A0A093HFI8_STRCA Loading...

Rho-related GTP-binding protein RhoH

AlphaFold DB , UniProt , Accession A0A093HFI8, Species STRCA (Struthio camelus australis), Gene n/a, Length 191 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
1M60.4Low90.7Very high143 Ų14336.6 Ų36.670%0.70420%0.199SC*.  0-143.30-167.5166.1-79.700103.8D3 V50M1-D3 PolarHBondContact N-OD1 2.96Å; M1-V50 HydrophobicContact CE-CG2 3.99Å; M1-V50 HydrophobicContact SD-CB 4.2Å; M1-V50 HydrophobicContact SD-CG1 4.03Å; M1-V50 HydrophobicContact SD-CG2 3.88Å
2L73.2Confident91.4Very high46 Ų4635.3 Ų35.324%0.24119%0.191CC..  trans-84.2116.8146.2-83.4-179.6000104.5I5 A174L2-I5 HydrophobicContact CB-CG1 4.25Å; L2-I5 HydrophobicContact CD1-CG1 4.15Å; L2-A174 HydrophobicContact CD1-CB 3.57Å; L2-A174 HydrophobicContact CD2-CB 4.38Å; L2-A174 HydrophobicContact CG-CB 3.81Å
3D84.3Confident91.7Very high113 Ų11336.3 Ų36.360%0.60420%0.203SC*.  trans-90.5-15.8-178.1-50.6-23.5000110.3M1 S53M1-D3 PolarHBondContact N-OD1 2.96Å; D3-S53 PolarHBondContact O-N 3.47Å
4S93.9Very high92Very high74 Ų7438.1 Ų38.152%0.51722%0.224SC..EExtended strand (participates in β ladder)trans-136.8151168.663.70000111.4S53S4-S53 CarbonylContact C-O 3.58Å; S4-S53 WeakPolarHBondContact CA-O 3.32Å
5I96.9Very high92.4Very high3 Ų335.6 Ų35.62%0.01521%0.21CC..EExtended strand (participates in β ladder)trans-135.5130.9177.3-66.8176.4000108.5L2 I52 S53 L54 G55 D77 V78 V167 A170 V171L2-I5 HydrophobicContact CB-CG1 4.25Å; L2-I5 HydrophobicContact CD1-CG1 4.15Å; I5-I52 HydrophobicContact CB-CG2 4.27Å; I5-I52 HydrophobicContact CD1-CD1 4.38Å; I5-I52 HydrophobicContact CD1-CG2 3.73Å; I5-I52 HydrophobicContact CG1-CG2 3.78Å; I5-S53 PolarHBondContact N-O 3.18Å; I5-L54 HydrophobicContact CB-CD1 4.15Å; I5-L54 HydrophobicContact CG2-CD1 3.92Å; I5-G55 PolarHBondContact O-N 2.88Å; I5-D77 WeakPolarHBondContact CA-OD2 3.45Å; I5-D77 HydrophobicContact CG2-CB 4.01Å; I5-V78 HydrophobicContact CG2-CG1 4.39Å; I5-V167 HydrophobicContact CD1-CB 4.25Å; I5-V167 HydrophobicContact CD1-CG1 3.77Å; I5-V167 HydrophobicContact CD1-CG2 4.41Å; I5-A170 HydrophobicContact CD1-CB 4.01Å; I5-A170 HydrophobicContact CG1-CB 4.41Å; I5-A170 HydrophobicContact CG2-CB 3.86Å; I5-V171 HydrophobicContact CD1-CG2 3.85Å
6K97.6Very high92.6Very high24 Ų2434.3 Ų34.310%0.10421%0.206CC..EExtended strand (participates in β ladder)trans-98.8113.8170.5174.4163.2176.2177.40110.8V8 W57 S72 Q74 D77 V78K6-V8 HydrophobicContact CG-CG2 4.28Å; K6-W57 HydrophobicContact CB-CE3 4.41Å; K6-W57 HydrophobicContact CB-CZ3 4Å; K6-W57 HydrophobicContact CD-CD2 3.98Å; K6-W57 HydrophobicContact CD-CE3 3.91Å; K6-W57 HydrophobicContact CD-CH2 3.92Å; K6-W57 HydrophobicContact CD-CZ2 3.98Å; K6-W57 HydrophobicContact CD-CZ3 3.82Å; K6-W57 VanDerWaalsContact CE-CD2 3.44Å; K6-W57 VanDerWaalsContact CE-CE2 3.43Å; K6-W57 HydrophobicContact CG-CD2 4.03Å; K6-W57 HydrophobicContact CG-CE3 3.54Å; K6-W57 HydrophobicContact CG-CH2 4.15Å; K6-W57 HydrophobicContact CG-CZ3 3.55Å; K6-S72 WeakPolarHBondContact CE-O 3.42Å; K6-S72 PolarHBondContact NZ-O 3.2Å; K6-Q74 WeakPolarHBondContact CE-O 3.5Å; K6-Q74 PolarHBondContact NZ-O 3.29Å; K6-D77 PolarHBondContact N-OD2 2.82Å; K6-D77 PolarHBondContact O-N 3.4Å; K6-V78 PolarHBondContact O-N 2.98Å
7C98.3Very high92.9Very high0 Ų032.8 Ų32.80%020%0.196CC..EExtended strand (participates in β ladder)trans-106.4122.1175.41780000110.3L54 G55 L56 W57 V78C7-L54 HydrophobicContact CB-CD1 3.86Å; C7-G55 PolarHBondContact N-O 3.41Å; C7-L56 HydrophobicContact CB-CD2 4.13Å; C7-L56 WeakPolarHBondContact O-CA 3.43Å; C7-W57 PolarHBondContact O-N 3.46Å; C7-V78 WeakPolarHBondContact CA-O 3.36Å; C7-V78 HydrophobicContact CB-CG1 3.86Å
8V98.4Very high93.1Very high0 Ų032.7 Ų32.70%020%0.196CC..EExtended strand (participates in β ladder)trans-107.7132.5178.9-175.30000110.4K6 V10 W57 T59 Y73 A76 V78 V79 L80K6-V8 HydrophobicContact CG-CG2 4.28Å; V8-V10 HydrophobicContact CG1-CG1 4.04Å; V8-W57 HydrophobicContact CB-CB 4.33Å; V8-W57 HydrophobicContact CG1-CB 4.22Å; V8-W57 HydrophobicContact CG2-CB 3.99Å; V8-W57 HydrophobicContact CG2-CG 4.47Å; V8-T59 HydrophobicContact CG1-CG2 3.82Å; V8-Y73 HydrophobicContact CG1-CD1 3.93Å; V8-Y73 HydrophobicContact CG1-CE1 4.02Å; V8-A76 HydrophobicContact CG2-CB 3.66Å; V8-V78 PolarHBondContact N-O 2.69Å; V8-V78 VanDerWaalsContact N-O 3.07Å; V8-V79 CarbonylContact O-C 3.55Å; V8-V79 WeakPolarHBondContact O-CA 3.36Å; V8-L80 PolarHBondContact O-N 2.66Å
9L98.4Very high93.2Very high0 Ų032.2 Ų32.20%019%0.194CC..EExtended strand (participates in β ladder)trans-100.9129.2174.5-73.572.7000110K17 L20 L21 W57 T59 L80L9-K17 HydrophobicContact CB-CB 4.35Å; L9-K17 HydrophobicContact CB-CD 4.25Å; L9-K17 HydrophobicContact CD2-CB 4.14Å; L9-L20 HydrophobicContact CD2-CD2 4.29Å; L9-L21 HydrophobicContact CD1-CD1 4.2Å; L9-L21 HydrophobicContact CD1-CD2 3.81Å; L9-L21 HydrophobicContact CD1-CG 4.24Å; L9-L21 HydrophobicContact CD2-CD1 3.89Å; L9-L21 HydrophobicContact CD2-CD2 3.98Å; L9-L21 HydrophobicContact CD2-CG 3.62Å; L9-W57 PolarHBondContact N-O 3.48Å; L9-T59 WeakPolarHBondContact O-CB 3.31Å; L9-T59 WeakPolarHBondContact O-CG2 3.31Å; L9-T59 PolarHBondContact O-OG1 3.37Å; L9-L80 WeakPolarHBondContact CA-O 3.38Å; L9-L80 HydrophobicContact CD1-CD1 4.08Å; L9-L80 HydrophobicContact CG-CB 4.08Å; L9-L80 HydrophobicContact CG-CD1 4.03Å; L9-L80 HydrophobicContact CG-CG 4.49Å
10V98.3Very high93.4Very high0 Ų030.7 Ų30.70%019%0.185CC..EExtended strand (participates in β ladder)trans-135.1160.3177.5-56.60000110.6V8 K17 Y73 V79 L80 M81 C82 W98 I102V8-V10 HydrophobicContact CG1-CG1 4.04Å; V10-K17 VanDerWaalsContact C-CD 3.48Å; V10-Y73 HydrophobicContact CG1-CE1 3.52Å; V10-Y73 WeakPolarHBondContact CG1-OH 3.12Å; V10-V79 HydrophobicContact CG1-CG1 4.32Å; V10-V79 HydrophobicContact CG2-CG1 3.64Å; V10-L80 PolarHBondContact N-O 3.36Å; V10-M81 HydrophobicContact CG2-CB 4.22Å; V10-M81 HydrophobicContact CG2-CG 4.24Å; V10-C82 PolarHBondContact O-N 3.08Å; V10-W98 HydrophobicContact CB-CE3 4.14Å; V10-W98 HydrophobicContact CB-CZ3 4.34Å; V10-W98 HydrophobicContact CG2-CE3 4.48Å; V10-I102 HydrophobicContact CG2-CD1 3.66Å; V10-I102 HydrophobicContact CG2-CG1 4.05Å
11G98.4Very high93.5Very high0 Ų029.6 Ų29.60%018%0.178CC..  trans141.7169.9-174.500000111K17 G61 C82 W98G11-K17 PolarHBondContact O-NZ 3.05Å; G11-G61 WeakPolarHBondContact O-CA 3.42Å; G11-C82 WeakPolarHBondContact CA-O 3.38Å; G11-W98 VanDerWaalsContact CA-CE2 3.48Å; G11-W98 VanDerWaalsContact O-CZ2 3.25Å; G11-W98 WeakPolarHBondContact O-CZ2 3.45Å
12D98.3Very high95.1Very high20 Ų2024.5 Ų24.511%0.10716%0.155CC..SBendtrans-57.5162.9-176.8-78.35.5000113.1V15 K17 S90 N93 W98D12-V15 HydrophobicContact CB-CG1 3.73Å; D12-V15 WeakPolarHBondContact O-CG2 3.41Å; D12-K17 PolarHBondContact O-NZ 3Å; D12-S90 WeakPolarHBondContact OD2-CA 3.38Å; D12-N93 PolarHBondContact OD2-ND2 3.42Å; D12-W98 PolarHBondContact OD1-NE1 3.26Å
13S96Very high96.1Very high49 Ų4924.1 Ų24.134%0.34315%0.15SC..THydrogen-bonded Turntrans-60.9150.1171.1-64.40000110.6V15 S62S13-V15 PolarHBondContact O-N 3.49Å; S13-S62 PolarHBondContact OG-N 2.85Å; S13-S62 VanDerWaalsContact OG-N 3.17Å
14A95.4Very high96.6Very high61 Ų6120.7 Ų20.750%0.50413%0.13SC..THydrogen-bonded Turntrans60.49.7177.700000116.9G16 Y33 Q117A14-G16 PolarHBondContact O-N 3.32Å; A14-Y33 HydrophobicContact CB-CE2 4.35Å; A14-Q117 PolarHBondContact O-NE2 2.8Å
15V97.7Very high96.5Very high1 Ų119.7 Ų19.71%0.00612%0.12CC..SBendtrans-77.69172.5-52.40000113.4D12 S13 K17 C82 T116D12-V15 HydrophobicContact CB-CG1 3.73Å; D12-V15 WeakPolarHBondContact O-CG2 3.41Å; S13-V15 PolarHBondContact O-N 3.49Å; V15-K17 HydrophobicContact CG2-CD 4.3Å; V15-K17 HydrophobicContact CG2-CG 3.74Å; V15-C82 HydrophobicContact CG2-CB 4.09Å; V15-T116 VanDerWaalsContact O-CB 3.29Å; V15-T116 WeakPolarHBondContact O-CB 3.44Å; V15-T116 PolarHBondContact O-OG1 2.75Å
16G96.5Very high96.1Very high14 Ų1422.3 Ų22.314%0.14414%0.139CC..SBendtrans79.524.217400000116.7A14 L20A14-G16 PolarHBondContact O-N 3.32Å; G16-L20 VanDerWaalsContact O-CB 3.3Å; G16-L20 WeakPolarHBondContact O-CB 3.35Å; G16-L20 PolarHBondContact O-N 3.49Å
17K97.4Very high95.5Very high10 Ų1028.7 Ų28.74%0.04317%0.169CC..Hα-helixtrans-59.3-51.2173.5-58.1-172.5-58.2-750111.9L9 V10 G11 D12 V15 L20 L21 D58 T59 C82L9-K17 HydrophobicContact CB-CB 4.35Å; L9-K17 HydrophobicContact CB-CD 4.25Å; L9-K17 HydrophobicContact CD2-CB 4.14Å; V10-K17 VanDerWaalsContact C-CD 3.48Å; G11-K17 PolarHBondContact O-NZ 3.05Å; D12-K17 PolarHBondContact O-NZ 3Å; V15-K17 HydrophobicContact CG2-CD 4.3Å; V15-K17 HydrophobicContact CG2-CG 3.74Å; K17-L20 WeakPolarHBondContact O-CB 3.27Å; K17-L20 PolarHBondContact O-N 3.04Å; K17-L21 PolarHBondContact O-N 3.37Å; K17-D58 WeakPolarHBondContact CB-OD1 3.3Å; K17-T59 WeakPolarHBondContact CE-O 3.45Å; K17-T59 PolarHBondContact NZ-O 3.4Å; K17-C82 HydrophobicContact CD-CB 4.39Å; K17-C82 HydrophobicContact CG-CB 3.95Å
18T95.7Very high94.9Very high31 Ų3132.2 Ų32.219%0.1919%0.191CC..Hα-helixtrans-62.8-44.5177.1-44.80000111.9L20 L21 V22 T36 D58T18-L20 VanDerWaalsContact C-N 3.29Å; T18-L20 PolarHBondContact O-N 3.2Å; T18-L21 PolarHBondContact O-N 3.28Å; T18-V22 HydrophobicContact CG2-CG2 4.32Å; T18-V22 WeakPolarHBondContact O-CB 3.38Å; T18-V22 WeakPolarHBondContact O-CG2 3.41Å; T18-V22 PolarHBondContact O-N 3.45Å; T18-T36 PolarHBondContact OG1-OG1 3.06Å; T18-D58 VanDerWaalsContact CA-OD2 3.28Å; T18-D58 WeakPolarHBondContact CA-OD2 3.26Å; T18-D58 VanDerWaalsContact CB-OD2 3.23Å; T18-D58 WeakPolarHBondContact CB-OD2 3.38Å; T18-D58 WeakPolarHBondContact CG2-OD2 3.46Å; T18-D58 PolarHBondContact OG1-OD2 3.2Å
19S96Very high94.2Very high23 Ų2335.8 Ų35.816%0.16121%0.207CC..Hα-helixtrans-61.6-37.7176.7-50.90000112.3R23 A153S19-R23 VanDerWaalsContact O-CB 3.23Å; S19-R23 WeakPolarHBondContact O-CB 3.42Å; S19-R23 PolarHBondContact O-N 3.27Å; S19-A153 WeakPolarHBondContact O-CB 2.87Å
20L96.9Very high93.4Very high1 Ų137.7 Ų37.71%0.00522%0.219CC..Hα-helixtrans-63.6-44.6174.717460.9000111.4L9 G16 K17 T18 F24 V114 C151 V159 V162 F163L9-L20 HydrophobicContact CD2-CD2 4.29Å; G16-L20 VanDerWaalsContact O-CB 3.3Å; G16-L20 WeakPolarHBondContact O-CB 3.35Å; G16-L20 PolarHBondContact O-N 3.49Å; K17-L20 WeakPolarHBondContact O-CB 3.27Å; K17-L20 PolarHBondContact O-N 3.04Å; T18-L20 VanDerWaalsContact C-N 3.29Å; T18-L20 PolarHBondContact O-N 3.2Å; L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 2.94Å; L20-V114 HydrophobicContact CD2-CG1 4.35Å; L20-C151 HydrophobicContact CD1-CB 4.46Å; L20-V159 HydrophobicContact CD1-CB 4.2Å; L20-V159 HydrophobicContact CD1-CG1 3.87Å; L20-V159 HydrophobicContact CD1-CG2 3.93Å; L20-V162 HydrophobicContact CD2-CG1 4.29Å; L20-F163 HydrophobicContact CD1-CE2 3.87Å; L20-F163 HydrophobicContact CD1-CZ 4.43Å; L20-F163 HydrophobicContact CD2-CE2 4.46Å; L20-F163 HydrophobicContact CD2-CZ 4.31Å; L20-F163 HydrophobicContact CG-CE2 3.86Å; L20-F163 HydrophobicContact CG-CZ 3.91Å
21L95.1Very high92.2Very high8 Ų846 Ų464%0.04226%0.263CS..Hα-helixtrans-64.4-53.5177.1-74.4172.6000112.1L9 K17 T18 R23 F24 T25 L56 D58 F163L9-L21 HydrophobicContact CD1-CD1 4.2Å; L9-L21 HydrophobicContact CD1-CD2 3.81Å; L9-L21 HydrophobicContact CD1-CG 4.24Å; L9-L21 HydrophobicContact CD2-CD1 3.89Å; L9-L21 HydrophobicContact CD2-CD2 3.98Å; L9-L21 HydrophobicContact CD2-CG 3.62Å; K17-L21 PolarHBondContact O-N 3.37Å; T18-L21 PolarHBondContact O-N 3.28Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.14Å; L21-F24 WeakPolarHBondContact O-CB 3.36Å; L21-F24 PolarHBondContact O-N 3.04Å; L21-T25 WeakPolarHBondContact O-CG2 3.5Å; L21-T25 PolarHBondContact O-N 3.1Å; L21-T25 PolarHBondContact O-OG1 3.34Å; L21-T25 VanDerWaalsContact O-OG1 3.08Å; L21-L56 HydrophobicContact CD2-CB 3.66Å; L21-L56 HydrophobicContact CD2-CD1 3.68Å; L21-L56 HydrophobicContact CD2-CD2 4Å; L21-L56 HydrophobicContact CD2-CG 3.98Å; L21-D58 HydrophobicContact CD1-CB 3.38Å; L21-F163 HydrophobicContact CD2-CE1 3.9Å; L21-F163 HydrophobicContact CD2-CZ 3.79Å
22V93.4Very high91.2Very high36 Ų3649.2 Ų49.222%0.21829%0.29CS..Hα-helixtrans-54.5-48.41781720000109.9T18 F24 T25 S26T18-V22 HydrophobicContact CG2-CG2 4.32Å; T18-V22 WeakPolarHBondContact O-CB 3.38Å; T18-V22 WeakPolarHBondContact O-CG2 3.41Å; T18-V22 PolarHBondContact O-N 3.45Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.17Å; V22-T25 PolarHBondContact O-N 3.01Å; V22-T25 VanDerWaalsContact O-N 3.16Å; V22-T25 PolarHBondContact O-OG1 3.48Å; V22-S26 WeakPolarHBondContact CG1-OG 3.36Å; V22-S26 PolarHBondContact O-N 3.05Å; V22-S26 PolarHBondContact O-OG 3.47Å
23R94.9Very high90Very high38 Ų3855.5 Ų55.514%0.14331%0.313CS..Hα-helixtrans-59.8-39.2178.9179.860.780.817814.1112.7S19 L21 E27 T28 A153 L154 N156 V159S19-R23 VanDerWaalsContact O-CB 3.23Å; S19-R23 WeakPolarHBondContact O-CB 3.42Å; S19-R23 PolarHBondContact O-N 3.27Å; L21-R23 VanDerWaalsContact C-N 3.28Å; L21-R23 PolarHBondContact O-N 3.14Å; R23-E27 PolarHBondContact NH1-O 3.35Å; R23-E27 WeakPolarHBondContact O-CA 3.26Å; R23-E27 PolarHBondContact O-N 3.19Å; R23-T28 VanDerWaalsContact CA-O 3.23Å; R23-T28 WeakPolarHBondContact CA-O 3.42Å; R23-T28 PolarHBondContact NE-O 3.1Å; R23-T28 VanDerWaalsContact NH1-C 3.32Å; R23-A153 HydrophobicContact CB-CB 4.08Å; R23-A153 PolarHBondContact NE-O 3.18Å; R23-A153 PolarHBondContact NH2-O 3.3Å; R23-L154 PolarHBondContact NH2-O 3Å; R23-N156 HydrophobicContact CG-CB 4.42Å; R23-N156 WeakPolarHBondContact CG-OD1 3.47Å; R23-V159 HydrophobicContact CB-CG1 4.43Å; R23-V159 HydrophobicContact CG-CB 4.45Å; R23-V159 HydrophobicContact CG-CG1 4.12Å; R23-V159 HydrophobicContact CG-CG2 3.98Å
24F95Very high89Confident42 Ų4263 Ų6318%0.18433%0.334CS..Hα-helixtrans-68.8-38.2178176.8-116000112.8L20 L21 V22 V43 V45 L54 L56 V159 F163L20-F24 WeakPolarHBondContact O-CB 3.44Å; L20-F24 PolarHBondContact O-N 2.94Å; L21-F24 WeakPolarHBondContact O-CB 3.36Å; L21-F24 PolarHBondContact O-N 3.04Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.17Å; F24-V43 HydrophobicContact CE1-CG2 3.7Å; F24-V43 HydrophobicContact CZ-CG2 4.36Å; F24-V45 HydrophobicContact CZ-CG1 4.02Å; F24-L54 HydrophobicContact CE1-CD2 3.98Å; F24-L54 HydrophobicContact CZ-CD2 4.23Å; F24-L56 HydrophobicContact CD1-CD1 3.83Å; F24-L56 HydrophobicContact CE1-CD1 4.03Å; F24-V159 HydrophobicContact CB-CG1 3.73Å; F24-V159 HydrophobicContact CD2-CG1 4.36Å; F24-F163 HydrophobicContact CB-CD2 3.74Å; F24-F163 HydrophobicContact CB-CE2 3.4Å; F24-F163 VanDerWaalsContact CB-CE2 3.4Å; F24-F163 HydrophobicContact CB-CZ 4.13Å; F24-F163 HydrophobicContact CD1-CB 4.47Å; F24-F163 HydrophobicContact CD1-CD1 4.09Å; F24-F163 AromaticContact CD1-CD2 3.64Å; F24-F163 HydrophobicContact CD1-CD2 3.64Å; F24-F163 HydrophobicContact CD1-CE1 4.25Å; F24-F163 AromaticContact CD1-CE2 3.83Å; F24-F163 HydrophobicContact CD1-CE2 3.83Å; F24-F163 AromaticContact CD1-CG 3.79Å; F24-F163 HydrophobicContact CD1-CG 3.79Å; F24-F163 HydrophobicContact CD1-CZ 4.12Å; F24-F163 HydrophobicContact CD2-CB 4.19Å; F24-F163 AromaticContact CD2-CD2 3.36Å; F24-F163 HydrophobicContact CD2-CD2 3.36Å; F24-F163 HydrophobicContact CD2-CE2 4Å; F24-F163 AromaticContact CD2-CG 3.95Å; F24-F163 HydrophobicContact CD2-CG 3.95Å; F24-F163 HydrophobicContact CE1-CB 4Å; F24-F163 HydrophobicContact CE1-CD1 4.07Å; F24-F163 HydrophobicContact CE1-CD2 4.04Å; F24-F163 AromaticContact CE1-CG 3.75Å; F24-F163 HydrophobicContact CE1-CG 3.75Å; F24-F163 HydrophobicContact CE2-CB 3.7Å; F24-F163 AromaticContact CE2-CD2 3.81Å; F24-F163 HydrophobicContact CE2-CD2 3.81Å; F24-F163 AromaticContact CE2-CG 3.93Å; F24-F163 HydrophobicContact CE2-CG 3.93Å; F24-F163 AromaticContact CG-CD2 3.27Å; F24-F163 HydrophobicContact CG-CD2 3.27Å; F24-F163 AromaticContact CG-CE2 3.47Å; F24-F163 HydrophobicContact CG-CE2 3.47Å; F24-F163 VanDerWaalsContact CG-CE2 3.47Å; F24-F163 AromaticContact CG-CG 3.88Å; F24-F163 HydrophobicContact CG-CG 3.88Å; F24-F163 HydrophobicContact CG-CZ 4.19Å; F24-F163 HydrophobicContact CZ-CB 3.59Å; F24-F163 HydrophobicContact CZ-CD2 4.12Å; F24-F163 AromaticContact CZ-CG 3.83Å; F24-F163 HydrophobicContact CZ-CG 3.83Å
25T91.9Very high88.1Confident52 Ų5264.8 Ų64.832%0.31934%0.341SS..Hα-helixtrans-91.1-29.7-17257.30000114.3L21 V22 T41 V43 L56L21-T25 WeakPolarHBondContact O-CG2 3.5Å; L21-T25 PolarHBondContact O-N 3.1Å; L21-T25 PolarHBondContact O-OG1 3.34Å; L21-T25 VanDerWaalsContact O-OG1 3.08Å; V22-T25 PolarHBondContact O-N 3.01Å; V22-T25 VanDerWaalsContact O-N 3.16Å; V22-T25 PolarHBondContact O-OG1 3.48Å; T25-T41 HydrophobicContact CG2-CG2 3.97Å; T25-V43 HydrophobicContact CG2-CG1 3.75Å; T25-L56 HydrophobicContact CG2-CD1 3.66Å
26S88.9Confident87.2Confident58 Ų5865.8 Ų65.841%0.40635%0.347SS..Hα-helixtrans-121.40.3-17563.20000114.1V22 T28V22-S26 WeakPolarHBondContact CG1-OG 3.36Å; V22-S26 PolarHBondContact O-N 3.05Å; V22-S26 PolarHBondContact O-OG 3.47Å; S26-T28 PolarHBondContact O-N 3.47Å; S26-T28 PolarHBondContact OG-OG1 2.95Å
27E84.6Confident86Confident158 Ų15869.5 Ų69.574%0.73837%0.367SS*.SBendtrans5515.8-174.4-57.1-170.7165.700114.2R23R23-E27 PolarHBondContact NH1-O 3.35Å; R23-E27 WeakPolarHBondContact O-CA 3.26Å; R23-E27 PolarHBondContact O-N 3.19Å
28T86.2Confident84.2Confident75 Ų7574.2 Ų74.246%0.4639%0.385SS..  trans-112.2164.5178.257.90000111.7R23 S26R23-T28 VanDerWaalsContact CA-O 3.23Å; R23-T28 WeakPolarHBondContact CA-O 3.42Å; R23-T28 PolarHBondContact NE-O 3.1Å; R23-T28 VanDerWaalsContact NH1-C 3.32Å; S26-T28 PolarHBondContact O-N 3.47Å; S26-T28 PolarHBondContact OG-OG1 2.95Å
29F83.4Confident83.4Confident75 Ų7577.6 Ų77.633%0.32940%0.398SS..  trans-112.1136.9169.5-171.4-97.7000108.9D31 A153 L154F29-D31 PolarHBondContact O-N 3.35Å; F29-A153 HydrophobicContact CD2-CB 4.07Å; F29-A153 WeakPolarHBondContact CD2-O 3.49Å; F29-A153 HydrophobicContact CE2-CB 3.94Å; F29-L154 HydrophobicContact CD1-CD1 4.08Å; F29-L154 HydrophobicContact CD2-CB 4.41Å; F29-L154 HydrophobicContact CD2-CD1 4.48Å; F29-L154 HydrophobicContact CE1-CD1 4.08Å; F29-L154 HydrophobicContact CE2-CB 4.07Å; F29-L154 HydrophobicContact CE2-CD1 4.46Å; F29-L154 HydrophobicContact CG-CD1 4.28Å; F29-L154 HydrophobicContact CZ-CB 4.38Å; F29-L154 HydrophobicContact CZ-CD1 4.26Å
30P80.8Confident82.8Confident39 Ų3980 Ų8025%0.25341%0.409SS..  trans-67127.6-178.324.9-32.4000111.5A32P30-A32 PolarHBondContact O-N 2.94Å
31D74.4Confident82.4Confident174 Ų17482.1 Ų82.193%0.9342%0.422SS*.SBendtrans-67.7-23.2-178.6-61.1-46.9000113.5F29F29-D31 PolarHBondContact O-N 3.35Å
32A77.2Confident82.2Confident68 Ų6884.5 Ų84.556%0.56245%0.449SS*.SBendtrans-138.5142.1-179.500000111.8P30 R34P30-A32 PolarHBondContact O-N 2.94Å; A32-R34 PolarHBondContact O-N 3.46Å
33Y73.6Confident82.2Confident152 Ų15284.4 Ų84.460%0.59645%0.449SS*.  trans-70.5121.3172.7178.3-107000110.6A14 P35A14-Y33 HydrophobicContact CB-CE2 4.35Å; Y33-P35 HydrophobicContact CD1-CG 4.47Å; Y33-P35 HydrophobicContact CE1-CB 4.5Å; Y33-P35 HydrophobicContact CE1-CG 3.86Å
34R74.8Confident82.1Confident207 Ų20787 Ų8778%0.78147%0.465SS*.  trans-118.5120.7171-61-172.579.8177.23.8108.9A32 T36A32-R34 PolarHBondContact O-N 3.46Å; R34-T36 PolarHBondContact O-N 3.15Å
35P76.6Confident82Confident99 Ų9986.2 Ų86.264%0.64346%0.464SS*.  trans-59.7125.1177.6-23.532.4000112Y33Y33-P35 HydrophobicContact CD1-CG 4.47Å; Y33-P35 HydrophobicContact CE1-CB 4.5Å; Y33-P35 HydrophobicContact CE1-CG 3.86Å
36T78.3Confident81.8Confident22 Ų2291 Ų9114%0.13548%0.48CS..  trans-75.5129.9178.6-32.80000110.5T18 R34 D58 S60T18-T36 PolarHBondContact OG1-OG1 3.06Å; R34-T36 PolarHBondContact O-N 3.15Å; T36-D58 HydrophobicContact CG2-CB 4.21Å; T36-D58 WeakPolarHBondContact CG2-OD2 3.31Å; T36-S60 WeakPolarHBondContact O-CB 3.15Å; T36-S60 PolarHBondContact O-OG 3.33Å
37V70.3Confident81.6Confident92 Ų9289.1 Ų89.156%0.55847%0.465SS*.SBendtrans-90.1-57.6163179.80000108.2F65V37-F65 HydrophobicContact CB-CZ 4.4Å; V37-F65 HydrophobicContact CG1-CE1 3.8Å; V37-F65 HydrophobicContact CG1-CZ 3.98Å; V37-F65 HydrophobicContact CG2-CZ 4.07Å
38Y61.3Low81.6Confident108 Ų10888.2 Ų88.242%0.42447%0.466SS..EExtended strand (participates in β ladder)trans-170.9138.5177.3174.8-110.8000109.4N40 W57 S72Y38-N40 VanDerWaalsContact CE2-OD1 3.3Å; Y38-N40 WeakPolarHBondContact CE2-OD1 3.48Å; Y38-N40 VanDerWaalsContact CZ-CG 3.45Å; Y38-N40 VanDerWaalsContact CZ-ND2 3.29Å; Y38-N40 PolarHBondContact OH-ND2 3.19Å; Y38-N40 PolarHBondContact OH-OD1 2.99Å; Y38-W57 AromaticContact CE2-CD1 3.69Å; Y38-W57 AromaticContact CZ-CD1 3.83Å; Y38-W57 AromaticContact CZ-NE1 3.99Å; Y38-W57 VanDerWaalsContact OH-CD1 3.27Å; Y38-W57 PolarHBondContact OH-NE1 3.37Å; Y38-S72 WeakPolarHBondContact CE2-OG 3.46Å
39E77.9Confident81.5Confident102 Ų10288.3 Ų88.348%0.47748%0.482SS..EExtended strand (participates in β ladder)trans-146.1134.7174.5-166.8166.7178.200110.4D58E39-D58 HydrophobicContact CB-CB 4.26Å; E39-D58 PolarHBondContact N-O 3.37Å; E39-D58 PolarHBondContact O-N 3.08Å
40N83.8Confident81.7Confident73 Ų7386.7 Ų86.739%0.3948%0.478SS..EExtended strand (participates in β ladder)trans-117.6129.1176.1-72.3-7.9000109.9Y38 L56 W57Y38-N40 VanDerWaalsContact CE2-OD1 3.3Å; Y38-N40 WeakPolarHBondContact CE2-OD1 3.48Å; Y38-N40 VanDerWaalsContact CZ-CG 3.45Å; Y38-N40 VanDerWaalsContact CZ-ND2 3.29Å; Y38-N40 PolarHBondContact OH-ND2 3.19Å; Y38-N40 PolarHBondContact OH-OD1 2.99Å; N40-L56 VanDerWaalsContact CA-O 3.3Å; N40-L56 WeakPolarHBondContact CA-O 3.48Å; N40-W57 PolarHBondContact ND2-NE1 3.13Å; N40-W57 VanDerWaalsContact OD1-CG 3.3Å; N40-W57 PolarHBondContact OD1-NE1 3.38Å
41T89.1Confident82.2Confident46 Ų4689.5 Ų89.528%0.28249%0.488SS..EExtended strand (participates in β ladder)trans-130.9135.6177.7-47.40000109.2T25 L56T25-T41 HydrophobicContact CG2-CG2 3.97Å; T41-L56 PolarHBondContact N-O 3.28Å; T41-L56 WeakPolarHBondContact O-CB 3.33Å; T41-L56 PolarHBondContact O-N 2.98Å
42G90Very high83.1Confident58 Ų5881.3 Ų81.360%0.59844%0.444SS*.EExtended strand (participates in β ladder)trans-106.8135.2172.200000110.2
43V93.2Very high84Confident35 Ų3580.6 Ų80.621%0.21244%0.435CS..EExtended strand (participates in β ladder)trans-136148.3170.2-63.90000110F24 T25 V45 L54 L56F24-V43 HydrophobicContact CE1-CG2 3.7Å; F24-V43 HydrophobicContact CZ-CG2 4.36Å; T25-V43 HydrophobicContact CG2-CG1 3.75Å; V43-V45 HydrophobicContact CG2-CG1 4.21Å; V43-L54 HydrophobicContact CG2-CB 4.26Å; V43-L54 HydrophobicContact CG2-CD2 4.47Å; V43-L54 PolarHBondContact N-O 3.44Å; V43-L54 WeakPolarHBondContact O-CA 3.36Å; V43-L54 PolarHBondContact O-N 2.98Å; V43-L56 HydrophobicContact CG2-CD1 4.22Å
44D93.2Very high85.1Confident92 Ų9273.4 Ų73.449%0.49241%0.406SS..EExtended strand (participates in β ladder)trans-89.7129.7172-71.5-24.7000109.9Q51D44-Q51 HydrophobicContact CB-CG 4.19Å; D44-Q51 VanDerWaalsContact CG-NE2 3.33Å; D44-Q51 PolarHBondContact OD2-NE2 3.45Å
45V92.4Very high86.2Confident26 Ų2664 Ų6416%0.15838%0.375CS..EExtended strand (participates in β ladder)trans-120.2144176.7-60.30000110F24 V43 Q51 I52 L54 V167F24-V45 HydrophobicContact CZ-CG1 4.02Å; V43-V45 HydrophobicContact CG2-CG1 4.21Å; V45-Q51 WeakPolarHBondContact O-CA 3.36Å; V45-I52 HydrophobicContact CG2-CB 4.04Å; V45-I52 PolarHBondContact N-O 2.92Å; V45-I52 PolarHBondContact O-N 2.72Å; V45-L54 HydrophobicContact CG1-CB 4.26Å; V45-L54 HydrophobicContact CG1-CD2 4.08Å; V45-L54 HydrophobicContact CG2-CB 4.1Å; V45-V167 HydrophobicContact CG2-CG2 4.1Å
46F89.1Confident87.1Confident151 Ų15159.3 Ų59.366%0.66234%0.344SS*.EExtended strand (participates in β ladder)trans-103.3122.2175.2-72.9-94000109.7V50 Q51F46-V50 WeakPolarHBondContact CA-O 3.37Å; F46-Q51 HydrophobicContact CD1-CB 4.08Å; F46-Q51 HydrophobicContact CE1-CB 3.65Å; F46-Q51 HydrophobicContact CE1-CG 4.07Å; F46-Q51 HydrophobicContact CE2-CG 4.25Å; F46-Q51 HydrophobicContact CZ-CB 3.97Å; F46-Q51 HydrophobicContact CZ-CG 3.85Å
47M84.1Confident88Confident19 Ų1960.7 Ų60.79%0.09435%0.347CS..EExtended strand (participates in β ladder)trans-132.7126.4175.9-174.6169-67.200110.1G49 V50 I52 E164 V167 R168M47-G49 PolarHBondContact O-N 2.86Å; M47-G49 VanDerWaalsContact O-N 3.15Å; M47-V50 PolarHBondContact N-O 2.78Å; M47-V50 PolarHBondContact O-N 2.94Å; M47-I52 HydrophobicContact CB-CD1 4.24Å; M47-E164 HydrophobicContact CE-CB 4.4Å; M47-E164 HydrophobicContact CE-CG 3.61Å; M47-E164 VanDerWaalsContact CE-O 3.31Å; M47-E164 WeakPolarHBondContact CE-O 3.23Å; M47-V167 HydrophobicContact CB-CG1 4.41Å; M47-V167 HydrophobicContact CE-CB 3.61Å; M47-V167 HydrophobicContact CE-CG1 3.41Å; M47-V167 VanDerWaalsContact CE-CG1 3.41Å; M47-V167 HydrophobicContact SD-CB 4.29Å; M47-V167 HydrophobicContact SD-CG1 3.6Å; M47-V167 VanDerWaalsContact SD-CG1 3.6Å; M47-R168 HydrophobicContact CE-CB 4.26Å; M47-R168 HydrophobicContact SD-CB 3.91Å
48D84.2Confident89.2Confident139 Ų13956.3 Ų56.374%0.74332%0.32SS*.THydrogen-bonded Turntrans5136.9-179.8-54.5-27.1000113.1V50D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.15Å
49G84.4Confident90.8Very high77 Ų7751.3 Ų51.379%0.79430%0.301SS*.THydrogen-bonded Turntrans805.2-179.100000115.4M47M47-G49 PolarHBondContact O-N 2.86Å; M47-G49 VanDerWaalsContact O-N 3.15Å
50V87.1Confident91.5Very high42 Ų4247 Ų4726%0.25528%0.282SS..EExtended strand (participates in β ladder)trans-111.2130.3179-178.40000110.1M1 F46 M47 D48 I52M1-V50 HydrophobicContact CE-CG2 3.99Å; M1-V50 HydrophobicContact SD-CB 4.2Å; M1-V50 HydrophobicContact SD-CG1 4.03Å; M1-V50 HydrophobicContact SD-CG2 3.88Å; F46-V50 WeakPolarHBondContact CA-O 3.37Å; M47-V50 PolarHBondContact N-O 2.78Å; M47-V50 PolarHBondContact O-N 2.94Å; D48-V50 VanDerWaalsContact C-N 3.32Å; D48-V50 PolarHBondContact O-N 3.15Å; V50-I52 HydrophobicContact CG1-CG1 4.35Å
51Q91.6Very high91.9Very high97 Ų9743.7 Ų43.745%0.45327%0.265SS..EExtended strand (participates in β ladder)trans-76.8130.1170.2-171.6175.2-13.600109.5D44 V45 F46D44-Q51 HydrophobicContact CB-CG 4.19Å; D44-Q51 VanDerWaalsContact CG-NE2 3.33Å; D44-Q51 PolarHBondContact OD2-NE2 3.45Å; V45-Q51 WeakPolarHBondContact O-CA 3.36Å; F46-Q51 HydrophobicContact CD1-CB 4.08Å; F46-Q51 HydrophobicContact CE1-CB 3.65Å; F46-Q51 HydrophobicContact CE1-CG 4.07Å; F46-Q51 HydrophobicContact CE2-CG 4.25Å; F46-Q51 HydrophobicContact CZ-CB 3.97Å; F46-Q51 HydrophobicContact CZ-CG 3.85Å
52I94.3Very high92Very high2 Ų243.4 Ų43.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-126.6128.5179-60.4172.6000107.6I5 V45 M47 V50 L54 V167 V171I5-I52 HydrophobicContact CB-CG2 4.27Å; I5-I52 HydrophobicContact CD1-CD1 4.38Å; I5-I52 HydrophobicContact CD1-CG2 3.73Å; I5-I52 HydrophobicContact CG1-CG2 3.78Å; V45-I52 HydrophobicContact CG2-CB 4.04Å; V45-I52 PolarHBondContact N-O 2.92Å; V45-I52 PolarHBondContact O-N 2.72Å; M47-I52 HydrophobicContact CB-CD1 4.24Å; V50-I52 HydrophobicContact CG1-CG1 4.35Å; I52-L54 PolarHBondContact O-N 2.96Å; I52-V167 HydrophobicContact CD1-CG1 3.69Å; I52-V171 HydrophobicContact CD1-CG2 4.13Å
53S95.6Very high92.2Very high53 Ų5345.4 Ų45.437%0.37126%0.262SS..EExtended strand (participates in β ladder)trans-77.9106.6171.6-168.30000109.6D3 S4 I5D3-S53 PolarHBondContact O-N 3.47Å; S4-S53 CarbonylContact C-O 3.58Å; S4-S53 WeakPolarHBondContact CA-O 3.32Å; I5-S53 PolarHBondContact N-O 3.18Å
54L96.6Very high92.2Very high1 Ų147.9 Ų47.91%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-95.4106.5179.4178.561.1000109.4I5 C7 F24 V43 V45 I52 L56 F163 V167I5-L54 HydrophobicContact CB-CD1 4.15Å; I5-L54 HydrophobicContact CG2-CD1 3.92Å; C7-L54 HydrophobicContact CB-CD1 3.86Å; F24-L54 HydrophobicContact CE1-CD2 3.98Å; F24-L54 HydrophobicContact CZ-CD2 4.23Å; V43-L54 HydrophobicContact CG2-CB 4.26Å; V43-L54 HydrophobicContact CG2-CD2 4.47Å; V43-L54 PolarHBondContact N-O 3.44Å; V43-L54 WeakPolarHBondContact O-CA 3.36Å; V43-L54 PolarHBondContact O-N 2.98Å; V45-L54 HydrophobicContact CG1-CB 4.26Å; V45-L54 HydrophobicContact CG1-CD2 4.08Å; V45-L54 HydrophobicContact CG2-CB 4.1Å; I52-L54 PolarHBondContact O-N 2.96Å; L54-L56 HydrophobicContact CD1-CD2 4.23Å; L54-L56 HydrophobicContact CD2-CD2 3.9Å; L54-L56 HydrophobicContact CG-CD2 3.78Å; L54-L56 HydrophobicContact CG-CG 4.3Å; L54-F163 HydrophobicContact CD2-CB 4.41Å; L54-F163 HydrophobicContact CD2-CD1 4.36Å; L54-V167 HydrophobicContact CD1-CG2 4.07Å; L54-V167 HydrophobicContact CD2-CG2 3.93Å; L54-V167 HydrophobicContact CG-CG2 4.5Å
55G97.2Very high92.1Very high11 Ų1146.3 Ų46.311%0.11328%0.275CS..EExtended strand (participates in β ladder)trans-89.9133.5169.600000111I5 C7 W57I5-G55 PolarHBondContact O-N 2.88Å; C7-G55 PolarHBondContact N-O 3.41Å; G55-W57 VanDerWaalsContact C-CE3 3.41Å; G55-W57 VanDerWaalsContact CA-CZ3 3.45Å; G55-W57 WeakPolarHBondContact O-CZ3 3.2Å
56L96.8Very high92.1Very high0 Ų050.9 Ų50.90%029%0.293CS..EExtended strand (participates in β ladder)trans-115.6122.5-173.5-58170.6000109C7 L21 F24 T25 N40 T41 V43 L54 F163C7-L56 HydrophobicContact CB-CD2 4.13Å; C7-L56 WeakPolarHBondContact O-CA 3.43Å; L21-L56 HydrophobicContact CD2-CB 3.66Å; L21-L56 HydrophobicContact CD2-CD1 3.68Å; L21-L56 HydrophobicContact CD2-CD2 4Å; L21-L56 HydrophobicContact CD2-CG 3.98Å; F24-L56 HydrophobicContact CD1-CD1 3.83Å; F24-L56 HydrophobicContact CE1-CD1 4.03Å; T25-L56 HydrophobicContact CG2-CD1 3.66Å; N40-L56 VanDerWaalsContact CA-O 3.3Å; N40-L56 WeakPolarHBondContact CA-O 3.48Å; T41-L56 PolarHBondContact N-O 3.28Å; T41-L56 WeakPolarHBondContact O-CB 3.33Å; T41-L56 PolarHBondContact O-N 2.98Å; V43-L56 HydrophobicContact CG2-CD1 4.22Å; L54-L56 HydrophobicContact CD1-CD2 4.23Å; L54-L56 HydrophobicContact CD2-CD2 3.9Å; L54-L56 HydrophobicContact CG-CD2 3.78Å; L54-L56 HydrophobicContact CG-CG 4.3Å; L56-F163 HydrophobicContact CD2-CD1 3.82Å; L56-F163 HydrophobicContact CD2-CE1 3.63Å
57W96.7Very high92.3Very high50 Ų5047.2 Ų47.219%0.18930%0.297CS..EExtended strand (participates in β ladder)trans-110.4106178.8-85-114.4000109.3K6 C7 V8 L9 Y38 N40 G55K6-W57 HydrophobicContact CB-CE3 4.41Å; K6-W57 HydrophobicContact CB-CZ3 4Å; K6-W57 HydrophobicContact CD-CD2 3.98Å; K6-W57 HydrophobicContact CD-CE3 3.91Å; K6-W57 HydrophobicContact CD-CH2 3.92Å; K6-W57 HydrophobicContact CD-CZ2 3.98Å; K6-W57 HydrophobicContact CD-CZ3 3.82Å; K6-W57 VanDerWaalsContact CE-CD2 3.44Å; K6-W57 VanDerWaalsContact CE-CE2 3.43Å; K6-W57 HydrophobicContact CG-CD2 4.03Å; K6-W57 HydrophobicContact CG-CE3 3.54Å; K6-W57 HydrophobicContact CG-CH2 4.15Å; K6-W57 HydrophobicContact CG-CZ3 3.55Å; C7-W57 PolarHBondContact O-N 3.46Å; V8-W57 HydrophobicContact CB-CB 4.33Å; V8-W57 HydrophobicContact CG1-CB 4.22Å; V8-W57 HydrophobicContact CG2-CB 3.99Å; V8-W57 HydrophobicContact CG2-CG 4.47Å; L9-W57 PolarHBondContact N-O 3.48Å; Y38-W57 AromaticContact CE2-CD1 3.69Å; Y38-W57 AromaticContact CZ-CD1 3.83Å; Y38-W57 AromaticContact CZ-NE1 3.99Å; Y38-W57 VanDerWaalsContact OH-CD1 3.27Å; Y38-W57 PolarHBondContact OH-NE1 3.37Å; N40-W57 PolarHBondContact ND2-NE1 3.13Å; N40-W57 VanDerWaalsContact OD1-CG 3.3Å; N40-W57 PolarHBondContact OD1-NE1 3.38Å; G55-W57 VanDerWaalsContact C-CE3 3.41Å; G55-W57 VanDerWaalsContact CA-CZ3 3.45Å; G55-W57 WeakPolarHBondContact O-CZ3 3.2Å
58D95.1Very high92.7Very high1 Ų150.8 Ų50.81%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-81.9130.4170.5-158.46.2000110.3K17 T18 L21 T36 E39K17-D58 WeakPolarHBondContact CB-OD1 3.3Å; T18-D58 VanDerWaalsContact CA-OD2 3.28Å; T18-D58 WeakPolarHBondContact CA-OD2 3.26Å; T18-D58 VanDerWaalsContact CB-OD2 3.23Å; T18-D58 WeakPolarHBondContact CB-OD2 3.38Å; T18-D58 WeakPolarHBondContact CG2-OD2 3.46Å; T18-D58 PolarHBondContact OG1-OD2 3.2Å; L21-D58 HydrophobicContact CD1-CB 3.38Å; T36-D58 HydrophobicContact CG2-CB 4.21Å; T36-D58 WeakPolarHBondContact CG2-OD2 3.31Å; E39-D58 HydrophobicContact CB-CB 4.26Å; E39-D58 PolarHBondContact N-O 3.37Å; E39-D58 PolarHBondContact O-N 3.08Å
59T95.1Very high93.2Very high2 Ų244.5 Ų44.51%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-119.4142.7180730000111.5V8 L9 K17 G61 R69V8-T59 HydrophobicContact CG1-CG2 3.82Å; L9-T59 WeakPolarHBondContact O-CB 3.31Å; L9-T59 WeakPolarHBondContact O-CG2 3.31Å; L9-T59 PolarHBondContact O-OG1 3.37Å; K17-T59 WeakPolarHBondContact CE-O 3.45Å; K17-T59 PolarHBondContact NZ-O 3.4Å; T59-G61 PolarHBondContact O-N 3.32Å; T59-R69 HydrophobicContact CG2-CG 4.28Å
60S92.4Very high93.7Very high11 Ų1142 Ų428%0.07725%0.252CS..  trans-64.8135.7171.7-162.30000110.9T36 S62 F65 R69T36-S60 WeakPolarHBondContact O-CB 3.15Å; T36-S60 PolarHBondContact O-OG 3.33Å; S60-S62 VanDerWaalsContact C-N 3.29Å; S60-F65 VanDerWaalsContact CB-CD2 3.43Å; S60-F65 VanDerWaalsContact OG-CD2 3.29Å; S60-F65 WeakPolarHBondContact OG-CD2 3.31Å; S60-R69 WeakPolarHBondContact O-CD 3.45Å; S60-R69 PolarHBondContact O-NH1 3.23Å
61G91.5Very high94Very high4 Ų445.6 Ų45.64%0.04127%0.269CS..  trans-81.8-8.3173.900000114.1G11 T59G11-G61 WeakPolarHBondContact O-CA 3.42Å; T59-G61 PolarHBondContact O-N 3.32Å
62S92.6Very high94.2Very high40 Ų4041.4 Ų41.428%0.2825%0.25SS..SBendtrans-69.6142.7-177.1175.70000111.6S13 S60 A64 F65 R69S13-S62 PolarHBondContact OG-N 2.85Å; S13-S62 VanDerWaalsContact OG-N 3.17Å; S60-S62 VanDerWaalsContact C-N 3.29Å; S62-A64 PolarHBondContact O-N 3.33Å; S62-A64 WeakPolarHBondContact OG-CB 3.29Å; S62-A64 PolarHBondContact OG-N 2.99Å; S62-F65 PolarHBondContact O-N 2.94Å; S62-R69 PolarHBondContact O-NH1 3.38Å
63D92.8Very high94.3Very high100 Ų10041.5 Ų41.554%0.53525%0.25SS..G310 helixtrans-67.8-21.3174.3-74.2-43.8000112.6F65 K66 K97D63-F65 PolarHBondContact O-N 3.31Å; D63-F65 VanDerWaalsContact O-N 3.15Å; D63-K66 VanDerWaalsContact O-CB 3.24Å; D63-K66 WeakPolarHBondContact O-CB 3.46Å; D63-K66 PolarHBondContact O-N 3.47Å; D63-K97 WeakPolarHBondContact OD1-CE 3.29Å; D63-K97 IonicContact OD1-NZ 3.2Å; D63-K97 PolarHBondContact OD1-NZ 2.87Å; D63-K97 IonicContact OD2-NZ 2.86Å; D63-K97 PolarHBondContact OD2-NZ 2.87Å
64A92.8Very high94.1Very high87 Ų8745 Ų4572%0.71926%0.261SS*.G310 helixtrans-58.4-27.1172.700000112.8S62S62-A64 PolarHBondContact O-N 3.33Å; S62-A64 WeakPolarHBondContact OG-CB 3.29Å; S62-A64 PolarHBondContact OG-N 2.99Å
65F92.2Very high94Very high59 Ų5953.3 Ų53.326%0.25930%0.3SS..G310 helixtrans-102.76.8179.3-61-71.4000113.5V37 S60 S62 D63 G67 I68 R69V37-F65 HydrophobicContact CB-CZ 4.4Å; V37-F65 HydrophobicContact CG1-CE1 3.8Å; V37-F65 HydrophobicContact CG1-CZ 3.98Å; V37-F65 HydrophobicContact CG2-CZ 4.07Å; S60-F65 VanDerWaalsContact CB-CD2 3.43Å; S60-F65 VanDerWaalsContact OG-CD2 3.29Å; S60-F65 WeakPolarHBondContact OG-CD2 3.31Å; S62-F65 PolarHBondContact O-N 2.94Å; D63-F65 PolarHBondContact O-N 3.31Å; D63-F65 VanDerWaalsContact O-N 3.15Å; F65-G67 PolarHBondContact O-N 3.15Å; F65-I68 HydrophobicContact CB-CG1 4.17Å; F65-I68 HydrophobicContact CD1-CD1 3.66Å; F65-I68 HydrophobicContact CD1-CG1 4.17Å; F65-I68 HydrophobicContact CE1-CD1 4.42Å; F65-I68 WeakPolarHBondContact O-CG1 3.37Å; F65-I68 PolarHBondContact O-N 2.78Å; F65-I68 VanDerWaalsContact O-N 3.13Å; F65-R69 VanDerWaalsContact O-CB 3.3Å; F65-R69 WeakPolarHBondContact O-CB 3.49Å; F65-R69 PolarHBondContact O-N 2.8Å
66K92.8Very high94Very high123 Ų12353 Ų5354%0.53530%0.296SS..THydrogen-bonded Turntrans-56.9-35.3-177.6-178.2-179176.7-175.90113.4D63 P70D63-K66 VanDerWaalsContact O-CB 3.24Å; D63-K66 WeakPolarHBondContact O-CB 3.46Å; D63-K66 PolarHBondContact O-N 3.47Å; K66-P70 VanDerWaalsContact O-CD 3.25Å; K66-P70 WeakPolarHBondContact O-CD 3.31Å
67G92.9Very high94.1Very high73 Ų7355.2 Ų55.275%0.75331%0.308SS*.THydrogen-bonded Turntrans-71.5-29.8179.700000114.3F65F65-G67 PolarHBondContact O-N 3.15Å
68I92.9Very high94.2Very high95 Ų9552.9 Ų52.949%0.48730%0.299SS..THydrogen-bonded Turntrans-103.3-24.7-17567.8169.3000113.4F65 P70 L71F65-I68 HydrophobicContact CB-CG1 4.17Å; F65-I68 HydrophobicContact CD1-CD1 3.66Å; F65-I68 HydrophobicContact CD1-CG1 4.17Å; F65-I68 HydrophobicContact CE1-CD1 4.42Å; F65-I68 WeakPolarHBondContact O-CG1 3.37Å; F65-I68 PolarHBondContact O-N 2.78Å; F65-I68 VanDerWaalsContact O-N 3.13Å; I68-P70 VanDerWaalsContact C-N 3.26Å; I68-L71 HydrophobicContact CB-CD1 4.45Å; I68-L71 VanDerWaalsContact O-CB 3.24Å; I68-L71 WeakPolarHBondContact O-CB 3.44Å; I68-L71 VanDerWaalsContact O-CG 3.29Å; I68-L71 WeakPolarHBondContact O-CG 3.5Å; I68-L71 PolarHBondContact O-N 3.49Å
69R94.7Very high94.4Very high6 Ų652.9 Ų52.92%0.02330%0.299CS..THydrogen-bonded Turntrans-52.4-34.6178.7178.7169.551.8-119.9-1.3114T59 S60 S62 F65 L71 S72 Y73 E101T59-R69 HydrophobicContact CG2-CG 4.28Å; S60-R69 WeakPolarHBondContact O-CD 3.45Å; S60-R69 PolarHBondContact O-NH1 3.23Å; S62-R69 PolarHBondContact O-NH1 3.38Å; F65-R69 VanDerWaalsContact O-CB 3.3Å; F65-R69 WeakPolarHBondContact O-CB 3.49Å; F65-R69 PolarHBondContact O-N 2.8Å; R69-L71 PolarHBondContact O-N 2.69Å; R69-L71 VanDerWaalsContact O-N 3.14Å; R69-S72 VanDerWaalsContact O-CB 3.3Å; R69-S72 WeakPolarHBondContact O-CB 3.32Å; R69-S72 PolarHBondContact O-N 2.94Å; R69-S72 PolarHBondContact O-OG 3Å; R69-Y73 WeakPolarHBondContact CD-OH 3.33Å; R69-Y73 HydrophobicContact CG-CE1 3.96Å; R69-Y73 WeakPolarHBondContact CG-OH 3.16Å; R69-E101 IonicContact CZ-OE1 3.39Å; R69-E101 IonicContact CZ-OE2 3.54Å; R69-E101 IonicContact NE-OE1 2.67Å; R69-E101 PolarHBondContact NE-OE1 3.38Å; R69-E101 IonicContact NE-OE2 3.65Å; R69-E101 IonicContact NH2-OE1 2.85Å; R69-E101 IonicContact NH2-OE2 3.79Å; R69-E101 PolarHBondContact NH2-OE2 3Å
70P94.6Very high94.5Very high26 Ų2652.8 Ų52.817%0.16930%0.298CS..Hα-helixtrans-57.4-24.3173.1-30.838.9000115.7K66 I68 S72 Y73 H105K66-P70 VanDerWaalsContact O-CD 3.25Å; K66-P70 WeakPolarHBondContact O-CD 3.31Å; I68-P70 VanDerWaalsContact C-N 3.26Å; P70-S72 PolarHBondContact O-N 2.89Å; P70-Y73 HydrophobicContact CB-CD2 4.3Å; P70-Y73 WeakPolarHBondContact O-CB 3.5Å; P70-Y73 PolarHBondContact O-N 3.48Å; P70-H105 WeakPolarHBondContact CB-NE2 3.32Å; P70-H105 WeakPolarHBondContact CG-NE2 3.41Å
71L93.7Very high94.8Very high117 Ų11752.2 Ų52.261%0.61330%0.295SS*.Hα-helixtrans-62.9-32.2175-58.7176.6000111.2I68 R69 Y73I68-L71 HydrophobicContact CB-CD1 4.45Å; I68-L71 VanDerWaalsContact O-CB 3.24Å; I68-L71 WeakPolarHBondContact O-CB 3.44Å; I68-L71 VanDerWaalsContact O-CG 3.29Å; I68-L71 WeakPolarHBondContact O-CG 3.5Å; I68-L71 PolarHBondContact O-N 3.49Å; R69-L71 PolarHBondContact O-N 2.69Å; R69-L71 VanDerWaalsContact O-N 3.14Å; L71-Y73 PolarHBondContact O-N 2.94Å
72S94.8Very high95.2Very high9 Ų952 Ų526%0.06329%0.293CS..Hα-helixtrans-69.4-21.2175.2-48.30000112.7K6 Y38 R69 P70K6-S72 WeakPolarHBondContact CE-O 3.42Å; K6-S72 PolarHBondContact NZ-O 3.2Å; Y38-S72 WeakPolarHBondContact CE2-OG 3.46Å; R69-S72 VanDerWaalsContact O-CB 3.3Å; R69-S72 WeakPolarHBondContact O-CB 3.32Å; R69-S72 PolarHBondContact O-N 2.94Å; R69-S72 PolarHBondContact O-OG 3Å; P70-S72 PolarHBondContact O-N 2.89Å
73Y95.8Very high95.5Very high3 Ų350.1 Ų50.11%0.01228%0.279CS..Hα-helixtrans-79.2-19.7-176-61.7-13000113.8V8 V10 R69 P70 L71 Q75 A76 E101 H105 L106V8-Y73 HydrophobicContact CG1-CD1 3.93Å; V8-Y73 HydrophobicContact CG1-CE1 4.02Å; V10-Y73 HydrophobicContact CG1-CE1 3.52Å; V10-Y73 WeakPolarHBondContact CG1-OH 3.12Å; R69-Y73 WeakPolarHBondContact CD-OH 3.33Å; R69-Y73 HydrophobicContact CG-CE1 3.96Å; R69-Y73 WeakPolarHBondContact CG-OH 3.16Å; P70-Y73 HydrophobicContact CB-CD2 4.3Å; P70-Y73 WeakPolarHBondContact O-CB 3.5Å; P70-Y73 PolarHBondContact O-N 3.48Å; L71-Y73 PolarHBondContact O-N 2.94Å; Y73-Q75 PolarHBondContact O-N 3.21Å; Y73-A76 VanDerWaalsContact O-CB 3.3Å; Y73-A76 WeakPolarHBondContact O-CB 3.39Å; Y73-A76 PolarHBondContact O-N 2.95Å; Y73-E101 HydrophobicContact CE2-CG 4.32Å; Y73-E101 PolarHBondContact OH-OE1 3.37Å; Y73-H105 HydrophobicContact CD2-CB 3.79Å; Y73-H105 AromaticContact CD2-CG 3.95Å; Y73-L106 HydrophobicContact CG-CD1 4.15Å; Y73-L106 WeakPolarHBondContact O-CD2 3.29Å
74Q93.1Very high95.8Very high128 Ų12845.5 Ų45.560%0.59826%0.255SS*.THydrogen-bonded Turntrans-53.3128.2-177.8-68.2-174.8-19.100110.9K6 A76K6-Q74 WeakPolarHBondContact CE-O 3.5Å; K6-Q74 PolarHBondContact NZ-O 3.29Å; Q74-A76 PolarHBondContact O-N 2.93Å
75Q93.7Very high96Very high175 Ų17541.4 Ų41.482%0.81822%0.221SC*.THydrogen-bonded Turntrans60.223.8179.5-53.7172.8-38.900114.7Y73 D77Y73-Q75 PolarHBondContact O-N 3.21Å; Q75-D77 PolarHBondContact O-N 2.92Å
76A97.8Very high96.3Very high3 Ų340.8 Ų40.83%0.02523%0.227CC..  trans-63.9132.8172.800000111.5V8 Y73 Q74 L106 I109V8-A76 HydrophobicContact CG2-CB 3.66Å; Y73-A76 VanDerWaalsContact O-CB 3.3Å; Y73-A76 WeakPolarHBondContact O-CB 3.39Å; Y73-A76 PolarHBondContact O-N 2.95Å; Q74-A76 PolarHBondContact O-N 2.93Å; A76-L106 HydrophobicContact CB-CD1 3.88Å; A76-L106 HydrophobicContact CB-CD2 4.38Å; A76-I109 WeakPolarHBondContact O-CD1 3.46Å; A76-I109 WeakPolarHBondContact O-CG1 3.48Å; A76-I109 WeakPolarHBondContact O-CG2 3.41Å
77D98.1Very high96.5Very high48 Ų4837.9 Ų37.926%0.25722%0.217SC..SBendtrans-93.2-27.4176.4-65-63.4000112.1I5 K6 Q75 P110 A170I5-D77 WeakPolarHBondContact CA-OD2 3.45Å; I5-D77 HydrophobicContact CG2-CB 4.01Å; K6-D77 PolarHBondContact N-OD2 2.82Å; K6-D77 PolarHBondContact O-N 3.4Å; Q75-D77 PolarHBondContact O-N 2.92Å; D77-P110 VanDerWaalsContact O-CD 3.31Å; D77-P110 WeakPolarHBondContact O-CD 3.09Å; D77-P110 VanDerWaalsContact O-CG 3.31Å; D77-P110 WeakPolarHBondContact O-CG 3.34Å; D77-A170 HydrophobicContact CB-CB 4Å
78V98.6Very high96.8Very high0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-153.3147.9176.562.30000110.3I5 K6 C7 V8 P110 L112 A166 A170I5-V78 HydrophobicContact CG2-CG1 4.39Å; K6-V78 PolarHBondContact O-N 2.98Å; C7-V78 WeakPolarHBondContact CA-O 3.36Å; C7-V78 HydrophobicContact CB-CG1 3.86Å; V8-V78 PolarHBondContact N-O 2.69Å; V8-V78 VanDerWaalsContact N-O 3.07Å; V78-P110 HydrophobicContact CB-CG 4.35Å; V78-P110 HydrophobicContact CG2-CG 4.34Å; V78-L112 HydrophobicContact CG2-CD1 4.19Å; V78-L112 HydrophobicContact CG2-CG 4.34Å; V78-A166 HydrophobicContact CG1-CB 4.1Å; V78-A166 HydrophobicContact CG2-CB 4.39Å; V78-A170 HydrophobicContact CB-CB 4.23Å; V78-A170 HydrophobicContact CG1-CB 4.28Å
79V98.8Very high97Very high1 Ų139.6 Ų39.61%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-119.7129.5175.2-179.80000109.9V8 V10 I102 L106 I109 P110 V111 L112V8-V79 CarbonylContact O-C 3.55Å; V8-V79 WeakPolarHBondContact O-CA 3.36Å; V10-V79 HydrophobicContact CG1-CG1 4.32Å; V10-V79 HydrophobicContact CG2-CG1 3.64Å; V79-I102 HydrophobicContact CG1-CD1 3.95Å; V79-I102 HydrophobicContact CG1-CG1 4.27Å; V79-I102 HydrophobicContact CG2-CG2 4.38Å; V79-L106 HydrophobicContact CG2-CD1 3.63Å; V79-I109 HydrophobicContact CG2-CG2 4.18Å; V79-P110 PolarHBondContact N-O 3.4Å; V79-V111 HydrophobicContact CB-CG2 4.21Å; V79-V111 CarbonylContact O-C 3.53Å; V79-V111 WeakPolarHBondContact O-CA 3.17Å; V79-L112 PolarHBondContact O-N 2.72Å
80L98.9Very high97.2Very high0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-93.4114.4166.5-58-176.8000108.3V8 L9 V10 L112 V114 V162 F163 A166V8-L80 PolarHBondContact O-N 2.66Å; L9-L80 WeakPolarHBondContact CA-O 3.38Å; L9-L80 HydrophobicContact CD1-CD1 4.08Å; L9-L80 HydrophobicContact CG-CB 4.08Å; L9-L80 HydrophobicContact CG-CD1 4.03Å; L9-L80 HydrophobicContact CG-CG 4.49Å; V10-L80 PolarHBondContact N-O 3.36Å; L80-L112 HydrophobicContact CD2-CB 3.87Å; L80-L112 HydrophobicContact CD2-CD1 3.77Å; L80-L112 HydrophobicContact CD2-CG 4.31Å; L80-V114 HydrophobicContact CB-CG2 4.13Å; L80-V114 HydrophobicContact CD2-CG2 3.99Å; L80-V114 HydrophobicContact CG-CG2 4.49Å; L80-V162 HydrophobicContact CD1-CG1 3.64Å; L80-V162 HydrophobicContact CD2-CG1 4.19Å; L80-F163 HydrophobicContact CD1-CD1 4.36Å; L80-F163 HydrophobicContact CD1-CE1 3.94Å; L80-F163 HydrophobicContact CD1-CZ 4.44Å; L80-A166 HydrophobicContact CD2-CB 4.03Å
81M98.8Very high97.4Very high0 Ų039.3 Ų39.30%020%0.203CC..EExtended strand (participates in β ladder)trans-101101.6178.5-17417467.800108.7V10 L94 W98 I99 I102 V111 L112 V113 V114 V143V10-M81 HydrophobicContact CG2-CB 4.22Å; V10-M81 HydrophobicContact CG2-CG 4.24Å; M81-L94 HydrophobicContact CE-CB 4.02Å; M81-L94 HydrophobicContact CE-CD1 4.36Å; M81-L94 HydrophobicContact CE-CD2 4.48Å; M81-L94 HydrophobicContact CG-CD2 3.69Å; M81-L94 HydrophobicContact SD-CB 4.41Å; M81-L94 HydrophobicContact SD-CD2 4.26Å; M81-W98 HydrophobicContact CG-CB 4.01Å; M81-W98 HydrophobicContact SD-CB 3.62Å; M81-I99 HydrophobicContact SD-CB 4.27Å; M81-I102 HydrophobicContact CB-CD1 4.16Å; M81-I102 HydrophobicContact CG-CD1 4.04Å; M81-I102 HydrophobicContact SD-CD1 3.62Å; M81-V111 HydrophobicContact CB-CG1 3.73Å; M81-V111 HydrophobicContact CE-CG1 4.24Å; M81-V111 HydrophobicContact SD-CG1 4.44Å; M81-L112 PolarHBondContact N-O 3.22Å; M81-V113 HydrophobicContact CE-CG2 3.73Å; M81-V113 WeakPolarHBondContact O-CA 3.37Å; M81-V114 PolarHBondContact O-N 3.1Å; M81-V143 HydrophobicContact CE-CG2 3.95Å
82C98.9Very high97.6Very high0 Ų038 Ų380%020%0.196CC..EExtended strand (participates in β ladder)trans-99.7143.6-166.1-56.60000112.7V10 G11 V15 K17 V114 T116V10-C82 PolarHBondContact O-N 3.08Å; G11-C82 WeakPolarHBondContact CA-O 3.38Å; V15-C82 HydrophobicContact CG2-CB 4.09Å; K17-C82 HydrophobicContact CD-CB 4.39Å; K17-C82 HydrophobicContact CG-CB 3.95Å; C82-V114 VanDerWaalsContact CA-O 3.29Å; C82-V114 WeakPolarHBondContact CA-O 3.34Å; C82-T116 HydrophobicContact CB-CG2 4.22Å
83Y98.9Very high97.8Very high0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-141.2157.4168.177.2-76.2000109.7V85 F91 L94 V113 V114 A115 T116 I131 Y148Y83-V85 HydrophobicContact CE2-CG1 4.44Å; Y83-F91 HydrophobicContact CD1-CD2 4.4Å; Y83-F91 HydrophobicContact CD2-CB 3.69Å; Y83-F91 AromaticContact CD2-CD2 3.76Å; Y83-F91 HydrophobicContact CD2-CD2 3.76Å; Y83-F91 HydrophobicContact CD2-CG 4.19Å; Y83-F91 HydrophobicContact CE1-CD2 4.15Å; Y83-F91 HydrophobicContact CE2-CB 4.08Å; Y83-F91 AromaticContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CD2 3.5Å; Y83-F91 VanDerWaalsContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CE2 4.32Å; Y83-F91 HydrophobicContact CE2-CG 4.16Å; Y83-F91 HydrophobicContact CG-CB 4.35Å; Y83-F91 HydrophobicContact CG-CD2 4.19Å; Y83-F91 AromaticContact CZ-CD2 3.69Å; Y83-L94 HydrophobicContact CD1-CD1 3.54Å; Y83-L94 HydrophobicContact CE1-CD1 4.26Å; Y83-L94 HydrophobicContact CG-CD1 3.95Å; Y83-V113 HydrophobicContact CD1-CG1 4.16Å; Y83-V113 HydrophobicContact CE1-CG1 3.89Å; Y83-V114 WeakPolarHBondContact CD1-O 3.32Å; Y83-V114 PolarHBondContact N-O 3.46Å; Y83-A115 HydrophobicContact CD1-CB 4.28Å; Y83-A115 HydrophobicContact CE1-CB 3.44Å; Y83-A115 VanDerWaalsContact CE1-CB 3.44Å; Y83-A115 HydrophobicContact CE2-CB 4.21Å; Y83-A115 VanDerWaalsContact CZ-CB 3.4Å; Y83-A115 WeakPolarHBondContact OH-CB 3.43Å; Y83-T116 PolarHBondContact O-N 2.88Å; Y83-T116 PolarHBondContact O-OG1 3.22Å; Y83-I131 HydrophobicContact CE2-CB 4Å; Y83-I131 HydrophobicContact CE2-CG1 4.2Å; Y83-I131 HydrophobicContact CE2-CG2 3.89Å; Y83-Y148 HydrophobicContact CE1-CE2 4.15Å; Y83-Y148 PolarHBondContact OH-OH 2.96Å
84S98.6Very high97.9Very high3 Ų339.7 Ų39.72%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-90.3134.3173.3164.60000110.3A86 N87 S90 T116 Q117S84-A86 PolarHBondContact O-N 3.47Å; S84-A86 PolarHBondContact OG-N 2.91Å; S84-A86 VanDerWaalsContact OG-N 3.17Å; S84-N87 PolarHBondContact O-N 3.21Å; S84-S90 PolarHBondContact N-OG 3.04Å; S84-S90 VanDerWaalsContact N-OG 3.11Å; S84-S90 PolarHBondContact O-OG 2.97Å; S84-T116 WeakPolarHBondContact CA-OG1 3.49Å; S84-Q117 VanDerWaalsContact CB-OE1 3.24Å; S84-Q117 PolarHBondContact OG-OE1 2.98Å
85V98.6Very high98.2Very high0 Ų040 Ų400%020%0.201CC..THydrogen-bonded Turntrans-61.6-23.7175.8-60.30000112.8Y83 A115 T116 Q117 T118 R121 C130 I131Y83-V85 HydrophobicContact CE2-CG1 4.44Å; V85-A115 HydrophobicContact CG1-CB 3.67Å; V85-T116 PolarHBondContact N-O 3.46Å; V85-Q117 VanDerWaalsContact CG2-O 3.26Å; V85-Q117 WeakPolarHBondContact CG2-O 3.49Å; V85-T118 HydrophobicContact CG1-CG2 4Å; V85-R121 HydrophobicContact CG2-CB 4.07Å; V85-C130 HydrophobicContact CB-CB 4.36Å; V85-C130 HydrophobicContact CG2-CB 4.35Å; V85-C130 CarbonylContact O-C 3.47Å; V85-C130 VanDerWaalsContact O-CA 3.26Å; V85-C130 WeakPolarHBondContact O-CA 3.34Å; V85-C130 WeakPolarHBondContact O-CB 3.33Å; V85-I131 PolarHBondContact O-N 2.93Å
86A97.2Very high98.4Very high46 Ų4637.5 Ų37.538%0.3819%0.193SC..THydrogen-bonded Turntrans-87.1-6.4178.700000113.2S84 Q120S84-A86 PolarHBondContact O-N 3.47Å; S84-A86 PolarHBondContact OG-N 2.91Å; S84-A86 VanDerWaalsContact OG-N 3.17Å; A86-Q120 HydrophobicContact CB-CB 3.87Å; A86-Q120 HydrophobicContact CB-CG 4.1Å
87N97.8Very high98.4Very high63 Ų6339.4 Ų39.434%0.33720%0.2SC..  trans-122.997.6-176.5-175.2-21.3000111.7S84 N89 S90 F91S84-N87 PolarHBondContact O-N 3.21Å; N87-N89 VanDerWaalsContact C-N 3.32Å; N87-N89 PolarHBondContact O-N 2.86Å; N87-N89 PolarHBondContact OD1-N 2.74Å; N87-N89 VanDerWaalsContact OD1-N 3.09Å; N87-S90 PolarHBondContact O-N 3.17Å; N87-S90 VanDerWaalsContact O-N 3.15Å; N87-S90 PolarHBondContact O-OG 2.79Å; N87-S90 PolarHBondContact OD1-N 2.93Å; N87-S90 VanDerWaalsContact OD1-N 3.12Å; N87-F91 PolarHBondContact O-N 3.03Å
88H97.7Very high98.4Very high95 Ų9537.1 Ų37.144%0.4419%0.188SC..Hα-helixtrans-57.2-38.8178.5-68.585.4000113.8S90 F91 L92 S129 I131H88-S90 VanDerWaalsContact C-N 3.3Å; H88-S90 PolarHBondContact O-N 2.8Å; H88-F91 WeakPolarHBondContact O-CB 3.43Å; H88-F91 PolarHBondContact O-N 2.88Å; H88-F91 VanDerWaalsContact O-N 3.15Å; H88-L92 WeakPolarHBondContact O-CG 3.26Å; H88-L92 PolarHBondContact O-N 3.18Å; H88-S129 PolarHBondContact CE1-O 2.88Å; H88-S129 PolarHBondContact NE2-O 3.41Å; H88-I131 WeakPolarHBondContact CD2-CD1 3.49Å
89N98.3Very high98.4Very high109 Ų10938.2 Ų38.258%0.58319%0.194SC*.Hα-helixtrans-64-40.3179.4-72.7-23.8000110.8N87 F91 L92 N93N87-N89 VanDerWaalsContact C-N 3.32Å; N87-N89 PolarHBondContact O-N 2.86Å; N87-N89 PolarHBondContact OD1-N 2.74Å; N87-N89 VanDerWaalsContact OD1-N 3.09Å; N89-F91 VanDerWaalsContact C-N 3.25Å; N89-F91 PolarHBondContact O-N 3.07Å; N89-L92 PolarHBondContact O-N 2.92Å; N89-N93 WeakPolarHBondContact O-CB 3.3Å; N89-N93 VanDerWaalsContact O-CG 3.22Å; N89-N93 PolarHBondContact O-N 3.37Å; N89-N93 PolarHBondContact O-ND2 2.84Å
90S98.7Very high98.4Very high1 Ų139.9 Ų39.91%0.00721%0.211CC..Hα-helixtrans-62.5-33.917677.40000112.9D12 S84 N87 H88 L94D12-S90 WeakPolarHBondContact OD2-CA 3.38Å; S84-S90 PolarHBondContact N-OG 3.04Å; S84-S90 VanDerWaalsContact N-OG 3.11Å; S84-S90 PolarHBondContact O-OG 2.97Å; N87-S90 PolarHBondContact O-N 3.17Å; N87-S90 VanDerWaalsContact O-N 3.15Å; N87-S90 PolarHBondContact O-OG 2.79Å; N87-S90 PolarHBondContact OD1-N 2.93Å; N87-S90 VanDerWaalsContact OD1-N 3.12Å; H88-S90 VanDerWaalsContact C-N 3.3Å; H88-S90 PolarHBondContact O-N 2.8Å; S90-L94 PolarHBondContact O-N 3.24Å
91F98.8Very high98.3Very high25 Ų2540.6 Ų40.611%0.1121%0.214CC..Hα-helixtrans-68.1-47.9174.2178.2-109.3000112Y83 N87 H88 N89 N93 L94 I131 D135 L139Y83-F91 HydrophobicContact CD1-CD2 4.4Å; Y83-F91 HydrophobicContact CD2-CB 3.69Å; Y83-F91 AromaticContact CD2-CD2 3.76Å; Y83-F91 HydrophobicContact CD2-CD2 3.76Å; Y83-F91 HydrophobicContact CD2-CG 4.19Å; Y83-F91 HydrophobicContact CE1-CD2 4.15Å; Y83-F91 HydrophobicContact CE2-CB 4.08Å; Y83-F91 AromaticContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CD2 3.5Å; Y83-F91 VanDerWaalsContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CE2 4.32Å; Y83-F91 HydrophobicContact CE2-CG 4.16Å; Y83-F91 HydrophobicContact CG-CB 4.35Å; Y83-F91 HydrophobicContact CG-CD2 4.19Å; Y83-F91 AromaticContact CZ-CD2 3.69Å; N87-F91 PolarHBondContact O-N 3.03Å; H88-F91 WeakPolarHBondContact O-CB 3.43Å; H88-F91 PolarHBondContact O-N 2.88Å; H88-F91 VanDerWaalsContact O-N 3.15Å; N89-F91 VanDerWaalsContact C-N 3.25Å; N89-F91 PolarHBondContact O-N 3.07Å; F91-N93 VanDerWaalsContact C-N 3.3Å; F91-N93 PolarHBondContact O-N 3.26Å; F91-L94 VanDerWaalsContact O-CB 3.28Å; F91-L94 WeakPolarHBondContact O-CB 3.43Å; F91-L94 WeakPolarHBondContact O-CG 3.43Å; F91-L94 PolarHBondContact O-N 3.35Å; F91-L94 VanDerWaalsContact O-N 3.15Å; F91-I131 HydrophobicContact CB-CD1 4.31Å; F91-I131 HydrophobicContact CB-CG1 4.08Å; F91-I131 HydrophobicContact CD1-CD1 3.91Å; F91-I131 HydrophobicContact CD1-CG1 4.38Å; F91-I131 HydrophobicContact CD1-CG2 4.46Å; F91-I131 HydrophobicContact CD2-CG2 3.97Å; F91-I131 HydrophobicContact CE1-CD1 4.46Å; F91-I131 HydrophobicContact CE1-CG2 4.44Å; F91-I131 HydrophobicContact CE2-CG2 3.94Å; F91-I131 HydrophobicContact CG-CD1 4.15Å; F91-I131 HydrophobicContact CG-CG1 4.1Å; F91-I131 HydrophobicContact CG-CG2 4.22Å; F91-I131 HydrophobicContact CZ-CG2 4.17Å; F91-D135 HydrophobicContact CZ-CB 4.14Å; F91-L139 HydrophobicContact CD1-CD1 4.34Å; F91-L139 HydrophobicContact CD2-CD1 3.97Å; F91-L139 HydrophobicContact CE1-CD1 3.93Å; F91-L139 HydrophobicContact CE2-CB 3.7Å; F91-L139 HydrophobicContact CE2-CD1 3.53Å; F91-L139 HydrophobicContact CE2-CD2 4.37Å; F91-L139 HydrophobicContact CE2-CG 4.05Å; F91-L139 HydrophobicContact CG-CD1 4.37Å; F91-L139 HydrophobicContact CZ-CB 3.62Å; F91-L139 HydrophobicContact CZ-CD1 3.52Å; F91-L139 HydrophobicContact CZ-CG 4.15Å
92L98.5Very high98.3Very high89 Ų8940.7 Ų40.747%0.46622%0.215SC..Hα-helixtrans-62.9-38177.6-65.1176.9000112H88 N89 L94 R95 N96H88-L92 WeakPolarHBondContact O-CG 3.26Å; H88-L92 PolarHBondContact O-N 3.18Å; N89-L92 PolarHBondContact O-N 2.92Å; L92-L94 PolarHBondContact O-N 3.44Å; L92-R95 PolarHBondContact O-N 3.23Å; L92-R95 VanDerWaalsContact O-N 3.15Å; L92-N96 PolarHBondContact O-N 3.03Å; L92-N96 PolarHBondContact O-ND2 3.08Å
93N98.8Very high98.3Very high48 Ų4843.9 Ų43.926%0.25723%0.227SC..Hα-helixtrans-63.8-19.8177.8-76.5-20.4000113.1D12 N89 F91 R95 K97 W98D12-N93 PolarHBondContact OD2-ND2 3.42Å; N89-N93 WeakPolarHBondContact O-CB 3.3Å; N89-N93 VanDerWaalsContact O-CG 3.22Å; N89-N93 PolarHBondContact O-N 3.37Å; N89-N93 PolarHBondContact O-ND2 2.84Å; F91-N93 VanDerWaalsContact C-N 3.3Å; F91-N93 PolarHBondContact O-N 3.26Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 2.85Å; N93-K97 WeakPolarHBondContact O-CA 3.2Å; N93-K97 WeakPolarHBondContact O-CB 3.39Å; N93-K97 PolarHBondContact O-N 3.36Å; N93-W98 VanDerWaalsContact O-CD1 3.29Å; N93-W98 PolarHBondContact O-N 3.37Å
94L98.6Very high98.2Very high0 Ų050.3 Ų50.30%026%0.261CS..Iπ-helixtrans-59.4-46.2172.3-61.5-166.5000111.9M81 Y83 S90 F91 L92 W98 I99 V113 L139M81-L94 HydrophobicContact CE-CB 4.02Å; M81-L94 HydrophobicContact CE-CD1 4.36Å; M81-L94 HydrophobicContact CE-CD2 4.48Å; M81-L94 HydrophobicContact CG-CD2 3.69Å; M81-L94 HydrophobicContact SD-CB 4.41Å; M81-L94 HydrophobicContact SD-CD2 4.26Å; Y83-L94 HydrophobicContact CD1-CD1 3.54Å; Y83-L94 HydrophobicContact CE1-CD1 4.26Å; Y83-L94 HydrophobicContact CG-CD1 3.95Å; S90-L94 PolarHBondContact O-N 3.24Å; F91-L94 VanDerWaalsContact O-CB 3.28Å; F91-L94 WeakPolarHBondContact O-CB 3.43Å; F91-L94 WeakPolarHBondContact O-CG 3.43Å; F91-L94 PolarHBondContact O-N 3.35Å; F91-L94 VanDerWaalsContact O-N 3.15Å; L92-L94 PolarHBondContact O-N 3.44Å; L94-W98 HydrophobicContact CD2-CG 4.49Å; L94-I99 WeakPolarHBondContact O-CB 3.43Å; L94-I99 VanDerWaalsContact O-CG2 3.29Å; L94-I99 WeakPolarHBondContact O-CG2 3.28Å; L94-I99 PolarHBondContact O-N 2.8Å; L94-V113 HydrophobicContact CD1-CG1 3.88Å; L94-L139 HydrophobicContact CB-CD1 4.28Å; L94-L139 HydrophobicContact CB-CD2 3.89Å; L94-L139 HydrophobicContact CD1-CD2 3.68Å; L94-L139 HydrophobicContact CG-CD2 4.44Å
95R98.1Very high98.2Very high135 Ų13554.4 Ų54.451%0.50928%0.28SS..Iπ-helixtrans-76.8-44177.8175.7178.8-105.8164.9-1.5111.5L92 N93 I99 D142L92-R95 PolarHBondContact O-N 3.23Å; L92-R95 VanDerWaalsContact O-N 3.15Å; N93-R95 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 2.85Å; R95-I99 WeakPolarHBondContact O-CG2 3.48Å; R95-D142 IonicContact CZ-OD2 2.74Å; R95-D142 IonicContact NH1-OD2 3.35Å; R95-D142 VanDerWaalsContact NH2-CB 3.32Å; R95-D142 IonicContact NH2-OD2 2.76Å; R95-D142 PolarHBondContact NH2-OD2 3.04Å
96N98.1Very high98.1Very high121 Ų12155.1 Ų55.165%0.64728%0.284SS*.Iπ-helixtrans-82.9-20.7-167.9-62.5-16.5000113.6L92L92-N96 PolarHBondContact O-N 3.03Å; L92-N96 PolarHBondContact O-ND2 3.08Å
97K97.9Very high98Very high43 Ų4357.2 Ų57.219%0.18729%0.293CS..Iπ-helixtrans-134-63.2-172.6173.1179.4168.4178.10112.2D63 N93 I99 G100 E101D63-K97 WeakPolarHBondContact OD1-CE 3.29Å; D63-K97 IonicContact OD1-NZ 3.2Å; D63-K97 PolarHBondContact OD1-NZ 2.87Å; D63-K97 IonicContact OD2-NZ 2.86Å; D63-K97 PolarHBondContact OD2-NZ 2.87Å; N93-K97 WeakPolarHBondContact O-CA 3.2Å; N93-K97 WeakPolarHBondContact O-CB 3.39Å; N93-K97 PolarHBondContact O-N 3.36Å; K97-I99 PolarHBondContact O-N 2.83Å; K97-G100 PolarHBondContact O-N 3.18Å; K97-E101 PolarHBondContact O-N 2.91Å
98W98.4Very high97.9Very high0 Ų064.1 Ų64.10%031%0.314CS..Iπ-helixtrans-67.7-44.3-163.7-66.5111.3000113.3V10 G11 D12 M81 N93 L94 G100 E101 I102V10-W98 HydrophobicContact CB-CE3 4.14Å; V10-W98 HydrophobicContact CB-CZ3 4.34Å; V10-W98 HydrophobicContact CG2-CE3 4.48Å; G11-W98 VanDerWaalsContact CA-CE2 3.48Å; G11-W98 VanDerWaalsContact O-CZ2 3.25Å; G11-W98 WeakPolarHBondContact O-CZ2 3.45Å; D12-W98 PolarHBondContact OD1-NE1 3.26Å; M81-W98 HydrophobicContact CG-CB 4.01Å; M81-W98 HydrophobicContact SD-CB 3.62Å; N93-W98 VanDerWaalsContact O-CD1 3.29Å; N93-W98 PolarHBondContact O-N 3.37Å; L94-W98 HydrophobicContact CD2-CG 4.49Å; W98-G100 VanDerWaalsContact C-N 3.29Å; W98-G100 PolarHBondContact O-N 3.07Å; W98-E101 PolarHBondContact O-N 2.95Å; W98-I102 WeakPolarHBondContact O-CB 3.5Å; W98-I102 WeakPolarHBondContact O-CD1 3.33Å; W98-I102 WeakPolarHBondContact O-CG1 3.48Å; W98-I102 PolarHBondContact O-N 2.81Å
99I98.4Very high97.9Very high24 Ų2461.2 Ų61.212%0.12330%0.302CS..Hα-helixtrans-62.7-38.4178.3-17064.6000112M81 L94 R95 K97 I102 R103 V143M81-I99 HydrophobicContact SD-CB 4.27Å; L94-I99 WeakPolarHBondContact O-CB 3.43Å; L94-I99 VanDerWaalsContact O-CG2 3.29Å; L94-I99 WeakPolarHBondContact O-CG2 3.28Å; L94-I99 PolarHBondContact O-N 2.8Å; R95-I99 WeakPolarHBondContact O-CG2 3.48Å; K97-I99 PolarHBondContact O-N 2.83Å; I99-I102 PolarHBondContact O-N 3.49Å; I99-R103 HydrophobicContact CD1-CG 4Å; I99-R103 HydrophobicContact CG1-CG 4.11Å; I99-R103 WeakPolarHBondContact O-CB 3.36Å; I99-R103 WeakPolarHBondContact O-CG 3.34Å; I99-R103 PolarHBondContact O-N 3.32Å; I99-V143 HydrophobicContact CB-CB 4.34Å; I99-V143 HydrophobicContact CB-CG1 4.39Å; I99-V143 HydrophobicContact CD1-CB 4.21Å; I99-V143 HydrophobicContact CG1-CB 3.97Å; I99-V143 HydrophobicContact CG2-CG1 4.25Å
100G98.2Very high97.9Very high35 Ų3556.2 Ų56.236%0.36128%0.275SS..Hα-helixtrans-62.9-48.9175.700000111.6K97 W98 I102 R103 N104K97-G100 PolarHBondContact O-N 3.18Å; W98-G100 VanDerWaalsContact C-N 3.29Å; W98-G100 PolarHBondContact O-N 3.07Å; G100-I102 PolarHBondContact O-N 3.15Å; G100-R103 PolarHBondContact O-N 3.47Å; G100-N104 WeakPolarHBondContact O-CB 3.37Å; G100-N104 PolarHBondContact O-N 3.36Å; G100-N104 PolarHBondContact O-ND2 3.49Å; G100-N104 PolarHBondContact O-OD1 3.5Å
101E98.2Very high97.9Very high16 Ų1656.1 Ų56.18%0.07528%0.275CS..Hα-helixtrans-58.4-46.4177.3-168.2-177.1116.800111.8R69 Y73 K97 W98 H105R69-E101 IonicContact CZ-OE1 3.39Å; R69-E101 IonicContact CZ-OE2 3.54Å; R69-E101 IonicContact NE-OE1 2.67Å; R69-E101 PolarHBondContact NE-OE1 3.38Å; R69-E101 IonicContact NE-OE2 3.65Å; R69-E101 IonicContact NH2-OE1 2.85Å; R69-E101 IonicContact NH2-OE2 3.79Å; R69-E101 PolarHBondContact NH2-OE2 3Å; Y73-E101 HydrophobicContact CE2-CG 4.32Å; Y73-E101 PolarHBondContact OH-OE1 3.37Å; K97-E101 PolarHBondContact O-N 2.91Å; W98-E101 PolarHBondContact O-N 2.95Å; E101-H105 PolarHBondContact O-ND1 3.29Å
102I98.3Very high97.9Very high1 Ų155 Ų551%0.00527%0.27CS..Hα-helixtrans-62.4-47.7178.1-64160.2000110.2V10 V79 M81 W98 I99 G100 N104 H105 L106 V111V10-I102 HydrophobicContact CG2-CD1 3.66Å; V10-I102 HydrophobicContact CG2-CG1 4.05Å; V79-I102 HydrophobicContact CG1-CD1 3.95Å; V79-I102 HydrophobicContact CG1-CG1 4.27Å; V79-I102 HydrophobicContact CG2-CG2 4.38Å; M81-I102 HydrophobicContact CB-CD1 4.16Å; M81-I102 HydrophobicContact CG-CD1 4.04Å; M81-I102 HydrophobicContact SD-CD1 3.62Å; W98-I102 WeakPolarHBondContact O-CB 3.5Å; W98-I102 WeakPolarHBondContact O-CD1 3.33Å; W98-I102 WeakPolarHBondContact O-CG1 3.48Å; W98-I102 PolarHBondContact O-N 2.81Å; I99-I102 PolarHBondContact O-N 3.49Å; G100-I102 PolarHBondContact O-N 3.15Å; I102-N104 VanDerWaalsContact C-N 3.31Å; I102-N104 PolarHBondContact O-N 3.01Å; I102-H105 PolarHBondContact O-N 3.43Å; I102-L106 HydrophobicContact CG2-CB 4.26Å; I102-L106 CarbonylContact O-C 3.58Å; I102-L106 WeakPolarHBondContact O-CA 3.38Å; I102-L106 WeakPolarHBondContact O-CB 3.17Å; I102-L106 PolarHBondContact O-N 3.28Å; I102-V111 HydrophobicContact CD1-CG1 4.38Å; I102-V111 HydrophobicContact CD1-CG2 4.37Å; I102-V111 HydrophobicContact CG2-CG2 3.7Å
103R97.9Very high97.9Very high68 Ų6850.7 Ų50.726%0.25725%0.248SC..Hα-helixtrans-70.4-27.4-174.7-68.3-69.1170.4-121.4-0113.2I99 G100 H105 L106 P107 I109I99-R103 HydrophobicContact CD1-CG 4Å; I99-R103 HydrophobicContact CG1-CG 4.11Å; I99-R103 WeakPolarHBondContact O-CB 3.36Å; I99-R103 WeakPolarHBondContact O-CG 3.34Å; I99-R103 PolarHBondContact O-N 3.32Å; G100-R103 PolarHBondContact O-N 3.47Å; R103-H105 VanDerWaalsContact C-N 3.3Å; R103-H105 PolarHBondContact O-N 3.15Å; R103-L106 PolarHBondContact NH1-O 3.49Å; R103-P107 WeakPolarHBondContact O-CA 3.33Å; R103-I109 PolarHBondContact NH1-O 3.03Å
104N97.6Very high97.9Very high134 Ų13448.4 Ų48.472%0.71724%0.235SC*.Hα-helixtrans-63.6-35.2173.1-71.3-12.2000112.5G100 I102G100-N104 WeakPolarHBondContact O-CB 3.37Å; G100-N104 PolarHBondContact O-N 3.36Å; G100-N104 PolarHBondContact O-ND2 3.49Å; G100-N104 PolarHBondContact O-OD1 3.5Å; I102-N104 VanDerWaalsContact C-N 3.31Å; I102-N104 PolarHBondContact O-N 3.01Å
105H97.5Very high97.9Very high90 Ų9048.4 Ų48.442%0.41724%0.235SC..Hα-helixtrans-102.1-30-177.5-61.391.9000113.5P70 Y73 E101 I102 R103P70-H105 WeakPolarHBondContact CB-NE2 3.32Å; P70-H105 WeakPolarHBondContact CG-NE2 3.41Å; Y73-H105 HydrophobicContact CD2-CB 3.79Å; Y73-H105 AromaticContact CD2-CG 3.95Å; E101-H105 PolarHBondContact O-ND1 3.29Å; I102-H105 PolarHBondContact O-N 3.43Å; R103-H105 VanDerWaalsContact C-N 3.3Å; R103-H105 PolarHBondContact O-N 3.15Å
106L97.1Very high98Very high15 Ų1542.2 Ų42.28%0.07921%0.212CC..  trans-133.365.4-170.9-58.4175.3000110.8Y73 A76 V79 I102 R103 R108 I109Y73-L106 HydrophobicContact CG-CD1 4.15Å; Y73-L106 WeakPolarHBondContact O-CD2 3.29Å; A76-L106 HydrophobicContact CB-CD1 3.88Å; A76-L106 HydrophobicContact CB-CD2 4.38Å; V79-L106 HydrophobicContact CG2-CD1 3.63Å; I102-L106 HydrophobicContact CG2-CB 4.26Å; I102-L106 CarbonylContact O-C 3.58Å; I102-L106 WeakPolarHBondContact O-CA 3.38Å; I102-L106 WeakPolarHBondContact O-CB 3.17Å; I102-L106 PolarHBondContact O-N 3.28Å; R103-L106 PolarHBondContact NH1-O 3.49Å; L106-R108 PolarHBondContact O-N 2.91Å; L106-R108 VanDerWaalsContact O-N 3.15Å; L106-I109 HydrophobicContact CB-CB 3.91Å; L106-I109 HydrophobicContact CB-CG1 3.8Å; L106-I109 HydrophobicContact CD2-CG1 3.89Å; L106-I109 HydrophobicContact CG-CG1 4.29Å; L106-I109 PolarHBondContact O-N 3.29Å
107P95.9Very high98Very high90 Ų9038.9 Ų38.958%0.58419%0.193SC*.THydrogen-bonded Turntrans-64.2-24.9-171.123.9-34.7000114R103R103-P107 WeakPolarHBondContact O-CA 3.33Å
108R94.9Very high98Very high207 Ų20737.1 Ų37.178%0.78119%0.186SC*.THydrogen-bonded Turntrans-115.7-4.3-174.7-62.7-179-177.21701.6114.4L106 Q173L106-R108 PolarHBondContact O-N 2.91Å; L106-R108 VanDerWaalsContact O-N 3.15Å; R108-Q173 PolarHBondContact O-NE2 3.16Å
109I97.8Very high97.9Very high34 Ų3438.1 Ų38.117%0.17419%0.191CC..SBendtrans-77.5132.9-178-57.9-50.8000109.3A76 V79 R103 L106A76-I109 WeakPolarHBondContact O-CD1 3.46Å; A76-I109 WeakPolarHBondContact O-CG1 3.48Å; A76-I109 WeakPolarHBondContact O-CG2 3.41Å; V79-I109 HydrophobicContact CG2-CG2 4.18Å; R103-I109 PolarHBondContact NH1-O 3.03Å; L106-I109 HydrophobicContact CB-CB 3.91Å; L106-I109 HydrophobicContact CB-CG1 3.8Å; L106-I109 HydrophobicContact CD2-CG1 3.89Å; L106-I109 HydrophobicContact CG-CG1 4.29Å; L106-I109 PolarHBondContact O-N 3.29Å
110P98.3Very high97.7Very high4 Ų440.6 Ų40.63%0.02620%0.202CC..  trans-63.4138.8178.227.4-35.3000110.8D77 V78 V79 K146 T169 Q173D77-P110 VanDerWaalsContact O-CD 3.31Å; D77-P110 WeakPolarHBondContact O-CD 3.09Å; D77-P110 VanDerWaalsContact O-CG 3.31Å; D77-P110 WeakPolarHBondContact O-CG 3.34Å; V78-P110 HydrophobicContact CB-CG 4.35Å; V78-P110 HydrophobicContact CG2-CG 4.34Å; V79-P110 PolarHBondContact N-O 3.4Å; P110-K146 HydrophobicContact CB-CB 4.47Å; P110-K146 HydrophobicContact CB-CG 3.66Å; P110-T169 HydrophobicContact CB-CG2 3.53Å; P110-T169 HydrophobicContact CG-CG2 3.86Å; P110-Q173 HydrophobicContact CG-CB 4.19Å; P110-Q173 HydrophobicContact CG-CG 4.22Å
111V98.8Very high97.6Very high0 Ų041 Ų410%019%0.193CC..EExtended strand (participates in β ladder)trans-115.8136.9176.2175.80000108V79 M81 I102 A145 K146V79-V111 HydrophobicContact CB-CG2 4.21Å; V79-V111 CarbonylContact O-C 3.53Å; V79-V111 WeakPolarHBondContact O-CA 3.17Å; M81-V111 HydrophobicContact CB-CG1 3.73Å; M81-V111 HydrophobicContact CE-CG1 4.24Å; M81-V111 HydrophobicContact SD-CG1 4.44Å; I102-V111 HydrophobicContact CD1-CG1 4.38Å; I102-V111 HydrophobicContact CD1-CG2 4.37Å; I102-V111 HydrophobicContact CG2-CG2 3.7Å; V111-A145 CarbonylContact O-C 3.57Å; V111-A145 WeakPolarHBondContact O-CA 3.5Å; V111-A145 WeakPolarHBondContact O-CB 3.3Å; V111-K146 PolarHBondContact O-N 3.49Å
112L98.9Very high97.2Very high0 Ų043.9 Ų43.90%021%0.209CC..EExtended strand (participates in β ladder)trans-112.3134.3169.9-59.3174.7000108.4V78 V79 L80 M81 K146 L149 Y165 A166 T169V78-L112 HydrophobicContact CG2-CD1 4.19Å; V78-L112 HydrophobicContact CG2-CG 4.34Å; V79-L112 PolarHBondContact O-N 2.72Å; L80-L112 HydrophobicContact CD2-CB 3.87Å; L80-L112 HydrophobicContact CD2-CD1 3.77Å; L80-L112 HydrophobicContact CD2-CG 4.31Å; M81-L112 PolarHBondContact N-O 3.22Å; L112-K146 HydrophobicContact CD2-CB 3.89Å; L112-L149 HydrophobicContact CB-CD1 4.2Å; L112-L149 HydrophobicContact CD1-CD1 4.04Å; L112-Y165 HydrophobicContact CD1-CD1 3.74Å; L112-Y165 HydrophobicContact CD1-CE1 4.49Å; L112-Y165 HydrophobicContact CD2-CD1 3.66Å; L112-Y165 HydrophobicContact CD2-CE1 3.56Å; L112-Y165 HydrophobicContact CG-CD1 4.37Å; L112-A166 HydrophobicContact CD1-CB 4.02Å; L112-T169 HydrophobicContact CD2-CG2 4.38Å
113V98.9Very high96.7Very high0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-85.6129.9170.4174.80000108.1M81 Y83 L94 L139 A140 V143 A145 G147 Y148 L149M81-V113 HydrophobicContact CE-CG2 3.73Å; M81-V113 WeakPolarHBondContact O-CA 3.37Å; Y83-V113 HydrophobicContact CD1-CG1 4.16Å; Y83-V113 HydrophobicContact CE1-CG1 3.89Å; L94-V113 HydrophobicContact CD1-CG1 3.88Å; V113-L139 HydrophobicContact CG1-CD2 4.42Å; V113-L139 HydrophobicContact CG2-CD2 4.24Å; V113-A140 HydrophobicContact CB-CB 3.98Å; V113-A140 HydrophobicContact CG2-CB 3.88Å; V113-V143 HydrophobicContact CG2-CG2 4.06Å; V113-A145 HydrophobicContact CG2-CB 3.85Å; V113-G147 PolarHBondContact N-O 3.11Å; V113-Y148 HydrophobicContact CB-CD2 4.14Å; V113-Y148 HydrophobicContact CG1-CD2 3.8Å; V113-Y148 HydrophobicContact CG1-CE2 4.17Å; V113-Y148 WeakPolarHBondContact O-CA 3.18Å; V113-L149 PolarHBondContact O-N 3.02Å
114V98.9Very high96.1Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-123.5117.6-179.8-174.30000109.7L20 L80 M81 C82 Y83 T116 L149 V162L20-V114 HydrophobicContact CD2-CG1 4.35Å; L80-V114 HydrophobicContact CB-CG2 4.13Å; L80-V114 HydrophobicContact CD2-CG2 3.99Å; L80-V114 HydrophobicContact CG-CG2 4.49Å; M81-V114 PolarHBondContact O-N 3.1Å; C82-V114 VanDerWaalsContact CA-O 3.29Å; C82-V114 WeakPolarHBondContact CA-O 3.34Å; Y83-V114 WeakPolarHBondContact CD1-O 3.32Å; Y83-V114 PolarHBondContact N-O 3.46Å; V114-T116 HydrophobicContact CG1-CG2 4.22Å; V114-L149 CarbonylContact C-O 3.51Å; V114-L149 WeakPolarHBondContact CA-O 3.26Å; V114-V162 HydrophobicContact CG1-CG1 4.28Å; V114-V162 HydrophobicContact CG1-CG2 3.92Å; V114-V162 HydrophobicContact CG2-CG1 4.04Å
115A98.8Very high95.5Very high0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-88.3117.9170.900000109.5Y83 V85 Y148 L149 E150 C151Y83-A115 HydrophobicContact CD1-CB 4.28Å; Y83-A115 HydrophobicContact CE1-CB 3.44Å; Y83-A115 VanDerWaalsContact CE1-CB 3.44Å; Y83-A115 HydrophobicContact CE2-CB 4.21Å; Y83-A115 VanDerWaalsContact CZ-CB 3.4Å; Y83-A115 WeakPolarHBondContact OH-CB 3.43Å; V85-A115 HydrophobicContact CG1-CB 3.67Å; A115-Y148 HydrophobicContact CB-CE2 4.04Å; A115-L149 PolarHBondContact N-O 2.82Å; A115-E150 HydrophobicContact CB-CG 3.92Å; A115-E150 CarbonylContact O-C 3.55Å; A115-E150 WeakPolarHBondContact O-CA 3.37Å; A115-C151 PolarHBondContact O-N 2.9Å
116T98.8Very high95Very high4 Ų449.8 Ų49.83%0.02525%0.249CC..EExtended strand (participates in β ladder)trans-103.3171.3-178.4660000111V15 C82 Y83 S84 V85 V114 T118 C151V15-T116 VanDerWaalsContact O-CB 3.29Å; V15-T116 WeakPolarHBondContact O-CB 3.44Å; V15-T116 PolarHBondContact O-OG1 2.75Å; C82-T116 HydrophobicContact CB-CG2 4.22Å; Y83-T116 PolarHBondContact O-N 2.88Å; Y83-T116 PolarHBondContact O-OG1 3.22Å; S84-T116 WeakPolarHBondContact CA-OG1 3.49Å; V85-T116 PolarHBondContact N-O 3.46Å; V114-T116 HydrophobicContact CG1-CG2 4.22Å; T116-T118 PolarHBondContact O-N 2.97Å; T116-C151 CarbonylContact C-O 3.46Å; T116-C151 WeakPolarHBondContact CA-O 3.48Å
117Q97.8Very high94.7Very high52 Ų5251.4 Ų51.424%0.24326%0.262CS..  trans59.634.7175.6-57.1173.6-2.100112.7A14 S84 V85 D119 Q120 C151A14-Q117 PolarHBondContact O-NE2 2.8Å; S84-Q117 VanDerWaalsContact CB-OE1 3.24Å; S84-Q117 PolarHBondContact OG-OE1 2.98Å; V85-Q117 VanDerWaalsContact CG2-O 3.26Å; V85-Q117 WeakPolarHBondContact CG2-O 3.49Å; Q117-D119 VanDerWaalsContact C-OD1 3.28Å; Q117-D119 WeakPolarHBondContact CA-OD1 3.44Å; Q117-D119 PolarHBondContact O-N 2.76Å; Q117-D119 VanDerWaalsContact O-N 3.16Å; Q117-Q120 HydrophobicContact CB-CG 4.22Å; Q117-Q120 VanDerWaalsContact O-CB 3.29Å; Q117-Q120 WeakPolarHBondContact O-CB 3.45Å; Q117-Q120 PolarHBondContact O-N 2.83Å; Q117-C151 PolarHBondContact N-O 2.86Å
118T98.1Very high94.4Very high5 Ų552.5 Ų52.53%0.03127%0.272CS..THydrogen-bonded Turntrans-62.5-20.6-17850.30000113.7V85 T116 Q120 R121 D122 E150 C151 S152V85-T118 HydrophobicContact CG1-CG2 4Å; T116-T118 PolarHBondContact O-N 2.97Å; T118-Q120 PolarHBondContact O-N 2.92Å; T118-R121 WeakPolarHBondContact O-CB 3.39Å; T118-R121 PolarHBondContact O-N 3.23Å; T118-D122 PolarHBondContact O-N 2.87Å; T118-E150 HydrophobicContact CG2-CB 3.95Å; T118-C151 WeakPolarHBondContact CG2-O 3.34Å; T118-C151 PolarHBondContact N-O 2.86Å; T118-C151 PolarHBondContact OG1-O 3.14Å; T118-S152 WeakPolarHBondContact OG1-CB 3.32Å; T118-S152 PolarHBondContact OG1-N 2.94Å
119D96.4Very high94.3Very high22 Ų2245.8 Ų45.812%0.11826%0.257CS..Hα-helixtrans-53.5-35.4167.450.6-77.9000112.7Q117 R121 D122 T123 S152 L154Q117-D119 VanDerWaalsContact C-OD1 3.28Å; Q117-D119 WeakPolarHBondContact CA-OD1 3.44Å; Q117-D119 PolarHBondContact O-N 2.76Å; Q117-D119 VanDerWaalsContact O-N 3.16Å; D119-R121 PolarHBondContact O-N 2.74Å; D119-D122 PolarHBondContact O-N 3.33Å; D119-D122 VanDerWaalsContact O-N 3.11Å; D119-T123 PolarHBondContact O-N 2.66Å; D119-T123 PolarHBondContact O-OG1 2.89Å; D119-T123 VanDerWaalsContact O-OG1 3.13Å; D119-S152 VanDerWaalsContact CG-OG 3.31Å; D119-S152 VanDerWaalsContact OD1-CB 3.26Å; D119-S152 WeakPolarHBondContact OD1-CB 3.43Å; D119-S152 PolarHBondContact OD1-OG 3.04Å; D119-L154 HydrophobicContact CB-CD2 4.42Å
120Q95.8Very high94.3Very high76 Ų7645 Ų4536%0.35525%0.254SS..Hα-helixtrans-64.8-29.2176.4-65.4-77.412.400112.9A86 Q117 T118 G124A86-Q120 HydrophobicContact CB-CB 3.87Å; A86-Q120 HydrophobicContact CB-CG 4.1Å; Q117-Q120 HydrophobicContact CB-CG 4.22Å; Q117-Q120 VanDerWaalsContact O-CB 3.29Å; Q117-Q120 WeakPolarHBondContact O-CB 3.45Å; Q117-Q120 PolarHBondContact O-N 2.83Å; T118-Q120 PolarHBondContact O-N 2.92Å; Q120-G124 WeakPolarHBondContact O-CA 3.39Å; Q120-G124 PolarHBondContact O-N 2.82Å; Q120-G124 VanDerWaalsContact O-N 3.11Å
121R95.6Very high94.3Very high42 Ų4245.3 Ų45.316%0.15826%0.255CS..Hα-helixtrans-82.3-24.9175.4-172.8170.363-150.8-4.4112.1V85 T118 D119 S127 C130 I131 E150V85-R121 HydrophobicContact CG2-CB 4.07Å; T118-R121 WeakPolarHBondContact O-CB 3.39Å; T118-R121 PolarHBondContact O-N 3.23Å; D119-R121 PolarHBondContact O-N 2.74Å; R121-S127 WeakPolarHBondContact O-CB 3.43Å; R121-C130 HydrophobicContact CB-CB 3.64Å; R121-C130 HydrophobicContact CG-CB 3.64Å; R121-I131 PolarHBondContact NH1-O 3.23Å; R121-E150 IonicContact CZ-OE1 2.98Å; R121-E150 IonicContact CZ-OE2 3.33Å; R121-E150 IonicContact NH1-OE1 3.55Å; R121-E150 PolarHBondContact NH1-OE1 3.36Å; R121-E150 IonicContact NH2-OE1 3.83Å; R121-E150 PolarHBondContact NH2-OE1 3.43Å; R121-E150 IonicContact NH2-OE2 2.66Å; R121-E150 PolarHBondContact NH2-OE2 2.99Å
122D88.6Confident94.3Very high78 Ų7847.1 Ų47.142%0.41727%0.268SS..Hα-helixtrans-85.5-43.5-179.6-68.4-7.2000112.1T118 D119 R157T118-D122 PolarHBondContact O-N 2.87Å; D119-D122 PolarHBondContact O-N 3.33Å; D119-D122 VanDerWaalsContact O-N 3.11Å; D122-R157 IonicContact OD2-CZ 2.69Å; D122-R157 IonicContact OD2-NH1 3.88Å; D122-R157 PolarHBondContact OD2-NH1 3.16Å; D122-R157 IonicContact OD2-NH2 3.89Å; D122-R157 PolarHBondContact OD2-NH2 3.21Å
123T89.4Confident94.2Very high124 Ų12449.4 Ų49.476%0.76128%0.283SS*.THydrogen-bonded Turntrans-132.8-3.1-170.659.90000114D119D119-T123 PolarHBondContact O-N 2.66Å; D119-T123 PolarHBondContact O-OG1 2.89Å; D119-T123 VanDerWaalsContact O-OG1 3.13Å
124G84.8Confident94.2Very high9 Ų954.9 Ų54.99%0.09331%0.31CS..SBendtrans-73.1155.6-17900000113.3Q120 Y126 S127Q120-G124 WeakPolarHBondContact O-CA 3.39Å; Q120-G124 PolarHBondContact O-N 2.82Å; Q120-G124 VanDerWaalsContact O-N 3.11Å; G124-Y126 PolarHBondContact O-N 3.14Å; G124-Y126 VanDerWaalsContact O-N 3.13Å; G124-S127 WeakPolarHBondContact O-CB 3.38Å; G124-S127 PolarHBondContact O-N 2.88Å; G124-S127 PolarHBondContact O-OG 2.98Å
125P83.8Confident94.2Very high110 Ų11057.8 Ų57.871%0.71433%0.325SS*.THydrogen-bonded Turntrans-65.5-17.4-178.826.5-34.3000113.5
126Y88.8Confident94.2Very high173 Ų17357.8 Ų57.868%0.67833%0.325SS*.THydrogen-bonded Turntrans-117.231179.8-53.7-71000112G124 S128 S129 C130G124-Y126 PolarHBondContact O-N 3.14Å; G124-Y126 VanDerWaalsContact O-N 3.13Å; Y126-S128 VanDerWaalsContact C-N 3.29Å; Y126-S128 PolarHBondContact O-N 3.07Å; Y126-S129 PolarHBondContact O-N 2.76Å; Y126-C130 PolarHBondContact O-N 3.32Å; Y126-C130 PolarHBondContact O-SG 2.93Å
127S89.1Confident94.2Very high49 Ų4963.3 Ų63.334%0.34335%0.349SS..G310 helixtrans-53.2-42.3-177.252.50000113.6R121 G124 S129 C130R121-S127 WeakPolarHBondContact O-CB 3.43Å; G124-S127 WeakPolarHBondContact O-CB 3.38Å; G124-S127 PolarHBondContact O-N 2.88Å; G124-S127 PolarHBondContact O-OG 2.98Å; S127-S129 PolarHBondContact O-N 2.94Å; S127-C130 WeakPolarHBondContact O-CB 3.44Å; S127-C130 PolarHBondContact O-N 3.15Å; S127-C130 VanDerWaalsContact O-N 3.14Å
128S90Very high94.2Very high114 Ų11467.2 Ų67.280%0.79736%0.361SS*.G310 helixtrans-64.4-22.1178.859.10000114.1Y126Y126-S128 VanDerWaalsContact C-N 3.29Å; Y126-S128 PolarHBondContact O-N 3.07Å
129S93.6Very high94.2Very high65 Ų6567.5 Ų67.546%0.45536%0.363SS..G310 helixtrans-96.6-2.5180-56.40000112.1H88 Y126 S127H88-S129 PolarHBondContact CE1-O 2.88Å; H88-S129 PolarHBondContact NE2-O 3.41Å; Y126-S129 PolarHBondContact O-N 2.76Å; S127-S129 PolarHBondContact O-N 2.94Å
130C97.5Very high94.3Very high17 Ų1766.7 Ų66.712%0.11536%0.359CS..SBendtrans-72.1148.7178.8-69.30000111.3V85 R121 Y126 S127 S132V85-C130 HydrophobicContact CB-CB 4.36Å; V85-C130 HydrophobicContact CG2-CB 4.35Å; V85-C130 CarbonylContact O-C 3.47Å; V85-C130 VanDerWaalsContact O-CA 3.26Å; V85-C130 WeakPolarHBondContact O-CA 3.34Å; V85-C130 WeakPolarHBondContact O-CB 3.33Å; R121-C130 HydrophobicContact CB-CB 3.64Å; R121-C130 HydrophobicContact CG-CB 3.64Å; Y126-C130 PolarHBondContact O-N 3.32Å; Y126-C130 PolarHBondContact O-SG 2.93Å; S127-C130 WeakPolarHBondContact O-CB 3.44Å; S127-C130 PolarHBondContact O-N 3.15Å; S127-C130 VanDerWaalsContact O-N 3.14Å; C130-S132 PolarHBondContact O-N 3.01Å
131I98.2Very high94.5Very high12 Ų1270 Ų706%0.06238%0.375CS..PPolyproline II helixtrans-57130.4175.8-60-60.7000109.7Y83 V85 H88 F91 R121 D135Y83-I131 HydrophobicContact CE2-CB 4Å; Y83-I131 HydrophobicContact CE2-CG1 4.2Å; Y83-I131 HydrophobicContact CE2-CG2 3.89Å; V85-I131 PolarHBondContact O-N 2.93Å; H88-I131 WeakPolarHBondContact CD2-CD1 3.49Å; F91-I131 HydrophobicContact CB-CD1 4.31Å; F91-I131 HydrophobicContact CB-CG1 4.08Å; F91-I131 HydrophobicContact CD1-CD1 3.91Å; F91-I131 HydrophobicContact CD1-CG1 4.38Å; F91-I131 HydrophobicContact CD1-CG2 4.46Å; F91-I131 HydrophobicContact CD2-CG2 3.97Å; F91-I131 HydrophobicContact CE1-CD1 4.46Å; F91-I131 HydrophobicContact CE1-CG2 4.44Å; F91-I131 HydrophobicContact CE2-CG2 3.94Å; F91-I131 HydrophobicContact CG-CD1 4.15Å; F91-I131 HydrophobicContact CG-CG1 4.1Å; F91-I131 HydrophobicContact CG-CG2 4.22Å; F91-I131 HydrophobicContact CZ-CG2 4.17Å; R121-I131 PolarHBondContact NH1-O 3.23Å; I131-D135 HydrophobicContact CG2-CB 4.12Å
132S97.9Very high94.6Very high37 Ų3772.3 Ų72.326%0.25939%0.39SS..PPolyproline II helixtrans-75.8154.9-178.4810000112C130 M134 D135 G136C130-S132 PolarHBondContact O-N 3.01Å; S132-M134 PolarHBondContact O-N 3.33Å; S132-M134 PolarHBondContact OG-N 3.23Å; S132-D135 PolarHBondContact O-N 2.98Å; S132-D135 PolarHBondContact OG-N 2.84Å; S132-D135 VanDerWaalsContact OG-N 3.1Å; S132-D135 PolarHBondContact OG-OD2 2.7Å; S132-G136 PolarHBondContact O-N 3.3Å; S132-G136 VanDerWaalsContact O-N 3.08Å
133P98.3Very high95Very high49 Ų4969.2 Ų69.232%0.31837%0.374SS..Hα-helixtrans-59.1-28.5171.3-23.633.7000113K137 Y148 E150P133-K137 WeakPolarHBondContact O-CB 3.42Å; P133-K137 VanDerWaalsContact O-CG 3.26Å; P133-K137 WeakPolarHBondContact O-CG 3.26Å; P133-K137 PolarHBondContact O-N 3.15Å; P133-Y148 HydrophobicContact CB-CE1 4.48Å; P133-E150 WeakPolarHBondContact CG-OE2 3.47Å
134M98.4Very high95.4Very high114 Ų11473.5 Ų73.556%0.56238%0.376SS*.Hα-helixtrans-67.7-44.7178.2-173.3176.9-65.700111.1S132 K137 R138S132-M134 PolarHBondContact O-N 3.33Å; S132-M134 PolarHBondContact OG-N 3.23Å; M134-K137 PolarHBondContact O-N 3.09Å; M134-R138 WeakPolarHBondContact O-CG 3.47Å; M134-R138 PolarHBondContact O-N 3.34Å; M134-R138 PolarHBondContact SD-NH2 2.72Å; M134-R138 VanDerWaalsContact SD-NH2 3.45Å
135D98.4Very high96.1Very high61 Ų6174 Ų7433%0.32638%0.38SS..Hα-helixtrans-68-39.8178.2-59.7-44.6000111.4F91 I131 S132 K137 R138 L139F91-D135 HydrophobicContact CZ-CB 4.14Å; I131-D135 HydrophobicContact CG2-CB 4.12Å; S132-D135 PolarHBondContact O-N 2.98Å; S132-D135 PolarHBondContact OG-N 2.84Å; S132-D135 VanDerWaalsContact OG-N 3.1Å; S132-D135 PolarHBondContact OG-OD2 2.7Å; D135-K137 PolarHBondContact O-N 3.15Å; D135-R138 PolarHBondContact O-N 3.12Å; D135-R138 IonicContact OD1-NH1 3.74Å; D135-L139 WeakPolarHBondContact O-CB 3.43Å; D135-L139 PolarHBondContact O-N 3.42Å
136G98.5Very high96.8Very high0 Ų073.8 Ų73.80%037%0.367CS..Hα-helixtrans-56.2-47.3172.100000113.1S132 L139 A140 Y148S132-G136 PolarHBondContact O-N 3.3Å; S132-G136 VanDerWaalsContact O-N 3.08Å; G136-L139 PolarHBondContact O-N 2.93Å; G136-A140 WeakPolarHBondContact O-CB 3.44Å; G136-A140 PolarHBondContact O-N 2.59Å; G136-Y148 VanDerWaalsContact C-CD2 3.48Å; G136-Y148 VanDerWaalsContact C-CE2 3.46Å; G136-Y148 WeakPolarHBondContact O-CD2 3.14Å
137K98.7Very high97.2Very high120 Ų12066.2 Ų66.252%0.52234%0.342SS..Hα-helixtrans-63.3-43.4175.7-74172.6-175.5177.10112.5P133 M134 D135 A140 Q141 Y148P133-K137 WeakPolarHBondContact O-CB 3.42Å; P133-K137 VanDerWaalsContact O-CG 3.26Å; P133-K137 WeakPolarHBondContact O-CG 3.26Å; P133-K137 PolarHBondContact O-N 3.15Å; M134-K137 PolarHBondContact O-N 3.09Å; D135-K137 PolarHBondContact O-N 3.15Å; K137-A140 PolarHBondContact O-N 3.26Å; K137-Q141 WeakPolarHBondContact O-CG 3.44Å; K137-Q141 PolarHBondContact O-N 2.85Å; K137-Q141 VanDerWaalsContact O-N 3.08Å; K137-Y148 HydrophobicContact CB-CD1 4.49Å; K137-Y148 HydrophobicContact CD-CD1 4.43Å; K137-Y148 HydrophobicContact CG-CD1 3.43Å; K137-Y148 VanDerWaalsContact CG-CD1 3.43Å; K137-Y148 HydrophobicContact CG-CE1 3.97Å; K137-Y148 HydrophobicContact CG-CG 3.95Å
138R98.7Very high97.7Very high134 Ų13465.6 Ų65.651%0.50633%0.332SS..Hα-helixtrans-60.4-48.8176.5-75.2173.2179.2170.1-2.2111.1M134 D135 A140 Q141 D142M134-R138 WeakPolarHBondContact O-CG 3.47Å; M134-R138 PolarHBondContact O-N 3.34Å; M134-R138 PolarHBondContact SD-NH2 2.72Å; M134-R138 VanDerWaalsContact SD-NH2 3.45Å; D135-R138 PolarHBondContact O-N 3.12Å; D135-R138 IonicContact OD1-NH1 3.74Å; R138-A140 VanDerWaalsContact C-N 3.31Å; R138-A140 PolarHBondContact O-N 3.35Å; R138-Q141 WeakPolarHBondContact O-CB 3.25Å; R138-Q141 PolarHBondContact O-N 3.28Å; R138-Q141 VanDerWaalsContact O-N 3.13Å; R138-D142 PolarHBondContact O-N 3.21Å
139L98.5Very high98.1Very high11 Ų1161.3 Ų61.36%0.05830%0.3CS..Hα-helixtrans-61.1-41.1177.3-178.1144.1000111.7F91 L94 V113 D135 G136 Q141 D142 V143F91-L139 HydrophobicContact CD1-CD1 4.34Å; F91-L139 HydrophobicContact CD2-CD1 3.97Å; F91-L139 HydrophobicContact CE1-CD1 3.93Å; F91-L139 HydrophobicContact CE2-CB 3.7Å; F91-L139 HydrophobicContact CE2-CD1 3.53Å; F91-L139 HydrophobicContact CE2-CD2 4.37Å; F91-L139 HydrophobicContact CE2-CG 4.05Å; F91-L139 HydrophobicContact CG-CD1 4.37Å; F91-L139 HydrophobicContact CZ-CB 3.62Å; F91-L139 HydrophobicContact CZ-CD1 3.52Å; F91-L139 HydrophobicContact CZ-CG 4.15Å; L94-L139 HydrophobicContact CB-CD1 4.28Å; L94-L139 HydrophobicContact CB-CD2 3.89Å; L94-L139 HydrophobicContact CD1-CD2 3.68Å; L94-L139 HydrophobicContact CG-CD2 4.44Å; V113-L139 HydrophobicContact CG1-CD2 4.42Å; V113-L139 HydrophobicContact CG2-CD2 4.24Å; D135-L139 WeakPolarHBondContact O-CB 3.43Å; D135-L139 PolarHBondContact O-N 3.42Å; G136-L139 PolarHBondContact O-N 2.93Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; L139-Q141 PolarHBondContact O-N 3.5Å; L139-D142 WeakPolarHBondContact O-CB 3.4Å; L139-D142 PolarHBondContact O-N 3.48Å; L139-V143 HydrophobicContact CD2-CG1 4.23Å; L139-V143 HydrophobicContact CD2-CG2 4.38Å; L139-V143 HydrophobicContact CG-CG1 4.41Å; L139-V143 WeakPolarHBondContact O-CG2 3.4Å; L139-V143 PolarHBondContact O-N 2.98Å
140A98.6Very high98.3Very high6 Ų660.8 Ų60.85%0.0529%0.291CS..Hα-helixtrans-59.6-38.5176.600000112.4V113 G136 K137 R138 R144 A145 Y148V113-A140 HydrophobicContact CB-CB 3.98Å; V113-A140 HydrophobicContact CG2-CB 3.88Å; G136-A140 WeakPolarHBondContact O-CB 3.44Å; G136-A140 PolarHBondContact O-N 2.59Å; K137-A140 PolarHBondContact O-N 3.26Å; R138-A140 VanDerWaalsContact C-N 3.31Å; R138-A140 PolarHBondContact O-N 3.35Å; A140-R144 PolarHBondContact O-N 3.17Å; A140-A145 HydrophobicContact CB-CB 4.19Å; A140-A145 WeakPolarHBondContact O-CB 3.08Å; A140-A145 PolarHBondContact O-N 3.06Å; A140-Y148 HydrophobicContact CB-CD2 4.41Å
141Q98.4Very high98.4Very high145 Ų14560.1 Ų60.168%0.67829%0.286SS*.Hα-helixtrans-66.4-46.9173.3-68.7172.4-9.200111.4K137 R138 L139 V143 R144K137-Q141 WeakPolarHBondContact O-CG 3.44Å; K137-Q141 PolarHBondContact O-N 2.85Å; K137-Q141 VanDerWaalsContact O-N 3.08Å; R138-Q141 WeakPolarHBondContact O-CB 3.25Å; R138-Q141 PolarHBondContact O-N 3.28Å; R138-Q141 VanDerWaalsContact O-N 3.13Å; L139-Q141 VanDerWaalsContact C-N 3.28Å; L139-Q141 PolarHBondContact O-N 3.5Å; Q141-V143 VanDerWaalsContact C-N 3.31Å; Q141-V143 PolarHBondContact O-N 3.14Å; Q141-R144 WeakPolarHBondContact O-CA 3.39Å; Q141-R144 PolarHBondContact O-N 3.18Å
142D98Very high98.4Very high91 Ų9159.5 Ų59.549%0.48728%0.283SS..Hα-helixtrans-58.8-40.8-178.8-72.7-11.7000112.6R95 R138 L139 R144R95-D142 IonicContact CZ-OD2 2.74Å; R95-D142 IonicContact NH1-OD2 3.35Å; R95-D142 VanDerWaalsContact NH2-CB 3.32Å; R95-D142 IonicContact NH2-OD2 2.76Å; R95-D142 PolarHBondContact NH2-OD2 3.04Å; R138-D142 PolarHBondContact O-N 3.21Å; L139-D142 WeakPolarHBondContact O-CB 3.4Å; L139-D142 PolarHBondContact O-N 3.48Å; D142-R144 PolarHBondContact O-N 3.42Å
143V97.8Very high98.4Very high13 Ų1358.2 Ų58.28%0.07927%0.274CS..THydrogen-bonded Turntrans-85.55.3177.5-54.50000113.2M81 I99 V113 L139 Q141 A145M81-V143 HydrophobicContact CE-CG2 3.95Å; I99-V143 HydrophobicContact CB-CB 4.34Å; I99-V143 HydrophobicContact CB-CG1 4.39Å; I99-V143 HydrophobicContact CD1-CB 4.21Å; I99-V143 HydrophobicContact CG1-CB 3.97Å; I99-V143 HydrophobicContact CG2-CG1 4.25Å; V113-V143 HydrophobicContact CG2-CG2 4.06Å; L139-V143 HydrophobicContact CD2-CG1 4.23Å; L139-V143 HydrophobicContact CD2-CG2 4.38Å; L139-V143 HydrophobicContact CG-CG1 4.41Å; L139-V143 WeakPolarHBondContact O-CG2 3.4Å; L139-V143 PolarHBondContact O-N 2.98Å; Q141-V143 VanDerWaalsContact C-N 3.31Å; Q141-V143 PolarHBondContact O-N 3.14Å; V143-A145 VanDerWaalsContact C-N 3.27Å; V143-A145 HydrophobicContact CG2-CB 4.05Å; V143-A145 PolarHBondContact O-N 2.62Å
144R98Very high98.2Very high214 Ų21460.1 Ų60.181%0.80828%0.282SS*.THydrogen-bonded Turntrans55.538.1-179.1-54179.2-179.2-179-0.5113.2A140 Q141 D142A140-R144 PolarHBondContact O-N 3.17Å; Q141-R144 WeakPolarHBondContact O-CA 3.39Å; Q141-R144 PolarHBondContact O-N 3.18Å; D142-R144 PolarHBondContact O-N 3.42Å
145A98.4Very high98Very high19 Ų1957.8 Ų57.816%0.15728%0.276CS..  trans-66.6157.6171.400000111.1V111 V113 A140 V143 G147V111-A145 CarbonylContact O-C 3.57Å; V111-A145 WeakPolarHBondContact O-CA 3.5Å; V111-A145 WeakPolarHBondContact O-CB 3.3Å; V113-A145 HydrophobicContact CG2-CB 3.85Å; A140-A145 HydrophobicContact CB-CB 4.19Å; A140-A145 WeakPolarHBondContact O-CB 3.08Å; A140-A145 PolarHBondContact O-N 3.06Å; V143-A145 VanDerWaalsContact C-N 3.27Å; V143-A145 HydrophobicContact CG2-CB 4.05Å; V143-A145 PolarHBondContact O-N 2.62Å; A145-G147 VanDerWaalsContact C-N 3.32Å
146K98.3Very high97.9Very high106 Ų10658.9 Ų58.946%0.46128%0.282SS..SBendtrans-84.5-7.2177.7-67-54.2-171.9-170.70113.7P110 V111 L112 Y165 T169P110-K146 HydrophobicContact CB-CB 4.47Å; P110-K146 HydrophobicContact CB-CG 3.66Å; V111-K146 PolarHBondContact O-N 3.49Å; L112-K146 HydrophobicContact CD2-CB 3.89Å; K146-Y165 PolarHBondContact O-OH 3.15Å; K146-T169 HydrophobicContact CB-CG2 3.98Å; K146-T169 HydrophobicContact CG-CG2 4.22Å
147G98Very high97.9Very high14 Ų1465.5 Ų65.514%0.14431%0.307CS..  trans-178.9163.1-17900000111.4V113 A145V113-G147 PolarHBondContact N-O 3.11Å; A145-G147 VanDerWaalsContact C-N 3.32Å
148Y98.8Very high97.9Very high36 Ų3660.5 Ų60.514%0.14129%0.289CS..EExtended strand (participates in β ladder)trans-126.3127172.1171.8-101.7000107.7Y83 V113 A115 P133 G136 K137 A140 E150Y83-Y148 HydrophobicContact CE1-CE2 4.15Å; Y83-Y148 PolarHBondContact OH-OH 2.96Å; V113-Y148 HydrophobicContact CB-CD2 4.14Å; V113-Y148 HydrophobicContact CG1-CD2 3.8Å; V113-Y148 HydrophobicContact CG1-CE2 4.17Å; V113-Y148 WeakPolarHBondContact O-CA 3.18Å; A115-Y148 HydrophobicContact CB-CE2 4.04Å; P133-Y148 HydrophobicContact CB-CE1 4.48Å; G136-Y148 VanDerWaalsContact C-CD2 3.48Å; G136-Y148 VanDerWaalsContact C-CE2 3.46Å; G136-Y148 WeakPolarHBondContact O-CD2 3.14Å; K137-Y148 HydrophobicContact CB-CD1 4.49Å; K137-Y148 HydrophobicContact CD-CD1 4.43Å; K137-Y148 HydrophobicContact CG-CD1 3.43Å; K137-Y148 VanDerWaalsContact CG-CD1 3.43Å; K137-Y148 HydrophobicContact CG-CE1 3.97Å; K137-Y148 HydrophobicContact CG-CG 3.95Å; A140-Y148 HydrophobicContact CB-CD2 4.41Å; Y148-E150 HydrophobicContact CD1-CG 4.41Å; Y148-E150 HydrophobicContact CE1-CG 3.46Å; Y148-E150 VanDerWaalsContact CE1-CG 3.46Å; Y148-E150 VanDerWaalsContact OH-CD 3.27Å; Y148-E150 WeakPolarHBondContact OH-CG 3.29Å; Y148-E150 PolarHBondContact OH-OE1 2.81Å
149L98.8Very high97.8Very high24 Ų2454.1 Ų54.113%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-129.7155.4179.4-61.9122.6000109.7L112 V113 V114 A115 V162 Y165L112-L149 HydrophobicContact CB-CD1 4.2Å; L112-L149 HydrophobicContact CD1-CD1 4.04Å; V113-L149 PolarHBondContact O-N 3.02Å; V114-L149 CarbonylContact C-O 3.51Å; V114-L149 WeakPolarHBondContact CA-O 3.26Å; A115-L149 PolarHBondContact N-O 2.82Å; L149-V162 HydrophobicContact CB-CG2 3.88Å; L149-Y165 HydrophobicContact CD1-CD1 4.03Å; L149-Y165 HydrophobicContact CD1-CG 4.12Å; L149-Y165 HydrophobicContact CD2-CD2 4.32Å; L149-Y165 HydrophobicContact CD2-CG 4.04Å
150E98.8Very high97.7Very high54 Ų5460 Ų6025%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-128.9138.9178.6-65-153.3115.100109.4A115 T118 R121 P133 Y148A115-E150 HydrophobicContact CB-CG 3.92Å; A115-E150 CarbonylContact O-C 3.55Å; A115-E150 WeakPolarHBondContact O-CA 3.37Å; T118-E150 HydrophobicContact CG2-CB 3.95Å; R121-E150 IonicContact CZ-OE1 2.98Å; R121-E150 IonicContact CZ-OE2 3.33Å; R121-E150 IonicContact NH1-OE1 3.55Å; R121-E150 PolarHBondContact NH1-OE1 3.36Å; R121-E150 IonicContact NH2-OE1 3.83Å; R121-E150 PolarHBondContact NH2-OE1 3.43Å; R121-E150 IonicContact NH2-OE2 2.66Å; R121-E150 PolarHBondContact NH2-OE2 2.99Å; P133-E150 WeakPolarHBondContact CG-OE2 3.47Å; Y148-E150 HydrophobicContact CD1-CG 4.41Å; Y148-E150 HydrophobicContact CE1-CG 3.46Å; Y148-E150 VanDerWaalsContact CE1-CG 3.46Å; Y148-E150 VanDerWaalsContact OH-CD 3.27Å; Y148-E150 WeakPolarHBondContact OH-CG 3.29Å; Y148-E150 PolarHBondContact OH-OE1 2.81Å
151C98.6Very high97.6Very high2 Ų264.5 Ų64.51%0.01431%0.313CS..  trans-147.8158.5178.365.90000113L20 A115 T116 Q117 T118 R157 V159 V162L20-C151 HydrophobicContact CD1-CB 4.46Å; A115-C151 PolarHBondContact O-N 2.9Å; T116-C151 CarbonylContact C-O 3.46Å; T116-C151 WeakPolarHBondContact CA-O 3.48Å; Q117-C151 PolarHBondContact N-O 2.86Å; T118-C151 WeakPolarHBondContact CG2-O 3.34Å; T118-C151 PolarHBondContact N-O 2.86Å; T118-C151 PolarHBondContact OG1-O 3.14Å; C151-R157 CarbonylContact C-O 3.52Å; C151-R157 WeakPolarHBondContact CA-O 3.26Å; C151-R157 WeakPolarHBondContact CB-O 3.36Å; C151-V159 HydrophobicContact CB-CG2 4.44Å; C151-V162 HydrophobicContact CB-CG2 4.06Å
152S98.2Very high97.7Very high0 Ų057.6 Ų57.60%028%0.28CS..BIsolated β-bridgetrans-126.2115.81631720000108.1T118 D119 L154 S155 N156 R157T118-S152 WeakPolarHBondContact OG1-CB 3.32Å; T118-S152 PolarHBondContact OG1-N 2.94Å; D119-S152 VanDerWaalsContact CG-OG 3.31Å; D119-S152 VanDerWaalsContact OD1-CB 3.26Å; D119-S152 WeakPolarHBondContact OD1-CB 3.43Å; D119-S152 PolarHBondContact OD1-OG 3.04Å; S152-L154 PolarHBondContact OG-N 3.11Å; S152-S155 WeakPolarHBondContact CB-OG 3.29Å; S152-S155 PolarHBondContact OG-N 2.86Å; S152-S155 PolarHBondContact OG-OG 3.11Å; S152-N156 CarbonylContact O-C 3.54Å; S152-N156 WeakPolarHBondContact O-CA 3.45Å; S152-N156 PolarHBondContact O-N 3.34Å; S152-N156 VanDerWaalsContact O-N 3.07Å; S152-R157 PolarHBondContact N-O 3.3Å; S152-R157 PolarHBondContact O-N 3.13Å
153A97.3Very high97.6Very high9 Ų953.4 Ų53.47%0.07426%0.258CS..THydrogen-bonded Turntrans-67.1-30.6170.200000111.1S19 R23 F29S19-A153 WeakPolarHBondContact O-CB 2.87Å; R23-A153 HydrophobicContact CB-CB 4.08Å; R23-A153 PolarHBondContact NE-O 3.18Å; R23-A153 PolarHBondContact NH2-O 3.3Å; F29-A153 HydrophobicContact CD2-CB 4.07Å; F29-A153 WeakPolarHBondContact CD2-O 3.49Å; F29-A153 HydrophobicContact CE2-CB 3.94Å
154L95.3Very high97.5Very high90 Ų9056.3 Ų56.347%0.47127%0.27SS..THydrogen-bonded Turntrans-64.9-54.4179.5-179.662.1000110.8R23 F29 D119 S152 N156R23-L154 PolarHBondContact NH2-O 3Å; F29-L154 HydrophobicContact CD1-CD1 4.08Å; F29-L154 HydrophobicContact CD2-CB 4.41Å; F29-L154 HydrophobicContact CD2-CD1 4.48Å; F29-L154 HydrophobicContact CE1-CD1 4.08Å; F29-L154 HydrophobicContact CE2-CB 4.07Å; F29-L154 HydrophobicContact CE2-CD1 4.46Å; F29-L154 HydrophobicContact CG-CD1 4.28Å; F29-L154 HydrophobicContact CZ-CB 4.38Å; F29-L154 HydrophobicContact CZ-CD1 4.26Å; D119-L154 HydrophobicContact CB-CD2 4.42Å; S152-L154 PolarHBondContact OG-N 3.11Å; L154-N156 VanDerWaalsContact C-N 3.29Å; L154-N156 PolarHBondContact O-N 2.95Å
155S95Very high97.5Very high64 Ų6450.4 Ų50.445%0.44825%0.249SC..THydrogen-bonded Turntrans-87.97.1-178.481.90000113.9S152 R157S152-S155 WeakPolarHBondContact CB-OG 3.29Å; S152-S155 PolarHBondContact OG-N 2.86Å; S152-S155 PolarHBondContact OG-OG 3.11Å; S155-R157 PolarHBondContact O-N 3.27Å; S155-R157 VanDerWaalsContact O-N 3.15Å; S155-R157 WeakPolarHBondContact OG-CB 3.21Å
156N96.3Very high97.5Very high84 Ų8449.5 Ų49.545%0.44924%0.241SC..THydrogen-bonded Turntrans49.135.2-172.8-162.125000114.5R23 S152 L154R23-N156 HydrophobicContact CG-CB 4.42Å; R23-N156 WeakPolarHBondContact CG-OD1 3.47Å; S152-N156 CarbonylContact O-C 3.54Å; S152-N156 WeakPolarHBondContact O-CA 3.45Å; S152-N156 PolarHBondContact O-N 3.34Å; S152-N156 VanDerWaalsContact O-N 3.07Å; L154-N156 VanDerWaalsContact C-N 3.29Å; L154-N156 PolarHBondContact O-N 2.95Å
157R97.8Very high97.5Very high140 Ų14044.6 Ų44.653%0.52822%0.22SC..BIsolated β-bridgetrans-96.4131.8179.1-168.9-170.5-65.1164.86.7110D122 C151 S152 S155 V159D122-R157 IonicContact OD2-CZ 2.69Å; D122-R157 IonicContact OD2-NH1 3.88Å; D122-R157 PolarHBondContact OD2-NH1 3.16Å; D122-R157 IonicContact OD2-NH2 3.89Å; D122-R157 PolarHBondContact OD2-NH2 3.21Å; C151-R157 CarbonylContact C-O 3.52Å; C151-R157 WeakPolarHBondContact CA-O 3.26Å; C151-R157 WeakPolarHBondContact CB-O 3.36Å; S152-R157 PolarHBondContact N-O 3.3Å; S152-R157 PolarHBondContact O-N 3.13Å; S155-R157 PolarHBondContact O-N 3.27Å; S155-R157 VanDerWaalsContact O-N 3.15Å; S155-R157 WeakPolarHBondContact OG-CB 3.21Å; R157-V159 PolarHBondContact O-N 3.28Å; R157-V159 VanDerWaalsContact O-N 3.14Å
158G97.7Very high97.4Very high14 Ų1448.3 Ų48.314%0.14423%0.23CC..SBendtrans75.5-5.317300000115.1Q161 V162G158-Q161 PolarHBondContact O-N 2.52Å; G158-Q161 PolarHBondContact O-OE1 2.62Å; G158-V162 WeakPolarHBondContact O-CG2 3.3Å; G158-V162 PolarHBondContact O-N 3.41Å; G158-V162 VanDerWaalsContact O-N 3.08Å
159V97.9Very high97.3Very high1 Ų147.4 Ų47.41%0.00623%0.228CC..Hα-helixtrans-62.7-53.6-173.71720000111.1L20 R23 F24 C151 R157 Q161 V162 F163L20-V159 HydrophobicContact CD1-CB 4.2Å; L20-V159 HydrophobicContact CD1-CG1 3.87Å; L20-V159 HydrophobicContact CD1-CG2 3.93Å; R23-V159 HydrophobicContact CB-CG1 4.43Å; R23-V159 HydrophobicContact CG-CB 4.45Å; R23-V159 HydrophobicContact CG-CG1 4.12Å; R23-V159 HydrophobicContact CG-CG2 3.98Å; F24-V159 HydrophobicContact CB-CG1 3.73Å; F24-V159 HydrophobicContact CD2-CG1 4.36Å; C151-V159 HydrophobicContact CB-CG2 4.44Å; R157-V159 PolarHBondContact O-N 3.28Å; R157-V159 VanDerWaalsContact O-N 3.14Å; V159-Q161 VanDerWaalsContact C-N 3.29Å; V159-Q161 PolarHBondContact O-N 3.04Å; V159-V162 PolarHBondContact O-N 2.94Å; V159-F163 HydrophobicContact CG1-CE2 4.34Å; V159-F163 VanDerWaalsContact O-CD2 3.26Å; V159-F163 WeakPolarHBondContact O-CD2 3.42Å
160Q95.9Very high97.2Very high135 Ų13546.3 Ų46.363%0.63122%0.223SC*.Hα-helixtrans-60.6-40.2178.3-171.6178.63.900111.8V162 F163 E164Q160-V162 VanDerWaalsContact C-N 3.31Å; Q160-V162 PolarHBondContact O-N 3.36Å; Q160-F163 PolarHBondContact O-N 3.25Å; Q160-E164 WeakPolarHBondContact O-CB 3.5Å; Q160-E164 PolarHBondContact O-N 2.56Å
161Q97.6Very high97Very high100 Ų10044.4 Ų44.447%0.46721%0.214SC..Hα-helixtrans-63.9-34.7-178.8-66.179.25.500112.3G158 V159 Y165G158-Q161 PolarHBondContact O-N 2.52Å; G158-Q161 PolarHBondContact O-OE1 2.62Å; V159-Q161 VanDerWaalsContact C-N 3.29Å; V159-Q161 PolarHBondContact O-N 3.04Å; Q161-Y165 VanDerWaalsContact O-CB 3.29Å; Q161-Y165 WeakPolarHBondContact O-CB 3.3Å; Q161-Y165 PolarHBondContact O-N 3.24Å
162V98.6Very high96.7Very high0 Ų048.1 Ų48.10%023%0.234CC..Hα-helixtrans-58.8-50.2174.5168.70000110.8L20 L80 V114 L149 C151 G158 V159 Q160 Y165 A166L20-V162 HydrophobicContact CD2-CG1 4.29Å; L80-V162 HydrophobicContact CD1-CG1 3.64Å; L80-V162 HydrophobicContact CD2-CG1 4.19Å; V114-V162 HydrophobicContact CG1-CG1 4.28Å; V114-V162 HydrophobicContact CG1-CG2 3.92Å; V114-V162 HydrophobicContact CG2-CG1 4.04Å; L149-V162 HydrophobicContact CB-CG2 3.88Å; C151-V162 HydrophobicContact CB-CG2 4.06Å; G158-V162 WeakPolarHBondContact O-CG2 3.3Å; G158-V162 PolarHBondContact O-N 3.41Å; G158-V162 VanDerWaalsContact O-N 3.08Å; V159-V162 PolarHBondContact O-N 2.94Å; Q160-V162 VanDerWaalsContact C-N 3.31Å; Q160-V162 PolarHBondContact O-N 3.36Å; V162-Y165 PolarHBondContact O-N 3.03Å; V162-A166 WeakPolarHBondContact O-CB 3.42Å; V162-A166 PolarHBondContact O-N 3.22Å
163F97.5Very high96.5Very high3 Ų349.9 Ų49.91%0.01324%0.243CC..Hα-helixtrans-75-35.7-177.2-65.5-77.5000112.6L20 L21 F24 L54 L56 L80 V159 Q160 Y165 A166 V167L20-F163 HydrophobicContact CD1-CE2 3.87Å; L20-F163 HydrophobicContact CD1-CZ 4.43Å; L20-F163 HydrophobicContact CD2-CE2 4.46Å; L20-F163 HydrophobicContact CD2-CZ 4.31Å; L20-F163 HydrophobicContact CG-CE2 3.86Å; L20-F163 HydrophobicContact CG-CZ 3.91Å; L21-F163 HydrophobicContact CD2-CE1 3.9Å; L21-F163 HydrophobicContact CD2-CZ 3.79Å; F24-F163 HydrophobicContact CB-CD2 3.74Å; F24-F163 HydrophobicContact CB-CE2 3.4Å; F24-F163 VanDerWaalsContact CB-CE2 3.4Å; F24-F163 HydrophobicContact CB-CZ 4.13Å; F24-F163 HydrophobicContact CD1-CB 4.47Å; F24-F163 HydrophobicContact CD1-CD1 4.09Å; F24-F163 AromaticContact CD1-CD2 3.64Å; F24-F163 HydrophobicContact CD1-CD2 3.64Å; F24-F163 HydrophobicContact CD1-CE1 4.25Å; F24-F163 AromaticContact CD1-CE2 3.83Å; F24-F163 HydrophobicContact CD1-CE2 3.83Å; F24-F163 AromaticContact CD1-CG 3.79Å; F24-F163 HydrophobicContact CD1-CG 3.79Å; F24-F163 HydrophobicContact CD1-CZ 4.12Å; F24-F163 HydrophobicContact CD2-CB 4.19Å; F24-F163 AromaticContact CD2-CD2 3.36Å; F24-F163 HydrophobicContact CD2-CD2 3.36Å; F24-F163 HydrophobicContact CD2-CE2 4Å; F24-F163 AromaticContact CD2-CG 3.95Å; F24-F163 HydrophobicContact CD2-CG 3.95Å; F24-F163 HydrophobicContact CE1-CB 4Å; F24-F163 HydrophobicContact CE1-CD1 4.07Å; F24-F163 HydrophobicContact CE1-CD2 4.04Å; F24-F163 AromaticContact CE1-CG 3.75Å; F24-F163 HydrophobicContact CE1-CG 3.75Å; F24-F163 HydrophobicContact CE2-CB 3.7Å; F24-F163 AromaticContact CE2-CD2 3.81Å; F24-F163 HydrophobicContact CE2-CD2 3.81Å; F24-F163 AromaticContact CE2-CG 3.93Å; F24-F163 HydrophobicContact CE2-CG 3.93Å; F24-F163 AromaticContact CG-CD2 3.27Å; F24-F163 HydrophobicContact CG-CD2 3.27Å; F24-F163 AromaticContact CG-CE2 3.47Å; F24-F163 HydrophobicContact CG-CE2 3.47Å; F24-F163 VanDerWaalsContact CG-CE2 3.47Å; F24-F163 AromaticContact CG-CG 3.88Å; F24-F163 HydrophobicContact CG-CG 3.88Å; F24-F163 HydrophobicContact CG-CZ 4.19Å; F24-F163 HydrophobicContact CZ-CB 3.59Å; F24-F163 HydrophobicContact CZ-CD2 4.12Å; F24-F163 AromaticContact CZ-CG 3.83Å; F24-F163 HydrophobicContact CZ-CG 3.83Å; L54-F163 HydrophobicContact CD2-CB 4.41Å; L54-F163 HydrophobicContact CD2-CD1 4.36Å; L56-F163 HydrophobicContact CD2-CD1 3.82Å; L56-F163 HydrophobicContact CD2-CE1 3.63Å; L80-F163 HydrophobicContact CD1-CD1 4.36Å; L80-F163 HydrophobicContact CD1-CE1 3.94Å; L80-F163 HydrophobicContact CD1-CZ 4.44Å; V159-F163 HydrophobicContact CG1-CE2 4.34Å; V159-F163 VanDerWaalsContact O-CD2 3.26Å; V159-F163 WeakPolarHBondContact O-CD2 3.42Å; Q160-F163 PolarHBondContact O-N 3.25Å; F163-Y165 PolarHBondContact O-N 2.86Å; F163-A166 WeakPolarHBondContact O-CB 3.23Å; F163-A166 PolarHBondContact O-N 3.04Å; F163-V167 VanDerWaalsContact O-CG2 3.31Å; F163-V167 WeakPolarHBondContact O-CG2 3.3Å; F163-V167 PolarHBondContact O-N 3.43Å
164E96.1Very high96.2Very high73 Ų7350.4 Ų50.434%0.34125%0.247SC..Hα-helixtrans-59.2-47.5171.4-168.7-163.5143.300110.8M47 Q160 A166 V167 R168M47-E164 HydrophobicContact CE-CB 4.4Å; M47-E164 HydrophobicContact CE-CG 3.61Å; M47-E164 VanDerWaalsContact CE-O 3.31Å; M47-E164 WeakPolarHBondContact CE-O 3.23Å; Q160-E164 WeakPolarHBondContact O-CB 3.5Å; Q160-E164 PolarHBondContact O-N 2.56Å; E164-A166 VanDerWaalsContact C-N 3.29Å; E164-A166 PolarHBondContact O-N 2.8Å; E164-V167 PolarHBondContact O-N 2.94Å; E164-R168 WeakPolarHBondContact O-CB 3.32Å; E164-R168 PolarHBondContact O-N 2.76Å; E164-R168 IonicContact OE1-CZ 3.2Å; E164-R168 IonicContact OE1-NH1 2.86Å; E164-R168 PolarHBondContact OE1-NH1 3.2Å; E164-R168 IonicContact OE1-NH2 2.72Å; E164-R168 PolarHBondContact OE1-NH2 3.46Å
165Y98Very high95.9Very high91 Ų9150.9 Ų50.936%0.35725%0.245SC..Hα-helixtrans-65.4-35.1178.3-159.5-79.2000111.7L112 K146 L149 Q161 V162 F163 T169L112-Y165 HydrophobicContact CD1-CD1 3.74Å; L112-Y165 HydrophobicContact CD1-CE1 4.49Å; L112-Y165 HydrophobicContact CD2-CD1 3.66Å; L112-Y165 HydrophobicContact CD2-CE1 3.56Å; L112-Y165 HydrophobicContact CG-CD1 4.37Å; K146-Y165 PolarHBondContact O-OH 3.15Å; L149-Y165 HydrophobicContact CD1-CD1 4.03Å; L149-Y165 HydrophobicContact CD1-CG 4.12Å; L149-Y165 HydrophobicContact CD2-CD2 4.32Å; L149-Y165 HydrophobicContact CD2-CG 4.04Å; Q161-Y165 VanDerWaalsContact O-CB 3.29Å; Q161-Y165 WeakPolarHBondContact O-CB 3.3Å; Q161-Y165 PolarHBondContact O-N 3.24Å; V162-Y165 PolarHBondContact O-N 3.03Å; F163-Y165 PolarHBondContact O-N 2.86Å; Y165-T169 WeakPolarHBondContact CD1-OG1 3.2Å; Y165-T169 WeakPolarHBondContact CE1-OG1 3.3Å; Y165-T169 WeakPolarHBondContact O-CB 3.35Å; Y165-T169 PolarHBondContact O-N 3.27Å; Y165-T169 PolarHBondContact O-OG1 3.27Å
166A98.1Very high95.5Very high0 Ų054.9 Ų54.90%025%0.25CS..Hα-helixtrans-61.7-51.8175.100000112.2V78 L80 L112 V162 F163 E164 T169 A170V78-A166 HydrophobicContact CG1-CB 4.1Å; V78-A166 HydrophobicContact CG2-CB 4.39Å; L80-A166 HydrophobicContact CD2-CB 4.03Å; L112-A166 HydrophobicContact CD1-CB 4.02Å; V162-A166 WeakPolarHBondContact O-CB 3.42Å; V162-A166 PolarHBondContact O-N 3.22Å; F163-A166 WeakPolarHBondContact O-CB 3.23Å; F163-A166 PolarHBondContact O-N 3.04Å; E164-A166 VanDerWaalsContact C-N 3.29Å; E164-A166 PolarHBondContact O-N 2.8Å; A166-T169 WeakPolarHBondContact O-CB 3.25Å; A166-T169 PolarHBondContact O-N 2.95Å; A166-A170 PolarHBondContact O-N 3.08Å
167V97Very high95Very high2 Ų254.5 Ų54.51%0.01225%0.246CC..Hα-helixtrans-59.2-50177.5169.90000110.2I5 V45 M47 I52 L54 F163 E164 T169 A170 V171I5-V167 HydrophobicContact CD1-CB 4.25Å; I5-V167 HydrophobicContact CD1-CG1 3.77Å; I5-V167 HydrophobicContact CD1-CG2 4.41Å; V45-V167 HydrophobicContact CG2-CG2 4.1Å; M47-V167 HydrophobicContact CB-CG1 4.41Å; M47-V167 HydrophobicContact CE-CB 3.61Å; M47-V167 HydrophobicContact CE-CG1 3.41Å; M47-V167 VanDerWaalsContact CE-CG1 3.41Å; M47-V167 HydrophobicContact SD-CB 4.29Å; M47-V167 HydrophobicContact SD-CG1 3.6Å; M47-V167 VanDerWaalsContact SD-CG1 3.6Å; I52-V167 HydrophobicContact CD1-CG1 3.69Å; L54-V167 HydrophobicContact CD1-CG2 4.07Å; L54-V167 HydrophobicContact CD2-CG2 3.93Å; L54-V167 HydrophobicContact CG-CG2 4.5Å; F163-V167 VanDerWaalsContact O-CG2 3.31Å; F163-V167 WeakPolarHBondContact O-CG2 3.3Å; F163-V167 PolarHBondContact O-N 3.43Å; E164-V167 PolarHBondContact O-N 2.94Å; V167-T169 VanDerWaalsContact C-N 3.27Å; V167-T169 PolarHBondContact O-N 3.33Å; V167-A170 PolarHBondContact O-N 2.91Å; V167-V171 HydrophobicContact CG1-CG2 4.46Å; V167-V171 WeakPolarHBondContact O-CG2 3.44Å; V167-V171 PolarHBondContact O-N 3Å
168R96.2Very high94.2Very high92 Ų9252.8 Ų52.835%0.34725%0.247SC..Hα-helixtrans-59.1-39.7178-173.5176.5-741321.1111.7M47 E164 N172M47-R168 HydrophobicContact CE-CB 4.26Å; M47-R168 HydrophobicContact SD-CB 3.91Å; E164-R168 WeakPolarHBondContact O-CB 3.32Å; E164-R168 PolarHBondContact O-N 2.76Å; E164-R168 IonicContact OE1-CZ 3.2Å; E164-R168 IonicContact OE1-NH1 2.86Å; E164-R168 PolarHBondContact OE1-NH1 3.2Å; E164-R168 IonicContact OE1-NH2 2.72Å; E164-R168 PolarHBondContact OE1-NH2 3.46Å; R168-N172 VanDerWaalsContact O-CB 3.27Å; R168-N172 WeakPolarHBondContact O-CB 3.48Å; R168-N172 PolarHBondContact O-N 2.68Å; R168-N172 PolarHBondContact O-ND2 3.19Å
169T97.4Very high93.3Very high17 Ų1760.8 Ų60.810%0.10427%0.273CS..Hα-helixtrans-65.2-45.7177.8-63.90000111.8P110 L112 K146 Y165 A166 V167 N172 Q173P110-T169 HydrophobicContact CB-CG2 3.53Å; P110-T169 HydrophobicContact CG-CG2 3.86Å; L112-T169 HydrophobicContact CD2-CG2 4.38Å; K146-T169 HydrophobicContact CB-CG2 3.98Å; K146-T169 HydrophobicContact CG-CG2 4.22Å; Y165-T169 WeakPolarHBondContact CD1-OG1 3.2Å; Y165-T169 WeakPolarHBondContact CE1-OG1 3.3Å; Y165-T169 WeakPolarHBondContact O-CB 3.35Å; Y165-T169 PolarHBondContact O-N 3.27Å; Y165-T169 PolarHBondContact O-OG1 3.27Å; A166-T169 WeakPolarHBondContact O-CB 3.25Å; A166-T169 PolarHBondContact O-N 2.95Å; V167-T169 VanDerWaalsContact C-N 3.27Å; V167-T169 PolarHBondContact O-N 3.33Å; T169-N172 PolarHBondContact O-N 3.03Å; T169-Q173 WeakPolarHBondContact O-CB 3.24Å; T169-Q173 PolarHBondContact O-N 3.06Å
170A96.4Very high92.2Very high2 Ų269.7 Ų69.72%0.01731%0.306CS..Hα-helixtrans-62.7-48.517700000111.9I5 D77 V78 A166 V167 N172 Q173 A174I5-A170 HydrophobicContact CD1-CB 4.01Å; I5-A170 HydrophobicContact CG1-CB 4.41Å; I5-A170 HydrophobicContact CG2-CB 3.86Å; D77-A170 HydrophobicContact CB-CB 4Å; V78-A170 HydrophobicContact CB-CB 4.23Å; V78-A170 HydrophobicContact CG1-CB 4.28Å; A166-A170 PolarHBondContact O-N 3.08Å; V167-A170 PolarHBondContact O-N 2.91Å; A170-N172 VanDerWaalsContact C-N 3.34Å; A170-N172 PolarHBondContact O-N 2.96Å; A170-Q173 WeakPolarHBondContact O-CB 3.24Å; A170-Q173 PolarHBondContact O-N 2.87Å; A170-Q173 VanDerWaalsContact O-N 3.15Å; A170-A174 PolarHBondContact O-N 2.85Å
171V93.9Very high91Very high13 Ų1369.7 Ų69.78%0.07930%0.304CS..Hα-helixtrans-58-46.1176.8171.30000111.3I5 I52 V167 Q173 A174 K175I5-V171 HydrophobicContact CD1-CG2 3.85Å; I52-V171 HydrophobicContact CD1-CG2 4.13Å; V167-V171 HydrophobicContact CG1-CG2 4.46Å; V167-V171 WeakPolarHBondContact O-CG2 3.44Å; V167-V171 PolarHBondContact O-N 3Å; V171-Q173 VanDerWaalsContact C-N 3.33Å; V171-Q173 PolarHBondContact O-N 3.35Å; V171-A174 PolarHBondContact O-N 2.76Å; V171-K175 HydrophobicContact CG1-CD 4.14Å; V171-K175 WeakPolarHBondContact O-CG 3.1Å; V171-K175 PolarHBondContact O-N 3.39Å
172N93.4Very high89.7Confident80 Ų8071.1 Ų71.143%0.42831%0.309SS..Hα-helixtrans-65.1-37.4178.7-75.9-24.3000112.2R168 T169 A170 R176R168-N172 VanDerWaalsContact O-CB 3.27Å; R168-N172 WeakPolarHBondContact O-CB 3.48Å; R168-N172 PolarHBondContact O-N 2.68Å; R168-N172 PolarHBondContact O-ND2 3.19Å; T169-N172 PolarHBondContact O-N 3.03Å; A170-N172 VanDerWaalsContact C-N 3.34Å; A170-N172 PolarHBondContact O-N 2.96Å; N172-R176 VanDerWaalsContact O-CG 3.26Å; N172-R176 WeakPolarHBondContact O-CG 3.5Å; N172-R176 PolarHBondContact O-N 2.67Å; N172-R176 VanDerWaalsContact O-N 3.1Å
173Q93.8Very high88.1Confident38 Ų3878.3 Ų78.318%0.17834%0.341CS..Hα-helixtrans-63.8-46.7175.2-179.171.3-5.600111.3R108 P110 T169 A170 V171 R176 Q177R108-Q173 PolarHBondContact O-NE2 3.16Å; P110-Q173 HydrophobicContact CG-CB 4.19Å; P110-Q173 HydrophobicContact CG-CG 4.22Å; T169-Q173 WeakPolarHBondContact O-CB 3.24Å; T169-Q173 PolarHBondContact O-N 3.06Å; A170-Q173 WeakPolarHBondContact O-CB 3.24Å; A170-Q173 PolarHBondContact O-N 2.87Å; A170-Q173 VanDerWaalsContact O-N 3.15Å; V171-Q173 VanDerWaalsContact C-N 3.33Å; V171-Q173 PolarHBondContact O-N 3.35Å; Q173-R176 PolarHBondContact O-N 3.05Å; Q173-Q177 WeakPolarHBondContact O-CG 3.29Å; Q173-Q177 PolarHBondContact O-N 3.13Å
174A90.5Very high86.5Confident19 Ų1982.2 Ų82.216%0.15737%0.368CS..Hα-helixtrans-62.2-43.9178.100000112.3L2 A170 V171 R176 Q177 N178L2-A174 HydrophobicContact CD1-CB 3.57Å; L2-A174 HydrophobicContact CD2-CB 4.38Å; L2-A174 HydrophobicContact CG-CB 3.81Å; A170-A174 PolarHBondContact O-N 2.85Å; V171-A174 PolarHBondContact O-N 2.76Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 3.2Å; A174-Q177 PolarHBondContact O-N 3.04Å; A174-N178 PolarHBondContact O-N 2.94Å
175K88.6Confident85Confident100 Ų10085.1 Ų85.144%0.43539%0.385SS..Hα-helixtrans-56.3-42.8173.7-74.7175.9179.7174.50111.8V171 R179V171-K175 HydrophobicContact CG1-CD 4.14Å; V171-K175 WeakPolarHBondContact O-CG 3.1Å; V171-K175 PolarHBondContact O-N 3.39Å; K175-R179 WeakPolarHBondContact O-CG 3.49Å; K175-R179 PolarHBondContact O-N 3.24Å; K175-R179 VanDerWaalsContact O-N 3.1Å
176R87.4Confident83.1Confident148 Ų14885 Ų8556%0.55839%0.39SS*.Hα-helixtrans-66.7-39.3177.8-70.8172.396.11609.2112.4N172 Q173 A174 R180N172-R176 VanDerWaalsContact O-CG 3.26Å; N172-R176 WeakPolarHBondContact O-CG 3.5Å; N172-R176 PolarHBondContact O-N 2.67Å; N172-R176 VanDerWaalsContact O-N 3.1Å; Q173-R176 PolarHBondContact O-N 3.05Å; A174-R176 VanDerWaalsContact C-N 3.3Å; A174-R176 PolarHBondContact O-N 3.2Å; R176-R180 WeakPolarHBondContact O-CG 3.23Å; R176-R180 PolarHBondContact O-N 3.13Å; R176-R180 VanDerWaalsContact O-N 3.14Å
177Q85.3Confident81.3Confident77 Ų7792.2 Ų92.236%0.3642%0.424SS..Hα-helixtrans-67.1-42.7177.5-69.7178.910.800111.9Q173 A174 R180 K181Q173-Q177 WeakPolarHBondContact O-CG 3.29Å; Q173-Q177 PolarHBondContact O-N 3.13Å; A174-Q177 PolarHBondContact O-N 3.04Å; Q177-R180 PolarHBondContact O-N 2.94Å; Q177-K181 PolarHBondContact O-N 2.9Å
178N81.7Confident79.5Confident103 Ų10397.8 Ų97.855%0.55146%0.462SS*.Hα-helixtrans-64.2-41.3177.3-72.7-13.4000112.2A174 R180 K181 F182A174-N178 PolarHBondContact O-N 2.94Å; N178-R180 PolarHBondContact O-N 3.21Å; N178-K181 PolarHBondContact O-N 2.76Å; N178-F182 PolarHBondContact O-N 2.54Å
179R78.2Confident77.9Confident182 Ų182100.9 Ų100.969%0.68748%0.478SS*.Hα-helixtrans-58.9-46.3173.1-75-179.3178-176-0.5111.8K175 K181 F182 F183K175-R179 WeakPolarHBondContact O-CG 3.49Å; K175-R179 PolarHBondContact O-N 3.24Å; K175-R179 VanDerWaalsContact O-N 3.1Å; R179-K181 PolarHBondContact O-N 3.17Å; R179-F182 WeakPolarHBondContact O-CB 3.33Å; R179-F182 PolarHBondContact O-N 3.46Å; R179-F183 WeakPolarHBondContact O-CD2 3.44Å; R179-F183 PolarHBondContact O-N 2.91Å
180R73.8Confident76.1Confident189 Ų189107.7 Ų107.771%0.71351%0.512SS*.Hα-helixtrans-61.1-41.7178.6-76.5178.1173.7178.5-3.7112.8R176 Q177 N178 F182 F183 S184R176-R180 WeakPolarHBondContact O-CG 3.23Å; R176-R180 PolarHBondContact O-N 3.13Å; R176-R180 VanDerWaalsContact O-N 3.14Å; Q177-R180 PolarHBondContact O-N 2.94Å; N178-R180 PolarHBondContact O-N 3.21Å; R180-F182 VanDerWaalsContact C-N 3.33Å; R180-F183 PolarHBondContact O-N 3.45Å; R180-S184 PolarHBondContact O-N 2.85Å
181K71.6Confident74.4Confident134 Ų134119.8 Ų119.858%0.58357%0.565SS**Hα-helixtrans-61.4-42174.6-73.6-178.1178.5179.90111.8Q177 N178 R179 F183 S184 I185Q177-K181 PolarHBondContact O-N 2.9Å; N178-K181 PolarHBondContact O-N 2.76Å; R179-K181 PolarHBondContact O-N 3.17Å; K181-F183 PolarHBondContact O-N 2.73Å; K181-S184 PolarHBondContact O-N 3.18Å; K181-S184 PolarHBondContact O-OG 2.75Å; K181-S184 VanDerWaalsContact O-OG 3.05Å; K181-I185 WeakPolarHBondContact O-CD1 3.33Å; K181-I185 VanDerWaalsContact O-CG1 3.3Å; K181-I185 WeakPolarHBondContact O-CG1 3.28Å; K181-I185 PolarHBondContact O-N 3.23Å
182F69.3Low73.4Confident131 Ų131125.2 Ų125.258%0.57559%0.589SS**Hα-helixtrans-61.1-45177-173.3-97.1000111.9N178 R179 R180 S184 I185 N186N178-F182 PolarHBondContact O-N 2.54Å; R179-F182 WeakPolarHBondContact O-CB 3.33Å; R179-F182 PolarHBondContact O-N 3.46Å; R180-F182 VanDerWaalsContact C-N 3.33Å; F182-S184 PolarHBondContact O-N 3.42Å; F182-I185 PolarHBondContact O-N 3.37Å; F182-N186 VanDerWaalsContact CE1-ND2 3.31Å; F182-N186 WeakPolarHBondContact CE1-ND2 3.44Å; F182-N186 WeakPolarHBondContact CZ-ND2 3.29Å; F182-N186 PolarHBondContact O-N 3.15Å; F182-N186 PolarHBondContact O-ND2 2.83Å
183F66.1Low72.4Confident151 Ų151127.5 Ų127.566%0.66260%0.597SS**Hα-helixtrans-69.2-29.7177.4-74.6-70.6000113.8R179 R180 K181 I185R179-F183 WeakPolarHBondContact O-CD2 3.44Å; R179-F183 PolarHBondContact O-N 2.91Å; R180-F183 PolarHBondContact O-N 3.45Å; K181-F183 PolarHBondContact O-N 2.73Å; F183-I185 VanDerWaalsContact C-N 3.32Å
184S64.6Low71.2Confident84 Ų84132.5 Ų132.559%0.58762%0.621SS**Hα-helixtrans-74.4-21.3177.274.30000113.7R180 K181 F182R180-S184 PolarHBondContact O-N 2.85Å; K181-S184 PolarHBondContact O-N 3.18Å; K181-S184 PolarHBondContact O-OG 2.75Å; K181-S184 VanDerWaalsContact O-OG 3.05Å; F182-S184 PolarHBondContact O-N 3.42Å
185I62.9Low70Confident135 Ų135139.2 Ų139.269%0.69265%0.648SS**Hα-helixtrans-82-27.8178.1-65.7164.2000110.6K181 F182 F183 E187K181-I185 WeakPolarHBondContact O-CD1 3.33Å; K181-I185 VanDerWaalsContact O-CG1 3.3Å; K181-I185 WeakPolarHBondContact O-CG1 3.28Å; K181-I185 PolarHBondContact O-N 3.23Å; F182-I185 PolarHBondContact O-N 3.37Å; F183-I185 VanDerWaalsContact C-N 3.32Å; I185-E187 PolarHBondContact O-N 3.29Å
186N59.3Low68.9Low88 Ų88141.6 Ų141.647%0.47166%0.661SS.*  trans-98.848.8-177.4-63.5-25.5000112F182 C188F182-N186 VanDerWaalsContact CE1-ND2 3.31Å; F182-N186 WeakPolarHBondContact CE1-ND2 3.44Å; F182-N186 WeakPolarHBondContact CZ-ND2 3.29Å; F182-N186 PolarHBondContact O-N 3.15Å; F182-N186 PolarHBondContact O-ND2 2.83Å; N186-C188 PolarHBondContact O-N 3.35Å
187E58.9Low67.6Low152 Ų152141.2 Ų141.271%0.7167%0.668SS**  trans-58.5105.8165.8-83.1-170.8168.200108.5I185 K189I185-E187 PolarHBondContact O-N 3.29Å; E187-K189 PolarHBondContact O-N 3.32Å
188C60.5Low66.4Low119 Ų119145.8 Ų145.880%0.80469%0.69SS**  trans-67.998.7175.6-163.80000107.5N186 I190N186-C188 PolarHBondContact O-N 3.35Å; C188-I190 PolarHBondContact O-N 3.39Å
189K62.1Low65.2Low157 Ų157149.1 Ų149.168%0.68370%0.701SS**  trans-81.2112170.9-67.6-175.2179.5-179.40107.9E187E187-K189 PolarHBondContact O-N 3.32Å
190I59.9Low64.1Low160 Ų160146.3 Ų146.382%0.82170%0.702SS**  trans-82.2122.9165.7-55.5177.4000105.9C188C188-I190 PolarHBondContact O-N 3.39Å
191F60.5Low63.2Low256 Ų256142.5 Ų142.5100%1.12370%0.701SS**  trans-84.10168.2-69.9-81.3000109.8

Retrieved 191 of 191 residues in 1711.4 ms (Link to these results)

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