A0A087Y696_POEFO Loading...

Large ribosomal subunit protein uL13

AlphaFold DB , UniProt , Accession A0A087Y696, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 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
1M43.2Very low71.1Confident205 Ų20598.3 Ų98.3100%1.0149%0.49SS*.  0-2.70-67.3-152.1-153.500115.1D3M1-D3 PolarHBondContact O-N 3.49Å
2A44.3Very low73.4Confident80 Ų8091.2 Ų91.266%0.66146%0.455SS*.THydrogen-bonded Turntrans-72.6-16.9-17400000116R4A2-R4 PolarHBondContact O-N 3.37Å
3D52.3Low75.2Confident129 Ų12984.2 Ų84.269%0.6942%0.42SS*.Hα-helixtrans-79.9-18.6-170-159.330.8000114.5M1 F5M1-D3 PolarHBondContact O-N 3.49Å; D3-F5 VanDerWaalsContact C-N 3.29Å; D3-F5 PolarHBondContact O-N 3.04Å
4R53.4Low76.9Confident190 Ų19089 Ų8972%0.71743%0.431SS*.Hα-helixtrans-69.7-22.9-178.9-61.4-168.5-150.5-175.37.9113.8A2 H33A2-R4 PolarHBondContact O-N 3.37Å; R4-H33 PolarHBondContact O-ND1 3.43Å
5F56.2Low78.2Confident97 Ų9784.3 Ų84.343%0.42542%0.415SS..Hα-helixtrans-98.4-16.5-177.1-63.4-72.2000113.6D3 L31 H33D3-F5 VanDerWaalsContact C-N 3.29Å; D3-F5 PolarHBondContact O-N 3.04Å; F5-L31 WeakPolarHBondContact CE1-O 3.48Å; F5-H33 AromaticContact CD1-CE1 3.54Å; F5-H33 AromaticContact CD1-ND1 3.72Å; F5-H33 AromaticContact CD1-NE2 3.99Å; F5-H33 AromaticContact CE1-CE1 3.55Å; F5-H33 AromaticContact CE1-NE2 3.63Å
6N65.8Low79.5Confident108 Ų10879.1 Ų79.158%0.57839%0.389SS*.Hα-helixtrans-85-26.7-178.9-84.3-19.5000113.5V8N6-V8 PolarHBondContact O-N 3.03Å
7K84.3Confident80.6Confident165 Ų16575.1 Ų75.172%0.71737%0.37SS*.SBendtrans-75120.9179.6-164.1169.8-173.9169.20111.5L9K7-L9 PolarHBondContact O-N 3.17Å
8V92.7Very high81.6Confident40 Ų4072.1 Ų72.124%0.24236%0.356CS..  trans-67119177.9175.90000110.7N6 L10 K34 V36 R117N6-V8 PolarHBondContact O-N 3.03Å; V8-L10 PolarHBondContact O-N 2.92Å; V8-K34 WeakPolarHBondContact CA-O 3.43Å; V8-K34 HydrophobicContact CG2-CB 4.21Å; V8-V36 HydrophobicContact CG1-CB 4.18Å; V8-V36 HydrophobicContact CG1-CG2 3.39Å; V8-R117 PolarHBondContact O-NH2 3.2Å; V8-R117 VanDerWaalsContact O-NH2 3.07Å
9L94.8Very high82.5Confident58 Ų5870.1 Ų70.130%0.30436%0.355SS..EExtended strand (participates in β ladder)trans-78.8104.9173.9-178.464.3000109.9K7 L11 K34 V35 V36 M120K7-L9 PolarHBondContact O-N 3.17Å; L9-L11 HydrophobicContact CD1-CD2 4.01Å; L9-L11 HydrophobicContact CD2-CD1 4.43Å; L9-L11 HydrophobicContact CD2-CD2 4.06Å; L9-L11 HydrophobicContact CD2-CG 4.39Å; L9-L11 HydrophobicContact CG-CD2 3.78Å; L9-L11 HydrophobicContact CG-CG 4.13Å; L9-K34 PolarHBondContact N-O 3Å; L9-V35 HydrophobicContact CB-CG2 4.35Å; L9-V35 HydrophobicContact CD2-CG2 4.27Å; L9-V35 WeakPolarHBondContact O-CA 3.46Å; L9-V36 PolarHBondContact O-N 3Å; L9-M120 HydrophobicContact CD1-CB 4.43Å; L9-M120 HydrophobicContact CD1-CG 4.21Å
10L97.2Very high83.3Confident4 Ų472.7 Ų72.72%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-93.9116.5178.9-179.563000110.3V8 V36 V38 Y114 R117 R119 M120V8-L10 PolarHBondContact O-N 2.92Å; L10-V36 CarbonylContact C-O 3.55Å; L10-V36 WeakPolarHBondContact CA-O 3.42Å; L10-V36 HydrophobicContact CD1-CB 3.9Å; L10-V36 HydrophobicContact CD1-CG1 3.77Å; L10-V38 HydrophobicContact CD1-CG1 3.73Å; L10-V38 HydrophobicContact CD1-CG2 4.16Å; L10-Y114 HydrophobicContact CD1-CD1 3.71Å; L10-Y114 HydrophobicContact CD1-CE1 4.47Å; L10-Y114 HydrophobicContact CD1-CG 4.05Å; L10-Y114 HydrophobicContact CD2-CD1 4.15Å; L10-Y114 HydrophobicContact CG-CD1 4.49Å; L10-R117 HydrophobicContact CD2-CB 3.62Å; L10-R119 HydrophobicContact CD2-CG 3.61Å; L10-R119 HydrophobicContact CG-CB 4.47Å; L10-R119 HydrophobicContact CG-CG 3.72Å; L10-M120 PolarHBondContact O-N 3.43Å
11L98.1Very high84Confident5 Ų569.2 Ų69.23%0.02634%0.344CS..EExtended strand (participates in β ladder)trans-110.4135.7-177.6-57.4-178.6000111.5L9 L21 V25 V35 V36 V37 V38 M120 V122L9-L11 HydrophobicContact CD1-CD2 4.01Å; L9-L11 HydrophobicContact CD2-CD1 4.43Å; L9-L11 HydrophobicContact CD2-CD2 4.06Å; L9-L11 HydrophobicContact CD2-CG 4.39Å; L9-L11 HydrophobicContact CG-CD2 3.78Å; L9-L11 HydrophobicContact CG-CG 4.13Å; L11-L21 HydrophobicContact CD1-CD1 4.2Å; L11-V25 HydrophobicContact CD1-CG2 3.7Å; L11-V35 HydrophobicContact CD1-CG1 3.82Å; L11-V35 HydrophobicContact CG-CG1 4.23Å; L11-V36 PolarHBondContact N-O 3.19Å; L11-V37 HydrophobicContact CB-CG2 4.29Å; L11-V37 HydrophobicContact CD1-CG2 4.3Å; L11-V38 WeakPolarHBondContact O-CG2 3.36Å; L11-V38 PolarHBondContact O-N 2.83Å; L11-M120 WeakPolarHBondContact CA-O 3.34Å; L11-M120 HydrophobicContact CD2-CB 3.98Å; L11-V122 HydrophobicContact CD1-CG2 4.06Å; L11-V122 HydrophobicContact CD2-CG2 3.93Å
12D98.2Very high86.7Confident13 Ų1359.5 Ų59.57%0.0730%0.295CS..EExtended strand (participates in β ladder)trans-82.8116.2169.4-172.213.2000109.9R14 H16 R39 R119 M120D12-R14 VanDerWaalsContact C-N 3.27Å; D12-R14 PolarHBondContact O-N 2.9Å; D12-R14 PolarHBondContact OD1-N 3.29Å; D12-H16 PolarHBondContact O-CE1 3.3Å; D12-H16 PolarHBondContact O-ND1 3.48Å; D12-R39 VanDerWaalsContact CG-NH1 3.26Å; D12-R39 IonicContact OD1-CZ 2.94Å; D12-R39 IonicContact OD1-NE 2.72Å; D12-R39 IonicContact OD1-NH1 2.69Å; D12-R39 PolarHBondContact OD1-NH1 3.18Å; D12-R39 IonicContact OD2-NH1 3.79Å; D12-R39 PolarHBondContact OD2-NH1 3.32Å; D12-R119 HydrophobicContact CB-CB 4.04Å; D12-M120 PolarHBondContact N-O 3.12Å
13G97.8Very high89.2Confident0 Ų058.1 Ų58.10%028%0.284CS..  trans-70.6-20.2178.200000113.7G15 H16 V38 I43G13-G15 PolarHBondContact O-N 3.17Å; G13-H16 PolarHBondContact O-N 3.19Å; G13-V38 WeakPolarHBondContact CA-O 3.47Å; G13-V38 PolarHBondContact N-O 3.21Å; G13-I43 WeakPolarHBondContact O-CG1 3.37Å
14R98.1Very high91.4Very high152 Ų15254.5 Ų54.557%0.57426%0.264SS*.THydrogen-bonded Turntrans-56131-178.8179.5-17656.6168.912.8110.8D12 H16 G42D12-R14 VanDerWaalsContact C-N 3.27Å; D12-R14 PolarHBondContact O-N 2.9Å; D12-R14 PolarHBondContact OD1-N 3.29Å; R14-H16 PolarHBondContact O-N 2.9Å; R14-H16 PolarHBondContact O-ND1 3.15Å; R14-H16 VanDerWaalsContact O-ND1 3.07Å; R14-G42 WeakPolarHBondContact CA-O 3.45Å
15G97.3Very high93.6Very high19 Ų1945.5 Ų45.520%0.19623%0.23CC..THydrogen-bonded Turntrans80.6-1.5169.400000114G13 G42 N44 K127G13-G15 PolarHBondContact O-N 3.17Å; G15-G42 PolarHBondContact N-O 3.15Å; G15-N44 WeakPolarHBondContact CA-ND2 3.45Å; G15-K127 WeakPolarHBondContact O-CB 3.49Å; G15-K127 PolarHBondContact O-N 3.41Å
16H98.7Very high95.6Very high0 Ų041.1 Ų41.10%021%0.212CC..BIsolated β-bridgetrans-88.2155.4177.4-67.478.9000111.9D12 G13 R14 L21 N44 V122 A125D12-H16 PolarHBondContact O-CE1 3.3Å; D12-H16 PolarHBondContact O-ND1 3.48Å; G13-H16 PolarHBondContact O-N 3.19Å; R14-H16 PolarHBondContact O-N 2.9Å; R14-H16 PolarHBondContact O-ND1 3.15Å; R14-H16 VanDerWaalsContact O-ND1 3.07Å; H16-L21 HydrophobicContact CB-CB 4.15Å; H16-L21 HydrophobicContact CB-CD2 3.86Å; H16-L21 HydrophobicContact CB-CG 4.44Å; H16-N44 PolarHBondContact O-N 3.02Å; H16-V122 PolarHBondContact NE2-N 2.81Å; H16-V122 PolarHBondContact NE2-O 3.3Å; H16-A125 CarbonylContact C-O 3.47Å; H16-A125 WeakPolarHBondContact CA-O 3.5Å
17L98.6Very high97.1Very high12 Ų1242 Ų426%0.06321%0.211CC..BIsolated β-bridgetrans-87126171.5-69.5174000110.3G19 R20 L21 N44 A125 K127 R130L17-G19 PolarHBondContact O-N 3.2Å; L17-R20 HydrophobicContact CB-CB 4.24Å; L17-R20 HydrophobicContact CB-CG 4.36Å; L17-R20 PolarHBondContact O-N 2.9Å; L17-R20 VanDerWaalsContact O-N 3.16Å; L17-L21 PolarHBondContact O-N 3.02Å; L17-N44 CarbonylContact C-O 3.51Å; L17-N44 VanDerWaalsContact CA-O 3.3Å; L17-N44 WeakPolarHBondContact CA-O 3.37Å; L17-N44 HydrophobicContact CD2-CB 4.37Å; L17-A125 PolarHBondContact N-O 2.88Å; L17-K127 HydrophobicContact CD2-CB 4.12Å; L17-K127 HydrophobicContact CD2-CG 4.1Å; L17-K127 HydrophobicContact CG-CB 4.14Å; L17-R130 HydrophobicContact CD1-CB 3.82Å
18L98.6Very high97.7Very high21 Ų2137 Ų3711%0.1119%0.19CC..Hα-helixtrans-44.7-60.3-172.3-178.675.3000113.5A22 I43 N44 I45 F82 L140L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.14Å; L18-A22 PolarHBondContact O-N 3.16Å; L18-I43 HydrophobicContact CB-CG2 3.77Å; L18-I43 HydrophobicContact CD1-CG2 3.86Å; L18-I43 HydrophobicContact CG-CG2 4.47Å; L18-N44 PolarHBondContact N-O 2.91Å; L18-I45 HydrophobicContact CB-CG1 3.99Å; L18-I45 HydrophobicContact CD2-CD1 3.97Å; L18-I45 HydrophobicContact CD2-CG1 4.06Å; L18-F82 HydrophobicContact CD1-CB 4.16Å; L18-F82 HydrophobicContact CD1-CD2 3.76Å; L18-F82 HydrophobicContact CD1-CG 4.46Å; L18-L140 HydrophobicContact CD1-CD2 3.93Å
19G98.2Very high97.9Very high34 Ų3435 Ų3535%0.35118%0.178SC..Hα-helixtrans-68.6-37.2-176.100000113.5L17 A22 A23L17-G19 PolarHBondContact O-N 3.2Å; G19-A22 PolarHBondContact O-N 3.37Å; G19-A23 WeakPolarHBondContact O-CB 3.42Å; G19-A23 PolarHBondContact O-N 3.28Å
20R98.4Very high97.9Very high122 Ų12234.2 Ų34.246%0.4617%0.174SC..Hα-helixtrans-68.7-42.5-179.7-68.8-174.1175.7-105.20.4111.5L17 I24 A125L17-R20 HydrophobicContact CB-CB 4.24Å; L17-R20 HydrophobicContact CB-CG 4.36Å; L17-R20 PolarHBondContact O-N 2.9Å; L17-R20 VanDerWaalsContact O-N 3.16Å; R20-I24 WeakPolarHBondContact O-CG1 3.41Å; R20-I24 PolarHBondContact O-N 3.34Å; R20-A125 HydrophobicContact CB-CB 3.81Å
21L98.6Very high97.8Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-64.9-45174.3-17863.2000110.4L11 H16 L17 A23 I24 V25 V37 I43 F82 V122 A125L11-L21 HydrophobicContact CD1-CD1 4.2Å; H16-L21 HydrophobicContact CB-CB 4.15Å; H16-L21 HydrophobicContact CB-CD2 3.86Å; H16-L21 HydrophobicContact CB-CG 4.44Å; L17-L21 PolarHBondContact O-N 3.02Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.86Å; L21-I24 PolarHBondContact O-N 3.15Å; L21-V25 HydrophobicContact CD1-CG2 4.1Å; L21-V25 HydrophobicContact CG-CG2 4.24Å; L21-V25 WeakPolarHBondContact O-CB 3.32Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 3.09Å; L21-V37 HydrophobicContact CD2-CG1 4.17Å; L21-I43 HydrophobicContact CD2-CD1 4.34Å; L21-F82 HydrophobicContact CB-CE2 4.17Å; L21-F82 HydrophobicContact CD2-CE2 3.94Å; L21-F82 HydrophobicContact CD2-CZ 3.98Å; L21-F82 HydrophobicContact CG-CE2 3.94Å; L21-F82 HydrophobicContact CG-CZ 3.91Å; L21-V122 HydrophobicContact CD1-CB 4.26Å; L21-V122 HydrophobicContact CD1-CG2 3.99Å; L21-A125 HydrophobicContact CB-CB 4.07Å
22A98.6Very high97.6Very high0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-59.3-41.4-179.600000112.5L18 G19 V25 A26 F82 T85 V86 M89L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.14Å; L18-A22 PolarHBondContact O-N 3.16Å; G19-A22 PolarHBondContact O-N 3.37Å; A22-V25 PolarHBondContact O-N 3.16Å; A22-A26 VanDerWaalsContact O-CB 3.27Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 3.39Å; A22-F82 HydrophobicContact CB-CD2 4.42Å; A22-F82 HydrophobicContact CB-CE2 3.82Å; A22-F82 HydrophobicContact CB-CZ 4.44Å; A22-T85 HydrophobicContact CB-CG2 3.79Å; A22-V86 HydrophobicContact CB-CG2 3.73Å; A22-M89 VanDerWaalsContact C-SD 3.55Å; A22-M89 HydrophobicContact CB-CE 4.04Å; A22-M89 HydrophobicContact CB-SD 3.71Å
23A98.5Very high97.4Very high51 Ų5140.1 Ų40.142%0.42121%0.208SC..Hα-helixtrans-64.4-44.5179.700000112.4G19 L21 A26 K27 M89G19-A23 WeakPolarHBondContact O-CB 3.42Å; G19-A23 PolarHBondContact O-N 3.28Å; L21-A23 VanDerWaalsContact C-N 3.33Å; L21-A23 PolarHBondContact O-N 2.86Å; A23-A26 PolarHBondContact O-N 2.87Å; A23-K27 PolarHBondContact O-N 3.35Å; A23-M89 VanDerWaalsContact CA-SD 3.53Å; A23-M89 HydrophobicContact CB-CE 4.47Å; A23-M89 HydrophobicContact CB-SD 3.99Å; A23-M89 PolarHBondContact N-SD 3.49Å; A23-M89 VanDerWaalsContact N-SD 3.37Å
24I98.2Very high97.3Very high54 Ų5444.8 Ų44.828%0.27723%0.228SC..Hα-helixtrans-65.2-46.1177.4-65.1171.2000109.7R20 L21 A26 K27 Q28 V122 A124 A125R20-I24 WeakPolarHBondContact O-CG1 3.41Å; R20-I24 PolarHBondContact O-N 3.34Å; L21-I24 PolarHBondContact O-N 3.15Å; I24-A26 VanDerWaalsContact C-N 3.35Å; I24-A26 PolarHBondContact O-N 2.85Å; I24-K27 PolarHBondContact O-N 3.44Å; I24-Q28 HydrophobicContact CG2-CG 4.47Å; I24-Q28 VanDerWaalsContact O-CG 3.31Å; I24-Q28 WeakPolarHBondContact O-CG 3.48Å; I24-Q28 PolarHBondContact O-N 3.08Å; I24-Q28 VanDerWaalsContact O-N 3.07Å; I24-V122 HydrophobicContact CD1-CG1 3.44Å; I24-V122 VanDerWaalsContact CD1-CG1 3.44Å; I24-V122 HydrophobicContact CG2-CG1 4.16Å; I24-A124 HydrophobicContact CD1-CB 3.93Å; I24-A125 HydrophobicContact CD1-CB 4.25Å
25V98.3Very high97.3Very high0 Ų037.6 Ų37.60%020%0.201CC..Hα-helixtrans-60.3-43.8177.7170.40000111.4L11 L21 A22 K27 Q28 V29 V35 V37 F82 V86 L104L11-V25 HydrophobicContact CD1-CG2 3.7Å; L21-V25 HydrophobicContact CD1-CG2 4.1Å; L21-V25 HydrophobicContact CG-CG2 4.24Å; L21-V25 WeakPolarHBondContact O-CB 3.32Å; L21-V25 VanDerWaalsContact O-CG2 3.27Å; L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 3.09Å; A22-V25 PolarHBondContact O-N 3.16Å; V25-K27 VanDerWaalsContact C-N 3.33Å; V25-K27 PolarHBondContact O-N 2.95Å; V25-Q28 PolarHBondContact O-N 3.34Å; V25-V29 HydrophobicContact CG1-CG1 4.44Å; V25-V29 WeakPolarHBondContact O-CG2 3.48Å; V25-V29 PolarHBondContact O-N 2.86Å; V25-V35 HydrophobicContact CG1-CB 4.43Å; V25-V35 HydrophobicContact CG1-CG1 4.07Å; V25-V35 HydrophobicContact CG2-CG1 4.26Å; V25-V37 HydrophobicContact CG2-CG2 4.21Å; V25-F82 HydrophobicContact CB-CZ 4.47Å; V25-F82 HydrophobicContact CG2-CZ 4.24Å; V25-V86 HydrophobicContact CG1-CG1 4.47Å; V25-V86 HydrophobicContact CG1-CG2 4.36Å; V25-L104 HydrophobicContact CG1-CD1 3.62Å
26A98.3Very high97.4Very high5 Ų536.8 Ų36.84%0.04119%0.193CC..Hα-helixtrans-57.2-44.6177.700000111.9A22 A23 I24 V29 L30 V86 M89 L90A22-A26 VanDerWaalsContact O-CB 3.27Å; A22-A26 WeakPolarHBondContact O-CB 3.49Å; A22-A26 PolarHBondContact O-N 3.39Å; A23-A26 PolarHBondContact O-N 2.87Å; I24-A26 VanDerWaalsContact C-N 3.35Å; I24-A26 PolarHBondContact O-N 2.85Å; A26-V29 WeakPolarHBondContact O-CG2 3.44Å; A26-L30 WeakPolarHBondContact O-CG 3.18Å; A26-L30 PolarHBondContact O-N 3.21Å; A26-V86 HydrophobicContact CB-CG1 4.18Å; A26-M89 HydrophobicContact CB-CB 3.9Å; A26-L90 HydrophobicContact CB-CD2 4Å; A26-L90 HydrophobicContact CB-CG 4.3Å
27K97.8Very high97.3Very high128 Ų12836.8 Ų36.856%0.55719%0.193SC*.Hα-helixtrans-65.2-42.9176.7-173.962177.1-175.50111.8A23 I24 V25 V29 L30 L31A23-K27 PolarHBondContact O-N 3.35Å; I24-K27 PolarHBondContact O-N 3.44Å; V25-K27 VanDerWaalsContact C-N 3.33Å; V25-K27 PolarHBondContact O-N 2.95Å; K27-V29 PolarHBondContact O-N 3.33Å; K27-L30 PolarHBondContact O-N 2.9Å; K27-L31 HydrophobicContact CG-CD1 4.23Å; K27-L31 WeakPolarHBondContact O-CG 3.27Å; K27-L31 PolarHBondContact O-N 3.48Å
28Q96.5Very high97.3Very high58 Ų5836.2 Ų36.227%0.27119%0.19SC..Hα-helixtrans-62.2-42.1179.9-67.5-60.6-37.800112.4I24 V25 L30 L31 G32 H33 V35I24-Q28 HydrophobicContact CG2-CG 4.47Å; I24-Q28 VanDerWaalsContact O-CG 3.31Å; I24-Q28 WeakPolarHBondContact O-CG 3.48Å; I24-Q28 PolarHBondContact O-N 3.08Å; I24-Q28 VanDerWaalsContact O-N 3.07Å; V25-Q28 PolarHBondContact O-N 3.34Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 3.29Å; Q28-L31 PolarHBondContact O-N 3.31Å; Q28-G32 PolarHBondContact O-N 3.36Å; Q28-H33 HydrophobicContact CB-CB 4.46Å; Q28-H33 WeakPolarHBondContact O-CB 3.4Å; Q28-H33 PolarHBondContact O-CD2 3.05Å; Q28-H33 PolarHBondContact O-N 3.23Å; Q28-H33 PolarHBondContact OE1-CD2 3.48Å; Q28-V35 HydrophobicContact CB-CG2 4.06Å
29V96.9Very high97.3Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-71.3-28.8178.4-61.40000113.1V25 A26 K27 G32 V35 L90 A100 R103 L104V25-V29 HydrophobicContact CG1-CG1 4.44Å; V25-V29 WeakPolarHBondContact O-CG2 3.48Å; V25-V29 PolarHBondContact O-N 2.86Å; A26-V29 WeakPolarHBondContact O-CG2 3.44Å; K27-V29 PolarHBondContact O-N 3.33Å; V29-G32 PolarHBondContact O-N 3.44Å; V29-V35 HydrophobicContact CG1-CB 4.03Å; V29-V35 HydrophobicContact CG1-CG2 3.79Å; V29-L90 HydrophobicContact CG2-CD1 4Å; V29-L90 HydrophobicContact CG2-CD2 4.09Å; V29-A100 HydrophobicContact CB-CB 4.44Å; V29-A100 WeakPolarHBondContact CB-O 3.48Å; V29-A100 HydrophobicContact CG2-CB 4.16Å; V29-R103 HydrophobicContact CB-CB 4.49Å; V29-R103 HydrophobicContact CG1-CB 4.49Å; V29-R103 PolarHBondContact O-NH1 3.27Å; V29-L104 HydrophobicContact CG1-CB 4.3Å
30L96.3Very high97.3Very high40 Ų4034.9 Ų34.921%0.20917%0.172CC..Hα-helixtrans-70.9-31172.2-78.3172.6000113.2A26 K27 Q28 G32 L90 A100A26-L30 WeakPolarHBondContact O-CG 3.18Å; A26-L30 PolarHBondContact O-N 3.21Å; K27-L30 PolarHBondContact O-N 2.9Å; Q28-L30 VanDerWaalsContact C-N 3.34Å; Q28-L30 PolarHBondContact O-N 3.29Å; L30-G32 PolarHBondContact O-N 3.36Å; L30-L90 HydrophobicContact CD1-CD2 3.67Å; L30-L90 HydrophobicContact CD2-CD2 3.94Å; L30-L90 HydrophobicContact CG-CD2 3.5Å; L30-L90 VanDerWaalsContact CG-CD2 3.5Å; L30-A100 HydrophobicContact CD2-CB 4.04Å
31L95.1Very high97.3Very high88 Ų8830.5 Ų30.546%0.46116%0.157SC..THydrogen-bonded Turntrans-74.1-9.4172.2-69.4171.2000112.6F5 K27 Q28F5-L31 WeakPolarHBondContact CE1-O 3.48Å; K27-L31 HydrophobicContact CG-CD1 4.23Å; K27-L31 WeakPolarHBondContact O-CG 3.27Å; K27-L31 PolarHBondContact O-N 3.48Å; Q28-L31 PolarHBondContact O-N 3.31Å
32G93Very high97.3Very high19 Ų1931 Ų3120%0.19616%0.163CC..THydrogen-bonded Turntrans105.3-0.6175.700000114.8Q28 V29 L30Q28-G32 PolarHBondContact O-N 3.36Å; V29-G32 PolarHBondContact O-N 3.44Å; L30-G32 PolarHBondContact O-N 3.36Å
33H94.7Very high97.3Very high39 Ų3931 Ų3118%0.18116%0.163CC..  trans-72.2137178.8-61.8-72.3000111.8R4 F5 Q28 V35R4-H33 PolarHBondContact O-ND1 3.43Å; F5-H33 AromaticContact CD1-CE1 3.54Å; F5-H33 AromaticContact CD1-ND1 3.72Å; F5-H33 AromaticContact CD1-NE2 3.99Å; F5-H33 AromaticContact CE1-CE1 3.55Å; F5-H33 AromaticContact CE1-NE2 3.63Å; Q28-H33 HydrophobicContact CB-CB 4.46Å; Q28-H33 WeakPolarHBondContact O-CB 3.4Å; Q28-H33 PolarHBondContact O-CD2 3.05Å; Q28-H33 PolarHBondContact O-N 3.23Å; Q28-H33 PolarHBondContact OE1-CD2 3.48Å; H33-V35 HydrophobicContact CB-CG2 4.34Å
34K95.8Very high97.3Very high99 Ų9928.9 Ų28.943%0.4314%0.144SC..  trans-80116.8168.5-65.8176.2-175.91720109V8 L9 R103V8-K34 WeakPolarHBondContact CA-O 3.43Å; V8-K34 HydrophobicContact CG2-CB 4.21Å; L9-K34 PolarHBondContact N-O 3Å; K34-R103 HydrophobicContact CG-CG 4.42Å
35V97.3Very high97.3Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-117.4132.7-175.3-175.30000110L9 L11 V25 Q28 V29 H33 V37 R103 L104 K105L9-V35 HydrophobicContact CB-CG2 4.35Å; L9-V35 HydrophobicContact CD2-CG2 4.27Å; L9-V35 WeakPolarHBondContact O-CA 3.46Å; L11-V35 HydrophobicContact CD1-CG1 3.82Å; L11-V35 HydrophobicContact CG-CG1 4.23Å; V25-V35 HydrophobicContact CG1-CB 4.43Å; V25-V35 HydrophobicContact CG1-CG1 4.07Å; V25-V35 HydrophobicContact CG2-CG1 4.26Å; Q28-V35 HydrophobicContact CB-CG2 4.06Å; V29-V35 HydrophobicContact CG1-CB 4.03Å; V29-V35 HydrophobicContact CG1-CG2 3.79Å; H33-V35 HydrophobicContact CB-CG2 4.34Å; V35-V37 HydrophobicContact CG1-CG2 4.18Å; V35-R103 PolarHBondContact N-O 3.42Å; V35-L104 HydrophobicContact CB-CD1 4.38Å; V35-L104 WeakPolarHBondContact O-CA 3.43Å; V35-K105 PolarHBondContact O-N 3.25Å
36V98.3Very high97.3Very high3 Ų330.7 Ų30.72%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-120.4120.6173.8-178.10000108.7V8 L9 L10 L11 V38 K105 F107 Y114V8-V36 HydrophobicContact CG1-CB 4.18Å; V8-V36 HydrophobicContact CG1-CG2 3.39Å; L9-V36 PolarHBondContact O-N 3Å; L10-V36 CarbonylContact C-O 3.55Å; L10-V36 WeakPolarHBondContact CA-O 3.42Å; L10-V36 HydrophobicContact CD1-CB 3.9Å; L10-V36 HydrophobicContact CD1-CG1 3.77Å; L11-V36 PolarHBondContact N-O 3.19Å; V36-V38 HydrophobicContact CG1-CG1 4.1Å; V36-K105 CarbonylContact C-O 3.56Å; V36-K105 VanDerWaalsContact CA-O 3.28Å; V36-K105 WeakPolarHBondContact CA-O 3.45Å; V36-K105 HydrophobicContact CG1-CB 4.32Å; V36-K105 HydrophobicContact CG2-CB 4.06Å; V36-K105 HydrophobicContact CG2-CG 4.46Å; V36-F107 HydrophobicContact CG1-CD2 3.82Å; V36-F107 HydrophobicContact CG1-CE2 3.73Å; V36-Y114 HydrophobicContact CB-CE1 4.19Å; V36-Y114 HydrophobicContact CG1-CD1 4.21Å; V36-Y114 HydrophobicContact CG1-CD2 4.46Å; V36-Y114 HydrophobicContact CG1-CE1 3.88Å; V36-Y114 HydrophobicContact CG1-CE2 4.16Å; V36-Y114 HydrophobicContact CG1-CG 4.48Å; V36-Y114 HydrophobicContact CG2-CE1 3.9Å
37V98.5Very high97.2Very high0 Ų031.9 Ų31.90%017%0.171CC..EExtended strand (participates in β ladder)trans-106.4119.7174.5-1740000108.9L11 L21 V25 V35 F82 L104 K105 V106 F107L11-V37 HydrophobicContact CB-CG2 4.29Å; L11-V37 HydrophobicContact CD1-CG2 4.3Å; L21-V37 HydrophobicContact CD2-CG1 4.17Å; V25-V37 HydrophobicContact CG2-CG2 4.21Å; V35-V37 HydrophobicContact CG1-CG2 4.18Å; V37-F82 HydrophobicContact CB-CD1 4.41Å; V37-F82 HydrophobicContact CB-CE1 3.89Å; V37-F82 HydrophobicContact CG1-CD1 4.41Å; V37-F82 HydrophobicContact CG1-CE1 4.01Å; V37-F82 HydrophobicContact CG1-CZ 4.44Å; V37-F82 HydrophobicContact CG2-CE1 3.62Å; V37-F82 HydrophobicContact CG2-CZ 4.1Å; V37-L104 HydrophobicContact CG2-CD1 4.44Å; V37-K105 PolarHBondContact N-O 3.41Å; V37-V106 HydrophobicContact CB-CG1 4.47Å; V37-V106 CarbonylContact O-C 3.52Å; V37-V106 WeakPolarHBondContact O-CA 3.34Å; V37-F107 PolarHBondContact O-N 3.35Å
38V98.6Very high97.2Very high0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-107.7162.4177.6-64.10000110.4L10 L11 G13 V36 F107 I110 Y114 R119L10-V38 HydrophobicContact CD1-CG1 3.73Å; L10-V38 HydrophobicContact CD1-CG2 4.16Å; L11-V38 WeakPolarHBondContact O-CG2 3.36Å; L11-V38 PolarHBondContact O-N 2.83Å; G13-V38 WeakPolarHBondContact CA-O 3.47Å; G13-V38 PolarHBondContact N-O 3.21Å; V36-V38 HydrophobicContact CG1-CG1 4.1Å; V38-F107 HydrophobicContact CG1-CB 4.44Å; V38-F107 HydrophobicContact CG1-CD2 4.19Å; V38-I110 HydrophobicContact CB-CB 4.49Å; V38-I110 HydrophobicContact CB-CG1 4.03Å; V38-I110 HydrophobicContact CB-CG2 4.36Å; V38-I110 HydrophobicContact CG1-CG2 4.29Å; V38-I110 HydrophobicContact CG2-CD1 4.33Å; V38-I110 HydrophobicContact CG2-CG1 3.94Å; V38-I110 HydrophobicContact CG2-CG2 4.35Å; V38-Y114 HydrophobicContact CG1-CG 4.49Å; V38-R119 HydrophobicContact CG2-CG 4.07Å
39R98Very high97.3Very high26 Ų2627.2 Ų27.210%0.09815%0.153CC..  trans57.847.1-178.8-65.8171.562.6-156.521114D12 E41 G42 F107 G109 I110 E159D12-R39 VanDerWaalsContact CG-NH1 3.26Å; D12-R39 IonicContact OD1-CZ 2.94Å; D12-R39 IonicContact OD1-NE 2.72Å; D12-R39 IonicContact OD1-NH1 2.69Å; D12-R39 PolarHBondContact OD1-NH1 3.18Å; D12-R39 IonicContact OD2-NH1 3.79Å; D12-R39 PolarHBondContact OD2-NH1 3.32Å; R39-E41 WeakPolarHBondContact CA-OE1 3.44Å; R39-E41 WeakPolarHBondContact CA-OE2 3.45Å; R39-E41 WeakPolarHBondContact CB-OE1 3.4Å; R39-E41 WeakPolarHBondContact CG-OE1 3.4Å; R39-E41 PolarHBondContact O-N 2.97Å; R39-G42 PolarHBondContact O-N 3.36Å; R39-F107 PolarHBondContact N-O 3.26Å; R39-G109 PolarHBondContact N-O 2.98Å; R39-I110 VanDerWaalsContact CD-CG1 3.5Å; R39-I110 HydrophobicContact CG-CD1 3.92Å; R39-I110 HydrophobicContact CG-CG1 3.42Å; R39-I110 VanDerWaalsContact CG-CG1 3.42Å; R39-E159 IonicContact NE-OE2 3.65Å
40C98.6Very high97.4Very high0 Ų034.7 Ų34.70%018%0.183CC..G310 helixtrans-61.8-25.6178.7-65.40000112.4G42 I43 P78 S79 F107C40-G42 PolarHBondContact O-N 3.28Å; C40-I43 HydrophobicContact CB-CD1 4.11Å; C40-I43 WeakPolarHBondContact O-CB 3.43Å; C40-I43 WeakPolarHBondContact O-CG1 3.28Å; C40-I43 PolarHBondContact O-N 3.45Å; C40-P78 HydrophobicContact CB-CB 4.17Å; C40-S79 VanDerWaalsContact CB-CA 3.49Å; C40-F107 PolarHBondContact N-O 3.07Å; C40-F107 VanDerWaalsContact N-O 3.12Å; C40-F107 PolarHBondContact SG-O 3.45Å
41E98.3Very high97.5Very high31 Ų3140.3 Ų40.315%0.14520%0.201CC..G310 helixtrans-61.2-27.8173.176.1-66.7158.900113.1R39 I43 P78 D108 G109 L139 G141 W149R39-E41 WeakPolarHBondContact CA-OE1 3.44Å; R39-E41 WeakPolarHBondContact CA-OE2 3.45Å; R39-E41 WeakPolarHBondContact CB-OE1 3.4Å; R39-E41 WeakPolarHBondContact CG-OE1 3.4Å; R39-E41 PolarHBondContact O-N 2.97Å; E41-I43 VanDerWaalsContact C-N 3.35Å; E41-P78 HydrophobicContact CB-CB 4.37Å; E41-P78 HydrophobicContact CB-CG 4.03Å; E41-D108 WeakPolarHBondContact OE2-CA 3.31Å; E41-G109 PolarHBondContact OE2-N 3.37Å; E41-L139 VanDerWaalsContact O-CD2 3.28Å; E41-L139 WeakPolarHBondContact O-CD2 3.48Å; E41-L139 WeakPolarHBondContact O-CG 3.3Å; E41-G141 WeakPolarHBondContact O-CA 3.46Å; E41-G141 PolarHBondContact O-N 2.81Å; E41-W149 HydrophobicContact CB-CH2 4.14Å; E41-W149 HydrophobicContact CB-CZ3 4.36Å
42G98Very high97.6Very high11 Ų1136.7 Ų36.711%0.11318%0.182CC..G310 helixtrans-86.21.3178.500000115R14 G15 R39 C40R14-G42 WeakPolarHBondContact CA-O 3.45Å; G15-G42 PolarHBondContact N-O 3.15Å; R39-G42 PolarHBondContact O-N 3.36Å; C40-G42 PolarHBondContact O-N 3.28Å
43I98.6Very high97.9Very high0 Ų038.4 Ų38.40%018%0.184CC..  trans-69.8143.3174.8-66.3172.3000109.2G13 L18 L21 C40 E41 F82 L140G13-I43 WeakPolarHBondContact O-CG1 3.37Å; L18-I43 HydrophobicContact CB-CG2 3.77Å; L18-I43 HydrophobicContact CD1-CG2 3.86Å; L18-I43 HydrophobicContact CG-CG2 4.47Å; L21-I43 HydrophobicContact CD2-CD1 4.34Å; C40-I43 HydrophobicContact CB-CD1 4.11Å; C40-I43 WeakPolarHBondContact O-CB 3.43Å; C40-I43 WeakPolarHBondContact O-CG1 3.28Å; C40-I43 PolarHBondContact O-N 3.45Å; E41-I43 VanDerWaalsContact C-N 3.35Å; I43-F82 HydrophobicContact CD1-CB 4.15Å; I43-F82 HydrophobicContact CD1-CD2 3.77Å; I43-F82 HydrophobicContact CD1-CE2 4.32Å; I43-F82 HydrophobicContact CD1-CG 3.91Å; I43-L140 HydrophobicContact CB-CB 4.21Å; I43-L140 HydrophobicContact CB-CD2 4.09Å; I43-L140 HydrophobicContact CG2-CD2 4.37Å; I43-L140 WeakPolarHBondContact O-CB 3.11Å; I43-L140 PolarHBondContact O-N 2.77Å
44N98.5Very high98Very high6 Ų640.6 Ų40.63%0.03220%0.197CC..EExtended strand (participates in β ladder)trans-107.8153.3178.2-60.4-56.8000111.7G15 H16 L17 L18 K127 F137 A138G15-N44 WeakPolarHBondContact CA-ND2 3.45Å; H16-N44 PolarHBondContact O-N 3.02Å; L17-N44 CarbonylContact C-O 3.51Å; L17-N44 VanDerWaalsContact CA-O 3.3Å; L17-N44 WeakPolarHBondContact CA-O 3.37Å; L17-N44 HydrophobicContact CD2-CB 4.37Å; L18-N44 PolarHBondContact N-O 2.91Å; N44-K127 HydrophobicContact CB-CG 4.45Å; N44-K127 VanDerWaalsContact ND2-CE 3.26Å; N44-K127 WeakPolarHBondContact ND2-CE 3.47Å; N44-F137 HydrophobicContact CB-CD2 4.02Å; N44-F137 WeakPolarHBondContact OD1-CD2 3.3Å; N44-F137 WeakPolarHBondContact OD1-CE2 3.41Å; N44-A138 CarbonylContact C-O 3.22Å; N44-A138 VanDerWaalsContact CA-O 3.28Å; N44-A138 WeakPolarHBondContact CA-O 3.45Å
45I98.3Very high98.1Very high28 Ų2842.5 Ų42.514%0.14421%0.205CC..EExtended strand (participates in β ladder)trans-120.9135.4168.6-50173.1000107.2L18 N52 F137 A138 L140 L143L18-I45 HydrophobicContact CB-CG1 3.99Å; L18-I45 HydrophobicContact CD2-CD1 3.97Å; L18-I45 HydrophobicContact CD2-CG1 4.06Å; I45-N52 VanDerWaalsContact CG2-OD1 3.25Å; I45-N52 WeakPolarHBondContact CG2-OD1 3.47Å; I45-F137 CarbonylContact O-C 3.34Å; I45-F137 WeakPolarHBondContact O-CA 3.33Å; I45-F137 WeakPolarHBondContact O-CB 3.35Å; I45-A138 PolarHBondContact N-O 3.42Å; I45-A138 PolarHBondContact O-N 3.27Å; I45-L140 HydrophobicContact CD1-CD1 4.02Å; I45-L143 HydrophobicContact CD1-CD2 3.84Å
46S97.7Very high98.2Very high64 Ų6443.6 Ų43.645%0.44821%0.209SC..EExtended strand (participates in β ladder)trans-64.7152.4174.852.90000111.6N52S46-N52 PolarHBondContact O-ND2 3.3Å; S46-N52 VanDerWaalsContact O-ND2 3.15Å
47G97.4Very high98.1Very high29 Ų2946.1 Ų46.130%0.29922%0.222SC..SBendtrans89.9161.5-177.100000112.1N52 K136 F137 A138G47-N52 PolarHBondContact O-ND2 3.44Å; G47-K136 CarbonylContact C-O 3.58Å; G47-K136 WeakPolarHBondContact CA-O 3.37Å; G47-K136 PolarHBondContact N-O 3.28Å; G47-F137 CarbonylContact O-C 3.56Å; G47-F137 WeakPolarHBondContact O-CA 3.25Å; G47-A138 PolarHBondContact O-N 2.86Å
48N97.8Very high98.1Very high58 Ų5848.5 Ų48.531%0.3124%0.242SC..  trans-63.4161-176.673.931.5000112.1Y50 R51 N52 K136N48-Y50 PolarHBondContact OD1-N 3.39Å; N48-R51 WeakPolarHBondContact OD1-CB 3.4Å; N48-R51 WeakPolarHBondContact OD1-CG 3.44Å; N48-R51 PolarHBondContact OD1-N 2.92Å; N48-N52 PolarHBondContact O-N 3.08Å; N48-N52 PolarHBondContact O-ND2 3.14Å; N48-K136 HydrophobicContact CB-CB 4.19Å; N48-K136 HydrophobicContact CB-CD 4.31Å
49F98.3Very high98.1Very high31 Ų3149.8 Ų49.814%0.13625%0.248CC..Hα-helixtrans-60.5-47.6-178.6179.4-98000112.8R51 N52 K53 A138 R142 L143 E146F49-R51 PolarHBondContact O-N 3.37Å; F49-N52 PolarHBondContact O-N 2.85Å; F49-N52 VanDerWaalsContact O-N 3.09Å; F49-K53 HydrophobicContact CE1-CB 4.35Å; F49-K53 HydrophobicContact CE1-CD 4.15Å; F49-K53 PolarHBondContact O-N 3.25Å; F49-A138 HydrophobicContact CB-CB 4.42Å; F49-A138 HydrophobicContact CD2-CB 4.12Å; F49-R142 HydrophobicContact CD2-CG 4.31Å; F49-R142 HydrophobicContact CE2-CB 4.06Å; F49-R142 HydrophobicContact CE2-CG 3.6Å; F49-R142 HydrophobicContact CZ-CG 3.89Å; F49-L143 HydrophobicContact CE2-CB 4.08Å; F49-E146 WeakPolarHBondContact CE1-OE1 3.48Å; F49-E146 WeakPolarHBondContact CE1-OE2 3.3Å; F49-E146 HydrophobicContact CZ-CB 4.36Å; F49-E146 HydrophobicContact CZ-CG 4.05Å; F49-E146 WeakPolarHBondContact CZ-OE1 3.36Å; F49-E146 WeakPolarHBondContact CZ-OE2 3.48Å
50Y98.1Very high98Very high157 Ų15750.4 Ų50.462%0.61625%0.253SS*.Hα-helixtrans-60-43.9-175.2-168-100.4000113N48 N52 K53 L54N48-Y50 PolarHBondContact OD1-N 3.39Å; Y50-N52 VanDerWaalsContact C-N 3.33Å; Y50-N52 PolarHBondContact O-N 3.03Å; Y50-K53 WeakPolarHBondContact O-CB 3.44Å; Y50-K53 PolarHBondContact O-N 3Å; Y50-L54 HydrophobicContact CD1-CD1 3.85Å; Y50-L54 HydrophobicContact CD1-CG 4.21Å; Y50-L54 HydrophobicContact CE1-CD1 3.51Å; Y50-L54 HydrophobicContact CE1-CD2 4.41Å; Y50-L54 HydrophobicContact CE1-CG 3.98Å; Y50-L54 WeakPolarHBondContact O-CG 3.5Å; Y50-L54 PolarHBondContact O-N 3.27Å
51R97.9Very high97.9Very high158 Ų15859.9 Ų59.960%0.59629%0.289SS*.Hα-helixtrans-61.4-41.3175.3-72.5174.269.2162.93.8111.8N48 F49 L54 K55N48-R51 WeakPolarHBondContact OD1-CB 3.4Å; N48-R51 WeakPolarHBondContact OD1-CG 3.44Å; N48-R51 PolarHBondContact OD1-N 2.92Å; F49-R51 PolarHBondContact O-N 3.37Å; R51-L54 PolarHBondContact O-N 2.97Å; R51-K55 WeakPolarHBondContact O-CG 3.42Å; R51-K55 PolarHBondContact O-N 3.18Å
52N98.4Very high97.9Very high11 Ų1165.1 Ų65.16%0.05931%0.311CS..Hα-helixtrans-68.6-36.9177.7-76.8-61.8000111.7I45 S46 G47 N48 F49 Y50 K55 Y56 A138 L143I45-N52 VanDerWaalsContact CG2-OD1 3.25Å; I45-N52 WeakPolarHBondContact CG2-OD1 3.47Å; S46-N52 PolarHBondContact O-ND2 3.3Å; S46-N52 VanDerWaalsContact O-ND2 3.15Å; G47-N52 PolarHBondContact O-ND2 3.44Å; N48-N52 PolarHBondContact O-N 3.08Å; N48-N52 PolarHBondContact O-ND2 3.14Å; F49-N52 PolarHBondContact O-N 2.85Å; F49-N52 VanDerWaalsContact O-N 3.09Å; Y50-N52 VanDerWaalsContact C-N 3.33Å; Y50-N52 PolarHBondContact O-N 3.03Å; N52-K55 PolarHBondContact O-N 3.48Å; N52-Y56 PolarHBondContact O-N 3.32Å; N52-Y56 VanDerWaalsContact O-N 3.09Å; N52-A138 HydrophobicContact CB-CB 4.06Å; N52-L143 HydrophobicContact CB-CD2 4.46Å
53K98.1Very high97.8Very high56 Ų5673.1 Ų73.124%0.24334%0.338CS..Hα-helixtrans-60.5-50.7171.7-173.6179.5-175.91710111.7F49 Y50 K55 Y56 L57 L143 E146F49-K53 HydrophobicContact CE1-CB 4.35Å; F49-K53 HydrophobicContact CE1-CD 4.15Å; F49-K53 PolarHBondContact O-N 3.25Å; Y50-K53 WeakPolarHBondContact O-CB 3.44Å; Y50-K53 PolarHBondContact O-N 3Å; K53-K55 VanDerWaalsContact C-N 3.32Å; K53-K55 PolarHBondContact O-N 3.48Å; K53-Y56 PolarHBondContact O-N 3.24Å; K53-L57 HydrophobicContact CG-CD1 3.98Å; K53-L57 HydrophobicContact CG-CG 4.29Å; K53-L57 WeakPolarHBondContact O-CG 3.21Å; K53-L57 PolarHBondContact O-N 3.26Å; K53-L143 HydrophobicContact CB-CD1 4.09Å; K53-E146 VanDerWaalsContact CD-OE2 3.3Å; K53-E146 WeakPolarHBondContact CD-OE2 3.31Å; K53-E146 VanDerWaalsContact CE-OE2 3.27Å; K53-E146 WeakPolarHBondContact CE-OE2 3.42Å; K53-E146 IonicContact NZ-OE2 3.93Å; K53-E146 PolarHBondContact NZ-OE2 3.45Å
54L98.3Very high97.8Very high84 Ų8476.4 Ų76.444%0.4435%0.354SS..Hα-helixtrans-58.5-42.5178-72.5-178.9000112.4Y50 R51 Y56 L57 A58Y50-L54 HydrophobicContact CD1-CD1 3.85Å; Y50-L54 HydrophobicContact CD1-CG 4.21Å; Y50-L54 HydrophobicContact CE1-CD1 3.51Å; Y50-L54 HydrophobicContact CE1-CD2 4.41Å; Y50-L54 HydrophobicContact CE1-CG 3.98Å; Y50-L54 WeakPolarHBondContact O-CG 3.5Å; Y50-L54 PolarHBondContact O-N 3.27Å; R51-L54 PolarHBondContact O-N 2.97Å; L54-Y56 VanDerWaalsContact C-N 3.3Å; L54-Y56 PolarHBondContact O-N 3.04Å; L54-L57 PolarHBondContact O-N 3.43Å; L54-A58 WeakPolarHBondContact O-CB 3.27Å; L54-A58 PolarHBondContact O-N 2.94Å
55K98.1Very high97.7Very high140 Ų14082.9 Ų82.961%0.60939%0.388SS*.Hα-helixtrans-58.1-42.8174.1-75.6177.9178.2-173.50112.1R51 N52 K53 F59R51-K55 WeakPolarHBondContact O-CG 3.42Å; R51-K55 PolarHBondContact O-N 3.18Å; N52-K55 PolarHBondContact O-N 3.48Å; K53-K55 VanDerWaalsContact C-N 3.32Å; K53-K55 PolarHBondContact O-N 3.48Å; K55-F59 PolarHBondContact O-N 3.05Å
56Y97.8Very high97.6Very high23 Ų2387.7 Ų87.79%0.0942%0.419CS..Hα-helixtrans-70.2-42.9179-152.6-86.6000111.8N52 K53 L54 A58 F59 L60 F75 I81 L143 V147N52-Y56 PolarHBondContact O-N 3.32Å; N52-Y56 VanDerWaalsContact O-N 3.09Å; K53-Y56 PolarHBondContact O-N 3.24Å; L54-Y56 VanDerWaalsContact C-N 3.3Å; L54-Y56 PolarHBondContact O-N 3.04Å; Y56-A58 VanDerWaalsContact C-N 3.3Å; Y56-A58 PolarHBondContact O-N 3.28Å; Y56-F59 HydrophobicContact CE1-CD1 4.48Å; Y56-F59 WeakPolarHBondContact O-CA 3.38Å; Y56-F59 VanDerWaalsContact O-CB 3.3Å; Y56-F59 WeakPolarHBondContact O-CB 3.46Å; Y56-F59 PolarHBondContact O-N 3Å; Y56-L60 HydrophobicContact CD1-CD1 4.37Å; Y56-L60 HydrophobicContact CD1-CD2 3.95Å; Y56-L60 HydrophobicContact CD1-CG 4.09Å; Y56-L60 HydrophobicContact CE1-CD2 3.71Å; Y56-L60 HydrophobicContact CE1-CG 4.35Å; Y56-L60 WeakPolarHBondContact O-CG 3.45Å; Y56-L60 PolarHBondContact O-N 2.96Å; Y56-F75 PolarHBondContact OH-O 3.37Å; Y56-I81 HydrophobicContact CE2-CD1 3.83Å; Y56-I81 HydrophobicContact CE2-CG1 4.02Å; Y56-I81 HydrophobicContact CE2-CG2 4.33Å; Y56-I81 WeakPolarHBondContact OH-CG1 3.48Å; Y56-L143 HydrophobicContact CD2-CD2 4.45Å; Y56-V147 HydrophobicContact CD1-CB 3.83Å; Y56-V147 HydrophobicContact CD1-CG1 3.59Å; Y56-V147 HydrophobicContact CD1-CG2 3.81Å; Y56-V147 HydrophobicContact CE1-CB 4.08Å; Y56-V147 HydrophobicContact CE1-CG1 4.32Å; Y56-V147 HydrophobicContact CE1-CG2 3.66Å; Y56-V147 HydrophobicContact CG-CG1 4.13Å
57L98.1Very high97.6Very high55 Ų5587.9 Ų87.929%0.28842%0.415SS..Hα-helixtrans-60.8-39176.4-69.3174.9000112K53 L54 F59 L60 R61K53-L57 HydrophobicContact CG-CD1 3.98Å; K53-L57 HydrophobicContact CG-CG 4.29Å; K53-L57 WeakPolarHBondContact O-CG 3.21Å; K53-L57 PolarHBondContact O-N 3.26Å; L54-L57 PolarHBondContact O-N 3.43Å; L57-F59 VanDerWaalsContact C-N 3.28Å; L57-F59 PolarHBondContact O-N 3.36Å; L57-L60 HydrophobicContact CD2-CD1 3.95Å; L57-L60 WeakPolarHBondContact O-CB 3.42Å; L57-L60 PolarHBondContact O-N 3.07Å; L57-L60 VanDerWaalsContact O-N 3.12Å; L57-R61 PolarHBondContact O-N 2.99Å
58A98.2Very high97.5Very high50 Ų5090.1 Ų90.141%0.41343%0.425SS..Hα-helixtrans-61.5-36.8172.500000112.1L54 Y56 R61L54-A58 WeakPolarHBondContact O-CB 3.27Å; L54-A58 PolarHBondContact O-N 2.94Å; Y56-A58 VanDerWaalsContact C-N 3.3Å; Y56-A58 PolarHBondContact O-N 3.28Å; A58-R61 PolarHBondContact O-N 3.01Å
59F97.1Very high97.5Very high28 Ų2890.8 Ų90.812%0.12343%0.434CS..Hα-helixtrans-64.4-41.8171.8170.7-122.7000111.7K55 Y56 L57 R61 K62 P72 H74 R84K55-F59 PolarHBondContact O-N 3.05Å; Y56-F59 HydrophobicContact CE1-CD1 4.48Å; Y56-F59 WeakPolarHBondContact O-CA 3.38Å; Y56-F59 VanDerWaalsContact O-CB 3.3Å; Y56-F59 WeakPolarHBondContact O-CB 3.46Å; Y56-F59 PolarHBondContact O-N 3Å; L57-F59 VanDerWaalsContact C-N 3.28Å; L57-F59 PolarHBondContact O-N 3.36Å; F59-R61 PolarHBondContact O-N 3.27Å; F59-K62 HydrophobicContact CD2-CD 4.46Å; F59-K62 VanDerWaalsContact O-CB 3.27Å; F59-K62 WeakPolarHBondContact O-CB 3.33Å; F59-K62 PolarHBondContact O-N 3.01Å; F59-P72 HydrophobicContact CE2-CB 4.41Å; F59-H74 AromaticContact CD1-ND1 3.55Å; F59-H74 AromaticContact CD2-CE1 4Å; F59-H74 AromaticContact CD2-ND1 3.89Å; F59-H74 HydrophobicContact CE1-CB 4.2Å; F59-H74 AromaticContact CE1-ND1 3.14Å; F59-H74 WeakPolarHBondContact CE1-ND1 3.49Å; F59-H74 AromaticContact CE2-CE1 3.7Å; F59-H74 AromaticContact CE2-ND1 3.48Å; F59-H74 WeakPolarHBondContact CE2-ND1 3.38Å; F59-H74 AromaticContact CG-ND1 3.9Å; F59-H74 AromaticContact CZ-CE1 3.77Å; F59-H74 AromaticContact CZ-ND1 3.07Å; F59-H74 WeakPolarHBondContact CZ-ND1 3.5Å; F59-H74 PolarHBondContact O-CE1 3.47Å; F59-R84 VanDerWaalsContact CZ-NH2 3.26Å
60L96.8Very high97.4Very high39 Ų3998.4 Ų98.420%0.20446%0.462CS..Hα-helixtrans-60.2-33178.2-58-172.1000113.8Y56 L57 K62 H74 R76 V147Y56-L60 HydrophobicContact CD1-CD1 4.37Å; Y56-L60 HydrophobicContact CD1-CD2 3.95Å; Y56-L60 HydrophobicContact CD1-CG 4.09Å; Y56-L60 HydrophobicContact CE1-CD2 3.71Å; Y56-L60 HydrophobicContact CE1-CG 4.35Å; Y56-L60 WeakPolarHBondContact O-CG 3.45Å; Y56-L60 PolarHBondContact O-N 2.96Å; L57-L60 HydrophobicContact CD2-CD1 3.95Å; L57-L60 WeakPolarHBondContact O-CB 3.42Å; L57-L60 PolarHBondContact O-N 3.07Å; L57-L60 VanDerWaalsContact O-N 3.12Å; L60-K62 PolarHBondContact O-N 3.38Å; L60-H74 HydrophobicContact CD2-CB 3.56Å; L60-H74 PolarHBondContact O-NE2 3.12Å; L60-R76 VanDerWaalsContact CD2-CZ 3.47Å; L60-V147 HydrophobicContact CD1-CB 4.37Å
61R97.3Very high97.3Very high199 Ų19991.5 Ų91.575%0.75144%0.438SS*.THydrogen-bonded Turntrans-66.4-19.9176.3-66.4178.7-169.3169.50.8112.7L57 A58 F59 R63L57-R61 PolarHBondContact O-N 2.99Å; A58-R61 PolarHBondContact O-N 3.01Å; F59-R61 PolarHBondContact O-N 3.27Å; R61-R63 PolarHBondContact O-N 3.31Å
62K97.1Very high97.2Very high140 Ų14087 Ų8761%0.60943%0.429SS*.  trans-74.198.5177-55.3-169.4179.5-157.60109.6F59 L60 H74F59-K62 HydrophobicContact CD2-CD 4.46Å; F59-K62 VanDerWaalsContact O-CB 3.27Å; F59-K62 WeakPolarHBondContact O-CB 3.33Å; F59-K62 PolarHBondContact O-N 3.01Å; L60-K62 PolarHBondContact O-N 3.38Å; K62-H74 PolarHBondContact O-CE1 3.1Å; K62-H74 PolarHBondContact O-NE2 3.4Å
63R96.9Very high97.2Very high180 Ų18094 Ų9468%0.67946%0.456SS*.  trans-126.8151.7174.765.6-178.3-175.2-178.82.4110.4R61 N65R61-R63 PolarHBondContact O-N 3.31Å; R63-N65 PolarHBondContact O-N 3.41Å
64M97.6Very high97.1Very high69 Ų6993.5 Ų93.534%0.3445%0.454SS..  trans-69.2128.4166.6179.7-179.5-7200107.8T66 N67 R70M64-T66 WeakPolarHBondContact CG-OG1 3.4Å; M64-N67 HydrophobicContact SD-CB 4.41Å; M64-N67 VanDerWaalsContact SD-O 3.33Å; M64-R70 HydrophobicContact CE-CB 4Å; M64-R70 HydrophobicContact SD-CB 3.83Å
65N96.6Very high97.1Very high142 Ų14292 Ų9276%0.75944%0.444SS*.SBendtrans-70.8-37.9-174.6-161.424.7000112.1R63R63-N65 PolarHBondContact O-N 3.41Å
66T97.4Very high97.1Very high129 Ų12988.8 Ų88.879%0.79143%0.428SS*.SBendtrans-75.8-52.8-176.553.20000112.7M64M64-T66 WeakPolarHBondContact CG-OG1 3.4Å
67N96.3Very high97.1Very high67 Ų6788.6 Ų88.636%0.35843%0.431SS..  trans-137.598.7176.7-173.2-15000110.9M64 S69 R70M64-N67 HydrophobicContact SD-CB 4.41Å; M64-N67 VanDerWaalsContact SD-O 3.33Å; N67-S69 VanDerWaalsContact CG-OG 3.32Å; N67-S69 PolarHBondContact ND2-OG 3.43Å; N67-S69 PolarHBondContact O-N 2.83Å; N67-S69 VanDerWaalsContact O-N 3.08Å; N67-S69 WeakPolarHBondContact OD1-CB 3.5Å; N67-S69 PolarHBondContact OD1-N 3.02Å; N67-S69 VanDerWaalsContact OD1-N 3.1Å; N67-S69 PolarHBondContact OD1-OG 2.92Å; N67-R70 PolarHBondContact O-N 2.86Å; N67-R70 VanDerWaalsContact O-N 3.1Å
68P96.6Very high97.2Very high77 Ų7786 Ų8650%0.542%0.418SS..G310 helixtrans-56.3-27.8-178.6-2835.8000114.6R70 G71P68-R70 VanDerWaalsContact C-N 3.29Å; P68-R70 PolarHBondContact O-N 2.78Å; P68-G71 PolarHBondContact O-N 3.3Å; P68-G71 VanDerWaalsContact O-N 3.08Å
69S96.4Very high97.2Very high72 Ų7284.2 Ų84.250%0.50340%0.402SS..G310 helixtrans-67-27.4-18072.10000113.6N67 G71 Y73N67-S69 VanDerWaalsContact CG-OG 3.32Å; N67-S69 PolarHBondContact ND2-OG 3.43Å; N67-S69 PolarHBondContact O-N 2.83Å; N67-S69 VanDerWaalsContact O-N 3.08Å; N67-S69 WeakPolarHBondContact OD1-CB 3.5Å; N67-S69 PolarHBondContact OD1-N 3.02Å; N67-S69 VanDerWaalsContact OD1-N 3.1Å; N67-S69 PolarHBondContact OD1-OG 2.92Å; S69-G71 VanDerWaalsContact C-N 3.35Å; S69-Y73 PolarHBondContact O-OH 3.2Å
70R96.3Very high97.2Very high191 Ų19186.8 Ų86.872%0.72141%0.411SS*.G310 helixtrans-88-6174.4-64.1-176.270.2177.21.9112.8M64 N67 P68M64-R70 HydrophobicContact CE-CB 4Å; M64-R70 HydrophobicContact SD-CB 3.83Å; N67-R70 PolarHBondContact O-N 2.86Å; N67-R70 VanDerWaalsContact O-N 3.1Å; P68-R70 VanDerWaalsContact C-N 3.29Å; P68-R70 PolarHBondContact O-N 2.78Å
71G95.9Very high97.3Very high11 Ų1185.5 Ų85.511%0.11340%0.404CS..SBendtrans-77.5-169.6-177.900000114P68 S69 Y73P68-G71 PolarHBondContact O-N 3.3Å; P68-G71 VanDerWaalsContact O-N 3.08Å; S69-G71 VanDerWaalsContact C-N 3.35Å; G71-Y73 PolarHBondContact O-N 3.18Å
72P96.9Very high97.4Very high64 Ų6476 Ų7642%0.41637%0.369SS..  trans-63.4123.9176.2-20.733.1000111.9F59 H74F59-P72 HydrophobicContact CE2-CB 4.41Å; P72-H74 PolarHBondContact O-N 3.48Å; P72-H74 PolarHBondContact O-NE2 2.97Å
73Y96.9Very high97.5Very high159 Ų15971.4 Ų71.462%0.62435%0.347SS*.  trans-73.6121.6170.2-63.1-68.6000111.3S69 G71 F75S69-Y73 PolarHBondContact O-OH 3.2Å; G71-Y73 PolarHBondContact O-N 3.18Å; Y73-F75 PolarHBondContact O-N 3.36Å
74H97.4Very high97.5Very high44 Ų4467.5 Ų67.520%0.20433%0.332CS..  trans-95.193.1176.5-52.6-66.5000109.9F59 L60 K62 P72 R76F59-H74 AromaticContact CD1-ND1 3.55Å; F59-H74 AromaticContact CD2-CE1 4Å; F59-H74 AromaticContact CD2-ND1 3.89Å; F59-H74 HydrophobicContact CE1-CB 4.2Å; F59-H74 AromaticContact CE1-ND1 3.14Å; F59-H74 WeakPolarHBondContact CE1-ND1 3.49Å; F59-H74 AromaticContact CE2-CE1 3.7Å; F59-H74 AromaticContact CE2-ND1 3.48Å; F59-H74 WeakPolarHBondContact CE2-ND1 3.38Å; F59-H74 AromaticContact CG-ND1 3.9Å; F59-H74 AromaticContact CZ-CE1 3.77Å; F59-H74 AromaticContact CZ-ND1 3.07Å; F59-H74 WeakPolarHBondContact CZ-ND1 3.5Å; F59-H74 PolarHBondContact O-CE1 3.47Å; L60-H74 HydrophobicContact CD2-CB 3.56Å; L60-H74 PolarHBondContact O-NE2 3.12Å; K62-H74 PolarHBondContact O-CE1 3.1Å; K62-H74 PolarHBondContact O-NE2 3.4Å; P72-H74 PolarHBondContact O-N 3.48Å; P72-H74 PolarHBondContact O-NE2 2.97Å; H74-R76 PolarHBondContact O-NH1 3.08Å
75F97.9Very high97.6Very high53 Ų5365.9 Ų65.923%0.23233%0.327CS..  trans-62.3155.1174.5-65-69.4000111.4Y56 Y73 R80 W83 R84Y56-F75 PolarHBondContact OH-O 3.37Å; Y73-F75 PolarHBondContact O-N 3.36Å; F75-R80 HydrophobicContact CB-CB 3.53Å; F75-R80 HydrophobicContact CD1-CB 3.9Å; F75-R80 HydrophobicContact CD1-CG 4.15Å; F75-R80 HydrophobicContact CD2-CB 4.42Å; F75-R80 HydrophobicContact CG-CB 3.69Å; F75-R80 HydrophobicContact CG-CG 4.44Å; F75-W83 HydrophobicContact CE2-CE3 4.43Å; F75-W83 HydrophobicContact CE2-CZ3 4.04Å; F75-W83 HydrophobicContact CZ-CZ3 4.45Å; F75-R84 HydrophobicContact CD2-CB 4.45Å
76R97.9Very high97.7Very high73 Ų7359.1 Ų59.128%0.27529%0.29SS..  trans-114.8-38.8179-62.9-64.2-177.1-99.21.5112.5L60 H74 A144 V147 W149L60-R76 VanDerWaalsContact CD2-CZ 3.47Å; H74-R76 PolarHBondContact O-NH1 3.08Å; R76-A144 WeakPolarHBondContact O-CB 3.36Å; R76-V147 WeakPolarHBondContact CD-O 3.42Å; R76-V147 PolarHBondContact NE-O 3.3Å; R76-W149 HydrophobicContact CB-CB 4.21Å
77A98.3Very high97.7Very high19 Ų1956.7 Ų56.716%0.15727%0.267CS..SBendtrans-62.3137.7-179.500000112.4S79 R80 I81A77-S79 VanDerWaalsContact C-N 3.29Å; A77-S79 PolarHBondContact O-N 2.96Å; A77-R80 HydrophobicContact CB-CB 4.28Å; A77-R80 HydrophobicContact CB-CG 4.11Å; A77-R80 PolarHBondContact O-N 3.27Å; A77-I81 WeakPolarHBondContact O-CG1 3.42Å; A77-I81 PolarHBondContact O-N 2.89Å
78P98.6Very high97.8Very high0 Ų056.4 Ų56.40%028%0.28CS..Hα-helixtrans-54-43.4177.6-2229.1000112.8C40 E41 R80 I81 F82 D108 L140 A144 W149C40-P78 HydrophobicContact CB-CB 4.17Å; E41-P78 HydrophobicContact CB-CB 4.37Å; E41-P78 HydrophobicContact CB-CG 4.03Å; P78-R80 VanDerWaalsContact C-N 3.32Å; P78-R80 PolarHBondContact O-N 2.95Å; P78-I81 PolarHBondContact O-N 3.49Å; P78-F82 PolarHBondContact O-N 2.74Å; P78-D108 VanDerWaalsContact CB-OD1 3.27Å; P78-D108 WeakPolarHBondContact CB-OD1 3.42Å; P78-D108 WeakPolarHBondContact CD-OD1 3.27Å; P78-L140 HydrophobicContact CB-CD2 3.82Å; P78-L140 HydrophobicContact CB-CG 3.87Å; P78-A144 HydrophobicContact CB-CB 4.48Å; P78-A144 HydrophobicContact CG-CB 3.61Å; P78-W149 HydrophobicContact CG-CD2 4.15Å; P78-W149 HydrophobicContact CG-CE3 3.86Å; P78-W149 HydrophobicContact CG-CH2 4Å; P78-W149 HydrophobicContact CG-CZ2 4.27Å; P78-W149 HydrophobicContact CG-CZ3 3.77Å
79S98.4Very high97.9Very high12 Ų1256.8 Ų56.88%0.08428%0.276CS..Hα-helixtrans-54.5-46.1174.657.30000112.3C40 A77 F82 W83 V106 D108C40-S79 VanDerWaalsContact CB-CA 3.49Å; A77-S79 VanDerWaalsContact C-N 3.29Å; A77-S79 PolarHBondContact O-N 2.96Å; S79-F82 PolarHBondContact O-N 3.08Å; S79-W83 WeakPolarHBondContact O-CB 3.5Å; S79-W83 PolarHBondContact O-N 3.07Å; S79-V106 WeakPolarHBondContact O-CG2 3.31Å; S79-D108 VanDerWaalsContact CB-OD1 3.31Å; S79-D108 WeakPolarHBondContact CB-OD1 3.49Å; S79-D108 VanDerWaalsContact CB-OD2 3.31Å; S79-D108 WeakPolarHBondContact CB-OD2 3.48Å; S79-D108 PolarHBondContact N-OD1 2.94Å; S79-D108 PolarHBondContact OG-OD1 3.33Å; S79-D108 PolarHBondContact OG-OD2 3.28Å
80R98.4Very high98Very high83 Ų8353.8 Ų53.831%0.31325%0.254SS..Hα-helixtrans-73.8-30.4179.3-63.6-61.7-63175.4-3.5112.9F75 A77 P78 R84F75-R80 HydrophobicContact CB-CB 3.53Å; F75-R80 HydrophobicContact CD1-CB 3.9Å; F75-R80 HydrophobicContact CD1-CG 4.15Å; F75-R80 HydrophobicContact CD2-CB 4.42Å; F75-R80 HydrophobicContact CG-CB 3.69Å; F75-R80 HydrophobicContact CG-CG 4.44Å; A77-R80 HydrophobicContact CB-CB 4.28Å; A77-R80 HydrophobicContact CB-CG 4.11Å; A77-R80 PolarHBondContact O-N 3.27Å; P78-R80 VanDerWaalsContact C-N 3.32Å; P78-R80 PolarHBondContact O-N 2.95Å; R80-R84 VanDerWaalsContact O-CB 3.3Å; R80-R84 WeakPolarHBondContact O-CB 3.48Å; R80-R84 PolarHBondContact O-N 3.18Å
81I98.5Very high98Very high12 Ų1247.8 Ų47.86%0.06224%0.24CC..Hα-helixtrans-64.4-45.9170.5-65168.9000110Y56 A77 P78 R84 T85 L140 A144Y56-I81 HydrophobicContact CE2-CD1 3.83Å; Y56-I81 HydrophobicContact CE2-CG1 4.02Å; Y56-I81 HydrophobicContact CE2-CG2 4.33Å; Y56-I81 WeakPolarHBondContact OH-CG1 3.48Å; A77-I81 WeakPolarHBondContact O-CG1 3.42Å; A77-I81 PolarHBondContact O-N 2.89Å; P78-I81 PolarHBondContact O-N 3.49Å; I81-R84 PolarHBondContact O-N 3.39Å; I81-T85 PolarHBondContact O-N 3.28Å; I81-T85 PolarHBondContact O-OG1 3Å; I81-L140 HydrophobicContact CB-CD1 4.3Å; I81-L140 HydrophobicContact CD1-CD1 4.08Å; I81-L140 HydrophobicContact CG2-CD1 3.86Å; I81-A144 HydrophobicContact CD1-CB 4.24Å
82F98.7Very high98.1Very high0 Ų049.3 Ų49.30%024%0.244CC..Hα-helixtrans-62.4-47.1175.1179.7-106.8000111.7L18 L21 A22 V25 V37 I43 P78 S79 R84 T85 V86 V106L18-F82 HydrophobicContact CD1-CB 4.16Å; L18-F82 HydrophobicContact CD1-CD2 3.76Å; L18-F82 HydrophobicContact CD1-CG 4.46Å; L21-F82 HydrophobicContact CB-CE2 4.17Å; L21-F82 HydrophobicContact CD2-CE2 3.94Å; L21-F82 HydrophobicContact CD2-CZ 3.98Å; L21-F82 HydrophobicContact CG-CE2 3.94Å; L21-F82 HydrophobicContact CG-CZ 3.91Å; A22-F82 HydrophobicContact CB-CD2 4.42Å; A22-F82 HydrophobicContact CB-CE2 3.82Å; A22-F82 HydrophobicContact CB-CZ 4.44Å; V25-F82 HydrophobicContact CB-CZ 4.47Å; V25-F82 HydrophobicContact CG2-CZ 4.24Å; V37-F82 HydrophobicContact CB-CD1 4.41Å; V37-F82 HydrophobicContact CB-CE1 3.89Å; V37-F82 HydrophobicContact CG1-CD1 4.41Å; V37-F82 HydrophobicContact CG1-CE1 4.01Å; V37-F82 HydrophobicContact CG1-CZ 4.44Å; V37-F82 HydrophobicContact CG2-CE1 3.62Å; V37-F82 HydrophobicContact CG2-CZ 4.1Å; I43-F82 HydrophobicContact CD1-CB 4.15Å; I43-F82 HydrophobicContact CD1-CD2 3.77Å; I43-F82 HydrophobicContact CD1-CE2 4.32Å; I43-F82 HydrophobicContact CD1-CG 3.91Å; P78-F82 PolarHBondContact O-N 2.74Å; S79-F82 PolarHBondContact O-N 3.08Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.09Å; F82-T85 WeakPolarHBondContact O-CA 3.11Å; F82-T85 WeakPolarHBondContact O-CB 3.48Å; F82-T85 PolarHBondContact O-N 3.18Å; F82-V86 HydrophobicContact CD1-CG2 4.36Å; F82-V86 HydrophobicContact CE1-CG2 3.87Å; F82-V86 HydrophobicContact CE2-CG2 4.17Å; F82-V86 HydrophobicContact CZ-CG2 3.78Å; F82-V86 PolarHBondContact O-N 3.44Å; F82-V106 HydrophobicContact CD1-CG1 3.67Å; F82-V106 HydrophobicContact CE1-CG1 4.07Å
83W98.7Very high98.1Very high43 Ų4354.3 Ų54.316%0.16326%0.259CS..Hα-helixtrans-57.6-43.2174.8178.991000112.8F75 S79 T85 V86 R87 L101 V106F75-W83 HydrophobicContact CE2-CE3 4.43Å; F75-W83 HydrophobicContact CE2-CZ3 4.04Å; F75-W83 HydrophobicContact CZ-CZ3 4.45Å; S79-W83 WeakPolarHBondContact O-CB 3.5Å; S79-W83 PolarHBondContact O-N 3.07Å; W83-T85 VanDerWaalsContact C-N 3.27Å; W83-T85 PolarHBondContact O-N 3.47Å; W83-V86 PolarHBondContact O-N 2.99Å; W83-R87 VanDerWaalsContact O-CB 3.31Å; W83-R87 WeakPolarHBondContact O-CB 3.46Å; W83-R87 PolarHBondContact O-N 2.98Å; W83-L101 HydrophobicContact CZ2-CD1 4.35Å; W83-L101 HydrophobicContact CZ2-CD2 4.42Å; W83-V106 HydrophobicContact CB-CG1 4.49Å; W83-V106 HydrophobicContact CB-CG2 3.9Å; W83-V106 HydrophobicContact CG-CG2 4.49Å
84R98.5Very high98.1Very high97 Ų9750 Ų5037%0.36625%0.249SC..Hα-helixtrans-62.9-36.5176.3-175.5178.2178.7-79.8-4.5111.5F59 F75 R80 I81 F82 G88F59-R84 VanDerWaalsContact CZ-NH2 3.26Å; F75-R84 HydrophobicContact CD2-CB 4.45Å; R80-R84 VanDerWaalsContact O-CB 3.3Å; R80-R84 WeakPolarHBondContact O-CB 3.48Å; R80-R84 PolarHBondContact O-N 3.18Å; I81-R84 PolarHBondContact O-N 3.39Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.09Å; R84-G88 PolarHBondContact O-N 2.82Å
85T98.4Very high98.2Very high35 Ų3556 Ų5622%0.21528%0.275CS..Hα-helixtrans-65.9-47.5175.8-53.50000110.9A22 I81 F82 W83 G88 M89A22-T85 HydrophobicContact CB-CG2 3.79Å; I81-T85 PolarHBondContact O-N 3.28Å; I81-T85 PolarHBondContact O-OG1 3Å; F82-T85 WeakPolarHBondContact O-CA 3.11Å; F82-T85 WeakPolarHBondContact O-CB 3.48Å; F82-T85 PolarHBondContact O-N 3.18Å; W83-T85 VanDerWaalsContact C-N 3.27Å; W83-T85 PolarHBondContact O-N 3.47Å; T85-G88 PolarHBondContact O-N 2.94Å; T85-M89 HydrophobicContact CG2-CE 4.05Å; T85-M89 PolarHBondContact O-N 3.4Å
86V98.6Very high98.1Very high0 Ų061.6 Ų61.60%030%0.295CS..Hα-helixtrans-62.9-43.2175.81790000111.2A22 V25 A26 F82 W83 G88 M89 L90 L104A22-V86 HydrophobicContact CB-CG2 3.73Å; V25-V86 HydrophobicContact CG1-CG1 4.47Å; V25-V86 HydrophobicContact CG1-CG2 4.36Å; A26-V86 HydrophobicContact CB-CG1 4.18Å; F82-V86 HydrophobicContact CD1-CG2 4.36Å; F82-V86 HydrophobicContact CE1-CG2 3.87Å; F82-V86 HydrophobicContact CE2-CG2 4.17Å; F82-V86 HydrophobicContact CZ-CG2 3.78Å; F82-V86 PolarHBondContact O-N 3.44Å; W83-V86 PolarHBondContact O-N 2.99Å; V86-G88 PolarHBondContact O-N 3.13Å; V86-M89 CarbonylContact O-C 3.55Å; V86-M89 WeakPolarHBondContact O-CA 3.27Å; V86-M89 WeakPolarHBondContact O-CB 3.31Å; V86-M89 PolarHBondContact O-N 3Å; V86-L90 HydrophobicContact CG1-CD1 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.35Å; V86-L90 WeakPolarHBondContact O-CG 3.33Å; V86-L90 PolarHBondContact O-N 2.92Å; V86-L104 HydrophobicContact CB-CD2 3.89Å; V86-L104 HydrophobicContact CG1-CD2 3.72Å; V86-L104 HydrophobicContact CG2-CD2 4.13Å
87R98.4Very high98.1Very high78 Ų7858.1 Ų58.129%0.29428%0.281SS..Hα-helixtrans-56.4-37.9174.1171.6176.1167.8-126.5-6.9112.5W83 M89 L90 H92 L101W83-R87 VanDerWaalsContact O-CB 3.31Å; W83-R87 WeakPolarHBondContact O-CB 3.46Å; W83-R87 PolarHBondContact O-N 2.98Å; R87-M89 PolarHBondContact O-N 2.99Å; R87-L90 PolarHBondContact O-N 3.02Å; R87-L90 VanDerWaalsContact O-O 3.11Å; R87-H92 HydrophobicContact CG-CB 3.93Å; R87-H92 PolarHBondContact NE-CD2 3.02Å; R87-H92 PolarHBondContact NE-NE2 2.76Å; R87-H92 PolarHBondContact NH2-CD2 2.93Å; R87-H92 PolarHBondContact NH2-NE2 3.19Å; R87-H92 PolarHBondContact O-ND1 2.91Å; R87-L101 HydrophobicContact CB-CD1 4.22Å; R87-L101 HydrophobicContact CB-CD2 3.98Å; R87-L101 HydrophobicContact CG-CD1 4Å
88G98.3Very high98.1Very high62 Ų6260.9 Ų60.964%0.63929%0.291SS*.Hα-helixtrans-67.2-22.3175.700000113.8R84 T85 V86R84-G88 PolarHBondContact O-N 2.82Å; T85-G88 PolarHBondContact O-N 2.94Å; V86-G88 PolarHBondContact O-N 3.13Å
89M98.5Very high98Very high85 Ų8562.3 Ų62.342%0.41930%0.303SS..THydrogen-bonded Turntrans-93.90.8176.6-62.4174.2176.700113A22 A23 A26 T85 V86 R87A22-M89 VanDerWaalsContact C-SD 3.55Å; A22-M89 HydrophobicContact CB-CE 4.04Å; A22-M89 HydrophobicContact CB-SD 3.71Å; A23-M89 VanDerWaalsContact CA-SD 3.53Å; A23-M89 HydrophobicContact CB-CE 4.47Å; A23-M89 HydrophobicContact CB-SD 3.99Å; A23-M89 PolarHBondContact N-SD 3.49Å; A23-M89 VanDerWaalsContact N-SD 3.37Å; A26-M89 HydrophobicContact CB-CB 3.9Å; T85-M89 HydrophobicContact CG2-CE 4.05Å; T85-M89 PolarHBondContact O-N 3.4Å; V86-M89 CarbonylContact O-C 3.55Å; V86-M89 WeakPolarHBondContact O-CA 3.27Å; V86-M89 WeakPolarHBondContact O-CB 3.31Å; V86-M89 PolarHBondContact O-N 3Å; R87-M89 PolarHBondContact O-N 2.99Å
90L97.7Very high97.9Very high8 Ų861.8 Ų61.84%0.04230%0.299CS..THydrogen-bonded Turntrans-114.7148.6180-68.3175.6000110.8A26 V29 L30 V86 R87 H92 A100 L101A26-L90 HydrophobicContact CB-CD2 4Å; A26-L90 HydrophobicContact CB-CG 4.3Å; V29-L90 HydrophobicContact CG2-CD1 4Å; V29-L90 HydrophobicContact CG2-CD2 4.09Å; L30-L90 HydrophobicContact CD1-CD2 3.67Å; L30-L90 HydrophobicContact CD2-CD2 3.94Å; L30-L90 HydrophobicContact CG-CD2 3.5Å; L30-L90 VanDerWaalsContact CG-CD2 3.5Å; V86-L90 HydrophobicContact CG1-CD1 3.92Å; V86-L90 HydrophobicContact CG1-CG 4.35Å; V86-L90 WeakPolarHBondContact O-CG 3.33Å; V86-L90 PolarHBondContact O-N 2.92Å; R87-L90 PolarHBondContact O-N 3.02Å; R87-L90 VanDerWaalsContact O-O 3.11Å; L90-H92 PolarHBondContact O-N 2.89Å; L90-H92 PolarHBondContact O-ND1 2.83Å; L90-A100 HydrophobicContact CD1-CB 4.38Å; L90-L101 HydrophobicContact CD1-CD2 3.69Å; L90-L101 HydrophobicContact CD1-CG 3.79Å
91P97.4Very high97.9Very high65 Ų6558.8 Ų58.842%0.42229%0.289SS..THydrogen-bonded Turntrans-74.158.917233.2-36.5000111.1K93 T94P91-K93 PolarHBondContact O-N 2.79Å; P91-T94 HydrophobicContact CB-CG2 4.42Å; P91-T94 PolarHBondContact O-N 2.89Å; P91-T94 PolarHBondContact O-OG1 2.78Å
92H96.9Very high97.8Very high43 Ų4365.4 Ų65.420%0.19932%0.32CS..THydrogen-bonded Turntrans-66.4-6-167.270.1-90.1000115.4R87 L90 L101R87-H92 HydrophobicContact CG-CB 3.93Å; R87-H92 PolarHBondContact NE-CD2 3.02Å; R87-H92 PolarHBondContact NE-NE2 2.76Å; R87-H92 PolarHBondContact NH2-CD2 2.93Å; R87-H92 PolarHBondContact NH2-NE2 3.19Å; R87-H92 PolarHBondContact O-ND1 2.91Å; L90-H92 PolarHBondContact O-N 2.89Å; L90-H92 PolarHBondContact O-ND1 2.83Å; H92-L101 HydrophobicContact CB-CD1 3.72Å
93K97.6Very high97.7Very high169 Ų16969.2 Ų69.274%0.73534%0.335SS*.THydrogen-bonded Turntrans-82.3-21.4172.5-62.5-63.8-171.9167.50112.3P91P91-K93 PolarHBondContact O-N 2.79Å
94T98.1Very high97.7Very high68 Ų6867.7 Ų67.742%0.41733%0.329SS..SBendtrans-87.3155.2176.469.10000111.3P91 R96 G97 Q98P91-T94 HydrophobicContact CB-CG2 4.42Å; P91-T94 PolarHBondContact O-N 2.89Å; P91-T94 PolarHBondContact O-OG1 2.78Å; T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.15Å; T94-G97 PolarHBondContact O-N 2.91Å; T94-G97 VanDerWaalsContact O-N 3.13Å; T94-G97 PolarHBondContact OG1-N 3.07Å; T94-G97 VanDerWaalsContact OG1-N 3.09Å; T94-Q98 WeakPolarHBondContact O-CG 3.48Å; T94-Q98 PolarHBondContact O-N 2.92Å
95K98Very high97.6Very high170 Ų17068.4 Ų68.474%0.73934%0.335SS*.Hα-helixtrans-58.4-39.7174.2-63.6-63.4-174.8175.80112.3G97 Q98 A99K95-G97 VanDerWaalsContact C-N 3.35Å; K95-G97 PolarHBondContact O-N 3.5Å; K95-Q98 PolarHBondContact O-N 3.46Å; K95-A99 PolarHBondContact O-N 2.98Å
96R96.9Very high97.6Very high171 Ų17167.7 Ų67.765%0.64533%0.331SS*.Hα-helixtrans-59.1-44.1174.4-178.6-179.7175.3-179.82.1112.2T94 A100T94-R96 VanDerWaalsContact C-N 3.28Å; T94-R96 PolarHBondContact O-N 3.15Å; R96-A100 WeakPolarHBondContact O-CB 3.43Å; R96-A100 PolarHBondContact O-N 3.33Å
97G97.4Very high97.6Very high0 Ų070.7 Ų70.70%034%0.344CS..Hα-helixtrans-68.5-35.917800000113.1T94 K95 A100 L101T94-G97 PolarHBondContact O-N 2.91Å; T94-G97 VanDerWaalsContact O-N 3.13Å; T94-G97 PolarHBondContact OG1-N 3.07Å; T94-G97 VanDerWaalsContact OG1-N 3.09Å; K95-G97 VanDerWaalsContact C-N 3.35Å; K95-G97 PolarHBondContact O-N 3.5Å; G97-A100 PolarHBondContact O-N 3.38Å; G97-L101 PolarHBondContact O-N 3.3Å
98Q97.5Very high97.6Very high78 Ų7868.7 Ų68.736%0.36434%0.339SS..Hα-helixtrans-62.9-49.6173.1-70172.9-5.100110.9T94 K95 A100 L101 E102T94-Q98 WeakPolarHBondContact O-CG 3.48Å; T94-Q98 PolarHBondContact O-N 2.92Å; K95-Q98 PolarHBondContact O-N 3.46Å; Q98-A100 VanDerWaalsContact C-N 3.26Å; Q98-A100 PolarHBondContact O-N 3.15Å; Q98-L101 WeakPolarHBondContact O-CB 3.48Å; Q98-L101 PolarHBondContact O-N 2.98Å; Q98-E102 PolarHBondContact O-N 3.43Å
99A97.1Very high97.6Very high30 Ų3065.9 Ų65.925%0.24831%0.31CS..Hα-helixtrans-59.4-35.917500000112.6K95 E102 R103K95-A99 PolarHBondContact O-N 2.98Å; A99-E102 PolarHBondContact O-N 2.9Å; A99-R103 WeakPolarHBondContact O-CG 3.41Å; A99-R103 PolarHBondContact O-N 3.42Å
100A97.2Very high97.6Very high0 Ų062.3 Ų62.30%029%0.293CS..Hα-helixtrans-66.9-36.8174.300000112.5V29 L30 L90 R96 G97 Q98 R103V29-A100 HydrophobicContact CB-CB 4.44Å; V29-A100 WeakPolarHBondContact CB-O 3.48Å; V29-A100 HydrophobicContact CG2-CB 4.16Å; L30-A100 HydrophobicContact CD2-CB 4.04Å; L90-A100 HydrophobicContact CD1-CB 4.38Å; R96-A100 WeakPolarHBondContact O-CB 3.43Å; R96-A100 PolarHBondContact O-N 3.33Å; G97-A100 PolarHBondContact O-N 3.38Å; Q98-A100 VanDerWaalsContact C-N 3.26Å; Q98-A100 PolarHBondContact O-N 3.15Å; A100-R103 PolarHBondContact O-N 3.4Å
101L97.2Very high97.5Very high21 Ų2163.8 Ų63.811%0.1130%0.303CS..Hα-helixtrans-68.7-34.7174.6-81171.5000112.6W83 R87 L90 H92 G97 Q98 R103 L104W83-L101 HydrophobicContact CZ2-CD1 4.35Å; W83-L101 HydrophobicContact CZ2-CD2 4.42Å; R87-L101 HydrophobicContact CB-CD1 4.22Å; R87-L101 HydrophobicContact CB-CD2 3.98Å; R87-L101 HydrophobicContact CG-CD1 4Å; L90-L101 HydrophobicContact CD1-CD2 3.69Å; L90-L101 HydrophobicContact CD1-CG 3.79Å; H92-L101 HydrophobicContact CB-CD1 3.72Å; G97-L101 PolarHBondContact O-N 3.3Å; Q98-L101 WeakPolarHBondContact O-CB 3.48Å; Q98-L101 PolarHBondContact O-N 2.98Å; L101-R103 VanDerWaalsContact C-N 3.25Å; L101-R103 PolarHBondContact O-N 3.22Å; L101-L104 WeakPolarHBondContact O-CB 3.4Å; L101-L104 PolarHBondContact O-N 2.77Å; L101-L104 VanDerWaalsContact O-N 3.1Å
102E96.8Very high97.3Very high151 Ų15165.6 Ų65.671%0.70632%0.315SS*.Hα-helixtrans-65.1-29.7175.6-71.5168.2-168.800112.6Q98 A99 L104Q98-E102 PolarHBondContact O-N 3.43Å; A99-E102 PolarHBondContact O-N 2.9Å; E102-L104 PolarHBondContact O-N 3.27Å
103R96.3Very high97.2Very high80 Ų8067.9 Ų67.930%0.30233%0.333SS..THydrogen-bonded Turntrans-71-16.1173.6-67.2172.4-163134.75.4113.4V29 K34 V35 A99 A100 L101V29-R103 HydrophobicContact CB-CB 4.49Å; V29-R103 HydrophobicContact CG1-CB 4.49Å; V29-R103 PolarHBondContact O-NH1 3.27Å; K34-R103 HydrophobicContact CG-CG 4.42Å; V35-R103 PolarHBondContact N-O 3.42Å; A99-R103 WeakPolarHBondContact O-CG 3.41Å; A99-R103 PolarHBondContact O-N 3.42Å; A100-R103 PolarHBondContact O-N 3.4Å; L101-R103 VanDerWaalsContact C-N 3.25Å; L101-R103 PolarHBondContact O-N 3.22Å
104L97.9Very high97.1Very high10 Ų1061 Ų615%0.05230%0.303CS..EExtended strand (participates in β ladder)trans-94.6122.8180178.465.6000110.8V25 V29 V35 V37 V86 L101 E102 V106V25-L104 HydrophobicContact CG1-CD1 3.62Å; V29-L104 HydrophobicContact CG1-CB 4.3Å; V35-L104 HydrophobicContact CB-CD1 4.38Å; V35-L104 WeakPolarHBondContact O-CA 3.43Å; V37-L104 HydrophobicContact CG2-CD1 4.44Å; V86-L104 HydrophobicContact CB-CD2 3.89Å; V86-L104 HydrophobicContact CG1-CD2 3.72Å; V86-L104 HydrophobicContact CG2-CD2 4.13Å; L101-L104 WeakPolarHBondContact O-CB 3.4Å; L101-L104 PolarHBondContact O-N 2.77Å; L101-L104 VanDerWaalsContact O-N 3.1Å; E102-L104 PolarHBondContact O-N 3.27Å; L104-V106 HydrophobicContact CD1-CG1 4.1Å; L104-V106 HydrophobicContact CD2-CG1 4.18Å; L104-V106 HydrophobicContact CG-CG1 4Å
105K98Very high96.8Very high112 Ų11259.7 Ų59.749%0.48729%0.293SS..EExtended strand (participates in β ladder)trans-114.6141.1164.7-50.8-176.4176.3-1760110.3V35 V36 V37 F107V35-K105 PolarHBondContact O-N 3.25Å; V36-K105 CarbonylContact C-O 3.56Å; V36-K105 VanDerWaalsContact CA-O 3.28Å; V36-K105 WeakPolarHBondContact CA-O 3.45Å; V36-K105 HydrophobicContact CG1-CB 4.32Å; V36-K105 HydrophobicContact CG2-CB 4.06Å; V36-K105 HydrophobicContact CG2-CG 4.46Å; V37-K105 PolarHBondContact N-O 3.41Å; K105-F107 HydrophobicContact CB-CE2 3.78Å; K105-F107 HydrophobicContact CB-CZ 4.1Å
106V98.4Very high96.5Very high21 Ų2158.6 Ų58.613%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-132.1138.9-178.2-65.40000109.3V37 S79 F82 W83 L104V37-V106 HydrophobicContact CB-CG1 4.47Å; V37-V106 CarbonylContact O-C 3.52Å; V37-V106 WeakPolarHBondContact O-CA 3.34Å; S79-V106 WeakPolarHBondContact O-CG2 3.31Å; F82-V106 HydrophobicContact CD1-CG1 3.67Å; F82-V106 HydrophobicContact CE1-CG1 4.07Å; W83-V106 HydrophobicContact CB-CG1 4.49Å; W83-V106 HydrophobicContact CB-CG2 3.9Å; W83-V106 HydrophobicContact CG-CG2 4.49Å; L104-V106 HydrophobicContact CD1-CG1 4.1Å; L104-V106 HydrophobicContact CD2-CG1 4.18Å; L104-V106 HydrophobicContact CG-CG1 4Å
107F98.6Very high96.3Very high62 Ų6254.7 Ų54.727%0.27227%0.274SS..  trans-138.8144-179.2-59.3-75.5000111.3V36 V37 V38 R39 C40 K105 P111 Y114V36-F107 HydrophobicContact CG1-CD2 3.82Å; V36-F107 HydrophobicContact CG1-CE2 3.73Å; V37-F107 PolarHBondContact O-N 3.35Å; V38-F107 HydrophobicContact CG1-CB 4.44Å; V38-F107 HydrophobicContact CG1-CD2 4.19Å; R39-F107 PolarHBondContact N-O 3.26Å; C40-F107 PolarHBondContact N-O 3.07Å; C40-F107 VanDerWaalsContact N-O 3.12Å; C40-F107 PolarHBondContact SG-O 3.45Å; K105-F107 HydrophobicContact CB-CE2 3.78Å; K105-F107 HydrophobicContact CB-CZ 4.1Å; F107-P111 HydrophobicContact CB-CG 3.96Å; F107-P111 HydrophobicContact CD1-CG 3.73Å; F107-P111 HydrophobicContact CD2-CG 4.1Å; F107-P111 HydrophobicContact CE1-CG 4.23Å; F107-P111 HydrophobicContact CG-CG 3.65Å; F107-Y114 HydrophobicContact CD2-CD2 4.42Å; F107-Y114 HydrophobicContact CD2-CE2 4.19Å; F107-Y114 HydrophobicContact CE2-CD2 4.17Å; F107-Y114 AromaticContact CE2-CE2 3.5Å; F107-Y114 HydrophobicContact CE2-CE2 3.5Å; F107-Y114 HydrophobicContact CZ-CE2 4.05Å
108D98.1Very high96.1Very high37 Ų3763.3 Ų63.320%0.19831%0.311CS..SBendtrans-86.4131.5163.1-59-52.1000107.6E41 P78 S79 W149 T155E41-D108 WeakPolarHBondContact OE2-CA 3.31Å; P78-D108 VanDerWaalsContact CB-OD1 3.27Å; P78-D108 WeakPolarHBondContact CB-OD1 3.42Å; P78-D108 WeakPolarHBondContact CD-OD1 3.27Å; S79-D108 VanDerWaalsContact CB-OD1 3.31Å; S79-D108 WeakPolarHBondContact CB-OD1 3.49Å; S79-D108 VanDerWaalsContact CB-OD2 3.31Å; S79-D108 WeakPolarHBondContact CB-OD2 3.48Å; S79-D108 PolarHBondContact N-OD1 2.94Å; S79-D108 PolarHBondContact OG-OD1 3.33Å; S79-D108 PolarHBondContact OG-OD2 3.28Å; D108-W149 HydrophobicContact CB-CZ2 4.12Å; D108-T155 HydrophobicContact CB-CG2 4.42Å
109G97.8Very high96Very high3 Ų363.1 Ų63.13%0.03131%0.307CS..SBendtrans65.3-163.9-164.700000113.1R39 E41 E159R39-G109 PolarHBondContact N-O 2.98Å; E41-G109 PolarHBondContact OE2-N 3.37Å; G109-E159 WeakPolarHBondContact CA-OE1 3.15Å
110I97.8Very high96Very high10 Ų1066 Ų665%0.05132%0.317CS..  trans-123.198.4177.1-47.3175000110.1V38 R39 D115 R119 E159V38-I110 HydrophobicContact CB-CB 4.49Å; V38-I110 HydrophobicContact CB-CG1 4.03Å; V38-I110 HydrophobicContact CB-CG2 4.36Å; V38-I110 HydrophobicContact CG1-CG2 4.29Å; V38-I110 HydrophobicContact CG2-CD1 4.33Å; V38-I110 HydrophobicContact CG2-CG1 3.94Å; V38-I110 HydrophobicContact CG2-CG2 4.35Å; R39-I110 VanDerWaalsContact CD-CG1 3.5Å; R39-I110 HydrophobicContact CG-CD1 3.92Å; R39-I110 HydrophobicContact CG-CG1 3.42Å; R39-I110 VanDerWaalsContact CG-CG1 3.42Å; I110-D115 HydrophobicContact CG2-CB 4.19Å; I110-R119 VanDerWaalsContact CD1-CZ 3.47Å; I110-E159 PolarHBondContact N-OE1 3.37Å
111P96.3Very high96Very high38 Ų3869.4 Ų69.425%0.24734%0.337CS..  trans-75155.5177.328.4-31.4000111.9F107 Y114 D115F107-P111 HydrophobicContact CB-CG 3.96Å; F107-P111 HydrophobicContact CD1-CG 3.73Å; F107-P111 HydrophobicContact CD2-CG 4.1Å; F107-P111 HydrophobicContact CE1-CG 4.23Å; F107-P111 HydrophobicContact CG-CG 3.65Å; P111-Y114 HydrophobicContact CG-CD2 4.2Å; P111-Y114 WeakPolarHBondContact O-CB 3.43Å; P111-Y114 PolarHBondContact O-N 3.39Å; P111-D115 PolarHBondContact O-N 2.99Å
112P93.9Very high96Very high104 Ų10469.4 Ų69.468%0.67534%0.338SS*.THydrogen-bonded Turntrans-57.7142.3164.3-21.633.7000110.8
113P93.4Very high96.1Very high90 Ų9066.3 Ų66.358%0.58433%0.331SS*.THydrogen-bonded Turncis-91.511.92.837-36.5000114.5D115P113-D115 VanDerWaalsContact C-N 3.33Å
114Y95.5Very high96.1Very high26 Ų2664.3 Ų64.310%0.10233%0.331CS..G310 helixtrans-77-20.3-174.5-56.4-70.9000113.4L10 V36 V38 F107 P111 K116 R117L10-Y114 HydrophobicContact CD1-CD1 3.71Å; L10-Y114 HydrophobicContact CD1-CE1 4.47Å; L10-Y114 HydrophobicContact CD1-CG 4.05Å; L10-Y114 HydrophobicContact CD2-CD1 4.15Å; L10-Y114 HydrophobicContact CG-CD1 4.49Å; V36-Y114 HydrophobicContact CB-CE1 4.19Å; V36-Y114 HydrophobicContact CG1-CD1 4.21Å; V36-Y114 HydrophobicContact CG1-CD2 4.46Å; V36-Y114 HydrophobicContact CG1-CE1 3.88Å; V36-Y114 HydrophobicContact CG1-CE2 4.16Å; V36-Y114 HydrophobicContact CG1-CG 4.48Å; V36-Y114 HydrophobicContact CG2-CE1 3.9Å; V38-Y114 HydrophobicContact CG1-CG 4.49Å; F107-Y114 HydrophobicContact CD2-CD2 4.42Å; F107-Y114 HydrophobicContact CD2-CE2 4.19Å; F107-Y114 HydrophobicContact CE2-CD2 4.17Å; F107-Y114 AromaticContact CE2-CE2 3.5Å; F107-Y114 HydrophobicContact CE2-CE2 3.5Å; F107-Y114 HydrophobicContact CZ-CE2 4.05Å; P111-Y114 HydrophobicContact CG-CD2 4.2Å; P111-Y114 WeakPolarHBondContact O-CB 3.43Å; P111-Y114 PolarHBondContact O-N 3.39Å; Y114-K116 VanDerWaalsContact C-N 3.27Å; Y114-K116 PolarHBondContact O-N 2.9Å; Y114-R117 PolarHBondContact O-N 3.06Å
115D92.7Very high96.1Very high40 Ų4063.8 Ų63.821%0.21433%0.329CS..G310 helixtrans-57.8-37.217767.1-37.7000112.8I110 P111 P113 R162I110-D115 HydrophobicContact CG2-CB 4.19Å; P111-D115 PolarHBondContact O-N 2.99Å; P113-D115 VanDerWaalsContact C-N 3.33Å; D115-R162 HydrophobicContact CB-CG 4.12Å
116K92.1Very high96.1Very high147 Ų14760.1 Ų60.164%0.63931%0.314SS*.G310 helixtrans-86.2-10.5179.8-65.9176.9-173.5177.20113.8Y114 R169Y114-K116 VanDerWaalsContact C-N 3.27Å; Y114-K116 PolarHBondContact O-N 2.9Å; K116-R169 VanDerWaalsContact CA-NH1 3.25Å; K116-R169 PolarHBondContact O-NH1 3.31Å; K116-R169 PolarHBondContact O-NH2 3.42Å
117R93.1Very high96Very high89 Ų8961.5 Ų61.534%0.33632%0.318SS..SBendtrans-90.9147.5-176-66.917761.6-171.7-3.9111.6V8 L10 Y114 R119V8-R117 PolarHBondContact O-NH2 3.2Å; V8-R117 VanDerWaalsContact O-NH2 3.07Å; L10-R117 HydrophobicContact CD2-CB 3.62Å; Y114-R117 PolarHBondContact O-N 3.06Å; R117-R119 PolarHBondContact O-N 3.25Å
118K93.3Very high96Very high181 Ų18165.4 Ų65.479%0.78734%0.341SS*.PPolyproline II helixtrans-67.1122.5171.7-173.9172.3-179.5178.10108.4
119R95.3Very high95.9Very high73 Ų7367.8 Ų67.828%0.27536%0.356SS..PPolyproline II helixtrans-89.9138.7174.2-70.7151.5-81.1156.5-7.1108.9L10 D12 V38 I110 R117L10-R119 HydrophobicContact CD2-CG 3.61Å; L10-R119 HydrophobicContact CG-CB 4.47Å; L10-R119 HydrophobicContact CG-CG 3.72Å; D12-R119 HydrophobicContact CB-CB 4.04Å; V38-R119 HydrophobicContact CG2-CG 4.07Å; I110-R119 VanDerWaalsContact CD1-CZ 3.47Å; R117-R119 PolarHBondContact O-N 3.25Å
120M96.8Very high95.9Very high92 Ų9273.1 Ų73.145%0.45338%0.375SS..BIsolated β-bridgetrans-94.3159.3176.2-52.4-57.1-71.800109.8L9 L10 L11 D12L9-M120 HydrophobicContact CD1-CB 4.43Å; L9-M120 HydrophobicContact CD1-CG 4.21Å; L10-M120 PolarHBondContact O-N 3.43Å; L11-M120 WeakPolarHBondContact CA-O 3.34Å; L11-M120 HydrophobicContact CD2-CB 3.98Å; D12-M120 PolarHBondContact N-O 3.12Å
121V97.1Very high95.8Very high71 Ų7174.1 Ų74.143%0.4338%0.381SS..  trans-121.4149.8178.5169.70000107.5P123 L126V121-P123 WeakPolarHBondContact O-CD 3.39Å; V121-L126 HydrophobicContact CG1-CD1 3.64Å; V121-L126 HydrophobicContact CG1-CD2 3.72Å; V121-L126 HydrophobicContact CG1-CG 3.73Å
122V97.5Very high95.9Very high21 Ų2179.6 Ų79.613%0.12740%0.401CS..  trans-110.195.5176.7-176.60000108.2L11 H16 L21 I24 A124 A125 L126L11-V122 HydrophobicContact CD1-CG2 4.06Å; L11-V122 HydrophobicContact CD2-CG2 3.93Å; H16-V122 PolarHBondContact NE2-N 2.81Å; H16-V122 PolarHBondContact NE2-O 3.3Å; L21-V122 HydrophobicContact CD1-CB 4.26Å; L21-V122 HydrophobicContact CD1-CG2 3.99Å; I24-V122 HydrophobicContact CD1-CG1 3.44Å; I24-V122 VanDerWaalsContact CD1-CG1 3.44Å; I24-V122 HydrophobicContact CG2-CG1 4.16Å; V122-A124 HydrophobicContact CG1-CB 4.48Å; V122-A124 PolarHBondContact O-N 3.07Å; V122-A124 VanDerWaalsContact O-N 3.15Å; V122-A125 HydrophobicContact CB-CB 4.35Å; V122-A125 HydrophobicContact CG1-CB 4.12Å; V122-A125 PolarHBondContact O-N 3.38Å; V122-L126 PolarHBondContact O-N 2.93Å
123P97.4Very high96Very high85 Ų8581.2 Ų81.255%0.55241%0.411SS*.G310 helixtrans-55.5-37.6-175.1-2735.3000112.9V121 A125 L126V121-P123 WeakPolarHBondContact O-CD 3.39Å; P123-A125 PolarHBondContact O-N 2.87Å; P123-L126 PolarHBondContact O-N 3.4Å; P123-L126 VanDerWaalsContact O-N 3.12Å
124A97.3Very high96.1Very high38 Ų3881.9 Ų81.931%0.31442%0.418SS..G310 helixtrans-63.3-13.6177.900000114.6I24 V122 R130I24-A124 HydrophobicContact CD1-CB 3.93Å; V122-A124 HydrophobicContact CG1-CB 4.48Å; V122-A124 PolarHBondContact O-N 3.07Å; V122-A124 VanDerWaalsContact O-N 3.15Å; A124-R130 WeakPolarHBondContact O-CG 3.31Å; A124-R130 PolarHBondContact O-NE 3.23Å
125A97.6Very high96.2Very high0 Ų088.4 Ų88.40%044%0.443CS..G310 helixtrans-116.6-0.117700000113.2H16 L17 R20 L21 I24 V122 P123 K127H16-A125 CarbonylContact C-O 3.47Å; H16-A125 WeakPolarHBondContact CA-O 3.5Å; L17-A125 PolarHBondContact N-O 2.88Å; R20-A125 HydrophobicContact CB-CB 3.81Å; L21-A125 HydrophobicContact CB-CB 4.07Å; I24-A125 HydrophobicContact CD1-CB 4.25Å; V122-A125 HydrophobicContact CB-CB 4.35Å; V122-A125 HydrophobicContact CG1-CB 4.12Å; V122-A125 PolarHBondContact O-N 3.38Å; P123-A125 PolarHBondContact O-N 2.87Å; A125-K127 PolarHBondContact O-N 3.07Å
126L97.9Very high96.5Very high34 Ų3494.3 Ų94.318%0.17847%0.466CS..BIsolated β-bridgetrans-67.2133.2177.8-80.5-179.5000111.8V121 V122 P123 I128 V129 R130V121-L126 HydrophobicContact CG1-CD1 3.64Å; V121-L126 HydrophobicContact CG1-CD2 3.72Å; V121-L126 HydrophobicContact CG1-CG 3.73Å; V122-L126 PolarHBondContact O-N 2.93Å; P123-L126 PolarHBondContact O-N 3.4Å; P123-L126 VanDerWaalsContact O-N 3.12Å; L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 HydrophobicContact CB-CG2 4.31Å; L126-I128 HydrophobicContact CD1-CG2 4.43Å; L126-I128 PolarHBondContact O-N 3.28Å; L126-V129 HydrophobicContact CB-CB 4.23Å; L126-V129 HydrophobicContact CB-CG2 3.93Å; L126-V129 HydrophobicContact CD1-CG2 4.21Å; L126-V129 PolarHBondContact O-N 2.85Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 WeakPolarHBondContact O-CG 3.44Å; L126-R130 PolarHBondContact O-N 3.05Å
127K97.4Very high96.8Very high51 Ų5191.4 Ų91.422%0.22245%0.454CS..Hα-helixtrans-59.7-42176.9179.5-110-59.2-1690111.9G15 L17 N44 A125 V129 R130 L131 F137G15-K127 WeakPolarHBondContact O-CB 3.49Å; G15-K127 PolarHBondContact O-N 3.41Å; L17-K127 HydrophobicContact CD2-CB 4.12Å; L17-K127 HydrophobicContact CD2-CG 4.1Å; L17-K127 HydrophobicContact CG-CB 4.14Å; N44-K127 HydrophobicContact CB-CG 4.45Å; N44-K127 VanDerWaalsContact ND2-CE 3.26Å; N44-K127 WeakPolarHBondContact ND2-CE 3.47Å; A125-K127 PolarHBondContact O-N 3.07Å; K127-V129 PolarHBondContact O-N 3.39Å; K127-R130 PolarHBondContact O-N 3.37Å; K127-L131 HydrophobicContact CD-CD2 4.41Å; K127-L131 HydrophobicContact CG-CB 4.14Å; K127-L131 HydrophobicContact CG-CD2 4.08Å; K127-L131 WeakPolarHBondContact O-CA 3.29Å; K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.12Å; K127-F137 HydrophobicContact CD-CD1 4.04Å; K127-F137 HydrophobicContact CD-CE1 4.27Å; K127-F137 HydrophobicContact CD-CG 4.29Å; K127-F137 VanDerWaalsContact NZ-CE1 3.26Å
128I96.9Very high97Very high144 Ų14487.2 Ų87.274%0.73844%0.438SS*.Hα-helixtrans-64-31-180-165.5166.2000112.7L126L126-I128 VanDerWaalsContact C-N 3.34Å; L126-I128 HydrophobicContact CB-CG2 4.31Å; L126-I128 HydrophobicContact CD1-CG2 4.43Å; L126-I128 PolarHBondContact O-N 3.28Å
129V97.3Very high97.3Very high87 Ų8782 Ų8253%0.52742%0.419SS..Hα-helixtrans-85.3-35.5179.1-179.30000111.3L126 K127L126-V129 HydrophobicContact CB-CB 4.23Å; L126-V129 HydrophobicContact CB-CG2 3.93Å; L126-V129 HydrophobicContact CD1-CG2 4.21Å; L126-V129 PolarHBondContact O-N 2.85Å; K127-V129 PolarHBondContact O-N 3.39Å
130R97.4Very high97.4Very high114 Ų11478.5 Ų78.543%0.4341%0.406SS..Hα-helixtrans-101.3-13.6-169-63.6-54.9-164.6-170.60.9115.1L17 A124 L126 K127L17-R130 HydrophobicContact CD1-CB 3.82Å; A124-R130 WeakPolarHBondContact O-CG 3.31Å; A124-R130 PolarHBondContact O-NE 3.23Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 WeakPolarHBondContact O-CG 3.44Å; L126-R130 PolarHBondContact O-N 3.05Å; K127-R130 PolarHBondContact O-N 3.37Å
131L96.2Very high97.5Very high32 Ų3274.2 Ų74.217%0.16839%0.385CS..SBendtrans-116.1135.8-178.1-160.981000109.6K127 R135 F137K127-L131 HydrophobicContact CD-CD2 4.41Å; K127-L131 HydrophobicContact CG-CB 4.14Å; K127-L131 HydrophobicContact CG-CD2 4.08Å; K127-L131 WeakPolarHBondContact O-CA 3.29Å; K127-L131 WeakPolarHBondContact O-CB 3.47Å; K127-L131 PolarHBondContact O-N 3.12Å; L131-R135 HydrophobicContact CD1-CB 4.34Å; L131-R135 HydrophobicContact CD2-CB 4.06Å; L131-R135 WeakPolarHBondContact CD2-O 3.48Å; L131-R135 HydrophobicContact CG-CB 3.99Å; L131-F137 HydrophobicContact CD2-CB 4.18Å
132K97.1Very high97.5Very high152 Ų15277 Ų7766%0.66139%0.388SS*.  trans-59.8138.9171.1-68.6-173176.8-171.10110S134 R135K132-S134 VanDerWaalsContact C-N 3.27Å; K132-S134 PolarHBondContact O-N 2.8Å; K132-R135 HydrophobicContact CB-CG 3.96Å; K132-R135 WeakPolarHBondContact O-CB 3.4Å; K132-R135 PolarHBondContact O-N 3.02Å
133P96.3Very high97.5Very high139 Ų13976.1 Ų76.190%0.90338%0.382SS*.THydrogen-bonded Turntrans-55.8-35.9-175.5-28.435.3000114.7R135P133-R135 VanDerWaalsContact C-N 3.26Å; P133-R135 PolarHBondContact O-N 3.24Å
134S96.8Very high97.6Very high104 Ų10472.1 Ų72.173%0.72736%0.356SS*.THydrogen-bonded Turntrans-73.8-10.1-179.5590000114.7K132K132-S134 VanDerWaalsContact C-N 3.27Å; K132-S134 PolarHBondContact O-N 2.8Å
135R97.4Very high97.6Very high162 Ų16274.7 Ų74.761%0.61136%0.361SS*.SBendtrans-86.7125.9-175-65.2-66.6-169174.11.9111L131 K132 P133L131-R135 HydrophobicContact CD1-CB 4.34Å; L131-R135 HydrophobicContact CD2-CB 4.06Å; L131-R135 WeakPolarHBondContact CD2-O 3.48Å; L131-R135 HydrophobicContact CG-CB 3.99Å; K132-R135 HydrophobicContact CB-CG 3.96Å; K132-R135 WeakPolarHBondContact O-CB 3.4Å; K132-R135 PolarHBondContact O-N 3.02Å; P133-R135 VanDerWaalsContact C-N 3.26Å; P133-R135 PolarHBondContact O-N 3.24Å
136K97.8Very high97.6Very high164 Ų16477.8 Ų77.871%0.71338%0.376SS*.  trans-61.1146.3173.3-63.4-178.3-178.1-1790111G47 N48G47-K136 CarbonylContact C-O 3.58Å; G47-K136 WeakPolarHBondContact CA-O 3.37Å; G47-K136 PolarHBondContact N-O 3.28Å; N48-K136 HydrophobicContact CB-CB 4.19Å; N48-K136 HydrophobicContact CB-CD 4.31Å
137F98.3Very high97.6Very high86 Ų8676.8 Ų76.838%0.37737%0.371SS..EExtended strand (participates in β ladder)trans-133164.7174.565.1-86.3000110N44 I45 G47 K127 L131N44-F137 HydrophobicContact CB-CD2 4.02Å; N44-F137 WeakPolarHBondContact OD1-CD2 3.3Å; N44-F137 WeakPolarHBondContact OD1-CE2 3.41Å; I45-F137 CarbonylContact O-C 3.34Å; I45-F137 WeakPolarHBondContact O-CA 3.33Å; I45-F137 WeakPolarHBondContact O-CB 3.35Å; G47-F137 CarbonylContact O-C 3.56Å; G47-F137 WeakPolarHBondContact O-CA 3.25Å; K127-F137 HydrophobicContact CD-CD1 4.04Å; K127-F137 HydrophobicContact CD-CE1 4.27Å; K127-F137 HydrophobicContact CD-CG 4.29Å; K127-F137 VanDerWaalsContact NZ-CE1 3.26Å; L131-F137 HydrophobicContact CD2-CB 4.18Å
138A98.3Very high97.5Very high1 Ų176.4 Ų76.41%0.00838%0.382CS..EExtended strand (participates in β ladder)trans-114.6138.3175.200000110N44 I45 G47 F49 N52N44-A138 CarbonylContact C-O 3.22Å; N44-A138 VanDerWaalsContact CA-O 3.28Å; N44-A138 WeakPolarHBondContact CA-O 3.45Å; I45-A138 PolarHBondContact N-O 3.42Å; I45-A138 PolarHBondContact O-N 3.27Å; G47-A138 PolarHBondContact O-N 2.86Å; F49-A138 HydrophobicContact CB-CB 4.42Å; F49-A138 HydrophobicContact CD2-CB 4.12Å; N52-A138 HydrophobicContact CB-CB 4.06Å
139L98.3Very high97.6Very high72 Ų7270 Ų7038%0.37735%0.348SS..EExtended strand (participates in β ladder)trans-84.9130.4171.9-165.1116.1000109.6E41 G141 R142 L143E41-L139 VanDerWaalsContact O-CD2 3.28Å; E41-L139 WeakPolarHBondContact O-CD2 3.48Å; E41-L139 WeakPolarHBondContact O-CG 3.3Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 2.85Å; L139-R142 HydrophobicContact CB-CB 4.44Å; L139-R142 PolarHBondContact O-N 2.62Å; L139-L143 PolarHBondContact O-N 3.5Å; L139-L143 VanDerWaalsContact O-N 3.1Å
140L98.3Very high97.6Very high0 Ų074.4 Ų74.40%036%0.36CS..Hα-helixtrans-64.3-37.3-177.1-174.465.2000111.9L18 I43 I45 P78 I81 R142 L143 A144L18-L140 HydrophobicContact CD1-CD2 3.93Å; I43-L140 HydrophobicContact CB-CB 4.21Å; I43-L140 HydrophobicContact CB-CD2 4.09Å; I43-L140 HydrophobicContact CG2-CD2 4.37Å; I43-L140 WeakPolarHBondContact O-CB 3.11Å; I43-L140 PolarHBondContact O-N 2.77Å; I45-L140 HydrophobicContact CD1-CD1 4.02Å; P78-L140 HydrophobicContact CB-CD2 3.82Å; P78-L140 HydrophobicContact CB-CG 3.87Å; I81-L140 HydrophobicContact CB-CD1 4.3Å; I81-L140 HydrophobicContact CD1-CD1 4.08Å; I81-L140 HydrophobicContact CG2-CD1 3.86Å; L140-R142 PolarHBondContact O-N 3.21Å; L140-L143 HydrophobicContact CD1-CD2 4.32Å; L140-L143 PolarHBondContact O-N 2.8Å; L140-A144 VanDerWaalsContact O-CB 3.22Å; L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.36Å
141G98.1Very high97.7Very high2 Ų275.7 Ų75.72%0.02137%0.366CS..Hα-helixtrans-58.5-43.9175.500000113.6E41 L139 H145E41-G141 WeakPolarHBondContact O-CA 3.46Å; E41-G141 PolarHBondContact O-N 2.81Å; L139-G141 VanDerWaalsContact C-N 3.32Å; L139-G141 PolarHBondContact O-N 2.85Å; G141-H145 PolarHBondContact O-N 3.33Å
142R98.1Very high97.7Very high129 Ų12977.5 Ų77.549%0.48737%0.374SS..Hα-helixtrans-66.7-45176.2-178.2-174.8167.5170.41.6110.9F49 L139 L140 A144 H145 E146F49-R142 HydrophobicContact CD2-CG 4.31Å; F49-R142 HydrophobicContact CE2-CB 4.06Å; F49-R142 HydrophobicContact CE2-CG 3.6Å; F49-R142 HydrophobicContact CZ-CG 3.89Å; L139-R142 HydrophobicContact CB-CB 4.44Å; L139-R142 PolarHBondContact O-N 2.62Å; L140-R142 PolarHBondContact O-N 3.21Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 3.41Å; R142-H145 PolarHBondContact O-N 2.98Å; R142-E146 IonicContact CZ-OE1 3.55Å; R142-E146 IonicContact NE-OE1 2.85Å; R142-E146 PolarHBondContact NE-OE1 3.37Å; R142-E146 IonicContact NH2-OE1 3.24Å; R142-E146 PolarHBondContact NH2-OE1 3.02Å; R142-E146 PolarHBondContact O-N 2.91Å; R142-E146 VanDerWaalsContact O-N 3.09Å
143L98.2Very high97.7Very high3 Ų373.7 Ų73.72%0.01637%0.37CS..Hα-helixtrans-58.8-47.6178.4175.763.9000110.7I45 F49 N52 K53 Y56 L139 L140 H145 E146 V147I45-L143 HydrophobicContact CD1-CD2 3.84Å; F49-L143 HydrophobicContact CE2-CB 4.08Å; N52-L143 HydrophobicContact CB-CD2 4.46Å; K53-L143 HydrophobicContact CB-CD1 4.09Å; Y56-L143 HydrophobicContact CD2-CD2 4.45Å; L139-L143 PolarHBondContact O-N 3.5Å; L139-L143 VanDerWaalsContact O-N 3.1Å; L140-L143 HydrophobicContact CD1-CD2 4.32Å; L140-L143 PolarHBondContact O-N 2.8Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 2.78Å; L143-E146 PolarHBondContact O-N 2.72Å; L143-V147 HydrophobicContact CD1-CG1 4.35Å; L143-V147 WeakPolarHBondContact O-CG1 3.45Å; L143-V147 WeakPolarHBondContact O-CG2 3.5Å; L143-V147 PolarHBondContact O-N 2.93Å
144A98.3Very high97.8Very high0 Ų071.8 Ų71.80%035%0.352CS..Hα-helixtrans-57.4-45.3177.800000112R76 P78 I81 L140 R142 V147 G148 W149R76-A144 WeakPolarHBondContact O-CB 3.36Å; P78-A144 HydrophobicContact CB-CB 4.48Å; P78-A144 HydrophobicContact CG-CB 3.61Å; I81-A144 HydrophobicContact CD1-CB 4.24Å; L140-A144 VanDerWaalsContact O-CB 3.22Å; L140-A144 WeakPolarHBondContact O-CB 3.43Å; L140-A144 PolarHBondContact O-N 3.36Å; R142-A144 VanDerWaalsContact C-N 3.32Å; R142-A144 PolarHBondContact O-N 3.41Å; A144-V147 VanDerWaalsContact O-CG2 3.22Å; A144-V147 WeakPolarHBondContact O-CG2 3.35Å; A144-V147 PolarHBondContact O-N 3.04Å; A144-G148 PolarHBondContact O-N 2.9Å; A144-W149 VanDerWaalsContact C-CB 3.44Å; A144-W149 HydrophobicContact CB-CB 3.91Å; A144-W149 HydrophobicContact CB-CD2 4.28Å; A144-W149 HydrophobicContact CB-CE3 3.92Å; A144-W149 HydrophobicContact CB-CG 4.32Å; A144-W149 WeakPolarHBondContact O-CB 3.28Å; A144-W149 PolarHBondContact O-N 3.1Å
145H98.4Very high97.8Very high92 Ų9267.7 Ų67.743%0.42632%0.322SS..Hα-helixtrans-60.7-50.6178179.260.4000112G141 R142 L143 V147 G148 W149 Q152G141-H145 PolarHBondContact O-N 3.33Å; R142-H145 PolarHBondContact O-N 2.98Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 2.78Å; H145-V147 PolarHBondContact O-N 3.16Å; H145-V147 VanDerWaalsContact O-N 3.1Å; H145-G148 PolarHBondContact O-N 3.3Å; H145-W149 PolarHBondContact ND1-O 3.5Å; H145-W149 VanDerWaalsContact ND1-O 3.13Å; H145-Q152 HydrophobicContact CB-CB 4.33Å; H145-Q152 PolarHBondContact CD2-OE1 3.42Å; H145-Q152 PolarHBondContact ND1-OE1 3.18Å
146E97.7Very high97.9Very high65 Ų6562.7 Ų62.730%0.30432%0.316SS..Hα-helixtrans-65.6-15.9-178.7-70.2-167.5-147.500114.1F49 K53 R142 L143F49-E146 WeakPolarHBondContact CE1-OE1 3.48Å; F49-E146 WeakPolarHBondContact CE1-OE2 3.3Å; F49-E146 HydrophobicContact CZ-CB 4.36Å; F49-E146 HydrophobicContact CZ-CG 4.05Å; F49-E146 WeakPolarHBondContact CZ-OE1 3.36Å; F49-E146 WeakPolarHBondContact CZ-OE2 3.48Å; K53-E146 VanDerWaalsContact CD-OE2 3.3Å; K53-E146 WeakPolarHBondContact CD-OE2 3.31Å; K53-E146 VanDerWaalsContact CE-OE2 3.27Å; K53-E146 WeakPolarHBondContact CE-OE2 3.42Å; K53-E146 IonicContact NZ-OE2 3.93Å; K53-E146 PolarHBondContact NZ-OE2 3.45Å; R142-E146 IonicContact CZ-OE1 3.55Å; R142-E146 IonicContact NE-OE1 2.85Å; R142-E146 PolarHBondContact NE-OE1 3.37Å; R142-E146 IonicContact NH2-OE1 3.24Å; R142-E146 PolarHBondContact NH2-OE1 3.02Å; R142-E146 PolarHBondContact O-N 2.91Å; R142-E146 VanDerWaalsContact O-N 3.09Å; L143-E146 PolarHBondContact O-N 2.72Å
147V96.5Very high97.9Very high14 Ų1458.8 Ų58.89%0.08531%0.306CS..THydrogen-bonded Turntrans-99.1-3.2174.3-57.60000113.1Y56 L60 R76 L143 A144 H145Y56-V147 HydrophobicContact CD1-CB 3.83Å; Y56-V147 HydrophobicContact CD1-CG1 3.59Å; Y56-V147 HydrophobicContact CD1-CG2 3.81Å; Y56-V147 HydrophobicContact CE1-CB 4.08Å; Y56-V147 HydrophobicContact CE1-CG1 4.32Å; Y56-V147 HydrophobicContact CE1-CG2 3.66Å; Y56-V147 HydrophobicContact CG-CG1 4.13Å; L60-V147 HydrophobicContact CD1-CB 4.37Å; R76-V147 WeakPolarHBondContact CD-O 3.42Å; R76-V147 PolarHBondContact NE-O 3.3Å; L143-V147 HydrophobicContact CD1-CG1 4.35Å; L143-V147 WeakPolarHBondContact O-CG1 3.45Å; L143-V147 WeakPolarHBondContact O-CG2 3.5Å; L143-V147 PolarHBondContact O-N 2.93Å; A144-V147 VanDerWaalsContact O-CG2 3.22Å; A144-V147 WeakPolarHBondContact O-CG2 3.35Å; A144-V147 PolarHBondContact O-N 3.04Å; H145-V147 PolarHBondContact O-N 3.16Å; H145-V147 VanDerWaalsContact O-N 3.1Å
148G96.6Very high97.9Very high42 Ų4259.5 Ų59.543%0.43331%0.313SS..THydrogen-bonded Turntrans122.918.4172.200000116.3A144 H145 K150A144-G148 PolarHBondContact O-N 2.9Å; H145-G148 PolarHBondContact O-N 3.3Å; G148-K150 PolarHBondContact O-N 2.8Å
149W98.5Very high97.8Very high10 Ų1060 Ų604%0.03832%0.315CS..  trans-77.8116.8170.6-179.650.2000110.9E41 R76 P78 D108 A144 H145 Y151 Q152 T155E41-W149 HydrophobicContact CB-CH2 4.14Å; E41-W149 HydrophobicContact CB-CZ3 4.36Å; R76-W149 HydrophobicContact CB-CB 4.21Å; P78-W149 HydrophobicContact CG-CD2 4.15Å; P78-W149 HydrophobicContact CG-CE3 3.86Å; P78-W149 HydrophobicContact CG-CH2 4Å; P78-W149 HydrophobicContact CG-CZ2 4.27Å; P78-W149 HydrophobicContact CG-CZ3 3.77Å; D108-W149 HydrophobicContact CB-CZ2 4.12Å; A144-W149 VanDerWaalsContact C-CB 3.44Å; A144-W149 HydrophobicContact CB-CB 3.91Å; A144-W149 HydrophobicContact CB-CD2 4.28Å; A144-W149 HydrophobicContact CB-CE3 3.92Å; A144-W149 HydrophobicContact CB-CG 4.32Å; A144-W149 WeakPolarHBondContact O-CB 3.28Å; A144-W149 PolarHBondContact O-N 3.1Å; H145-W149 PolarHBondContact ND1-O 3.5Å; H145-W149 VanDerWaalsContact ND1-O 3.13Å; W149-Y151 AromaticContact CD1-CD2 3.92Å; W149-Y151 AromaticContact NE1-CD2 3.7Å; W149-Q152 HydrophobicContact CE3-CB 3.89Å; W149-Q152 HydrophobicContact CE3-CG 4.43Å; W149-Q152 HydrophobicContact CH2-CB 4.35Å; W149-Q152 HydrophobicContact CZ3-CB 3.71Å; W149-Q152 HydrophobicContact CZ3-CG 3.91Å; W149-T155 HydrophobicContact CH2-CG2 4.47Å
150K98.1Very high97.8Very high179 Ų17960.9 Ų60.978%0.77832%0.317SS*.THydrogen-bonded Turntrans-84.8-17-172.3-60-175.6179.1-175.20114.6G148G148-K150 PolarHBondContact O-N 2.8Å
151Y97.8Very high97.8Very high142 Ų14267.1 Ų67.156%0.55734%0.344SS*.THydrogen-bonded Turntrans-97.114.9-167.9-52.1-73.5000114.3W149 A153 I154 T155W149-Y151 AromaticContact CD1-CD2 3.92Å; W149-Y151 AromaticContact NE1-CD2 3.7Å; Y151-A153 PolarHBondContact O-N 2.92Å; Y151-I154 HydrophobicContact CD1-CD1 4.27Å; Y151-T155 VanDerWaalsContact O-CB 3.3Å; Y151-T155 WeakPolarHBondContact O-CB 3.48Å; Y151-T155 PolarHBondContact O-N 3.36Å; Y151-T155 PolarHBondContact O-OG1 2.85Å
152Q97.4Very high97.7Very high69 Ų6968.8 Ų68.832%0.32235%0.35SS..Hα-helixtrans-59.7-50-177.5-172.8-176.113.200111.9H145 W149 T155 A156H145-Q152 HydrophobicContact CB-CB 4.33Å; H145-Q152 PolarHBondContact CD2-OE1 3.42Å; H145-Q152 PolarHBondContact ND1-OE1 3.18Å; W149-Q152 HydrophobicContact CE3-CB 3.89Å; W149-Q152 HydrophobicContact CE3-CG 4.43Å; W149-Q152 HydrophobicContact CH2-CB 4.35Å; W149-Q152 HydrophobicContact CZ3-CB 3.71Å; W149-Q152 HydrophobicContact CZ3-CG 3.91Å; Q152-T155 PolarHBondContact O-N 3.22Å; Q152-A156 PolarHBondContact O-N 3.34Å
153A97.6Very high97.6Very high72 Ų7267.1 Ų67.160%0.59535%0.346SS*.Hα-helixtrans-64-47.3-178.700000112Y151 T155 A156 T157Y151-A153 PolarHBondContact O-N 2.92Å; A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 2.87Å; A153-A156 WeakPolarHBondContact O-CB 3.25Å; A153-A156 PolarHBondContact O-N 2.86Å; A153-A156 VanDerWaalsContact O-N 3.15Å; A153-T157 WeakPolarHBondContact O-CG2 3.15Å; A153-T157 PolarHBondContact O-N 2.95Å
154I97.5Very high97.6Very high99 Ų9972.4 Ų72.451%0.50837%0.371SS..Hα-helixtrans-61.8-41178.3-63.7167.1000111.1Y151 A156 T157 L158Y151-I154 HydrophobicContact CD1-CD1 4.27Å; I154-A156 VanDerWaalsContact C-N 3.31Å; I154-A156 PolarHBondContact O-N 2.77Å; I154-T157 PolarHBondContact O-N 2.78Å; I154-T157 PolarHBondContact O-OG1 3.01Å; I154-L158 HydrophobicContact CG2-CD1 3.99Å; I154-L158 HydrophobicContact CG2-CG 4.42Å; I154-L158 WeakPolarHBondContact O-CB 3.5Å; I154-L158 VanDerWaalsContact O-CG 3.29Å; I154-L158 WeakPolarHBondContact O-CG 3.28Å; I154-L158 PolarHBondContact O-N 3.37Å
155T97.6Very high97.5Very high18 Ų1879.8 Ų79.811%0.1140%0.403CS..Hα-helixtrans-65.1-39177.2-53.20000110.9D108 W149 Y151 Q152 A153 E159D108-T155 HydrophobicContact CB-CG2 4.42Å; W149-T155 HydrophobicContact CH2-CG2 4.47Å; Y151-T155 VanDerWaalsContact O-CB 3.3Å; Y151-T155 WeakPolarHBondContact O-CB 3.48Å; Y151-T155 PolarHBondContact O-N 3.36Å; Y151-T155 PolarHBondContact O-OG1 2.85Å; Q152-T155 PolarHBondContact O-N 3.22Å; A153-T155 VanDerWaalsContact C-N 3.32Å; A153-T155 PolarHBondContact O-N 2.87Å; T155-E159 WeakPolarHBondContact O-CB 3.07Å; T155-E159 WeakPolarHBondContact O-CG 3.14Å; T155-E159 PolarHBondContact O-N 2.87Å
156A97.8Very high97.4Very high58 Ų5877 Ų7748%0.47940%0.399SS..Hα-helixtrans-64-44.4177.100000112.2Q152 A153 I154 E159 E160Q152-A156 PolarHBondContact O-N 3.34Å; A153-A156 WeakPolarHBondContact O-CB 3.25Å; A153-A156 PolarHBondContact O-N 2.86Å; A153-A156 VanDerWaalsContact O-N 3.15Å; I154-A156 VanDerWaalsContact C-N 3.31Å; I154-A156 PolarHBondContact O-N 2.77Å; A156-E159 PolarHBondContact O-N 3.31Å; A156-E160 PolarHBondContact O-N 3.27Å
157T98.3Very high97.3Very high81 Ų8180.3 Ų80.350%0.49741%0.412SS..Hα-helixtrans-65.4-40.917858.40000112.1A153 I154 E160 K161A153-T157 WeakPolarHBondContact O-CG2 3.15Å; A153-T157 PolarHBondContact O-N 2.95Å; I154-T157 PolarHBondContact O-N 2.78Å; I154-T157 PolarHBondContact O-OG1 3.01Å; T157-E160 PolarHBondContact O-N 3.2Å; T157-K161 WeakPolarHBondContact O-CG 3.26Å; T157-K161 PolarHBondContact O-N 2.92Å; T157-K161 VanDerWaalsContact O-N 3.1Å
158L97.7Very high97.3Very high101 Ų10184.6 Ų84.653%0.52943%0.434SS..Hα-helixtrans-66-40.7175.4-69.4175.1000112.4I154 E160 K161 R162I154-L158 HydrophobicContact CG2-CD1 3.99Å; I154-L158 HydrophobicContact CG2-CG 4.42Å; I154-L158 WeakPolarHBondContact O-CB 3.5Å; I154-L158 VanDerWaalsContact O-CG 3.29Å; I154-L158 WeakPolarHBondContact O-CG 3.28Å; I154-L158 PolarHBondContact O-N 3.37Å; L158-E160 VanDerWaalsContact C-N 3.3Å; L158-E160 PolarHBondContact O-N 3.18Å; L158-K161 PolarHBondContact O-N 3.28Å; L158-R162 WeakPolarHBondContact O-CB 3.41Å; L158-R162 PolarHBondContact O-N 3Å
159E97.7Very high97.2Very high13 Ų1389.5 Ų89.56%0.06144%0.44CS..Hα-helixtrans-65-33.7175.1-85.6-67.1112.200112.1R39 G109 I110 T155 A156 R162 K163R39-E159 IonicContact NE-OE2 3.65Å; G109-E159 WeakPolarHBondContact CA-OE1 3.15Å; I110-E159 PolarHBondContact N-OE1 3.37Å; T155-E159 WeakPolarHBondContact O-CB 3.07Å; T155-E159 WeakPolarHBondContact O-CG 3.14Å; T155-E159 PolarHBondContact O-N 2.87Å; A156-E159 PolarHBondContact O-N 3.31Å; E159-R162 WeakPolarHBondContact O-CB 3.42Å; E159-R162 PolarHBondContact O-N 2.93Å; E159-R162 WeakPolarHBondContact OE1-CD 3.22Å; E159-R162 IonicContact OE1-CZ 3.87Å; E159-R162 IonicContact OE1-NE 2.89Å; E159-R162 PolarHBondContact OE1-NE 3.01Å; E159-R162 IonicContact OE1-NH2 3.95Å; E159-R162 IonicContact OE2-CZ 3.41Å; E159-R162 IonicContact OE2-NE 3.19Å; E159-R162 PolarHBondContact OE2-NE 2.91Å; E159-R162 IonicContact OE2-NH2 2.76Å; E159-R162 PolarHBondContact OE2-NH2 3.5Å; E159-K163 VanDerWaalsContact O-CG 3.31Å; E159-K163 WeakPolarHBondContact O-CG 3.39Å; E159-K163 PolarHBondContact O-N 3.15Å
160E97.9Very high97.1Very high89 Ų8996.2 Ų96.242%0.41647%0.466SS..Hα-helixtrans-67.9-49.4176.2-157.256.4-145.500111.5A156 T157 L158 R162 K163 E164A156-E160 PolarHBondContact O-N 3.27Å; T157-E160 PolarHBondContact O-N 3.2Å; L158-E160 VanDerWaalsContact C-N 3.3Å; L158-E160 PolarHBondContact O-N 3.18Å; E160-R162 PolarHBondContact O-N 3.41Å; E160-R162 VanDerWaalsContact O-N 3.15Å; E160-K163 WeakPolarHBondContact O-CA 3.48Å; E160-K163 WeakPolarHBondContact O-CB 3.35Å; E160-K163 PolarHBondContact O-N 3.46Å; E160-K163 IonicContact OE2-NZ 2.86Å; E160-K163 PolarHBondContact OE2-NZ 3.4Å; E160-E164 PolarHBondContact O-N 3Å
161K97.5Very high97.1Very high131 Ų13191.9 Ų91.957%0.5745%0.449SS*.Hα-helixtrans-53.1-38.4171.2-69.7-178.9179.5-175.90112T157 L158 K165T157-K161 WeakPolarHBondContact O-CG 3.26Å; T157-K161 PolarHBondContact O-N 2.92Å; T157-K161 VanDerWaalsContact O-N 3.1Å; L158-K161 PolarHBondContact O-N 3.28Å; K161-K165 WeakPolarHBondContact O-CG 3.4Å; K161-K165 PolarHBondContact O-N 2.69Å
162R97.1Very high97.1Very high37 Ų3792.9 Ų92.914%0.1446%0.456CS..Hα-helixtrans-69.4-38.1176.4-168.6-158.857.657.76.7112.2D115 L158 E159 E160 G166D115-R162 HydrophobicContact CB-CG 4.12Å; L158-R162 WeakPolarHBondContact O-CB 3.41Å; L158-R162 PolarHBondContact O-N 3Å; E159-R162 WeakPolarHBondContact O-CB 3.42Å; E159-R162 PolarHBondContact O-N 2.93Å; E159-R162 WeakPolarHBondContact OE1-CD 3.22Å; E159-R162 IonicContact OE1-CZ 3.87Å; E159-R162 IonicContact OE1-NE 2.89Å; E159-R162 PolarHBondContact OE1-NE 3.01Å; E159-R162 IonicContact OE1-NH2 3.95Å; E159-R162 IonicContact OE2-CZ 3.41Å; E159-R162 IonicContact OE2-NE 3.19Å; E159-R162 PolarHBondContact OE2-NE 2.91Å; E159-R162 IonicContact OE2-NH2 2.76Å; E159-R162 PolarHBondContact OE2-NH2 3.5Å; E160-R162 PolarHBondContact O-N 3.41Å; E160-R162 VanDerWaalsContact O-N 3.15Å; R162-G166 PolarHBondContact O-N 2.87Å
163K96.6Very high97Very high95 Ų9595.8 Ų95.841%0.41347%0.468SS..Hα-helixtrans-67.1-40.7177.1-74.6176.4-147.7154.60111.6E159 E160 G166 K167E159-K163 VanDerWaalsContact O-CG 3.31Å; E159-K163 WeakPolarHBondContact O-CG 3.39Å; E159-K163 PolarHBondContact O-N 3.15Å; E160-K163 WeakPolarHBondContact O-CA 3.48Å; E160-K163 WeakPolarHBondContact O-CB 3.35Å; E160-K163 PolarHBondContact O-N 3.46Å; E160-K163 IonicContact OE2-NZ 2.86Å; E160-K163 PolarHBondContact OE2-NZ 3.4Å; K163-G166 CarbonylContact O-C 3.57Å; K163-G166 WeakPolarHBondContact O-CA 3.04Å; K163-G166 PolarHBondContact O-N 2.82Å; K163-G166 VanDerWaalsContact O-N 3.08Å; K163-K167 PolarHBondContact O-N 3.48Å
164E97.6Very high97Very high114 Ų11499.2 Ų99.253%0.53347%0.469SS..Hα-helixtrans-57.4-52.3175.1-69.5171.5170.100111.2E160 G166 K167 L168E160-E164 PolarHBondContact O-N 3Å; E164-G166 PolarHBondContact O-N 3.08Å; E164-K167 WeakPolarHBondContact O-CB 3.22Å; E164-K167 PolarHBondContact O-N 3.36Å; E164-K167 VanDerWaalsContact O-N 3.07Å; E164-L168 PolarHBondContact O-N 3.46Å; E164-L168 VanDerWaalsContact O-N 3.08Å
165K96.1Very high97Very high154 Ų15498.5 Ų98.567%0.6747%0.469SS*.Hα-helixtrans-58-37.7173.4-67.5178.8-177.4-176.10112.1K161 R169K161-K165 WeakPolarHBondContact O-CG 3.4Å; K161-K165 PolarHBondContact O-N 2.69Å; K165-R169 PolarHBondContact O-N 2.56Å; K165-R169 VanDerWaalsContact O-N 3.12Å
166G95Very high97Very high33 Ų33103.1 Ų103.134%0.3449%0.49SS..Hα-helixtrans-64.4-39175.400000113.4R162 K163 E164 R169 Y170R162-G166 PolarHBondContact O-N 2.87Å; K163-G166 CarbonylContact O-C 3.57Å; K163-G166 WeakPolarHBondContact O-CA 3.04Å; K163-G166 PolarHBondContact O-N 2.82Å; K163-G166 VanDerWaalsContact O-N 3.08Å; E164-G166 PolarHBondContact O-N 3.08Å; G166-R169 PolarHBondContact O-N 2.82Å; G166-Y170 WeakPolarHBondContact O-CB 3.22Å; G166-Y170 PolarHBondContact O-N 3.29Å
167K97Very high97Very high135 Ų135104.3 Ų104.359%0.58749%0.487SS*.Hα-helixtrans-65.3-50.1177.5-174.9-178.7174.7-1730110.6K163 E164 R169 Y170 E171K163-K167 PolarHBondContact O-N 3.48Å; E164-K167 WeakPolarHBondContact O-CB 3.22Å; E164-K167 PolarHBondContact O-N 3.36Å; E164-K167 VanDerWaalsContact O-N 3.07Å; K167-R169 VanDerWaalsContact C-N 3.29Å; K167-R169 PolarHBondContact O-N 3.1Å; K167-Y170 WeakPolarHBondContact O-CA 3.21Å; K167-Y170 WeakPolarHBondContact O-CB 3.47Å; K167-Y170 PolarHBondContact O-N 2.6Å; K167-E171 WeakPolarHBondContact CE-OE1 3.27Å; K167-E171 WeakPolarHBondContact O-CG 3.38Å; K167-E171 PolarHBondContact O-N 3.39Å
168L96.8Very high97Very high104 Ų104108.1 Ų108.155%0.54550%0.497SS..Hα-helixtrans-55.9-43.9175.6-66.4174000112E164 Y170 K172E164-L168 PolarHBondContact O-N 3.46Å; E164-L168 VanDerWaalsContact O-N 3.08Å; L168-Y170 VanDerWaalsContact C-N 3.35Å; L168-Y170 PolarHBondContact O-N 3.1Å; L168-K172 WeakPolarHBondContact O-CG 3.16Å; L168-K172 PolarHBondContact O-N 3.1Å; L168-K172 VanDerWaalsContact O-N 3.14Å
169R94.7Very high97Very high145 Ų145107.8 Ų107.855%0.54750%0.495SS..Hα-helixtrans-63.5-40.4175.7-177-178.7177.9-167.61.5112.1K116 K165 G166 K167 K173K116-R169 VanDerWaalsContact CA-NH1 3.25Å; K116-R169 PolarHBondContact O-NH1 3.31Å; K116-R169 PolarHBondContact O-NH2 3.42Å; K165-R169 PolarHBondContact O-N 2.56Å; K165-R169 VanDerWaalsContact O-N 3.12Å; G166-R169 PolarHBondContact O-N 2.82Å; K167-R169 VanDerWaalsContact C-N 3.29Å; K167-R169 PolarHBondContact O-N 3.1Å; R169-K173 WeakPolarHBondContact O-CB 3.3Å; R169-K173 PolarHBondContact O-N 2.83Å
170Y95.8Very high96.9Very high152 Ų152109.9 Ų109.960%0.59651%0.509SS*.Hα-helixtrans-68.5-41-179.3-179.4-109.5000112G166 K167 L168 K173 K174G166-Y170 WeakPolarHBondContact O-CB 3.22Å; G166-Y170 PolarHBondContact O-N 3.29Å; K167-Y170 WeakPolarHBondContact O-CA 3.21Å; K167-Y170 WeakPolarHBondContact O-CB 3.47Å; K167-Y170 PolarHBondContact O-N 2.6Å; L168-Y170 VanDerWaalsContact C-N 3.35Å; L168-Y170 PolarHBondContact O-N 3.1Å; Y170-K173 WeakPolarHBondContact O-CB 3.43Å; Y170-K173 PolarHBondContact O-N 3.42Å; Y170-K174 PolarHBondContact O-N 3.46Å
171E97.5Very high96.8Very high88 Ų88112.2 Ų112.241%0.41152%0.518SS..Hα-helixtrans-61-49.2175.4-72.9167.6174.700111.2K167 K173 K174 T175K167-E171 WeakPolarHBondContact CE-OE1 3.27Å; K167-E171 WeakPolarHBondContact O-CG 3.38Å; K167-E171 PolarHBondContact O-N 3.39Å; E171-K173 VanDerWaalsContact C-N 3.27Å; E171-K173 PolarHBondContact O-N 2.77Å; E171-K174 WeakPolarHBondContact O-CB 3.17Å; E171-K174 PolarHBondContact O-N 3.28Å; E171-K174 VanDerWaalsContact O-N 3.08Å; E171-T175 PolarHBondContact O-N 3.06Å; E171-T175 PolarHBondContact O-OG1 3.33Å
172K97.2Very high96.8Very high163 Ų163110.5 Ų110.571%0.70951%0.514SS*.Hα-helixtrans-55.2-43.4172.8-70.9-178.2-179.2-170.40112L168 T175 Q176L168-K172 WeakPolarHBondContact O-CG 3.16Å; L168-K172 PolarHBondContact O-N 3.1Å; L168-K172 VanDerWaalsContact O-N 3.14Å; K172-T175 PolarHBondContact O-N 3.08Å; K172-Q176 PolarHBondContact O-N 2.85Å
173K96.4Very high96.8Very high130 Ų130111.1 Ų111.157%0.56553%0.527SS*.Hα-helixtrans-64.2-40.3177.3-169.8-176.8-179.5-1720112.1R169 Y170 E171 Q176 I177R169-K173 WeakPolarHBondContact O-CB 3.3Å; R169-K173 PolarHBondContact O-N 2.83Å; Y170-K173 WeakPolarHBondContact O-CB 3.43Å; Y170-K173 PolarHBondContact O-N 3.42Å; E171-K173 VanDerWaalsContact C-N 3.27Å; E171-K173 PolarHBondContact O-N 2.77Å; K173-Q176 PolarHBondContact O-N 3.22Å; K173-I177 HydrophobicContact CD-CD1 4.46Å; K173-I177 HydrophobicContact CG-CD1 4.01Å; K173-I177 HydrophobicContact CG-CG1 4.48Å; K173-I177 VanDerWaalsContact O-CG1 3.27Å; K173-I177 WeakPolarHBondContact O-CG1 3.41Å; K173-I177 PolarHBondContact O-N 3.3Å
174K97.6Very high96.7Very high143 Ų143111.6 Ų111.662%0.62253%0.531SS*.Hα-helixtrans-63.9-44178.5-171.7-177.2178.3-173.10110.9Y170 E171 I177 K178Y170-K174 PolarHBondContact O-N 3.46Å; E171-K174 WeakPolarHBondContact O-CB 3.17Å; E171-K174 PolarHBondContact O-N 3.28Å; E171-K174 VanDerWaalsContact O-N 3.08Å; K174-I177 PolarHBondContact O-N 3.47Å; K174-K178 PolarHBondContact O-N 3.09Å
175T97.6Very high96.6Very high84 Ų84113.4 Ų113.452%0.51554%0.537SS..Hα-helixtrans-61.1-47.1174.4-55.70000111E171 K172 I177 K178 L179E171-T175 PolarHBondContact O-N 3.06Å; E171-T175 PolarHBondContact O-OG1 3.33Å; K172-T175 PolarHBondContact O-N 3.08Å; T175-I177 PolarHBondContact O-N 3.13Å; T175-K178 WeakPolarHBondContact O-CB 3.36Å; T175-K178 PolarHBondContact O-N 3.04Å; T175-K178 VanDerWaalsContact O-N 3.15Å; T175-L179 HydrophobicContact CG2-CD1 4.21Å; T175-L179 WeakPolarHBondContact O-CG 3.39Å; T175-L179 PolarHBondContact O-N 3.31Å
176Q97.6Very high96.7Very high115 Ų115111.6 Ų111.654%0.53754%0.535SS..Hα-helixtrans-58.2-47.2177-171.464.236.100111.9K172 K173 K178 L179 T180K172-Q176 PolarHBondContact O-N 2.85Å; K173-Q176 PolarHBondContact O-N 3.22Å; Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 3.45Å; Q176-L179 PolarHBondContact O-N 2.83Å; Q176-T180 WeakPolarHBondContact O-CB 3.42Å; Q176-T180 PolarHBondContact O-N 3.47Å; Q176-T180 PolarHBondContact O-OG1 3.24Å
177I97.1Very high96.7Very high83 Ų83112.8 Ų112.843%0.42654%0.535SS..Hα-helixtrans-59.3-41.1177.7-70.8165.8000111K173 K174 T175 T180 K181K173-I177 HydrophobicContact CD-CD1 4.46Å; K173-I177 HydrophobicContact CG-CD1 4.01Å; K173-I177 HydrophobicContact CG-CG1 4.48Å; K173-I177 VanDerWaalsContact O-CG1 3.27Å; K173-I177 WeakPolarHBondContact O-CG1 3.41Å; K173-I177 PolarHBondContact O-N 3.3Å; K174-I177 PolarHBondContact O-N 3.47Å; T175-I177 PolarHBondContact O-N 3.13Å; I177-T180 PolarHBondContact O-N 3.46Å; I177-K181 HydrophobicContact CG2-CD 4.5Å; I177-K181 WeakPolarHBondContact O-CG 3.49Å; I177-K181 PolarHBondContact O-N 3.15Å
178K97.8Very high96.6Very high162 Ų162112.1 Ų112.170%0.70453%0.534SS*.Hα-helixtrans-62.8-45.4177.6-174-178.1177.4-175.20111.2K174 T175 Q176 K181 L182K174-K178 PolarHBondContact O-N 3.09Å; T175-K178 WeakPolarHBondContact O-CB 3.36Å; T175-K178 PolarHBondContact O-N 3.04Å; T175-K178 VanDerWaalsContact O-N 3.15Å; Q176-K178 VanDerWaalsContact C-N 3.28Å; Q176-K178 PolarHBondContact O-N 3.45Å; K178-K181 PolarHBondContact O-N 2.91Å; K178-L182 PolarHBondContact O-N 3.31Å
179L97.9Very high96.6Very high93 Ų93112.1 Ų112.149%0.48754%0.543SS..Hα-helixtrans-65.4-41.8177.7-67.8173.2000111.9T175 Q176 K181 L182 A183T175-L179 HydrophobicContact CG2-CD1 4.21Å; T175-L179 WeakPolarHBondContact O-CG 3.39Å; T175-L179 PolarHBondContact O-N 3.31Å; Q176-L179 PolarHBondContact O-N 2.83Å; L179-K181 PolarHBondContact O-N 3.24Å; L179-L182 PolarHBondContact O-N 2.82Å; L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 3.06Å
180T96.8Very high96.6Very high58 Ų58113.3 Ų113.336%0.35655%0.552SS.*Hα-helixtrans-60.5-44.6176-590000111.2Q176 I177 L182 A183 E184Q176-T180 WeakPolarHBondContact O-CB 3.42Å; Q176-T180 PolarHBondContact O-N 3.47Å; Q176-T180 PolarHBondContact O-OG1 3.24Å; I177-T180 PolarHBondContact O-N 3.46Å; T180-L182 VanDerWaalsContact C-N 3.35Å; T180-L182 PolarHBondContact O-N 3.06Å; T180-A183 PolarHBondContact O-N 3.18Å; T180-E184 WeakPolarHBondContact O-CB 3.46Å; T180-E184 VanDerWaalsContact O-CG 3.31Å; T180-E184 WeakPolarHBondContact O-CG 3.38Å; T180-E184 PolarHBondContact O-N 2.97Å
181K95.9Very high96.6Very high138 Ų138108.9 Ų108.960%0.654%0.538SS*.Hα-helixtrans-63.1-38.3175.3-74.6-173.3174-159.30113.4I177 K178 L179 K185I177-K181 HydrophobicContact CG2-CD 4.5Å; I177-K181 WeakPolarHBondContact O-CG 3.49Å; I177-K181 PolarHBondContact O-N 3.15Å; K178-K181 PolarHBondContact O-N 2.91Å; L179-K181 PolarHBondContact O-N 3.24Å; K181-K185 PolarHBondContact O-N 3.3Å; K181-K185 VanDerWaalsContact O-N 3.08Å
182L97.5Very high96.5Very high94 Ų94106.5 Ų106.549%0.49253%0.533SS..Hα-helixtrans-65.8-42.9175.318062.3000110.9K178 L179 T180 K185 N186K178-L182 PolarHBondContact O-N 3.31Å; L179-L182 PolarHBondContact O-N 2.82Å; T180-L182 VanDerWaalsContact C-N 3.35Å; T180-L182 PolarHBondContact O-N 3.06Å; L182-K185 PolarHBondContact O-N 2.93Å; L182-N186 PolarHBondContact O-N 3.12Å; L182-N186 PolarHBondContact O-OD1 3.49Å
183A96.7Very high96.4Very high51 Ų51106.5 Ų106.542%0.42153%0.533SS..Hα-helixtrans-62.1-45.8175.900000111.6L179 T180 K185 N186 V187L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 3.06Å; T180-A183 PolarHBondContact O-N 3.18Å; A183-K185 VanDerWaalsContact C-N 3.31Å; A183-K185 PolarHBondContact O-N 2.92Å; A183-N186 PolarHBondContact O-N 3.12Å; A183-N186 VanDerWaalsContact O-N 3.16Å; A183-V187 WeakPolarHBondContact O-CG2 3.03Å; A183-V187 PolarHBondContact O-N 3.3Å; A183-V187 VanDerWaalsContact O-N 3.09Å
184E94.9Very high96.3Very high104 Ų104108.1 Ų108.149%0.48654%0.537SS..Hα-helixtrans-54-46.3174.4-76.1167.4-178.700111.4T180 V187 E188T180-E184 WeakPolarHBondContact O-CB 3.46Å; T180-E184 VanDerWaalsContact O-CG 3.31Å; T180-E184 WeakPolarHBondContact O-CG 3.38Å; T180-E184 PolarHBondContact O-N 2.97Å; E184-V187 PolarHBondContact O-N 2.99Å; E184-E188 PolarHBondContact O-N 3.41Å; E184-E188 VanDerWaalsContact O-N 3.15Å
185K95.5Very high96.2Very high152 Ų152102.8 Ų102.866%0.66152%0.516SS*.Hα-helixtrans-64.4-42.5176.7-172177.8-179.8-179.40112.6K181 L182 A183 V187 E188K181-K185 PolarHBondContact O-N 3.3Å; K181-K185 VanDerWaalsContact O-N 3.08Å; L182-K185 PolarHBondContact O-N 2.93Å; A183-K185 VanDerWaalsContact C-N 3.31Å; A183-K185 PolarHBondContact O-N 2.92Å; K185-V187 VanDerWaalsContact C-N 3.27Å; K185-V187 PolarHBondContact O-N 3.26Å; K185-E188 WeakPolarHBondContact O-CB 3.44Å; K185-E188 PolarHBondContact O-N 3.01Å
186N96.8Very high96Very high116 Ų116103.3 Ų103.362%0.6252%0.516SS*.Hα-helixtrans-66.5-28.6-178.5-70.2-7.5000113L182 A183L182-N186 PolarHBondContact O-N 3.12Å; L182-N186 PolarHBondContact O-OD1 3.49Å; A183-N186 PolarHBondContact O-N 3.12Å; A183-N186 VanDerWaalsContact O-N 3.16Å
187V96.6Very high95.9Very high58 Ų58101.1 Ų101.135%0.35251%0.51SS..THydrogen-bonded Turntrans-103.610.6179.7-54.20000113.4A183 E184 K185 S189 K190 I191A183-V187 WeakPolarHBondContact O-CG2 3.03Å; A183-V187 PolarHBondContact O-N 3.3Å; A183-V187 VanDerWaalsContact O-N 3.09Å; E184-V187 PolarHBondContact O-N 2.99Å; K185-V187 VanDerWaalsContact C-N 3.27Å; K185-V187 PolarHBondContact O-N 3.26Å; V187-S189 VanDerWaalsContact C-N 3.29Å; V187-S189 PolarHBondContact O-N 3.4Å; V187-K190 WeakPolarHBondContact O-CA 3.34Å; V187-K190 WeakPolarHBondContact O-CB 3.13Å; V187-K190 PolarHBondContact O-N 3.4Å; V187-I191 HydrophobicContact CG2-CD1 4.21Å; V187-I191 HydrophobicContact CG2-CG1 4.46Å; V187-I191 HydrophobicContact CG2-CG2 4.02Å; V187-I191 PolarHBondContact O-N 3.09Å; V187-I191 VanDerWaalsContact O-N 3.17Å
188E94.9Very high95.8Very high122 Ų122100.5 Ų100.557%0.5751%0.508SS*.Hα-helixtrans-50.3-45.9-172.8-177.8170-155.100112.7E184 K185 K190 I191 A192E184-E188 PolarHBondContact O-N 3.41Å; E184-E188 VanDerWaalsContact O-N 3.15Å; K185-E188 WeakPolarHBondContact O-CB 3.44Å; K185-E188 PolarHBondContact O-N 3.01Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 3.06Å; E188-I191 WeakPolarHBondContact O-CG1 3.17Å; E188-I191 PolarHBondContact O-N 3.2Å; E188-A192 PolarHBondContact O-N 3.09Å
189S95.4Very high95.7Very high103 Ų10397.8 Ų97.872%0.7250%0.496SS*.Hα-helixtrans-60.5-34.6178.257.80000113.5V187V187-S189 VanDerWaalsContact C-N 3.29Å; V187-S189 PolarHBondContact O-N 3.4Å
190K96Very high95.6Very high171 Ų171100.8 Ų100.874%0.74351%0.507SS*.Hα-helixtrans-77.6-28.5179.8-61.5-178179.7-179.80112.3V187 E188V187-K190 WeakPolarHBondContact O-CA 3.34Å; V187-K190 WeakPolarHBondContact O-CB 3.13Å; V187-K190 PolarHBondContact O-N 3.4Å; E188-K190 VanDerWaalsContact C-N 3.28Å; E188-K190 PolarHBondContact O-N 3.06Å
191I95.4Very high95.5Very high59 Ų59106.4 Ų106.430%0.30352%0.523SS..Hα-helixtrans-99.6-7-177.765.6171.7000113.5V187 E188 K193 Y194 T195V187-I191 HydrophobicContact CG2-CD1 4.21Å; V187-I191 HydrophobicContact CG2-CG1 4.46Å; V187-I191 HydrophobicContact CG2-CG2 4.02Å; V187-I191 PolarHBondContact O-N 3.09Å; V187-I191 VanDerWaalsContact O-N 3.17Å; E188-I191 WeakPolarHBondContact O-CG1 3.17Å; E188-I191 PolarHBondContact O-N 3.2Å; I191-K193 VanDerWaalsContact C-N 3.31Å; I191-K193 PolarHBondContact O-N 3.1Å; I191-Y194 PolarHBondContact O-N 2.94Å; I191-T195 PolarHBondContact O-N 3.05Å; I191-T195 PolarHBondContact O-OG1 3.37Å
192A94.3Very high95.3Very high37 Ų37102.6 Ų102.631%0.30652%0.523SS..Hα-helixtrans-47.5-48.8-175.400000113.2E188 Y194 T195 D196E188-A192 PolarHBondContact O-N 3.09Å; A192-Y194 VanDerWaalsContact C-N 3.25Å; A192-Y194 PolarHBondContact O-N 2.96Å; A192-T195 WeakPolarHBondContact O-CB 3.44Å; A192-T195 PolarHBondContact O-N 3.36Å; A192-D196 VanDerWaalsContact O-CG 3.29Å; A192-D196 PolarHBondContact O-N 3.46Å
193K95.6Very high95.1Very high164 Ų164102.8 Ų102.871%0.71353%0.528SS*.Hα-helixtrans-53.3-40177.6-176.5179.7179.1178.60113.1I191 V197I191-K193 VanDerWaalsContact C-N 3.31Å; I191-K193 PolarHBondContact O-N 3.1Å; K193-V197 WeakPolarHBondContact O-CG2 3.48Å
194Y94.9Very high94.7Very high164 Ų164104 Ų10464%0.64353%0.526SS*.Hα-helixtrans-78.6-37.3178.8-54-68.9000111.6I191 A192 D196 V197 L198I191-Y194 PolarHBondContact O-N 2.94Å; A192-Y194 VanDerWaalsContact C-N 3.25Å; A192-Y194 PolarHBondContact O-N 2.96Å; Y194-D196 VanDerWaalsContact C-N 3.33Å; Y194-D196 PolarHBondContact O-N 3.49Å; Y194-V197 PolarHBondContact O-N 3.38Å; Y194-L198 WeakPolarHBondContact O-CG 3.37Å; Y194-L198 PolarHBondContact O-N 2.79Å
195T94.1Very high93.9Very high31 Ų31108.4 Ų108.419%0.1956%0.56CS.*Hα-helixtrans-61.6-40.7176.3-54.40000111.5I191 A192 V197 L198 K199 L204I191-T195 PolarHBondContact O-N 3.05Å; I191-T195 PolarHBondContact O-OG1 3.37Å; A192-T195 WeakPolarHBondContact O-CB 3.44Å; A192-T195 PolarHBondContact O-N 3.36Å; T195-V197 PolarHBondContact O-N 3.09Å; T195-L198 WeakPolarHBondContact O-CB 3.27Å; T195-L198 PolarHBondContact O-N 3.38Å; T195-L198 VanDerWaalsContact O-N 3.16Å; T195-K199 HydrophobicContact CG2-CD 4.45Å; T195-K199 WeakPolarHBondContact O-CG 3.44Å; T195-K199 PolarHBondContact O-N 3.48Å; T195-L204 HydrophobicContact CG2-CD1 3.96Å
196D94.4Very high93.8Very high94 Ų94106.2 Ų106.250%0.50356%0.555SS.*Hα-helixtrans-64.7-40.4178.9-66.2-26.5000111.8A192 Y194 K199 Q200A192-D196 VanDerWaalsContact O-CG 3.29Å; A192-D196 PolarHBondContact O-N 3.46Å; Y194-D196 VanDerWaalsContact C-N 3.33Å; Y194-D196 PolarHBondContact O-N 3.49Å; D196-K199 PolarHBondContact O-N 3.18Å; D196-Q200 PolarHBondContact O-N 2.91Å
197V95.8Very high93.6Very high69 Ų69105.7 Ų105.742%0.41855%0.552SS.*Hα-helixtrans-61-46171.8176.70000110.3K193 Y194 T195 K199 Q200 Y201K193-V197 WeakPolarHBondContact O-CG2 3.48Å; Y194-V197 PolarHBondContact O-N 3.38Å; T195-V197 PolarHBondContact O-N 3.09Å; V197-K199 VanDerWaalsContact C-N 3.3Å; V197-K199 PolarHBondContact O-N 3.41Å; V197-Q200 WeakPolarHBondContact O-CB 3.3Å; V197-Q200 PolarHBondContact O-N 3.34Å; V197-Y201 HydrophobicContact CG1-CD2 3.86Å; V197-Y201 HydrophobicContact CG1-CE2 3.65Å; V197-Y201 WeakPolarHBondContact O-CD2 3.18Å; V197-Y201 PolarHBondContact O-N 2.86Å; V197-Y201 VanDerWaalsContact O-N 3.15Å
198L94.8Very high93.4Very high71 Ų71108.3 Ų108.337%0.37256%0.563SS.*Hα-helixtrans-63.1-34.6178-69.8172.7000112.8Y194 T195 Y201 G202 V203 L204Y194-L198 WeakPolarHBondContact O-CG 3.37Å; Y194-L198 PolarHBondContact O-N 2.79Å; T195-L198 WeakPolarHBondContact O-CB 3.27Å; T195-L198 PolarHBondContact O-N 3.38Å; T195-L198 VanDerWaalsContact O-N 3.16Å; L198-Y201 PolarHBondContact O-N 2.91Å; L198-G202 PolarHBondContact O-N 2.69Å; L198-V203 HydrophobicContact CB-CB 4.36Å; L198-V203 HydrophobicContact CD2-CB 4.18Å; L198-V203 HydrophobicContact CD2-CG1 4.21Å; L198-V203 HydrophobicContact CD2-CG2 4.37Å; L198-V203 PolarHBondContact O-N 3.37Å; L198-L204 HydrophobicContact CB-CB 4.47Å; L198-L204 HydrophobicContact CB-CD1 3.84Å; L198-L204 HydrophobicContact CB-CG 4.04Å; L198-L204 HydrophobicContact CD1-CD1 3.68Å; L198-L204 HydrophobicContact CD1-CG 4.33Å; L198-L204 HydrophobicContact CG-CD1 4.43Å
199K95.3Very high93.4Very high104 Ų104107.5 Ų107.545%0.45256%0.562SS.*Hα-helixtrans-68.4-41.1173.5-75.1175.9176.8174.20111.8T195 D196 V197 Y201 G202 L204T195-K199 HydrophobicContact CG2-CD 4.45Å; T195-K199 WeakPolarHBondContact O-CG 3.44Å; T195-K199 PolarHBondContact O-N 3.48Å; D196-K199 PolarHBondContact O-N 3.18Å; V197-K199 VanDerWaalsContact C-N 3.3Å; V197-K199 PolarHBondContact O-N 3.41Å; K199-Y201 PolarHBondContact O-N 3.21Å; K199-G202 WeakPolarHBondContact O-CA 3.03Å; K199-G202 PolarHBondContact O-N 3.24Å; K199-L204 HydrophobicContact CG-CB 4.26Å
200Q95.8Very high93.2Very high156 Ų156107.8 Ų107.873%0.72955%0.553SS**Hα-helixtrans-58.2-37.4175.4-171.7-178.44.400111.8D196 V197 G202D196-Q200 PolarHBondContact O-N 2.91Å; V197-Q200 WeakPolarHBondContact O-CB 3.3Å; V197-Q200 PolarHBondContact O-N 3.34Å; Q200-G202 VanDerWaalsContact C-N 3.31Å
201Y94.8Very high93Very high177 Ų177103.6 Ų103.669%0.69454%0.54SS*.THydrogen-bonded Turntrans-853174.5-68.5-70.6000114.2V197 L198 K199 V203V197-Y201 HydrophobicContact CG1-CD2 3.86Å; V197-Y201 HydrophobicContact CG1-CE2 3.65Å; V197-Y201 WeakPolarHBondContact O-CD2 3.18Å; V197-Y201 PolarHBondContact O-N 2.86Å; V197-Y201 VanDerWaalsContact O-N 3.15Å; L198-Y201 PolarHBondContact O-N 2.91Å; K199-Y201 PolarHBondContact O-N 3.21Å; Y201-V203 PolarHBondContact O-N 2.89Å
202G92.3Very high92.9Very high57 Ų57106.8 Ų106.859%0.58856%0.557SS**THydrogen-bonded Turntrans67.118.7178.700000115L198 K199 Q200L198-G202 PolarHBondContact O-N 2.69Å; K199-G202 WeakPolarHBondContact O-CA 3.03Å; K199-G202 PolarHBondContact O-N 3.24Å; Q200-G202 VanDerWaalsContact C-N 3.31Å
203V93.1Very high92.8Very high99 Ų99112.2 Ų112.260%0.658%0.576SS**SBendtrans-76.1-38178.8178.90000110.9L198 Y201L198-V203 HydrophobicContact CB-CB 4.36Å; L198-V203 HydrophobicContact CD2-CB 4.18Å; L198-V203 HydrophobicContact CD2-CG1 4.21Å; L198-V203 HydrophobicContact CD2-CG2 4.37Å; L198-V203 PolarHBondContact O-N 3.37Å; Y201-V203 PolarHBondContact O-N 2.89Å
204L87.3Confident92.5Very high75 Ų75107.8 Ų107.839%0.39357%0.565SS.*  trans-111.9135.4173-64176.3000108.2T195 L198 K199T195-L204 HydrophobicContact CG2-CD1 3.96Å; L198-L204 HydrophobicContact CB-CB 4.47Å; L198-L204 HydrophobicContact CB-CD1 3.84Å; L198-L204 HydrophobicContact CB-CG 4.04Å; L198-L204 HydrophobicContact CD1-CD1 3.68Å; L198-L204 HydrophobicContact CD1-CG 4.33Å; L198-L204 HydrophobicContact CG-CD1 4.43Å; K199-L204 HydrophobicContact CG-CB 4.26Å
205V77.9Confident92.3Very high197 Ų197102.7 Ų102.7100%1.19456%0.557SS**  trans-98.60170.9-176.60000108

Retrieved 205 of 205 residues in 565.2 ms (Link to these results)

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