; K620-V624 PolarHBondContact O-N 2.86Å; K620-M797 PolarHBondContact NZ-SD 2.83Å
621P74.1Confident66.9Low49 Ų4930.2 Ų30.232%0.31816%0.158SC..Hα-helixtrans-56.7-37.6179.924.3-34.6000111.2T377 I623 V624 H625T377-P621 HydrophobicContact CG2-CB 4.24Å; T377-P621 HydrophobicContact CG2-CG 3.8Å; P621-I623 VanDerWaalsContact C-N 3.26Å; P621-I623 PolarHBondContact O-N 3.34Å; P621-V624 WeakPolarHBondContact O-CB 3.27Å; P621-V624 PolarHBondContact O-N 3.17Å; P621-V624 VanDerWaalsContact O-N 3.17Å; P621-H625 PolarHBondContact O-N 3.01Å
622D75.1Confident68.9Low78 Ų7835.8 Ų35.842%0.41718%0.183SC..Hα-helixtrans-65.8-30.4179.6-46.6-34.2000111.9K620 H625 L626 F838K620-D622 PolarHBondContact O-N 3.43Å; D622-H625 PolarHBondContact O-N 3.49Å; D622-L626 PolarHBondContact O-N 3.45Å; D622-F838 HydrophobicContact CB-CD1 4.31Å; D622-F838 HydrophobicContact CB-CD2 4.39Å; D622-F838 HydrophobicContact CB-CE1 3.39Å; D622-F838 HydrophobicContact CB-CE2 3.45Å; D622-F838 VanDerWaalsContact CB-CE2 3.45Å; D622-F838 HydrophobicContact CB-CZ 2.93Å; D622-F838 WeakPolarHBondContact O-CE1 3.02Å
623I80.1Confident70.6Confident9 Ų935.6 Ų35.65%0.04618%0.182CC..Hα-helixtrans-69.2-36.8175.5-66-67.9000111.4L328 K620 P621 H625 L626 V627 M657 F838L328-I623 HydrophobicContact CD2-CD1 4.18Å; L328-I623 HydrophobicContact CD2-CG2 3.81Å; K620-I623 HydrophobicContact CB-CB 4.37Å; K620-I623 HydrophobicContact CB-CG1 3.89Å; K620-I623 WeakPolarHBondContact O-CB 3.36Å; K620-I623 PolarHBondContact O-N 3.38Å; P621-I623 VanDerWaalsContact C-N 3.26Å; P621-I623 PolarHBondContact O-N 3.34Å; I623-H625 VanDerWaalsContact C-N 3.31Å; I623-H625 PolarHBondContact O-N 3.3Å; I623-L626 HydrophobicContact CD1-CD2 4.17Å; I623-L626 WeakPolarHBondContact O-CB 3.42Å; I623-L626 PolarHBondContact O-N 3.3Å; I623-V627 HydrophobicContact CG2-CG2 4.48Å; I623-V627 WeakPolarHBondContact O-CG2 3.4Å; I623-V627 PolarHBondContact O-N 2.7Å; I623-M657 HydrophobicContact CG2-SD 4.44Å; I623-F838 HydrophobicContact CD1-CZ 4.48Å
624V82.5Confident72.6Confident38 Ų3835.6 Ų35.623%0.2318%0.182CC..Hα-helixtrans-61.6-45174.6-175.50000109.7P619 K620 P621 L626 V627 E628P619-V624 HydrophobicContact CG-CG2 4.37Å; K620-V624 PolarHBondContact O-N 2.86Å; P621-V624 WeakPolarHBondContact O-CB 3.27Å; P621-V624 PolarHBondContact O-N 3.17Å; P621-V624 VanDerWaalsContact O-N 3.17Å; V624-L626 VanDerWaalsContact C-N 3.34Å; V624-L626 PolarHBondContact O-N 3.49Å; V624-V627 PolarHBondContact O-N 3.46Å; V624-E628 PolarHBondContact O-N 2.73Å
625H81.9Confident74.7Confident94 Ų9435.3 Ų35.344%0.43518%0.181SC..Hα-helixtrans-63.1-39.3174.7-176.8-96.9000112.4P621 D622 I623 E628 Q629P621-H625 PolarHBondContact O-N 3.01Å; D622-H625 PolarHBondContact O-N 3.49Å; I623-H625 VanDerWaalsContact C-N 3.31Å; I623-H625 PolarHBondContact O-N 3.3Å; H625-E628 PolarHBondContact O-N 3.27Å; H625-Q629 PolarHBondContact CE1-NE2 2.92Å; H625-Q629 WeakPolarHBondContact O-CB 3.36Å; H625-Q629 WeakPolarHBondContact O-CG 3.19Å; H625-Q629 PolarHBondContact O-N 3.08Å
626L79.9Confident76.5Confident5 Ų537.2 Ų37.23%0.02619%0.187CC..Hα-helixtrans-61.3-43.9174.3178.664.4000111.6F322 D622 I623 V624 E628 Q629 L630 F838F322-L626 HydrophobicContact CZ-CD2 4.49Å; D622-L626 PolarHBondContact O-N 3.45Å; I623-L626 HydrophobicContact CD1-CD2 4.17Å; I623-L626 WeakPolarHBondContact O-CB 3.42Å; I623-L626 PolarHBondContact O-N 3.3Å; V624-L626 VanDerWaalsContact C-N 3.34Å; V624-L626 PolarHBondContact O-N 3.49Å; L626-E628 VanDerWaalsContact C-N 3.35Å; L626-E628 PolarHBondContact O-N 2.86Å; L626-Q629 PolarHBondContact O-N 3.48Å; L626-L630 HydrophobicContact CD1-CD1 4.23Å; L626-L630 HydrophobicContact CD1-CG 4.15Å; L626-L630 HydrophobicContact CG-CD1 3.99Å; L626-L630 HydrophobicContact CG-CG 4.34Å; L626-L630 WeakPolarHBondContact O-CB 3.43Å; L626-L630 VanDerWaalsContact O-CG 3.22Å; L626-L630 WeakPolarHBondContact O-CG 3.25Å; L626-L630 PolarHBondContact O-N 3.29Å; L626-F838 HydrophobicContact CB-CE1 4.23Å
627V84.2Confident78.2Confident12 Ų1237.3 Ų37.37%0.07319%0.186CC..Hα-helixtrans-60.2-45.9177.1171.50000110.4I623 V624 Q629 L630 D631 F637 L659I623-V627 HydrophobicContact CG2-CG2 4.48Å; I623-V627 WeakPolarHBondContact O-CG2 3.4Å; I623-V627 PolarHBondContact O-N 2.7Å; V624-V627 PolarHBondContact O-N 3.46Å; V627-Q629 PolarHBondContact O-N 3.48Å; V627-L630 PolarHBondContact O-N 3.02Å; V627-D631 WeakPolarHBondContact O-CB 3.17Å; V627-D631 PolarHBondContact O-N 3.15Å; V627-F637 HydrophobicContact CG1-CB 4.49Å; V627-F637 HydrophobicContact CG2-CD1 4.39Å; V627-F637 HydrophobicContact CG2-CD2 3.81Å; V627-F637 HydrophobicContact CG2-CE2 3.96Å; V627-F637 HydrophobicContact CG2-CG 4.02Å; V627-F637 HydrophobicContact CG2-CZ 4.34Å; V627-L659 HydrophobicContact CG1-CD2 3.84Å
628E84Confident79.6Confident100 Ų10037 Ų3747%0.46719%0.185SC..Hα-helixtrans-62.3-40.6175.5-71.5-175.4-171.400113V624 H625 L626 D631 K632V624-E628 PolarHBondContact O-N 2.73Å; H625-E628 PolarHBondContact O-N 3.27Å; L626-E628 VanDerWaalsContact C-N 3.35Å; L626-E628 PolarHBondContact O-N 2.86Å; E628-D631 PolarHBondContact O-N 3.45Å; E628-K632 WeakPolarHBondContact O-CB 3.36Å; E628-K632 VanDerWaalsContact O-CG 3.29Å; E628-K632 WeakPolarHBondContact O-CG 3.23Å; E628-K632 PolarHBondContact O-N 2.95Å; E628-K632 IonicContact OE2-NZ 3.68Å
629Q79.6Confident80.6Confident52 Ų5234.3 Ų34.324%0.24317%0.171CC..Hα-helixtrans-65.3-42.8176.5-76.9-174.6-37.200111.7H625 L626 V627 D631 K632 S633H625-Q629 PolarHBondContact CE1-NE2 2.92Å; H625-Q629 WeakPolarHBondContact O-CB 3.36Å; H625-Q629 WeakPolarHBondContact O-CG 3.19Å; H625-Q629 PolarHBondContact O-N 3.08Å; L626-Q629 PolarHBondContact O-N 3.48Å; V627-Q629 PolarHBondContact O-N 3.48Å; Q629-D631 VanDerWaalsContact C-N 3.33Å; Q629-D631 PolarHBondContact O-N 3.46Å; Q629-K632 PolarHBondContact O-N 2.96Å; Q629-S633 VanDerWaalsContact O-CB 3.27Å; Q629-S633 WeakPolarHBondContact O-CB 3.34Å; Q629-S633 PolarHBondContact O-N 3.46Å; Q629-S633 PolarHBondContact O-OG 2.9Å
630L80.7Confident81.3Confident0 Ų034.5 Ų34.50%017%0.17CC..Hα-helixtrans-62.9-40.9176.6-71173.2000111.2N320 L626 V627 S633 C634 I635 F637 I844N320-L630 WeakPolarHBondContact ND2-CD1 3.31Å; L626-L630 HydrophobicContact CD1-CD1 4.23Å; L626-L630 HydrophobicContact CD1-CG 4.15Å; L626-L630 HydrophobicContact CG-CD1 3.99Å; L626-L630 HydrophobicContact CG-CG 4.34Å; L626-L630 WeakPolarHBondContact O-CB 3.43Å; L626-L630 VanDerWaalsContact O-CG 3.22Å; L626-L630 WeakPolarHBondContact O-CG 3.25Å; L626-L630 PolarHBondContact O-N 3.29Å; V627-L630 PolarHBondContact O-N 3.02Å; L630-S633 CarbonylContact O-C 3.46Å; L630-S633 VanDerWaalsContact O-C 3.3Å; L630-S633 WeakPolarHBondContact O-CA 3.17Å; L630-S633 PolarHBondContact O-N 3.27Å; L630-C634 PolarHBondContact O-N 2.84Å; L630-C634 VanDerWaalsContact O-N 3.13Å; L630-I635 CarbonylContact C-O 3.48Å; L630-I635 HydrophobicContact CB-CB 4.22Å; L630-I635 HydrophobicContact CD2-CB 4.23Å; L630-I635 HydrophobicContact CD2-CD1 3.84Å; L630-I635 HydrophobicContact CD2-CG2 4.3Å; L630-I635 PolarHBondContact O-N 3.07Å; L630-F637 HydrophobicContact CD1-CD2 3.97Å; L630-I844 HydrophobicContact CD2-CD1 3.91Å
631D82.2Confident81.7Confident82 Ų8234 Ų3444%0.43917%0.168SC..Hα-helixtrans-64.7-45.9176.4-165.755.2000111.7V627 E628 Q629 S633 C634 F1093V627-D631 WeakPolarHBondContact O-CB 3.17Å; V627-D631 PolarHBondContact O-N 3.15Å; E628-D631 PolarHBondContact O-N 3.45Å; Q629-D631 VanDerWaalsContact C-N 3.33Å; Q629-D631 PolarHBondContact O-N 3.46Å; D631-S633 PolarHBondContact O-N 3.44Å; D631-C634 WeakPolarHBondContact O-CA 3.31Å; D631-C634 PolarHBondContact O-N 3.35Å; D631-F1093 WeakPolarHBondContact OD1-CE1 3.06Å
632K80.3Confident81.9Confident118 Ų11835.8 Ų35.851%0.51317%0.171SC..Hα-helixtrans-57.2-37.2171.6-73.3168.6-173.5161.70111.9E628 Q629 C634E628-K632 WeakPolarHBondContact O-CB 3.36Å; E628-K632 VanDerWaalsContact O-CG 3.29Å; E628-K632 WeakPolarHBondContact O-CG 3.23Å; E628-K632 PolarHBondContact O-N 2.95Å; E628-K632 IonicContact OE2-NZ 3.68Å; Q629-K632 PolarHBondContact O-N 2.96Å; K632-C634 PolarHBondContact O-N 3.48Å
633S74.9Confident81.8Confident4 Ų433.4 Ų33.43%0.02816%0.157CC..THydrogen-bonded Turntrans-79.78.6175.1-69.30000113.6Q629 L630 D631 I635 R848 T914Q629-S633 VanDerWaalsContact O-CB 3.27Å; Q629-S633 WeakPolarHBondContact O-CB 3.34Å; Q629-S633 PolarHBondContact O-N 3.46Å; Q629-S633 PolarHBondContact O-OG 2.9Å; L630-S633 CarbonylContact O-C 3.46Å; L630-S633 VanDerWaalsContact O-C 3.3Å; L630-S633 WeakPolarHBondContact O-CA 3.17Å; L630-S633 PolarHBondContact O-N 3.27Å; D631-S633 PolarHBondContact O-N 3.44Å; S633-I635 VanDerWaalsContact C-N 3.31Å; S633-I635 PolarHBondContact O-N 3.01Å; S633-R848 VanDerWaalsContact O-CZ 3.23Å; S633-R848 PolarHBondContact O-NH1 2.65Å; S633-R848 PolarHBondContact O-NH2 3.48Å; S633-T914 WeakPolarHBondContact CA-O 2.95Å; S633-T914 PolarHBondContact OG-O 3.16Å
634C79.6Confident81.2Confident2 Ų236.5 Ų36.51%0.01417%0.174CC..THydrogen-bonded Turntrans56.838.9-179.4-62.20000113.8L630 D631 K632 V917 F1093L630-C634 PolarHBondContact O-N 2.84Å; L630-C634 VanDerWaalsContact O-N 3.13Å; D631-C634 WeakPolarHBondContact O-CA 3.31Å; D631-C634 PolarHBondContact O-N 3.35Å; K632-C634 PolarHBondContact O-N 3.48Å; C634-V917 HydrophobicContact CB-CB 4.47Å; C634-V917 HydrophobicContact CB-CG1 4.03Å; C634-V917 HydrophobicContact CB-CG2 4.26Å; C634-F1093 VanDerWaalsContact C-CZ 3.47Å; C634-F1093 HydrophobicContact CB-CD1 4.31Å; C634-F1093 HydrophobicContact CB-CD2 4.1Å; C634-F1093 HydrophobicContact CB-CE1 4.44Å; C634-F1093 HydrophobicContact CB-CE2 4.2Å; C634-F1093 HydrophobicContact CB-CG 4.15Å; C634-F1093 HydrophobicContact CB-CZ 4.4Å; C634-F1093 VanDerWaalsContact O-CE2 3.25Å; C634-F1093 WeakPolarHBondContact O-CE2 3.26Å
635I81.6Confident80.3Confident1 Ų136.5 Ų36.51%0.00517%0.172CC..  trans-113.2118.3171.7-58.3176.8000107.6L630 S633 I844 R848L630-I635 CarbonylContact C-O 3.48Å; L630-I635 HydrophobicContact CB-CB 4.22Å; L630-I635 HydrophobicContact CD2-CB 4.23Å; L630-I635 HydrophobicContact CD2-CD1 3.84Å; L630-I635 HydrophobicContact CD2-CG2 4.3Å; L630-I635 PolarHBondContact O-N 3.07Å; S633-I635 VanDerWaalsContact C-N 3.31Å; S633-I635 PolarHBondContact O-N 3.01Å; I635-I844 HydrophobicContact CD1-CD1 3.95Å; I635-I844 HydrophobicContact CD1-CG2 3.85Å; I635-R848 VanDerWaalsContact CD1-NH2 3.32Å
636R83.4Confident79Confident43 Ų4337.2 Ų37.216%0.16217%0.171CC..  trans-71.1133.6173.3-63.1-166.8176.7-138.6-1.2109.7R319 N320 L744 F1093 T1095R319-R636 WeakPolarHBondContact CA-O 3.5Å; R319-R636 HydrophobicContact CG-CB 4.16Å; R319-R636 PolarHBondContact N-O 3.15Å; N320-R636 PolarHBondContact N-O 3.39Å; R636-L744 PolarHBondContact NH1-O 3.23Å; R636-F1093 HydrophobicContact CB-CE2 4.49Å; R636-F1093 HydrophobicContact CG-CD2 4.27Å; R636-F1093 HydrophobicContact CG-CE2 3.41Å; R636-F1093 VanDerWaalsContact CG-CE2 3.41Å; R636-F1093 HydrophobicContact CG-CZ 3.8Å; R636-F1093 PolarHBondContact NH2-O 2.62Å; R636-T1095 PolarHBondContact NH2-O 2.63Å
637F85.8Confident77.9Confident11 Ų1138.3 Ų38.35%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-91.2131170.4-173.6-80.1000109.1F322 L328 V627 L630 H639 L659F322-F637 HydrophobicContact CB-CZ 4.07Å; F322-F637 AromaticContact CD2-CD2 3.98Å; F322-F637 HydrophobicContact CD2-CD2 3.98Å; F322-F637 HydrophobicContact CD2-CE1 4.35Å; F322-F637 AromaticContact CD2-CE2 3.17Å; F322-F637 HydrophobicContact CD2-CE2 3.17Å; F322-F637 AromaticContact CD2-CZ 3.4Å; F322-F637 HydrophobicContact CD2-CZ 3.4Å; F322-F637 AromaticContact CE2-CD2 3.82Å; F322-F637 HydrophobicContact CE2-CD2 3.82Å; F322-F637 AromaticContact CE2-CE2 3.19Å; F322-F637 HydrophobicContact CE2-CE2 3.19Å; F322-F637 AromaticContact CE2-CZ 3.93Å; F322-F637 HydrophobicContact CE2-CZ 3.93Å; F322-F637 HydrophobicContact CG-CE2 4.03Å; F322-F637 AromaticContact CG-CZ 3.91Å; F322-F637 HydrophobicContact CG-CZ 3.91Å; F322-F637 HydrophobicContact CZ-CE2 4.09Å; L328-F637 HydrophobicContact CD1-CZ 4.26Å; L328-F637 HydrophobicContact CD2-CE2 4.4Å; L328-F637 HydrophobicContact CD2-CZ 3.81Å; V627-F637 HydrophobicContact CG1-CB 4.49Å; V627-F637 HydrophobicContact CG2-CD1 4.39Å; V627-F637 HydrophobicContact CG2-CD2 3.81Å; V627-F637 HydrophobicContact CG2-CE2 3.96Å; V627-F637 HydrophobicContact CG2-CG 4.02Å; V627-F637 HydrophobicContact CG2-CZ 4.34Å; L630-F637 HydrophobicContact CD1-CD2 3.97Å; F637-H639 HydrophobicContact CE1-CB 4.24Å; F637-L659 HydrophobicContact CB-CD2 4.01Å; F637-L659 HydrophobicContact CD1-CD1 3.7Å; F637-L659 HydrophobicContact CD1-CD2 3.66Å; F637-L659 HydrophobicContact CD1-CG 4.26Å; F637-L659 HydrophobicContact CE1-CD1 3.91Å; F637-L659 HydrophobicContact CG-CD2 4.17Å
638V87.8Confident77Confident1 Ų140 Ų401%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-129.1124.1179.7179.50000110.4R319 N320 V321 F640 S746 F748R319-V638 HydrophobicContact CB-CG2 4.13Å; R319-V638 HydrophobicContact CG-CG2 3.65Å; N320-V638 CarbonylContact O-C 3.45Å; N320-V638 PolarHBondContact O-N 3.25Å; V321-V638 WeakPolarHBondContact CA-O 3.37Å; V638-F640 HydrophobicContact CB-CE2 4.4Å; V638-F640 HydrophobicContact CG1-CD2 3.91Å; V638-F640 HydrophobicContact CG1-CE2 3.53Å; V638-F640 HydrophobicContact CG1-CZ 4.44Å; V638-S746 CarbonylContact C-O 3.6Å; V638-S746 WeakPolarHBondContact CA-O 3.29Å; V638-F748 HydrophobicContact CG1-CD2 3.52Å; V638-F748 HydrophobicContact CG1-CE2 3.55Å
639H86.9Confident76.3Confident0 Ų037.9 Ų37.90%018%0.177CC..EExtended strand (participates in β ladder)trans-99.8123.6-178.1-176.1-121.4000110.7T324 F637 F653 L659 S746 L747 F748T324-H639 WeakPolarHBondContact CG2-CE1 3.48Å; T324-H639 WeakPolarHBondContact CG2-NE2 3.5Å; F637-H639 HydrophobicContact CE1-CB 4.24Å; H639-F653 AromaticContact CE1-CD1 3.95Å; H639-L659 HydrophobicContact CB-CD1 4.11Å; H639-S746 PolarHBondContact N-O 3.03Å; H639-L747 HydrophobicContact CB-CD1 4.06Å; H639-L747 VanDerWaalsContact ND1-CD1 3.31Å; H639-L747 WeakPolarHBondContact ND1-CD1 3.44Å; H639-L747 WeakPolarHBondContact O-CA 3.37Å; H639-F748 PolarHBondContact O-N 3.47Å
640F87.6Confident76Confident15 Ų1535.5 Ų35.57%0.06617%0.166CC..EExtended strand (participates in β ladder)trans-103.5106.1174.7-78.5-109.1000108.4V321 V638 L669 F748 C751 M759 M763V321-F640 HydrophobicContact CB-CD2 3.96Å; V321-F640 HydrophobicContact CB-CE2 4.17Å; V321-F640 HydrophobicContact CG1-CB 3.97Å; V321-F640 HydrophobicContact CG1-CD2 3.25Å; V321-F640 HydrophobicContact CG1-CE2 3.84Å; V321-F640 HydrophobicContact CG1-CG 3.73Å; V321-F640 HydrophobicContact CG2-CD2 3.7Å; V321-F640 HydrophobicContact CG2-CE2 3.38Å; V321-F640 HydrophobicContact CG2-CZ 4.3Å; V638-F640 HydrophobicContact CB-CE2 4.4Å; V638-F640 HydrophobicContact CG1-CD2 3.91Å; V638-F640 HydrophobicContact CG1-CE2 3.53Å; V638-F640 HydrophobicContact CG1-CZ 4.44Å; F640-L669 HydrophobicContact CD1-CD1 4.31Å; F640-L669 HydrophobicContact CE1-CD1 4.13Å; F640-F748 HydrophobicContact CD1-CB 4.03Å; F640-F748 HydrophobicContact CD1-CG 4.47Å; F640-F748 HydrophobicContact CD2-CD2 4.34Å; F640-F748 HydrophobicContact CE1-CB 4.2Å; F640-F748 HydrophobicContact CE1-CD2 4.09Å; F640-F748 HydrophobicContact CE1-CG 4.16Å; F640-F748 AromaticContact CE2-CD2 3.91Å; F640-F748 HydrophobicContact CE2-CD2 3.91Å; F640-F748 HydrophobicContact CE2-CE2 4.46Å; F640-F748 HydrophobicContact CG-CB 4.36Å; F640-F748 AromaticContact CZ-CD2 3.78Å; F640-F748 HydrophobicContact CZ-CD2 3.78Å; F640-F748 HydrophobicContact CZ-CE2 4.26Å; F640-F748 HydrophobicContact CZ-CG 4.31Å; F640-C751 HydrophobicContact CB-CB 4.3Å; F640-C751 HydrophobicContact CD1-CB 4.3Å; F640-C751 VanDerWaalsContact CD1-SG 3.57Å; F640-M759 HydrophobicContact CE1-CB 3.97Å; F640-M759 HydrophobicContact CE1-CG 4.01Å; F640-M759 HydrophobicContact CZ-CB 4.23Å; F640-M759 HydrophobicContact CZ-CG 3.91Å; F640-M763 HydrophobicContact CE2-CE 4.45Å; F640-M763 HydrophobicContact CZ-CE 4.11Å
641S83.3Confident75.8Confident0 Ų039.6 Ų39.60%018%0.182CC..  trans-98.5134179.6-1690000111.5E643 S650 F748 T749 D750 C751S641-E643 PolarHBondContact OG-N 3.04Å; S641-S650 WeakPolarHBondContact CB-OG 3.25Å; S641-S650 PolarHBondContact OG-OG 2.93Å; S641-F748 PolarHBondContact N-O 3.47Å; S641-T749 CarbonylContact O-C 3.53Å; S641-D750 PolarHBondContact O-N 2.8Å; S641-C751 VanDerWaalsContact O-CB 3.3Å; S641-C751 WeakPolarHBondContact O-CB 3.3Å; S641-C751 PolarHBondContact O-N 3.42Å; S641-C751 PolarHBondContact O-SG 2.83Å; S641-C751 VanDerWaalsContact O-SG 3.38Å
642K78.8Confident75.4Confident86 Ų8637 Ų3737%0.37417%0.168SC..SBendtrans-73.9-15168.5-63.6-168.8169.8-171.60112.3C751 E780K642-C751 WeakPolarHBondContact CG-O 3.46Å; K642-E780 IonicContact NZ-OE2 3.81Å; K642-E780 PolarHBondContact NZ-OE2 3.26Å
643E72.7Confident75.3Confident28 Ų2831.6 Ų31.613%0.13115%0.145CC..SBendtrans-73.2154.4179.5-55.5-173.4154.100111.6S641 R649 S650 T749 D750S641-E643 PolarHBondContact OG-N 3.04Å; E643-R649 WeakPolarHBondContact OE1-CD 3.27Å; E643-R649 IonicContact OE1-CZ 3.51Å; E643-R649 IonicContact OE1-NE 2.72Å; E643-R649 IonicContact OE1-NH1 3.26Å; E643-R649 PolarHBondContact OE1-NH1 2.86Å; E643-R649 WeakPolarHBondContact OE2-CB 3.45Å; E643-S650 WeakPolarHBondContact CB-OG 3.28Å; E643-S650 PolarHBondContact OE2-N 2.56Å; E643-S650 PolarHBondContact OE2-OG 2.83Å; E643-T749 WeakPolarHBondContact O-CB 3.45Å; E643-D750 PolarHBondContact O-N 3.25Å
644N67.8Low75.6Confident74 Ų7431.4 Ų31.440%0.39614%0.144SC..  trans-70.8149.9-173.1-58.137.6000113.5Y646 A647 D750N644-Y646 PolarHBondContact O-N 3.18Å; N644-A647 WeakPolarHBondContact O-CA 3.19Å; N644-A647 WeakPolarHBondContact O-CB 3.45Å; N644-A647 PolarHBondContact O-N 2.66Å; N644-D750 WeakPolarHBondContact CA-OD1 3.41Å; N644-D750 WeakPolarHBondContact CB-OD1 3.38Å
645E62.7Low75.7Confident39 Ų3937.1 Ų37.118%0.18217%0.17CC..THydrogen-bonded Turntrans-51.7-41.5177.1-167.3-168.3147.100112.9A647 H666 S668 K726 T749 D750E645-A647 PolarHBondContact O-N 3.14Å; E645-H666 WeakPolarHBondContact CG-NE2 3.37Å; E645-S668 WeakPolarHBondContact OE2-CB 3.06Å; E645-K726 VanDerWaalsContact OE1-CE 3.3Å; E645-K726 WeakPolarHBondContact OE1-CE 3.36Å; E645-K726 IonicContact OE1-NZ 3.3Å; E645-K726 PolarHBondContact OE1-NZ 3.01Å; E645-K726 VanDerWaalsContact OE2-CE 3.3Å; E645-K726 WeakPolarHBondContact OE2-CE 3.45Å; E645-K726 IonicContact OE2-NZ 2.63Å; E645-K726 PolarHBondContact OE2-NZ 2.78Å; E645-T749 VanDerWaalsContact CA-OG1 3.32Å; E645-T749 WeakPolarHBondContact CA-OG1 3.35Å; E645-T749 WeakPolarHBondContact CB-OG1 3.27Å; E645-D750 WeakPolarHBondContact CB-OD2 3.31Å; E645-D750 PolarHBondContact N-OD2 3.11Å
646Y55.7Low75.6Confident109 Ų10940.2 Ų40.243%0.42718%0.184SC..THydrogen-bonded Turntrans-74.6-10.5-179.6-56.9-73.8000113.1P482 N644 L648 K726P482-Y646 HydrophobicContact CB-CD1 3.72Å; P482-Y646 HydrophobicContact CB-CE1 3.86Å; N644-Y646 PolarHBondContact O-N 3.18Å; Y646-L648 PolarHBondContact O-N 3.44Å; Y646-K726 PolarHBondContact OH-NZ 2.91Å
647A56.6Low75.5Confident27 Ų2738.2 Ų38.222%0.22318%0.176CC..  trans-78.9102.517400000109.4N644 E645 R649 S650N644-A647 WeakPolarHBondContact O-CA 3.19Å; N644-A647 WeakPolarHBondContact O-CB 3.45Å; N644-A647 PolarHBondContact O-N 2.66Å; E645-A647 PolarHBondContact O-N 3.14Å; A647-R649 PolarHBondContact O-N 2.95Å; A647-S650 PolarHBondContact O-N 2.84Å
648L65.5Low75.4Confident49 Ų4940.4 Ų40.426%0.25720%0.202SC..Hα-helixtrans-55.3-16.7174.8-75.9175000113.6M548 Y646 R651 V652M548-L648 HydrophobicContact CB-CB 4.46Å; M548-L648 HydrophobicContact CB-CD1 3.94Å; M548-L648 HydrophobicContact CE-CD1 3.66Å; M548-L648 HydrophobicContact CE-CG 4.26Å; M548-L648 HydrophobicContact CG-CD1 4.36Å; Y646-L648 PolarHBondContact O-N 3.44Å; L648-R651 WeakPolarHBondContact O-CB 3.42Å; L648-R651 PolarHBondContact O-N 2.86Å; L648-V652 WeakPolarHBondContact O-CG2 3.22Å; L648-V652 PolarHBondContact O-N 2.74Å
649R69.5Low75.1Confident55 Ų5541.2 Ų41.221%0.20821%0.206CC..Hα-helixtrans-59.3-48.3179.7-171.3175.7-172-156.314.2113.8G615 E643 A647 R651 V652 F653G615-R649 VanDerWaalsContact O-CZ 3.22Å; G615-R649 PolarHBondContact O-NE 3.23Å; G615-R649 PolarHBondContact O-NH2 2.88Å; E643-R649 WeakPolarHBondContact OE1-CD 3.27Å; E643-R649 IonicContact OE1-CZ 3.51Å; E643-R649 IonicContact OE1-NE 2.72Å; E643-R649 IonicContact OE1-NH1 3.26Å; E643-R649 PolarHBondContact OE1-NH1 2.86Å; E643-R649 WeakPolarHBondContact OE2-CB 3.45Å; A647-R649 PolarHBondContact O-N 2.95Å; R649-R651 VanDerWaalsContact C-N 3.28Å; R649-R651 PolarHBondContact O-N 2.83Å; R649-V652 PolarHBondContact O-N 2.88Å; R649-F653 VanDerWaalsContact O-CB 3.3Å; R649-F653 WeakPolarHBondContact O-CB 3.42Å; R649-F653 PolarHBondContact O-N 3.28Å
650S73.2Confident74.6Confident2 Ų244.5 Ų44.51%0.01422%0.222CC..Hα-helixtrans-66.7-32.5178.3-80.20000112.5S641 E643 A647 A654S641-S650 WeakPolarHBondContact CB-OG 3.25Å; S641-S650 PolarHBondContact OG-OG 2.93Å; E643-S650 WeakPolarHBondContact CB-OG 3.28Å; E643-S650 PolarHBondContact OE2-N 2.56Å; E643-S650 PolarHBondContact OE2-OG 2.83Å; A647-S650 PolarHBondContact O-N 2.84Å; S650-A654 WeakPolarHBondContact O-CB 3.25Å; S650-A654 PolarHBondContact O-N 2.77Å
651R76.3Confident73.6Confident86 Ų8644.3 Ų44.333%0.32522%0.223SC..Hα-helixtrans-67-51174.5-166.9-177.379.7174.94.1111.4L648 R649 F653 A654 E655 A661L648-R651 WeakPolarHBondContact O-CB 3.42Å; L648-R651 PolarHBondContact O-N 2.86Å; R649-R651 VanDerWaalsContact C-N 3.28Å; R649-R651 PolarHBondContact O-N 2.83Å; R651-F653 VanDerWaalsContact C-N 3.26Å; R651-F653 PolarHBondContact O-N 3.48Å; R651-A654 PolarHBondContact O-N 3.31Å; R651-E655 PolarHBondContact O-N 3.38Å; R651-A661 WeakPolarHBondContact CD-O 3.38Å; R651-A661 HydrophobicContact CG-CB 3.73Å; R651-A661 WeakPolarHBondContact CG-O 3.29Å; R651-A661 VanDerWaalsContact O-CB 3.23Å; R651-A661 WeakPolarHBondContact O-CB 3.49Å
652V74Confident72.9Confident26 Ų2645.9 Ų45.916%0.15824%0.239CC..Hα-helixtrans-62.6-36.7177.2172.50000111T549 T616 L648 R649 E655 K656T549-V652 HydrophobicContact CG2-CG2 3.82Å; T616-V652 HydrophobicContact CG2-CG1 3.9Å; L648-V652 WeakPolarHBondContact O-CG2 3.22Å; L648-V652 PolarHBondContact O-N 2.74Å; R649-V652 PolarHBondContact O-N 2.88Å; V652-E655 PolarHBondContact O-N 3.44Å; V652-K656 HydrophobicContact CG1-CD 4.41Å; V652-K656 HydrophobicContact CG1-CG 4.5Å; V652-K656 WeakPolarHBondContact O-CB 3.3Å; V652-K656 WeakPolarHBondContact O-CG 3.29Å; V652-K656 PolarHBondContact O-N 2.85Å
653F77.4Confident72Confident6 Ų647.9 Ų47.93%0.02624%0.244CC..Hα-helixtrans-64.2-44.9174.9-176.3-121.5000112.2T324 L328 L617 P619 H639 R649 R651 K656 M657T324-F653 HydrophobicContact CG2-CD1 4.37Å; T324-F653 HydrophobicContact CG2-CE1 4.15Å; L328-F653 HydrophobicContact CB-CE1 4.18Å; L328-F653 HydrophobicContact CB-CZ 3.8Å; L328-F653 HydrophobicContact CD1-CE1 4.2Å; L617-F653 HydrophobicContact CB-CD2 3.59Å; L617-F653 HydrophobicContact CB-CE2 3.7Å; L617-F653 HydrophobicContact CB-CG 4.21Å; L617-F653 HydrophobicContact CB-CZ 4.43Å; L617-F653 HydrophobicContact CD2-CD2 4.44Å; L617-F653 HydrophobicContact CD2-CE1 4.25Å; L617-F653 HydrophobicContact CD2-CE2 4.05Å; L617-F653 HydrophobicContact CD2-CZ 3.94Å; L617-F653 HydrophobicContact CG-CE2 4.39Å; L617-F653 WeakPolarHBondContact O-CD2 3.44Å; P619-F653 HydrophobicContact CB-CE2 3.92Å; P619-F653 HydrophobicContact CB-CZ 4.43Å; P619-F653 HydrophobicContact CG-CE2 4.36Å; H639-F653 AromaticContact CE1-CD1 3.95Å; R649-F653 VanDerWaalsContact O-CB 3.3Å; R649-F653 WeakPolarHBondContact O-CB 3.42Å; R649-F653 PolarHBondContact O-N 3.28Å; R651-F653 VanDerWaalsContact C-N 3.26Å; R651-F653 PolarHBondContact O-N 3.48Å; F653-K656 PolarHBondContact O-N 2.85Å; F653-M657 HydrophobicContact CD1-CE 3.42Å; F653-M657 VanDerWaalsContact CD1-CE 3.42Å; F653-M657 HydrophobicContact CD1-SD 4.23Å; F653-M657 HydrophobicContact CE1-CE 3.38Å; F653-M657 HydrophobicContact CE1-SD 3.64Å; F653-M657 HydrophobicContact CE2-CG 4.47Å; F653-M657 HydrophobicContact CE2-SD 4.43Å; F653-M657 HydrophobicContact CG-CE 4.15Å; F653-M657 HydrophobicContact CZ-CE 4.09Å; F653-M657 HydrophobicContact CZ-CG 4.37Å; F653-M657 HydrophobicContact CZ-SD 3.77Å; F653-M657 WeakPolarHBondContact O-CG 3.15Å; F653-M657 PolarHBondContact O-N 3.18Å
654A81.1Confident71.7Confident0 Ų048.1 Ų48.10%025%0.246CC..Hα-helixtrans-61.6-42.5174.800000111.9S650 R651 M657 G658 L659 A661 L747S650-A654 WeakPolarHBondContact O-CB 3.25Å; S650-A654 PolarHBondContact O-N 2.77Å; R651-A654 PolarHBondContact O-N 3.31Å; A654-M657 HydrophobicContact CB-CE 4.49Å; A654-M657 WeakPolarHBondContact O-CB 3.46Å; A654-M657 PolarHBondContact O-N 3.28Å; A654-M657 VanDerWaalsContact O-N 3.14Å; A654-G658 PolarHBondContact O-N 2.98Å; A654-L659 HydrophobicContact CB-CB 4.17Å; A654-L659 HydrophobicContact CB-CD1 4.15Å; A654-L659 VanDerWaalsContact O-CB 3.31Å; A654-L659 WeakPolarHBondContact O-CB 3.14Å; A654-L659 PolarHBondContact O-N 2.89Å; A654-A661 HydrophobicContact CB-CB 4.01Å; A654-L747 HydrophobicContact CB-CD2 4.11Å
655E82Confident71.9Confident122 Ų12245.5 Ų45.557%0.5723%0.234SC*.Hα-helixtrans-60.7-46.2175.7-165175.6176.400111.6R651 V652 M657 G658 A661R651-E655 PolarHBondContact O-N 3.38Å; V652-E655 PolarHBondContact O-N 3.44Å; E655-M657 PolarHBondContact O-N 3.36Å; E655-G658 PolarHBondContact O-N 3.47Å; E655-A661 HydrophobicContact CB-CB 3.93Å
656K80.3Confident72.7Confident66 Ų6644.9 Ų44.929%0.28723%0.231SC..Hα-helixtrans-63.6-26.2175.7-73.4-173174.5-1650112.9E336 L618 P619 V652 F653 G658E336-K656 IonicContact OE1-NZ 2.67Å; E336-K656 PolarHBondContact OE1-NZ 2.89Å; E336-K656 IonicContact OE2-NZ 3.51Å; L618-K656 HydrophobicContact CD1-CD 4.08Å; L618-K656 VanDerWaalsContact CD1-NZ 3.33Å; P619-K656 HydrophobicContact CG-CB 3.75Å; P619-K656 WeakPolarHBondContact CG-O 3.41Å; V652-K656 HydrophobicContact CG1-CD 4.41Å; V652-K656 HydrophobicContact CG1-CG 4.5Å; V652-K656 WeakPolarHBondContact O-CB 3.3Å; V652-K656 WeakPolarHBondContact O-CG 3.29Å; V652-K656 PolarHBondContact O-N 2.85Å; F653-K656 PolarHBondContact O-N 2.85Å; K656-G658 PolarHBondContact O-N 3.32Å
657M81Confident74.1Confident0 Ų039.8 Ų39.80%021%0.211CC..THydrogen-bonded Turntrans-77.5-7.3173.8-77.1-172.8-65.900113.5L328 P619 I623 F653 A654 E655 L659L328-M657 HydrophobicContact CB-SD 4.17Å; L328-M657 HydrophobicContact CD1-CE 4.37Å; L328-M657 HydrophobicContact CD1-SD 3.85Å; L328-M657 HydrophobicContact CG-SD 4.42Å; P619-M657 HydrophobicContact CB-CB 4.48Å; P619-M657 HydrophobicContact CB-CG 3.38Å; P619-M657 HydrophobicContact CB-SD 4.43Å; P619-M657 HydrophobicContact CG-CG 3.81Å; I623-M657 HydrophobicContact CG2-SD 4.44Å; F653-M657 HydrophobicContact CD1-CE 3.42Å; F653-M657 VanDerWaalsContact CD1-CE 3.42Å; F653-M657 HydrophobicContact CD1-SD 4.23Å; F653-M657 HydrophobicContact CE1-CE 3.38Å; F653-M657 HydrophobicContact CE1-SD 3.64Å; F653-M657 HydrophobicContact CE2-CG 4.47Å; F653-M657 HydrophobicContact CE2-SD 4.43Å; F653-M657 HydrophobicContact CG-CE 4.15Å; F653-M657 HydrophobicContact CZ-CE 4.09Å; F653-M657 HydrophobicContact CZ-CG 4.37Å; F653-M657 HydrophobicContact CZ-SD 3.77Å; F653-M657 WeakPolarHBondContact O-CG 3.15Å; F653-M657 PolarHBondContact O-N 3.18Å; A654-M657 HydrophobicContact CB-CE 4.49Å; A654-M657 WeakPolarHBondContact O-CB 3.46Å; A654-M657 PolarHBondContact O-N 3.28Å; A654-M657 VanDerWaalsContact O-N 3.14Å; E655-M657 PolarHBondContact O-N 3.36Å; M657-L659 HydrophobicContact CB-CG 4.26Å; M657-L659 HydrophobicContact CE-CD1 4.02Å
658G82.3Confident75.5Confident57 Ų5738.8 Ų38.859%0.58820%0.202SC*.THydrogen-bonded Turntrans8614.6-173.300000114A654 E655 K656A654-G658 PolarHBondContact O-N 2.98Å; E655-G658 PolarHBondContact O-N 3.47Å; K656-G658 PolarHBondContact O-N 3.32Å
659L82.3Confident76.5Confident18 Ų1836.5 Ų36.59%0.09419%0.19CC..  trans-87.4152.5175.3-55.1175.7000111.2V627 F637 H639 A654 M657 A661V627-L659 HydrophobicContact CG1-CD2 3.84Å; F637-L659 HydrophobicContact CB-CD2 4.01Å; F637-L659 HydrophobicContact CD1-CD1 3.7Å; F637-L659 HydrophobicContact CD1-CD2 3.66Å; F637-L659 HydrophobicContact CD1-CG 4.26Å; F637-L659 HydrophobicContact CE1-CD1 3.91Å; F637-L659 HydrophobicContact CG-CD2 4.17Å; H639-L659 HydrophobicContact CB-CD1 4.11Å; A654-L659 HydrophobicContact CB-CB 4.17Å; A654-L659 HydrophobicContact CB-CD1 4.15Å; A654-L659 VanDerWaalsContact O-CB 3.31Å; A654-L659 WeakPolarHBondContact O-CB 3.14Å; A654-L659 PolarHBondContact O-N 2.89Å; M657-L659 HydrophobicContact CB-CG 4.26Å; M657-L659 HydrophobicContact CE-CD1 4.02Å; L659-A661 PolarHBondContact O-N 3.07Å
660E75.8Confident77.2Confident70 Ų7038.6 Ų38.633%0.32720%0.202SC..  trans-70105.9172.8-69.5177-173.800110C665 S746 K1096E660-C665 VanDerWaalsContact O-CB 3.26Å; E660-C665 WeakPolarHBondContact O-CB 3.37Å; E660-S746 PolarHBondContact O-OG 3.25Å; E660-K1096 WeakPolarHBondContact OE1-CD 3.41Å; E660-K1096 WeakPolarHBondContact OE1-CE 3.32Å; E660-K1096 WeakPolarHBondContact OE1-CG 3.48Å; E660-K1096 IonicContact OE1-NZ 3.42Å; E660-K1096 PolarHBondContact OE1-NZ 3.14Å
661A68Low77.4Confident11 Ų1144.5 Ų44.59%0.09123%0.228CC..  trans-11733.7-17600000112.2R651 A654 E655 L659R651-A661 WeakPolarHBondContact CD-O 3.38Å; R651-A661 HydrophobicContact CG-CB 3.73Å; R651-A661 WeakPolarHBondContact CG-O 3.29Å; R651-A661 VanDerWaalsContact O-CB 3.23Å; R651-A661 WeakPolarHBondContact O-CB 3.49Å; A654-A661 HydrophobicContact CB-CB 4.01Å; E655-A661 HydrophobicContact CB-CB 3.93Å; L659-A661 PolarHBondContact O-N 3.07Å
662G67.3Low76.9Confident33 Ų3347 Ų4734%0.3424%0.243SC..  trans-64.4171.5174.400000113.3N664 C665G662-N664 PolarHBondContact O-N 3.14Å; G662-C665 PolarHBondContact O-N 2.74Å; G662-C665 VanDerWaalsContact O-N 3.15Å
663W60.3Low75.8Confident127 Ų12754 Ų5448%0.48127%0.274SS..THydrogen-bonded Turntrans-65.1-17.7-178.464.6-83.2000114.4N720W663-N720 HydrophobicContact CH2-CB 4.06Å; W663-N720 WeakPolarHBondContact CH2-O 3.28Å
664N66.8Low74.1Confident33 Ų3357.6 Ų57.618%0.17630%0.3CS..THydrogen-bonded Turntrans-115.628.4174.2-72.4-28.7000112.9G662 A722 L724 L1097G662-N664 PolarHBondContact O-N 3.14Å; N664-A722 HydrophobicContact CB-CB 4.28Å; N664-A722 WeakPolarHBondContact ND2-CB 3.43Å; N664-L724 HydrophobicContact CB-CD1 4.26Å; N664-L724 WeakPolarHBondContact O-CD1 3.39Å; N664-L1097 VanDerWaalsContact O-CD2 3.26Å; N664-L1097 WeakPolarHBondContact O-CD2 3.42Å
665C72.5Confident71.9Confident20 Ų2062.4 Ų62.414%0.13533%0.331CS..SBendtrans-117.613.1-172.5-58.20000113.6E660 G662 V745E660-C665 VanDerWaalsContact O-CB 3.26Å; E660-C665 WeakPolarHBondContact O-CB 3.37Å; G662-C665 PolarHBondContact O-N 2.74Å; G662-C665 VanDerWaalsContact O-N 3.15Å; C665-V745 WeakPolarHBondContact O-CG1 3.15Å
666H78.6Confident69.8Low26 Ų2661.4 Ų61.412%0.1233%0.329CS..EExtended strand (participates in β ladder)trans-144155.7178.769.2-75.1000112.1E645 L747E645-H666 WeakPolarHBondContact CG-NE2 3.37Å; H666-L747 WeakPolarHBondContact CA-O 3.28Å; H666-L747 HydrophobicContact CB-CB 3.81Å; H666-L747 HydrophobicContact CB-CD2 3.85Å; H666-L747 HydrophobicContact CB-CG 3.85Å; H666-L747 VanDerWaalsContact CB-O 3.31Å; H666-L747 WeakPolarHBondContact CB-O 3.41Å
667I84.8Confident67.6Low2 Ų260.2 Ų60.21%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-127131.6-178.8-71169000108.8L669 L724 P725 P742 V745 L747 F748 T749I667-L669 HydrophobicContact CG2-CD2 4.31Å; I667-L724 HydrophobicContact CD1-CD2 4.11Å; I667-L724 HydrophobicContact CG1-CB 4.35Å; I667-L724 HydrophobicContact CG1-CD2 4.04Å; I667-P725 HydrophobicContact CD1-CG 4.38Å; I667-P725 WeakPolarHBondContact CG2-O 3.15Å; I667-P742 HydrophobicContact CD1-CB 3.7Å; I667-P742 HydrophobicContact CD1-CG 4.2Å; I667-V745 HydrophobicContact CD1-CB 4.33Å; I667-V745 HydrophobicContact CD1-CG2 3.92Å; I667-V745 HydrophobicContact CG1-CG1 4.45Å; I667-V745 HydrophobicContact CG1-CG2 4.26Å; I667-L747 PolarHBondContact N-O 2.9Å; I667-L747 VanDerWaalsContact N-O 3.16Å; I667-F748 HydrophobicContact CB-CD1 3.85Å; I667-F748 HydrophobicContact CB-CE1 3.83Å; I667-F748 HydrophobicContact CD1-CE1 4.06Å; I667-F748 HydrophobicContact CG1-CE1 4.49Å; I667-F748 HydrophobicContact CG2-CD1 4.06Å; I667-F748 HydrophobicContact CG2-CE1 4.05Å; I667-F748 VanDerWaalsContact O-CA 3.31Å; I667-F748 WeakPolarHBondContact O-CA 3.33Å; I667-T749 PolarHBondContact O-N 2.9Å
668S85.9Confident65.4Low5 Ų564.5 Ų64.54%0.03536%0.362CS..EExtended strand (participates in β ladder)trans-84.3131.9168-179.80000110.8E645 E670 G727 T749 D750E645-S668 WeakPolarHBondContact OE2-CB 3.06Å; S668-E670 PolarHBondContact OG-N 3.22Å; S668-G727 PolarHBondContact O-N 3.43Å; S668-T749 WeakPolarHBondContact CA-OG1 3.48Å; S668-D750 WeakPolarHBondContact CB-OD2 3.46Å; S668-D750 PolarHBondContact OG-OD2 3.47Å
669L87.4Confident63.1Low1 Ų166.5 Ų66.51%0.00536%0.359CS..  trans-88.2-7176-61-174.4000113.1F640 I667 I728 F748 T749 M759F640-L669 HydrophobicContact CD1-CD1 4.31Å; F640-L669 HydrophobicContact CE1-CD1 4.13Å; I667-L669 HydrophobicContact CG2-CD2 4.31Å; L669-I728 HydrophobicContact CD2-CD1 4.05Å; L669-I728 PolarHBondContact O-N 3.27Å; L669-F748 HydrophobicContact CD1-CB 4.29Å; L669-F748 HydrophobicContact CD1-CD1 4.47Å; L669-F748 HydrophobicContact CD2-CD1 3.73Å; L669-F748 HydrophobicContact CD2-CE1 4.31Å; L669-F748 HydrophobicContact CG-CB 4.33Å; L669-F748 HydrophobicContact CG-CD1 4.13Å; L669-T749 PolarHBondContact N-O 3.33Å; L669-M759 HydrophobicContact CD1-CB 4.43Å
670E83.2Confident60.7Low99 Ų9969.3 Ų69.346%0.46337%0.374SS..SBendtrans-72.5143.5175.7-170.2174.3-148.200111.1S668 G727 D750S668-E670 PolarHBondContact OG-N 3.22Å; E670-G727 WeakPolarHBondContact O-CA 3.3Å; E670-G727 PolarHBondContact O-N 2.97Å; E670-G727 VanDerWaalsContact O-N 3.15Å; E670-D750 HydrophobicContact CB-CB 3.62Å
671K77.3Confident58.6Low126 Ų12676.3 Ų76.355%0.54840%0.397SS..  trans-67.8141.1177.3-55.4-157.8172.3-174.80110.4H673 E729K671-H673 PolarHBondContact O-N 2.95Å; K671-E729 WeakPolarHBondContact CB-OE1 3.33Å; K671-E729 VanDerWaalsContact CD-OE1 3.29Å; K671-E729 WeakPolarHBondContact CD-OE1 3.3Å; K671-E729 VanDerWaalsContact CE-OE2 3.24Å; K671-E729 WeakPolarHBondContact CE-OE2 3.47Å; K671-E729 WeakPolarHBondContact CG-OE1 3.24Å
672E65.5Low57.1Low139 Ų13982 Ų8265%0.6543%0.425SS*.  trans-72.899.6173.9-162.1168.7-152.200109.6S674E672-S674 PolarHBondContact O-N 2.96Å; E672-S674 VanDerWaalsContact O-N 3.09Å
673H51.7Low55.5Low173 Ų17386.2 Ų86.280%0.80144%0.439SS*.  trans-70.8101.5169.9-80.7-54000109.2K671K671-H673 PolarHBondContact O-N 2.95Å
674S40.9Very low53.9Low82 Ų8286 Ų8657%0.57345%0.447SS*.  trans-104.3132.2164.862.50000110.3E672E672-S674 PolarHBondContact O-N 2.96Å; E672-S674 VanDerWaalsContact O-N 3.09Å
675P36.3Very low52.2Low101 Ų10189.9 Ų89.966%0.65647%0.474SS*.SBend-115.1-8.410829.8-24.6000113.9
676D37.1Very low50.2Low100 Ų10096.1 Ų96.154%0.53551%0.506SS..THydrogen-bonded Turntrans-90.4-10.5-167.3-58.8-24.7000115.2R483 V678 L679R483-D676 IonicContact NH2-OD2 3.04Å; D676-V678 VanDerWaalsContact C-N 3.31Å; D676-V678 PolarHBondContact O-N 3.38Å; D676-L679 PolarHBondContact O-N 3.45Å
677G34.6Very low47.7Very low42 Ų42101.3 Ų101.343%0.43354%0.535SS..Hα-helixtrans-72.9-20.5176.800000114.3R681G677-R681 PolarHBondContact O-N 2.88Å
678V34Very low45Very low90 Ų90110.2 Ų110.255%0.54558%0.576SS.*Hα-helixtrans-75.8-34.9175.5177.60000110.6D676 L680 R681 L682D676-V678 VanDerWaalsContact C-N 3.31Å; D676-V678 PolarHBondContact O-N 3.38Å; V678-L680 PolarHBondContact O-N 3.2Å; V678-R681 PolarHBondContact O-N 2.9Å; V678-L682 HydrophobicContact CG1-CD1 3.8Å; V678-L682 HydrophobicContact CG1-CG 4.26Å; V678-L682 WeakPolarHBondContact O-CB 3.28Å; V678-L682 VanDerWaalsContact O-CG 3.26Å; V678-L682 WeakPolarHBondContact O-CG 3.4Å; V678-L682 PolarHBondContact O-N 3.35Å
679L34.1Very low42.2Very low98 Ų98116.1 Ų116.151%0.51361%0.611SS.*Hα-helixtrans-68-36.3178.8-156.376.4000111.8D676 L682 L683D676-L679 PolarHBondContact O-N 3.45Å; L679-L682 PolarHBondContact O-N 3.48Å; L679-L683 HydrophobicContact CG-CD1 4.25Å; L679-L683 WeakPolarHBondContact O-CB 3.02Å; L679-L683 VanDerWaalsContact O-CG 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.27Å; L679-L683 PolarHBondContact O-N 3.18Å
680L33.5Very low39.2Very low78 Ų78124.7 Ų124.741%0.40865%0.651SS.*Hα-helixtrans-72.6-28.8176.5-149.881.5000113V678 L684V678-L680 PolarHBondContact O-N 3.2Å; L680-L684 PolarHBondContact O-N 3.31Å
681R30.6Very low36.4Very low217 Ų217131.2 Ų131.282%0.81967%0.672SS**Hα-helixtrans-76.1-26.7170.1-77-171.4-170.41766.6113.1G677 V678G677-R681 PolarHBondContact O-N 2.88Å; V678-R681 PolarHBondContact O-N 2.9Å
682L36.6Very low33.9Very low130 Ų130130.7 Ų130.768%0.68168%0.684SS**Hα-helixtrans-79.8-21.9173.6-71.1170.1000112.9V678 L679V678-L682 HydrophobicContact CG1-CD1 3.8Å; V678-L682 HydrophobicContact CG1-CG 4.26Å; V678-L682 WeakPolarHBondContact O-CB 3.28Å; V678-L682 VanDerWaalsContact O-CG 3.26Å; V678-L682 WeakPolarHBondContact O-CG 3.4Å; V678-L682 PolarHBondContact O-N 3.35Å; L679-L682 PolarHBondContact O-N 3.48Å
683L33.1Very low32Very low122 Ų122129.2 Ų129.264%0.63969%0.688SS**SBendtrans-90.3-7.1177.2-71.9169000114.2L679 P685L679-L683 HydrophobicContact CG-CD1 4.25Å; L679-L683 WeakPolarHBondContact O-CB 3.02Å; L679-L683 VanDerWaalsContact O-CG 3.24Å; L679-L683 WeakPolarHBondContact O-CG 3.27Å; L679-L683 PolarHBondContact O-N 3.18Å; L683-P685 WeakPolarHBondContact O-CD 3.18Å
684L28.5Very low30.8Very low122 Ų122130.6 Ų130.664%0.63969%0.693SS**SBendtrans-10998.2170.1-72.5168.1000108L680 D686L680-L684 PolarHBondContact O-N 3.31Å; L684-D686 PolarHBondContact O-N 2.86Å; L684-D686 VanDerWaalsContact O-N 3.08Å
685P31Very low30Very low115 Ų115131.3 Ų131.375%0.74770%0.697SS**  trans-69.8111.5175.327.5-29.1000108.3L683 N687L683-P685 WeakPolarHBondContact O-CD 3.18Å; P685-N687 PolarHBondContact O-N 2.89Å
686D28.8Very low29.5Very low151 Ų151130.1 Ų130.181%0.80770%0.704SS**  trans-58.4128.2160-81.2-34.4000108.2L684L684-D686 PolarHBondContact O-N 2.86Å; L684-D686 VanDerWaalsContact O-N 3.08Å
687N27.9Very low28.8Very low135 Ų135137.5 Ų137.572%0.72272%0.724SS**  trans76.7104177.8-52.2-41000115.6P685P685-N687 PolarHBondContact O-N 2.89Å
688H27.5Very low28.3Very low188 Ų188141.2 Ų141.287%0.8774%0.744SS**  -170.2118.1112.5-93.1-63.8000111.1H690H688-H690 PolarHBondContact O-N 2.82Å
689V26.3Very low27.8Very low130 Ų130141.9 Ų141.979%0.78875%0.752SS**  trans-58.7116.7155.6172.10000107.4
690H25.7Very low27.3Very low181 Ų181143.7 Ų143.784%0.83877%0.767SS**  trans-170134.7141.6-99.8-63.1000113.6H688H688-H690 PolarHBondContact O-N 2.82Å
691R23.8Very low26.8Very low236 Ų236145.5 Ų145.589%0.89179%0.786SS**  trans-50.1137.1163.8-96.7171.2173.3170.7-1.5112.2
692S23.8Very low26.4Very low115 Ų115140.2 Ų140.280%0.80479%0.789SS**  154.5152.8110.658.70000113.2
693S27Very low25.8Very low107 Ų107142.8 Ų142.875%0.74880%0.797SS**  trans-50.9142-179.948.20000117.2
694F26.1Very low25.4Very low203 Ų203144.2 Ų144.289%0.8981%0.805SS**  trans-157.3135135.2-147.2-108.7000113.5
695S24.6Very low25.2Very low96 Ų96144 Ų14467%0.67181%0.813SS**  trans-75.7141.6170.752.10000111.9
696G25.3Very low24.9Very low77 Ų77143.8 Ų143.879%0.79481%0.81SS**  trans-178.787.2173.700000115.1
697R22.5Very low24.9Very low255 Ų255139.4 Ų139.496%0.96280%0.795SS**  trans-19.9126.8159.1-146.2172.5-166.9170.51.3116.4
698S24.8Very low24.9Very low120 Ų120138.4 Ų138.484%0.83980%0.795SS**  trans-149.7147142.9760000112
699S22.6Very low25.4Very low104 Ų104133.3 Ų133.373%0.72778%0.781SS**  trans-87.5149.6-164.342.30000114.5
700V23.4Very low25.8Very low135 Ų135134.9 Ų134.982%0.81878%0.778SS**  trans66.999.6146.4-177.30000116.9
701S23.1Very low26.2Very low117 Ų117129.3 Ų129.382%0.81876%0.763SS**  trans-155.8107.3140-61.60000106.9E703S701-E703 PolarHBondContact O-N 2.85Å
702A22.8Very low26.6Very low106 Ų106124 Ų12488%0.87675%0.752SS**  trans-84.39517700000108.2
703E23.4Very low27.2Very low183 Ų183120.8 Ų120.886%0.85573%0.733SS**  trans-145.9124.4172.9-105.7171.2-161.600112.1S701S701-E703 PolarHBondContact O-N 2.85Å
704L25.2Very low27.7Very low153 Ų153119.8 Ų119.880%0.80172%0.716SS**  trans48.696.9156.7-133.971.8000118.8V706L704-V706 VanDerWaalsContact C-N 3.28Å; L704-V706 HydrophobicContact CD2-CG2 4.41Å; L704-V706 PolarHBondContact O-N 3.15Å
705S23.2Very low28.1Very low116 Ų116117.6 Ų117.681%0.81171%0.706SS**  trans-66.479.9164.8600000111.7
706V26.2Very low28.7Very low112 Ų112120 Ų12068%0.67971%0.705SS**  trans-76.4127156.2-179.80000106.9L704L704-V706 VanDerWaalsContact C-N 3.28Å; L704-V706 HydrophobicContact CD2-CG2 4.41Å; L704-V706 PolarHBondContact O-N 3.15Å
707A27.1Very low29.2Very low59 Ų59120.8 Ų120.849%0.48869%0.69SS.*  trans-51.7132.8-172.800000112.2S709A707-S709 PolarHBondContact O-N 3.25Å
708P28.7Very low30.1Very low113 Ų113113.7 Ų113.773%0.73467%0.671SS**THydrogen-bonded Turntrans-66.7-0.8-175.7-17.129.1000115.4
709S36.8Very low30.7Very low82 Ų82113.2 Ų113.257%0.57366%0.663SS**Hα-helixtrans-77.6-20.3-173.652.10000114.1A707A707-S709 PolarHBondContact O-N 3.25Å
710F35.5Very low31.4Very low163 Ų163113.2 Ų113.272%0.71566%0.655SS**Hα-helixtrans-85.3-38.6-177.1-91.3-89.9000114.1N712 A713 E714F710-N712 VanDerWaalsContact C-N 3.3Å; F710-N712 PolarHBondContact O-N 3.1Å; F710-A713 PolarHBondContact O-N 3.43Å; F710-E714 PolarHBondContact O-N 3.17Å; F710-E714 VanDerWaalsContact O-N 3.14Å
711A34Very low32.6Very low63 Ų63114.1 Ų114.152%0.52164%0.644SS.*Hα-helixtrans-65.3-31.7-177.300000113.3K715A711-K715 PolarHBondContact O-N 3.39Å
712N33.1Very low33.7Very low125 Ų125110.9 Ų110.967%0.66862%0.624SS**Hα-helixtrans-77.1-29.6176.5-77.8-18.7000112.9F710 F716F710-N712 VanDerWaalsContact C-N 3.3Å; F710-N712 PolarHBondContact O-N 3.1Å; N712-F716 PolarHBondContact O-N 3.2Å
713A35.6Very low35.6Very low48 Ų48116.8 Ų116.840%0.39762%0.624SS.*Hα-helixtrans-68.3-37.8172.400000111.1F710 F716 L717F710-A713 PolarHBondContact O-N 3.43Å; A713-F716 PolarHBondContact O-N 2.91Å; A713-L717 WeakPolarHBondContact O-CB 3.43Å; A713-L717 WeakPolarHBondContact O-CG 3.45Å; A713-L717 PolarHBondContact O-N 3.5Å
714E37.9Very low38Very low85 Ų85109.9 Ų109.940%0.39759%0.592SS.*Hα-helixtrans-65.1-42.4180-156.7170.8-154.400112.5F710 F716 L717 L718F710-E714 PolarHBondContact O-N 3.17Å; F710-E714 VanDerWaalsContact O-N 3.14Å; E714-F716 VanDerWaalsContact C-N 3.33Å; E714-F716 PolarHBondContact O-N 3.44Å; E714-L717 PolarHBondContact O-N 2.82Å; E714-L718 HydrophobicContact CG-CD1 4.43Å; E714-L718 WeakPolarHBondContact O-CD1 3.42Å; E714-L718 PolarHBondContact O-N 2.92Å
715K34.9Very low40.7Very low157 Ų157103.1 Ų103.168%0.68356%0.557SS**Hα-helixtrans-68-30.8177.1-146173.1-172.4176.10113.1A711 T719A711-K715 PolarHBondContact O-N 3.39Å; K715-T719 PolarHBondContact O-OG1 3.34Å
716F35.7Very low43.5Very low147 Ų14799.5 Ų99.565%0.64553%0.527SS*.Hα-helixtrans-77.4-31174.3-154.1-91.2000112.4N712 A713 E714 T719N712-F716 PolarHBondContact O-N 3.2Å; A713-F716 PolarHBondContact O-N 2.91Å; E714-F716 VanDerWaalsContact C-N 3.33Å; E714-F716 PolarHBondContact O-N 3.44Å; F716-T719 PolarHBondContact O-OG1 2.92Å
717L37.3Very low46.4Very low94 Ų9494.1 Ų94.149%0.49250%0.495SS..Hα-helixtrans-72.6-33.2173.8-73.3169.1000112.9A713 E714A713-L717 WeakPolarHBondContact O-CB 3.43Å; A713-L717 WeakPolarHBondContact O-CG 3.45Å; A713-L717 PolarHBondContact O-N 3.5Å; E714-L717 PolarHBondContact O-N 2.82Å
718L40.8Very low49.4Very low106 Ų10691.7 Ų91.756%0.55547%0.473SS*.Hα-helixtrans-71.5-31.1179.2-86.2153.5000113.6E714E714-L718 HydrophobicContact CG-CD1 4.43Å; E714-L718 WeakPolarHBondContact O-CD1 3.42Å; E714-L718 PolarHBondContact O-N 2.92Å
719T37Very low52.3Low110 Ų11089.4 Ų89.468%0.67545%0.453SS*.SBendtrans-86.7-11.2-172.241.20000114.4K715 F716K715-T719 PolarHBondContact O-OG1 3.34Å; F716-T719 PolarHBondContact O-OG1 2.92Å
720N37.7Very low54.8Low103 Ų10388.8 Ų88.855%0.55144%0.443SS*.SBendtrans-119.97.4-174.4-114.6-26.9000114.8W663 A722W663-N720 HydrophobicContact CH2-CB 4.06Å; W663-N720 WeakPolarHBondContact CH2-O 3.28Å; N720-A722 PolarHBondContact O-N 3.05Å
721R48.9Very low57.3Low154 Ų15481 Ų8158%0.58141%0.409SS*.  trans-55.4112.5-174.5-98-177.8173.8172.4-0.4113.3R723R721-R723 PolarHBondContact O-N 2.79Å
722A46.6Very low60.1Low49 Ų4981.1 Ų81.141%0.40540%0.396SS..  trans-59.9129.6156.900000107.8N664 N720 L724N664-A722 HydrophobicContact CB-CB 4.28Å; N664-A722 WeakPolarHBondContact ND2-CB 3.43Å; N720-A722 PolarHBondContact O-N 3.05Å; A722-L724 PolarHBondContact O-N 2.77Å
723R61.9Low62.8Low231 Ų23178.2 Ų78.287%0.87238%0.384SS*.  trans-78.966.3-174.6-71.6-175176.4-173.8-0.2111.5R721 H734R721-R723 PolarHBondContact O-N 2.79Å; R723-H734 PolarHBondContact O-CE1 3.45Å
724L74.5Confident65.3Low37 Ų3776.9 Ų76.919%0.19437%0.369CS..  trans-66.7138.6169-73.9158.5000109.5N664 I667 A722 V741 V745N664-L724 HydrophobicContact CB-CD1 4.26Å; N664-L724 WeakPolarHBondContact O-CD1 3.39Å; I667-L724 HydrophobicContact CD1-CD2 4.11Å; I667-L724 HydrophobicContact CG1-CB 4.35Å; I667-L724 HydrophobicContact CG1-CD2 4.04Å; A722-L724 PolarHBondContact O-N 2.77Å; L724-V741 HydrophobicContact CD2-CG1 3.72Å; L724-V745 HydrophobicContact CD2-CG2 4.39Å
725P81.6Confident67.6Low11 Ų1173.7 Ų73.77%0.07136%0.355CS..  trans-66.3141.4178.127.9-32.8000109.9I667 N730 V731 H734 P742I667-P725 HydrophobicContact CD1-CG 4.38Å; I667-P725 WeakPolarHBondContact CG2-O 3.15Å; P725-N730 HydrophobicContact CB-CB 4.04Å; P725-V731 HydrophobicContact CG-CG2 4.4Å; P725-H734 HydrophobicContact CB-CB 4.1Å; P725-H734 HydrophobicContact CG-CB 4.03Å; P725-P742 HydrophobicContact CG-CG 3.84Å
726K82.4Confident70.1Confident40 Ų4071.7 Ų71.717%0.17435%0.352CS..  trans-109137.5167.1-69-165.5177.4-144.90109.4E645 Y646 N730E645-K726 VanDerWaalsContact OE1-CE 3.3Å; E645-K726 WeakPolarHBondContact OE1-CE 3.36Å; E645-K726 IonicContact OE1-NZ 3.3Å; E645-K726 PolarHBondContact OE1-NZ 3.01Å; E645-K726 VanDerWaalsContact OE2-CE 3.3Å; E645-K726 WeakPolarHBondContact OE2-CE 3.45Å; E645-K726 IonicContact OE2-NZ 2.63Å; E645-K726 PolarHBondContact OE2-NZ 2.78Å; Y646-K726 PolarHBondContact OH-NZ 2.91Å; K726-N730 WeakPolarHBondContact O-CB 3.3Å; K726-N730 PolarHBondContact O-ND2 3.15Å
727G86.7Confident72.5Confident0 Ų071 Ų710%036%0.355CS..SBendtrans85.1139.3-176.200000112.7S668 E670 E729 N730S668-G727 PolarHBondContact O-N 3.43Å; E670-G727 WeakPolarHBondContact O-CA 3.3Å; E670-G727 PolarHBondContact O-N 2.97Å; E670-G727 VanDerWaalsContact O-N 3.15Å; G727-E729 PolarHBondContact O-N 2.88Å; G727-N730 PolarHBondContact O-N 3.44Å; G727-N730 VanDerWaalsContact O-N 3.13Å
728I89.5Confident74.7Confident7 Ų771 Ų714%0.03636%0.359CS..Hα-helixtrans-58.6-35.5-177.2-171.261.8000112.6L669 N730 V731 T755 E758 M759 I762L669-I728 HydrophobicContact CD2-CD1 4.05Å; L669-I728 PolarHBondContact O-N 3.27Å; I728-N730 PolarHBondContact O-N 2.74Å; I728-V731 HydrophobicContact CD1-CG2 4.46Å; I728-V731 WeakPolarHBondContact O-CB 3.49Å; I728-V731 PolarHBondContact O-N 3.29Å; I728-T755 HydrophobicContact CB-CG2 4.41Å; I728-T755 HydrophobicContact CG2-CG2 4.08Å; I728-E758 HydrophobicContact CD1-CB 4.37Å; I728-E758 HydrophobicContact CD1-CG 4.24Å; I728-E758 HydrophobicContact CG1-CB 3.94Å; I728-E758 HydrophobicContact CG1-CG 3.64Å; I728-M759 HydrophobicContact CD1-CB 3.81Å; I728-M759 HydrophobicContact CD1-CG 4.49Å; I728-M759 HydrophobicContact CD1-SD 4.01Å; I728-I762 HydrophobicContact CD1-CD1 3.82Å; I728-I762 HydrophobicContact CG1-CD1 4.43Å
729E89.3Confident76.6Confident65 Ų6569 Ų6930%0.30435%0.348SS..Hα-helixtrans-62.8-28.2179.759.2-86.5-163.600113.5K671 G727 P733K671-E729 WeakPolarHBondContact CB-OE1 3.33Å; K671-E729 VanDerWaalsContact CD-OE1 3.29Å; K671-E729 WeakPolarHBondContact CD-OE1 3.3Å; K671-E729 VanDerWaalsContact CE-OE2 3.24Å; K671-E729 WeakPolarHBondContact CE-OE2 3.47Å; K671-E729 WeakPolarHBondContact CG-OE1 3.24Å; G727-E729 PolarHBondContact O-N 2.88Å; E729-P733 WeakPolarHBondContact O-CD 3.5Å
730N89.1Confident78.8Confident69 Ų6967.8 Ų67.837%0.36934%0.338SS..Hα-helixtrans-88.3-10.1-176.8-69.2-37.1000112.5P725 K726 G727 I728 H734P725-N730 HydrophobicContact CB-CB 4.04Å; K726-N730 WeakPolarHBondContact O-CB 3.3Å; K726-N730 PolarHBondContact O-ND2 3.15Å; G727-N730 PolarHBondContact O-N 3.44Å; G727-N730 VanDerWaalsContact O-N 3.13Å; I728-N730 PolarHBondContact O-N 2.74Å; N730-H734 VanDerWaalsContact O-CB 3.25Å; N730-H734 WeakPolarHBondContact O-CB 3.3Å; N730-H734 PolarHBondContact O-N 3.3Å
731V89.6Confident80.9Confident0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-67.7-45.8-179.6-179.90000111.1P725 I728 H734 L735 P742 M759 I762P725-V731 HydrophobicContact CG-CG2 4.4Å; I728-V731 HydrophobicContact CD1-CG2 4.46Å; I728-V731 WeakPolarHBondContact O-CB 3.49Å; I728-V731 PolarHBondContact O-N 3.29Å; V731-H734 PolarHBondContact O-N 3.05Å; V731-L735 HydrophobicContact CG1-CD1 3.98Å; V731-L735 HydrophobicContact CG1-CG 4.36Å; V731-L735 WeakPolarHBondContact O-CG 3.48Å; V731-L735 PolarHBondContact O-N 2.86Å; V731-P742 HydrophobicContact CG1-CB 3.99Å; V731-M759 HydrophobicContact CG1-CE 4.22Å; V731-M759 HydrophobicContact CG1-SD 4.06Å; V731-M759 HydrophobicContact CG2-SD 4.49Å; V731-I762 HydrophobicContact CB-CD1 4.16Å; V731-I762 HydrophobicContact CG1-CD1 4.21Å; V731-I762 HydrophobicContact CG1-CG2 4.19Å
732R91.9Very high82.6Confident66 Ų6656.7 Ų56.725%0.24929%0.291CS..Hα-helixtrans-62.8-52.4-179.7-63.6168.7175.8-82.50.2112.2H734 L735 D736 I762 E765R732-H734 PolarHBondContact O-N 3.18Å; R732-L735 PolarHBondContact O-N 3.11Å; R732-L735 VanDerWaalsContact O-N 3.12Å; R732-D736 PolarHBondContact O-N 3.25Å; R732-D736 VanDerWaalsContact O-N 3.1Å; R732-I762 HydrophobicContact CG-CD1 3.76Å; R732-I762 HydrophobicContact CG-CG1 3.82Å; R732-E765 IonicContact CZ-OE1 2.68Å; R732-E765 VanDerWaalsContact CZ-OE1 3.3Å; R732-E765 IonicContact CZ-OE2 3.91Å; R732-E765 IonicContact NH1-OE1 2.74Å; R732-E765 PolarHBondContact NH1-OE1 2.8Å; R732-E765 IonicContact NH1-OE2 2.98Å; R732-E765 PolarHBondContact NH1-OE2 2.93Å; R732-E765 IonicContact NH2-OE1 3.9Å; R732-E765 PolarHBondContact NH2-OE1 3.1Å; R732-E765 IonicContact NH2-OE2 3.67Å
733P90.1Very high84.5Confident63 Ų6354.7 Ų54.741%0.40927%0.273SS..Hα-helixtrans-58.4-32.7176.5-23.834000113.4E729 N737E729-P733 WeakPolarHBondContact O-CD 3.5Å; P733-N737 WeakPolarHBondContact O-CB 3.16Å; P733-N737 PolarHBondContact O-N 2.78Å; P733-N737 VanDerWaalsContact O-N 3.15Å; P733-N737 PolarHBondContact O-ND2 3.09Å
734H87.1Confident85.5Confident21 Ų2145.3 Ų45.310%0.09724%0.24CC..Hα-helixtrans-69.2-42.7177.3-167.794.6000111.9R723 P725 N730 V731 R732 D736 N737 V738 D739R723-H734 PolarHBondContact O-CE1 3.45Å; P725-H734 HydrophobicContact CB-CB 4.1Å; P725-H734 HydrophobicContact CG-CB 4.03Å; N730-H734 VanDerWaalsContact O-CB 3.25Å; N730-H734 WeakPolarHBondContact O-CB 3.3Å; N730-H734 PolarHBondContact O-N 3.3Å; V731-H734 PolarHBondContact O-N 3.05Å; R732-H734 PolarHBondContact O-N 3.18Å; H734-D736 VanDerWaalsContact C-N 3.32Å; H734-D736 PolarHBondContact O-N 2.9Å; H734-N737 PolarHBondContact O-N 3.44Å; H734-V738 WeakPolarHBondContact O-CA 3.25Å; H734-V738 VanDerWaalsContact O-CB 3.32Å; H734-V738 WeakPolarHBondContact O-CB 3.44Å; H734-V738 PolarHBondContact O-N 3.44Å; H734-D739 IonicContact CD2-OD1 3.62Å; H734-D739 IonicContact NE2-OD1 2.69Å; H734-D739 PolarHBondContact NE2-OD1 2.84Å; H734-D739 PolarHBondContact O-N 3.46Å
735L87.8Confident85.9Confident17 Ų1743.6 Ų43.69%0.08923%0.231CC..Hα-helixtrans-64.9-35.1177.6-69.5172.7000113V731 R732 D739 P742 L743 I762 Y766V731-L735 HydrophobicContact CG1-CD1 3.98Å; V731-L735 HydrophobicContact CG1-CG 4.36Å; V731-L735 WeakPolarHBondContact O-CG 3.48Å; V731-L735 PolarHBondContact O-N 2.86Å; R732-L735 PolarHBondContact O-N 3.11Å; R732-L735 VanDerWaalsContact O-N 3.12Å; L735-D739 WeakPolarHBondContact CA-O 3.22Å; L735-D739 WeakPolarHBondContact CD2-O 3.44Å; L735-P742 HydrophobicContact CD2-CB 4.07Å; L735-P742 HydrophobicContact CD2-CG 4.02Å; L735-P742 HydrophobicContact CG-CG 4.46Å; L735-L743 HydrophobicContact CD1-CD2 4.28Å; L735-L743 HydrophobicContact CD1-CG 4.34Å; L735-L743 HydrophobicContact CD2-CD1 4.06Å; L735-L743 HydrophobicContact CD2-CG 3.81Å; L735-I762 HydrophobicContact CD1-CG2 3.52Å; L735-Y766 HydrophobicContact CB-CE1 3.87Å; L735-Y766 HydrophobicContact CB-CE2 4.15Å; L735-Y766 VanDerWaalsContact CB-CZ 3.5Å; L735-Y766 WeakPolarHBondContact CB-OH 3.29Å; L735-Y766 HydrophobicContact CD1-CD2 3.96Å; L735-Y766 HydrophobicContact CD1-CE1 4.37Å; L735-Y766 HydrophobicContact CD1-CE2 3.65Å; L735-Y766 HydrophobicContact CD1-CG 4.45Å
736D87.2Confident86Confident115 Ų11543.9 Ų43.962%0.61523%0.234SC*.Hα-helixtrans-75.5-36.7179.3-70.6-38.8000112.7R732 H734 Y766R732-D736 PolarHBondContact O-N 3.25Å; R732-D736 VanDerWaalsContact O-N 3.1Å; H734-D736 VanDerWaalsContact C-N 3.32Å; H734-D736 PolarHBondContact O-N 2.9Å; D736-Y766 PolarHBondContact OD1-OH 2.77Å
737N85.4Confident86.2Confident133 Ų13342 Ų4271%0.71123%0.226SC*.Hα-helixtrans-111.4-17.8-167.1-60.6-63.1000115.3P733 H734P733-N737 WeakPolarHBondContact O-CB 3.16Å; P733-N737 PolarHBondContact O-N 2.78Å; P733-N737 VanDerWaalsContact O-N 3.15Å; P733-N737 PolarHBondContact O-ND2 3.09Å; H734-N737 PolarHBondContact O-N 3.44Å
738V82.7Confident86.3Confident95 Ų9542 Ų4258%0.57623%0.226SC*.THydrogen-bonded Turntrans-118.6-79.4-171.4-171.10000110.8H734H734-V738 WeakPolarHBondContact O-CA 3.25Å; H734-V738 VanDerWaalsContact O-CB 3.32Å; H734-V738 WeakPolarHBondContact O-CB 3.44Å; H734-V738 PolarHBondContact O-N 3.44Å
739D81.1Confident86.1Confident62 Ų6241.9 Ų41.933%0.33223%0.225SC..  trans-160.1176.2-176.766.433.1000112H734 L735 V741H734-D739 IonicContact CD2-OD1 3.62Å; H734-D739 IonicContact NE2-OD1 2.69Å; H734-D739 PolarHBondContact NE2-OD1 2.84Å; H734-D739 PolarHBondContact O-N 3.46Å; L735-D739 WeakPolarHBondContact CA-O 3.22Å; L735-D739 WeakPolarHBondContact CD2-O 3.44Å; D739-V741 HydrophobicContact CB-CG2 4.32Å; D739-V741 WeakPolarHBondContact OD1-CB 3.34Å; D739-V741 WeakPolarHBondContact OD1-CG2 3.5Å; D739-V741 PolarHBondContact OD1-N 2.91Å; D739-V741 VanDerWaalsContact OD2-CG2 3.24Å; D739-V741 WeakPolarHBondContact OD2-CG2 3.18Å
740N83.5Confident85.8Confident86 Ų8639.6 Ų39.646%0.4622%0.215SC..SBendtrans-92.912177.467.4-1.9000113.7P742 L743N740-P742 VanDerWaalsContact C-CD 3.42Å; N740-P742 VanDerWaalsContact C-N 3.32Å; N740-L743 HydrophobicContact CB-CD1 4.46Å; N740-L743 WeakPolarHBondContact O-CB 3.38Å; N740-L743 PolarHBondContact O-N 3.43Å
741V82.2Confident85.7Confident24 Ų2436.7 Ų36.715%0.14520%0.2CC..Hα-helixtrans-57.2-37.5-176.8172.80000112.8L724 D739 L743 L744 V745 L1097L724-V741 HydrophobicContact CD2-CG1 3.72Å; D739-V741 HydrophobicContact CB-CG2 4.32Å; D739-V741 WeakPolarHBondContact OD1-CB 3.34Å; D739-V741 WeakPolarHBondContact OD1-CG2 3.5Å; D739-V741 PolarHBondContact OD1-N 2.91Å; D739-V741 VanDerWaalsContact OD2-CG2 3.24Å; D739-V741 WeakPolarHBondContact OD2-CG2 3.18Å; V741-L743 PolarHBondContact O-N 2.92Å; V741-L744 WeakPolarHBondContact O-CA 3.42Å; V741-L744 PolarHBondContact O-N 3.12Å; V741-V745 HydrophobicContact CG1-CG2 4.4Å; V741-V745 PolarHBondContact O-N 3.23Å; V741-L1097 HydrophobicContact CG1-CD1 4.35Å; V741-L1097 HydrophobicContact CG1-CD2 3.34Å; V741-L1097 HydrophobicContact CG1-CG 3.84Å
742P85.3Confident85.6Confident0 Ų040.2 Ų40.20%022%0.221CC..Hα-helixtrans-58.2-23176-26.534.5000114.4I667 P725 V731 L735 N740 F748I667-P742 HydrophobicContact CD1-CB 3.7Å; I667-P742 HydrophobicContact CD1-CG 4.2Å; P725-P742 HydrophobicContact CG-CG 3.84Å; V731-P742 HydrophobicContact CG1-CB 3.99Å; L735-P742 HydrophobicContact CD2-CB 4.07Å; L735-P742 HydrophobicContact CD2-CG 4.02Å; L735-P742 HydrophobicContact CG-CG 4.46Å; N740-P742 VanDerWaalsContact C-CD 3.42Å; N740-P742 VanDerWaalsContact C-N 3.32Å; P742-F748 WeakPolarHBondContact O-CZ 3.47Å
743L85.2Confident85.2Confident6 Ų638.1 Ų38.13%0.03122%0.218CC..Hα-helixtrans-79.9-29.6172-59174.5000110.6R319 L735 N740 V741 V745 M763 Y766R319-L743 PolarHBondContact NE-O 3.26Å; R319-L743 VanDerWaalsContact NE-O 3.09Å; R319-L743 PolarHBondContact NH1-O 2.78Å; R319-L743 VanDerWaalsContact NH2-C 3.33Å; R319-L743 PolarHBondContact NH2-O 2.97Å; L735-L743 HydrophobicContact CD1-CD2 4.28Å; L735-L743 HydrophobicContact CD1-CG 4.34Å; L735-L743 HydrophobicContact CD2-CD1 4.06Å; L735-L743 HydrophobicContact CD2-CG 3.81Å; N740-L743 HydrophobicContact CB-CD1 4.46Å; N740-L743 WeakPolarHBondContact O-CB 3.38Å; N740-L743 PolarHBondContact O-N 3.43Å; V741-L743 PolarHBondContact O-N 2.92Å; L743-V745 VanDerWaalsContact C-N 3.34Å; L743-V745 PolarHBondContact O-N 3.42Å; L743-M763 HydrophobicContact CD2-CG 4.13Å; L743-Y766 HydrophobicContact CD1-CD1 4.18Å; L743-Y766 HydrophobicContact CD1-CG 4.05Å
744L82.8Confident85.1Confident35 Ų3544.8 Ų44.818%0.18324%0.235CC..Hα-helixtrans-79.1-18.3-175.1-55.2-179.2000113.9R636 V741 L1097R636-L744 PolarHBondContact NH1-O 3.23Å; V741-L744 WeakPolarHBondContact O-CA 3.42Å; V741-L744 PolarHBondContact O-N 3.12Å; L744-L1097 HydrophobicContact CB-CD1 4.25Å
745V83.5Confident85.2Confident1 Ų144.7 Ų44.71%0.00624%0.236CC..  trans-64.5138.4-177.6167.30000112.9C665 I667 L724 V741 L743 L747 F748 L1097C665-V745 WeakPolarHBondContact O-CG1 3.15Å; I667-V745 HydrophobicContact CD1-CB 4.33Å; I667-V745 HydrophobicContact CD1-CG2 3.92Å; I667-V745 HydrophobicContact CG1-CG1 4.45Å; I667-V745 HydrophobicContact CG1-CG2 4.26Å; L724-V745 HydrophobicContact CD2-CG2 4.39Å; V741-V745 HydrophobicContact CG1-CG2 4.4Å; V741-V745 PolarHBondContact O-N 3.23Å; L743-V745 VanDerWaalsContact C-N 3.34Å; L743-V745 PolarHBondContact O-N 3.42Å; V745-L747 WeakPolarHBondContact CG1-O 3.35Å; V745-F748 HydrophobicContact CB-CZ 4.39Å; V745-F748 HydrophobicContact CG1-CE2 4.42Å; V745-F748 HydrophobicContact CG1-CZ 4.29Å; V745-L1097 HydrophobicContact CG2-CD1 4.44Å
746S84.6Confident85.3Confident17 Ų1744.2 Ų44.212%0.11923%0.234CC..SBendtrans-97.8-9.4-179.844.70000114.8V638 H639 E660V638-S746 CarbonylContact C-O 3.6Å; V638-S746 WeakPolarHBondContact CA-O 3.29Å; H639-S746 PolarHBondContact N-O 3.03Å; E660-S746 PolarHBondContact O-OG 3.25Å
747L85.8Confident85.4Confident1 Ų139.8 Ų39.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-135.1124.2-178.1178.464.4000111.5H639 A654 H666 I667 V745 T749H639-L747 HydrophobicContact CB-CD1 4.06Å; H639-L747 VanDerWaalsContact ND1-CD1 3.31Å; H639-L747 WeakPolarHBondContact ND1-CD1 3.44Å; H639-L747 WeakPolarHBondContact O-CA 3.37Å; A654-L747 HydrophobicContact CB-CD2 4.11Å; H666-L747 WeakPolarHBondContact CA-O 3.28Å; H666-L747 HydrophobicContact CB-CB 3.81Å; H666-L747 HydrophobicContact CB-CD2 3.85Å; H666-L747 HydrophobicContact CB-CG 3.85Å; H666-L747 VanDerWaalsContact CB-O 3.31Å; H666-L747 WeakPolarHBondContact CB-O 3.41Å; I667-L747 PolarHBondContact N-O 2.9Å; I667-L747 VanDerWaalsContact N-O 3.16Å; V745-L747 WeakPolarHBondContact CG1-O 3.35Å; L747-T749 HydrophobicContact CD2-CG2 4.37Å; L747-T749 HydrophobicContact CG-CG2 4.2Å
748F88.6Confident85.6Confident0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-111136.1166.9-66.5-84.8000109.4V638 H639 F640 S641 I667 L669 P742 V745 M759 M763V638-F748 HydrophobicContact CG1-CD2 3.52Å; V638-F748 HydrophobicContact CG1-CE2 3.55Å; H639-F748 PolarHBondContact O-N 3.47Å; F640-F748 HydrophobicContact CD1-CB 4.03Å; F640-F748 HydrophobicContact CD1-CG 4.47Å; F640-F748 HydrophobicContact CD2-CD2 4.34Å; F640-F748 HydrophobicContact CE1-CB 4.2Å; F640-F748 HydrophobicContact CE1-CD2 4.09Å; F640-F748 HydrophobicContact CE1-CG 4.16Å; F640-F748 AromaticContact CE2-CD2 3.91Å; F640-F748 HydrophobicContact CE2-CD2 3.91Å; F640-F748 HydrophobicContact CE2-CE2 4.46Å; F640-F748 HydrophobicContact CG-CB 4.36Å; F640-F748 AromaticContact CZ-CD2 3.78Å; F640-F748 HydrophobicContact CZ-CD2 3.78Å; F640-F748 HydrophobicContact CZ-CE2 4.26Å; F640-F748 HydrophobicContact CZ-CG 4.31Å; S641-F748 PolarHBondContact N-O 3.47Å; I667-F748 HydrophobicContact CB-CD1 3.85Å; I667-F748 HydrophobicContact CB-CE1 3.83Å; I667-F748 HydrophobicContact CD1-CE1 4.06Å; I667-F748 HydrophobicContact CG1-CE1 4.49Å; I667-F748 HydrophobicContact CG2-CD1 4.06Å; I667-F748 HydrophobicContact CG2-CE1 4.05Å; I667-F748 VanDerWaalsContact O-CA 3.31Å; I667-F748 WeakPolarHBondContact O-CA 3.33Å; L669-F748 HydrophobicContact CD1-CB 4.29Å; L669-F748 HydrophobicContact CD1-CD1 4.47Å; L669-F748 HydrophobicContact CD2-CD1 3.73Å; L669-F748 HydrophobicContact CD2-CE1 4.31Å; L669-F748 HydrophobicContact CG-CB 4.33Å; L669-F748 HydrophobicContact CG-CD1 4.13Å; P742-F748 WeakPolarHBondContact O-CZ 3.47Å; V745-F748 HydrophobicContact CB-CZ 4.39Å; V745-F748 HydrophobicContact CG1-CE2 4.42Å; V745-F748 HydrophobicContact CG1-CZ 4.29Å; F748-M759 HydrophobicContact CE1-CE 3.79Å; F748-M759 HydrophobicContact CE1-CG 4.38Å; F748-M759 HydrophobicContact CE1-SD 4.14Å; F748-M759 HydrophobicContact CE2-CE 4.4Å; F748-M759 HydrophobicContact CZ-CE 3.52Å; F748-M759 HydrophobicContact CZ-CG 4.43Å; F748-M759 HydrophobicContact CZ-SD 4.37Å; F748-M763 HydrophobicContact CE2-CE 3.66Å; F748-M763 HydrophobicContact CZ-CE 3.98Å
749T84.8Confident86.1Confident3 Ų331.8 Ų31.82%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-115.9165.7178.163.30000110.9S641 E643 E645 I667 S668 L669 L747 C751S641-T749 CarbonylContact O-C 3.53Å; E643-T749 WeakPolarHBondContact O-CB 3.45Å; E645-T749 VanDerWaalsContact CA-OG1 3.32Å; E645-T749 WeakPolarHBondContact CA-OG1 3.35Å; E645-T749 WeakPolarHBondContact CB-OG1 3.27Å; I667-T749 PolarHBondContact O-N 2.9Å; S668-T749 WeakPolarHBondContact CA-OG1 3.48Å; L669-T749 PolarHBondContact N-O 3.33Å; L747-T749 HydrophobicContact CD2-CG2 4.37Å; L747-T749 HydrophobicContact CG-CG2 4.2Å; T749-C751 PolarHBondContact O-N 2.85Å
750D84.4Confident86.4Confident18 Ų1828.9 Ų28.910%0.09615%0.149CC..SBendtrans56.137.3-176.8-50.1-85.2000112.8S641 E643 N644 E645 S668 E670S641-D750 PolarHBondContact O-N 2.8Å; E643-D750 PolarHBondContact O-N 3.25Å; N644-D750 WeakPolarHBondContact CA-OD1 3.41Å; N644-D750 WeakPolarHBondContact CB-OD1 3.38Å; E645-D750 WeakPolarHBondContact CB-OD2 3.31Å; E645-D750 PolarHBondContact N-OD2 3.11Å; S668-D750 WeakPolarHBondContact CB-OD2 3.46Å; S668-D750 PolarHBondContact OG-OD2 3.47Å; E670-D750 HydrophobicContact CB-CB 3.62Å
751C86.2Confident86.6Confident8 Ų827.8 Ų27.85%0.05414%0.141CC..  trans-76.8131.4-177.2-620000111.4F640 S641 K642 T749F640-C751 HydrophobicContact CB-CB 4.3Å; F640-C751 HydrophobicContact CD1-CB 4.3Å; F640-C751 VanDerWaalsContact CD1-SG 3.57Å; S641-C751 VanDerWaalsContact O-CB 3.3Å; S641-C751 WeakPolarHBondContact O-CB 3.3Å; S641-C751 PolarHBondContact O-N 3.42Å; S641-C751 PolarHBondContact O-SG 2.83Å; S641-C751 VanDerWaalsContact O-SG 3.38Å; K642-C751 WeakPolarHBondContact CG-O 3.46Å; T749-C751 PolarHBondContact O-N 2.85Å
752T86.6Confident86.9Confident73 Ų7326.7 Ų26.745%0.44813%0.134SC..  trans-110.6164165.1670000108.8R754 T755 S756T752-R754 PolarHBondContact O-N 3.43Å; T752-T755 PolarHBondContact N-OG1 2.89Å; T752-T755 PolarHBondContact O-N 2.85Å; T752-T755 PolarHBondContact O-OG1 2.89Å; T752-T755 WeakPolarHBondContact OG1-CG2 3.33Å; T752-T755 PolarHBondContact OG1-N 3.28Å; T752-T755 VanDerWaalsContact OG1-N 3.1Å; T752-T755 PolarHBondContact OG1-OG1 3.31Å; T752-S756 VanDerWaalsContact O-CB 3.28Å; T752-S756 WeakPolarHBondContact O-CB 3.34Å; T752-S756 PolarHBondContact O-N 3.43Å; T752-S756 PolarHBondContact O-OG 2.94Å
753A84Confident87.1Confident23 Ų2326.7 Ų26.719%0.1913%0.134CC..Hα-helixtrans-57.2-39.1176.500000111.8C757 E780 I784A753-C757 WeakPolarHBondContact O-CB 2.95Å; A753-C757 PolarHBondContact O-N 3.35Å; A753-C757 PolarHBondContact O-SG 3.31Å; A753-E780 HydrophobicContact CB-CB 4.08Å; A753-I784 HydrophobicContact CB-CD1 4.25Å; A753-I784 HydrophobicContact CB-CG1 4.31Å
754R87.4Confident87Confident202 Ų20228.2 Ų28.276%0.76214%0.141SC*.Hα-helixtrans-65.7-51.5177-175.8179178.1167.91.7112.5T752 S756 C757 E758T752-R754 PolarHBondContact O-N 3.43Å; R754-S756 VanDerWaalsContact C-N 3.27Å; R754-S756 PolarHBondContact O-N 2.97Å; R754-C757 WeakPolarHBondContact O-CB 3.43Å; R754-C757 PolarHBondContact O-N 2.9Å; R754-E758 PolarHBondContact O-N 3.39Å
755T90.4Very high87Confident20 Ų2031.4 Ų31.412%0.12316%0.155CC..Hα-helixtrans-66.8-31.6-17956.10000111.8I728 T752 E758 M759I728-T755 HydrophobicContact CB-CG2 4.41Å; I728-T755 HydrophobicContact CG2-CG2 4.08Å; T752-T755 PolarHBondContact N-OG1 2.89Å; T752-T755 PolarHBondContact O-N 2.85Å; T752-T755 PolarHBondContact O-OG1 2.89Å; T752-T755 WeakPolarHBondContact OG1-CG2 3.33Å; T752-T755 PolarHBondContact OG1-N 3.28Å; T752-T755 VanDerWaalsContact OG1-N 3.1Å; T752-T755 PolarHBondContact OG1-OG1 3.31Å; T755-E758 PolarHBondContact O-N 3.48Å; T755-M759 WeakPolarHBondContact O-CB 3.22Å; T755-M759 PolarHBondContact O-N 3.33Å
756S89.7Confident87.1Confident7 Ų734.9 Ų34.95%0.04917%0.168CC..Hα-helixtrans-65.6-46.6172.9-54.90000111.4T752 R754 E758 M759 I760T752-S756 VanDerWaalsContact O-CB 3.28Å; T752-S756 WeakPolarHBondContact O-CB 3.34Å; T752-S756 PolarHBondContact O-N 3.43Å; T752-S756 PolarHBondContact O-OG 2.94Å; R754-S756 VanDerWaalsContact C-N 3.27Å; R754-S756 PolarHBondContact O-N 2.97Å; S756-E758 VanDerWaalsContact C-N 3.33Å; S756-E758 PolarHBondContact O-N 2.85Å; S756-M759 PolarHBondContact O-N 2.9Å; S756-I760 WeakPolarHBondContact O-CD1 3.2Å; S756-I760 WeakPolarHBondContact O-CG1 3.47Å; S756-I760 PolarHBondContact O-N 3.36Å
757C89.1Confident86.7Confident22 Ų2234.4 Ų34.415%0.14917%0.166CC..Hα-helixtrans-58.4-43.3174.6-75.10000112.5A753 R754 I760 E761 I784 R787A753-C757 WeakPolarHBondContact O-CB 2.95Å; A753-C757 PolarHBondContact O-N 3.35Å; A753-C757 PolarHBondContact O-SG 3.31Å; R754-C757 WeakPolarHBondContact O-CB 3.43Å; R754-C757 PolarHBondContact O-N 2.9Å; C757-I760 PolarHBondContact O-N 2.99Å; C757-E761 PolarHBondContact O-N 3.28Å; C757-I784 VanDerWaalsContact SG-CA 3.58Å; C757-R787 HydrophobicContact CB-CB 4.48Å; C757-R787 HydrophobicContact CB-CG 4.28Å
758E90.2Very high86.4Confident60 Ų6034.9 Ų34.928%0.2817%0.168SC..Hα-helixtrans-67.3-40.1179-173.6171-175.900111.7I728 R754 T755 S756 I760 E761 I762I728-E758 HydrophobicContact CD1-CB 4.37Å; I728-E758 HydrophobicContact CD1-CG 4.24Å; I728-E758 HydrophobicContact CG1-CB 3.94Å; I728-E758 HydrophobicContact CG1-CG 3.64Å; R754-E758 PolarHBondContact O-N 3.39Å; T755-E758 PolarHBondContact O-N 3.48Å; S756-E758 VanDerWaalsContact C-N 3.33Å; S756-E758 PolarHBondContact O-N 2.85Å; E758-I760 VanDerWaalsContact C-N 3.35Å; E758-I760 PolarHBondContact O-N 3.4Å; E758-E761 WeakPolarHBondContact O-CB 3.49Å; E758-E761 PolarHBondContact O-N 3.22Å; E758-I762 WeakPolarHBondContact O-CG1 3.49Å; E758-I762 PolarHBondContact O-N 3.39Å
759M91.7Very high85.8Confident0 Ų035.1 Ų35.10%017%0.17CC..Hα-helixtrans-64.7-40174.3-171.262.7-160.900111.7F640 L669 I728 V731 F748 T755 S756 E761 I762 M763F640-M759 HydrophobicContact CE1-CB 3.97Å; F640-M759 HydrophobicContact CE1-CG 4.01Å; F640-M759 HydrophobicContact CZ-CB 4.23Å; F640-M759 HydrophobicContact CZ-CG 3.91Å; L669-M759 HydrophobicContact CD1-CB 4.43Å; I728-M759 HydrophobicContact CD1-CB 3.81Å; I728-M759 HydrophobicContact CD1-CG 4.49Å; I728-M759 HydrophobicContact CD1-SD 4.01Å; V731-M759 HydrophobicContact CG1-CE 4.22Å; V731-M759 HydrophobicContact CG1-SD 4.06Å; V731-M759 HydrophobicContact CG2-SD 4.49Å; F748-M759 HydrophobicContact CE1-CE 3.79Å; F748-M759 HydrophobicContact CE1-CG 4.38Å; F748-M759 HydrophobicContact CE1-SD 4.14Å; F748-M759 HydrophobicContact CE2-CE 4.4Å; F748-M759 HydrophobicContact CZ-CE 3.52Å; F748-M759 HydrophobicContact CZ-CG 4.43Å; F748-M759 HydrophobicContact CZ-SD 4.37Å; T755-M759 WeakPolarHBondContact O-CB 3.22Å; T755-M759 PolarHBondContact O-N 3.33Å; S756-M759 PolarHBondContact O-N 2.9Å; M759-E761 VanDerWaalsContact C-N 3.3Å; M759-E761 PolarHBondContact O-N 3.41Å; M759-I762 PolarHBondContact O-N 2.93Å; M759-I762 HydrophobicContact SD-CD1 4.42Å; M759-M763 HydrophobicContact CE-CE 3.59Å; M759-M763 HydrophobicContact CE-CG 4.08Å; M759-M763 HydrophobicContact CG-CE 3.97Å; M759-M763 VanDerWaalsContact O-CG 3.28Å; M759-M763 WeakPolarHBondContact O-CG 3.44Å; M759-M763 PolarHBondContact O-N 3.14Å
760I87.9Confident85.7Confident0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-60-43.1174.5-69.7164.1000110.5S756 C757 E758 M763 Q764 V770 V772 I784 R787S756-I760 WeakPolarHBondContact O-CD1 3.2Å; S756-I760 WeakPolarHBondContact O-CG1 3.47Å; S756-I760 PolarHBondContact O-N 3.36Å; C757-I760 PolarHBondContact O-N 2.99Å; E758-I760 VanDerWaalsContact C-N 3.35Å; E758-I760 PolarHBondContact O-N 3.4Å; I760-M763 WeakPolarHBondContact O-CB 3.48Å; I760-M763 PolarHBondContact O-N 3.49Å; I760-Q764 HydrophobicContact CG2-CG 4.44Å; I760-Q764 VanDerWaalsContact O-CG 3.27Å; I760-Q764 WeakPolarHBondContact O-CG 3.42Å; I760-Q764 PolarHBondContact O-N 3.49Å; I760-V770 HydrophobicContact CG1-CG1 4.2Å; I760-V770 HydrophobicContact CG2-CB 4.14Å; I760-V770 HydrophobicContact CG2-CG1 4.16Å; I760-V770 HydrophobicContact CG2-CG2 4.31Å; I760-V772 HydrophobicContact CD1-CG2 3.63Å; I760-I784 HydrophobicContact CD1-CG2 3.41Å; I760-I784 VanDerWaalsContact CD1-CG2 3.41Å; I760-R787 HydrophobicContact CG2-CG 4.21Å
761E87.9Confident85.7Confident64 Ų6434.1 Ų34.130%0.29917%0.165SC..Hα-helixtrans-61.2-46.2175.3172.6169.4-152.300111.9C757 E758 M759 M763 Q764 E765 R787C757-E761 PolarHBondContact O-N 3.28Å; E758-E761 WeakPolarHBondContact O-CB 3.49Å; E758-E761 PolarHBondContact O-N 3.22Å; M759-E761 VanDerWaalsContact C-N 3.3Å; M759-E761 PolarHBondContact O-N 3.41Å; E761-M763 VanDerWaalsContact C-N 3.3Å; E761-M763 PolarHBondContact O-N 3.04Å; E761-Q764 WeakPolarHBondContact O-CB 3.41Å; E761-Q764 PolarHBondContact O-N 3.36Å; E761-Q764 VanDerWaalsContact O-N 3.11Å; E761-E765 WeakPolarHBondContact CG-OE1 3.37Å; E761-E765 WeakPolarHBondContact O-CG 3.48Å; E761-E765 PolarHBondContact O-N 3.26Å; E761-R787 IonicContact OE1-CZ 3.84Å; E761-R787 IonicContact OE1-NH2 2.71Å; E761-R787 PolarHBondContact OE1-NH2 3.41Å; E761-R787 IonicContact OE2-CZ 3.4Å; E761-R787 IonicContact OE2-NE 3.24Å; E761-R787 IonicContact OE2-NH2 2.76Å; E761-R787 PolarHBondContact OE2-NH2 2.93Å
762I89.6Confident85.6Confident0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-57.2-45.8174.7-66.5167.2000110.3I728 V731 R732 L735 E758 M759 Q764 E765 Y766I728-I762 HydrophobicContact CD1-CD1 3.82Å; I728-I762 HydrophobicContact CG1-CD1 4.43Å; V731-I762 HydrophobicContact CB-CD1 4.16Å; V731-I762 HydrophobicContact CG1-CD1 4.21Å; V731-I762 HydrophobicContact CG1-CG2 4.19Å; R732-I762 HydrophobicContact CG-CD1 3.76Å; R732-I762 HydrophobicContact CG-CG1 3.82Å; L735-I762 HydrophobicContact CD1-CG2 3.52Å; E758-I762 WeakPolarHBondContact O-CG1 3.49Å; E758-I762 PolarHBondContact O-N 3.39Å; M759-I762 PolarHBondContact O-N 2.93Å; M759-I762 HydrophobicContact SD-CD1 4.42Å; I762-Q764 VanDerWaalsContact C-N 3.3Å; I762-Q764 PolarHBondContact O-N 3.24Å; I762-E765 PolarHBondContact O-N 2.9Å; I762-Y766 HydrophobicContact CG2-CD2 4.25Å; I762-Y766 HydrophobicContact CG2-CE2 4.38Å; I762-Y766 VanDerWaalsContact O-CD2 3.32Å; I762-Y766 WeakPolarHBondContact O-CD2 3.4Å; I762-Y766 PolarHBondContact O-N 3.41Å
763M87.8Confident85.5Confident0 Ų030.7 Ų30.70%014%0.143CC..Hα-helixtrans-60-41.3177.3-67.4-173.718000112.1R319 F640 L743 F748 M759 I760 E761 Y766 G767 E768 V770R319-M763 WeakPolarHBondContact CD-SD 3.1Å; R319-M763 VanDerWaalsContact NH1-CG 3.28Å; R319-M763 PolarHBondContact NH1-SD 2.63Å; F640-M763 HydrophobicContact CE2-CE 4.45Å; F640-M763 HydrophobicContact CZ-CE 4.11Å; L743-M763 HydrophobicContact CD2-CG 4.13Å; F748-M763 HydrophobicContact CE2-CE 3.66Å; F748-M763 HydrophobicContact CZ-CE 3.98Å; M759-M763 HydrophobicContact CE-CE 3.59Å; M759-M763 HydrophobicContact CE-CG 4.08Å; M759-M763 HydrophobicContact CG-CE 3.97Å; M759-M763 VanDerWaalsContact O-CG 3.28Å; M759-M763 WeakPolarHBondContact O-CG 3.44Å; M759-M763 PolarHBondContact O-N 3.14Å; I760-M763 WeakPolarHBondContact O-CB 3.48Å; I760-M763 PolarHBondContact O-N 3.49Å; E761-M763 VanDerWaalsContact C-N 3.3Å; E761-M763 PolarHBondContact O-N 3.04Å; M763-Y766 PolarHBondContact O-N 2.7Å; M763-G767 PolarHBondContact O-N 2.67Å; M763-E768 HydrophobicContact CB-CB 4.28Å; M763-E768 VanDerWaalsContact O-CB 3.3Å; M763-E768 WeakPolarHBondContact O-CB 3.27Å; M763-E768 PolarHBondContact O-N 3.05Å; M763-V770 HydrophobicContact CB-CG2 3.68Å; M763-V770 HydrophobicContact SD-CG2 4.21Å
764Q83.2Confident85.6Confident39 Ų3929.8 Ų29.818%0.18214%0.136CC..Hα-helixtrans-65.7-41178.4-73.3171.3-16.400112.7I760 E761 I762 Y766 G767 V770 R787 N789I760-Q764 HydrophobicContact CG2-CG 4.44Å; I760-Q764 VanDerWaalsContact O-CG 3.27Å; I760-Q764 WeakPolarHBondContact O-CG 3.42Å; I760-Q764 PolarHBondContact O-N 3.49Å; E761-Q764 WeakPolarHBondContact O-CB 3.41Å; E761-Q764 PolarHBondContact O-N 3.36Å; E761-Q764 VanDerWaalsContact O-N 3.11Å; I762-Q764 VanDerWaalsContact C-N 3.3Å; I762-Q764 PolarHBondContact O-N 3.24Å; Q764-Y766 VanDerWaalsContact C-N 3.3Å; Q764-Y766 PolarHBondContact O-N 3.27Å; Q764-G767 PolarHBondContact O-N 2.96Å; Q764-V770 HydrophobicContact CG-CG2 4.25Å; Q764-R787 PolarHBondContact NE2-O 3.45Å; Q764-N789 WeakPolarHBondContact CG-OD1 3.23Å; Q764-N789 PolarHBondContact NE2-OD1 2.82Å; Q764-N789 VanDerWaalsContact NE2-OD1 3.12Å
765E84.1Confident85.5Confident102 Ų10220.1 Ų20.148%0.47710%0.1SC..Hα-helixtrans-62.1-38178-73.8177.4-148.900112.5R732 E761 I762 G767R732-E765 IonicContact CZ-OE1 2.68Å; R732-E765 VanDerWaalsContact CZ-OE1 3.3Å; R732-E765 IonicContact CZ-OE2 3.91Å; R732-E765 IonicContact NH1-OE1 2.74Å; R732-E765 PolarHBondContact NH1-OE1 2.8Å; R732-E765 IonicContact NH1-OE2 2.98Å; R732-E765 PolarHBondContact NH1-OE2 2.93Å; R732-E765 IonicContact NH2-OE1 3.9Å; R732-E765 PolarHBondContact NH2-OE1 3.1Å; R732-E765 IonicContact NH2-OE2 3.67Å; E761-E765 WeakPolarHBondContact CG-OE1 3.37Å; E761-E765 WeakPolarHBondContact O-CG 3.48Å; E761-E765 PolarHBondContact O-N 3.26Å; I762-E765 PolarHBondContact O-N 2.9Å; E765-G767 PolarHBondContact O-N 2.97Å
766Y84.3Confident85.2Confident73 Ų7319.2 Ų19.229%0.2869%0.094SC..THydrogen-bonded Turntrans-82.512.5176-76.4-97.8000113.5L735 D736 L743 I762 M763 Q764L735-Y766 HydrophobicContact CB-CE1 3.87Å; L735-Y766 HydrophobicContact CB-CE2 4.15Å; L735-Y766 VanDerWaalsContact CB-CZ 3.5Å; L735-Y766 WeakPolarHBondContact CB-OH 3.29Å; L735-Y766 HydrophobicContact CD1-CD2 3.96Å; L735-Y766 HydrophobicContact CD1-CE1 4.37Å; L735-Y766 HydrophobicContact CD1-CE2 3.65Å; L735-Y766 HydrophobicContact CD1-CG 4.45Å; D736-Y766 PolarHBondContact OD1-OH 2.77Å; L743-Y766 HydrophobicContact CD1-CD1 4.18Å; L743-Y766 HydrophobicContact CD1-CG 4.05Å; I762-Y766 HydrophobicContact CG2-CD2 4.25Å; I762-Y766 HydrophobicContact CG2-CE2 4.38Å; I762-Y766 VanDerWaalsContact O-CD2 3.32Å; I762-Y766 WeakPolarHBondContact O-CD2 3.4Å; I762-Y766 PolarHBondContact O-N 3.41Å; M763-Y766 PolarHBondContact O-N 2.7Å; Q764-Y766 VanDerWaalsContact C-N 3.3Å; Q764-Y766 PolarHBondContact O-N 3.27Å
767G76.4Confident85Confident7 Ų719 Ų197%0.0729%0.093CC..THydrogen-bonded Turntrans81.617.4170.300000115.1M763 Q764 E765 K920 N921M763-G767 PolarHBondContact O-N 2.67Å; Q764-G767 PolarHBondContact O-N 2.96Å; E765-G767 PolarHBondContact O-N 2.97Å; G767-K920 CarbonylContact O-C 3.59Å; G767-K920 WeakPolarHBondContact O-CA 2.91Å; G767-K920 WeakPolarHBondContact O-CB 3.46Å; G767-N921 WeakPolarHBondContact CA-O 3.46Å; G767-N921 PolarHBondContact O-N 2.87Å
768E79.7Confident84.8Confident11 Ų1118.2 Ų18.25%0.0519%0.087CC..  trans-80.8150166.4-54-62.6164.800110.1K318 R319 M763 K920K318-E768 WeakPolarHBondContact CD-OE2 3.41Å; R319-E768 IonicContact NH2-OE1 3.18Å; M763-E768 HydrophobicContact CB-CB 4.28Å; M763-E768 VanDerWaalsContact O-CB 3.3Å; M763-E768 WeakPolarHBondContact O-CB 3.27Å; M763-E768 PolarHBondContact O-N 3.05Å; E768-K920 VanDerWaalsContact OE1-CE 3.28Å; E768-K920 WeakPolarHBondContact OE1-CE 3.27Å; E768-K920 IonicContact OE1-NZ 3.66Å; E768-K920 PolarHBondContact OE1-NZ 3.31Å
769V77.1Confident84.5Confident5 Ų515.6 Ų15.63%0.038%0.075CC..  trans-112.799.6177.4176.50000108.3P232 T317 K318 N789 N921P232-V769 HydrophobicContact CG-CG1 3.82Å; P232-V769 HydrophobicContact CG-CG2 3.91Å; T317-V769 CarbonylContact C-O 3.51Å; T317-V769 VanDerWaalsContact C-O 3.32Å; T317-V769 WeakPolarHBondContact O-CB 3.48Å; K318-V769 CarbonylContact C-O 3.57Å; K318-V769 CarbonylContact O-C 3.51Å; V769-N789 HydrophobicContact CG1-CB 3.83Å; V769-N921 HydrophobicContact CG2-CB 3.7Å
770V82.7Confident84Confident1 Ų118.4 Ų18.41%0.0069%0.088CC..  trans-85.5128.4-166.8-173.40000111.3V321 I760 M763 Q764 V772 N789 V790V321-V770 HydrophobicContact CG2-CG1 4.16Å; I760-V770 HydrophobicContact CG1-CG1 4.2Å; I760-V770 HydrophobicContact CG2-CB 4.14Å; I760-V770 HydrophobicContact CG2-CG1 4.16Å; I760-V770 HydrophobicContact CG2-CG2 4.31Å; M763-V770 HydrophobicContact CB-CG2 3.68Å; M763-V770 HydrophobicContact SD-CG2 4.21Å; Q764-V770 HydrophobicContact CG-CG2 4.25Å; V770-V772 HydrophobicContact CG1-CG2 4.27Å; V770-N789 PolarHBondContact N-OD1 3.41Å; V770-N789 WeakPolarHBondContact O-CB 3.22Å; V770-N789 PolarHBondContact O-N 2.92Å; V770-V790 PolarHBondContact O-N 3.49Å
771C83.1Confident83.9Confident0 Ų019.1 Ų19.10%09%0.092CC..EExtended strand (participates in β ladder)trans-102.4132165.5178.10000110.2P316 R319 N320 V321 V790P316-C771 HydrophobicContact CB-CB 3.31Å; P316-C771 WeakPolarHBondContact CB-SG 3.19Å; R319-C771 CarbonylContact O-C 3.51Å; R319-C771 PolarHBondContact O-N 2.97Å; N320-C771 CarbonylContact C-O 3.58Å; N320-C771 WeakPolarHBondContact CA-O 3.26Å; V321-C771 PolarHBondContact N-O 2.71Å; C771-V790 CarbonylContact C-O 3.59Å; C771-V790 VanDerWaalsContact CA-O 3.24Å; C771-V790 WeakPolarHBondContact CA-O 3.39Å; C771-V790 HydrophobicContact CB-CB 4.35Å
772V84.2Confident83.7Confident4 Ų417 Ų172%0.0248%0.083CC..EExtended strand (participates in β ladder)trans-108.8131.4174.6175.40000108.7V321 I760 V770 I784 F785 A788 V790 A791 I792V321-V772 HydrophobicContact CB-CB 4.47Å; V321-V772 HydrophobicContact CB-CG1 4.36Å; V321-V772 HydrophobicContact CB-CG2 4.07Å; V321-V772 HydrophobicContact CG2-CG2 4.29Å; I760-V772 HydrophobicContact CD1-CG2 3.63Å; V770-V772 HydrophobicContact CG1-CG2 4.27Å; V772-I784 HydrophobicContact CG1-CG2 3.82Å; V772-I784 HydrophobicContact CG2-CG2 4.06Å; V772-F785 HydrophobicContact CB-CD1 4.49Å; V772-F785 HydrophobicContact CG1-CD1 3.88Å; V772-F785 HydrophobicContact CG1-CE1 3.98Å; V772-A788 HydrophobicContact CB-CB 3.82Å; V772-A788 HydrophobicContact CG2-CB 3.44Å; V772-A788 VanDerWaalsContact CG2-CB 3.44Å; V772-V790 PolarHBondContact N-O 2.9Å; V772-A791 CarbonylContact O-C 3.35Å; V772-A791 WeakPolarHBondContact O-CA 3.2Å; V772-I792 PolarHBondContact O-N 3.2Å
773V85.2Confident83.3Confident4 Ų418.3 Ų18.32%0.0249%0.094CC..EExtended strand (participates in β ladder)trans-121.3102.5174.8-1710000108.8V321 F322 I792 V794V321-V773 CarbonylContact O-C 3.46Å; V321-V773 WeakPolarHBondContact O-CA 3.08Å; V321-V773 PolarHBondContact O-N 2.88Å; F322-V773 VanDerWaalsContact CA-O 3.28Å; F322-V773 WeakPolarHBondContact CA-O 3.08Å; F322-V773 HydrophobicContact CD1-CB 3.62Å; F322-V773 HydrophobicContact CD1-CG1 3.69Å; F322-V773 HydrophobicContact CD1-CG2 4.49Å; F322-V773 HydrophobicContact CD2-CB 4.33Å; F322-V773 HydrophobicContact CE1-CB 3.42Å; F322-V773 VanDerWaalsContact CE1-CB 3.42Å; F322-V773 HydrophobicContact CE1-CG1 3.26Å; F322-V773 HydrophobicContact CE1-CG2 3.93Å; F322-V773 HydrophobicContact CE2-CB 4.16Å; F322-V773 HydrophobicContact CE2-CG2 4.06Å; F322-V773 HydrophobicContact CG-CB 4.09Å; F322-V773 HydrophobicContact CZ-CB 3.7Å; F322-V773 HydrophobicContact CZ-CG1 3.91Å; F322-V773 HydrophobicContact CZ-CG2 3.68Å; V773-I792 VanDerWaalsContact CA-O 3.3Å; V773-I792 WeakPolarHBondContact CA-O 3.42Å; V773-I792 HydrophobicContact CG1-CB 4.28Å; V773-I792 HydrophobicContact CG1-CG2 4.36Å; V773-I792 HydrophobicContact CG2-CB 4.15Å; V773-I792 HydrophobicContact CG2-CD1 4.24Å; V773-I792 HydrophobicContact CG2-CG1 4.49Å; V773-V794 HydrophobicContact CG1-CG2 3.58Å
774G85.2Confident83.2Confident4 Ų418.9 Ų18.94%0.04110%0.097CC..EExtended strand (participates in β ladder)trans-125.8166.3-169.400000113S776 I792 V794G774-S776 PolarHBondContact O-N 2.98Å; G774-I792 PolarHBondContact N-O 3.07Å; G774-V794 PolarHBondContact O-N 3.46Å
775S85.6Confident83.2Confident0 Ų017.2 Ų17.20%09%0.089CC..EExtended strand (participates in β ladder)trans-66.1130.5167.7178.80000110.2S138 L777 N781 P796S138-S775 WeakPolarHBondContact O-CB 3.09Å; S138-S775 PolarHBondContact O-OG 3.27Å; S775-L777 VanDerWaalsContact C-N 3.28Å; S775-L777 PolarHBondContact OG-N 2.81Å; S775-L777 VanDerWaalsContact OG-N 3.1Å; S775-N781 PolarHBondContact N-ND2 3.26Å; S775-N781 PolarHBondContact O-ND2 3.22Å; S775-P796 WeakPolarHBondContact OG-CD 3.05Å; S775-P796 WeakPolarHBondContact OG-CG 3.39Å
776S83.8Confident83Confident0 Ų013.1 Ų13.10%07%0.072CC..THydrogen-bonded Turntrans-74-13.8170.655.10000114G774 V794 E795 H821 N824G774-S776 PolarHBondContact O-N 2.98Å; S776-V794 WeakPolarHBondContact CB-O 3.22Å; S776-V794 PolarHBondContact N-O 2.59Å; S776-V794 PolarHBondContact OG-O 3.11Å; S776-E795 WeakPolarHBondContact OG-CA 3.37Å; S776-H821 WeakPolarHBondContact CB-ND1 3.39Å; S776-H821 PolarHBondContact OG-ND1 3.04Å; S776-N824 WeakPolarHBondContact O-CB 3.4Å; S776-N824 PolarHBondContact O-ND2 2.9Å
777L86.6Confident83Confident4 Ų412.9 Ų12.92%0.0217%0.07CC..THydrogen-bonded Turntrans-99.79.7-175.9-60.5178000113.4I139 E140 S775 P796 L817 A820 H821I139-L777 HydrophobicContact CB-CB 4.37Å; I139-L777 HydrophobicContact CD1-CD1 4.2Å; I139-L777 HydrophobicContact CG1-CB 4.3Å; I139-L777 HydrophobicContact CG1-CD1 4.11Å; I139-L777 HydrophobicContact CG2-CB 3.98Å; I139-L777 HydrophobicContact CG2-CD1 4.09Å; E140-L777 PolarHBondContact N-O 3.36Å; E140-L777 VanDerWaalsContact N-O 3.11Å; S775-L777 VanDerWaalsContact C-N 3.28Å; S775-L777 PolarHBondContact OG-N 2.81Å; S775-L777 VanDerWaalsContact OG-N 3.1Å; L777-P796 HydrophobicContact CB-CG 4.37Å; L777-P796 HydrophobicContact CD1-CG 3.81Å; L777-P796 HydrophobicContact CG-CG 4.25Å; L777-L817 HydrophobicContact CD1-CD2 3.82Å; L777-L817 HydrophobicContact CD2-CB 4.35Å; L777-L817 HydrophobicContact CD2-CD2 4.22Å; L777-A820 HydrophobicContact CD2-CB 3.85Å; L777-H821 HydrophobicContact CD2-CB 4.4Å
778T85.2Confident83.2Confident4 Ų412.8 Ų12.83%0.0257%0.069CC..  trans-115.6109.4173.5-520000108.8E137 S138 E780 N781E137-T778 PolarHBondContact O-OG1 3.03Å; S138-T778 VanDerWaalsContact C-OG1 3.25Å; S138-T778 PolarHBondContact O-OG1 3.2Å; T778-E780 HydrophobicContact CG2-CB 4.14Å; T778-E780 HydrophobicContact CG2-CG 4.42Å; T778-E780 PolarHBondContact O-N 3.26Å; T778-N781 WeakPolarHBondContact O-CB 3.37Å; T778-N781 PolarHBondContact O-N 3.4Å
779P83.2Confident83Confident6 Ų613.1 Ų13.14%0.0397%0.071CC..THydrogen-bonded Turntrans-64.9-22.7-175.324.9-33.4000113.4E140 V218 N781 T782E140-P779 WeakPolarHBondContact OE1-CG 2.96Å; V218-P779 HydrophobicContact CG1-CB 4.22Å; V218-P779 HydrophobicContact CG1-CG 3.99Å; P779-N781 PolarHBondContact O-N 3Å; P779-T782 WeakPolarHBondContact O-CB 3.34Å; P779-T782 PolarHBondContact O-N 2.68Å; P779-T782 PolarHBondContact O-OG1 3.01Å; P779-T782 VanDerWaalsContact O-OG1 3.11Å
780E82.3Confident82.9Confident58 Ų5813.2 Ų13.227%0.2717%0.071SC..THydrogen-bonded Turntrans-61.6-28.4173.7-57.9-177.1157.100113.1K642 A753 T778 T782K642-E780 IonicContact NZ-OE2 3.81Å; K642-E780 PolarHBondContact NZ-OE2 3.26Å; A753-E780 HydrophobicContact CB-CB 4.08Å; T778-E780 HydrophobicContact CG2-CB 4.14Å; T778-E780 HydrophobicContact CG2-CG 4.42Å; T778-E780 PolarHBondContact O-N 3.26Å; E780-T782 PolarHBondContact O-N 3.36Å
781N84.9Confident82.8Confident16 Ų1613.3 Ų13.39%0.0867%0.072CC..Hα-helixtrans-71.4-21.7-179.2-69.3-16.8000112.2S775 T778 P779 A783 I784 F785S775-N781 PolarHBondContact N-ND2 3.26Å; S775-N781 PolarHBondContact O-ND2 3.22Å; T778-N781 WeakPolarHBondContact O-CB 3.37Å; T778-N781 PolarHBondContact O-N 3.4Å; P779-N781 PolarHBondContact O-N 3Å; N781-A783 PolarHBondContact O-N 3.27Å; N781-I784 CarbonylContact O-C 3.56Å; N781-I784 WeakPolarHBondContact O-CA 3.26Å; N781-I784 WeakPolarHBondContact O-CB 3.47Å; N781-I784 PolarHBondContact O-N 3.33Å; N781-F785 HydrophobicContact CB-CD2 4.37Å; N781-F785 HydrophobicContact CB-CE1 4.42Å; N781-F785 HydrophobicContact CB-CE2 3.78Å; N781-F785 HydrophobicContact CB-CZ 3.81Å; N781-F785 WeakPolarHBondContact O-CD2 3.43Å; N781-F785 VanDerWaalsContact O-CG 3.28Å; N781-F785 WeakPolarHBondContact O-CG 3.18Å; N781-F785 PolarHBondContact O-N 3.33Å
782T83.2Confident82.7Confident19 Ų1913.7 Ų13.712%0.1177%0.074CC..Hα-helixtrans-56.1-40.7178.7-52.10000111.3P779 E780 I784 F785 C786 P827P779-T782 WeakPolarHBondContact O-CB 3.34Å; P779-T782 PolarHBondContact O-N 2.68Å; P779-T782 PolarHBondContact O-OG1 3.01Å; P779-T782 VanDerWaalsContact O-OG1 3.11Å; E780-T782 PolarHBondContact O-N 3.36Å; T782-I784 VanDerWaalsContact C-N 3.34Å; T782-I784 PolarHBondContact O-N 3.45Å; T782-F785 PolarHBondContact O-N 3.33Å; T782-C786 PolarHBondContact O-N 3.29Å; T782-C786 PolarHBondContact O-SG 3.29Å; T782-P827 HydrophobicContact CG2-CG 3.83Å
783A82.2Confident82.7Confident27 Ų2713.5 Ų13.522%0.2237%0.073CC..Hα-helixtrans-64.6-37.8175.400000112.7N781 R787N781-A783 PolarHBondContact O-N 3.27Å; A783-R787 PolarHBondContact O-N 2.83Å
784I85.2Confident82.6Confident13 Ų1313.5 Ų13.57%0.0677%0.073CC..Hα-helixtrans-68.6-42.1177.7-48.3178.4000110.1A753 C757 I760 V772 N781 T782 C786 R787 A788A753-I784 HydrophobicContact CB-CD1 4.25Å; A753-I784 HydrophobicContact CB-CG1 4.31Å; C757-I784 VanDerWaalsContact SG-CA 3.58Å; I760-I784 HydrophobicContact CD1-CG2 3.41Å; I760-I784 VanDerWaalsContact CD1-CG2 3.41Å; V772-I784 HydrophobicContact CG1-CG2 3.82Å; V772-I784 HydrophobicContact CG2-CG2 4.06Å; N781-I784 CarbonylContact O-C 3.56Å; N781-I784 WeakPolarHBondContact O-CA 3.26Å; N781-I784 WeakPolarHBondContact O-CB 3.47Å; N781-I784 PolarHBondContact O-N 3.33Å; T782-I784 VanDerWaalsContact C-N 3.34Å; T782-I784 PolarHBondContact O-N 3.45Å; I784-C786 PolarHBondContact O-N 3.13Å; I784-R787 PolarHBondContact O-N 3.36Å; I784-R787 VanDerWaalsContact O-N 3.14Å; I784-A788 PolarHBondContact O-N 2.6Å; I784-A788 VanDerWaalsContact O-N 3.13Å
785F83.9Confident82.5Confident4 Ų414.9 Ų14.92%0.0188%0.079CC..Hα-helixtrans-59.3-45.5175.5-63.3-34.3000111.9V772 N781 T782 R787 A788 A791 P827 C828V772-F785 HydrophobicContact CB-CD1 4.49Å; V772-F785 HydrophobicContact CG1-CD1 3.88Å; V772-F785 HydrophobicContact CG1-CE1 3.98Å; N781-F785 HydrophobicContact CB-CD2 4.37Å; N781-F785 HydrophobicContact CB-CE1 4.42Å; N781-F785 HydrophobicContact CB-CE2 3.78Å; N781-F785 HydrophobicContact CB-CZ 3.81Å; N781-F785 WeakPolarHBondContact O-CD2 3.43Å; N781-F785 VanDerWaalsContact O-CG 3.28Å; N781-F785 WeakPolarHBondContact O-CG 3.18Å; N781-F785 PolarHBondContact O-N 3.33Å; T782-F785 PolarHBondContact O-N 3.33Å; F785-R787 PolarHBondContact O-N 3.21Å; F785-A788 PolarHBondContact O-N 3.1Å; F785-A791 HydrophobicContact CB-CB 3.6Å; F785-A791 HydrophobicContact CD1-CB 3.8Å; F785-A791 HydrophobicContact CG-CB 4.02Å; F785-A791 WeakPolarHBondContact O-CB 3.47Å; F785-P827 HydrophobicContact CB-CB 4.37Å; F785-P827 HydrophobicContact CB-CG 3.86Å; F785-P827 HydrophobicContact CD2-CG 4.46Å; F785-C828 WeakPolarHBondContact CD2-SG 3.37Å; F785-C828 WeakPolarHBondContact CG-SG 3.44Å
786C79.9Confident82.2Confident16 Ų1615.1 Ų15.111%0.1088%0.08CC..Hα-helixtrans-64.2-26.6177-68.30000113.8V224 T782 I784 P827V224-C786 HydrophobicContact CB-CB 3.55Å; V224-C786 HydrophobicContact CG1-CB 3.25Å; V224-C786 VanDerWaalsContact O-CB 3.28Å; V224-C786 WeakPolarHBondContact O-CB 3.47Å; V224-C786 PolarHBondContact O-SG 3.13Å; T782-C786 PolarHBondContact O-N 3.29Å; T782-C786 PolarHBondContact O-SG 3.29Å; I784-C786 PolarHBondContact O-N 3.13Å; C786-P827 WeakPolarHBondContact SG-CB 3.47Å
787R83.8Confident81.8Confident68 Ų6817.7 Ų17.726%0.2579%0.093SC..Hα-helixtrans-84-28.3-179.1-167.150.9164.5166.2-11.8113.1C757 I760 E761 Q764 A783 I784 F785C757-R787 HydrophobicContact CB-CB 4.48Å; C757-R787 HydrophobicContact CB-CG 4.28Å; I760-R787 HydrophobicContact CG2-CG 4.21Å; E761-R787 IonicContact OE1-CZ 3.84Å; E761-R787 IonicContact OE1-NH2 2.71Å; E761-R787 PolarHBondContact OE1-NH2 3.41Å; E761-R787 IonicContact OE2-CZ 3.4Å; E761-R787 IonicContact OE2-NE 3.24Å; E761-R787 IonicContact OE2-NH2 2.76Å; E761-R787 PolarHBondContact OE2-NH2 2.93Å; Q764-R787 PolarHBondContact NE2-O 3.45Å; A783-R787 PolarHBondContact O-N 2.83Å; I784-R787 PolarHBondContact O-N 3.36Å; I784-R787 VanDerWaalsContact O-N 3.14Å; F785-R787 PolarHBondContact O-N 3.21Å
788A79.3Confident81.2Confident5 Ų519 Ų194%0.04110%0.099CC..SBendtrans-65.2156.4-178.600000112.6V772 I784 F785 V790 A791V772-A788 HydrophobicContact CB-CB 3.82Å; V772-A788 HydrophobicContact CG2-CB 3.44Å; V772-A788 VanDerWaalsContact CG2-CB 3.44Å; I784-A788 PolarHBondContact O-N 2.6Å; I784-A788 VanDerWaalsContact O-N 3.13Å; F785-A788 PolarHBondContact O-N 3.1Å; A788-V790 VanDerWaalsContact C-N 3.3Å; A788-V790 WeakPolarHBondContact CB-O 3.41Å; A788-A791 HydrophobicContact CB-CB 4.39Å
789N75.5Confident80.5Confident17 Ų1718.9 Ų18.99%0.09110%0.099CC..SBendtrans-70.6-35.2170.5-60.8107.3000111.3T229 Q764 V769 V770T229-N789 WeakPolarHBondContact OG1-CA 3.3Å; T229-N789 PolarHBondContact OG1-O 2.9Å; Q764-N789 WeakPolarHBondContact CG-OD1 3.23Å; Q764-N789 PolarHBondContact NE2-OD1 2.82Å; Q764-N789 VanDerWaalsContact NE2-OD1 3.12Å; V769-N789 HydrophobicContact CG1-CB 3.83Å; V770-N789 PolarHBondContact N-OD1 3.41Å; V770-N789 WeakPolarHBondContact O-CB 3.22Å; V770-N789 PolarHBondContact O-N 2.92Å
790V76.3Confident79.4Confident7 Ų719.2 Ų19.24%0.04210%0.101CC..EExtended strand (participates in β ladder)trans-138.2130.5175.1-177.50000108.3K314 K315 V770 C771 V772 A788 I792K314-V790 HydrophobicContact CB-CB 4.28Å; K314-V790 HydrophobicContact CB-CG1 4.05Å; K314-V790 HydrophobicContact CB-CG2 3.38Å; K314-V790 HydrophobicContact CD-CG2 4.28Å; K314-V790 HydrophobicContact CG-CG2 4.5Å; K314-V790 WeakPolarHBondContact O-CG1 3.33Å; K315-V790 WeakPolarHBondContact O-CG2 3.38Å; V770-V790 PolarHBondContact O-N 3.49Å; C771-V790 CarbonylContact C-O 3.59Å; C771-V790 VanDerWaalsContact CA-O 3.24Å; C771-V790 WeakPolarHBondContact CA-O 3.39Å; C771-V790 HydrophobicContact CB-CB 4.35Å; V772-V790 PolarHBondContact N-O 2.9Å; A788-V790 VanDerWaalsContact C-N 3.3Å; A788-V790 WeakPolarHBondContact CB-O 3.41Å; V790-I792 HydrophobicContact CG1-CG1 4.44Å
791A79.3Confident78.2Confident3 Ų317.5 Ų17.53%0.02510%0.099CC..EExtended strand (participates in β ladder)trans-120.6133.9175.700000110.3V772 F785 A788 C828 S829 L830V772-A791 CarbonylContact O-C 3.35Å; V772-A791 WeakPolarHBondContact O-CA 3.2Å; F785-A791 HydrophobicContact CB-CB 3.6Å; F785-A791 HydrophobicContact CD1-CB 3.8Å; F785-A791 HydrophobicContact CG-CB 4.02Å; F785-A791 WeakPolarHBondContact O-CB 3.47Å; A788-A791 HydrophobicContact CB-CB 4.39Å; A791-C828 HydrophobicContact CB-CB 4.38Å; A791-C828 WeakPolarHBondContact O-CB 3.31Å; A791-S829 PolarHBondContact O-N 2.87Å; A791-L830 PolarHBondContact O-N 3.16Å
792I81.9Confident77.2Confident8 Ų817.8 Ų17.84%0.04110%0.103CC..EExtended strand (participates in β ladder)trans-121.4117.2177.3-52.8-178.6000107.2V772 V773 G774 V790 V794 L830 V832 L840V772-I792 PolarHBondContact O-N 3.2Å; V773-I792 VanDerWaalsContact CA-O 3.3Å; V773-I792 WeakPolarHBondContact CA-O 3.42Å; V773-I792 HydrophobicContact CG1-CB 4.28Å; V773-I792 HydrophobicContact CG1-CG2 4.36Å; V773-I792 HydrophobicContact CG2-CB 4.15Å; V773-I792 HydrophobicContact CG2-CD1 4.24Å; V773-I792 HydrophobicContact CG2-CG1 4.49Å; G774-I792 PolarHBondContact N-O 3.07Å; V790-I792 HydrophobicContact CG1-CG1 4.44Å; I792-V794 HydrophobicContact CG2-CG2 4.48Å; I792-L830 WeakPolarHBondContact CA-O 3.2Å; I792-L830 HydrophobicContact CD1-CD2 4.47Å; I792-L830 HydrophobicContact CG1-CB 4.34Å; I792-L830 HydrophobicContact CG2-CB 4.3Å; I792-L830 HydrophobicContact CG2-CD2 4.2Å; I792-L830 HydrophobicContact CG2-CG 4.46Å; I792-V832 HydrophobicContact CG2-CG2 3.94Å; I792-L840 HydrophobicContact CD1-CD1 3.4Å; I792-L840 VanDerWaalsContact CD1-CD1 3.4Å; I792-L840 HydrophobicContact CD1-CD2 4.38Å
793S83.8Confident75.8Confident0 Ų019.3 Ų19.30%011%0.113CC..EExtended strand (participates in β ladder)trans-89.5131.9173.235.20000109.9S825 C828 L830 S831 V832S793-S825 WeakPolarHBondContact OG-CB 3.04Å; S793-C828 VanDerWaalsContact CB-SG 3.56Å; S793-C828 WeakPolarHBondContact OG-CB 3.39Å; S793-C828 PolarHBondContact OG-SG 3.15Å; S793-L830 PolarHBondContact N-O 3.18Å; S793-L830 PolarHBondContact OG-O 3.02Å; S793-S831 WeakPolarHBondContact O-CA 3.3Å; S793-S831 WeakPolarHBondContact OG-CA 3.5Å; S793-S831 WeakPolarHBondContact OG-CB 3.4Å; S793-S831 PolarHBondContact OG-OG 3.35Å; S793-V832 PolarHBondContact O-N 2.91Å
794V82.8Confident74.2Confident5 Ų524.2 Ų24.23%0.0313%0.132CC..EExtended strand (participates in β ladder)trans-115133.4174.7-178.80000109I327 V773 G774 S776 I792 P796 V832 L834I327-V794 HydrophobicContact CD1-CB 4.1Å; I327-V794 HydrophobicContact CD1-CG1 4.43Å; I327-V794 HydrophobicContact CG1-CB 4.36Å; I327-V794 HydrophobicContact CG1-CG1 4.14Å; I327-V794 HydrophobicContact CG2-CG1 4.45Å; V773-V794 HydrophobicContact CG1-CG2 3.58Å; G774-V794 PolarHBondContact O-N 3.46Å; S776-V794 WeakPolarHBondContact CB-O 3.22Å; S776-V794 PolarHBondContact N-O 2.59Å; S776-V794 PolarHBondContact OG-O 3.11Å; I792-V794 HydrophobicContact CG2-CG2 4.48Å; V794-P796 VanDerWaalsContact O-CD 3.29Å; V794-P796 WeakPolarHBondContact O-CD 3.32Å; V794-V832 WeakPolarHBondContact CA-O 3.4Å; V794-L834 HydrophobicContact CG1-CD1 3.67Å; V794-L834 HydrophobicContact CG1-CG 4.17Å
795E83.1Confident72.5Confident32 Ų3225.4 Ų25.415%0.1514%0.137CC..EExtended strand (participates in β ladder)trans-76.5108.2167.5-169.3179-179.700108.9S776 V832 L834S776-E795 WeakPolarHBondContact OG-CA 3.37Å; E795-V832 PolarHBondContact N-O 3.4Å; E795-V832 VanDerWaalsContact N-O 3.16Å; E795-L834 VanDerWaalsContact O-CD1 3.24Å; E795-L834 WeakPolarHBondContact O-CD1 3.4Å
796P79.9Confident70.7Confident6 Ų633.5 Ų33.54%0.03918%0.175CC..PPolyproline II helixtrans-71.1158.7-176.634.5-39.4000111.2I139 I327 S775 L777 V794 I798I139-P796 HydrophobicContact CD1-CG 4.22Å; I139-P796 HydrophobicContact CG1-CG 3.86Å; I327-P796 HydrophobicContact CG1-CB 4.04Å; S775-P796 WeakPolarHBondContact OG-CD 3.05Å; S775-P796 WeakPolarHBondContact OG-CG 3.39Å; L777-P796 HydrophobicContact CB-CG 4.37Å; L777-P796 HydrophobicContact CD1-CG 3.81Å; L777-P796 HydrophobicContact CG-CG 4.25Å; V794-P796 VanDerWaalsContact O-CD 3.29Å; V794-P796 WeakPolarHBondContact O-CD 3.32Å; P796-I798 PolarHBondContact O-N 3.5Å
797M74.7Confident69.1Low53 Ų5340.9 Ų40.926%0.26121%0.205SC..PPolyproline II helixtrans-68.6134.1169.7-61.3-174.582.100110.7G326 W330 P331 P380 K620 L834G326-M797 PolarHBondContact O-N 3.48Å; G326-M797 VanDerWaalsContact O-N 3.14Å; W330-M797 HydrophobicContact CE3-CE 4.3Å; W330-M797 HydrophobicContact CE3-SD 3.64Å; W330-M797 HydrophobicContact CZ3-CE 3.87Å; W330-M797 HydrophobicContact CZ3-SD 3.46Å; W330-M797 WeakPolarHBondContact CZ3-SD 3.38Å; P331-M797 HydrophobicContact CB-CB 4.36Å; P331-M797 WeakPolarHBondContact CB-O 3.37Å; P331-M797 HydrophobicContact CG-CB 3.72Å; P380-M797 HydrophobicContact CG-CE 4.4Å; K620-M797 PolarHBondContact NZ-SD 2.83Å; M797-L834 HydrophobicContact CG-CD1 4.31Å; M797-L834 HydrophobicContact CG-CD2 4Å; M797-L834 HydrophobicContact SD-CD2 4.23Å
798I74.9Confident67.4Low31 Ų3140.3 Ų40.316%0.15921%0.207CC..PPolyproline II helixtrans-70.7139.3175.7-52.6160.6000108.6I139 P796 S800 M805 L817I139-I798 HydrophobicContact CD1-CG1 4.42Å; P796-I798 PolarHBondContact O-N 3.5Å; I798-S800 PolarHBondContact O-N 2.79Å; I798-M805 HydrophobicContact CB-CE 3.79Å; I798-M805 HydrophobicContact CB-SD 4.36Å; I798-M805 HydrophobicContact CG2-CE 4.08Å; I798-M805 HydrophobicContact CG2-SD 3.98Å; I798-M805 WeakPolarHBondContact O-CE 3.47Å; I798-L817 HydrophobicContact CD1-CD1 3.2Å; I798-L817 HydrophobicContact CG1-CD1 3.76Å
799P70.1Confident65.7Low3 Ų349.8 Ų49.82%0.01925%0.247CC..PPolyproline II helixtrans-63.6121.3169.1-19.131.6000110.6P134 P331 M805P134-P799 HydrophobicContact CB-CB 3.92Å; P134-P799 HydrophobicContact CG-CB 4.03Å; P331-P799 HydrophobicContact CB-CB 4.44Å; P331-P799 HydrophobicContact CB-CG 4.25Å; P799-M805 VanDerWaalsContact O-SD 3.34Å
800S60.3Low64Low12 Ų1252.2 Ų52.28%0.08428%0.276CS..  trans-111108.1-179.4-20000108.3D332 F381 I798 C802 M805D332-S800 PolarHBondContact OD2-N 3.49Å; D332-S800 VanDerWaalsContact OD2-O 3.12Å; F381-S800 WeakPolarHBondContact CE2-OG 3.49Å; F381-S800 WeakPolarHBondContact CZ-OG 3.43Å; I798-S800 PolarHBondContact O-N 2.79Å; S800-C802 PolarHBondContact O-N 3.42Å; S800-M805 WeakPolarHBondContact CA-SD 3.46Å; S800-M805 VanDerWaalsContact CB-CB 3.46Å; S800-M805 WeakPolarHBondContact CB-SD 3.34Å; S800-M805 WeakPolarHBondContact OG-CE 3.33Å
801G57.1Low62.7Low22 Ų2261 Ų6123%0.22731%0.309CS..  trans-48.6145155.300000109.8C803G801-C803 PolarHBondContact O-N 2.69Å
802C63.7Low61Low23 Ų2367 Ų6716%0.15535%0.35CS..THydrogen-bonded Turntrans-58-14.8-162.6-172.80000116.5C440 C442 P443 S800C440-C802 HydrophobicContact CB-CB 3.95Å; C442-C802 HydrophobicContact CB-CB 3.32Å; C442-C802 WeakPolarHBondContact CB-SG 3.38Å; P443-C802 HydrophobicContact CG-CB 4.42Å; S800-C802 PolarHBondContact O-N 3.42Å
803C53.5Low59.6Low50 Ų5068.9 Ų68.934%0.33837%0.372SS..THydrogen-bonded Turntrans-126.6-25.7-175.6-62.40000116.1R452 G801 M805R452-C803 PolarHBondContact NH1-SG 2.96Å; G801-C803 PolarHBondContact O-N 2.69Å; C803-M805 PolarHBondContact O-N 3.31Å
804E50Low58.6Low131 Ų13173.4 Ų73.461%0.61239%0.391SS*.THydrogen-bonded Turntrans-81.5-19.6-169.8-113.6178.3163.900114.5
805M48Very low58.4Low37 Ų3774.1 Ų74.118%0.18240%0.397CS..G310 helixtrans-96.8-5.5-165.8-122.2167.475.700116P130 I798 P799 S800 C803 K807 I808P130-M805 HydrophobicContact CG-CG 4.37Å; P130-M805 HydrophobicContact CG-SD 4.39Å; I798-M805 HydrophobicContact CB-CE 3.79Å; I798-M805 HydrophobicContact CB-SD 4.36Å; I798-M805 HydrophobicContact CG2-CE 4.08Å; I798-M805 HydrophobicContact CG2-SD 3.98Å; I798-M805 WeakPolarHBondContact O-CE 3.47Å; P799-M805 VanDerWaalsContact O-SD 3.34Å; S800-M805 WeakPolarHBondContact CA-SD 3.46Å; S800-M805 VanDerWaalsContact CB-CB 3.46Å; S800-M805 WeakPolarHBondContact CB-SD 3.34Å; S800-M805 WeakPolarHBondContact OG-CE 3.33Å; C803-M805 PolarHBondContact O-N 3.31Å; M805-K807 PolarHBondContact O-N 2.92Å; M805-I808 HydrophobicContact CG-CD1 3.53Å; M805-I808 HydrophobicContact CG-CG1 4.08Å; M805-I808 PolarHBondContact O-N 3.16Å; M805-I808 HydrophobicContact SD-CD1 4.41Å
806Q47.6Very low58.5Low175 Ų17572.6 Ų72.682%0.81839%0.39SS*.G310 helixtrans-64.4-19.7164.9-73-172.20.600112
807K45.5Very low58.7Low170 Ų17072.7 Ų72.774%0.73939%0.39SS*.G310 helixtrans-77.7-18.4177.9-69.4-178.5178.7175.60114.3M805 G810M805-K807 PolarHBondContact O-N 2.92Å; K807-G810 PolarHBondContact O-N 3.42Å
808I48.5Very low59.1Low56 Ų5672.7 Ų72.729%0.28739%0.389SS..G310 helixtrans-75-28.8-179.1-57.8-174.4000111.6P130 M805 G810 R811P130-I808 HydrophobicContact CG-CD1 4.07Å; M805-I808 HydrophobicContact CG-CD1 3.53Å; M805-I808 HydrophobicContact CG-CG1 4.08Å; M805-I808 PolarHBondContact O-N 3.16Å; M805-I808 HydrophobicContact SD-CD1 4.41Å; I808-G810 PolarHBondContact O-N 3.47Å; I808-R811 PolarHBondContact O-N 3.39Å
809K43.5Very low59.6Low205 Ų20571.4 Ų71.489%0.89138%0.383SS*.G310 helixtrans-62-13176.4-77-171173.4-172.70114.1
810G40.6Very low60.4Low68 Ų6871.3 Ų71.370%0.70138%0.382SS*.G310 helixtrans-99.3-5.2179.700000116K807 I808 S812K807-G810 PolarHBondContact O-N 3.42Å; I808-G810 PolarHBondContact O-N 3.47Å; G810-S812 PolarHBondContact O-N 3.42Å
811R48Very low61.6Low191 Ų19171.1 Ų71.172%0.72138%0.38SS*.  trans-92.1101.3-179.9-77.1-173.8176.1178-1111V127 I808 G813V127-R811 HydrophobicContact CG2-CB 4.36Å; I808-R811 PolarHBondContact O-N 3.39Å; R811-G813 PolarHBondContact O-N 3Å
812S43.1Very low62.8Low129 Ų12974.7 Ų74.790%0.90239%0.389SS*.  trans-70104.9169.561.20000110.5G810G810-S812 PolarHBondContact O-N 3.42Å
813G53.7Low63.9Low48 Ų4874.1 Ų74.150%0.49538%0.384SS..SBendtrans178.8149176.400000110.9R811 S815R811-G813 PolarHBondContact O-N 3Å; G813-S815 PolarHBondContact O-N 2.78Å
814K62.4Low65.4Low94 Ų9472 Ų7241%0.40937%0.37SS..  trans-62.7123.4176.3-69.1178.2-179.8165.70109.2M118M118-K814 HydrophobicContact CE-CB 3.8Å; M118-K814 HydrophobicContact CE-CD 3.95Å; M118-K814 HydrophobicContact CG-CD 4.23Å; M118-K814 HydrophobicContact SD-CB 4.47Å; M118-K814 HydrophobicContact SD-CD 3.69Å
815S77.4Confident66.9Low21 Ų2166.5 Ų66.515%0.14735%0.345CS..BIsolated β-bridgetrans-82.8151.2-172.682.10000111.5G813 L817 E818 I819G813-S815 PolarHBondContact O-N 2.78Å; S815-L817 PolarHBondContact O-N 2.98Å; S815-L817 PolarHBondContact OG-N 2.74Å; S815-E818 PolarHBondContact N-OE2 3.36Å; S815-E818 PolarHBondContact O-N 2.71Å; S815-E818 WeakPolarHBondContact OG-CG 3.41Å; S815-E818 PolarHBondContact OG-N 3.12Å; S815-I819 PolarHBondContact O-N 3.02Å
816A86.2Confident68.4Low0 Ų065.9 Ų65.90%034%0.343CS..Hα-helixtrans-56.8-33.3171.100000111.6L126 V127 T128 L153 P154 L157 I819 A820L126-A816 VanDerWaalsContact CD2-CA 3.45Å; L126-A816 HydrophobicContact CD2-CB 3.5Å; L126-A816 VanDerWaalsContact CD2-CB 3.5Å; L126-A816 HydrophobicContact CG-CB 4.04Å; V127-A816 WeakPolarHBondContact O-CB 3.13Å; V127-A816 PolarHBondContact O-N 3.25Å; T128-A816 HydrophobicContact CG2-CB 3.94Å; L153-A816 HydrophobicContact CD1-CB 4.48Å; P154-A816 HydrophobicContact CG-CB 4.37Å; L157-A816 HydrophobicContact CD1-CB 4.01Å; L157-A816 WeakPolarHBondContact CD1-O 3.38Å; A816-I819 PolarHBondContact O-N 3.14Å; A816-A820 WeakPolarHBondContact O-CB 3.29Å; A816-A820 PolarHBondContact O-N 2.87Å
817L84.4Confident69.8Low7 Ų758.9 Ų58.94%0.03731%0.312CS..Hα-helixtrans-69.1-38.3179.4-59.2170.9000112P129 P154 L777 I798 S815 I819 A820 H821P129-L817 HydrophobicContact CG-CD1 4.09Å; P129-L817 HydrophobicContact CG-CD2 3.84Å; P129-L817 HydrophobicContact CG-CG 4.18Å; P154-L817 HydrophobicContact CG-CD2 3.88Å; L777-L817 HydrophobicContact CD1-CD2 3.82Å; L777-L817 HydrophobicContact CD2-CB 4.35Å; L777-L817 HydrophobicContact CD2-CD2 4.22Å; I798-L817 HydrophobicContact CD1-CD1 3.2Å; I798-L817 HydrophobicContact CG1-CD1 3.76Å; S815-L817 PolarHBondContact O-N 2.98Å; S815-L817 PolarHBondContact OG-N 2.74Å; L817-I819 PolarHBondContact O-N 3.3Å; L817-A820 PolarHBondContact O-N 2.85Å; L817-H821 WeakPolarHBondContact O-CB 3.4Å; L817-H821 PolarHBondContact O-N 2.81Å
818E82.5Confident71.3Confident54 Ų5451 Ų5125%0.25228%0.279SS..Hα-helixtrans-62.5-43.2176.1-77.9178.515800111S815 H821 F822 K833S815-E818 PolarHBondContact N-OE2 3.36Å; S815-E818 PolarHBondContact O-N 2.71Å; S815-E818 WeakPolarHBondContact OG-CG 3.41Å; S815-E818 PolarHBondContact OG-N 3.12Å; E818-H821 WeakPolarHBondContact O-CB 3.34Å; E818-H821 PolarHBondContact O-N 3.07Å; E818-F822 HydrophobicContact CB-CE2 4.44Å; E818-F822 WeakPolarHBondContact O-CD2 3.29Å; E818-F822 PolarHBondContact O-N 2.96Å; E818-K833 IonicContact OE1-NZ 2.81Å; E818-K833 PolarHBondContact OE1-NZ 2.76Å
819I85.3Confident72.4Confident4 Ų449.1 Ų49.12%0.02127%0.271CS..Hα-helixtrans-64.7-45.8176.8-53.6-179.9000110.7L10 I115 M118 L126 L157 S815 A816 L817 H821 F822 I823L10-I819 HydrophobicContact CD2-CD1 4.39Å; I115-I819 HydrophobicContact CD1-CG2 4.48Å; I115-I819 HydrophobicContact CG1-CG2 4.49Å; M118-I819 HydrophobicContact CE-CD1 3.66Å; M118-I819 HydrophobicContact CE-CG1 4.5Å; M118-I819 HydrophobicContact SD-CD1 3.87Å; M118-I819 HydrophobicContact SD-CG1 4.41Å; L126-I819 HydrophobicContact CD1-CD1 4.14Å; L126-I819 HydrophobicContact CD2-CD1 4.06Å; L157-I819 HydrophobicContact CD2-CB 4.21Å; L157-I819 HydrophobicContact CD2-CG2 3.73Å; S815-I819 PolarHBondContact O-N 3.02Å; A816-I819 PolarHBondContact O-N 3.14Å; L817-I819 PolarHBondContact O-N 3.3Å; I819-H821 VanDerWaalsContact C-N 3.29Å; I819-H821 PolarHBondContact O-N 3.39Å; I819-F822 PolarHBondContact O-N 3.47Å; I819-I823 HydrophobicContact CG2-CD1 3.94Å; I819-I823 HydrophobicContact CG2-CG1 4.5Å; I819-I823 WeakPolarHBondContact O-CG1 3.19Å; I819-I823 PolarHBondContact O-N 2.71Å
820A87.8Confident73.8Confident0 Ų041.3 Ų41.30%024%0.238CC..Hα-helixtrans-60.2-41.3177.300000111.9P154 V156 L157 L777 A816 L817 I823 N824P154-A820 HydrophobicContact CB-CB 3.71Å; P154-A820 HydrophobicContact CG-CB 4.05Å; V156-A820 HydrophobicContact CG1-CB 3.5Å; L157-A820 HydrophobicContact CG-CB 4.48Å; L777-A820 HydrophobicContact CD2-CB 3.85Å; A816-A820 WeakPolarHBondContact O-CB 3.29Å; A816-A820 PolarHBondContact O-N 2.87Å; L817-A820 PolarHBondContact O-N 2.85Å; A820-I823 PolarHBondContact O-N 3.01Å; A820-N824 PolarHBondContact O-N 3.47Å; A820-N824 VanDerWaalsContact O-N 3.09Å; A820-N824 PolarHBondContact O-ND2 3.45Å
821H85.3Confident75.6Confident9 Ų940.1 Ų40.14%0.04222%0.22CC..Hα-helixtrans-57.8-50.5174.5171.784.4000111.1S776 L777 L817 E818 I819 I823 N824 S825 S831S776-H821 WeakPolarHBondContact CB-ND1 3.39Å; S776-H821 PolarHBondContact OG-ND1 3.04Å; L777-H821 HydrophobicContact CD2-CB 4.4Å; L817-H821 WeakPolarHBondContact O-CB 3.4Å; L817-H821 PolarHBondContact O-N 2.81Å; E818-H821 WeakPolarHBondContact O-CB 3.34Å; E818-H821 PolarHBondContact O-N 3.07Å; I819-H821 VanDerWaalsContact C-N 3.29Å; I819-H821 PolarHBondContact O-N 3.39Å; H821-I823 PolarHBondContact O-N 3.2Å; H821-N824 PolarHBondContact O-N 3.33Å; H821-S825 WeakPolarHBondContact O-CB 3.13Å; H821-S825 PolarHBondContact O-N 3.07Å; H821-S825 PolarHBondContact O-OG 3.37Å; H821-S831 PolarHBondContact CE1-OG 3.36Å; H821-S831 PolarHBondContact NE2-OG 3.37Å
822F82.6Confident76.8Confident97 Ų9731.7 Ų31.743%0.42519%0.189SC..Hα-helixtrans-64.2-36.7179.4-73.8-60.2000113.7L111 E818 I819 S825 L826L111-F822 HydrophobicContact CD1-CB 4.11Å; E818-F822 HydrophobicContact CB-CE2 4.44Å; E818-F822 WeakPolarHBondContact O-CD2 3.29Å; E818-F822 PolarHBondContact O-N 2.96Å; I819-F822 PolarHBondContact O-N 3.47Å; F822-S825 WeakPolarHBondContact CA-OG 3.41Å; F822-S825 PolarHBondContact O-OG 3.49Å; F822-L826 WeakPolarHBondContact O-CG 3.45Å; F822-L826 PolarHBondContact O-N 2.86Å
823I85.3Confident78.1Confident10 Ų1030.1 Ų30.15%0.05117%0.166CC..Hα-helixtrans-65.2-50177.4-67.6161.1000110.2L13 L111 V156 L157 L219 I819 A820 H821 S825 L826L13-I823 HydrophobicContact CD2-CD1 4.41Å; L111-I823 HydrophobicContact CD2-CB 4.43Å; L111-I823 HydrophobicContact CD2-CG1 3.7Å; V156-I823 HydrophobicContact CG1-CD1 4.49Å; V156-I823 HydrophobicContact CG2-CB 4.18Å; V156-I823 HydrophobicContact CG2-CD1 4.38Å; V156-I823 HydrophobicContact CG2-CG2 3.54Å; L157-I823 HydrophobicContact CD2-CD1 3.63Å; L219-I823 HydrophobicContact CD1-CG2 4.05Å; I819-I823 HydrophobicContact CG2-CD1 3.94Å; I819-I823 HydrophobicContact CG2-CG1 4.5Å; I819-I823 WeakPolarHBondContact O-CG1 3.19Å; I819-I823 PolarHBondContact O-N 2.71Å; A820-I823 PolarHBondContact O-N 3.01Å; H821-I823 PolarHBondContact O-N 3.2Å; I823-S825 VanDerWaalsContact C-N 3.31Å; I823-S825 PolarHBondContact O-N 2.98Å; I823-L826 WeakPolarHBondContact O-CB 3.1Å; I823-L826 WeakPolarHBondContact O-CD1 3.3Å; I823-L826 VanDerWaalsContact O-CG 3.3Å; I823-L826 WeakPolarHBondContact O-CG 3.2Å; I823-L826 PolarHBondContact O-N 2.89Å
824N85.3Confident78.5Confident7 Ų729 Ų294%0.03715%0.149CC..Hα-helixtrans-76.3-19.1-176.2-70.5-26.4000113.1S776 A820 H821 P827S776-N824 WeakPolarHBondContact O-CB 3.4Å; S776-N824 PolarHBondContact O-ND2 2.9Å; A820-N824 PolarHBondContact O-N 3.47Å; A820-N824 VanDerWaalsContact O-N 3.09Å; A820-N824 PolarHBondContact O-ND2 3.45Å; H821-N824 PolarHBondContact O-N 3.33Å; N824-P827 WeakPolarHBondContact O-CD 3.38Å
825S82.6Confident78.3Confident14 Ų1432 Ų3210%0.09817%0.169CC..THydrogen-bonded Turntrans-87.6-3175.768.20000114.6S793 H821 F822 I823 P827 C828 S831S793-S825 WeakPolarHBondContact OG-CB 3.04Å; H821-S825 WeakPolarHBondContact O-CB 3.13Å; H821-S825 PolarHBondContact O-N 3.07Å; H821-S825 PolarHBondContact O-OG 3.37Å; F822-S825 WeakPolarHBondContact CA-OG 3.41Å; F822-S825 PolarHBondContact O-OG 3.49Å; I823-S825 VanDerWaalsContact C-N 3.31Å; I823-S825 PolarHBondContact O-N 2.98Å; S825-P827 VanDerWaalsContact C-CD 3.4Å; S825-P827 VanDerWaalsContact C-N 3.31Å; S825-C828 WeakPolarHBondContact O-CA 3.45Å; S825-C828 VanDerWaalsContact O-CB 3.28Å; S825-C828 WeakPolarHBondContact O-CB 3.47Å; S825-C828 PolarHBondContact O-N 3.19Å; S825-S831 VanDerWaalsContact CB-OG 3.27Å; S825-S831 WeakPolarHBondContact CB-OG 3.24Å; S825-S831 PolarHBondContact OG-OG 3.14Å
826L79.6Confident77.3Confident25 Ų2536.9 Ų36.913%0.13119%0.19CC..THydrogen-bonded Turntrans-47.9-41.7175.2-73.3175.3000115L104 K107 L111 F225 F822 I823 C828L104-L826 HydrophobicContact CD1-CB 4.28Å; K107-L826 HydrophobicContact CB-CD2 4.13Å; L111-L826 HydrophobicContact CD2-CD1 4.12Å; L111-L826 HydrophobicContact CD2-CD2 4.35Å; L111-L826 HydrophobicContact CD2-CG 4.45Å; F225-L826 HydrophobicContact CZ-CB 4.17Å; F822-L826 WeakPolarHBondContact O-CG 3.45Å; F822-L826 PolarHBondContact O-N 2.86Å; I823-L826 WeakPolarHBondContact O-CB 3.1Å; I823-L826 WeakPolarHBondContact O-CD1 3.3Å; I823-L826 VanDerWaalsContact O-CG 3.3Å; I823-L826 WeakPolarHBondContact O-CG 3.2Å; I823-L826 PolarHBondContact O-N 2.89Å; L826-C828 VanDerWaalsContact C-N 3.33Å
827P76.6Confident75.7Confident27 Ų2738.1 Ų38.118%0.17520%0.2CC..THydrogen-bonded Turntrans-80.3-11.1176.132.3-37.2000114.4F225 T782 F785 C786 N824 S825F225-P827 HydrophobicContact CE1-CB 3.98Å; T782-P827 HydrophobicContact CG2-CG 3.83Å; F785-P827 HydrophobicContact CB-CB 4.37Å; F785-P827 HydrophobicContact CB-CG 3.86Å; F785-P827 HydrophobicContact CD2-CG 4.46Å; C786-P827 WeakPolarHBondContact SG-CB 3.47Å; N824-P827 WeakPolarHBondContact O-CD 3.38Å; S825-P827 VanDerWaalsContact C-CD 3.4Å; S825-P827 VanDerWaalsContact C-N 3.31Å
828C76Confident74.3Confident6 Ų641.4 Ų41.44%0.04121%0.214CC..  trans-75.6146.8-178-640000111.3F785 A791 S793 S825 L826F785-C828 WeakPolarHBondContact CD2-SG 3.37Å; F785-C828 WeakPolarHBondContact CG-SG 3.44Å; A791-C828 HydrophobicContact CB-CB 4.38Å; A791-C828 WeakPolarHBondContact O-CB 3.31Å; S793-C828 VanDerWaalsContact CB-SG 3.56Å; S793-C828 WeakPolarHBondContact OG-CB 3.39Å; S793-C828 PolarHBondContact OG-SG 3.15Å; S825-C828 WeakPolarHBondContact O-CA 3.45Å; S825-C828 VanDerWaalsContact O-CB 3.28Å; S825-C828 WeakPolarHBondContact O-CB 3.47Å; S825-C828 PolarHBondContact O-N 3.19Å; L826-C828 VanDerWaalsContact C-N 3.33Å
829S71.2Confident73.2Confident16 Ų1643.9 Ų43.911%0.11223%0.228CC..SBendtrans-77.7-36.7172.5-50.50000110.5E312 A791E312-S829 VanDerWaalsContact CB-O 3.28Å; E312-S829 WeakPolarHBondContact CB-O 3.47Å; E312-S829 WeakPolarHBondContact CG-O 3.47Å; E312-S829 WeakPolarHBondContact O-CB 3.39Å; A791-S829 PolarHBondContact O-N 2.87Å
830L74Confident72.4Confident40 Ų4044.5 Ų44.521%0.20923%0.232CC..EExtended strand (participates in β ladder)trans-131137.9180-174.470.8000110.2A791 I792 S793 V832A791-L830 PolarHBondContact O-N 3.16Å; I792-L830 WeakPolarHBondContact CA-O 3.2Å; I792-L830 HydrophobicContact CD1-CD2 4.47Å; I792-L830 HydrophobicContact CG1-CB 4.34Å; I792-L830 HydrophobicContact CG2-CB 4.3Å; I792-L830 HydrophobicContact CG2-CD2 4.2Å; I792-L830 HydrophobicContact CG2-CG 4.46Å; S793-L830 PolarHBondContact N-O 3.18Å; S793-L830 PolarHBondContact OG-O 3.02Å; L830-V832 HydrophobicContact CD1-CG2 4.35Å; L830-V832 HydrophobicContact CD2-CG2 3.43Å; L830-V832 VanDerWaalsContact CD2-CG2 3.43Å; L830-V832 HydrophobicContact CG-CG2 3.49Å; L830-V832 VanDerWaalsContact CG-CG2 3.49Å
831S77.4Confident71.3Confident44 Ų4445.1 Ų45.131%0.30824%0.235SC..EExtended strand (participates in β ladder)trans-122.8119.1174-1490000109.6S793 H821 S825S793-S831 WeakPolarHBondContact O-CA 3.3Å; S793-S831 WeakPolarHBondContact OG-CA 3.5Å; S793-S831 WeakPolarHBondContact OG-CB 3.4Å; S793-S831 PolarHBondContact OG-OG 3.35Å; H821-S831 PolarHBondContact CE1-OG 3.36Å; H821-S831 PolarHBondContact NE2-OG 3.37Å; S825-S831 VanDerWaalsContact CB-OG 3.27Å; S825-S831 WeakPolarHBondContact CB-OG 3.24Å; S825-S831 PolarHBondContact OG-OG 3.14Å
832V73.8Confident70.6Confident14 Ų1449.4 Ų49.49%0.08526%0.258CS..EExtended strand (participates in β ladder)trans-124.3137.2-167.1-166.50000110.3I792 S793 V794 E795 L830 E836I792-V832 HydrophobicContact CG2-CG2 3.94Å; S793-V832 PolarHBondContact O-N 2.91Å; V794-V832 WeakPolarHBondContact CA-O 3.4Å; E795-V832 PolarHBondContact N-O 3.4Å; E795-V832 VanDerWaalsContact N-O 3.16Å; L830-V832 HydrophobicContact CD1-CG2 4.35Å; L830-V832 HydrophobicContact CD2-CG2 3.43Å; L830-V832 VanDerWaalsContact CD2-CG2 3.43Å; L830-V832 HydrophobicContact CG-CG2 3.49Å; L830-V832 VanDerWaalsContact CG-CG2 3.49Å; V832-E836 HydrophobicContact CG1-CB 3.6Å
833K70.1Confident69.9Low96 Ų9645.7 Ų45.742%0.41724%0.244SC..EExtended strand (participates in β ladder)trans-81.9145.7166.7-70.9-171.1171.3-172.70109.4E818 D835 E836E818-K833 IonicContact OE1-NZ 2.81Å; E818-K833 PolarHBondContact OE1-NZ 2.76Å; K833-D835 PolarHBondContact O-N 2.84Å; K833-E836 WeakPolarHBondContact O-CB 3.18Å; K833-E836 PolarHBondContact O-N 3.02Å
834L62.6Low69.2Low25 Ų2545.2 Ų45.213%0.13124%0.241CC..G310 helixtrans-57.7-30.3-164.6-144.7120.9000115.5G326 I327 V794 E795 M797 E836 A837G326-L834 WeakPolarHBondContact O-CD1 3.37Å; I327-L834 HydrophobicContact CG1-CD1 4.32Å; V794-L834 HydrophobicContact CG1-CD1 3.67Å; V794-L834 HydrophobicContact CG1-CG 4.17Å; E795-L834 VanDerWaalsContact O-CD1 3.24Å; E795-L834 WeakPolarHBondContact O-CD1 3.4Å; M797-L834 HydrophobicContact CG-CD1 4.31Å; M797-L834 HydrophobicContact CG-CD2 4Å; M797-L834 HydrophobicContact SD-CD2 4.23Å; L834-E836 PolarHBondContact O-N 3.04Å; L834-A837 WeakPolarHBondContact O-CB 3.46Å; L834-A837 PolarHBondContact O-N 3.42Å
835D58.4Low68.5Low156 Ų15645.9 Ų45.983%0.83425%0.245SC*.G310 helixtrans-67.8-20.3177.7-64.6-22.6000112.7K833K833-D835 PolarHBondContact O-N 2.84Å
836E56.1Low68Low123 Ų12347.6 Ų47.658%0.57525%0.253SS*.G310 helixtrans-98.6-5.3-179.4-64.6176.1174.600113.2V832 K833 L834 F838 L839V832-E836 HydrophobicContact CG1-CB 3.6Å; K833-E836 WeakPolarHBondContact O-CB 3.18Å; K833-E836 PolarHBondContact O-N 3.02Å; L834-E836 PolarHBondContact O-N 3.04Å; E836-F838 PolarHBondContact O-N 3.35Å; E836-L839 WeakPolarHBondContact O-CB 3.44Å; E836-L839 PolarHBondContact O-N 3.01Å
837A52.9Low67.6Low26 Ų2646.9 Ų46.922%0.21525%0.249CC..G310 helixtrans-58.5-22.2-175.800000113.5L834 L839 L840L834-A837 WeakPolarHBondContact O-CB 3.46Å; L834-A837 PolarHBondContact O-N 3.42Å; A837-L839 VanDerWaalsContact C-N 3.3Å; A837-L839 PolarHBondContact O-N 2.82Å; A837-L840 VanDerWaalsContact O-CB 3.27Å; A837-L840 WeakPolarHBondContact O-CB 3.33Å; A837-L840 PolarHBondContact O-N 3.02Å
838F55.3Low67.4Low76 Ų7646 Ų4633%0.33324%0.243SC..G310 helixtrans-73-16.9176.2-76.9-73.1000114.7D622 I623 L626 E836 L840D622-F838 HydrophobicContact CB-CD1 4.31Å; D622-F838 HydrophobicContact CB-CD2 4.39Å; D622-F838 HydrophobicContact CB-CE1 3.39Å; D622-F838 HydrophobicContact CB-CE2 3.45Å; D622-F838 VanDerWaalsContact CB-CE2 3.45Å; D622-F838 HydrophobicContact CB-CZ 2.93Å; D622-F838 WeakPolarHBondContact O-CE1 3.02Å; I623-F838 HydrophobicContact CD1-CZ 4.48Å; L626-F838 HydrophobicContact CB-CE1 4.23Å; E836-F838 PolarHBondContact O-N 3.35Å; F838-L840 PolarHBondContact O-N 2.78Å
839L59.9Low67.2Low106 Ų10647 Ų4756%0.55525%0.247SC*.G310 helixtrans-71.1-12.1174-151.875.2000112.1E836 A837 N841 N842 T843E836-L839 WeakPolarHBondContact O-CB 3.44Å; E836-L839 PolarHBondContact O-N 3.01Å; A837-L839 VanDerWaalsContact C-N 3.3Å; A837-L839 PolarHBondContact O-N 2.82Å; L839-N841 VanDerWaalsContact C-N 3.27Å; L839-N841 PolarHBondContact O-N 2.87Å; L839-N842 HydrophobicContact CD1-CB 4.45Å; L839-N842 HydrophobicContact CG-CB 4.47Å; L839-N842 WeakPolarHBondContact O-CB 3.39Å; L839-N842 PolarHBondContact O-N 3.36Å; L839-T843 PolarHBondContact O-N 2.95Å; L839-T843 PolarHBondContact O-OG1 2.95Å; L839-T843 VanDerWaalsContact O-OG1 3.13Å
840L66.7Low67.3Low17 Ų1749.8 Ų49.89%0.08926%0.259CS..Hα-helixtrans-54.6-40.9-178.2-176.660.3000112.5I792 A837 F838 N842 T843 I844I792-L840 HydrophobicContact CD1-CD1 3.4Å; I792-L840 VanDerWaalsContact CD1-CD1 3.4Å; I792-L840 HydrophobicContact CD1-CD2 4.38Å; A837-L840 VanDerWaalsContact O-CB 3.27Å; A837-L840 WeakPolarHBondContact O-CB 3.33Å; A837-L840 PolarHBondContact O-N 3.02Å; F838-L840 PolarHBondContact O-N 2.78Å; L840-N842 PolarHBondContact O-N 2.74Å; L840-T843 PolarHBondContact O-N 3.04Å; L840-I844 HydrophobicContact CD1-CD1 4.28Å; L840-I844 HydrophobicContact CD1-CG1 4.39Å; L840-I844 HydrophobicContact CG-CD1 3.94Å; L840-I844 HydrophobicContact CG-CG1 4.46Å; L840-I844 WeakPolarHBondContact O-CG1 3.41Å; L840-I844 PolarHBondContact O-N 3.37Å
841N66.3Low67.3Low13 Ų1349.1 Ų49.17%0.0726%0.256CS..Hα-helixtrans-66.7-40.1179.7-16958.8000112L839 T843 I844 D845L839-N841 VanDerWaalsContact C-N 3.27Å; L839-N841 PolarHBondContact O-N 2.87Å; N841-T843 VanDerWaalsContact C-N 3.31Å; N841-T843 PolarHBondContact O-N 3.19Å; N841-I844 WeakPolarHBondContact O-CB 3.47Å; N841-I844 PolarHBondContact O-N 3.23Å; N841-D845 PolarHBondContact ND2-OD2 2.99Å; N841-D845 PolarHBondContact O-N 3.01Å
842N68.9Low67.1Low99 Ų9948.5 Ų48.553%0.52925%0.248SC..Hα-helixtrans-63.9-40.4176.6-67.4-15.9000111.1L839 L840 I844 D845 L846L839-N842 HydrophobicContact CD1-CB 4.45Å; L839-N842 HydrophobicContact CG-CB 4.47Å; L839-N842 WeakPolarHBondContact O-CB 3.39Å; L839-N842 PolarHBondContact O-N 3.36Å; L840-N842 PolarHBondContact O-N 2.74Å; N842-I844 VanDerWaalsContact C-N 3.34Å; N842-D845 PolarHBondContact O-N 3.44Å; N842-L846 VanDerWaalsContact O-CB 3.25Å; N842-L846 WeakPolarHBondContact O-CB 3.29Å; N842-L846 PolarHBondContact O-N 3.39Å
843T68.7Low67.2Low20 Ų2048.3 Ų48.312%0.12325%0.247CC..Hα-helixtrans-62.8-40.9174.6-55.30000111.8D313 L839 L840 N841 S847D313-T843 HydrophobicContact CB-CG2 4.23Å; D313-T843 WeakPolarHBondContact OD1-CG2 3.47Å; D313-T843 VanDerWaalsContact OD2-CG2 3.29Å; D313-T843 WeakPolarHBondContact OD2-CG2 3.39Å; L839-T843 PolarHBondContact O-N 2.95Å; L839-T843 PolarHBondContact O-OG1 2.95Å; L839-T843 VanDerWaalsContact O-OG1 3.13Å; L840-T843 PolarHBondContact O-N 3.04Å; N841-T843 VanDerWaalsContact C-N 3.31Å; N841-T843 PolarHBondContact O-N 3.19Å; T843-S847 VanDerWaalsContact O-CB 3.29Å; T843-S847 WeakPolarHBondContact O-CB 3.48Å; T843-S847 PolarHBondContact O-N 2.86Å; T843-S847 PolarHBondContact O-OG 3.16Å; T843-S847 VanDerWaalsContact O-OG 3.08Å
844I71.6Confident67.5Low0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-62.5-48.4175.7-70.9172.9000111.1P316 L630 I635 L840 N841 N842 S847 R848P316-I844 HydrophobicContact CG-CD1 3.59Å; P316-I844 HydrophobicContact CG-CG1 3.34Å; L630-I844 HydrophobicContact CD2-CD1 3.91Å; I635-I844 HydrophobicContact CD1-CD1 3.95Å; I635-I844 HydrophobicContact CD1-CG2 3.85Å; L840-I844 HydrophobicContact CD1-CD1 4.28Å; L840-I844 HydrophobicContact CD1-CG1 4.39Å; L840-I844 HydrophobicContact CG-CD1 3.94Å; L840-I844 HydrophobicContact CG-CG1 4.46Å; L840-I844 WeakPolarHBondContact O-CG1 3.41Å; L840-I844 PolarHBondContact O-N 3.37Å; N841-I844 WeakPolarHBondContact O-CB 3.47Å; N841-I844 PolarHBondContact O-N 3.23Å; N842-I844 VanDerWaalsContact C-N 3.34Å; I844-S847 PolarHBondContact O-N 3.17Å; I844-S847 PolarHBondContact O-OG 3.32Å; I844-R848 HydrophobicContact CG2-CG 4.47Å; I844-R848 WeakPolarHBondContact O-CB 3.23Å; I844-R848 WeakPolarHBondContact O-CG 3.28Å; I844-R848 PolarHBondContact O-N 3.46Å
845D69.6Low68.1Low21 Ų2146.5 Ų46.511%0.11224%0.237CC..Hα-helixtrans-66.3-40.7-177.7-71.8-29.7000111.5N841 N842 R848 H849 T914N841-D845 PolarHBondContact ND2-OD2 2.99Å; N841-D845 PolarHBondContact O-N 3.01Å; N842-D845 PolarHBondContact O-N 3.44Å; D845-R848 PolarHBondContact O-N 3.4Å; D845-H849 PolarHBondContact O-N 2.85Å; D845-T914 VanDerWaalsContact OD2-CG2 3.25Å; D845-T914 WeakPolarHBondContact OD2-CG2 3.36Å
846L71.8Confident69.2Low50 Ų5039.8 Ų39.826%0.26220%0.201SC..Hα-helixtrans-64.1-47.9175.4-178.352.2000111.7F310 N842 R848 H849 M850 L909F310-L846 HydrophobicContact CD1-CD2 4.36Å; F310-L846 HydrophobicContact CE1-CD2 3.22Å; F310-L846 HydrophobicContact CE1-CG 3.96Å; F310-L846 HydrophobicContact CE2-CD2 4.26Å; F310-L846 HydrophobicContact CZ-CD2 3.17Å; F310-L846 HydrophobicContact CZ-CG 4.34Å; N842-L846 VanDerWaalsContact O-CB 3.25Å; N842-L846 WeakPolarHBondContact O-CB 3.29Å; N842-L846 PolarHBondContact O-N 3.39Å; L846-R848 VanDerWaalsContact C-N 3.32Å; L846-R848 PolarHBondContact O-N 3.12Å; L846-H849 WeakPolarHBondContact O-CB 3.43Å; L846-H849 PolarHBondContact O-N 3.36Å; L846-M850 HydrophobicContact CD1-CG 4.28Å; L846-M850 HydrophobicContact CD1-SD 4.44Å; L846-M850 HydrophobicContact CG-SD 4.43Å; L846-M850 WeakPolarHBondContact O-CG 3.36Å; L846-M850 PolarHBondContact O-N 3.39Å; L846-L909 HydrophobicContact CD1-CD1 3.61Å
847S71.3Confident70.4Confident9 Ų934.1 Ų34.16%0.06318%0.175CC..Hα-helixtrans-63.5-37.7178.468.40000112K315 T843 I844 M850 L851K315-S847 VanDerWaalsContact CE-O 3.27Å; K315-S847 WeakPolarHBondContact CE-O 2.85Å; K315-S847 VanDerWaalsContact NZ-C 3.31Å; K315-S847 PolarHBondContact NZ-O 3.36Å; T843-S847 VanDerWaalsContact O-CB 3.29Å; T843-S847 WeakPolarHBondContact O-CB 3.48Å; T843-S847 PolarHBondContact O-N 2.86Å; T843-S847 PolarHBondContact O-OG 3.16Å; T843-S847 VanDerWaalsContact O-OG 3.08Å; I844-S847 PolarHBondContact O-N 3.17Å; I844-S847 PolarHBondContact O-OG 3.32Å; S847-M850 PolarHBondContact O-N 3.35Å; S847-L851 PolarHBondContact O-N 3.32Å; S847-L851 VanDerWaalsContact O-N 3.09Å
848R72.9Confident71.7Confident9 Ų933.3 Ų33.33%0.03417%0.166CC..Hα-helixtrans-58.9-48.8172.5-78.3171.4176.7-154.8-6.4111.7S633 I635 I844 D845 L846 L851 L852 T914S633-R848 VanDerWaalsContact O-CZ 3.23Å; S633-R848 PolarHBondContact O-NH1 2.65Å; S633-R848 PolarHBondContact O-NH2 3.48Å; I635-R848 VanDerWaalsContact CD1-NH2 3.32Å; I844-R848 HydrophobicContact CG2-CG 4.47Å; I844-R848 WeakPolarHBondContact O-CB 3.23Å; I844-R848 WeakPolarHBondContact O-CG 3.28Å; I844-R848 PolarHBondContact O-N 3.46Å; D845-R848 PolarHBondContact O-N 3.4Å; L846-R848 VanDerWaalsContact C-N 3.32Å; L846-R848 PolarHBondContact O-N 3.12Å; R848-L851 PolarHBondContact O-N 2.8Å; R848-L852 WeakPolarHBondContact O-CB 3.45Å; R848-L852 PolarHBondContact O-N 2.86Å; R848-T914 PolarHBondContact NH1-O 3.27Å; R848-T914 VanDerWaalsContact NH1-O 3.13Å
849H72.8Confident73Confident27 Ų2732.5 Ų32.513%0.12516%0.162CC..Hα-helixtrans-59.5-50.7177.1-178.475.5000111.4D845 L846 L851 L852 T853 S907 P908 L909D845-H849 PolarHBondContact O-N 2.85Å; L846-H849 WeakPolarHBondContact O-CB 3.43Å; L846-H849 PolarHBondContact O-N 3.36Å; H849-L851 VanDerWaalsContact C-N 3.32Å; H849-L851 PolarHBondContact O-N 3.19Å; H849-L852 WeakPolarHBondContact O-CB 3.43Å; H849-L852 PolarHBondContact O-N 3.5Å; H849-L852 VanDerWaalsContact O-N 3.08Å; H849-T853 WeakPolarHBondContact NE2-CG2 3.47Å; H849-T853 WeakPolarHBondContact O-CG2 3.3Å; H849-T853 PolarHBondContact O-N 3.11Å; H849-T853 PolarHBondContact O-OG1 3.31Å; H849-S907 PolarHBondContact NE2-O 3.34Å; H849-P908 PolarHBondContact CE1-O 3.14Å; H849-L909 HydrophobicContact CB-CD1 3.81Å; H849-L909 HydrophobicContact CB-CG 4.19Å; H849-L909 VanDerWaalsContact CD2-CD1 3.41Å; H849-L909 WeakPolarHBondContact CD2-CD1 3.49Å
850M72.4Confident74.4Confident74 Ų7427.5 Ų27.537%0.36514%0.135SC..Hα-helixtrans-58.8-40.1-179.1-70.5-17680.300113.1L846 S847 T853 F854L846-M850 HydrophobicContact CD1-CG 4.28Å; L846-M850 HydrophobicContact CD1-SD 4.44Å; L846-M850 HydrophobicContact CG-SD 4.43Å; L846-M850 WeakPolarHBondContact O-CG 3.36Å; L846-M850 PolarHBondContact O-N 3.39Å; S847-M850 PolarHBondContact O-N 3.35Å; M850-T853 PolarHBondContact O-OG1 3.34Å; M850-F854 VanDerWaalsContact O-CB 3.23Å; M850-F854 WeakPolarHBondContact O-CB 3.26Å; M850-F854 PolarHBondContact O-N 3.12Å
851L73Confident75.3Confident27 Ų2726.8 Ų26.814%0.14113%0.131CC..Hα-helixtrans-70.8-37.8175.7-179.678.6000113.1L233 K315 S847 R848 H849 T853 F854 R855L233-L851 HydrophobicContact CB-CD1 3.59Å; L233-L851 HydrophobicContact CD1-CD1 3.37Å; L233-L851 HydrophobicContact CD2-CD1 3.87Å; L233-L851 HydrophobicContact CG-CD1 3.76Å; K315-L851 HydrophobicContact CD-CB 4.38Å; K315-L851 HydrophobicContact CD-CD1 4.49Å; K315-L851 HydrophobicContact CD-CD2 3.86Å; K315-L851 HydrophobicContact CD-CG 4.45Å; K315-L851 VanDerWaalsContact CE-CG 3.46Å; S847-L851 PolarHBondContact O-N 3.32Å; S847-L851 VanDerWaalsContact O-N 3.09Å; R848-L851 PolarHBondContact O-N 2.8Å; H849-L851 VanDerWaalsContact C-N 3.32Å; H849-L851 PolarHBondContact O-N 3.19Å; L851-T853 VanDerWaalsContact C-N 3.35Å; L851-F854 PolarHBondContact O-N 3Å; L851-R855 VanDerWaalsContact O-CB 3.28Å; L851-R855 WeakPolarHBondContact O-CB 3.45Å; L851-R855 PolarHBondContact O-N 2.94Å
852L74.8Confident76.3Confident30 Ų3026.5 Ų26.516%0.15713%0.13CC..Hα-helixtrans-62.2-49.6177.8173.466.1000109.3R848 H849 F854 R855 I856 L916 Y1019R848-L852 WeakPolarHBondContact O-CB 3.45Å; R848-L852 PolarHBondContact O-N 2.86Å; H849-L852 WeakPolarHBondContact O-CB 3.43Å; H849-L852 PolarHBondContact O-N 3.5Å; H849-L852 VanDerWaalsContact O-N 3.08Å; L852-F854 VanDerWaalsContact C-N 3.32Å; L852-F854 PolarHBondContact O-N 3.17Å; L852-R855 PolarHBondContact O-N 3.42Å; L852-I856 HydrophobicContact CD1-CD1 3.86Å; L852-I856 HydrophobicContact CD1-CG1 4.26Å; L852-I856 HydrophobicContact CD2-CD1 4.47Å; L852-I856 HydrophobicContact CG-CD1 3.74Å; L852-I856 VanDerWaalsContact O-CD1 3.31Å; L852-I856 WeakPolarHBondContact O-CD1 3.26Å; L852-I856 WeakPolarHBondContact O-CG1 3.48Å; L852-I856 PolarHBondContact O-N 3.34Å; L852-L916 HydrophobicContact CD1-CD2 4.46Å; L852-L916 HydrophobicContact CD2-CD2 4.18Å; L852-Y1019 WeakPolarHBondContact CD1-OH 3.28Å; L852-Y1019 HydrophobicContact CD2-CE2 3.39Å; L852-Y1019 WeakPolarHBondContact CD2-OH 3.43Å
853T75.8Confident77.3Confident10 Ų1022 Ų226%0.06111%0.106CC..Hα-helixtrans-62-41.4177.958.80000111.1H849 M850 L851 I856 S857 A905H849-T853 WeakPolarHBondContact NE2-CG2 3.47Å; H849-T853 WeakPolarHBondContact O-CG2 3.3Å; H849-T853 PolarHBondContact O-N 3.11Å; H849-T853 PolarHBondContact O-OG1 3.31Å; M850-T853 PolarHBondContact O-OG1 3.34Å; L851-T853 VanDerWaalsContact C-N 3.35Å; T853-I856 PolarHBondContact O-N 3.43Å; T853-S857 VanDerWaalsContact O-CB 3.29Å; T853-S857 WeakPolarHBondContact O-CB 3.48Å; T853-S857 PolarHBondContact O-N 2.81Å; T853-A905 WeakPolarHBondContact CB-O 3.41Å; T853-A905 PolarHBondContact OG1-O 2.87Å
854F76Confident78.3Confident22 Ų2221.1 Ų21.110%0.09610%0.101CC..Hα-helixtrans-59-48.6172.6-177.5-88.2000112.1L233 F299 M850 L851 L852 I856 S857 F858L233-F854 HydrophobicContact CD1-CD1 3.41Å; L233-F854 VanDerWaalsContact CD1-CD1 3.41Å; L233-F854 HydrophobicContact CD1-CE1 3.53Å; L233-F854 HydrophobicContact CD2-CD1 3.88Å; L233-F854 HydrophobicContact CD2-CE1 3.94Å; L233-F854 HydrophobicContact CD2-CG 4.38Å; L233-F854 HydrophobicContact CD2-CZ 4.47Å; L233-F854 HydrophobicContact CG-CD1 4.22Å; L233-F854 HydrophobicContact CG-CE1 4.12Å; F299-F854 HydrophobicContact CB-CE2 4.12Å; F299-F854 HydrophobicContact CB-CZ 4.27Å; F299-F854 AromaticContact CD1-CE2 3.7Å; F299-F854 HydrophobicContact CD1-CE2 3.7Å; F299-F854 AromaticContact CD1-CZ 3.72Å; F299-F854 HydrophobicContact CD1-CZ 3.72Å; F299-F854 HydrophobicContact CE1-CZ 4.49Å; F299-F854 HydrophobicContact CG-CE2 4.31Å; F299-F854 HydrophobicContact CG-CZ 4.23Å; M850-F854 VanDerWaalsContact O-CB 3.23Å; M850-F854 WeakPolarHBondContact O-CB 3.26Å; M850-F854 PolarHBondContact O-N 3.12Å; L851-F854 PolarHBondContact O-N 3Å; L852-F854 VanDerWaalsContact C-N 3.32Å; L852-F854 PolarHBondContact O-N 3.17Å; F854-I856 VanDerWaalsContact C-N 3.32Å; F854-I856 PolarHBondContact O-N 3.48Å; F854-S857 WeakPolarHBondContact O-CB 3.18Å; F854-S857 PolarHBondContact O-N 3.2Å; F854-F858 HydrophobicContact CE1-CB 4.22Å; F854-F858 WeakPolarHBondContact O-CB 3.22Å; F854-F858 PolarHBondContact O-N 2.81Å
855R76Confident79.2Confident61 Ų6121.1 Ų21.123%0.2310%0.101CC..Hα-helixtrans-62-41.5-179.8-176.2-176.4-69.7175.16.7111.4E236 L851 L852 F858 Y859 F919E236-R855 IonicContact OE1-CZ 3.12Å; E236-R855 VanDerWaalsContact OE1-CZ 3.27Å; E236-R855 IonicContact OE1-NE 3.37Å; E236-R855 IonicContact OE1-NH1 3.18Å; E236-R855 IonicContact OE1-NH2 3.62Å; E236-R855 PolarHBondContact OE1-NH2 3.47Å; E236-R855 IonicContact OE2-CZ 3.59Å; E236-R855 IonicContact OE2-NE 3.63Å; E236-R855 PolarHBondContact OE2-NE 2.88Å; E236-R855 IonicContact OE2-NH2 3.05Å; E236-R855 PolarHBondContact OE2-NH2 3.01Å; L851-R855 VanDerWaalsContact O-CB 3.28Å; L851-R855 WeakPolarHBondContact O-CB 3.45Å; L851-R855 PolarHBondContact O-N 2.94Å; L852-R855 PolarHBondContact O-N 3.42Å; R855-F858 PolarHBondContact O-N 3.42Å; R855-Y859 VanDerWaalsContact O-CB 3.3Å; R855-Y859 WeakPolarHBondContact O-CB 3.02Å; R855-Y859 PolarHBondContact O-N 2.88Å; R855-F919 VanDerWaalsContact NH1-CD2 3.32Å; R855-F919 VanDerWaalsContact NH1-CZ 3.33Å
856I79.9Confident80.2Confident15 Ų1520.8 Ų20.88%0.07710%0.099CC..Hα-helixtrans-63.3-46177-66.7156.4000110L852 T853 F854 Y859 F860 H1015 Y1018L852-I856 HydrophobicContact CD1-CD1 3.86Å; L852-I856 HydrophobicContact CD1-CG1 4.26Å; L852-I856 HydrophobicContact CD2-CD1 4.47Å; L852-I856 HydrophobicContact CG-CD1 3.74Å; L852-I856 VanDerWaalsContact O-CD1 3.31Å; L852-I856 WeakPolarHBondContact O-CD1 3.26Å; L852-I856 WeakPolarHBondContact O-CG1 3.48Å; L852-I856 PolarHBondContact O-N 3.34Å; T853-I856 PolarHBondContact O-N 3.43Å; F854-I856 VanDerWaalsContact C-N 3.32Å; F854-I856 PolarHBondContact O-N 3.48Å; I856-Y859 PolarHBondContact O-N 3.16Å; I856-F860 WeakPolarHBondContact O-CB 3.09Å; I856-F860 PolarHBondContact O-N 3.02Å; I856-H1015 HydrophobicContact CG2-CB 3.92Å; I856-Y1018 VanDerWaalsContact CD1-CB 3.43Å; I856-Y1018 HydrophobicContact CD1-CD1 3.85Å; I856-Y1018 HydrophobicContact CD1-CD2 3.9Å; I856-Y1018 HydrophobicContact CD1-CG 3.43Å; I856-Y1018 VanDerWaalsContact CD1-CG 3.43Å; I856-Y1018 HydrophobicContact CG1-CD1 4.24Å; I856-Y1018 HydrophobicContact CG1-CD2 3.81Å; I856-Y1018 HydrophobicContact CG1-CE2 4.25Å; I856-Y1018 HydrophobicContact CG1-CG 3.84Å; I856-Y1018 HydrophobicContact CG2-CD2 4.12Å
857S82.7Confident81.2Confident4 Ų418.4 Ų18.43%0.0289%0.087CC..Hα-helixtrans-61.1-47.3177.4-173.90000111.4T853 F854 F860 F861 C901T853-S857 VanDerWaalsContact O-CB 3.29Å; T853-S857 WeakPolarHBondContact O-CB 3.48Å; T853-S857 PolarHBondContact O-N 2.81Å; F854-S857 WeakPolarHBondContact O-CB 3.18Å; F854-S857 PolarHBondContact O-N 3.2Å; S857-F860 PolarHBondContact O-N 3.15Å; S857-F861 WeakPolarHBondContact O-CB 3.29Å; S857-F861 PolarHBondContact O-N 3.46Å; S857-C901 WeakPolarHBondContact OG-CA 3.48Å; S857-C901 VanDerWaalsContact OG-CB 3.25Å; S857-C901 WeakPolarHBondContact OG-CB 3.49Å; S857-C901 PolarHBondContact OG-O 3.25Å
858F80.1Confident82.1Confident10 Ų1018 Ų184%0.0448%0.084CC..Hα-helixtrans-61.9-45.7177-177.8-121.4000112.6Y237 I240 F299 F854 R855 F860 F861 L862Y237-F858 HydrophobicContact CD2-CD2 4.31Å; Y237-F858 AromaticContact CD2-CE1 3.89Å; Y237-F858 HydrophobicContact CD2-CE1 3.89Å; Y237-F858 AromaticContact CD2-CE2 3.56Å; Y237-F858 HydrophobicContact CD2-CE2 3.56Å; Y237-F858 AromaticContact CD2-CZ 3.28Å; Y237-F858 HydrophobicContact CD2-CZ 3.28Å; Y237-F858 HydrophobicContact CE2-CD2 4.26Å; Y237-F858 HydrophobicContact CE2-CE1 4.44Å; Y237-F858 AromaticContact CE2-CE2 3.33Å; Y237-F858 HydrophobicContact CE2-CE2 3.33Å; Y237-F858 AromaticContact CE2-CZ 3.42Å; Y237-F858 HydrophobicContact CE2-CZ 3.42Å; Y237-F858 VanDerWaalsContact CE2-CZ 3.42Å; Y237-F858 HydrophobicContact CG-CZ 4.3Å; I240-F858 HydrophobicContact CB-CE1 4.47Å; I240-F858 HydrophobicContact CD1-CE1 4.36Å; I240-F858 HydrophobicContact CG2-CE1 4.34Å; F299-F858 HydrophobicContact CD1-CD2 4.47Å; F299-F858 HydrophobicContact CE1-CB 4.33Å; F299-F858 AromaticContact CE1-CD2 3.61Å; F299-F858 HydrophobicContact CE1-CD2 3.61Å; F299-F858 HydrophobicContact CE1-CE2 4.45Å; F299-F858 HydrophobicContact CE1-CG 4.45Å; F299-F858 HydrophobicContact CE2-CD2 4.24Å; F299-F858 HydrophobicContact CE2-CE2 4.31Å; F299-F858 AromaticContact CZ-CD2 3.48Å; F299-F858 HydrophobicContact CZ-CD2 3.48Å; F299-F858 VanDerWaalsContact CZ-CD2 3.48Å; F299-F858 AromaticContact CZ-CE2 3.95Å; F299-F858 HydrophobicContact CZ-CE2 3.95Å; F854-F858 HydrophobicContact CE1-CB 4.22Å; F854-F858 WeakPolarHBondContact O-CB 3.22Å; F854-F858 PolarHBondContact O-N 2.81Å; R855-F858 PolarHBondContact O-N 3.42Å; F858-F860 VanDerWaalsContact C-N 3.34Å; F858-F860 PolarHBondContact O-N 3.21Å; F858-F861 WeakPolarHBondContact O-CB 3.37Å; F858-F861 PolarHBondContact O-N 2.99Å; F858-L862 HydrophobicContact CD1-CD1 4Å; F858-L862 HydrophobicContact CD2-CG 4.39Å; F858-L862 HydrophobicContact CE1-CD1 3.49Å; F858-L862 VanDerWaalsContact CE1-CD1 3.49Å; F858-L862 HydrophobicContact CE1-CG 4.33Å; F858-L862 HydrophobicContact CE2-CD1 4.05Å; F858-L862 HydrophobicContact CE2-CD2 4.18Å; F858-L862 HydrophobicContact CE2-CG 4.02Å; F858-L862 HydrophobicContact CG-CD1 4.49Å; F858-L862 HydrophobicContact CZ-CD1 3.53Å; F858-L862 HydrophobicContact CZ-CD2 4.19Å; F858-L862 HydrophobicContact CZ-CG 4Å; F858-L862 WeakPolarHBondContact O-CG 3.39Å; F858-L862 PolarHBondContact O-N 2.81Å
859Y82.6Confident83Confident59 Ų5917.7 Ų17.723%0.2318%0.083CC..Hα-helixtrans-63.6-40176.4177.1-94.6000112R855 I856 L862 S863 A933 T936 F941R855-Y859 VanDerWaalsContact O-CB 3.3Å; R855-Y859 WeakPolarHBondContact O-CB 3.02Å; R855-Y859 PolarHBondContact O-N 2.88Å; I856-Y859 PolarHBondContact O-N 3.16Å; Y859-L862 PolarHBondContact O-N 3.4Å; Y859-S863 WeakPolarHBondContact CE1-OG 3.24Å; Y859-S863 VanDerWaalsContact O-CB 3.28Å; Y859-S863 WeakPolarHBondContact O-CB 3.2Å; Y859-S863 PolarHBondContact O-N 2.84Å; Y859-S863 PolarHBondContact O-OG 3.33Å; Y859-A933 HydrophobicContact CE2-CB 4.46Å; Y859-T936 HydrophobicContact CE1-CG2 4.42Å; Y859-T936 WeakPolarHBondContact OH-CB 3.13Å; Y859-T936 WeakPolarHBondContact OH-CG2 3.1Å; Y859-F941 HydrophobicContact CE1-CE2 4.04Å; Y859-F941 HydrophobicContact CE1-CZ 4.5Å
860F87.6Confident83.9Confident0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-62.1-45.6174.8175.9-108.6000111I856 S857 F858 L862 S863 V864 L897 L900 L904 F941 T1008 L1011 H1015I856-F860 WeakPolarHBondContact O-CB 3.09Å; I856-F860 PolarHBondContact O-N 3.02Å; S857-F860 PolarHBondContact O-N 3.15Å; F858-F860 VanDerWaalsContact C-N 3.34Å; F858-F860 PolarHBondContact O-N 3.21Å; F860-L862 PolarHBondContact O-N 3.42Å; F860-S863 PolarHBondContact O-N 2.99Å; F860-V864 HydrophobicContact CD2-CG2 4.06Å; F860-V864 HydrophobicContact CE1-CG2 4.22Å; F860-V864 HydrophobicContact CE2-CG2 3.59Å; F860-V864 HydrophobicContact CZ-CG2 3.68Å; F860-V864 WeakPolarHBondContact O-CG2 3.22Å; F860-V864 PolarHBondContact O-N 3.05Å; F860-L897 HydrophobicContact CD1-CD1 4.1Å; F860-L897 HydrophobicContact CE1-CD1 3.62Å; F860-L897 HydrophobicContact CZ-CD1 4.31Å; F860-L900 HydrophobicContact CE1-CB 4.45Å; F860-L904 HydrophobicContact CB-CD1 4.11Å; F860-L904 HydrophobicContact CD1-CD1 3.57Å; F860-L904 HydrophobicContact CE1-CD1 4.17Å; F860-L904 HydrophobicContact CG-CD1 3.89Å; F860-F941 HydrophobicContact CD2-CE1 4.23Å; F860-F941 HydrophobicContact CD2-CZ 4.34Å; F860-F941 HydrophobicContact CE2-CE1 4.41Å; F860-T1008 HydrophobicContact CZ-CG2 4.11Å; F860-L1011 HydrophobicContact CE2-CB 3.96Å; F860-H1015 AromaticContact CD2-CD2 3.48Å; F860-H1015 VanDerWaalsContact CD2-CD2 3.48Å; F860-H1015 WeakPolarHBondContact CD2-CD2 3.12Å; F860-H1015 AromaticContact CD2-NE2 3.77Å
861F87.1Confident84.8Confident2 Ų215.3 Ų15.31%0.0098%0.075CC..Hα-helixtrans-54.7-54.5175.2-170.1-81.9000111.5F292 P293 F299 S857 F858 S863 V864 S865 L897F292-F861 AromaticContact CD1-CZ 3.85Å; F292-F861 HydrophobicContact CD1-CZ 3.85Å; P293-F861 HydrophobicContact CB-CD1 4.1Å; P293-F861 HydrophobicContact CB-CE1 3.9Å; P293-F861 HydrophobicContact CG-CD1 4.08Å; P293-F861 HydrophobicContact CG-CE1 3.73Å; F299-F861 HydrophobicContact CZ-CB 4.39Å; F299-F861 HydrophobicContact CZ-CD1 4.21Å; F299-F861 HydrophobicContact CZ-CD2 4.46Å; F299-F861 HydrophobicContact CZ-CG 4.07Å; S857-F861 WeakPolarHBondContact O-CB 3.29Å; S857-F861 PolarHBondContact O-N 3.46Å; F858-F861 WeakPolarHBondContact O-CB 3.37Å; F858-F861 PolarHBondContact O-N 2.99Å; F861-S863 VanDerWaalsContact C-N 3.32Å; F861-S863 PolarHBondContact O-N 2.85Å; F861-V864 PolarHBondContact O-N 3.37Å; F861-S865 WeakPolarHBondContact O-CB 3.46Å; F861-S865 PolarHBondContact O-N 2.95Å; F861-S865 PolarHBondContact O-OG 3.33Å; F861-L897 HydrophobicContact CD1-CD2 4.43Å; F861-L897 HydrophobicContact CD2-CD2 3.49Å; F861-L897 VanDerWaalsContact CD2-CD2 3.49Å; F861-L897 HydrophobicContact CD2-CG 3.58Å; F861-L897 HydrophobicContact CE1-CD2 4.37Å; F861-L897 HydrophobicContact CE2-CB 4.36Å; F861-L897 HydrophobicContact CE2-CD2 3.44Å; F861-L897 VanDerWaalsContact CE2-CD2 3.44Å; F861-L897 HydrophobicContact CE2-CG 3.71Å; F861-L897 HydrophobicContact CG-CD2 3.97Å; F861-L897 HydrophobicContact CG-CG 4.39Å; F861-L897 HydrophobicContact CZ-CD2 3.87Å
862L86.3Confident85.6Confident8 Ų814.7 Ų14.74%0.0427%0.071CC..Hα-helixtrans-60.1-40.5178.6-70.4178.9000112.5I240 F245 P293 F858 Y859 F860 S865 T866I240-L862 HydrophobicContact CG2-CD1 3.57Å; F245-L862 HydrophobicContact CD1-CD2 4.24Å; F245-L862 HydrophobicContact CD2-CD2 4.47Å; F245-L862 HydrophobicContact CE1-CB 4.47Å; F245-L862 HydrophobicContact CE1-CD2 3.77Å; F245-L862 HydrophobicContact CE2-CB 4.3Å; F245-L862 HydrophobicContact CE2-CD1 4.1Å; F245-L862 HydrophobicContact CE2-CD2 4.04Å; F245-L862 HydrophobicContact CE2-CG 4.39Å; F245-L862 HydrophobicContact CZ-CB 3.76Å; F245-L862 HydrophobicContact CZ-CD1 4.34Å; F245-L862 HydrophobicContact CZ-CD2 3.68Å; F245-L862 HydrophobicContact CZ-CG 4.14Å; P293-L862 HydrophobicContact CB-CD2 3.52Å; P293-L862 HydrophobicContact CG-CD2 3.63Å; F858-L862 HydrophobicContact CD1-CD1 4Å; F858-L862 HydrophobicContact CD2-CG 4.39Å; F858-L862 HydrophobicContact CE1-CD1 3.49Å; F858-L862 VanDerWaalsContact CE1-CD1 3.49Å; F858-L862 HydrophobicContact CE1-CG 4.33Å; F858-L862 HydrophobicContact CE2-CD1 4.05Å; F858-L862 HydrophobicContact CE2-CD2 4.18Å; F858-L862 HydrophobicContact CE2-CG 4.02Å; F858-L862 HydrophobicContact CG-CD1 4.49Å; F858-L862 HydrophobicContact CZ-CD1 3.53Å; F858-L862 HydrophobicContact CZ-CD2 4.19Å; F858-L862 HydrophobicContact CZ-CG 4Å; F858-L862 WeakPolarHBondContact O-CG 3.39Å; F858-L862 PolarHBondContact O-N 2.81Å; Y859-L862 PolarHBondContact O-N 3.4Å; F860-L862 PolarHBondContact O-N 3.42Å; L862-S865 PolarHBondContact O-N 3.47Å; L862-T866 WeakPolarHBondContact O-CB 3.16Å; L862-T866 VanDerWaalsContact O-CG2 3.3Å; L862-T866 WeakPolarHBondContact O-CG2 2.96Å; L862-T866 PolarHBondContact O-N 3.48Å; L862-T866 PolarHBondContact O-OG1 3.42Å
863S89.6Confident86.2Confident5 Ų514.6 Ų14.64%0.0357%0.07CC..Hα-helixtrans-69.3-36.6-179.3-59.10000112.2Y859 F860 F861 T866 L867 F937 F941Y859-S863 WeakPolarHBondContact CE1-OG 3.24Å; Y859-S863 VanDerWaalsContact O-CB 3.28Å; Y859-S863 WeakPolarHBondContact O-CB 3.2Å; Y859-S863 PolarHBondContact O-N 2.84Å; Y859-S863 PolarHBondContact O-OG 3.33Å; F860-S863 PolarHBondContact O-N 2.99Å; F861-S863 VanDerWaalsContact C-N 3.32Å; F861-S863 PolarHBondContact O-N 2.85Å; S863-T866 WeakPolarHBondContact CA-OG1 3.28Å; S863-T866 PolarHBondContact O-OG1 3.24Å; S863-L867 WeakPolarHBondContact O-CB 3.43Å; S863-L867 PolarHBondContact O-N 2.97Å; S863-F937 WeakPolarHBondContact O-CE2 3.39Å; S863-F941 VanDerWaalsContact CB-CE1 3.47Å
864V91.2Very high86.8Confident0 Ų015.8 Ų15.80%08%0.076CC..Hα-helixtrans-73.4-40.7175.4176.30000110.9F860 F861 T866 L867 I868 L892 L897 F941 T1008F860-V864 HydrophobicContact CD2-CG2 4.06Å; F860-V864 HydrophobicContact CE1-CG2 4.22Å; F860-V864 HydrophobicContact CE2-CG2 3.59Å; F860-V864 HydrophobicContact CZ-CG2 3.68Å; F860-V864 WeakPolarHBondContact O-CG2 3.22Å; F860-V864 PolarHBondContact O-N 3.05Å; F861-V864 PolarHBondContact O-N 3.37Å; V864-T866 VanDerWaalsContact C-N 3.32Å; V864-T866 PolarHBondContact O-N 3.46Å; V864-L867 VanDerWaalsContact O-CB 3.29Å; V864-L867 WeakPolarHBondContact O-CB 3.5Å; V864-L867 PolarHBondContact O-N 2.88Å; V864-L867 VanDerWaalsContact O-N 3.13Å; V864-I868 HydrophobicContact CG1-CD1 4.27Å; V864-I868 WeakPolarHBondContact O-CG1 3.42Å; V864-I868 PolarHBondContact O-N 2.6Å; V864-L892 HydrophobicContact CG1-CD2 4.43Å; V864-L897 HydrophobicContact CB-CD1 3.9Å; V864-L897 HydrophobicContact CB-CD2 4.17Å; V864-L897 HydrophobicContact CG1-CD1 4Å; V864-L897 HydrophobicContact CG1-CD2 4.18Å; V864-L897 HydrophobicContact CG2-CD1 4.07Å; V864-F941 HydrophobicContact CG2-CE1 4.32Å; V864-T1008 HydrophobicContact CG1-CG2 3.96Å; V864-T1008 HydrophobicContact CG2-CG2 4.17Å
865S90.5Very high87.3Confident0 Ų014.8 Ų14.80%07%0.072CC..Hα-helixtrans-55-46.9172.5-84.20000112.5P289 F861 L862 L867 I868 T869P289-S865 VanDerWaalsContact CB-O 3.31Å; P289-S865 WeakPolarHBondContact CB-O 3.19Å; P289-S865 WeakPolarHBondContact O-CB 3.13Å; P289-S865 PolarHBondContact O-OG 3.2Å; F861-S865 WeakPolarHBondContact O-CB 3.46Å; F861-S865 PolarHBondContact O-N 2.95Å; F861-S865 PolarHBondContact O-OG 3.33Å; L862-S865 PolarHBondContact O-N 3.47Å; S865-L867 VanDerWaalsContact C-N 3.34Å; S865-I868 PolarHBondContact O-N 3.32Å; S865-T869 WeakPolarHBondContact O-CG2 3.43Å; S865-T869 PolarHBondContact O-N 2.73Å
866T89.7Confident87.5Confident14 Ų1412.6 Ų12.69%0.0867%0.065CC..Hα-helixtrans-69.6-30.117748.50000113F245 L249 L290 L862 S863 V864 T869 V870 F937F245-T866 HydrophobicContact CE1-CG2 3.49Å; F245-T866 VanDerWaalsContact CE1-CG2 3.49Å; F245-T866 HydrophobicContact CZ-CG2 3.42Å; F245-T866 VanDerWaalsContact CZ-CG2 3.42Å; L249-T866 HydrophobicContact CD2-CG2 3.49Å; L249-T866 VanDerWaalsContact CD2-CG2 3.49Å; L290-T866 HydrophobicContact CD2-CG2 3.75Å; L862-T866 WeakPolarHBondContact O-CB 3.16Å; L862-T866 VanDerWaalsContact O-CG2 3.3Å; L862-T866 WeakPolarHBondContact O-CG2 2.96Å; L862-T866 PolarHBondContact O-N 3.48Å; L862-T866 PolarHBondContact O-OG1 3.42Å; S863-T866 WeakPolarHBondContact CA-OG1 3.28Å; S863-T866 PolarHBondContact O-OG1 3.24Å; V864-T866 VanDerWaalsContact C-N 3.32Å; V864-T866 PolarHBondContact O-N 3.46Å; T866-T869 WeakPolarHBondContact CA-OG1 3.39Å; T866-T869 PolarHBondContact O-N 3.39Å; T866-T869 PolarHBondContact O-OG1 2.96Å; T866-V870 WeakPolarHBondContact O-CB 3.38Å; T866-V870 VanDerWaalsContact O-CG2 3.23Å; T866-V870 WeakPolarHBondContact O-CG2 3.48Å; T866-V870 PolarHBondContact O-N 3.18Å; T866-F937 WeakPolarHBondContact OG1-CE2 3.5Å
867L92.2Very high87.7Confident1 Ų116.3 Ų16.31%0.0059%0.085CC..Hα-helixtrans-61.9-46.3171.8-174.868.5000111.6S863 V864 S865 T869 V870 V871 F941 G945 F1004 L1011S863-L867 WeakPolarHBondContact O-CB 3.43Å; S863-L867 PolarHBondContact O-N 2.97Å; V864-L867 VanDerWaalsContact O-CB 3.29Å; V864-L867 WeakPolarHBondContact O-CB 3.5Å; V864-L867 PolarHBondContact O-N 2.88Å; V864-L867 VanDerWaalsContact O-N 3.13Å; S865-L867 VanDerWaalsContact C-N 3.34Å; L867-T869 VanDerWaalsContact C-N 3.32Å; L867-T869 PolarHBondContact O-N 2.87Å; L867-V870 PolarHBondContact O-N 3.26Å; L867-V871 WeakPolarHBondContact O-CG2 3.42Å; L867-V871 PolarHBondContact O-N 3.47Å; L867-V871 VanDerWaalsContact O-N 3.11Å; L867-F941 HydrophobicContact CD1-CB 4.32Å; L867-F941 WeakPolarHBondContact CD1-O 3.31Å; L867-G945 VanDerWaalsContact CD1-CA 3.41Å; L867-F1004 HydrophobicContact CD2-CE1 4.5Å; L867-L1011 HydrophobicContact CD2-CD1 4.13Å
868I91.7Very high87.6Confident0 Ų020.8 Ų20.80%010%0.104CC..Hα-helixtrans-61.5-43179.9-61.3162000110P289 V864 S865 V871 H872 V889 L892 L893 F1004P289-I868 HydrophobicContact CB-CB 4.23Å; P289-I868 HydrophobicContact CB-CG2 4.37Å; P289-I868 HydrophobicContact CG-CB 4.04Å; P289-I868 HydrophobicContact CG-CG2 3.65Å; V864-I868 HydrophobicContact CG1-CD1 4.27Å; V864-I868 WeakPolarHBondContact O-CG1 3.42Å; V864-I868 PolarHBondContact O-N 2.6Å; S865-I868 PolarHBondContact O-N 3.32Å; I868-V871 PolarHBondContact O-N 3.26Å; I868-H872 PolarHBondContact O-N 3.21Å; I868-H872 PolarHBondContact O-ND1 3.08Å; I868-V889 HydrophobicContact CG2-CG1 4.37Å; I868-V889 HydrophobicContact CG2-CG2 4.48Å; I868-L892 HydrophobicContact CD1-CD2 3.82Å; I868-L892 HydrophobicContact CG1-CD2 4.5Å; I868-L893 HydrophobicContact CD1-CD2 3.93Å; I868-L893 HydrophobicContact CD1-CG 4.44Å; I868-F1004 HydrophobicContact CG1-CE1 3.96Å
869T91.5Very high87.3Confident2 Ų221.1 Ų21.11%0.01211%0.108CC..Hα-helixtrans-66.5-41.5178.661.30000112.6A286 P289 L290 S865 T866 L867 V871 H872 L873A286-T869 WeakPolarHBondContact O-CG2 3.42Å; P289-T869 HydrophobicContact CB-CG2 3.66Å; P289-T869 HydrophobicContact CG-CG2 3.79Å; L290-T869 HydrophobicContact CD1-CG2 4.13Å; L290-T869 HydrophobicContact CD2-CG2 3.9Å; L290-T869 HydrophobicContact CG-CG2 3.58Å; S865-T869 WeakPolarHBondContact O-CG2 3.43Å; S865-T869 PolarHBondContact O-N 2.73Å; T866-T869 WeakPolarHBondContact CA-OG1 3.39Å; T866-T869 PolarHBondContact O-N 3.39Å; T866-T869 PolarHBondContact O-OG1 2.96Å; L867-T869 VanDerWaalsContact C-N 3.32Å; L867-T869 PolarHBondContact O-N 2.87Å; T869-V871 VanDerWaalsContact C-N 3.31Å; T869-V871 PolarHBondContact O-N 3.31Å; T869-H872 PolarHBondContact O-N 3.08Å; T869-L873 VanDerWaalsContact O-CB 3.26Å; T869-L873 WeakPolarHBondContact O-CB 3.42Å; T869-L873 PolarHBondContact O-N 3.44Å
870V90.9Very high87Confident50 Ų5018.8 Ų18.830%0.30310%0.099SC..Hα-helixtrans-59.6-41.8177168.10000111.2T866 L867 L873 L874 F937T866-V870 WeakPolarHBondContact O-CB 3.38Å; T866-V870 VanDerWaalsContact O-CG2 3.23Å; T866-V870 WeakPolarHBondContact O-CG2 3.48Å; T866-V870 PolarHBondContact O-N 3.18Å; L867-V870 PolarHBondContact O-N 3.26Å; V870-L873 PolarHBondContact O-N 3Å; V870-L874 HydrophobicContact CG1-CD1 4.12Å; V870-L874 HydrophobicContact CG1-CG 4.45Å; V870-L874 WeakPolarHBondContact O-CG 3.36Å; V870-L874 PolarHBondContact O-N 3.37Å; V870-F937 HydrophobicContact CG2-CE1 4.34Å; V870-F937 HydrophobicContact CG2-CZ 4.26Å
871V91.8Very high86.5Confident1 Ų119.2 Ų19.21%0.00610%0.102CC..Hα-helixtrans-66.5-40.9178.6176.30000112L867 I868 T869 L873 L874 A875 P883 G945 F949 F1004L867-V871 WeakPolarHBondContact O-CG2 3.42Å; L867-V871 PolarHBondContact O-N 3.47Å; L867-V871 VanDerWaalsContact O-N 3.11Å; I868-V871 PolarHBondContact O-N 3.26Å; T869-V871 VanDerWaalsContact C-N 3.31Å; T869-V871 PolarHBondContact O-N 3.31Å; V871-L873 VanDerWaalsContact C-N 3.35Å; V871-L874 PolarHBondContact O-N 3.5Å; V871-A875 PolarHBondContact O-N 3.43Å; V871-P883 HydrophobicContact CG1-CB 4.47Å; V871-P883 HydrophobicContact CG1-CG 4.21Å; V871-G945 WeakPolarHBondContact CG2-O 3.41Å; V871-F949 HydrophobicContact CG1-CB 4.44Å; V871-F1004 HydrophobicContact CB-CE2 4.26Å; V871-F1004 HydrophobicContact CB-CZ 3.9Å; V871-F1004 HydrophobicContact CG1-CE2 3.94Å; V871-F1004 HydrophobicContact CG1-CZ 4.1Å; V871-F1004 HydrophobicContact CG2-CE2 4.3Å; V871-F1004 HydrophobicContact CG2-CZ 3.74Å
872H89.6Confident86.2Confident14 Ų1422.4 Ų22.47%0.06511%0.114CC..Hα-helixtrans-64.8-40.4174.3-74.884.2000111.8A286 I868 T869 A875 L876A286-H872 HydrophobicContact CB-CB 4.23Å; I868-H872 PolarHBondContact O-N 3.21Å; I868-H872 PolarHBondContact O-ND1 3.08Å; T869-H872 PolarHBondContact O-N 3.08Å; H872-A875 PolarHBondContact O-N 3.25Å; H872-L876 WeakPolarHBondContact O-CB 3.46Å; H872-L876 PolarHBondContact O-N 3.45Å
873L88.1Confident86.2Confident28 Ų2822.1 Ų22.115%0.14711%0.113CC..Hα-helixtrans-68.3-37.9-179.7-165146.3000111.4V253 V256 T869 V870 V871 L876 L877V253-L873 HydrophobicContact CB-CD1 4.28Å; V253-L873 HydrophobicContact CG1-CD1 3.85Å; V253-L873 HydrophobicContact CG2-CD1 4.16Å; V256-L873 HydrophobicContact CB-CD1 4.19Å; V256-L873 HydrophobicContact CG1-CD1 4.11Å; V256-L873 HydrophobicContact CG1-CD2 3.79Å; V256-L873 HydrophobicContact CG1-CG 4.09Å; T869-L873 VanDerWaalsContact O-CB 3.26Å; T869-L873 WeakPolarHBondContact O-CB 3.42Å; T869-L873 PolarHBondContact O-N 3.44Å; V870-L873 PolarHBondContact O-N 3Å; V871-L873 VanDerWaalsContact C-N 3.35Å; L873-L876 WeakPolarHBondContact O-CB 3.41Å; L873-L876 PolarHBondContact O-N 2.84Å; L873-L877 HydrophobicContact CD2-CD1 3.66Å; L873-L877 HydrophobicContact CD2-CG 4.22Å; L873-L877 VanDerWaalsContact O-CG 3.3Å; L873-L877 WeakPolarHBondContact O-CG 3.41Å; L873-L877 PolarHBondContact O-N 3.43Å
874L88.5Confident86.1Confident35 Ų3521.9 Ų21.918%0.18311%0.111CC..Hα-helixtrans-62.8-45.9170.1-72.5172.4000111.7V870 V871 L876 L877 F878 F946 F949V870-L874 HydrophobicContact CG1-CD1 4.12Å; V870-L874 HydrophobicContact CG1-CG 4.45Å; V870-L874 WeakPolarHBondContact O-CG 3.36Å; V870-L874 PolarHBondContact O-N 3.37Å; V871-L874 PolarHBondContact O-N 3.5Å; L874-L876 VanDerWaalsContact C-N 3.25Å; L874-L876 PolarHBondContact O-N 3.06Å; L874-L877 PolarHBondContact O-N 2.96Å; L874-F878 HydrophobicContact CD2-CE2 4.31Å; L874-F878 VanDerWaalsContact O-CD2 3.26Å; L874-F878 WeakPolarHBondContact O-CD2 3.48Å; L874-F878 PolarHBondContact O-N 2.9Å; L874-F946 HydrophobicContact CD1-CD2 4.38Å; L874-F949 HydrophobicContact CB-CD1 4.47Å; L874-F949 HydrophobicContact CB-CD2 3.97Å; L874-F949 HydrophobicContact CB-CE2 4.21Å; L874-F949 HydrophobicContact CB-CG 4.12Å; L874-F949 HydrophobicContact CD1-CB 4.32Å; L874-F949 HydrophobicContact CD1-CD1 4.48Å; L874-F949 HydrophobicContact CD1-CG 4.33Å
875A86Confident85.8Confident1 Ų122.3 Ų22.31%0.00811%0.114CC..Hα-helixtrans-59-39.6175.100000111.9R264 V871 H872 A879 M880 P883 F949R264-A875 PolarHBondContact NH2-O 3.34Å; V871-A875 PolarHBondContact O-N 3.43Å; H872-A875 PolarHBondContact O-N 3.25Å; A875-A879 PolarHBondContact O-N 3.48Å; A875-M880 HydrophobicContact CB-CB 4.42Å; A875-M880 PolarHBondContact O-N 2.82Å; A875-P883 HydrophobicContact CB-CG 4.13Å; A875-F949 HydrophobicContact CB-CE2 4.37Å
876L80.3Confident85.5Confident16 Ų1622.3 Ų22.38%0.08411%0.114CC..Hα-helixtrans-63.6-48.7176.4-158.389000111.7C257 S260 R264 D282 H872 L873 L874 F878 A879C257-L876 HydrophobicContact CB-CD2 4.02Å; S260-L876 PolarHBondContact OG-O 3.28Å; R264-L876 VanDerWaalsContact CZ-O 3.24Å; R264-L876 PolarHBondContact NE-O 3.46Å; R264-L876 VanDerWaalsContact NE-O 3.16Å; R264-L876 VanDerWaalsContact NH2-CA 3.28Å; R264-L876 PolarHBondContact NH2-O 3.29Å; D282-L876 HydrophobicContact CB-CD1 4.15Å; H872-L876 WeakPolarHBondContact O-CB 3.46Å; H872-L876 PolarHBondContact O-N 3.45Å; L873-L876 WeakPolarHBondContact O-CB 3.41Å; L873-L876 PolarHBondContact O-N 2.84Å; L874-L876 VanDerWaalsContact C-N 3.25Å; L874-L876 PolarHBondContact O-N 3.06Å; L876-F878 VanDerWaalsContact C-N 3.32Å; L876-F878 PolarHBondContact O-N 3.07Å; L876-A879 PolarHBondContact O-N 2.7Å
877L83Confident85.3Confident93 Ų9324.2 Ų24.249%0.48712%0.124SC..Hα-helixtrans-62.7-36.6-179.9-72.3172.2000112.9V256 L873 L874 A879V256-L877 HydrophobicContact CG1-CD2 4.15Å; L873-L877 HydrophobicContact CD2-CD1 3.66Å; L873-L877 HydrophobicContact CD2-CG 4.22Å; L873-L877 VanDerWaalsContact O-CG 3.3Å; L873-L877 WeakPolarHBondContact O-CG 3.41Å; L873-L877 PolarHBondContact O-N 3.43Å; L874-L877 PolarHBondContact O-N 2.96Å; L877-A879 VanDerWaalsContact C-N 3.3Å; L877-A879 PolarHBondContact O-N 3.18Å
878F80.9Confident85.1Confident98 Ų9825 Ų2543%0.4313%0.127SC..THydrogen-bonded Turntrans-87.513.4-179.3-75.7-72.9000114.6L874 L876 M880 F949L874-F878 HydrophobicContact CD2-CE2 4.31Å; L874-F878 VanDerWaalsContact O-CD2 3.26Å; L874-F878 WeakPolarHBondContact O-CD2 3.48Å; L874-F878 PolarHBondContact O-N 2.9Å; L876-F878 VanDerWaalsContact C-N 3.32Å; L876-F878 PolarHBondContact O-N 3.07Å; F878-M880 HydrophobicContact CB-CG 4.11Å; F878-M880 PolarHBondContact O-N 3.2Å; F878-F949 HydrophobicContact CB-CZ 3.99Å; F878-F949 AromaticContact CD2-CE1 3.75Å; F878-F949 HydrophobicContact CD2-CE1 3.75Å; F878-F949 HydrophobicContact CD2-CE2 4.3Å; F878-F949 AromaticContact CD2-CZ 3.38Å; F878-F949 HydrophobicContact CD2-CZ 3.38Å; F878-F949 AromaticContact CE2-CE1 4Å; F878-F949 HydrophobicContact CE2-CE1 4Å; F878-F949 HydrophobicContact CE2-CZ 4.11Å; F878-F949 HydrophobicContact CG-CE1 4.48Å; F878-F949 AromaticContact CG-CZ 3.88Å; F878-F949 HydrophobicContact CG-CZ 3.88Å
879A74.3Confident85Confident16 Ų1625 Ų2513%0.13213%0.127CC..THydrogen-bonded Turntrans57.627.2-178.600000114.2A875 L876 L877 Y983A875-A879 PolarHBondContact O-N 3.48Å; L876-A879 PolarHBondContact O-N 2.7Å; L877-A879 VanDerWaalsContact C-N 3.3Å; L877-A879 PolarHBondContact O-N 3.18Å; A879-Y983 WeakPolarHBondContact O-CD2 3.48Å
880M76Confident84.8Confident10 Ų1025 Ų255%0.04913%0.127CC..PPolyproline II helixtrans-93.4149.4-177.9-68.7-71.8-73.200111.2A875 F878 Y952 R953 V956 Y983A875-M880 HydrophobicContact CB-CB 4.42Å; A875-M880 PolarHBondContact O-N 2.82Å; F878-M880 HydrophobicContact CB-CG 4.11Å; F878-M880 PolarHBondContact O-N 3.2Å; M880-Y952 HydrophobicContact CE-CE1 4.41Å; M880-R953 HydrophobicContact CE-CB 4.07Å; M880-R953 HydrophobicContact CE-CG 3.98Å; M880-V956 HydrophobicContact CE-CB 3.88Å; M880-V956 HydrophobicContact CE-CG1 3.79Å; M880-V956 HydrophobicContact CE-CG2 4.21Å; M880-Y983 VanDerWaalsContact O-CE2 3.3Å; M880-Y983 WeakPolarHBondContact O-CE2 3.48Å
881P76.7Confident84.7Confident10 Ų1026.9 Ų26.97%0.06513%0.129CC..PPolyproline II helixtrans-56.5157.3173.919.1-27.2000111.8Y952 W986 L993P881-Y952 WeakPolarHBondContact CG-OH 3.26Å; P881-Y952 VanDerWaalsContact O-CE1 3.29Å; P881-Y952 WeakPolarHBondContact O-CE1 3.45Å; P881-Y952 PolarHBondContact O-OH 3.47Å; P881-W986 HydrophobicContact CB-CE3 4.27Å; P881-W986 HydrophobicContact CG-CE3 3.68Å; P881-W986 HydrophobicContact CG-CZ3 3.8Å; P881-L993 HydrophobicContact CB-CD1 4.46Å; P881-L993 HydrophobicContact CB-CD2 4.32Å
882R81Confident84.5Confident68 Ų6826.8 Ų26.826%0.25713%0.129SC..PPolyproline II helixtrans-59.2128.4-17761.4-173.6176.9167.80.8111D75 Y952 Q997D75-R882 IonicContact OD1-NH1 3.83Å; D75-R882 IonicContact OD2-NH1 3.8Å; D75-R882 PolarHBondContact OD2-NH1 3.48Å; D75-R882 IonicContact OD2-NH2 3.86Å; R882-Y952 PolarHBondContact O-OH 3.24Å; R882-Y952 VanDerWaalsContact O-OH 3.09Å; R882-Q997 PolarHBondContact O-NE2 3.33Å
883P86.4Confident84.4Confident2 Ų226.1 Ų26.11%0.01313%0.125CC..SBendtrans-72.4-34.5-176.626.5-32.5000112.7V871 A875 Y952V871-P883 HydrophobicContact CG1-CB 4.47Å; V871-P883 HydrophobicContact CG1-CG 4.21Å; A875-P883 HydrophobicContact CB-CG 4.13Å; P883-Y952 HydrophobicContact CB-CD1 4.13Å; P883-Y952 HydrophobicContact CB-CD2 4.25Å; P883-Y952 HydrophobicContact CB-CE1 4.19Å; P883-Y952 HydrophobicContact CB-CE2 4.3Å; P883-Y952 HydrophobicContact CB-CG 4.15Å
884L88.2Confident84.3Confident0 Ų025.6 Ų25.60%012%0.124CC..SBendtrans-130.1142.4177.5-60.7173.6000109.4M888 V889 F1001 F1004L884-M888 HydrophobicContact CB-CB 4.29Å; L884-M888 HydrophobicContact CD2-CB 4.38Å; L884-M888 HydrophobicContact CD2-SD 4.19Å; L884-V889 HydrophobicContact CB-CG2 3.7Å; L884-V889 HydrophobicContact CD1-CG2 4.2Å; L884-F1001 HydrophobicContact CD2-CB 3.62Å; L884-F1001 HydrophobicContact CD2-CD2 4.04Å; L884-F1001 HydrophobicContact CD2-CG 4.3Å; L884-F1004 HydrophobicContact CD1-CD2 3.89Å; L884-F1004 HydrophobicContact CD1-CE2 4.01Å; L884-F1004 HydrophobicContact CD1-CG 4.29Å; L884-F1004 HydrophobicContact CD2-CD2 4.48Å; L884-F1004 HydrophobicContact CG-CD2 4.45Å
885T85.3Confident84Confident10 Ų1024.8 Ų24.86%0.06112%0.124CC..  trans-80163171.550.10000110.9N887 M888 V889T885-N887 VanDerWaalsContact C-N 3.31Å; T885-N887 VanDerWaalsContact CB-OD1 3.26Å; T885-N887 WeakPolarHBondContact CB-OD1 3.37Å; T885-N887 PolarHBondContact O-N 2.82Å; T885-N887 PolarHBondContact OG1-OD1 3.17Å; T885-M888 WeakPolarHBondContact O-CB 3.08Å; T885-M888 PolarHBondContact O-N 2.78Å; T885-M888 WeakPolarHBondContact OG1-CE 3.4Å; T885-M888 VanDerWaalsContact OG1-CG 3.27Å; T885-M888 WeakPolarHBondContact OG1-CG 3.36Å; T885-M888 PolarHBondContact OG1-SD 2.97Å; T885-M888 VanDerWaalsContact OG1-SD 3.36Å; T885-V889 PolarHBondContact O-N 3.3Å
886A84.4Confident84.2Confident0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-57.7-42.2-175.100000112.9L64 A78 I285 M888 V889 L890L64-A886 HydrophobicContact CD1-CB 4.43Å; L64-A886 HydrophobicContact CD2-CB 3.59Å; A78-A886 HydrophobicContact CB-CB 3.99Å; I285-A886 HydrophobicContact CD1-CB 3.96Å; I285-A886 HydrophobicContact CG1-CB 4.01Å; A886-M888 PolarHBondContact O-N 3.18Å; A886-V889 PolarHBondContact O-N 3.23Å; A886-L890 WeakPolarHBondContact O-CB 3.36Å; A886-L890 PolarHBondContact O-N 3.35Å
887N84.2Confident84.6Confident54 Ų5424.1 Ų24.129%0.28912%0.12SC..Hα-helixtrans-63.1-37.5175.963.2-23000113.1A78 T885 L890 W891A78-N887 HydrophobicContact CB-CB 4.25Å; T885-N887 VanDerWaalsContact C-N 3.31Å; T885-N887 VanDerWaalsContact CB-OD1 3.26Å; T885-N887 WeakPolarHBondContact CB-OD1 3.37Å; T885-N887 PolarHBondContact O-N 2.82Å; T885-N887 PolarHBondContact OG1-OD1 3.17Å; N887-L890 PolarHBondContact O-N 2.78Å; N887-W891 WeakPolarHBondContact O-CB 3.33Å; N887-W891 PolarHBondContact O-N 2.72Å
888M88.6Confident84.7Confident16 Ų1620.1 Ų20.18%0.07910%0.1CC..Hα-helixtrans-67.3-43.4176.2-68.2175.6-165.900111L884 T885 A886 W891 L892 Q997 R998 F1001L884-M888 HydrophobicContact CB-CB 4.29Å; L884-M888 HydrophobicContact CD2-CB 4.38Å; L884-M888 HydrophobicContact CD2-SD 4.19Å; T885-M888 WeakPolarHBondContact O-CB 3.08Å; T885-M888 PolarHBondContact O-N 2.78Å; T885-M888 WeakPolarHBondContact OG1-CE 3.4Å; T885-M888 VanDerWaalsContact OG1-CG 3.27Å; T885-M888 WeakPolarHBondContact OG1-CG 3.36Å; T885-M888 PolarHBondContact OG1-SD 2.97Å; T885-M888 VanDerWaalsContact OG1-SD 3.36Å; A886-M888 PolarHBondContact O-N 3.18Å; M888-W891 PolarHBondContact O-N 3.5Å; M888-L892 WeakPolarHBondContact O-CB 3.31Å; M888-L892 PolarHBondContact O-N 2.66Å; M888-Q997 HydrophobicContact CE-CB 4.14Å; M888-Q997 HydrophobicContact SD-CB 4.31Å; M888-R998 HydrophobicContact CE-CG 3.75Å; M888-F1001 HydrophobicContact CB-CD2 3.76Å; M888-F1001 HydrophobicContact CB-CE2 3.83Å; M888-F1001 HydrophobicContact CB-CG 4.2Å; M888-F1001 HydrophobicContact CB-CZ 4.34Å; M888-F1001 HydrophobicContact CG-CD1 4.29Å; M888-F1001 HydrophobicContact CG-CD2 4.15Å; M888-F1001 HydrophobicContact CG-CE1 4.49Å; M888-F1001 HydrophobicContact CG-CE2 4.33Å; M888-F1001 HydrophobicContact CG-CG 4.09Å; M888-F1001 HydrophobicContact CG-CZ 4.45Å; M888-F1001 WeakPolarHBondContact O-CE2 3.36Å; M888-F1001 HydrophobicContact SD-CB 3.88Å; M888-F1001 HydrophobicContact SD-CG 4.1Å
889V90Very high85Confident0 Ų017.6 Ų17.60%09%0.094CC..Hα-helixtrans-62.2-44.8175.7174.60000110.7I285 L288 P289 I868 L884 T885 A886 L892 L893I285-V889 HydrophobicContact CG2-CG2 3.96Å; L288-V889 HydrophobicContact CD2-CG1 4.39Å; P289-V889 HydrophobicContact CG-CG1 3.92Å; I868-V889 HydrophobicContact CG2-CG1 4.37Å; I868-V889 HydrophobicContact CG2-CG2 4.48Å; L884-V889 HydrophobicContact CB-CG2 3.7Å; L884-V889 HydrophobicContact CD1-CG2 4.2Å; T885-V889 PolarHBondContact O-N 3.3Å; A886-V889 PolarHBondContact O-N 3.23Å; V889-L892 PolarHBondContact O-N 2.76Å; V889-L893 HydrophobicContact CG1-CD1 3.72Å; V889-L893 HydrophobicContact CG1-CG 4.36Å; V889-L893 VanDerWaalsContact O-CG 3.3Å; V889-L893 WeakPolarHBondContact O-CG 3.18Å; V889-L893 PolarHBondContact O-N 2.58Å
890L87.4Confident85.7Confident2 Ų216.9 Ų16.91%0.019%0.088CC..Hα-helixtrans-60.9-45175.5-84.4157000112.4A78 L82 L85 L288 F292 A886 N887 L892 L893 S894A78-L890 HydrophobicContact CB-CD1 3.52Å; A78-L890 VanDerWaalsContact O-CD1 3.31Å; A78-L890 WeakPolarHBondContact O-CD1 3.4Å; L82-L890 HydrophobicContact CB-CD1 4.36Å; L82-L890 HydrophobicContact CB-CD2 4.04Å; L82-L890 HydrophobicContact CD1-CD2 3.98Å; L82-L890 HydrophobicContact CG-CD2 4.48Å; L85-L890 HydrophobicContact CD1-CD2 4.46Å; L288-L890 HydrophobicContact CD2-CD1 4.47Å; L288-L890 HydrophobicContact CD2-CD2 4.15Å; L288-L890 HydrophobicContact CD2-CG 3.94Å; F292-L890 HydrophobicContact CE2-CD2 4.13Å; A886-L890 WeakPolarHBondContact O-CB 3.36Å; A886-L890 PolarHBondContact O-N 3.35Å; N887-L890 PolarHBondContact O-N 2.78Å; L890-L892 VanDerWaalsContact C-N 3.27Å; L890-L892 PolarHBondContact O-N 2.55Å; L890-L893 PolarHBondContact O-N 3.31Å; L890-S894 WeakPolarHBondContact O-CB 3.36Å; L890-S894 PolarHBondContact O-N 3.37Å; L890-S894 PolarHBondContact O-OG 3.16Å
891W87.1Confident86.2Confident90 Ų9016.6 Ų16.634%0.3419%0.086SC..Hα-helixtrans-60.3-39.1175.3-179.9-98.4000112.1N887 M888 G895 V896 F1001 I1043N887-W891 WeakPolarHBondContact O-CB 3.33Å; N887-W891 PolarHBondContact O-N 2.72Å; M888-W891 PolarHBondContact O-N 3.5Å; W891-G895 CarbonylContact O-C 3.49Å; W891-G895 WeakPolarHBondContact O-CA 3.41Å; W891-G895 PolarHBondContact O-N 2.83Å; W891-V896 PolarHBondContact O-N 3.03Å; W891-F1001 HydrophobicContact CB-CZ 4.2Å; W891-F1001 AromaticContact CD1-CZ 3.4Å; W891-F1001 HydrophobicContact CG-CZ 4.06Å; W891-I1043 HydrophobicContact CZ2-CG2 3.88Å
892L89.4Confident86.5Confident0 Ų016.7 Ų16.70%09%0.088CC..Iπ-helixtrans-65.7-41.6178.3-136.5143.3000111.3V864 I868 M888 V889 L890 L897 F1001 F1004 V1005V864-L892 HydrophobicContact CG1-CD2 4.43Å; I868-L892 HydrophobicContact CD1-CD2 3.82Å; I868-L892 HydrophobicContact CG1-CD2 4.5Å; M888-L892 WeakPolarHBondContact O-CB 3.31Å; M888-L892 PolarHBondContact O-N 2.66Å; V889-L892 PolarHBondContact O-N 2.76Å; L890-L892 VanDerWaalsContact C-N 3.27Å; L890-L892 PolarHBondContact O-N 2.55Å; L892-L897 WeakPolarHBondContact O-CB 3.39Å; L892-L897 PolarHBondContact O-N 3.38Å; L892-F1001 HydrophobicContact CD1-CD2 4.01Å; L892-F1001 HydrophobicContact CD1-CE2 3.96Å; L892-F1004 HydrophobicContact CD1-CB 3.92Å; L892-F1004 HydrophobicContact CD1-CD1 4.27Å; L892-F1004 HydrophobicContact CD1-CG 4.32Å; L892-V1005 HydrophobicContact CD1-CG2 4.26Å
893L87.5Confident86.7Confident0 Ų013.6 Ų13.60%08%0.077CC..Iπ-helixtrans-77.5-34.7-179.1-66.8170.9000113.9L288 P289 F292 I868 V889 L890 L897 P898L288-L893 HydrophobicContact CG-CD1 4.38Å; P289-L893 HydrophobicContact CB-CD1 4.1Å; P289-L893 HydrophobicContact CB-CD2 4.11Å; P289-L893 HydrophobicContact CG-CD1 4.15Å; F292-L893 HydrophobicContact CB-CD1 4.08Å; F292-L893 HydrophobicContact CB-CD2 4.39Å; F292-L893 HydrophobicContact CD1-CB 3.9Å; F292-L893 HydrophobicContact CD2-CB 3.93Å; F292-L893 HydrophobicContact CD2-CD1 3.9Å; F292-L893 HydrophobicContact CE1-CB 3.85Å; F292-L893 WeakPolarHBondContact CE1-O 3.06Å; F292-L893 HydrophobicContact CE2-CB 3.98Å; F292-L893 HydrophobicContact CG-CB 3.88Å; F292-L893 HydrophobicContact CG-CD1 4.03Å; F292-L893 HydrophobicContact CG-CG 4.38Å; F292-L893 HydrophobicContact CZ-CB 3.93Å; I868-L893 HydrophobicContact CD1-CD2 3.93Å; I868-L893 HydrophobicContact CD1-CG 4.44Å; V889-L893 HydrophobicContact CG1-CD1 3.72Å; V889-L893 HydrophobicContact CG1-CG 4.36Å; V889-L893 VanDerWaalsContact O-CG 3.3Å; V889-L893 WeakPolarHBondContact O-CG 3.18Å; V889-L893 PolarHBondContact O-N 2.58Å; L890-L893 PolarHBondContact O-N 3.31Å; L893-L897 HydrophobicContact CD2-CD2 4.44Å; L893-P898 WeakPolarHBondContact O-CD 3.46Å; L893-P898 WeakPolarHBondContact O-CG 3.26Å
894S84.7Confident86.6Confident17 Ų1713.7 Ų13.712%0.1198%0.077CC..Iπ-helixtrans-104.7-33.4-174.879.50000114.3W81 L890 P898W81-S894 PolarHBondContact NE1-OG 2.61Å; L890-S894 WeakPolarHBondContact O-CB 3.36Å; L890-S894 PolarHBondContact O-N 3.37Å; L890-S894 PolarHBondContact O-OG 3.16Å; S894-P898 WeakPolarHBondContact O-CG 3.49Å
895G83.2Confident86Confident18 Ų1814.5 Ų14.519%0.1868%0.084CC..Iπ-helixtrans-101.4-32.9-173.700000114.5W891 P899W891-G895 CarbonylContact O-C 3.49Å; W891-G895 WeakPolarHBondContact O-CA 3.41Å; W891-G895 PolarHBondContact O-N 2.83Å; G895-P899 WeakPolarHBondContact O-CD 3.47Å; G895-P899 WeakPolarHBondContact O-CG 3.25Å
896V89Confident85.5Confident2 Ų218.9 Ų18.91%0.01211%0.107CC..Iπ-helixtrans-101-54.7-176.3175.70000112.1W891 P899 L900 V1005 V1040W891-V896 PolarHBondContact O-N 3.03Å; V896-P899 WeakPolarHBondContact O-CD 3.15Å; V896-L900 HydrophobicContact CG1-CD1 3.95Å; V896-L900 WeakPolarHBondContact O-CG 3.4Å; V896-L900 PolarHBondContact O-N 2.99Å; V896-V1005 HydrophobicContact CG1-CG1 4.22Å; V896-V1005 HydrophobicContact CG2-CG2 4.2Å; V896-V1040 HydrophobicContact CG1-CG1 3.86Å; V896-V1040 HydrophobicContact CG2-CG1 4.32Å
897L88.7Confident85.1Confident0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-64.4-42.5-172.6-172.659.7000113.1F860 F861 V864 L892 L893 L900 C901 T1008F860-L897 HydrophobicContact CD1-CD1 4.1Å; F860-L897 HydrophobicContact CE1-CD1 3.62Å; F860-L897 HydrophobicContact CZ-CD1 4.31Å; F861-L897 HydrophobicContact CD1-CD2 4.43Å; F861-L897 HydrophobicContact CD2-CD2 3.49Å; F861-L897 VanDerWaalsContact CD2-CD2 3.49Å; F861-L897 HydrophobicContact CD2-CG 3.58Å; F861-L897 HydrophobicContact CE1-CD2 4.37Å; F861-L897 HydrophobicContact CE2-CB 4.36Å; F861-L897 HydrophobicContact CE2-CD2 3.44Å; F861-L897 VanDerWaalsContact CE2-CD2 3.44Å; F861-L897 HydrophobicContact CE2-CG 3.71Å; F861-L897 HydrophobicContact CG-CD2 3.97Å; F861-L897 HydrophobicContact CG-CG 4.39Å; F861-L897 HydrophobicContact CZ-CD2 3.87Å; V864-L897 HydrophobicContact CB-CD1 3.9Å; V864-L897 HydrophobicContact CB-CD2 4.17Å; V864-L897 HydrophobicContact CG1-CD1 4Å; V864-L897 HydrophobicContact CG1-CD2 4.18Å; V864-L897 HydrophobicContact CG2-CD1 4.07Å; L892-L897 WeakPolarHBondContact O-CB 3.39Å; L892-L897 PolarHBondContact O-N 3.38Å; L893-L897 HydrophobicContact CD2-CD2 4.44Å; L897-L900 PolarHBondContact O-N 2.87Å; L897-C901 WeakPolarHBondContact O-CB 3.49Å; L897-C901 PolarHBondContact O-N 3.24Å; L897-C901 PolarHBondContact O-SG 2.78Å; L897-T1008 HydrophobicContact CD1-CG2 4.45Å
898P85.6Confident84.4Confident10 Ų1019.9 Ų19.97%0.06512%0.117CC..Hα-helixtrans-68.7-44.1-176.9-18.232000114.6F298 L893 S894 L900 C901 A902F298-P898 HydrophobicContact CD1-CB 3.28Å; F298-P898 HydrophobicContact CD1-CG 3.27Å; F298-P898 HydrophobicContact CE1-CB 3.68Å; F298-P898 HydrophobicContact CE1-CG 3.26Å; F298-P898 HydrophobicContact CG-CB 4.22Å; F298-P898 HydrophobicContact CG-CG 4.09Å; F298-P898 HydrophobicContact CZ-CG 4.12Å; L893-P898 WeakPolarHBondContact O-CD 3.46Å; L893-P898 WeakPolarHBondContact O-CG 3.26Å; S894-P898 WeakPolarHBondContact O-CG 3.49Å; P898-L900 VanDerWaalsContact C-N 3.27Å; P898-L900 PolarHBondContact O-N 2.51Å; P898-C901 CarbonylContact O-C 3.59Å; P898-C901 PolarHBondContact O-N 2.72Å; P898-A902 WeakPolarHBondContact O-CB 3.17Å; P898-A902 PolarHBondContact O-N 3.47Å
899P86.5Confident83.2Confident45 Ų4523.9 Ų23.929%0.29214%0.137SC..Hα-helixtrans-59.7-35.4171.6-27.136.9000113.2G895 V896 A902 T903 V1036G895-P899 WeakPolarHBondContact O-CD 3.47Å; G895-P899 WeakPolarHBondContact O-CG 3.25Å; V896-P899 WeakPolarHBondContact O-CD 3.15Å; P899-A902 WeakPolarHBondContact O-CB 3.1Å; P899-A902 PolarHBondContact O-N 3.18Å; P899-T903 WeakPolarHBondContact O-CG2 2.99Å; P899-T903 PolarHBondContact O-N 2.83Å; P899-V1036 HydrophobicContact CB-CG1 3.59Å
900L89Confident82Confident0 Ų026.5 Ų26.50%015%0.15CC..Hα-helixtrans-66.7-46.7173.6-69.1173.8000111.1F860 V896 L897 P898 A902 T903 L904 T1008 V1009F860-L900 HydrophobicContact CE1-CB 4.45Å; V896-L900 HydrophobicContact CG1-CD1 3.95Å; V896-L900 WeakPolarHBondContact O-CG 3.4Å; V896-L900 PolarHBondContact O-N 2.99Å; L897-L900 PolarHBondContact O-N 2.87Å; P898-L900 VanDerWaalsContact C-N 3.27Å; P898-L900 PolarHBondContact O-N 2.51Å; L900-A902 PolarHBondContact O-N 3.07Å; L900-T903 PolarHBondContact O-N 3.35Å; L900-T903 PolarHBondContact O-OG1 3.39Å; L900-L904 WeakPolarHBondContact O-CG 3.25Å; L900-L904 PolarHBondContact O-N 3.11Å; L900-T1008 HydrophobicContact CD1-CG2 4.15Å; L900-V1009 HydrophobicContact CD1-CG2 4.03Å; L900-V1009 HydrophobicContact CD2-CG2 4.4Å
901C87.3Confident80.5Confident4 Ų432.1 Ų32.13%0.02719%0.186CC..Hα-helixtrans-59.2-33.1175.6-67.80000112.4S857 L897 P898 T903 L904 A905S857-C901 WeakPolarHBondContact OG-CA 3.48Å; S857-C901 VanDerWaalsContact OG-CB 3.25Å; S857-C901 WeakPolarHBondContact OG-CB 3.49Å; S857-C901 PolarHBondContact OG-O 3.25Å; L897-C901 WeakPolarHBondContact O-CB 3.49Å; L897-C901 PolarHBondContact O-N 3.24Å; L897-C901 PolarHBondContact O-SG 2.78Å; P898-C901 CarbonylContact O-C 3.59Å; P898-C901 PolarHBondContact O-N 2.72Å; C901-T903 PolarHBondContact O-N 2.64Å; C901-L904 PolarHBondContact O-N 2.88Å; C901-A905 PolarHBondContact O-N 2.95Å
902A82.6Confident79.1Confident13 Ų1330 Ų3011%0.10719%0.193CC..Hα-helixtrans-53.7-53.1172.900000112.5F302 P898 P899 L900 L904 A905 L906F302-A902 HydrophobicContact CD1-CB 4.11Å; F302-A902 HydrophobicContact CE1-CB 3.06Å; F302-A902 HydrophobicContact CE2-CB 3.96Å; F302-A902 HydrophobicContact CZ-CB 2.97Å; P898-A902 WeakPolarHBondContact O-CB 3.17Å; P898-A902 PolarHBondContact O-N 3.47Å; P899-A902 WeakPolarHBondContact O-CB 3.1Å; P899-A902 PolarHBondContact O-N 3.18Å; L900-A902 PolarHBondContact O-N 3.07Å; A902-L904 VanDerWaalsContact C-N 3.26Å; A902-L904 PolarHBondContact O-N 3.37Å; A902-A905 WeakPolarHBondContact O-CB 3.26Å; A902-A905 PolarHBondContact O-N 3.4Å; A902-A905 VanDerWaalsContact O-N 3.13Å; A902-L906 WeakPolarHBondContact O-CG 3.1Å; A902-L906 PolarHBondContact O-N 3.01Å
903T85.8Confident77.4Confident3 Ų331.3 Ų31.32%0.01821%0.206CC..Hα-helixtrans-69.6-28.8-175.661.90000111.9P899 L900 C901 S907 V1036P899-T903 WeakPolarHBondContact O-CG2 2.99Å; P899-T903 PolarHBondContact O-N 2.83Å; L900-T903 PolarHBondContact O-N 3.35Å; L900-T903 PolarHBondContact O-OG1 3.39Å; C901-T903 PolarHBondContact O-N 2.64Å; T903-S907 PolarHBondContact O-N 2.74Å; T903-S907 PolarHBondContact O-OG 3.12Å; T903-S907 VanDerWaalsContact O-OG 3.07Å; T903-V1036 HydrophobicContact CG2-CB 3.71Å; T903-V1036 HydrophobicContact CG2-CG1 4.2Å; T903-V1036 HydrophobicContact CG2-CG2 3.52Å
904L83.6Confident75.7Confident3 Ų333.9 Ų33.92%0.01622%0.222CC..Hα-helixtrans-69.6-39.6171.8-61179.3000111.3F860 L900 C901 A902 S907 H1015 V1016F860-L904 HydrophobicContact CB-CD1 4.11Å; F860-L904 HydrophobicContact CD1-CD1 3.57Å; F860-L904 HydrophobicContact CE1-CD1 4.17Å; F860-L904 HydrophobicContact CG-CD1 3.89Å; L900-L904 WeakPolarHBondContact O-CG 3.25Å; L900-L904 PolarHBondContact O-N 3.11Å; C901-L904 PolarHBondContact O-N 2.88Å; A902-L904 VanDerWaalsContact C-N 3.26Å; A902-L904 PolarHBondContact O-N 3.37Å; L904-S907 WeakPolarHBondContact O-CB 3.41Å; L904-S907 PolarHBondContact O-N 3.26Å; L904-S907 PolarHBondContact O-OG 3.35Å; L904-S907 VanDerWaalsContact O-OG 3.11Å; L904-H1015 HydrophobicContact CD1-CB 3.91Å; L904-H1015 HydrophobicContact CD2-CB 3.86Å; L904-V1016 HydrophobicContact CD2-CB 4.42Å; L904-V1016 HydrophobicContact CD2-CG2 3.87Å
905A76.5Confident74.7Confident18 Ų1838.1 Ų38.115%0.14924%0.24CC..Hα-helixtrans-66.9-39.7176.500000112.1F302 T853 C901 A902 S907F302-A905 HydrophobicContact CB-CB 4.49Å; F302-A905 HydrophobicContact CD1-CB 4.36Å; F302-A905 HydrophobicContact CG-CB 4.27Å; T853-A905 WeakPolarHBondContact CB-O 3.41Å; T853-A905 PolarHBondContact OG1-O 2.87Å; C901-A905 PolarHBondContact O-N 2.95Å; A902-A905 WeakPolarHBondContact O-CB 3.26Å; A902-A905 PolarHBondContact O-N 3.4Å; A902-A905 VanDerWaalsContact O-N 3.13Å; A905-S907 PolarHBondContact O-N 3.26Å
906L74.6Confident73.9Confident102 Ų10238.7 Ų38.753%0.53424%0.238SC..THydrogen-bonded Turntrans-84.518.8178.8-63.3169.2000113.7A902A902-L906 WeakPolarHBondContact O-CG 3.1Å; A902-L906 PolarHBondContact O-N 3.01Å
907S75Confident73Confident11 Ų1138.8 Ų38.88%0.07724%0.239CC..PPolyproline II helixtrans-67.4141-178.9-74.40000111.6H849 T903 L904 A905H849-S907 PolarHBondContact NE2-O 3.34Å; T903-S907 PolarHBondContact O-N 2.74Å; T903-S907 PolarHBondContact O-OG 3.12Å; T903-S907 VanDerWaalsContact O-OG 3.07Å; L904-S907 WeakPolarHBondContact O-CB 3.41Å; L904-S907 PolarHBondContact O-N 3.26Å; L904-S907 PolarHBondContact O-OG 3.35Å; L904-S907 VanDerWaalsContact O-OG 3.11Å; A905-S907 PolarHBondContact O-N 3.26Å
908P69.6Low71.8Confident64 Ų6439.7 Ų39.742%0.41625%0.245SC..PPolyproline II helixtrans-65149-17225.3-34.2000112.9H849 H910 F1017H849-P908 PolarHBondContact CE1-O 3.14Å; P908-H910 PolarHBondContact O-N 3.06Å; P908-F1017 HydrophobicContact CG-CE1 4.26Å
909L64.2Low70.7Confident99 Ų9942.9 Ų42.952%0.51826%0.258SS..PPolyproline II helixtrans-56.9130.4-177.5-133.195.2000111.6L846 H849L846-L909 HydrophobicContact CD1-CD1 3.61Å; H849-L909 HydrophobicContact CB-CD1 3.81Å; H849-L909 HydrophobicContact CB-CG 4.19Å; H849-L909 VanDerWaalsContact CD2-CD1 3.41Å; H849-L909 WeakPolarHBondContact CD2-CD1 3.49Å
910H64Low69.8Low55 Ų5545.4 Ų45.426%0.25526%0.264SS..PPolyproline II helixtrans-85.3129.4176.1-156.4-55.1000109.8P908 G912 G913 E1020P908-H910 PolarHBondContact O-N 3.06Å; H910-G912 PolarHBondContact O-N 3.31Å; H910-G913 PolarHBondContact O-N 2.7Å; H910-G913 VanDerWaalsContact O-N 3.1Å; H910-E1020 IonicContact NE2-OE1 3.95Å
911P56.6Low68.6Low120 Ų12046.8 Ų46.878%0.77927%0.272SS*.THydrogen-bonded Turntrans-65.2-1.3-178.522.1-32.7000115.5
912G56.9Low67.5Low46 Ų4651.5 Ų51.547%0.47429%0.292SS..THydrogen-bonded Turntrans-118.114.9177.900000113.5H910 T914H910-G912 PolarHBondContact O-N 3.31Å; G912-T914 PolarHBondContact O-N 2.83Å
913G53.9Low66.4Low28 Ų2855.4 Ų55.429%0.28932%0.318SS..G310 helixtrans-66.7-17.7-178.400000114.4H910 E915 L916H910-G913 PolarHBondContact O-N 2.7Å; H910-G913 VanDerWaalsContact O-N 3.1Å; G913-E915 VanDerWaalsContact C-N 3.31Å; G913-E915 PolarHBondContact O-N 2.97Å; G913-L916 WeakPolarHBondContact O-CB 3.25Å; G913-L916 PolarHBondContact O-N 3.5Å
914T53.3Low65.4Low54 Ų5465 Ų6533%0.33135%0.354SS..G310 helixtrans-62.7-35.6-175.958.80000112.6S633 D845 R848 G912 L916S633-T914 WeakPolarHBondContact CA-O 2.95Å; S633-T914 PolarHBondContact OG-O 3.16Å; D845-T914 VanDerWaalsContact OD2-CG2 3.25Å; D845-T914 WeakPolarHBondContact OD2-CG2 3.36Å; R848-T914 PolarHBondContact NH1-O 3.27Å; R848-T914 VanDerWaalsContact NH1-O 3.13Å; G912-T914 PolarHBondContact O-N 2.83Å; T914-L916 VanDerWaalsContact C-N 3.32Å; T914-L916 PolarHBondContact O-N 3.44Å
915E63.4Low64.6Low105 Ų10567.4 Ų67.449%0.49137%0.366SS..G310 helixtrans-86.16.5-176.5-58.1-167.8-179.200114.7G913 V917 R1090G913-E915 VanDerWaalsContact C-N 3.31Å; G913-E915 PolarHBondContact O-N 2.97Å; E915-V917 PolarHBondContact O-N 2.95Å; E915-V917 VanDerWaalsContact O-N 3.14Å; E915-R1090 IonicContact OE2-CZ 2.71Å; E915-R1090 IonicContact OE2-NH1 3.65Å; E915-R1090 PolarHBondContact OE2-NH1 2.86Å
916L66.7Low64.2Low30 Ų3067.6 Ų67.616%0.15737%0.371CS..  trans-71.7112.7-175.2-169.374.2000111.5L852 G913 T914 T918 Y1019 F1082L852-L916 HydrophobicContact CD1-CD2 4.46Å; L852-L916 HydrophobicContact CD2-CD2 4.18Å; G913-L916 WeakPolarHBondContact O-CB 3.25Å; G913-L916 PolarHBondContact O-N 3.5Å; T914-L916 VanDerWaalsContact C-N 3.32Å; T914-L916 PolarHBondContact O-N 3.44Å; L916-T918 PolarHBondContact O-N 3.42Å; L916-Y1019 WeakPolarHBondContact CD1-OH 3.23Å; L916-F1082 HydrophobicContact CD1-CE2 4.09Å; L916-F1082 HydrophobicContact CD1-CZ 3.47Å; L916-F1082 VanDerWaalsContact CD1-CZ 3.47Å
917V68.4Low64.2Low4 Ų471.5 Ų71.52%0.02438%0.383CS..PPolyproline II helixtrans-73.9122.4-179.7-164.80000110.8C634 E915 R1089 R1090C634-V917 HydrophobicContact CB-CB 4.47Å; C634-V917 HydrophobicContact CB-CG1 4.03Å; C634-V917 HydrophobicContact CB-CG2 4.26Å; E915-V917 PolarHBondContact O-N 2.95Å; E915-V917 VanDerWaalsContact O-N 3.14Å; V917-R1089 HydrophobicContact CB-CB 3.85Å; V917-R1089 HydrophobicContact CG1-CB 3.68Å; V917-R1089 HydrophobicContact CG2-CB 4.31Å; V917-R1090 HydrophobicContact CG2-CB 4.09Å
918T64Low64.3Low19 Ų1978.8 Ų78.812%0.11741%0.414CS..PPolyproline II helixtrans-81.7150.6-175.156.20000112.3T317 K318 L916T317-T918 HydrophobicContact CG2-CG2 3.48Å; T317-T918 VanDerWaalsContact CG2-CG2 3.48Å; K318-T918 WeakPolarHBondContact CE-O 3.49Å; K318-T918 WeakPolarHBondContact CE-OG1 2.92Å; K318-T918 PolarHBondContact NZ-O 2.9Å; L916-T918 PolarHBondContact O-N 3.42Å
919F63.4Low64.6Low77 Ų7778.5 Ų78.534%0.33841%0.407SS..PPolyproline II helixtrans-76146.4-175.8-62.7-101.6000110.6R855 R1089R855-F919 VanDerWaalsContact NH1-CD2 3.32Å; R855-F919 VanDerWaalsContact NH1-CZ 3.33Å; F919-R1089 VanDerWaalsContact CE1-NH1 3.32Å
920K66.4Low65.3Low98 Ų9876.1 Ų76.143%0.42640%0.396SS..PPolyproline II helixtrans-70.6142163.2-67.8-161.3-176.4-150.10108.7G767 E768 K922G767-K920 CarbonylContact O-C 3.59Å; G767-K920 WeakPolarHBondContact O-CA 2.91Å; G767-K920 WeakPolarHBondContact O-CB 3.46Å; E768-K920 VanDerWaalsContact OE1-CE 3.28Å; E768-K920 WeakPolarHBondContact OE1-CE 3.27Å; E768-K920 IonicContact OE1-NZ 3.66Å; E768-K920 PolarHBondContact OE1-NZ 3.31Å; K920-K922 PolarHBondContact O-N 2.88Å; K920-K922 VanDerWaalsContact O-N 3.11Å
921N64.4Low66.2Low30 Ų3079.8 Ų79.816%0.1641%0.413CS..  trans-7599.2-179.9-166.7-8.1000109.7K235 G767 V769K235-N921 WeakPolarHBondContact CD-OD1 3.48Å; K235-N921 VanDerWaalsContact CE-OD1 3.23Å; K235-N921 WeakPolarHBondContact CE-OD1 3.49Å; K235-N921 PolarHBondContact NZ-OD1 3.43Å; G767-N921 WeakPolarHBondContact CA-O 3.46Å; G767-N921 PolarHBondContact O-N 2.87Å; V769-N921 HydrophobicContact CG2-CB 3.7Å
922K63.9Low67.3Low103 Ų10376.6 Ų76.645%0.44839%0.389SS..  trans-85.7136.8178.5-66-179.8-177.41690110.3K235 K920 R924 E929K235-K922 VanDerWaalsContact CE-O 3.24Å; K235-K922 WeakPolarHBondContact CE-O 3.25Å; K920-K922 PolarHBondContact O-N 2.88Å; K920-K922 VanDerWaalsContact O-N 3.11Å; K922-R924 WeakPolarHBondContact CB-O 3.26Å; K922-R924 PolarHBondContact O-N 2.87Å; K922-E929 IonicContact NZ-OE1 3.79Å; K922-E929 PolarHBondContact NZ-OE1 3.42Å
923S60.6Low68.4Low95 Ų9576.3 Ų76.366%0.66438%0.383SS*.SBendtrans-70.3-21.3170.857.30000112.9
924R64.3Low69.9Low204 Ų20478.5 Ų78.577%0.7739%0.392SS*.SBendtrans-136.1144.3-179.8-65-175.1-177.9-177.51.5111.5K922 G926K922-R924 WeakPolarHBondContact CB-O 3.26Å; K922-R924 PolarHBondContact O-N 2.87Å; R924-G926 PolarHBondContact O-N 2.91Å
925L66Low71.5Confident53 Ų5377.2 Ų77.228%0.27739%0.39SS..  trans-69.7120.9177.1-147.974.2000107.6L239 I240 E929 V930L239-L925 HydrophobicContact CD1-CB 4.26Å; L239-L925 HydrophobicContact CD2-CB 3.78Å; L239-L925 HydrophobicContact CD2-CD1 3.27Å; L239-L925 HydrophobicContact CD2-CG 4.11Å; L239-L925 HydrophobicContact CG-CB 3.86Å; L239-L925 HydrophobicContact CG-CD1 3.77Å; L239-L925 HydrophobicContact CG-CG 4.36Å; I240-L925 HydrophobicContact CG1-CD1 4.35Å; L925-E929 HydrophobicContact CG-CB 4.44Å; L925-V930 HydrophobicContact CB-CG2 4.47Å; L925-V930 HydrophobicContact CD2-CG2 3.5Å; L925-V930 HydrophobicContact CG-CG2 4.11Å
926G68.7Low72.4Confident23 Ų2373.2 Ų73.224%0.23737%0.373CS..  trans-68.2142.4-179.100000110.5R924 K928 E929 V930R924-G926 PolarHBondContact O-N 2.91Å; G926-K928 PolarHBondContact O-N 2.52Å; G926-E929 PolarHBondContact N-OE2 3.18Å; G926-E929 WeakPolarHBondContact O-CB 2.95Å; G926-E929 PolarHBondContact O-N 2.8Å; G926-V930 PolarHBondContact O-N 3.3Å
927K75.2Confident73.4Confident183 Ų18373.6 Ų73.680%0.79637%0.373SS*.Hα-helixtrans-49-38173.8-70-176.1179.1179.70112.2V930 Q931K927-V930 PolarHBondContact O-N 2.84Å; K927-Q931 WeakPolarHBondContact O-CB 3.31Å; K927-Q931 VanDerWaalsContact O-CG 3.24Å; K927-Q931 WeakPolarHBondContact O-CG 3.15Å; K927-Q931 PolarHBondContact O-N 3.44Å
928K76.9Confident74.4Confident165 Ų16576 Ų7672%0.71739%0.394SS*.Hα-helixtrans-60.2-45.7175.7-71.4-177.5179.6173.50112.2G926 Q931 I932G926-K928 PolarHBondContact O-N 2.52Å; K928-Q931 CarbonylContact O-C 3.51Å; K928-Q931 WeakPolarHBondContact O-CB 3.33Å; K928-Q931 PolarHBondContact O-N 3.37Å; K928-I932 WeakPolarHBondContact O-CG1 3.41Å; K928-I932 PolarHBondContact O-N 2.83Å
929E75.4Confident75.4Confident58 Ų5879.2 Ų79.227%0.27141%0.413SS..Hα-helixtrans-64-42.3-179.3-72.9153.8-174.500111.7K922 L925 G926 I932 A933K922-E929 IonicContact NZ-OE1 3.79Å; K922-E929 PolarHBondContact NZ-OE1 3.42Å; L925-E929 HydrophobicContact CG-CB 4.44Å; G926-E929 PolarHBondContact N-OE2 3.18Å; G926-E929 WeakPolarHBondContact O-CB 2.95Å; G926-E929 PolarHBondContact O-N 2.8Å; E929-I932 WeakPolarHBondContact O-CB 3.47Å; E929-I932 PolarHBondContact O-N 3.37Å; E929-A933 PolarHBondContact O-N 3.4Å
930V78.8Confident76.4Confident49 Ų4975.7 Ų75.730%0.29740%0.398SS..Hα-helixtrans-60.4-47.1172.4178.70000110.4L925 G926 K927 I932 A933 C934L925-V930 HydrophobicContact CB-CG2 4.47Å; L925-V930 HydrophobicContact CD2-CG2 3.5Å; L925-V930 HydrophobicContact CG-CG2 4.11Å; G926-V930 PolarHBondContact O-N 3.3Å; K927-V930 PolarHBondContact O-N 2.84Å; V930-I932 VanDerWaalsContact C-N 3.27Å; V930-I932 PolarHBondContact O-N 2.94Å; V930-A933 PolarHBondContact O-N 3.14Å; V930-C934 WeakPolarHBondContact O-CB 3.36Å; V930-C934 PolarHBondContact O-N 3.09Å; V930-C934 PolarHBondContact O-SG 3.39Å
931Q83.5Confident77.5Confident131 Ų13171 Ų7161%0.61238%0.378SS*.Hα-helixtrans-61.1-35.5176.1-72.6170.7-1100112.5K927 K928 G935K927-Q931 WeakPolarHBondContact O-CB 3.31Å; K927-Q931 VanDerWaalsContact O-CG 3.24Å; K927-Q931 WeakPolarHBondContact O-CG 3.15Å; K927-Q931 PolarHBondContact O-N 3.44Å; K928-Q931 CarbonylContact O-C 3.51Å; K928-Q931 WeakPolarHBondContact O-CB 3.33Å; K928-Q931 PolarHBondContact O-N 3.37Å; Q931-G935 PolarHBondContact O-N 2.93Å
932I79.2Confident78.6Confident53 Ų5371 Ų7127%0.27238%0.381SS..Hα-helixtrans-61.5-53.8173.2-53.1-144.2000109.4K928 E929 V930 G935 T936 R1081K928-I932 WeakPolarHBondContact O-CG1 3.41Å; K928-I932 PolarHBondContact O-N 2.83Å; E929-I932 WeakPolarHBondContact O-CB 3.47Å; E929-I932 PolarHBondContact O-N 3.37Å; V930-I932 VanDerWaalsContact C-N 3.27Å; V930-I932 PolarHBondContact O-N 2.94Å; I932-G935 PolarHBondContact O-N 2.67Å; I932-T936 PolarHBondContact O-N 3.26Å; I932-T936 PolarHBondContact O-OG1 3.32Å; I932-R1081 VanDerWaalsContact CG2-CZ 3.5Å
933A79.9Confident79.8Confident41 Ų4168.6 Ų68.634%0.33938%0.376SS..Hα-helixtrans-62-48.3-177.200000111.8Y859 E929 V930 G935 T936 F937Y859-A933 HydrophobicContact CE2-CB 4.46Å; E929-A933 PolarHBondContact O-N 3.4Å; V930-A933 PolarHBondContact O-N 3.14Å; A933-G935 VanDerWaalsContact C-N 3.32Å; A933-G935 PolarHBondContact O-N 3.29Å; A933-T936 PolarHBondContact O-N 2.82Å; A933-F937 WeakPolarHBondContact O-CB 3.38Å; A933-F937 PolarHBondContact O-N 3.29Å
934C85Confident80.9Confident73 Ų7364.4 Ų64.449%0.49335%0.346SS..Hα-helixtrans-60.9-41.5175.6-66.70000111.8V930 F937 A938V930-C934 WeakPolarHBondContact O-CB 3.36Å; V930-C934 PolarHBondContact O-N 3.09Å; V930-C934 PolarHBondContact O-SG 3.39Å; C934-F937 PolarHBondContact O-N 3.09Å; C934-A938 VanDerWaalsContact O-CB 3.28Å; C934-A938 WeakPolarHBondContact O-CB 3.18Å; C934-A938 PolarHBondContact O-N 3.43Å
935G86.5Confident82Confident27 Ų2754.7 Ų54.728%0.27831%0.31SS..Hα-helixtrans-60.7-48.2175.300000111.8Q931 I932 A933 F937 A938 T939Q931-G935 PolarHBondContact O-N 2.93Å; I932-G935 PolarHBondContact O-N 2.67Å; A933-G935 VanDerWaalsContact C-N 3.32Å; A933-G935 PolarHBondContact O-N 3.29Å; G935-F937 PolarHBondContact O-N 3.01Å; G935-A938 PolarHBondContact O-N 2.74Å; G935-T939 WeakPolarHBondContact O-CG2 3.37Å; G935-T939 PolarHBondContact O-N 2.81Å; G935-T939 PolarHBondContact O-OG1 3.16Å
936T83Confident83.1Confident21 Ų2157.1 Ų57.113%0.12932%0.318CS..Hα-helixtrans-63.7-39.9177.8-55.30000111.8Y859 I932 A933 T939 K940Y859-T936 HydrophobicContact CE1-CG2 4.42Å; Y859-T936 WeakPolarHBondContact OH-CB 3.13Å; Y859-T936 WeakPolarHBondContact OH-CG2 3.1Å; I932-T936 PolarHBondContact O-N 3.26Å; I932-T936 PolarHBondContact O-OG1 3.32Å; A933-T936 PolarHBondContact O-N 2.82Å; T936-T939 PolarHBondContact O-OG1 3.19Å; T936-K940 WeakPolarHBondContact O-CB 3.46Å; T936-K940 PolarHBondContact O-N 3.12Å
937F88.2Confident83.9Confident39 Ų3958.2 Ų58.217%0.17133%0.326CS..Iπ-helixtrans-61.1-48.9173.9-176.6-94.1000111.4S863 T866 V870 A933 C934 G935 T939 K940 F941 A942S863-F937 WeakPolarHBondContact O-CE2 3.39Å; T866-F937 WeakPolarHBondContact OG1-CE2 3.5Å; V870-F937 HydrophobicContact CG2-CE1 4.34Å; V870-F937 HydrophobicContact CG2-CZ 4.26Å; A933-F937 WeakPolarHBondContact O-CB 3.38Å; A933-F937 PolarHBondContact O-N 3.29Å; C934-F937 PolarHBondContact O-N 3.09Å; G935-F937 PolarHBondContact O-N 3.01Å; F937-T939 VanDerWaalsContact C-N 3.34Å; F937-T939 PolarHBondContact O-N 2.64Å; F937-K940 PolarHBondContact O-N 3.42Å; F937-F941 HydrophobicContact CD2-CB 3.7Å; F937-F941 HydrophobicContact CD2-CD2 4.19Å; F937-F941 HydrophobicContact CD2-CG 4.11Å; F937-F941 HydrophobicContact CE2-CB 3.67Å; F937-F941 HydrophobicContact CE2-CG 4.32Å; F937-F941 HydrophobicContact CG-CB 4.35Å; F937-F941 HydrophobicContact CZ-CB 4.33Å; F937-F941 PolarHBondContact O-N 3.42Å; F937-A942 HydrophobicContact CD1-CB 4.39Å; F937-A942 HydrophobicContact CE1-CB 4.18Å; F937-A942 PolarHBondContact O-N 2.82Å
938A88.3Confident84.4Confident55 Ų5549.6 Ų49.646%0.45529%0.288SS..Iπ-helixtrans-63.2-35.2-179.800000113.3C934 G935 P943C934-A938 VanDerWaalsContact O-CB 3.28Å; C934-A938 WeakPolarHBondContact O-CB 3.18Å; C934-A938 PolarHBondContact O-N 3.43Å; G935-A938 PolarHBondContact O-N 2.74Å; A938-P943 VanDerWaalsContact O-CD 3.28Å; A938-P943 WeakPolarHBondContact O-CD 3.25Å
939T85.1Confident85Confident86 Ų8641.9 Ų41.953%0.52825%0.254SS..Iπ-helixtrans-93.2-6.5-178.161.10000114.6G935 T936 F937 Y1070G935-T939 WeakPolarHBondContact O-CG2 3.37Å; G935-T939 PolarHBondContact O-N 2.81Å; G935-T939 PolarHBondContact O-OG1 3.16Å; T936-T939 PolarHBondContact O-OG1 3.19Å; F937-T939 VanDerWaalsContact C-N 3.34Å; F937-T939 PolarHBondContact O-N 2.64Å; T939-Y1070 PolarHBondContact O-OH 3.08Å
940K85.8Confident85.5Confident3 Ų342.9 Ų42.91%0.01326%0.261CS..Iπ-helixtrans-125.5-51.3-175.7-170.6178.4-177.5179.70112.4T936 F937 T944 L1011 S1014 H1015 Y1070 A1074 E1078T936-K940 WeakPolarHBondContact O-CB 3.46Å; T936-K940 PolarHBondContact O-N 3.12Å; F937-K940 PolarHBondContact O-N 3.42Å; K940-T944 PolarHBondContact O-OG1 3.02Å; K940-L1011 HydrophobicContact CG-CD2 4.45Å; K940-S1014 WeakPolarHBondContact CE-OG 3.37Å; K940-S1014 PolarHBondContact NZ-OG 2.84Å; K940-H1015 PolarHBondContact NZ-CE1 2.94Å; K940-H1015 VanDerWaalsContact NZ-CE1 3.27Å; K940-H1015 PolarHBondContact NZ-NE2 2.92Å; K940-Y1070 WeakPolarHBondContact CA-OH 3.4Å; K940-Y1070 PolarHBondContact N-OH 3.46Å; K940-Y1070 PolarHBondContact O-OH 2.75Å; K940-A1074 HydrophobicContact CB-CB 4.48Å; K940-A1074 HydrophobicContact CG-CB 4.39Å; K940-E1078 IonicContact NZ-OE2 2.77Å
941F89Confident85.7Confident0 Ų041.3 Ų41.30%025%0.251CS..Iπ-helixtrans-94.1-43.9-172.7-65.6-92.5000112.1Y859 F860 S863 V864 L867 F937 T944 G945 L1011 H1015Y859-F941 HydrophobicContact CE1-CE2 4.04Å; Y859-F941 HydrophobicContact CE1-CZ 4.5Å; F860-F941 HydrophobicContact CD2-CE1 4.23Å; F860-F941 HydrophobicContact CD2-CZ 4.34Å; F860-F941 HydrophobicContact CE2-CE1 4.41Å; S863-F941 VanDerWaalsContact CB-CE1 3.47Å; V864-F941 HydrophobicContact CG2-CE1 4.32Å; L867-F941 HydrophobicContact CD1-CB 4.32Å; L867-F941 WeakPolarHBondContact CD1-O 3.31Å; F937-F941 HydrophobicContact CD2-CB 3.7Å; F937-F941 HydrophobicContact CD2-CD2 4.19Å; F937-F941 HydrophobicContact CD2-CG 4.11Å; F937-F941 HydrophobicContact CE2-CB 3.67Å; F937-F941 HydrophobicContact CE2-CG 4.32Å; F937-F941 HydrophobicContact CG-CB 4.35Å; F937-F941 HydrophobicContact CZ-CB 4.33Å; F937-F941 PolarHBondContact O-N 3.42Å; F941-T944 WeakPolarHBondContact O-CB 3.49Å; F941-T944 PolarHBondContact O-N 2.92Å; F941-G945 PolarHBondContact O-N 3.5Å; F941-G945 VanDerWaalsContact O-N 3.09Å; F941-L1011 HydrophobicContact CD1-CD1 3.89Å; F941-L1011 HydrophobicContact CD1-CD2 4.21Å; F941-L1011 HydrophobicContact CE1-CD1 4.16Å; F941-L1011 HydrophobicContact CE1-CD2 4.25Å; F941-H1015 AromaticContact CZ-NE2 3.61Å
942A88.1Confident85.8Confident29 Ų2935.1 Ų35.124%0.2422%0.222CC..Hα-helixtrans-57.8-39.9-174.700000114F937 T944 G945 F946F937-A942 HydrophobicContact CD1-CB 4.39Å; F937-A942 HydrophobicContact CE1-CB 4.18Å; F937-A942 PolarHBondContact O-N 2.82Å; A942-T944 VanDerWaalsContact C-N 3.32Å; A942-T944 PolarHBondContact O-N 2.85Å; A942-G945 PolarHBondContact O-N 3.46Å; A942-G945 VanDerWaalsContact O-N 3.15Å; A942-F946 PolarHBondContact O-N 2.82Å
943P87.6Confident85.9Confident53 Ų5337.9 Ų37.934%0.34423%0.229SC..Hα-helixtrans-67.1-32.2177.2-29.443.7000113A938 G945 F946 A947 Y1070A938-P943 VanDerWaalsContact O-CD 3.28Å; A938-P943 WeakPolarHBondContact O-CD 3.25Å; P943-G945 VanDerWaalsContact C-N 3.35Å; P943-F946 PolarHBondContact O-N 3.18Å; P943-A947 VanDerWaalsContact O-CB 3.28Å; P943-A947 WeakPolarHBondContact O-CB 3.07Å; P943-A947 PolarHBondContact O-N 2.89Å; P943-Y1070 HydrophobicContact CB-CE1 4.39Å; P943-Y1070 HydrophobicContact CB-CE2 4.36Å; P943-Y1070 WeakPolarHBondContact CB-OH 3.22Å; P943-Y1070 VanDerWaalsContact CD-OH 3.23Å; P943-Y1070 WeakPolarHBondContact CD-OH 3.2Å; P943-Y1070 HydrophobicContact CG-CE2 4.4Å; P943-Y1070 WeakPolarHBondContact CG-OH 3.17Å
944T85.5Confident86Confident6 Ų638.6 Ų38.64%0.03724%0.235CC..Hα-helixtrans-64.7-41.3171.9-42.80000110.8K940 F941 A942 A947 L948 Y1007 L1011 W1067K940-T944 PolarHBondContact O-OG1 3.02Å; F941-T944 WeakPolarHBondContact O-CB 3.49Å; F941-T944 PolarHBondContact O-N 2.92Å; A942-T944 VanDerWaalsContact C-N 3.32Å; A942-T944 PolarHBondContact O-N 2.85Å; T944-A947 PolarHBondContact O-N 3.32Å; T944-L948 WeakPolarHBondContact O-CB 3.43Å; T944-L948 WeakPolarHBondContact O-CG 3.35Å; T944-L948 PolarHBondContact O-N 3.23Å; T944-Y1007 HydrophobicContact CG2-CD1 4.11Å; T944-Y1007 HydrophobicContact CG2-CG 3.95Å; T944-L1011 HydrophobicContact CG2-CD1 4.28Å; T944-W1067 HydrophobicContact CG2-CH2 4.31Å; T944-W1067 HydrophobicContact CG2-CZ3 4.32Å
945G87.1Confident85.6Confident0 Ų035.4 Ų35.40%021%0.213CC..Hα-helixtrans-66.7-42.5177.100000112.2L867 V871 F941 A942 P943 L948 F949L867-G945 VanDerWaalsContact CD1-CA 3.41Å; V871-G945 WeakPolarHBondContact CG2-O 3.41Å; F941-G945 PolarHBondContact O-N 3.5Å; F941-G945 VanDerWaalsContact O-N 3.09Å; A942-G945 PolarHBondContact O-N 3.46Å; A942-G945 VanDerWaalsContact O-N 3.15Å; P943-G945 VanDerWaalsContact C-N 3.35Å; G945-L948 WeakPolarHBondContact O-CB 3.4Å; G945-L948 PolarHBondContact O-N 2.98Å; G945-F949 PolarHBondContact O-N 2.88Å
946F88.7Confident85.2Confident104 Ų10434.2 Ų34.246%0.45620%0.2SC..Hα-helixtrans-64.6-41.8175.5-171.2-106.3000112L874 A942 P943 F949 L950L874-F946 HydrophobicContact CD1-CD2 4.38Å; A942-F946 PolarHBondContact O-N 2.82Å; P943-F946 PolarHBondContact O-N 3.18Å; F946-F949 PolarHBondContact O-N 3.04Å; F946-L950 HydrophobicContact CD1-CD1 3.86Å; F946-L950 HydrophobicContact CD1-CG 4.23Å; F946-L950 HydrophobicContact CE1-CD1 3.45Å; F946-L950 VanDerWaalsContact CE1-CD1 3.45Å; F946-L950 HydrophobicContact CE1-CD2 4.38Å; F946-L950 HydrophobicContact CE1-CG 3.94Å; F946-L950 HydrophobicContact CZ-CD1 4.09Å; F946-L950 HydrophobicContact CZ-CD2 4.18Å; F946-L950 HydrophobicContact CZ-CG 4.18Å; F946-L950 WeakPolarHBondContact O-CG 3.5Å; F946-L950 PolarHBondContact O-N 3.44Å
947A85.1Confident84.9Confident47 Ų4739.3 Ų39.339%0.38822%0.222SC..Hα-helixtrans-61.6-43.8174.400000111.9P943 T944 F949 L950 L951P943-A947 VanDerWaalsContact O-CB 3.28Å; P943-A947 WeakPolarHBondContact O-CB 3.07Å; P943-A947 PolarHBondContact O-N 2.89Å; T944-A947 PolarHBondContact O-N 3.32Å; A947-F949 VanDerWaalsContact C-N 3.34Å; A947-F949 PolarHBondContact O-N 2.7Å; A947-L950 PolarHBondContact O-N 2.76Å; A947-L951 WeakPolarHBondContact O-CB 3.13Å; A947-L951 PolarHBondContact O-N 2.76Å
948L86.2Confident84.2Confident1 Ų143.2 Ų43.21%0.00524%0.237CC..Hα-helixtrans-60.1-42.3174-82.3168.2000112.2T944 G945 L951 Y952 F1003 F1004 Y1007T944-L948 WeakPolarHBondContact O-CB 3.43Å; T944-L948 WeakPolarHBondContact O-CG 3.35Å; T944-L948 PolarHBondContact O-N 3.23Å; G945-L948 WeakPolarHBondContact O-CB 3.4Å; G945-L948 PolarHBondContact O-N 2.98Å; L948-L951 PolarHBondContact O-N 3.48Å; L948-Y952 PolarHBondContact O-N 3.09Å; L948-F1003 HydrophobicContact CD2-CB 3.99Å; L948-F1004 HydrophobicContact CB-CE2 4.35Å; L948-F1004 HydrophobicContact CD1-CD1 3.79Å; L948-F1004 HydrophobicContact CD1-CD2 3.96Å; L948-F1004 HydrophobicContact CD1-CE1 3.77Å; L948-F1004 HydrophobicContact CD1-CE2 3.94Å; L948-F1004 HydrophobicContact CD1-CG 3.9Å; L948-F1004 HydrophobicContact CD1-CZ 3.85Å; L948-F1004 HydrophobicContact CD2-CD2 4.13Å; L948-F1004 HydrophobicContact CD2-CG 4.39Å; L948-F1004 HydrophobicContact CG-CD2 4.5Å; L948-Y1007 HydrophobicContact CD1-CD2 4.28Å; L948-Y1007 HydrophobicContact CD2-CD2 3.58Å; L948-Y1007 HydrophobicContact CD2-CE2 3.91Å; L948-Y1007 HydrophobicContact CG-CD2 3.9Å; L948-Y1007 HydrophobicContact CG-CE2 4.33Å
949F88.6Confident83.3Confident3 Ų341.8 Ų41.81%0.01322%0.221CC..Hα-helixtrans-63.9-45.4175.6170.8-105.2000112.3V871 L874 A875 F878 G945 F946 A947 L951 Y952 R953V871-F949 HydrophobicContact CG1-CB 4.44Å; L874-F949 HydrophobicContact CB-CD1 4.47Å; L874-F949 HydrophobicContact CB-CD2 3.97Å; L874-F949 HydrophobicContact CB-CE2 4.21Å; L874-F949 HydrophobicContact CB-CG 4.12Å; L874-F949 HydrophobicContact CD1-CB 4.32Å; L874-F949 HydrophobicContact CD1-CD1 4.48Å; L874-F949 HydrophobicContact CD1-CG 4.33Å; A875-F949 HydrophobicContact CB-CE2 4.37Å; F878-F949 HydrophobicContact CB-CZ 3.99Å; F878-F949 AromaticContact CD2-CE1 3.75Å; F878-F949 HydrophobicContact CD2-CE1 3.75Å; F878-F949 HydrophobicContact CD2-CE2 4.3Å; F878-F949 AromaticContact CD2-CZ 3.38Å; F878-F949 HydrophobicContact CD2-CZ 3.38Å; F878-F949 AromaticContact CE2-CE1 4Å; F878-F949 HydrophobicContact CE2-CE1 4Å; F878-F949 HydrophobicContact CE2-CZ 4.11Å; F878-F949 HydrophobicContact CG-CE1 4.48Å; F878-F949 AromaticContact CG-CZ 3.88Å; F878-F949 HydrophobicContact CG-CZ 3.88Å; G945-F949 PolarHBondContact O-N 2.88Å; F946-F949 PolarHBondContact O-N 3.04Å; A947-F949 VanDerWaalsContact C-N 3.34Å; A947-F949 PolarHBondContact O-N 2.7Å; F949-L951 VanDerWaalsContact C-N 3.32Å; F949-L951 PolarHBondContact O-N 3.29Å; F949-Y952 PolarHBondContact O-N 2.88Å; F949-R953 WeakPolarHBondContact O-CB 3.47Å; F949-R953 PolarHBondContact O-N 3.5Å
950L86.7Confident82.5Confident79 Ų7939 Ų3941%0.41421%0.205SC..Hα-helixtrans-62.9-39.6176.4-71.6-177.9000111.9F946 A947 R953 A954F946-L950 HydrophobicContact CD1-CD1 3.86Å; F946-L950 HydrophobicContact CD1-CG 4.23Å; F946-L950 HydrophobicContact CE1-CD1 3.45Å; F946-L950 VanDerWaalsContact CE1-CD1 3.45Å; F946-L950 HydrophobicContact CE1-CD2 4.38Å; F946-L950 HydrophobicContact CE1-CG 3.94Å; F946-L950 HydrophobicContact CZ-CD1 4.09Å; F946-L950 HydrophobicContact CZ-CD2 4.18Å; F946-L950 HydrophobicContact CZ-CG 4.18Å; F946-L950 WeakPolarHBondContact O-CG 3.5Å; F946-L950 PolarHBondContact O-N 3.44Å; A947-L950 PolarHBondContact O-N 2.76Å; L950-R953 PolarHBondContact O-N 3.4Å; L950-A954 WeakPolarHBondContact O-CB 3.15Å; L950-A954 PolarHBondContact O-N 2.72Å
951L82.5Confident81.7Confident16 Ų1644.5 Ų44.58%0.08423%0.229CC..Hα-helixtrans-61.4-47.3175.117759.6000111.1A947 L948 F949 R953 A954 L955 F1003 L1058 M1062A947-L951 WeakPolarHBondContact O-CB 3.13Å; A947-L951 PolarHBondContact O-N 2.76Å; L948-L951 PolarHBondContact O-N 3.48Å; F949-L951 VanDerWaalsContact C-N 3.32Å; F949-L951 PolarHBondContact O-N 3.29Å; L951-R953 VanDerWaalsContact C-N 3.35Å; L951-R953 PolarHBondContact O-N 2.93Å; L951-A954 PolarHBondContact O-N 3.02Å; L951-L955 HydrophobicContact CD1-CD1 4.31Å; L951-L955 HydrophobicContact CD1-CG 4.38Å; L951-L955 HydrophobicContact CG-CD1 4.15Å; L951-L955 WeakPolarHBondContact O-CB 3.39Å; L951-L955 WeakPolarHBondContact O-CG 3.45Å; L951-L955 PolarHBondContact O-N 2.95Å; L951-F1003 HydrophobicContact CD2-CB 4.02Å; L951-F1003 HydrophobicContact CD2-CD1 4.3Å; L951-F1003 HydrophobicContact CD2-CD2 3.49Å; L951-F1003 VanDerWaalsContact CD2-CD2 3.49Å; L951-F1003 HydrophobicContact CD2-CE2 3.99Å; L951-F1003 HydrophobicContact CD2-CG 3.68Å; L951-F1003 HydrophobicContact CG-CD2 4.46Å; L951-L1058 HydrophobicContact CD1-CD2 4.41Å; L951-M1062 HydrophobicContact CD1-CG 4.2Å; L951-M1062 HydrophobicContact CD1-SD 3.7Å; L951-M1062 HydrophobicContact CD2-SD 3.99Å; L951-M1062 HydrophobicContact CG-SD 4.34Å
952Y84.9Confident80.6Confident1 Ų147.7 Ų47.70%0.00424%0.243CC..Hα-helixtrans-58.8-46.3175.2177.6-108.2000111.6M880 P881 R882 P883 L948 F949 A954 L955 V956 V996 C1000M880-Y952 HydrophobicContact CE-CE1 4.41Å; P881-Y952 WeakPolarHBondContact CG-OH 3.26Å; P881-Y952 VanDerWaalsContact O-CE1 3.29Å; P881-Y952 WeakPolarHBondContact O-CE1 3.45Å; P881-Y952 PolarHBondContact O-OH 3.47Å; R882-Y952 PolarHBondContact O-OH 3.24Å; R882-Y952 VanDerWaalsContact O-OH 3.09Å; P883-Y952 HydrophobicContact CB-CD1 4.13Å; P883-Y952 HydrophobicContact CB-CD2 4.25Å; P883-Y952 HydrophobicContact CB-CE1 4.19Å; P883-Y952 HydrophobicContact CB-CE2 4.3Å; P883-Y952 HydrophobicContact CB-CG 4.15Å; L948-Y952 PolarHBondContact O-N 3.09Å; F949-Y952 PolarHBondContact O-N 2.88Å; Y952-A954 VanDerWaalsContact C-N 3.34Å; Y952-A954 PolarHBondContact O-N 3.49Å; Y952-L955 WeakPolarHBondContact O-CB 3.33Å; Y952-L955 PolarHBondContact O-N 3.3Å; Y952-V956 HydrophobicContact CD1-CG2 4.44Å; Y952-V956 HydrophobicContact CD2-CG2 4.33Å; Y952-V956 HydrophobicContact CE1-CG2 4Å; Y952-V956 HydrophobicContact CE2-CG2 3.89Å; Y952-V956 WeakPolarHBondContact O-CG2 3Å; Y952-V956 PolarHBondContact O-N 3.48Å; Y952-V996 HydrophobicContact CD2-CG1 3.98Å; Y952-V996 HydrophobicContact CE2-CG1 3.83Å; Y952-C1000 HydrophobicContact CD2-CB 4.08Å
953R82.4Confident79.3Confident112 Ų11248.1 Ų48.142%0.42324%0.24SC..Hα-helixtrans-60.5-42.6176.8179.4178.6171.6164.2-0.8112.3M880 F949 L950 L951 V956 H957M880-R953 HydrophobicContact CE-CB 4.07Å; M880-R953 HydrophobicContact CE-CG 3.98Å; F949-R953 WeakPolarHBondContact O-CB 3.47Å; F949-R953 PolarHBondContact O-N 3.5Å; L950-R953 PolarHBondContact O-N 3.4Å; L951-R953 VanDerWaalsContact C-N 3.35Å; L951-R953 PolarHBondContact O-N 2.93Å; R953-V956 PolarHBondContact O-N 3.08Å; R953-H957 WeakPolarHBondContact O-CB 3.44Å; R953-H957 PolarHBondContact O-N 3.46Å
954A80.9Confident78Confident56 Ų5650.6 Ų50.646%0.46325%0.247SC..Hα-helixtrans-65.3-41.9177.700000111.8L950 L951 Y952 H957 Y958L950-A954 WeakPolarHBondContact O-CB 3.15Å; L950-A954 PolarHBondContact O-N 2.72Å; L951-A954 PolarHBondContact O-N 3.02Å; Y952-A954 VanDerWaalsContact C-N 3.34Å; Y952-A954 PolarHBondContact O-N 3.49Å; A954-H957 PolarHBondContact O-N 2.93Å; A954-Y958 WeakPolarHBondContact O-CB 3.22Å; A954-Y958 PolarHBondContact O-N 3.21Å
955L77.8Confident76.9Confident5 Ų557.2 Ų57.23%0.02628%0.277CS..Hα-helixtrans-60.5-47.1175.3-80.9168.3000111.9L951 Y952 Y958 L959 V996 L999 L1058L951-L955 HydrophobicContact CD1-CD1 4.31Å; L951-L955 HydrophobicContact CD1-CG 4.38Å; L951-L955 HydrophobicContact CG-CD1 4.15Å; L951-L955 WeakPolarHBondContact O-CB 3.39Å; L951-L955 WeakPolarHBondContact O-CG 3.45Å; L951-L955 PolarHBondContact O-N 2.95Å; Y952-L955 WeakPolarHBondContact O-CB 3.33Å; Y952-L955 PolarHBondContact O-N 3.3Å; L955-Y958 PolarHBondContact O-N 3.34Å; L955-L959 PolarHBondContact O-N 2.88Å; L955-L959 VanDerWaalsContact O-N 3.07Å; L955-V996 HydrophobicContact CB-CG1 3.71Å; L955-V996 HydrophobicContact CB-CG2 3.99Å; L955-V996 HydrophobicContact CD1-CG1 4.34Å; L955-V996 HydrophobicContact CD2-CG2 4.38Å; L955-L999 HydrophobicContact CD1-CB 4.46Å; L955-L999 HydrophobicContact CD2-CD1 4.44Å; L955-L1058 HydrophobicContact CD2-CD1 4.37Å; L955-L1058 HydrophobicContact CD2-CD2 3.39Å; L955-L1058 HydrophobicContact CD2-CG 4.49Å; L955-L1058 HydrophobicContact CG-CD2 4.07Å
956V76.9Confident75.5Confident2 Ų263.4 Ų63.41%0.01231%0.306CS..Hα-helixtrans-61.1-48.1176.1167.90000110.5M880 Y952 R953 Y958 L959 C960 L982 W986 V996M880-V956 HydrophobicContact CE-CB 3.88Å; M880-V956 HydrophobicContact CE-CG1 3.79Å; M880-V956 HydrophobicContact CE-CG2 4.21Å; Y952-V956 HydrophobicContact CD1-CG2 4.44Å; Y952-V956 HydrophobicContact CD2-CG2 4.33Å; Y952-V956 HydrophobicContact CE1-CG2 4Å; Y952-V956 HydrophobicContact CE2-CG2 3.89Å; Y952-V956 WeakPolarHBondContact O-CG2 3Å; Y952-V956 PolarHBondContact O-N 3.48Å; R953-V956 PolarHBondContact O-N 3.08Å; V956-Y958 VanDerWaalsContact C-N 3.34Å; V956-Y958 PolarHBondContact O-N 2.94Å; V956-L959 PolarHBondContact O-N 3.09Å; V956-C960 PolarHBondContact O-N 3.1Å; V956-C960 PolarHBondContact O-SG 3.47Å; V956-L982 HydrophobicContact CG1-CD2 3.57Å; V956-W986 HydrophobicContact CB-CH2 4.12Å; V956-W986 HydrophobicContact CB-CZ3 4.14Å; V956-W986 HydrophobicContact CG1-CH2 3.66Å; V956-W986 HydrophobicContact CG1-CZ3 3.52Å; V956-W986 HydrophobicContact CG2-CH2 4.02Å; V956-W986 HydrophobicContact CG2-CZ3 3.75Å; V956-V996 HydrophobicContact CG2-CG1 4.05Å
957H76.9Confident73.9Confident128 Ų12860.9 Ų60.959%0.59330%0.299SS*.Hα-helixtrans-62-40.1179.1-177.467.6000112.9R953 A954 C960 K961R953-H957 WeakPolarHBondContact O-CB 3.44Å; R953-H957 PolarHBondContact O-N 3.46Å; A954-H957 PolarHBondContact O-N 2.93Å; H957-C960 PolarHBondContact O-N 3.44Å; H957-K961 PolarHBondContact O-N 3.17Å
958Y73.5Confident72.3Confident122 Ų12266.1 Ų66.148%0.47832%0.321SS..Hα-helixtrans-61-44.7175.8177.3-94.8000111.5A954 L955 V956 K961 F962A954-Y958 WeakPolarHBondContact O-CB 3.22Å; A954-Y958 PolarHBondContact O-N 3.21Å; L955-Y958 PolarHBondContact O-N 3.34Å; V956-Y958 VanDerWaalsContact C-N 3.34Å; V956-Y958 PolarHBondContact O-N 2.94Å; Y958-K961 PolarHBondContact O-N 3.26Å; Y958-F962 WeakPolarHBondContact O-CB 3.43Å; Y958-F962 PolarHBondContact O-N 3.21Å
959L70.5Confident70.3Confident24 Ų2477.8 Ų77.813%0.12637%0.365CS..Hα-helixtrans-61.2-45.1175.3-77.2-174.9000112.1L955 V956 K961 F962 E963 W986 Y992 V996L955-L959 PolarHBondContact O-N 2.88Å; L955-L959 VanDerWaalsContact O-N 3.07Å; V956-L959 PolarHBondContact O-N 3.09Å; L959-K961 VanDerWaalsContact C-N 3.27Å; L959-K961 PolarHBondContact O-N 3.16Å; L959-F962 WeakPolarHBondContact O-CB 3.08Å; L959-F962 PolarHBondContact O-N 2.91Å; L959-F962 VanDerWaalsContact O-N 3.12Å; L959-E963 PolarHBondContact O-N 3.1Å; L959-W986 HydrophobicContact CB-CH2 4.39Å; L959-W986 HydrophobicContact CB-CZ2 4.2Å; L959-W986 HydrophobicContact CD1-CH2 3.98Å; L959-W986 HydrophobicContact CD1-CZ2 3.99Å; L959-Y992 WeakPolarHBondContact CD1-O 3.23Å; L959-V996 HydrophobicContact CD1-CB 3.98Å; L959-V996 HydrophobicContact CD1-CG2 3.21Å; L959-V996 HydrophobicContact CD2-CG2 4.48Å; L959-V996 HydrophobicContact CG-CG2 3.74Å
960C68.3Low68.2Low27 Ų2781.5 Ų81.518%0.18239%0.385CS..Hα-helixtrans-59.8-41.2178.8-60.40000111.7V956 H957 F962 Q964 L982V956-C960 PolarHBondContact O-N 3.1Å; V956-C960 PolarHBondContact O-SG 3.47Å; H957-C960 PolarHBondContact O-N 3.44Å; C960-F962 VanDerWaalsContact C-N 3.34Å; C960-Q964 WeakPolarHBondContact O-CB 3.39Å; C960-Q964 PolarHBondContact O-N 3.45Å; C960-L982 HydrophobicContact CB-CD1 4.4Å; C960-L982 VanDerWaalsContact SG-CD1 3.53Å; C960-L982 WeakPolarHBondContact SG-CD2 3.16Å
961K68.4Low66.2Low120 Ų12083.8 Ų83.852%0.52240%0.404SS..Hα-helixtrans-66.9-37.6176.8-168.2178.2-178.5179.70111.9H957 Y958 L959 Q965H957-K961 PolarHBondContact O-N 3.17Å; Y958-K961 PolarHBondContact O-N 3.26Å; L959-K961 VanDerWaalsContact C-N 3.27Å; L959-K961 PolarHBondContact O-N 3.16Å; K961-Q965 WeakPolarHBondContact O-CG 3.48Å; K961-Q965 PolarHBondContact O-N 3.49Å
962F66.1Low64.5Low67 Ų6792.7 Ų92.729%0.29444%0.437SS..Hα-helixtrans-66.5-46.5177.2-174.1-94.7000111.8Y958 L959 C960 Q964 Q965 Q966Y958-F962 WeakPolarHBondContact O-CB 3.43Å; Y958-F962 PolarHBondContact O-N 3.21Å; L959-F962 WeakPolarHBondContact O-CB 3.08Å; L959-F962 PolarHBondContact O-N 2.91Å; L959-F962 VanDerWaalsContact O-N 3.12Å; C960-F962 VanDerWaalsContact C-N 3.34Å; F962-Q964 VanDerWaalsContact C-N 3.33Å; F962-Q964 PolarHBondContact O-N 2.93Å; F962-Q965 PolarHBondContact O-N 2.92Å; F962-Q966 VanDerWaalsContact CE1-OE1 3.23Å; F962-Q966 PolarHBondContact O-N 3.47Å
963E61.2Low62.3Low37 Ų3797.8 Ų97.817%0.17346%0.456CS..Hα-helixtrans-61.3-42.4175-83.5-163.5159.900111.7L959 Q965 Q966 T967 Y992L959-E963 PolarHBondContact O-N 3.1Å; E963-Q965 PolarHBondContact O-N 3.13Å; E963-Q966 PolarHBondContact O-N 2.94Å; E963-T967 PolarHBondContact O-N 3.15Å; E963-T967 PolarHBondContact O-OG1 2.83Å; E963-Y992 WeakPolarHBondContact OE1-CD2 3.39Å
964Q60.1Low60.4Low106 Ų10695.4 Ų95.450%0.49546%0.455SS..Hα-helixtrans-59.3-33.6177.5-168.91775.200112.3C960 F962C960-Q964 WeakPolarHBondContact O-CB 3.39Å; C960-Q964 PolarHBondContact O-N 3.45Å; F962-Q964 VanDerWaalsContact C-N 3.33Å; F962-Q964 PolarHBondContact O-N 2.93Å
965Q62.3Low58.6Low144 Ų14499 Ų9967%0.67347%0.466SS*.Hα-helixtrans-74.8-25.3175.3-76.2-177.2-30.600113.6K961 F962 E963K961-Q965 WeakPolarHBondContact O-CG 3.48Å; K961-Q965 PolarHBondContact O-N 3.49Å; F962-Q965 PolarHBondContact O-N 2.92Å; E963-Q965 PolarHBondContact O-N 3.13Å
966Q58Low57.1Low130 Ų130101.5 Ų101.561%0.60748%0.481SS*.Hα-helixtrans-89.6-22.6-177.8-127.4170.6-3.800113.1F962 E963F962-Q966 VanDerWaalsContact CE1-OE1 3.23Å; F962-Q966 PolarHBondContact O-N 3.47Å; E963-Q966 PolarHBondContact O-N 2.94Å
967T53.6Low55.4Low51 Ų51108.7 Ų108.731%0.31352%0.52SS..  trans-103.914.9-172.242.50000115.4E963 R969 D970E963-T967 PolarHBondContact O-N 3.15Å; E963-T967 PolarHBondContact O-OG1 2.83Å; T967-R969 PolarHBondContact O-N 2.89Å; T967-D970 PolarHBondContact O-N 2.84Å; T967-D970 VanDerWaalsContact O-N 3.14Å
968D52.9Low53.9Low157 Ų157104.4 Ų104.484%0.8451%0.51SS*.THydrogen-bonded Turntrans-61.919.5174.8-130.36.6000114.4
969R44.5Very low52.7Low247 Ų247101.7 Ų101.793%0.93251%0.506SS*.THydrogen-bonded Turntrans-119.7-2.9174.8-65.1-169.2-172.7-1733.2115.2T967T967-R969 PolarHBondContact O-N 2.89Å
970D43.5Very low51.5Low80 Ų80102.4 Ų102.443%0.42851%0.513SS..  trans-133113-179.1-144.1-20.2000112.3T967 R972T967-D970 PolarHBondContact O-N 2.84Å; T967-D970 VanDerWaalsContact O-N 3.14Å; D970-R972 PolarHBondContact O-N 3.31Å; D970-R972 IonicContact OD1-NE 3.89Å; D970-R972 IonicContact OD1-NH2 3.59Å
971P45.4Very low50.5Low127 Ų127106.1 Ų106.183%0.82553%0.527SS*.THydrogen-bonded Turntrans-75.913.9-170.430.8-35.5000115
972R46Very low49.6Very low203 Ų203101.2 Ų101.277%0.76651%0.507SS*.THydrogen-bonded Turntrans-89.1-1.3179.2-80.8-178-82.5-172.4-4.5114.5D970 P974D970-R972 PolarHBondContact O-N 3.31Å; D970-R972 IonicContact OD1-NE 3.89Å; D970-R972 IonicContact OD1-NH2 3.59Å; R972-P974 WeakPolarHBondContact O-CD 3.47Å
973W40Very low48.8Very low109 Ų109100.6 Ų100.641%0.41350%0.503SS..SBendtrans-99.3109.9178.1-7581.4000110.6L985W973-L985 HydrophobicContact CD2-CD1 4.48Å; W973-L985 HydrophobicContact CE3-CD1 3.86Å; W973-L985 HydrophobicContact CE3-CD2 4.18Å; W973-L985 HydrophobicContact CH2-CD1 3.78Å; W973-L985 HydrophobicContact CH2-CD2 3.39Å; W973-L985 HydrophobicContact CH2-CG 3.91Å; W973-L985 HydrophobicContact CZ2-CD1 4.32Å; W973-L985 HydrophobicContact CZ3-CD1 3.52Å; W973-L985 HydrophobicContact CZ3-CD2 3.13Å; W973-L985 HydrophobicContact CZ3-CG 3.83Å
974P42.5Very low48.1Very low61 Ų61103.6 Ų103.640%0.39652%0.519SS..  trans-67.4140.5178.827.8-32.7000110R972 V976R972-P974 WeakPolarHBondContact O-CD 3.47Å; P974-V976 VanDerWaalsContact O-CG2 3.29Å; P974-V976 WeakPolarHBondContact O-CG2 3.48Å; P974-V976 PolarHBondContact O-N 3.02Å
975L41.8Very low47.5Very low133 Ų133101.7 Ų101.770%0.69651%0.512SS*.  trans-50.1102.7172-148.788.5000109.1N977L975-N977 VanDerWaalsContact C-N 3.27Å; L975-N977 PolarHBondContact O-N 2.66Å
976V47.2Very low47.1Very low57 Ų5795.5 Ų95.535%0.34548%0.483SS..  trans-74.680.5-172.6-174.50000110P974 G978 L982P974-V976 VanDerWaalsContact O-CG2 3.29Å; P974-V976 WeakPolarHBondContact O-CG2 3.48Å; P974-V976 PolarHBondContact O-N 3.02Å; V976-G978 VanDerWaalsContact C-N 3.28Å; V976-G978 WeakPolarHBondContact CG1-O 3.48Å; V976-L982 HydrophobicContact CG1-CD1 3.71Å
977N40.8Very low46.7Very low153 Ų15394 Ų9482%0.81848%0.479SS*.  trans-93.124.1169.6-86.1-10000112.6L975L975-N977 VanDerWaalsContact C-N 3.27Å; L975-N977 PolarHBondContact O-N 2.66Å
978G45.9Very low46.3Very low37 Ų3796 Ų9638%0.38150%0.495SS..SBendtrans-160.6140.1173.700000112.1V976 C980V976-G978 VanDerWaalsContact C-N 3.28Å; V976-G978 WeakPolarHBondContact CG1-O 3.48Å; G978-C980 PolarHBondContact O-N 3.36Å
979T48.7Very low46.3Very low65 Ų6595.4 Ų95.440%0.39949%0.492SS..THydrogen-bonded Turntrans-57.2-9.7177.443.70000114.2L982T979-L982 WeakPolarHBondContact O-CB 3.32Å
980C45.1Very low47Very low40 Ų4084.7 Ų84.727%0.2746%0.455SS..THydrogen-bonded Turntrans-92.8-29.9-161.9-52.80000114.9Y268 G978 L982Y268-C980 HydrophobicContact CE1-CB 3.58Å; Y268-C980 WeakPolarHBondContact OH-CB 3.42Å; Y268-C980 PolarHBondContact OH-SG 3.19Å; G978-C980 PolarHBondContact O-N 3.36Å; C980-L982 VanDerWaalsContact C-N 3.26Å
981Q46Very low48.1Very low105 Ų10586.8 Ų86.849%0.49147%0.466SS..Hα-helixtrans-75.2-20.1171.5-85.7-179.3-25.300112.3Y983 L985Q981-Y983 VanDerWaalsContact C-N 3.28Å; Q981-Y983 PolarHBondContact O-N 3.41Å; Q981-L985 WeakPolarHBondContact O-CB 3.15Å; Q981-L985 PolarHBondContact O-N 3.36Å
982L50.5Low49.3Very low17 Ų1785.3 Ų85.39%0.08945%0.445CS..Hα-helixtrans-60.8-35.7176.7-13188.5000113V956 C960 V976 T979 C980 L985 W986V956-L982 HydrophobicContact CG1-CD2 3.57Å; C960-L982 HydrophobicContact CB-CD1 4.4Å; C960-L982 VanDerWaalsContact SG-CD1 3.53Å; C960-L982 WeakPolarHBondContact SG-CD2 3.16Å; V976-L982 HydrophobicContact CG1-CD1 3.71Å; T979-L982 WeakPolarHBondContact O-CB 3.32Å; C980-L982 VanDerWaalsContact C-N 3.26Å; L982-L985 PolarHBondContact O-N 2.78Å; L982-W986 HydrophobicContact CD2-CZ3 4.47Å; L982-W986 PolarHBondContact O-N 3.47Å
983Y48.8Very low50.6Low53 Ų5376.6 Ų76.621%0.20841%0.413CS..Hα-helixtrans-70.9-39.9-175.8-154.3-85.7000112.6R264 D282 A879 M880 Q981R264-Y983 VanDerWaalsContact NH1-CZ 3.29Å; R264-Y983 PolarHBondContact NH1-OH 2.89Å; R264-Y983 VanDerWaalsContact NH1-OH 3.07Å; D282-Y983 PolarHBondContact OD2-OH 3.42Å; A879-Y983 WeakPolarHBondContact O-CD2 3.48Å; M880-Y983 VanDerWaalsContact O-CE2 3.3Å; M880-Y983 WeakPolarHBondContact O-CE2 3.48Å; Q981-Y983 VanDerWaalsContact C-N 3.28Å; Q981-Y983 PolarHBondContact O-N 3.41Å
984L46.6Very low52.2Low100 Ų10073.9 Ų73.952%0.52441%0.407SS..Hα-helixtrans-70.4-35.5176.4-81.5162.9000111.8L271L271-L984 HydrophobicContact CD2-CD2 3.88Å; L271-L984 HydrophobicContact CG-CD2 4.47Å
985L47.5Very low53.9Low66 Ų6673.4 Ų73.435%0.34640%0.403SS..Hα-helixtrans-76.1-31.7-174.1-172.2115000113W973 Q981 L982W973-L985 HydrophobicContact CD2-CD1 4.48Å; W973-L985 HydrophobicContact CE3-CD1 3.86Å; W973-L985 HydrophobicContact CE3-CD2 4.18Å; W973-L985 HydrophobicContact CH2-CD1 3.78Å; W973-L985 HydrophobicContact CH2-CD2 3.39Å; W973-L985 HydrophobicContact CH2-CG 3.91Å; W973-L985 HydrophobicContact CZ2-CD1 4.32Å; W973-L985 HydrophobicContact CZ3-CD1 3.52Å; W973-L985 HydrophobicContact CZ3-CD2 3.13Å; W973-L985 HydrophobicContact CZ3-CG 3.83Å; Q981-L985 WeakPolarHBondContact O-CB 3.15Å; Q981-L985 PolarHBondContact O-N 3.36Å; L982-L985 PolarHBondContact O-N 2.78Å
986W53.4Low55.6Low14 Ų1467.3 Ų67.35%0.05337%0.371CS..Hα-helixtrans-92.6-3.2179.4-89.83.3000116P881 V956 L959 L982 S988 S990 L993P881-W986 HydrophobicContact CB-CE3 4.27Å; P881-W986 HydrophobicContact CG-CE3 3.68Å; P881-W986 HydrophobicContact CG-CZ3 3.8Å; V956-W986 HydrophobicContact CB-CH2 4.12Å; V956-W986 HydrophobicContact CB-CZ3 4.14Å; V956-W986 HydrophobicContact CG1-CH2 3.66Å; V956-W986 HydrophobicContact CG1-CZ3 3.52Å; V956-W986 HydrophobicContact CG2-CH2 4.02Å; V956-W986 HydrophobicContact CG2-CZ3 3.75Å; L959-W986 HydrophobicContact CB-CH2 4.39Å; L959-W986 HydrophobicContact CB-CZ2 4.2Å; L959-W986 HydrophobicContact CD1-CH2 3.98Å; L959-W986 HydrophobicContact CD1-CZ2 3.99Å; L982-W986 HydrophobicContact CD2-CZ3 4.47Å; L982-W986 PolarHBondContact O-N 3.47Å; W986-S988 PolarHBondContact O-N 2.98Å; W986-S990 PolarHBondContact NE1-OG 2.93Å; W986-L993 HydrophobicContact CB-CD2 4.07Å; W986-L993 HydrophobicContact CD2-CB 4.1Å; W986-L993 HydrophobicContact CD2-CD1 4.45Å; W986-L993 HydrophobicContact CD2-CD2 4.2Å; W986-L993 HydrophobicContact CD2-CG 4.48Å; W986-L993 HydrophobicContact CE3-CB 4.1Å; W986-L993 HydrophobicContact CE3-CD1 3.61Å; W986-L993 HydrophobicContact CE3-CD2 3.83Å; W986-L993 HydrophobicContact CE3-CG 4.04Å; W986-L993 HydrophobicContact CG-CD2 4.37Å; W986-L993 HydrophobicContact CH2-CD1 4.27Å; W986-L993 HydrophobicContact CZ3-CB 4.43Å; W986-L993 HydrophobicContact CZ3-CD1 3.53Å; W986-L993 HydrophobicContact CZ3-CG 4.38Å
987N50.6Low57.4Low99 Ų9964.8 Ų64.853%0.52936%0.355SS..THydrogen-bonded Turntrans-69.6-11169.1-1163.1000112.5N278N278-N987 PolarHBondContact ND2-ND2 2.83Å
988S45.5Very low59.3Low92 Ų9261.5 Ų61.564%0.64333%0.331SS*.THydrogen-bonded Turntrans-90.2115.5164.81760000108.9W986 S990W986-S988 PolarHBondContact O-N 2.98Å; S988-S990 VanDerWaalsContact C-N 3.35Å; S988-S990 PolarHBondContact O-N 2.92Å
989N51.6Low60.9Low146 Ų14661.4 Ų61.478%0.78132%0.322SS*.THydrogen-bonded Turntrans-25.881.4176.9-75.3-31000115.1
990S60.2Low62.6Low21 Ų2158.4 Ų58.415%0.14730%0.303CS..  trans-91.2117.6169.1680000107.7W986 S988 Y992 L993W986-S990 PolarHBondContact NE1-OG 2.93Å; S988-S990 VanDerWaalsContact C-N 3.35Å; S988-S990 PolarHBondContact O-N 2.92Å; S990-Y992 PolarHBondContact O-N 2.89Å; S990-L993 PolarHBondContact O-N 2.86Å; S990-L993 WeakPolarHBondContact OG-CB 3.31Å; S990-L993 PolarHBondContact OG-N 2.92Å
991D67Low64.6Low124 Ų12457 Ų5766%0.66329%0.293SS*.Hα-helixtrans-52.6-27.4175.8-70.3-36.6000111.6N994 V995D991-N994 WeakPolarHBondContact O-CB 3.49Å; D991-N994 PolarHBondContact O-N 2.78Å; D991-V995 WeakPolarHBondContact O-CG2 3.37Å; D991-V995 PolarHBondContact O-N 3.33Å; D991-V995 VanDerWaalsContact O-N 3.1Å
992Y69Low66.5Low97 Ų9752.8 Ų52.838%0.3828%0.275SS..Hα-helixtrans-66.2-41.3177-55.1-67.4000114.3L959 E963 S990 N994 V995 V996L959-Y992 WeakPolarHBondContact CD1-O 3.23Å; E963-Y992 WeakPolarHBondContact OE1-CD2 3.39Å; S990-Y992 PolarHBondContact O-N 2.89Å; Y992-N994 VanDerWaalsContact C-N 3.32Å; Y992-N994 PolarHBondContact O-N 3.36Å; Y992-V995 WeakPolarHBondContact O-CB 3.26Å; Y992-V995 PolarHBondContact O-N 3.32Å; Y992-V996 PolarHBondContact O-N 2.95Å; Y992-V996 VanDerWaalsContact O-N 3.08Å
993L73.9Confident68.1Low19 Ų1953 Ų5310%0.09928%0.275CS..Hα-helixtrans-65.3-40175.8175.556.7000110.8P881 W986 S990 V995 V996 Q997P881-L993 HydrophobicContact CB-CD1 4.46Å; P881-L993 HydrophobicContact CB-CD2 4.32Å; W986-L993 HydrophobicContact CB-CD2 4.07Å; W986-L993 HydrophobicContact CD2-CB 4.1Å; W986-L993 HydrophobicContact CD2-CD1 4.45Å; W986-L993 HydrophobicContact CD2-CD2 4.2Å; W986-L993 HydrophobicContact CD2-CG 4.48Å; W986-L993 HydrophobicContact CE3-CB 4.1Å; W986-L993 HydrophobicContact CE3-CD1 3.61Å; W986-L993 HydrophobicContact CE3-CD2 3.83Å; W986-L993 HydrophobicContact CE3-CG 4.04Å; W986-L993 HydrophobicContact CG-CD2 4.37Å; W986-L993 HydrophobicContact CH2-CD1 4.27Å; W986-L993 HydrophobicContact CZ3-CB 4.43Å; W986-L993 HydrophobicContact CZ3-CD1 3.53Å; W986-L993 HydrophobicContact CZ3-CG 4.38Å; S990-L993 PolarHBondContact O-N 2.86Å; S990-L993 WeakPolarHBondContact OG-CB 3.31Å; S990-L993 PolarHBondContact OG-N 2.92Å; L993-V995 VanDerWaalsContact C-N 3.28Å; L993-V995 PolarHBondContact O-N 2.72Å; L993-V996 PolarHBondContact O-N 2.72Å; L993-Q997 HydrophobicContact CD1-CG 4.03Å; L993-Q997 HydrophobicContact CG-CG 4.36Å; L993-Q997 WeakPolarHBondContact O-CG 3.23Å; L993-Q997 PolarHBondContact O-N 2.76Å
994N74.7Confident70Confident53 Ų5350.5 Ų50.528%0.28327%0.265SS..Hα-helixtrans-59.1-39.8174.3-90.6-48.6000111.7D991 Y992 R998D991-N994 WeakPolarHBondContact O-CB 3.49Å; D991-N994 PolarHBondContact O-N 2.78Å; Y992-N994 VanDerWaalsContact C-N 3.32Å; Y992-N994 PolarHBondContact O-N 3.36Å; N994-R998 WeakPolarHBondContact O-CB 3.48Å; N994-R998 VanDerWaalsContact O-CG 3.24Å; N994-R998 WeakPolarHBondContact O-CG 3.44Å; N994-R998 PolarHBondContact O-N 3.3Å
995V76.3Confident72Confident51 Ų5145.7 Ų45.731%0.30924%0.24SC..Hα-helixtrans-62.5-46.1175.1166.60000111.4D991 Y992 L993 R998 L999 P1051D991-V995 WeakPolarHBondContact O-CG2 3.37Å; D991-V995 PolarHBondContact O-N 3.33Å; D991-V995 VanDerWaalsContact O-N 3.1Å; Y992-V995 WeakPolarHBondContact O-CB 3.26Å; Y992-V995 PolarHBondContact O-N 3.32Å; L993-V995 VanDerWaalsContact C-N 3.28Å; L993-V995 PolarHBondContact O-N 2.72Å; V995-R998 PolarHBondContact O-N 3.32Å; V995-L999 HydrophobicContact CG1-CD1 4.17Å; V995-L999 WeakPolarHBondContact O-CG 3.37Å; V995-L999 PolarHBondContact O-N 2.95Å; V995-P1051 HydrophobicContact CG1-CB 3.9Å
996V79.2Confident73.8Confident4 Ų446.5 Ų46.52%0.02424%0.244CC..Hα-helixtrans-67.7-38.9179159.60000112.6Y952 L955 V956 L959 Y992 L993 R998 L999 C1000Y952-V996 HydrophobicContact CD2-CG1 3.98Å; Y952-V996 HydrophobicContact CE2-CG1 3.83Å; L955-V996 HydrophobicContact CB-CG1 3.71Å; L955-V996 HydrophobicContact CB-CG2 3.99Å; L955-V996 HydrophobicContact CD1-CG1 4.34Å; L955-V996 HydrophobicContact CD2-CG2 4.38Å; V956-V996 HydrophobicContact CG2-CG1 4.05Å; L959-V996 HydrophobicContact CD1-CB 3.98Å; L959-V996 HydrophobicContact CD1-CG2 3.21Å; L959-V996 HydrophobicContact CD2-CG2 4.48Å; L959-V996 HydrophobicContact CG-CG2 3.74Å; Y992-V996 PolarHBondContact O-N 2.95Å; Y992-V996 VanDerWaalsContact O-N 3.08Å; L993-V996 PolarHBondContact O-N 2.72Å; V996-R998 VanDerWaalsContact C-N 3.35Å; V996-L999 PolarHBondContact O-N 2.85Å; V996-C1000 VanDerWaalsContact O-CB 3.3Å; V996-C1000 WeakPolarHBondContact O-CB 3.34Å; V996-C1000 PolarHBondContact O-N 2.86Å
997Q84.3Confident75.4Confident4 Ų446.9 Ų46.92%0.01925%0.246CC..Hα-helixtrans-62.4-42.2174.1-73.3174-23.600111.4R882 M888 L993 C1000 F1001R882-Q997 PolarHBondContact O-NE2 3.33Å; M888-Q997 HydrophobicContact CE-CB 4.14Å; M888-Q997 HydrophobicContact SD-CB 4.31Å; L993-Q997 HydrophobicContact CD1-CG 4.03Å; L993-Q997 HydrophobicContact CG-CG 4.36Å; L993-Q997 WeakPolarHBondContact O-CG 3.23Å; L993-Q997 PolarHBondContact O-N 2.76Å; Q997-C1000 PolarHBondContact O-N 2.78Å; Q997-F1001 VanDerWaalsContact O-CB 3.23Å; Q997-F1001 WeakPolarHBondContact O-CB 3.34Å; Q997-F1001 PolarHBondContact O-N 2.06Å
998R80.7Confident77.3Confident84 Ų8442.2 Ų42.232%0.31722%0.221SC..Hα-helixtrans-64.9-39.4176-73.3175.3-175.1-138.55.9112.8M888 N994 V995 V996 S1002M888-R998 HydrophobicContact CE-CG 3.75Å; N994-R998 WeakPolarHBondContact O-CB 3.48Å; N994-R998 VanDerWaalsContact O-CG 3.24Å; N994-R998 WeakPolarHBondContact O-CG 3.44Å; N994-R998 PolarHBondContact O-N 3.3Å; V995-R998 PolarHBondContact O-N 3.32Å; V996-R998 VanDerWaalsContact C-N 3.35Å; R998-S1002 PolarHBondContact O-N 3.12Å; R998-S1002 PolarHBondContact O-OG 3.38Å
999L80.1Confident79.4Confident36 Ų3638.3 Ų38.319%0.18819%0.193CC..Hα-helixtrans-64-49.2173.3-76.7168.2000111L955 V995 V996 F1001 S1002 F1003 P1051L955-L999 HydrophobicContact CD1-CB 4.46Å; L955-L999 HydrophobicContact CD2-CD1 4.44Å; V995-L999 HydrophobicContact CG1-CD1 4.17Å; V995-L999 WeakPolarHBondContact O-CG 3.37Å; V995-L999 PolarHBondContact O-N 2.95Å; V996-L999 PolarHBondContact O-N 2.85Å; L999-F1001 VanDerWaalsContact C-N 3.29Å; L999-F1001 PolarHBondContact O-N 3.48Å; L999-S1002 PolarHBondContact O-N 3.26Å; L999-S1002 VanDerWaalsContact O-N 3.16Å; L999-F1003 HydrophobicContact CB-CE2 4.38Å; L999-F1003 WeakPolarHBondContact O-CD2 3.33Å; L999-F1003 PolarHBondContact O-N 3.5Å; L999-F1003 VanDerWaalsContact O-N 3.07Å; L999-P1051 HydrophobicContact CD2-CB 4.29Å; L999-P1051 HydrophobicContact CD2-CG 4.44Å; L999-P1051 HydrophobicContact CG-CB 4.18Å
1000C84.7Confident81.1Confident1 Ų132.4 Ų32.41%0.00717%0.165CC..Hα-helixtrans-56-44.5176.8-172.40000111.6Y952 V996 Q997 F1003 F1004Y952-C1000 HydrophobicContact CD2-CB 4.08Å; V996-C1000 VanDerWaalsContact O-CB 3.3Å; V996-C1000 WeakPolarHBondContact O-CB 3.34Å; V996-C1000 PolarHBondContact O-N 2.86Å; Q997-C1000 PolarHBondContact O-N 2.78Å; C1000-F1003 PolarHBondContact O-N 3.24Å; C1000-F1004 PolarHBondContact O-N 3.01Å
1001F87.1Confident82.5Confident11 Ų1131.4 Ų31.45%0.04816%0.158CC..Hα-helixtrans-58.7-46175.3174.1-121.4000112.9L884 M888 W891 L892 Q997 L999 F1003 F1004 V1005L884-F1001 HydrophobicContact CD2-CB 3.62Å; L884-F1001 HydrophobicContact CD2-CD2 4.04Å; L884-F1001 HydrophobicContact CD2-CG 4.3Å; M888-F1001 HydrophobicContact CB-CD2 3.76Å; M888-F1001 HydrophobicContact CB-CE2 3.83Å; M888-F1001 HydrophobicContact CB-CG 4.2Å; M888-F1001 HydrophobicContact CB-CZ 4.34Å; M888-F1001 HydrophobicContact CG-CD1 4.29Å; M888-F1001 HydrophobicContact CG-CD2 4.15Å; M888-F1001 HydrophobicContact CG-CE1 4.49Å; M888-F1001 HydrophobicContact CG-CE2 4.33Å; M888-F1001 HydrophobicContact CG-CG 4.09Å; M888-F1001 HydrophobicContact CG-CZ 4.45Å; M888-F1001 WeakPolarHBondContact O-CE2 3.36Å; M888-F1001 HydrophobicContact SD-CB 3.88Å; M888-F1001 HydrophobicContact SD-CG 4.1Å; W891-F1001 HydrophobicContact CB-CZ 4.2Å; W891-F1001 AromaticContact CD1-CZ 3.4Å; W891-F1001 HydrophobicContact CG-CZ 4.06Å; L892-F1001 HydrophobicContact CD1-CD2 4.01Å; L892-F1001 HydrophobicContact CD1-CE2 3.96Å; Q997-F1001 VanDerWaalsContact O-CB 3.23Å; Q997-F1001 WeakPolarHBondContact O-CB 3.34Å; Q997-F1001 PolarHBondContact O-N 2.06Å; L999-F1001 VanDerWaalsContact C-N 3.29Å; L999-F1001 PolarHBondContact O-N 3.48Å; F1001-F1003 VanDerWaalsContact C-N 3.31Å; F1001-F1003 PolarHBondContact O-N 3.35Å; F1001-F1004 VanDerWaalsContact O-CB 3.29Å; F1001-F1004 WeakPolarHBondContact O-CB 2.83Å; F1001-F1004 PolarHBondContact O-N 3.47Å; F1001-F1004 VanDerWaalsContact O-N 3.13Å; F1001-V1005 HydrophobicContact CE2-CG2 4.31Å; F1001-V1005 PolarHBondContact O-N 3.14Å
1002S84.8Confident83.6Confident16 Ų1625.5 Ų25.511%0.11213%0.126CC..Hα-helixtrans-61.4-38.1175.7-66.90000112.9R998 L999 V1005 L1006 Q1044 C1048R998-S1002 PolarHBondContact O-N 3.12Å; R998-S1002 PolarHBondContact O-OG 3.38Å; L999-S1002 PolarHBondContact O-N 3.26Å; L999-S1002 VanDerWaalsContact O-N 3.16Å; S1002-V1005 PolarHBondContact O-N 2.99Å; S1002-L1006 PolarHBondContact O-N 3.49Å; S1002-Q1044 PolarHBondContact OG-NE2 3.48Å; S1002-C1048 VanDerWaalsContact CB-SG 3.51Å; S1002-C1048 PolarHBondContact OG-SG 2.88Å
1003F83.3Confident84.5Confident22 Ų2221.7 Ų21.710%0.09612%0.115CC..Hα-helixtrans-67.5-39.4173.3-67.6-61.5000112.1L948 L951 L999 C1000 F1001 V1005 L1006 Y1007L948-F1003 HydrophobicContact CD2-CB 3.99Å; L951-F1003 HydrophobicContact CD2-CB 4.02Å; L951-F1003 HydrophobicContact CD2-CD1 4.3Å; L951-F1003 HydrophobicContact CD2-CD2 3.49Å; L951-F1003 VanDerWaalsContact CD2-CD2 3.49Å; L951-F1003 HydrophobicContact CD2-CE2 3.99Å; L951-F1003 HydrophobicContact CD2-CG 3.68Å; L951-F1003 HydrophobicContact CG-CD2 4.46Å; L999-F1003 HydrophobicContact CB-CE2 4.38Å; L999-F1003 WeakPolarHBondContact O-CD2 3.33Å; L999-F1003 PolarHBondContact O-N 3.5Å; L999-F1003 VanDerWaalsContact O-N 3.07Å; C1000-F1003 PolarHBondContact O-N 3.24Å; F1001-F1003 VanDerWaalsContact C-N 3.31Å; F1001-F1003 PolarHBondContact O-N 3.35Å; F1003-V1005 VanDerWaalsContact C-N 3.32Å; F1003-V1005 PolarHBondContact O-N 3.32Å; F1003-L1006 PolarHBondContact O-N 3.26Å; F1003-Y1007 HydrophobicContact CB-CD2 4.36Å; F1003-Y1007 HydrophobicContact CB-CE2 4.27Å; F1003-Y1007 WeakPolarHBondContact O-CD2 3.25Å; F1003-Y1007 PolarHBondContact O-N 3.23Å
1004F88.7Confident85.1Confident0 Ų020.9 Ų20.90%011%0.111CC..Hα-helixtrans-57.3-44.9175-120-71.1000111.8L867 I868 V871 L884 L892 L948 C1000 F1001 T1008L867-F1004 HydrophobicContact CD2-CE1 4.5Å; I868-F1004 HydrophobicContact CG1-CE1 3.96Å; V871-F1004 HydrophobicContact CB-CE2 4.26Å; V871-F1004 HydrophobicContact CB-CZ 3.9Å; V871-F1004 HydrophobicContact CG1-CE2 3.94Å; V871-F1004 HydrophobicContact CG1-CZ 4.1Å; V871-F1004 HydrophobicContact CG2-CE2 4.3Å; V871-F1004 HydrophobicContact CG2-CZ 3.74Å; L884-F1004 HydrophobicContact CD1-CD2 3.89Å; L884-F1004 HydrophobicContact CD1-CE2 4.01Å; L884-F1004 HydrophobicContact CD1-CG 4.29Å; L884-F1004 HydrophobicContact CD2-CD2 4.48Å; L884-F1004 HydrophobicContact CG-CD2 4.45Å; L892-F1004 HydrophobicContact CD1-CB 3.92Å; L892-F1004 HydrophobicContact CD1-CD1 4.27Å; L892-F1004 HydrophobicContact CD1-CG 4.32Å; L948-F1004 HydrophobicContact CB-CE2 4.35Å; L948-F1004 HydrophobicContact CD1-CD1 3.79Å; L948-F1004 HydrophobicContact CD1-CD2 3.96Å; L948-F1004 HydrophobicContact CD1-CE1 3.77Å; L948-F1004 HydrophobicContact CD1-CE2 3.94Å; L948-F1004 HydrophobicContact CD1-CG 3.9Å; L948-F1004 HydrophobicContact CD1-CZ 3.85Å; L948-F1004 HydrophobicContact CD2-CD2 4.13Å; L948-F1004 HydrophobicContact CD2-CG 4.39Å; L948-F1004 HydrophobicContact CG-CD2 4.5Å; C1000-F1004 PolarHBondContact O-N 3.01Å; F1001-F1004 VanDerWaalsContact O-CB 3.29Å; F1001-F1004 WeakPolarHBondContact O-CB 2.83Å; F1001-F1004 PolarHBondContact O-N 3.47Å; F1001-F1004 VanDerWaalsContact O-N 3.13Å; F1004-T1008 WeakPolarHBondContact O-CB 3.17Å; F1004-T1008 PolarHBondContact O-N 2.78Å; F1004-T1008 PolarHBondContact O-OG1 3.43Å
1005V89.6Confident85.7Confident0 Ų018.5 Ų18.50%010%0.098CC..Hα-helixtrans-64.1-46.8176.1174.10000111L892 V896 F1001 S1002 F1003 Y1007 T1008 V1009 V1040 Q1044L892-V1005 HydrophobicContact CD1-CG2 4.26Å; V896-V1005 HydrophobicContact CG1-CG1 4.22Å; V896-V1005 HydrophobicContact CG2-CG2 4.2Å; F1001-V1005 HydrophobicContact CE2-CG2 4.31Å; F1001-V1005 PolarHBondContact O-N 3.14Å; S1002-V1005 PolarHBondContact O-N 2.99Å; F1003-V1005 VanDerWaalsContact C-N 3.32Å; F1003-V1005 PolarHBondContact O-N 3.32Å; V1005-Y1007 PolarHBondContact O-N 3.08Å; V1005-T1008 PolarHBondContact O-N 2.84Å; V1005-V1009 HydrophobicContact CG1-CG2 4.5Å; V1005-V1009 WeakPolarHBondContact O-CG2 3.07Å; V1005-V1009 PolarHBondContact O-N 3.26Å; V1005-V1040 HydrophobicContact CG1-CG1 3.79Å; V1005-Q1044 HydrophobicContact CB-CG 4Å; V1005-Q1044 HydrophobicContact CG1-CB 4.1Å; V1005-Q1044 HydrophobicContact CG1-CG 4.03Å; V1005-Q1044 HydrophobicContact CG2-CG 4.23Å
1006L86Confident86.1Confident82 Ų8216.4 Ų16.443%0.4299%0.085SC..Hα-helixtrans-58.7-47.7179.1-179.365.5000112.4S1002 F1003 T1008 V1009 A1010 L1041S1002-L1006 PolarHBondContact O-N 3.49Å; F1003-L1006 PolarHBondContact O-N 3.26Å; L1006-T1008 VanDerWaalsContact C-N 3.33Å; L1006-T1008 PolarHBondContact O-N 2.81Å; L1006-V1009 PolarHBondContact O-N 3.17Å; L1006-A1010 PolarHBondContact O-N 2.97Å; L1006-L1041 HydrophobicContact CD1-CD2 4.01Å
1007Y86.7Confident86.3Confident23 Ų2317 Ų179%0.099%0.087CC..Hα-helixtrans-68-33.9178.2-74-60.7000112.2T944 L948 F1003 V1005 A1010 L1011 W1067T944-Y1007 HydrophobicContact CG2-CD1 4.11Å; T944-Y1007 HydrophobicContact CG2-CG 3.95Å; L948-Y1007 HydrophobicContact CD1-CD2 4.28Å; L948-Y1007 HydrophobicContact CD2-CD2 3.58Å; L948-Y1007 HydrophobicContact CD2-CE2 3.91Å; L948-Y1007 HydrophobicContact CG-CD2 3.9Å; L948-Y1007 HydrophobicContact CG-CE2 4.33Å; F1003-Y1007 HydrophobicContact CB-CD2 4.36Å; F1003-Y1007 HydrophobicContact CB-CE2 4.27Å; F1003-Y1007 WeakPolarHBondContact O-CD2 3.25Å; F1003-Y1007 PolarHBondContact O-N 3.23Å; V1005-Y1007 PolarHBondContact O-N 3.08Å; Y1007-A1010 PolarHBondContact O-N 3.02Å; Y1007-L1011 WeakPolarHBondContact O-CB 3.47Å; Y1007-L1011 WeakPolarHBondContact O-CG 3.05Å; Y1007-L1011 PolarHBondContact O-N 3.31Å; Y1007-W1067 AromaticContact CD1-CD2 3.99Å; Y1007-W1067 HydrophobicContact CD1-CD2 3.99Å; Y1007-W1067 AromaticContact CD1-CE2 3.68Å; Y1007-W1067 HydrophobicContact CD1-CG 4.19Å; Y1007-W1067 HydrophobicContact CD1-CZ2 4.06Å; Y1007-W1067 AromaticContact CD1-NE1 3.76Å; Y1007-W1067 HydrophobicContact CE1-CB 4.34Å; Y1007-W1067 AromaticContact CE1-CD1 3.86Å; Y1007-W1067 HydrophobicContact CE1-CD2 4.08Å; Y1007-W1067 AromaticContact CE1-CG 3.85Å; Y1007-W1067 HydrophobicContact CE1-CG 3.85Å
1008T89.5Confident86Confident1 Ų119.3 Ų19.31%0.00610%0.096CC..Hα-helixtrans-64.5-43.7174.3-57.70000111.2F860 V864 L897 L900 F1004 V1005 L1006 L1011 S1012F860-T1008 HydrophobicContact CZ-CG2 4.11Å; V864-T1008 HydrophobicContact CG1-CG2 3.96Å; V864-T1008 HydrophobicContact CG2-CG2 4.17Å; L897-T1008 HydrophobicContact CD1-CG2 4.45Å; L900-T1008 HydrophobicContact CD1-CG2 4.15Å; F1004-T1008 WeakPolarHBondContact O-CB 3.17Å; F1004-T1008 PolarHBondContact O-N 2.78Å; F1004-T1008 PolarHBondContact O-OG1 3.43Å; V1005-T1008 PolarHBondContact O-N 2.84Å; L1006-T1008 VanDerWaalsContact C-N 3.33Å; L1006-T1008 PolarHBondContact O-N 2.81Å; T1008-L1011 PolarHBondContact O-N 2.74Å; T1008-S1012 PolarHBondContact O-N 3.48Å
1009V89.9Confident85.8Confident9 Ų917.8 Ų17.86%0.0559%0.091CC..Hα-helixtrans-61.2-45.7174.1172.60000110.5L900 V1005 L1006 L1011 S1012 A1013 W1033 V1040 L1041L900-V1009 HydrophobicContact CD1-CG2 4.03Å; L900-V1009 HydrophobicContact CD2-CG2 4.4Å; V1005-V1009 HydrophobicContact CG1-CG2 4.5Å; V1005-V1009 WeakPolarHBondContact O-CG2 3.07Å; V1005-V1009 PolarHBondContact O-N 3.26Å; L1006-V1009 PolarHBondContact O-N 3.17Å; V1009-L1011 PolarHBondContact O-N 3.09Å; V1009-S1012 WeakPolarHBondContact O-CB 3.34Å; V1009-S1012 PolarHBondContact O-N 3.07Å; V1009-S1012 VanDerWaalsContact O-N 3.16Å; V1009-S1012 PolarHBondContact O-OG 3.4Å; V1009-A1013 PolarHBondContact O-N 3.26Å; V1009-A1013 VanDerWaalsContact O-N 3.14Å; V1009-W1033 HydrophobicContact CG1-CZ2 4.25Å; V1009-V1040 HydrophobicContact CG2-CG1 4.11Å; V1009-L1041 HydrophobicContact CG1-CD1 4.25Å; V1009-L1041 HydrophobicContact CG2-CD2 4.21Å; V1009-L1041 HydrophobicContact CG2-CG 4.36Å
1010A87.4Confident85.8Confident23 Ų2317.1 Ų17.119%0.199%0.087CC..Hα-helixtrans-68.1-34178.800000113.2L1006 Y1007 A1013 W1067 I1071L1006-A1010 PolarHBondContact O-N 2.97Å; Y1007-A1010 PolarHBondContact O-N 3.02Å; A1010-A1013 WeakPolarHBondContact O-CB 3.24Å; A1010-A1013 PolarHBondContact O-N 2.99Å; A1010-W1067 HydrophobicContact CB-CZ2 3.43Å; A1010-W1067 VanDerWaalsContact CB-CZ2 3.43Å; A1010-I1071 HydrophobicContact CB-CD1 4.36Å
1011L89Confident85.8Confident0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-62-43.9169.6-78.9167.3000110.6F860 L867 K940 F941 T944 Y1007 T1008 V1009 A1013 S1014 H1015 W1067F860-L1011 HydrophobicContact CE2-CB 3.96Å; L867-L1011 HydrophobicContact CD2-CD1 4.13Å; K940-L1011 HydrophobicContact CG-CD2 4.45Å; F941-L1011 HydrophobicContact CD1-CD1 3.89Å; F941-L1011 HydrophobicContact CD1-CD2 4.21Å; F941-L1011 HydrophobicContact CE1-CD1 4.16Å; F941-L1011 HydrophobicContact CE1-CD2 4.25Å; T944-L1011 HydrophobicContact CG2-CD1 4.28Å; Y1007-L1011 WeakPolarHBondContact O-CB 3.47Å; Y1007-L1011 WeakPolarHBondContact O-CG 3.05Å; Y1007-L1011 PolarHBondContact O-N 3.31Å; T1008-L1011 PolarHBondContact O-N 2.74Å; V1009-L1011 PolarHBondContact O-N 3.09Å; L1011-A1013 PolarHBondContact O-N 3.15Å; L1011-S1014 WeakPolarHBondContact O-CB 3.34Å; L1011-S1014 PolarHBondContact O-N 3.39Å; L1011-S1014 VanDerWaalsContact O-N 3.11Å; L1011-S1014 PolarHBondContact O-OG 2.57Å; L1011-H1015 PolarHBondContact O-CD2 3.04Å; L1011-W1067 HydrophobicContact CD2-CH2 3.59Å; L1011-W1067 HydrophobicContact CD2-CZ3 4.37Å; L1011-W1067 HydrophobicContact CG-CH2 3.66Å; L1011-W1067 HydrophobicContact CG-CZ2 4.19Å
1012S90.9Very high85.4Confident0 Ų020.5 Ų20.50%010%0.103CC..Hα-helixtrans-60.4-33.2179.981.20000112.6T1008 V1009 S1014 H1015 V1016 W1033T1008-S1012 PolarHBondContact O-N 3.48Å; V1009-S1012 WeakPolarHBondContact O-CB 3.34Å; V1009-S1012 PolarHBondContact O-N 3.07Å; V1009-S1012 VanDerWaalsContact O-N 3.16Å; V1009-S1012 PolarHBondContact O-OG 3.4Å; S1012-S1014 PolarHBondContact O-N 3.15Å; S1012-S1014 VanDerWaalsContact O-N 3.15Å; S1012-H1015 PolarHBondContact O-N 3.15Å; S1012-V1016 PolarHBondContact O-N 3.4Å; S1012-W1033 PolarHBondContact OG-NE1 3.31Å
1013A88.2Confident85.2Confident17 Ų1728.1 Ų28.114%0.1413%0.13CC..Hα-helixtrans-56.3-33.5176.900000112.6V1009 A1010 L1011 H1015 P1027 W1033V1009-A1013 PolarHBondContact O-N 3.26Å; V1009-A1013 VanDerWaalsContact O-N 3.14Å; A1010-A1013 WeakPolarHBondContact O-CB 3.24Å; A1010-A1013 PolarHBondContact O-N 2.99Å; L1011-A1013 PolarHBondContact O-N 3.15Å; A1013-H1015 VanDerWaalsContact C-N 3.25Å; A1013-H1015 PolarHBondContact O-N 2.94Å; A1013-P1027 HydrophobicContact CB-CB 4.19Å; A1013-P1027 HydrophobicContact CB-CG 4.05Å; A1013-W1033 HydrophobicContact CB-CH2 3.77Å; A1013-W1033 HydrophobicContact CB-CZ2 3.57Å
1014S86.7Confident85.1Confident1 Ų134.5 Ų34.51%0.00716%0.158CC..Hα-helixtrans-72.9-15.7177.476.70000114K940 L1011 S1012 I1071 K1075K940-S1014 WeakPolarHBondContact CE-OG 3.37Å; K940-S1014 PolarHBondContact NZ-OG 2.84Å; L1011-S1014 WeakPolarHBondContact O-CB 3.34Å; L1011-S1014 PolarHBondContact O-N 3.39Å; L1011-S1014 VanDerWaalsContact O-N 3.11Å; L1011-S1014 PolarHBondContact O-OG 2.57Å; S1012-S1014 PolarHBondContact O-N 3.15Å; S1012-S1014 VanDerWaalsContact O-N 3.15Å; S1014-I1071 VanDerWaalsContact CB-CG2 3.48Å; S1014-K1075 WeakPolarHBondContact O-CE 3.48Å; S1014-K1075 PolarHBondContact O-NZ 3.39Å
1015H86.1Confident84.8Confident4 Ų437.1 Ų37.12%0.01917%0.167CC..Hα-helixtrans-99.3-16.4-177.7-71.1-84.5000113.2I856 F860 L904 K940 F941 L1011 S1012 A1013I856-H1015 HydrophobicContact CG2-CB 3.92Å; F860-H1015 AromaticContact CD2-CD2 3.48Å; F860-H1015 VanDerWaalsContact CD2-CD2 3.48Å; F860-H1015 WeakPolarHBondContact CD2-CD2 3.12Å; F860-H1015 AromaticContact CD2-NE2 3.77Å; L904-H1015 HydrophobicContact CD1-CB 3.91Å; L904-H1015 HydrophobicContact CD2-CB 3.86Å; K940-H1015 PolarHBondContact NZ-CE1 2.94Å; K940-H1015 VanDerWaalsContact NZ-CE1 3.27Å; K940-H1015 PolarHBondContact NZ-NE2 2.92Å; F941-H1015 AromaticContact CZ-NE2 3.61Å; L1011-H1015 PolarHBondContact O-CD2 3.04Å; S1012-H1015 PolarHBondContact O-N 3.15Å; A1013-H1015 VanDerWaalsContact C-N 3.25Å; A1013-H1015 PolarHBondContact O-N 2.94Å
1016V84.8Confident84.6Confident7 Ų740.7 Ų40.74%0.04219%0.189CC..Hα-helixtrans-57.3-53.5179-179.90000111.5L904 S1012 P1027 W1033L904-V1016 HydrophobicContact CD2-CB 4.42Å; L904-V1016 HydrophobicContact CD2-CG2 3.87Å; S1012-V1016 PolarHBondContact O-N 3.4Å; V1016-P1027 HydrophobicContact CB-CB 4.38Å; V1016-P1027 HydrophobicContact CG2-CB 4.26Å; V1016-W1033 HydrophobicContact CG2-CB 4.17Å; V1016-W1033 HydrophobicContact CG2-CD2 3.79Å; V1016-W1033 HydrophobicContact CG2-CG 3.54Å
1017F83.5Confident84.5Confident16 Ų1637.3 Ų37.37%0.0717%0.172CC..SBendtrans-108.396172.7-61.5-63.7000109.1P908 Y1019 E1020 R1025 V1026 R1029 K1075P908-F1017 HydrophobicContact CG-CE1 4.26Å; F1017-Y1019 PolarHBondContact O-N 3Å; F1017-E1020 HydrophobicContact CB-CB 4.25Å; F1017-R1025 HydrophobicContact CD1-CG 4.47Å; F1017-R1025 HydrophobicContact CD2-CB 4.18Å; F1017-R1025 HydrophobicContact CD2-CG 3.8Å; F1017-R1025 HydrophobicContact CE1-CG 4.43Å; F1017-R1025 VanDerWaalsContact CE1-CZ 3.43Å; F1017-R1025 VanDerWaalsContact CE1-NE 3.31Å; F1017-R1025 HydrophobicContact CE2-CG 3.74Å; F1017-R1025 HydrophobicContact CG-CB 4.46Å; F1017-R1025 HydrophobicContact CG-CG 4.19Å; F1017-R1025 HydrophobicContact CZ-CG 4.07Å; F1017-V1026 WeakPolarHBondContact CE2-O 3.5Å; F1017-R1029 HydrophobicContact CE2-CB 4.46Å; F1017-R1029 HydrophobicContact CZ-CB 4.48Å; F1017-K1075 WeakPolarHBondContact O-CE 3.36Å; F1017-K1075 PolarHBondContact O-NZ 3.16Å
1018Y78.4Confident84.4Confident53 Ų5342.9 Ų42.921%0.20820%0.197CC..SBendtrans-68.8-36.7-169.1-174.1-108000114.1I856 K1075 E1078 F1082I856-Y1018 VanDerWaalsContact CD1-CB 3.43Å; I856-Y1018 HydrophobicContact CD1-CD1 3.85Å; I856-Y1018 HydrophobicContact CD1-CD2 3.9Å; I856-Y1018 HydrophobicContact CD1-CG 3.43Å; I856-Y1018 VanDerWaalsContact CD1-CG 3.43Å; I856-Y1018 HydrophobicContact CG1-CD1 4.24Å; I856-Y1018 HydrophobicContact CG1-CD2 3.81Å; I856-Y1018 HydrophobicContact CG1-CE2 4.25Å; I856-Y1018 HydrophobicContact CG1-CG 3.84Å; I856-Y1018 HydrophobicContact CG2-CD2 4.12Å; Y1018-K1075 VanDerWaalsContact C-NZ 3.26Å; Y1018-K1075 VanDerWaalsContact CA-NZ 3.31Å; Y1018-K1075 WeakPolarHBondContact O-CE 3.36Å; Y1018-K1075 PolarHBondContact O-NZ 3.46Å; Y1018-E1078 WeakPolarHBondContact CE2-OE1 3.06Å; Y1018-E1078 VanDerWaalsContact CZ-OE1 3.3Å; Y1018-E1078 PolarHBondContact OH-OE1 2.86Å; Y1018-F1082 HydrophobicContact CE1-CD2 4.46Å
1019Y77Confident84.2Confident51 Ų5151.5 Ų51.520%0.223%0.229CC..SBendtrans-96.6-10.9-177.8-59.4-50.2000114.9L852 L916 F1017 F1082L852-Y1019 WeakPolarHBondContact CD1-OH 3.28Å; L852-Y1019 HydrophobicContact CD2-CE2 3.39Å; L852-Y1019 WeakPolarHBondContact CD2-OH 3.43Å; L916-Y1019 WeakPolarHBondContact CD1-OH 3.23Å; F1017-Y1019 PolarHBondContact O-N 3Å; Y1019-F1082 AromaticContact CD1-CD1 3.54Å; Y1019-F1082 HydrophobicContact CD1-CD1 3.54Å; Y1019-F1082 HydrophobicContact CD1-CD2 4.49Å; Y1019-F1082 AromaticContact CD1-CE1 3.32Å; Y1019-F1082 HydrophobicContact CD1-CE1 3.32Å; Y1019-F1082 HydrophobicContact CD1-CE2 4.32Å; Y1019-F1082 HydrophobicContact CD1-CG 4.14Å; Y1019-F1082 AromaticContact CD1-CZ 3.75Å; Y1019-F1082 HydrophobicContact CD1-CZ 3.75Å; Y1019-F1082 AromaticContact CE1-CD1 3.53Å; Y1019-F1082 HydrophobicContact CE1-CD1 3.53Å; Y1019-F1082 AromaticContact CE1-CD2 3.76Å; Y1019-F1082 HydrophobicContact CE1-CD2 3.76Å; Y1019-F1082 AromaticContact CE1-CE1 3.08Å; Y1019-F1082 HydrophobicContact CE1-CE1 3.08Å; Y1019-F1082 AromaticContact CE1-CE2 3.33Å; Y1019-F1082 HydrophobicContact CE1-CE2 3.33Å; Y1019-F1082 AromaticContact CE1-CG 3.85Å; Y1019-F1082 HydrophobicContact CE1-CG 3.85Å; Y1019-F1082 AromaticContact CE1-CZ 2.96Å; Y1019-F1082 HydrophobicContact CE1-CZ 2.96Å; Y1019-F1082 HydrophobicContact CE2-CZ 4.38Å; Y1019-F1082 HydrophobicContact CG-CE1 4.24Å; Y1019-F1082 AromaticContact CZ-CE1 3.81Å; Y1019-F1082 AromaticContact CZ-CE2 3.82Å; Y1019-F1082 AromaticContact CZ-CZ 3.35Å; Y1019-F1082 WeakPolarHBondContact OH-CZ 3.38Å
1020E79.7Confident83.9Confident23 Ų2351.3 Ų51.311%0.10723%0.228CC..SBendtrans-103.5146-177.3-57.3-157.511900111.1H910 F1017 K1024 R1025 K1075H910-E1020 IonicContact NE2-OE1 3.95Å; F1017-E1020 HydrophobicContact CB-CB 4.25Å; E1020-K1024 IonicContact OE1-NZ 3.81Å; E1020-K1024 PolarHBondContact OE1-NZ 3.14Å; E1020-R1025 HydrophobicContact CB-CB 4.38Å; E1020-R1025 VanDerWaalsContact OE2-CB 3.23Å; E1020-R1025 WeakPolarHBondContact OE2-CB 3.46Å; E1020-R1025 WeakPolarHBondContact OE2-CD 3.47Å; E1020-R1025 IonicContact OE2-NH1 3.72Å; E1020-K1075 VanDerWaalsContact O-CE 3.23Å; E1020-K1075 WeakPolarHBondContact O-CE 3.42Å
1021H83.5Confident83.7Confident45 Ų4556 Ų5621%0.20826%0.255CS..  trans-71144.4173.6-160.9-86.8000109.6W1023 K1024 R1025 A1072 I1079H1021-W1023 AromaticContact CE1-CD1 3.11Å; H1021-W1023 AromaticContact CE1-NE1 3.63Å; H1021-W1023 AromaticContact ND1-CD1 3.2Å; H1021-W1023 AromaticContact ND1-CG 3.79Å; H1021-W1023 PolarHBondContact ND1-N 3.47Å; H1021-W1023 PolarHBondContact O-N 2.87Å; H1021-W1023 VanDerWaalsContact O-N 3.11Å; H1021-K1024 HydrophobicContact CB-CB 4.49Å; H1021-K1024 WeakPolarHBondContact O-CB 3.33Å; H1021-K1024 PolarHBondContact O-N 2.93Å; H1021-R1025 PolarHBondContact O-N 3.4Å; H1021-A1072 PolarHBondContact NE2-O 3.44Å; H1021-A1072 VanDerWaalsContact NE2-O 3.15Å; H1021-I1079 HydrophobicContact CB-CD1 4.28Å
1022I80.3Confident83.5Confident37 Ų3757.8 Ų57.819%0.1927%0.267CS..THydrogen-bonded Turntrans-55.1-35.1-176.1-65.6165.6000112.1R1025 I1071I1022-R1025 CarbonylContact O-C 3.56Å; I1022-I1071 HydrophobicContact CD1-CB 4.49Å; I1022-I1071 HydrophobicContact CD1-CG2 3.81Å
1023W79.2Confident83.5Confident176 Ų17658.2 Ų58.267%0.66727%0.269SS*.THydrogen-bonded Turntrans-74.6-25.8176.8-55.3122.6000114.5H1021 Y1068H1021-W1023 AromaticContact CE1-CD1 3.11Å; H1021-W1023 AromaticContact CE1-NE1 3.63Å; H1021-W1023 AromaticContact ND1-CD1 3.2Å; H1021-W1023 AromaticContact ND1-CG 3.79Å; H1021-W1023 PolarHBondContact ND1-N 3.47Å; H1021-W1023 PolarHBondContact O-N 2.87Å; H1021-W1023 VanDerWaalsContact O-N 3.11Å; W1023-Y1068 HydrophobicContact CH2-CD2 4.35Å; W1023-Y1068 HydrophobicContact CH2-CE2 4.47Å; W1023-Y1068 HydrophobicContact CZ2-CD2 4.34Å
1024K82.9Confident83.6Confident157 Ų15759.6 Ų59.668%0.68328%0.276SS*.THydrogen-bonded Turntrans-77.7-43.4178.5-170.9-171177.1-150.30110.3E1020 H1021E1020-K1024 IonicContact OE1-NZ 3.81Å; E1020-K1024 PolarHBondContact OE1-NZ 3.14Å; H1021-K1024 HydrophobicContact CB-CB 4.49Å; H1021-K1024 WeakPolarHBondContact O-CB 3.33Å; H1021-K1024 PolarHBondContact O-N 2.93Å
1025R81.9Confident83.8Confident54 Ų5462.1 Ų62.120%0.20430%0.297CS..SBendtrans-136.4109176.4-165.7171.8-179.1176.8-0.5109.8F1017 E1020 H1021 I1022F1017-R1025 HydrophobicContact CD1-CG 4.47Å; F1017-R1025 HydrophobicContact CD2-CB 4.18Å; F1017-R1025 HydrophobicContact CD2-CG 3.8Å; F1017-R1025 HydrophobicContact CE1-CG 4.43Å; F1017-R1025 VanDerWaalsContact CE1-CZ 3.43Å; F1017-R1025 VanDerWaalsContact CE1-NE 3.31Å; F1017-R1025 HydrophobicContact CE2-CG 3.74Å; F1017-R1025 HydrophobicContact CG-CB 4.46Å; F1017-R1025 HydrophobicContact CG-CG 4.19Å; F1017-R1025 HydrophobicContact CZ-CG 4.07Å; E1020-R1025 HydrophobicContact CB-CB 4.38Å; E1020-R1025 VanDerWaalsContact OE2-CB 3.23Å; E1020-R1025 WeakPolarHBondContact OE2-CB 3.46Å; E1020-R1025 WeakPolarHBondContact OE2-CD 3.47Å; E1020-R1025 IonicContact OE2-NH1 3.72Å; H1021-R1025 PolarHBondContact O-N 3.4Å; I1022-R1025 CarbonylContact O-C 3.56Å
1026V85.4Confident84Confident76 Ų7663.6 Ų63.646%0.46131%0.306SS..  trans-68.8139.8-179.2-66.70000111F1017 F1028 R1029F1017-V1026 WeakPolarHBondContact CE2-O 3.5Å; V1026-F1028 PolarHBondContact O-N 2.92Å; V1026-R1029 WeakPolarHBondContact O-CB 3.41Å; V1026-R1029 PolarHBondContact O-N 3.18Å
1027P83.6Confident84.4Confident10 Ų1063.6 Ų63.67%0.06531%0.306CS..G310 helixtrans-63.6-26.7-177.127.1-36.3000112.6A1013 V1016 R1029 S1030 W1033A1013-P1027 HydrophobicContact CB-CB 4.19Å; A1013-P1027 HydrophobicContact CB-CG 4.05Å; V1016-P1027 HydrophobicContact CB-CB 4.38Å; V1016-P1027 HydrophobicContact CG2-CB 4.26Å; P1027-R1029 PolarHBondContact O-N 2.91Å; P1027-S1030 PolarHBondContact O-N 3.18Å; P1027-W1033 HydrophobicContact CB-CE3 4.01Å; P1027-W1033 HydrophobicContact CB-CH2 4.15Å; P1027-W1033 HydrophobicContact CB-CZ3 3.77Å; P1027-W1033 HydrophobicContact CG-CH2 4.27Å; P1027-W1033 HydrophobicContact CG-CZ3 4.09Å
1028F85Confident84.7Confident141 Ų14164.2 Ų64.262%0.61832%0.317SS*.G310 helixtrans-61.3-12.3177.2-59.1-66.1000114.6V1026 S1030 W1033 T1034V1026-F1028 PolarHBondContact O-N 2.92Å; F1028-S1030 VanDerWaalsContact C-N 3.25Å; F1028-S1030 PolarHBondContact O-N 2.88Å; F1028-W1033 AromaticContact CD1-CZ3 3.94Å; F1028-W1033 HydrophobicContact CD1-CZ3 3.94Å; F1028-W1033 HydrophobicContact CE1-CH2 4.45Å; F1028-W1033 AromaticContact CE1-CZ3 3.96Å; F1028-W1033 HydrophobicContact CE1-CZ3 3.96Å; F1028-T1034 VanDerWaalsContact CA-OG1 3.3Å; F1028-T1034 WeakPolarHBondContact CA-OG1 3.25Å; F1028-T1034 HydrophobicContact CD1-CG2 4.07Å; F1028-T1034 PolarHBondContact O-OG1 3.45Å
1029R83.8Confident85.4Confident181 Ų18166.2 Ų66.268%0.68333%0.33SS*.G310 helixtrans-73.4-18.9174.5-165.6169.4179.2167.32112.8F1017 V1026 P1027 T1031F1017-R1029 HydrophobicContact CE2-CB 4.46Å; F1017-R1029 HydrophobicContact CZ-CB 4.48Å; V1026-R1029 WeakPolarHBondContact O-CB 3.41Å; V1026-R1029 PolarHBondContact O-N 3.18Å; P1027-R1029 PolarHBondContact O-N 2.91Å; R1029-T1031 PolarHBondContact O-N 2.88Å
1030S83.9Confident86Confident5 Ų564.4 Ų64.44%0.03532%0.324CS..  trans-82.5108.9170.3-179.90000109P1027 F1028 S1032 W1033 T1034P1027-S1030 PolarHBondContact O-N 3.18Å; F1028-S1030 VanDerWaalsContact C-N 3.25Å; F1028-S1030 PolarHBondContact O-N 2.88Å; S1030-S1032 VanDerWaalsContact C-N 3.31Å; S1030-S1032 PolarHBondContact O-N 3.47Å; S1030-S1032 PolarHBondContact OG-OG 2.69Å; S1030-W1033 PolarHBondContact O-N 3.04Å; S1030-W1033 PolarHBondContact OG-N 3.08Å; S1030-T1034 WeakPolarHBondContact O-CB 3.17Å; S1030-T1034 PolarHBondContact O-N 3.47Å; S1030-T1034 PolarHBondContact O-OG1 2.7Å
1031T84.4Confident86.4Confident122 Ų12266.2 Ų66.275%0.74834%0.335SS*.Hα-helixtrans-61.2-41.4-179.548.60000111.5R1029 T1034 A1035R1029-T1031 PolarHBondContact O-N 2.88Å; T1031-T1034 PolarHBondContact O-N 2.81Å; T1031-A1035 WeakPolarHBondContact O-CB 3.44Å; T1031-A1035 PolarHBondContact O-N 3.47Å
1032S84.9Confident86.6Confident37 Ų3769.8 Ų69.826%0.25936%0.355SS..Hα-helixtrans-62.6-51178.756.60000112.1S1030 T1034 A1035 V1036S1030-S1032 VanDerWaalsContact C-N 3.31Å; S1030-S1032 PolarHBondContact O-N 3.47Å; S1030-S1032 PolarHBondContact OG-OG 2.69Å; S1032-T1034 VanDerWaalsContact C-N 3.35Å; S1032-T1034 PolarHBondContact O-N 2.84Å; S1032-A1035 PolarHBondContact O-N 3.49Å; S1032-V1036 WeakPolarHBondContact O-CG2 3.38Å; S1032-V1036 PolarHBondContact O-N 2.92Å
1033W89.5Confident87Confident9 Ų971.1 Ų71.13%0.03436%0.362CS..Hα-helixtrans-63.4-41.3178.5-179.484.7000111.9V1009 S1012 A1013 V1016 P1027 F1028 S1030 S1037V1009-W1033 HydrophobicContact CG1-CZ2 4.25Å; S1012-W1033 PolarHBondContact OG-NE1 3.31Å; A1013-W1033 HydrophobicContact CB-CH2 3.77Å; A1013-W1033 HydrophobicContact CB-CZ2 3.57Å; V1016-W1033 HydrophobicContact CG2-CB 4.17Å; V1016-W1033 HydrophobicContact CG2-CD2 3.79Å; V1016-W1033 HydrophobicContact CG2-CG 3.54Å; P1027-W1033 HydrophobicContact CB-CE3 4.01Å; P1027-W1033 HydrophobicContact CB-CH2 4.15Å; P1027-W1033 HydrophobicContact CB-CZ3 3.77Å; P1027-W1033 HydrophobicContact CG-CH2 4.27Å; P1027-W1033 HydrophobicContact CG-CZ3 4.09Å; F1028-W1033 AromaticContact CD1-CZ3 3.94Å; F1028-W1033 HydrophobicContact CD1-CZ3 3.94Å; F1028-W1033 HydrophobicContact CE1-CH2 4.45Å; F1028-W1033 AromaticContact CE1-CZ3 3.96Å; F1028-W1033 HydrophobicContact CE1-CZ3 3.96Å; S1030-W1033 PolarHBondContact O-N 3.04Å; S1030-W1033 PolarHBondContact OG-N 3.08Å; W1033-S1037 WeakPolarHBondContact O-CB 3.29Å; W1033-S1037 PolarHBondContact O-N 2.91Å; W1033-S1037 PolarHBondContact O-OG 3.04Å
1034T90.9Very high87.2Confident46 Ų4663.1 Ų63.128%0.28233%0.332SS..Hα-helixtrans-65.8-42.5-179.5-51.20000111.6F1028 S1030 T1031 S1032 S1037 G1038F1028-T1034 VanDerWaalsContact CA-OG1 3.3Å; F1028-T1034 WeakPolarHBondContact CA-OG1 3.25Å; F1028-T1034 HydrophobicContact CD1-CG2 4.07Å; F1028-T1034 PolarHBondContact O-OG1 3.45Å; S1030-T1034 WeakPolarHBondContact O-CB 3.17Å; S1030-T1034 PolarHBondContact O-N 3.47Å; S1030-T1034 PolarHBondContact O-OG1 2.7Å; T1031-T1034 PolarHBondContact O-N 2.81Å; S1032-T1034 VanDerWaalsContact C-N 3.35Å; S1032-T1034 PolarHBondContact O-N 2.84Å; T1034-S1037 PolarHBondContact O-OG 3.05Å; T1034-G1038 PolarHBondContact O-N 3.2Å
1035A91.2Very high86.9Confident54 Ų5460.2 Ų60.245%0.44632%0.323SS..Hα-helixtrans-63.9-50.4176.700000111.6T1031 S1032 G1038 I1039T1031-A1035 WeakPolarHBondContact O-CB 3.44Å; T1031-A1035 PolarHBondContact O-N 3.47Å; S1032-A1035 PolarHBondContact O-N 3.49Å; A1035-G1038 PolarHBondContact O-N 2.88Å; A1035-I1039 VanDerWaalsContact O-CG1 3.3Å; A1035-I1039 WeakPolarHBondContact O-CG1 3.15Å; A1035-I1039 PolarHBondContact O-N 3.48Å
1036V91.2Very high86.6Confident36 Ų3661.1 Ų61.122%0.21834%0.337CS..Hα-helixtrans-68-43.2-177.61750000111.8P899 T903 S1032 G1038 I1039 V1040P899-V1036 HydrophobicContact CB-CG1 3.59Å; T903-V1036 HydrophobicContact CG2-CB 3.71Å; T903-V1036 HydrophobicContact CG2-CG1 4.2Å; T903-V1036 HydrophobicContact CG2-CG2 3.52Å; S1032-V1036 WeakPolarHBondContact O-CG2 3.38Å; S1032-V1036 PolarHBondContact O-N 2.92Å; V1036-G1038 VanDerWaalsContact C-N 3.3Å; V1036-G1038 PolarHBondContact O-N 3.45Å; V1036-I1039 PolarHBondContact O-N 3.37Å; V1036-V1040 HydrophobicContact CG1-CG2 4.23Å; V1036-V1040 WeakPolarHBondContact O-CB 3.26Å; V1036-V1040 VanDerWaalsContact O-CG2 3.28Å; V1036-V1040 WeakPolarHBondContact O-CG2 3.38Å; V1036-V1040 PolarHBondContact O-N 3.28Å
1037S91.6Very high85.9Confident7 Ų762.2 Ų62.25%0.04934%0.336CS..Hα-helixtrans-62.4-38.7175.558.90000111.8W1033 T1034 L1041W1033-S1037 WeakPolarHBondContact O-CB 3.29Å; W1033-S1037 PolarHBondContact O-N 2.91Å; W1033-S1037 PolarHBondContact O-OG 3.04Å; T1034-S1037 PolarHBondContact O-OG 3.05Å; S1037-L1041 WeakPolarHBondContact O-CB 3.35Å; S1037-L1041 VanDerWaalsContact O-CG 3.23Å; S1037-L1041 WeakPolarHBondContact O-CG 3.3Å; S1037-L1041 PolarHBondContact O-N 3.13Å
1038G91.2Very high85.1Confident28 Ų2862.2 Ų62.229%0.28934%0.336SS..Hα-helixtrans-59.9-49.9171.800000112.4T1034 A1035 V1036 L1041 L1042T1034-G1038 PolarHBondContact O-N 3.2Å; A1035-G1038 PolarHBondContact O-N 2.88Å; V1036-G1038 VanDerWaalsContact C-N 3.3Å; V1036-G1038 PolarHBondContact O-N 3.45Å; G1038-L1041 PolarHBondContact O-N 2.81Å; G1038-L1042 WeakPolarHBondContact O-CB 3.27Å; G1038-L1042 VanDerWaalsContact O-CG 3.24Å; G1038-L1042 WeakPolarHBondContact O-CG 3.44Å; G1038-L1042 PolarHBondContact O-N 3.24Å
1039I91.9Very high84Confident95 Ų9560.6 Ų60.649%0.48733%0.333SS..Hα-helixtrans-60.9-46.7177.9-68.7164.6000111.1A1035 V1036 L1041 L1042 I1043A1035-I1039 VanDerWaalsContact O-CG1 3.3Å; A1035-I1039 WeakPolarHBondContact O-CG1 3.15Å; A1035-I1039 PolarHBondContact O-N 3.48Å; V1036-I1039 PolarHBondContact O-N 3.37Å; I1039-L1041 VanDerWaalsContact C-N 3.33Å; I1039-L1041 PolarHBondContact O-N 2.86Å; I1039-L1042 PolarHBondContact O-N 3.01Å; I1039-I1043 HydrophobicContact CG2-CD1 3.7Å; I1039-I1043 HydrophobicContact CG2-CG1 4.34Å; I1039-I1043 VanDerWaalsContact O-CG1 3.32Å; I1039-I1043 WeakPolarHBondContact O-CG1 3.43Å; I1039-I1043 PolarHBondContact O-N 3.4Å
1040V90.6Very high82.6Confident13 Ų1358.6 Ų58.68%0.07934%0.335CS..Hα-helixtrans-59.4-45177.8165.80000110.9V896 V1005 V1009 V1036 Q1044V896-V1040 HydrophobicContact CG1-CG1 3.86Å; V896-V1040 HydrophobicContact CG2-CG1 4.32Å; V1005-V1040 HydrophobicContact CG1-CG1 3.79Å; V1009-V1040 HydrophobicContact CG2-CG1 4.11Å; V1036-V1040 HydrophobicContact CG1-CG2 4.23Å; V1036-V1040 WeakPolarHBondContact O-CB 3.26Å; V1036-V1040 VanDerWaalsContact O-CG2 3.28Å; V1036-V1040 WeakPolarHBondContact O-CG2 3.38Å; V1036-V1040 PolarHBondContact O-N 3.28Å; V1040-Q1044 WeakPolarHBondContact O-CB 3.49Å; V1040-Q1044 PolarHBondContact O-N 3.04Å
1041L88.4Confident81.3Confident62 Ų6258.8 Ų58.833%0.32534%0.336SS..Hα-helixtrans-68.8-35.7178.1-70.8174.1000112.3L1006 V1009 S1037 G1038 I1039 Q1044 L1045L1006-L1041 HydrophobicContact CD1-CD2 4.01Å; V1009-L1041 HydrophobicContact CG1-CD1 4.25Å; V1009-L1041 HydrophobicContact CG2-CD2 4.21Å; V1009-L1041 HydrophobicContact CG2-CG 4.36Å; S1037-L1041 WeakPolarHBondContact O-CB 3.35Å; S1037-L1041 VanDerWaalsContact O-CG 3.23Å; S1037-L1041 WeakPolarHBondContact O-CG 3.3Å; S1037-L1041 PolarHBondContact O-N 3.13Å; G1038-L1041 PolarHBondContact O-N 2.81Å; I1039-L1041 VanDerWaalsContact C-N 3.33Å; I1039-L1041 PolarHBondContact O-N 2.86Å; L1041-Q1044 PolarHBondContact O-N 3.14Å; L1041-L1045 WeakPolarHBondContact O-CB 3.36Å; L1041-L1045 PolarHBondContact O-N 3.46Å
1042L87.9Confident79.9Confident120 Ų12057.1 Ų57.163%0.62832%0.322SS*.Hα-helixtrans-66.6-45.1175.3-75.5170.2000112G1038 I1039 Q1044 L1045 S1046G1038-L1042 WeakPolarHBondContact O-CB 3.27Å; G1038-L1042 VanDerWaalsContact O-CG 3.24Å; G1038-L1042 WeakPolarHBondContact O-CG 3.44Å; G1038-L1042 PolarHBondContact O-N 3.24Å; I1039-L1042 PolarHBondContact O-N 3.01Å; L1042-Q1044 VanDerWaalsContact C-N 3.3Å; L1042-Q1044 PolarHBondContact O-N 2.86Å; L1042-L1045 WeakPolarHBondContact O-CB 3.36Å; L1042-L1045 PolarHBondContact O-N 3.09Å; L1042-S1046 PolarHBondContact O-N 3.38Å; L1042-S1046 VanDerWaalsContact O-N 3.08Å
1043I87Confident78.5Confident65 Ų6561.2 Ų61.233%0.33335%0.349SS..Hα-helixtrans-62.2-42.1173.8-66.7168.9000109.6W891 I1039 L1045 S1046 F1047W891-I1043 HydrophobicContact CZ2-CG2 3.88Å; I1039-I1043 HydrophobicContact CG2-CD1 3.7Å; I1039-I1043 HydrophobicContact CG2-CG1 4.34Å; I1039-I1043 VanDerWaalsContact O-CG1 3.32Å; I1039-I1043 WeakPolarHBondContact O-CG1 3.43Å; I1039-I1043 PolarHBondContact O-N 3.4Å; I1043-L1045 VanDerWaalsContact C-N 3.31Å; I1043-L1045 PolarHBondContact O-N 2.77Å; I1043-S1046 PolarHBondContact O-N 2.9Å; I1043-S1046 PolarHBondContact O-OG 2.86Å; I1043-F1047 HydrophobicContact CG2-CD2 4.07Å; I1043-F1047 HydrophobicContact CG2-CE2 3.68Å; I1043-F1047 WeakPolarHBondContact O-CD2 3.31Å; I1043-F1047 PolarHBondContact O-N 3.44Å
1044Q84.3Confident76.7Confident8 Ų870.3 Ų70.34%0.03738%0.384CS..Hα-helixtrans-66.4-35.7176.7-168.960.628.700112.2S1002 V1005 V1040 L1041 L1042 S1046 F1047 C1048S1002-Q1044 PolarHBondContact OG-NE2 3.48Å; V1005-Q1044 HydrophobicContact CB-CG 4Å; V1005-Q1044 HydrophobicContact CG1-CB 4.1Å; V1005-Q1044 HydrophobicContact CG1-CG 4.03Å; V1005-Q1044 HydrophobicContact CG2-CG 4.23Å; V1040-Q1044 WeakPolarHBondContact O-CB 3.49Å; V1040-Q1044 PolarHBondContact O-N 3.04Å; L1041-Q1044 PolarHBondContact O-N 3.14Å; L1042-Q1044 VanDerWaalsContact C-N 3.3Å; L1042-Q1044 PolarHBondContact O-N 2.86Å; Q1044-S1046 VanDerWaalsContact C-N 3.27Å; Q1044-S1046 PolarHBondContact O-N 3.22Å; Q1044-F1047 PolarHBondContact O-N 2.97Å; Q1044-C1048 WeakPolarHBondContact O-CB 3.07Å; Q1044-C1048 PolarHBondContact O-N 3.39Å; Q1044-C1048 VanDerWaalsContact O-N 3.15Å
1045L77Confident75Confident96 Ų9670 Ų7050%0.50338%0.384SS..Hα-helixtrans-59.6-42.1175.2-149.292.7000110.2L1041 L1042 I1043 F1047 C1048 I1049L1041-L1045 WeakPolarHBondContact O-CB 3.36Å; L1041-L1045 PolarHBondContact O-N 3.46Å; L1042-L1045 WeakPolarHBondContact O-CB 3.36Å; L1042-L1045 PolarHBondContact O-N 3.09Å; I1043-L1045 VanDerWaalsContact C-N 3.31Å; I1043-L1045 PolarHBondContact O-N 2.77Å; L1045-F1047 VanDerWaalsContact C-N 3.32Å; L1045-F1047 PolarHBondContact O-N 3.31Å; L1045-C1048 CarbonylContact O-C 3.6Å; L1045-C1048 WeakPolarHBondContact O-CA 3.05Å; L1045-C1048 WeakPolarHBondContact O-CB 3.35Å; L1045-C1048 PolarHBondContact O-N 2.83Å; L1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; L1045-I1049 PolarHBondContact O-N 3.28Å
1046S75.8Confident73.5Confident72 Ų7271.3 Ų71.350%0.50339%0.389SS..Hα-helixtrans-63.2-36178.778.80000112.8L1042 I1043 Q1044 C1048L1042-S1046 PolarHBondContact O-N 3.38Å; L1042-S1046 VanDerWaalsContact O-N 3.08Å; I1043-S1046 PolarHBondContact O-N 2.9Å; I1043-S1046 PolarHBondContact O-OG 2.86Å; Q1044-S1046 VanDerWaalsContact C-N 3.27Å; Q1044-S1046 PolarHBondContact O-N 3.22Å; S1046-C1048 PolarHBondContact O-N 3.15Å
1047F70.7Confident71.8Confident99 Ų9976.8 Ų76.843%0.43441%0.412SS..Hα-helixtrans-68.1-20.5170.6-73.3-69.5000113.7I1043 Q1044 L1045I1043-F1047 HydrophobicContact CG2-CD2 4.07Å; I1043-F1047 HydrophobicContact CG2-CE2 3.68Å; I1043-F1047 WeakPolarHBondContact O-CD2 3.31Å; I1043-F1047 PolarHBondContact O-N 3.44Å; Q1044-F1047 PolarHBondContact O-N 2.97Å; L1045-F1047 VanDerWaalsContact C-N 3.32Å; L1045-F1047 PolarHBondContact O-N 3.31Å
1048C66.1Low70Confident11 Ų1178.4 Ų78.47%0.07442%0.42CS..Hα-helixtrans-100.8-14.4-173.6-137.70000114.2S1002 Q1044 L1045 S1046 L1050 P1051 I1052S1002-C1048 VanDerWaalsContact CB-SG 3.51Å; S1002-C1048 PolarHBondContact OG-SG 2.88Å; Q1044-C1048 WeakPolarHBondContact O-CB 3.07Å; Q1044-C1048 PolarHBondContact O-N 3.39Å; Q1044-C1048 VanDerWaalsContact O-N 3.15Å; L1045-C1048 CarbonylContact O-C 3.6Å; L1045-C1048 WeakPolarHBondContact O-CA 3.05Å; L1045-C1048 WeakPolarHBondContact O-CB 3.35Å; L1045-C1048 PolarHBondContact O-N 2.83Å; S1046-C1048 PolarHBondContact O-N 3.15Å; C1048-L1050 PolarHBondContact O-N 3.37Å; C1048-L1050 VanDerWaalsContact O-N 3.16Å; C1048-P1051 WeakPolarHBondContact O-CD 3.41Å; C1048-P1051 WeakPolarHBondContact O-CG 3.34Å; C1048-I1052 HydrophobicContact CB-CD1 3.63Å; C1048-I1052 HydrophobicContact CB-CG1 4.3Å; C1048-I1052 WeakPolarHBondContact O-CD1 3.41Å; C1048-I1052 WeakPolarHBondContact O-CG1 3.07Å; C1048-I1052 PolarHBondContact O-N 3.01Å; C1048-I1052 VanDerWaalsContact O-N 3.14Å
1049I62Low68.4Low106 Ų10682 Ų8254%0.54443%0.432SS..THydrogen-bonded Turntrans-60.9-25.9-178.1-76.1165.3000112.6L1045L1045-I1049 WeakPolarHBondContact O-CG1 3.46Å; L1045-I1049 PolarHBondContact O-N 3.28Å
1050L54.2Low66.8Low140 Ų14085.2 Ų85.273%0.73344%0.438SS*.THydrogen-bonded Turntrans-73.4-43.1176.5-72.7165.6000114C1048C1048-L1050 PolarHBondContact O-N 3.37Å; C1048-L1050 VanDerWaalsContact O-N 3.16Å
1051P56.5Low65.1Low9 Ų990.8 Ų90.86%0.05847%0.467CS..THydrogen-bonded Turntrans-86.2-18176.727.4-36000116.8V995 L999 C1048 C1053 W1054V995-P1051 HydrophobicContact CG1-CB 3.9Å; L999-P1051 HydrophobicContact CD2-CB 4.29Å; L999-P1051 HydrophobicContact CD2-CG 4.44Å; L999-P1051 HydrophobicContact CG-CB 4.18Å; C1048-P1051 WeakPolarHBondContact O-CD 3.41Å; C1048-P1051 WeakPolarHBondContact O-CG 3.34Å; P1051-C1053 PolarHBondContact O-N 2.97Å; P1051-W1054 PolarHBondContact O-N 2.87Å
1052I55.2Low63.3Low87 Ų8789.4 Ų89.445%0.44646%0.459SS..G310 helixtrans-65.6-21.6-174.5-75.5166.5000113.6C1048 W1054C1048-I1052 HydrophobicContact CB-CD1 3.63Å; C1048-I1052 HydrophobicContact CB-CG1 4.3Å; C1048-I1052 WeakPolarHBondContact O-CD1 3.41Å; C1048-I1052 WeakPolarHBondContact O-CG1 3.07Å; C1048-I1052 PolarHBondContact O-N 3.01Å; C1048-I1052 VanDerWaalsContact O-N 3.14Å; I1052-W1054 PolarHBondContact O-N 3.33Å; I1052-W1054 VanDerWaalsContact O-N 3.14Å
1053C56.1Low61.8Low123 Ų12388.8 Ų88.883%0.83146%0.461SS*.G310 helixtrans-67-11.9177.4-72.40000114.4P1051P1051-C1053 PolarHBondContact O-N 2.97Å
1054W51.4Low60.3Low199 Ų19988.5 Ų88.575%0.75447%0.474SS*.G310 helixtrans-97.4-11.4-171.7-131-61.7000115.9P1051 I1052P1051-W1054 PolarHBondContact O-N 2.87Å; I1052-W1054 PolarHBondContact O-N 3.33Å; I1052-W1054 VanDerWaalsContact O-N 3.14Å
1055S55Low59Low41 Ų4192.7 Ų92.729%0.28750%0.495SS..  trans-160.8100.9-178.9-177.60000116.2Q1057 L1058S1055-Q1057 VanDerWaalsContact C-N 3.29Å; S1055-L1058 WeakPolarHBondContact OG-CD1 3.34Å; S1055-L1058 PolarHBondContact OG-N 2.72Å
1056S58.5Low58.4Low80 Ų8091.1 Ų91.156%0.55949%0.491SS*.Hα-helixtrans-77.7-11169.770.60000113.9R1060S1056-R1060 PolarHBondContact O-NE 3.14Å; S1056-R1060 PolarHBondContact OG-NH2 3.21Å; S1056-R1060 VanDerWaalsContact OG-NH2 3.13Å
1057Q56.8Low57.9Low151 Ų15189.7 Ų89.771%0.70648%0.475SS*.Hα-helixtrans-85.1-39.4-179-96.1171.5-33.700112.3S1055 R1060 L1061S1055-Q1057 VanDerWaalsContact C-N 3.29Å; Q1057-R1060 PolarHBondContact O-N 3.06Å; Q1057-L1061 PolarHBondContact O-N 3.26Å; Q1057-L1061 VanDerWaalsContact O-N 3.12Å
1058L54Low58Low41 Ų4191.3 Ų91.322%0.21548%0.479CS..Hα-helixtrans-68.4-35.5178.4-101.2119.2000112.8L951 L955 S1055 R1060 L1061 M1062L951-L1058 HydrophobicContact CD1-CD2 4.41Å; L955-L1058 HydrophobicContact CD2-CD1 4.37Å; L955-L1058 HydrophobicContact CD2-CD2 3.39Å; L955-L1058 HydrophobicContact CD2-CG 4.49Å; L955-L1058 HydrophobicContact CG-CD2 4.07Å; S1055-L1058 WeakPolarHBondContact OG-CD1 3.34Å; S1055-L1058 PolarHBondContact OG-N 2.72Å; L1058-R1060 VanDerWaalsContact C-N 3.3Å; L1058-R1060 PolarHBondContact O-N 2.87Å; L1058-L1061 PolarHBondContact O-N 2.91Å; L1058-M1062 PolarHBondContact O-N 3.37Å
1059L56.6Low58.4Low103 Ų10393.9 Ų93.954%0.53949%0.494SS..Hα-helixtrans-62.9-38.3174.9-168.567.9000111.5M1062 T1063L1059-M1062 PolarHBondContact O-N 3.12Å; L1059-T1063 PolarHBondContact O-N 3.06Å; L1059-T1063 VanDerWaalsContact O-N 3.14Å; L1059-T1063 PolarHBondContact O-OG1 3.28Å
1060R58.6Low59.3Low163 Ų16392.5 Ų92.562%0.61548%0.482SS*.Hα-helixtrans-71.5-36.9178.2-84.2-176.7-82.4-165.2-3.8113.8S1056 Q1057 L1058 M1062 T1063 G1064S1056-R1060 PolarHBondContact O-NE 3.14Å; S1056-R1060 PolarHBondContact OG-NH2 3.21Å; S1056-R1060 VanDerWaalsContact OG-NH2 3.13Å; Q1057-R1060 PolarHBondContact O-N 3.06Å; L1058-R1060 VanDerWaalsContact C-N 3.3Å; L1058-R1060 PolarHBondContact O-N 2.87Å; R1060-M1062 PolarHBondContact O-N 3.22Å; R1060-T1063 PolarHBondContact O-OG1 2.92Å; R1060-G1064 PolarHBondContact O-N 3.41Å
1061L54.4Low60.6Low131 Ų13186.2 Ų86.269%0.68645%0.45SS*.Hα-helixtrans-63.8-27.9177.1-156.979000111.6Q1057 L1058Q1057-L1061 PolarHBondContact O-N 3.26Å; Q1057-L1061 VanDerWaalsContact O-N 3.12Å; L1058-L1061 PolarHBondContact O-N 2.91Å
1062M50.3Low61.8Low32 Ų3286.1 Ų86.116%0.15845%0.449CS..Hα-helixtrans-95.1-31.1-175.2-65.5-76.77200114.8L951 L1058 L1059 R1060 G1064 I1065L951-M1062 HydrophobicContact CD1-CG 4.2Å; L951-M1062 HydrophobicContact CD1-SD 3.7Å; L951-M1062 HydrophobicContact CD2-SD 3.99Å; L951-M1062 HydrophobicContact CG-SD 4.34Å; L1058-M1062 PolarHBondContact O-N 3.37Å; L1059-M1062 PolarHBondContact O-N 3.12Å; R1060-M1062 PolarHBondContact O-N 3.22Å; M1062-G1064 PolarHBondContact O-N 3.5Å; M1062-I1065 HydrophobicContact CE-CD1 3.29Å; M1062-I1065 HydrophobicContact CE-CG1 3.88Å
1063T57Low63.2Low108 Ų10885.5 Ų85.566%0.66345%0.449SS*.Hα-helixtrans-67.7-20.5168.5530000112.6L1059 R1060L1059-T1063 PolarHBondContact O-N 3.06Å; L1059-T1063 VanDerWaalsContact O-N 3.14Å; L1059-T1063 PolarHBondContact O-OG1 3.28Å; R1060-T1063 PolarHBondContact O-OG1 2.92Å
1064G55.3Low64.5Low59 Ų5980.2 Ų80.261%0.60842%0.415SS*.THydrogen-bonded Turntrans-76.1-20178.700000115.7R1060 M1062 P1066R1060-G1064 PolarHBondContact O-N 3.41Å; M1062-G1064 PolarHBondContact O-N 3.5Å; G1064-P1066 WeakPolarHBondContact O-CD 3.49Å
1065I57.5Low66.1Low95 Ų9570.8 Ų70.849%0.48738%0.379SS..SBendtrans-80.7118175.3-56.8-171.4000107.4M1062 W1067M1062-I1065 HydrophobicContact CE-CD1 3.29Å; M1062-I1065 HydrophobicContact CE-CG1 3.88Å; I1065-W1067 PolarHBondContact O-N 2.99Å
1066P63.7Low67.6Low63 Ų6377.1 Ų77.141%0.40940%0.397SS..  trans-77.862.3-174.934.4-35.6000109.9G1064 Y1068 V1069G1064-P1066 WeakPolarHBondContact O-CD 3.49Å; P1066-Y1068 HydrophobicContact CB-CE1 3.86Å; P1066-Y1068 PolarHBondContact O-N 3.16Å; P1066-V1069 HydrophobicContact CB-CB 4.33Å; P1066-V1069 HydrophobicContact CB-CG2 3.8Å; P1066-V1069 VanDerWaalsContact O-CB 3.26Å; P1066-V1069 WeakPolarHBondContact O-CB 3.36Å; P1066-V1069 PolarHBondContact O-N 2.7Å
1067W66.8Low68.9Low43 Ų4380.7 Ų80.716%0.16340%0.402CS..Hα-helixtrans-58.2-32.7-175.2129.1-108.7000111.4T944 Y1007 A1010 L1011 I1065 V1069 Y1070 I1071T944-W1067 HydrophobicContact CG2-CH2 4.31Å; T944-W1067 HydrophobicContact CG2-CZ3 4.32Å; Y1007-W1067 AromaticContact CD1-CD2 3.99Å; Y1007-W1067 HydrophobicContact CD1-CD2 3.99Å; Y1007-W1067 AromaticContact CD1-CE2 3.68Å; Y1007-W1067 HydrophobicContact CD1-CG 4.19Å; Y1007-W1067 HydrophobicContact CD1-CZ2 4.06Å; Y1007-W1067 AromaticContact CD1-NE1 3.76Å; Y1007-W1067 HydrophobicContact CE1-CB 4.34Å; Y1007-W1067 AromaticContact CE1-CD1 3.86Å; Y1007-W1067 HydrophobicContact CE1-CD2 4.08Å; Y1007-W1067 AromaticContact CE1-CG 3.85Å; Y1007-W1067 HydrophobicContact CE1-CG 3.85Å; A1010-W1067 HydrophobicContact CB-CZ2 3.43Å; A1010-W1067 VanDerWaalsContact CB-CZ2 3.43Å; L1011-W1067 HydrophobicContact CD2-CH2 3.59Å; L1011-W1067 HydrophobicContact CD2-CZ3 4.37Å; L1011-W1067 HydrophobicContact CG-CH2 3.66Å; L1011-W1067 HydrophobicContact CG-CZ2 4.19Å; I1065-W1067 PolarHBondContact O-N 2.99Å; W1067-V1069 VanDerWaalsContact C-N 3.25Å; W1067-V1069 PolarHBondContact O-N 2.95Å; W1067-Y1070 HydrophobicContact CE3-CD1 4Å; W1067-Y1070 AromaticContact CZ3-CD1 3.89Å; W1067-Y1070 HydrophobicContact CZ3-CD1 3.89Å; W1067-Y1070 HydrophobicContact CZ3-CE1 4.27Å; W1067-Y1070 WeakPolarHBondContact O-CB 3.4Å; W1067-Y1070 PolarHBondContact O-N 3.25Å; W1067-Y1070 VanDerWaalsContact O-N 3.13Å; W1067-I1071 HydrophobicContact CD2-CD1 3.77Å; W1067-I1071 HydrophobicContact CD2-CG1 3.9Å; W1067-I1071 HydrophobicContact CE3-CD1 3.95Å; W1067-I1071 HydrophobicContact CE3-CG1 3.55Å; W1067-I1071 HydrophobicContact CH2-CD1 3.21Å; W1067-I1071 HydrophobicContact CH2-CG1 3.14Å; W1067-I1071 HydrophobicContact CZ2-CD1 3.01Å; W1067-I1071 HydrophobicContact CZ2-CG1 3.56Å; W1067-I1071 HydrophobicContact CZ3-CD1 3.7Å; W1067-I1071 HydrophobicContact CZ3-CG1 3.15Å; W1067-I1071 PolarHBondContact O-N 2.82Å; W1067-I1071 VanDerWaalsContact O-N 3.13Å
1068Y71.1Confident70.1Confident133 Ų13374.7 Ų74.752%0.52237%0.374SS..Hα-helixtrans-59.7-32.2172.860.4-90.6000113.2W1023 P1066 A1072W1023-Y1068 HydrophobicContact CH2-CD2 4.35Å; W1023-Y1068 HydrophobicContact CH2-CE2 4.47Å; W1023-Y1068 HydrophobicContact CZ2-CD2 4.34Å; P1066-Y1068 HydrophobicContact CB-CE1 3.86Å; P1066-Y1068 PolarHBondContact O-N 3.16Å; Y1068-A1072 VanDerWaalsContact O-CB 3.32Å; Y1068-A1072 WeakPolarHBondContact O-CB 3.29Å; Y1068-A1072 PolarHBondContact O-N 2.88Å
1069V75.6Confident71.5Confident65 Ų6573.9 Ų73.939%0.39437%0.37SS..Hα-helixtrans-67-42.8175.7179.30000109.9P1066 W1067 A1072 V1073P1066-V1069 HydrophobicContact CB-CB 4.33Å; P1066-V1069 HydrophobicContact CB-CG2 3.8Å; P1066-V1069 VanDerWaalsContact O-CB 3.26Å; P1066-V1069 WeakPolarHBondContact O-CB 3.36Å; P1066-V1069 PolarHBondContact O-N 2.7Å; W1067-V1069 VanDerWaalsContact C-N 3.25Å; W1067-V1069 PolarHBondContact O-N 2.95Å; V1069-A1072 WeakPolarHBondContact O-CB 3.45Å; V1069-A1072 PolarHBondContact O-N 2.93Å; V1069-V1073 HydrophobicContact CG1-CG2 4.39Å; V1069-V1073 VanDerWaalsContact O-CG2 3.32Å; V1069-V1073 WeakPolarHBondContact O-CG2 3.49Å; V1069-V1073 PolarHBondContact O-N 2.98Å
1070Y81.7Confident72.9Confident76 Ų7673.1 Ų73.130%0.29837%0.369SS..Hα-helixtrans-62.9-45.6177.8167.2-96.4000112T939 K940 P943 W1067 A1072 V1073 A1074T939-Y1070 PolarHBondContact O-OH 3.08Å; K940-Y1070 WeakPolarHBondContact CA-OH 3.4Å; K940-Y1070 PolarHBondContact N-OH 3.46Å; K940-Y1070 PolarHBondContact O-OH 2.75Å; P943-Y1070 HydrophobicContact CB-CE1 4.39Å; P943-Y1070 HydrophobicContact CB-CE2 4.36Å; P943-Y1070 WeakPolarHBondContact CB-OH 3.22Å; P943-Y1070 VanDerWaalsContact CD-OH 3.23Å; P943-Y1070 WeakPolarHBondContact CD-OH 3.2Å; P943-Y1070 HydrophobicContact CG-CE2 4.4Å; P943-Y1070 WeakPolarHBondContact CG-OH 3.17Å; W1067-Y1070 HydrophobicContact CE3-CD1 4Å; W1067-Y1070 AromaticContact CZ3-CD1 3.89Å; W1067-Y1070 HydrophobicContact CZ3-CD1 3.89Å; W1067-Y1070 HydrophobicContact CZ3-CE1 4.27Å; W1067-Y1070 WeakPolarHBondContact O-CB 3.4Å; W1067-Y1070 PolarHBondContact O-N 3.25Å; W1067-Y1070 VanDerWaalsContact O-N 3.13Å; Y1070-A1072 VanDerWaalsContact C-N 3.29Å; Y1070-A1072 PolarHBondContact O-N 2.91Å; Y1070-V1073 PolarHBondContact O-N 2.93Å; Y1070-A1074 PolarHBondContact O-N 3.44Å
1071I80.8Confident74.1Confident9 Ų969.8 Ų69.85%0.04636%0.357CS..Hα-helixtrans-58.4-44.9174.7-55.6168.6000110.7A1010 S1014 I1022 W1067 V1073 A1074 K1075A1010-I1071 HydrophobicContact CB-CD1 4.36Å; S1014-I1071 VanDerWaalsContact CB-CG2 3.48Å; I1022-I1071 HydrophobicContact CD1-CB 4.49Å; I1022-I1071 HydrophobicContact CD1-CG2 3.81Å; W1067-I1071 HydrophobicContact CD2-CD1 3.77Å; W1067-I1071 HydrophobicContact CD2-CG1 3.9Å; W1067-I1071 HydrophobicContact CE3-CD1 3.95Å; W1067-I1071 HydrophobicContact CE3-CG1 3.55Å; W1067-I1071 HydrophobicContact CH2-CD1 3.21Å; W1067-I1071 HydrophobicContact CH2-CG1 3.14Å; W1067-I1071 HydrophobicContact CZ2-CD1 3.01Å; W1067-I1071 HydrophobicContact CZ2-CG1 3.56Å; W1067-I1071 HydrophobicContact CZ3-CD1 3.7Å; W1067-I1071 HydrophobicContact CZ3-CG1 3.15Å; W1067-I1071 PolarHBondContact O-N 2.82Å; W1067-I1071 VanDerWaalsContact O-N 3.13Å; I1071-V1073 VanDerWaalsContact C-N 3.34Å; I1071-V1073 PolarHBondContact O-N 3.25Å; I1071-A1074 PolarHBondContact O-N 3.24Å; I1071-K1075 VanDerWaalsContact O-CB 3.22Å; I1071-K1075 WeakPolarHBondContact O-CB 3.28Å; I1071-K1075 PolarHBondContact O-N 3.19Å
1072A81.1Confident75.4Confident6 Ų665.2 Ų65.25%0.0533%0.332CS..Hα-helixtrans-61.9-42.4-179.400000111.6H1021 Y1068 V1069 Y1070 K1075 R1076H1021-A1072 PolarHBondContact NE2-O 3.44Å; H1021-A1072 VanDerWaalsContact NE2-O 3.15Å; Y1068-A1072 VanDerWaalsContact O-CB 3.32Å; Y1068-A1072 WeakPolarHBondContact O-CB 3.29Å; Y1068-A1072 PolarHBondContact O-N 2.88Å; V1069-A1072 WeakPolarHBondContact O-CB 3.45Å; V1069-A1072 PolarHBondContact O-N 2.93Å; Y1070-A1072 VanDerWaalsContact C-N 3.29Å; Y1070-A1072 PolarHBondContact O-N 2.91Å; A1072-K1075 WeakPolarHBondContact O-CB 3.36Å; A1072-K1075 PolarHBondContact O-N 2.93Å; A1072-R1076 PolarHBondContact O-N 3.37Å
1073V85Confident77Confident74 Ų7467.2 Ų67.245%0.44834%0.343SS..Hα-helixtrans-64-48.8175.9173.30000111V1069 Y1070 I1071 K1075 R1076 F1077V1069-V1073 HydrophobicContact CG1-CG2 4.39Å; V1069-V1073 VanDerWaalsContact O-CG2 3.32Å; V1069-V1073 WeakPolarHBondContact O-CG2 3.49Å; V1069-V1073 PolarHBondContact O-N 2.98Å; Y1070-V1073 PolarHBondContact O-N 2.93Å; I1071-V1073 VanDerWaalsContact C-N 3.34Å; I1071-V1073 PolarHBondContact O-N 3.25Å; V1073-K1075 VanDerWaalsContact C-N 3.26Å; V1073-K1075 PolarHBondContact O-N 2.93Å; V1073-R1076 WeakPolarHBondContact O-CB 3.33Å; V1073-R1076 PolarHBondContact O-N 3.27Å; V1073-R1076 VanDerWaalsContact O-N 3.11Å; V1073-F1077 HydrophobicContact CG1-CD2 4.09Å; V1073-F1077 HydrophobicContact CG1-CE2 3.84Å; V1073-F1077 WeakPolarHBondContact O-CD2 3.5Å; V1073-F1077 PolarHBondContact O-N 2.69Å
1074A84.3Confident78.3Confident12 Ų1268.6 Ų68.610%0.09934%0.336CS..Hα-helixtrans-58.2-41177.200000111.5K940 Y1070 I1071 R1076 F1077 E1078K940-A1074 HydrophobicContact CB-CB 4.48Å; K940-A1074 HydrophobicContact CG-CB 4.39Å; Y1070-A1074 PolarHBondContact O-N 3.44Å; I1071-A1074 PolarHBondContact O-N 3.24Å; A1074-R1076 VanDerWaalsContact C-N 3.35Å; A1074-R1076 PolarHBondContact O-N 3.49Å; A1074-F1077 PolarHBondContact O-N 2.84Å; A1074-E1078 PolarHBondContact O-N 3.18Å; A1074-E1078 VanDerWaalsContact O-N 3.1Å
1075K85Confident79.5Confident1 Ų167.2 Ų67.20%0.00432%0.315CS..Hα-helixtrans-61.9-39.1176.2-176.964.5172.6-167.30112.4S1014 F1017 Y1018 E1020 I1071 A1072 V1073 E1078 I1079S1014-K1075 WeakPolarHBondContact O-CE 3.48Å; S1014-K1075 PolarHBondContact O-NZ 3.39Å; F1017-K1075 WeakPolarHBondContact O-CE 3.36Å; F1017-K1075 PolarHBondContact O-NZ 3.16Å; Y1018-K1075 VanDerWaalsContact C-NZ 3.26Å; Y1018-K1075 VanDerWaalsContact CA-NZ 3.31Å; Y1018-K1075 WeakPolarHBondContact O-CE 3.36Å; Y1018-K1075 PolarHBondContact O-NZ 3.46Å; E1020-K1075 VanDerWaalsContact O-CE 3.23Å; E1020-K1075 WeakPolarHBondContact O-CE 3.42Å; I1071-K1075 VanDerWaalsContact O-CB 3.22Å; I1071-K1075 WeakPolarHBondContact O-CB 3.28Å; I1071-K1075 PolarHBondContact O-N 3.19Å; A1072-K1075 WeakPolarHBondContact O-CB 3.36Å; A1072-K1075 PolarHBondContact O-N 2.93Å; V1073-K1075 VanDerWaalsContact C-N 3.26Å; V1073-K1075 PolarHBondContact O-N 2.93Å; K1075-E1078 PolarHBondContact O-N 2.95Å; K1075-I1079 HydrophobicContact CD-CD1 4.32Å; K1075-I1079 HydrophobicContact CD-CG1 4.47Å; K1075-I1079 HydrophobicContact CG-CD1 4Å; K1075-I1079 WeakPolarHBondContact O-CG1 3.43Å; K1075-I1079 PolarHBondContact O-N 2.83Å
1076R85.4Confident80.6Confident175 Ų17563.7 Ų63.766%0.6630%0.296SS*.Hα-helixtrans-63.1-42.3176.9-172.4177.5-179.1178.50.9112.2A1072 V1073 A1074 E1078 T1080A1072-R1076 PolarHBondContact O-N 3.37Å; V1073-R1076 WeakPolarHBondContact O-CB 3.33Å; V1073-R1076 PolarHBondContact O-N 3.27Å; V1073-R1076 VanDerWaalsContact O-N 3.11Å; A1074-R1076 VanDerWaalsContact C-N 3.35Å; A1074-R1076 PolarHBondContact O-N 3.49Å; R1076-E1078 VanDerWaalsContact C-N 3.35Å; R1076-T1080 WeakPolarHBondContact O-CB 3.2Å; R1076-T1080 PolarHBondContact O-N 2.81Å; R1076-T1080 VanDerWaalsContact O-N 3.07Å; R1076-T1080 PolarHBondContact O-OG1 3.44Å
1077F85.1Confident81.5Confident155 Ų15569.6 Ų69.668%0.6831%0.31SS*.Hα-helixtrans-63.4-41.8175.4-80-75000111.8V1073 A1074 T1080 R1081V1073-F1077 HydrophobicContact CG1-CD2 4.09Å; V1073-F1077 HydrophobicContact CG1-CE2 3.84Å; V1073-F1077 WeakPolarHBondContact O-CD2 3.5Å; V1073-F1077 PolarHBondContact O-N 2.69Å; A1074-F1077 PolarHBondContact O-N 2.84Å; F1077-T1080 PolarHBondContact O-N 2.84Å; F1077-R1081 WeakPolarHBondContact O-CB 3.29Å; F1077-R1081 PolarHBondContact O-N 2.98Å
1078E82.6Confident82.3Confident25 Ų2573 Ų7312%0.11732%0.323CS..Hα-helixtrans-60.3-49.9177.2-174174.7-167.400112K940 Y1018 A1074 K1075 R1076 T1080 R1081 F1082K940-E1078 IonicContact NZ-OE2 2.77Å; Y1018-E1078 WeakPolarHBondContact CE2-OE1 3.06Å; Y1018-E1078 VanDerWaalsContact CZ-OE1 3.3Å; Y1018-E1078 PolarHBondContact OH-OE1 2.86Å; A1074-E1078 PolarHBondContact O-N 3.18Å; A1074-E1078 VanDerWaalsContact O-N 3.1Å; K1075-E1078 PolarHBondContact O-N 2.95Å; R1076-E1078 VanDerWaalsContact C-N 3.35Å; E1078-T1080 VanDerWaalsContact C-N 3.34Å; E1078-T1080 PolarHBondContact O-N 3.31Å; E1078-R1081 PolarHBondContact O-N 3.49Å; E1078-F1082 WeakPolarHBondContact O-CB 3.24Å; E1078-F1082 PolarHBondContact O-N 2.89Å
1079I83.7Confident82.6Confident23 Ų2369.4 Ų69.412%0.11831%0.309CS..Hα-helixtrans-60.9-43.9178.6-66.2165.7000111H1021 K1075 R1081 F1082 N1083H1021-I1079 HydrophobicContact CB-CD1 4.28Å; K1075-I1079 HydrophobicContact CD-CD1 4.32Å; K1075-I1079 HydrophobicContact CD-CG1 4.47Å; K1075-I1079 HydrophobicContact CG-CD1 4Å; K1075-I1079 WeakPolarHBondContact O-CG1 3.43Å; K1075-I1079 PolarHBondContact O-N 2.83Å; I1079-R1081 VanDerWaalsContact C-N 3.34Å; I1079-R1081 PolarHBondContact O-N 3.24Å; I1079-F1082 PolarHBondContact O-N 3.13Å; I1079-N1083 WeakPolarHBondContact O-CB 3.08Å; I1079-N1083 VanDerWaalsContact O-CG 3.29Å; I1079-N1083 PolarHBondContact O-N 3.45Å; I1079-N1083 PolarHBondContact O-ND2 3.49Å
1080T86.4Confident82.9Confident87 Ų8770.7 Ų70.753%0.53431%0.306SS..Hα-helixtrans-62.6-43.5-179.2-54.10000111.2R1076 F1077 E1078 R1084R1076-T1080 WeakPolarHBondContact O-CB 3.2Å; R1076-T1080 PolarHBondContact O-N 2.81Å; R1076-T1080 VanDerWaalsContact O-N 3.07Å; R1076-T1080 PolarHBondContact O-OG1 3.44Å; F1077-T1080 PolarHBondContact O-N 2.84Å; E1078-T1080 VanDerWaalsContact C-N 3.34Å; E1078-T1080 PolarHBondContact O-N 3.31Å; T1080-R1084 PolarHBondContact O-N 2.85Å; T1080-R1084 VanDerWaalsContact O-N 3.15Å
1081R83.1Confident82.8Confident93 Ų9371.9 Ų71.935%0.35132%0.317SS..Hα-helixtrans-64.5-47.1176.1-175.4-176.2-171.2158.811.7111.5I932 F1077 E1078 I1079 N1083 R1084 D1085I932-R1081 VanDerWaalsContact CG2-CZ 3.5Å; F1077-R1081 WeakPolarHBondContact O-CB 3.29Å; F1077-R1081 PolarHBondContact O-N 2.98Å; E1078-R1081 PolarHBondContact O-N 3.49Å; I1079-R1081 VanDerWaalsContact C-N 3.34Å; I1079-R1081 PolarHBondContact O-N 3.24Å; R1081-N1083 PolarHBondContact O-N 3.05Å; R1081-R1084 WeakPolarHBondContact O-CB 3.38Å; R1081-R1084 PolarHBondContact O-N 2.65Å; R1081-R1084 VanDerWaalsContact O-N 3.16Å; R1081-D1085 PolarHBondContact O-N 3.37Å
1082F81.4Confident82.7Confident35 Ų3574.1 Ų74.115%0.15433%0.334CS..Hα-helixtrans-57.3-47.8178.7172.2-94.9000111.5L916 Y1018 Y1019 E1078 I1079 R1084 D1085 Q1086L916-F1082 HydrophobicContact CD1-CE2 4.09Å; L916-F1082 HydrophobicContact CD1-CZ 3.47Å; L916-F1082 VanDerWaalsContact CD1-CZ 3.47Å; Y1018-F1082 HydrophobicContact CE1-CD2 4.46Å; Y1019-F1082 AromaticContact CD1-CD1 3.54Å; Y1019-F1082 HydrophobicContact CD1-CD1 3.54Å; Y1019-F1082 HydrophobicContact CD1-CD2 4.49Å; Y1019-F1082 AromaticContact CD1-CE1 3.32Å; Y1019-F1082 HydrophobicContact CD1-CE1 3.32Å; Y1019-F1082 HydrophobicContact CD1-CE2 4.32Å; Y1019-F1082 HydrophobicContact CD1-CG 4.14Å; Y1019-F1082 AromaticContact CD1-CZ 3.75Å; Y1019-F1082 HydrophobicContact CD1-CZ 3.75Å; Y1019-F1082 AromaticContact CE1-CD1 3.53Å; Y1019-F1082 HydrophobicContact CE1-CD1 3.53Å; Y1019-F1082 AromaticContact CE1-CD2 3.76Å; Y1019-F1082 HydrophobicContact CE1-CD2 3.76Å; Y1019-F1082 AromaticContact CE1-CE1 3.08Å; Y1019-F1082 HydrophobicContact CE1-CE1 3.08Å; Y1019-F1082 AromaticContact CE1-CE2 3.33Å; Y1019-F1082 HydrophobicContact CE1-CE2 3.33Å; Y1019-F1082 AromaticContact CE1-CG 3.85Å; Y1019-F1082 HydrophobicContact CE1-CG 3.85Å; Y1019-F1082 AromaticContact CE1-CZ 2.96Å; Y1019-F1082 HydrophobicContact CE1-CZ 2.96Å; Y1019-F1082 HydrophobicContact CE2-CZ 4.38Å; Y1019-F1082 HydrophobicContact CG-CE1 4.24Å; Y1019-F1082 AromaticContact CZ-CE1 3.81Å; Y1019-F1082 AromaticContact CZ-CE2 3.82Å; Y1019-F1082 AromaticContact CZ-CZ 3.35Å; Y1019-F1082 WeakPolarHBondContact OH-CZ 3.38Å; E1078-F1082 WeakPolarHBondContact O-CB 3.24Å; E1078-F1082 PolarHBondContact O-N 2.89Å; I1079-F1082 PolarHBondContact O-N 3.13Å; F1082-R1084 VanDerWaalsContact C-N 3.29Å; F1082-R1084 PolarHBondContact O-N 2.77Å; F1082-D1085 PolarHBondContact O-N 2.92Å; F1082-Q1086 HydrophobicContact CD1-CG 4.19Å; F1082-Q1086 HydrophobicContact CD2-CG 4.35Å; F1082-Q1086 HydrophobicContact CE1-CG 3.55Å; F1082-Q1086 HydrophobicContact CE2-CG 3.74Å; F1082-Q1086 HydrophobicContact CZ-CG 3.27Å; F1082-Q1086 WeakPolarHBondContact O-CG 3.43Å; F1082-Q1086 PolarHBondContact O-N 2.75Å
1083N83.8Confident82.5Confident74 Ų7474.6 Ų74.640%0.39634%0.335SS..Hα-helixtrans-61.1-38.1177.6-72.3-17.3000112.1I1079 R1081 R1087I1079-N1083 WeakPolarHBondContact O-CB 3.08Å; I1079-N1083 VanDerWaalsContact O-CG 3.29Å; I1079-N1083 PolarHBondContact O-N 3.45Å; I1079-N1083 PolarHBondContact O-ND2 3.49Å; R1081-N1083 PolarHBondContact O-N 3.05Å; N1083-R1087 VanDerWaalsContact O-CG 3.31Å; N1083-R1087 WeakPolarHBondContact O-CG 3.44Å; N1083-R1087 PolarHBondContact O-N 2.97Å
1084R85.3Confident82.2Confident138 Ų13874.5 Ų74.552%0.52133%0.332SS..Hα-helixtrans-65.6-42.7175.9-165.9179.780.3163.81.8111.9T1080 R1081 F1082 R1087 R1088T1080-R1084 PolarHBondContact O-N 2.85Å; T1080-R1084 VanDerWaalsContact O-N 3.15Å; R1081-R1084 WeakPolarHBondContact O-CB 3.38Å; R1081-R1084 PolarHBondContact O-N 2.65Å; R1081-R1084 VanDerWaalsContact O-N 3.16Å; F1082-R1084 VanDerWaalsContact C-N 3.29Å; F1082-R1084 PolarHBondContact O-N 2.77Å; R1084-R1087 PolarHBondContact O-N 2.88Å; R1084-R1088 WeakPolarHBondContact O-CG 3.37Å; R1084-R1088 PolarHBondContact O-N 3.16Å
1085D80.3Confident81.7Confident30 Ų3075.2 Ų75.216%0.1634%0.335CS..Hα-helixtrans-69.8-37.8-179.9-71-13.4000111.4R1081 F1082 R1088 R1089R1081-D1085 PolarHBondContact O-N 3.37Å; F1082-D1085 PolarHBondContact O-N 2.92Å; D1085-R1088 PolarHBondContact O-N 3.1Å; D1085-R1089 VanDerWaalsContact O-CG 3.29Å; D1085-R1089 WeakPolarHBondContact O-CG 3.32Å; D1085-R1089 PolarHBondContact O-N 3.26Å
1086Q81Confident80.8Confident21 Ų2179.9 Ų79.910%0.09836%0.355CS..Hα-helixtrans-60.9-47.6171.7-75.1-61.2-36.900111.8F1082 R1088 R1089 R1090F1082-Q1086 HydrophobicContact CD1-CG 4.19Å; F1082-Q1086 HydrophobicContact CD2-CG 4.35Å; F1082-Q1086 HydrophobicContact CE1-CG 3.55Å; F1082-Q1086 HydrophobicContact CE2-CG 3.74Å; F1082-Q1086 HydrophobicContact CZ-CG 3.27Å; F1082-Q1086 WeakPolarHBondContact O-CG 3.43Å; F1082-Q1086 PolarHBondContact O-N 2.75Å; Q1086-R1088 VanDerWaalsContact C-N 3.34Å; Q1086-R1088 PolarHBondContact O-N 3.27Å; Q1086-R1089 PolarHBondContact O-N 3.05Å; Q1086-R1089 VanDerWaalsContact O-N 3.14Å; Q1086-R1090 PolarHBondContact O-N 3.12Å
1087R83Confident79.5Confident186 Ų18674 Ų7470%0.70234%0.337SS*.Hα-helixtrans-58.2-44176.8-74.3176.2-175.7-173.40.6112.3N1083 R1084 R1089 R1090 L1091N1083-R1087 VanDerWaalsContact O-CG 3.31Å; N1083-R1087 WeakPolarHBondContact O-CG 3.44Å; N1083-R1087 PolarHBondContact O-N 2.97Å; R1084-R1087 PolarHBondContact O-N 2.88Å; R1087-R1089 VanDerWaalsContact C-N 3.32Å; R1087-R1089 PolarHBondContact O-N 3.15Å; R1087-R1090 PolarHBondContact O-N 2.8Å; R1087-L1091 WeakPolarHBondContact O-CB 3.32Å; R1087-L1091 WeakPolarHBondContact O-CD1 3.2Å; R1087-L1091 WeakPolarHBondContact O-CG 3.31Å; R1087-L1091 PolarHBondContact O-N 3.46Å
1088R81.9Confident78Confident116 Ų11670.8 Ų70.844%0.43835%0.347SS..Hα-helixtrans-61.9-39.5176.6-76.2179.6178.8-167.4-3.9112.6R1084 D1085 Q1086 S1092R1084-R1088 WeakPolarHBondContact O-CG 3.37Å; R1084-R1088 PolarHBondContact O-N 3.16Å; D1085-R1088 PolarHBondContact O-N 3.1Å; Q1086-R1088 VanDerWaalsContact C-N 3.34Å; Q1086-R1088 PolarHBondContact O-N 3.27Å; R1088-S1092 PolarHBondContact O-N 3Å
1089R78Confident76.6Confident57 Ų5775.5 Ų75.522%0.21537%0.371CS..Hα-helixtrans-70.7-40.6178.5-69.7174.4-159.9161.27.6111.9V917 F919 D1085 Q1086 R1087 S1092 F1093V917-R1089 HydrophobicContact CB-CB 3.85Å; V917-R1089 HydrophobicContact CG1-CB 3.68Å; V917-R1089 HydrophobicContact CG2-CB 4.31Å; F919-R1089 VanDerWaalsContact CE1-NH1 3.32Å; D1085-R1089 VanDerWaalsContact O-CG 3.29Å; D1085-R1089 WeakPolarHBondContact O-CG 3.32Å; D1085-R1089 PolarHBondContact O-N 3.26Å; Q1086-R1089 PolarHBondContact O-N 3.05Å; Q1086-R1089 VanDerWaalsContact O-N 3.14Å; R1087-R1089 VanDerWaalsContact C-N 3.32Å; R1087-R1089 PolarHBondContact O-N 3.15Å; R1089-S1092 WeakPolarHBondContact CA-OG 3.3Å; R1089-S1092 CarbonylContact O-C 3.47Å; R1089-S1092 PolarHBondContact O-N 3.27Å; R1089-S1092 PolarHBondContact O-OG 3.18Å; R1089-F1093 PolarHBondContact O-N 3.17Å
1090R81.3Confident74.8Confident91 Ų9182 Ų8234%0.34341%0.406SS..Hα-helixtrans-60.6-46173.7-168.8166.5-176.1163.61.3110.7E915 V917 Q1086 R1087 S1092 F1093 D1094E915-R1090 IonicContact OE2-CZ 2.71Å; E915-R1090 IonicContact OE2-NH1 3.65Å; E915-R1090 PolarHBondContact OE2-NH1 2.86Å; V917-R1090 HydrophobicContact CG2-CB 4.09Å; Q1086-R1090 PolarHBondContact O-N 3.12Å; R1087-R1090 PolarHBondContact O-N 2.8Å; R1090-S1092 VanDerWaalsContact C-N 3.33Å; R1090-S1092 PolarHBondContact O-N 2.94Å; R1090-F1093 CarbonylContact O-C 3.56Å; R1090-F1093 WeakPolarHBondContact O-CA 3.35Å; R1090-F1093 WeakPolarHBondContact O-CB 3.49Å; R1090-F1093 PolarHBondContact O-N 3.19Å; R1090-D1094 WeakPolarHBondContact CG-OD2 3.38Å; R1090-D1094 WeakPolarHBondContact O-CB 3.19Å; R1090-D1094 PolarHBondContact O-N 3.23Å
1091L81.4Confident72.7Confident101 Ų10181.4 Ų81.453%0.52941%0.405SS..Hα-helixtrans-55.9-43.3171.9-77.8159.1000113R1087 F1093 D1094 T1095R1087-L1091 WeakPolarHBondContact O-CB 3.32Å; R1087-L1091 WeakPolarHBondContact O-CD1 3.2Å; R1087-L1091 WeakPolarHBondContact O-CG 3.31Å; R1087-L1091 PolarHBondContact O-N 3.46Å; L1091-F1093 PolarHBondContact O-N 3.13Å; L1091-D1094 PolarHBondContact O-N 3.3Å; L1091-T1095 WeakPolarHBondContact O-CG2 3.29Å; L1091-T1095 PolarHBondContact O-N 3.14Å; L1091-T1095 VanDerWaalsContact O-N 3.08Å
1092S77.1Confident70.6Confident56 Ų5680.8 Ų80.839%0.39241%0.413SS..Hα-helixtrans-70.2-19.8175.975.10000114.1R1088 R1089 R1090 T1095R1088-S1092 PolarHBondContact O-N 3Å; R1089-S1092 WeakPolarHBondContact CA-OG 3.3Å; R1089-S1092 CarbonylContact O-C 3.47Å; R1089-S1092 PolarHBondContact O-N 3.27Å; R1089-S1092 PolarHBondContact O-OG 3.18Å; R1090-S1092 VanDerWaalsContact C-N 3.33Å; R1090-S1092 PolarHBondContact O-N 2.94Å; S1092-T1095 VanDerWaalsContact C-OG1 3.29Å; S1092-T1095 PolarHBondContact O-OG1 3.42Å
1093F78.5Confident68.6Low17 Ų1788 Ų888%0.07545%0.445CS..Hα-helixtrans-82.9-43.1174178.6-89.5000110.1D631 C634 R636 R1089 R1090 L1091 T1095D631-F1093 WeakPolarHBondContact OD1-CE1 3.06Å; C634-F1093 VanDerWaalsContact C-CZ 3.47Å; C634-F1093 HydrophobicContact CB-CD1 4.31Å; C634-F1093 HydrophobicContact CB-CD2 4.1Å; C634-F1093 HydrophobicContact CB-CE1 4.44Å; C634-F1093 HydrophobicContact CB-CE2 4.2Å; C634-F1093 HydrophobicContact CB-CG 4.15Å; C634-F1093 HydrophobicContact CB-CZ 4.4Å; C634-F1093 VanDerWaalsContact O-CE2 3.25Å; C634-F1093 WeakPolarHBondContact O-CE2 3.26Å; R636-F1093 HydrophobicContact CB-CE2 4.49Å; R636-F1093 HydrophobicContact CG-CD2 4.27Å; R636-F1093 HydrophobicContact CG-CE2 3.41Å; R636-F1093 VanDerWaalsContact CG-CE2 3.41Å; R636-F1093 HydrophobicContact CG-CZ 3.8Å; R636-F1093 PolarHBondContact NH2-O 2.62Å; R1089-F1093 PolarHBondContact O-N 3.17Å; R1090-F1093 CarbonylContact O-C 3.56Å; R1090-F1093 WeakPolarHBondContact O-CA 3.35Å; R1090-F1093 WeakPolarHBondContact O-CB 3.49Å; R1090-F1093 PolarHBondContact O-N 3.19Å; L1091-F1093 PolarHBondContact O-N 3.13Å; F1093-T1095 PolarHBondContact O-N 3.33Å
1094D78.2Confident67.9Low71 Ų7188.7 Ų88.738%0.3845%0.447SS..Hα-helixtrans-72.3-14.8-179.2-61.7-18.9000112.9R1090 L1091 K1096R1090-D1094 WeakPolarHBondContact CG-OD2 3.38Å; R1090-D1094 WeakPolarHBondContact O-CB 3.19Å; R1090-D1094 PolarHBondContact O-N 3.23Å; L1091-D1094 PolarHBondContact O-N 3.3Å; D1094-K1096 PolarHBondContact O-N 3.23Å
1095T73Confident67Low27 Ų2786.1 Ų86.117%0.16644%0.444CS..  trans-61.7108.2170.739.60000110.4R636 L1091 S1092 F1093 P1102R636-T1095 PolarHBondContact NH2-O 2.63Å; L1091-T1095 WeakPolarHBondContact O-CG2 3.29Å; L1091-T1095 PolarHBondContact O-N 3.14Å; L1091-T1095 VanDerWaalsContact O-N 3.08Å; S1092-T1095 VanDerWaalsContact C-OG1 3.29Å; S1092-T1095 PolarHBondContact O-OG1 3.42Å; F1093-T1095 PolarHBondContact O-N 3.33Å; T1095-P1102 VanDerWaalsContact CG2-CD 3.47Å; T1095-P1102 HydrophobicContact CG2-CG 4.27Å
1096K65.5Low66.2Low99 Ų9989.2 Ų89.243%0.4346%0.459SS..  trans-95.8164.4177.5-72.9165.6171.4-140.60111.1E660 D1094 G1098 M1099E660-K1096 WeakPolarHBondContact OE1-CD 3.41Å; E660-K1096 WeakPolarHBondContact OE1-CE 3.32Å; E660-K1096 WeakPolarHBondContact OE1-CG 3.48Å; E660-K1096 IonicContact OE1-NZ 3.42Å; E660-K1096 PolarHBondContact OE1-NZ 3.14Å; D1094-K1096 PolarHBondContact O-N 3.23Å; K1096-G1098 PolarHBondContact O-N 2.9Å; K1096-M1099 HydrophobicContact CB-SD 4.48Å; K1096-M1099 PolarHBondContact O-N 2.86Å
1097L60Low65.4Low52 Ų5293.2 Ų93.227%0.27248%0.481SS..THydrogen-bonded Turntrans-53.8130.1176.7-88.3103.6000110.6N664 V741 L744 V745N664-L1097 VanDerWaalsContact O-CD2 3.26Å; N664-L1097 WeakPolarHBondContact O-CD2 3.42Å; V741-L1097 HydrophobicContact CG1-CD1 4.35Å; V741-L1097 HydrophobicContact CG1-CD2 3.34Å; V741-L1097 HydrophobicContact CG1-CG 3.84Å; L744-L1097 HydrophobicContact CB-CD1 4.25Å; V745-L1097 HydrophobicContact CG2-CD1 4.44Å
1098G52.7Low64.3Low88 Ų8887.4 Ų87.491%0.90747%0.467SS*.THydrogen-bonded Turntrans88.2-4.9178.100000115.8K1096K1096-G1098 PolarHBondContact O-N 2.9Å
1099M52.9Low63.1Low123 Ų12385.5 Ų85.561%0.60647%0.469SS*.SBendtrans-90132.4167.6-70.2177.66600109.8K1096 S1101K1096-M1099 HydrophobicContact CB-SD 4.48Å; K1096-M1099 PolarHBondContact O-N 2.86Å; M1099-S1101 PolarHBondContact O-N 3.12Å; M1099-S1101 VanDerWaalsContact O-N 3.1Å
1100N45.7Very low62Low160 Ų16087.6 Ų87.686%0.85649%0.487SS*.PPolyproline II helixtrans-54.6120.5172.4-85.2-19.2000109.5
1101S42.1Very low60.5Low74 Ų7487.3 Ų87.352%0.51750%0.498SS..PPolyproline II helixtrans-50.7126.1167.1165.30000108.4M1099 F1103M1099-S1101 PolarHBondContact O-N 3.12Å; M1099-S1101 VanDerWaalsContact O-N 3.1Å; S1101-F1103 PolarHBondContact O-N 2.79Å; S1101-F1103 PolarHBondContact OG-N 2.77Å; S1101-F1103 VanDerWaalsContact OG-N 3.15Å; S1101-F1103 PolarHBondContact OG-O 2.98Å
1102P39.9Very low58.8Low81 Ų8186.2 Ų86.253%0.52650%0.495SS..  trans-72.111.2174.228.5-31000112.7T1095T1095-P1102 VanDerWaalsContact CG2-CD 3.47Å; T1095-P1102 HydrophobicContact CG2-CG 4.27Å
1103F39.8Very low57.1Low186 Ų18688.9 Ų88.982%0.81651%0.505SS*.  trans-130.80-179.7-61.9-68.6000111.9S1101S1101-F1103 PolarHBondContact O-N 2.79Å; S1101-F1103 PolarHBondContact OG-N 2.77Å; S1101-F1103 VanDerWaalsContact OG-N 3.15Å; S1101-F1103 PolarHBondContact OG-O 2.98Å

Retrieved 1,103 of 1,103 residues in 608.3 ms (Link to these results)

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