A0A096MKS7_PAPAN Loading...

Rho-related GTP-binding protein RhoH

AlphaFold DB , UniProt , Accession A0A096MKS7, Species PAPAN (Papio anubis, Olive baboon), Gene RHOH, 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
1M59.9Low90.4Very high140 Ų14034.1 Ų34.169%0.6920%0.197SC*.  0156.60-162.7171.1-63.100107.3S3 I50M1-S3 PolarHBondContact O-N 3.36Å; M1-S3 VanDerWaalsContact O-N 3.09Å; M1-I50 HydrophobicContact CE-CD1 3.21Å; M1-I50 HydrophobicContact SD-CB 4.45Å; M1-I50 HydrophobicContact SD-CD1 3.26Å; M1-I50 WeakPolarHBondContact SD-CD1 3Å; M1-I50 HydrophobicContact SD-CG1 4.42Å; M1-I50 HydrophobicContact SD-CG2 4.21Å
2L69.8Low91.1Very high51 Ų5133 Ų3327%0.26719%0.19SC..  trans-61.6115.9174-78.6175.6000108.3I5 A174L2-I5 HydrophobicContact CB-CG1 4.38Å; L2-I5 HydrophobicContact CD1-CG1 4.23Å; L2-A174 HydrophobicContact CD1-CB 3.44Å; L2-A174 VanDerWaalsContact CD1-CB 3.44Å; L2-A174 HydrophobicContact CD2-CB 4.49Å; L2-A174 HydrophobicContact CG-CB 3.83Å
3S83.8Confident91.5Very high93 Ų9333.9 Ų33.965%0.6520%0.2SC*.SBendtrans-83.7-19.1173.950.30000112.1M1 S53M1-S3 PolarHBondContact O-N 3.36Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-S53 PolarHBondContact O-N 3.46Å
4S94Very high91.8Very high62 Ų6235.7 Ų35.743%0.43422%0.22SC..EExtended strand (participates in β ladder)trans-137146.4175.6-175.60000110.7S53S4-S53 CarbonylContact C-O 3.5Å; S4-S53 WeakPolarHBondContact CA-O 3.43Å; S4-S53 PolarHBondContact OG-O 3.33Å
5I97.1Very high92.2Very high0 Ų033.4 Ų33.40%021%0.206CC..EExtended strand (participates in β ladder)trans-132.1130.2176.9-66.4177.5000108.3L2 I52 S53 L54 G55 D77 V78 V167 A170 V171L2-I5 HydrophobicContact CB-CG1 4.38Å; L2-I5 HydrophobicContact CD1-CG1 4.23Å; I5-I52 HydrophobicContact CB-CG2 4.28Å; I5-I52 HydrophobicContact CD1-CD1 4.41Å; I5-I52 HydrophobicContact CD1-CG2 3.7Å; I5-I52 HydrophobicContact CG1-CG2 3.78Å; I5-S53 PolarHBondContact N-O 2.94Å; I5-L54 HydrophobicContact CB-CD1 4.12Å; I5-L54 HydrophobicContact CG2-CD1 3.9Å; I5-G55 PolarHBondContact O-N 2.96Å; I5-D77 WeakPolarHBondContact CA-OD2 3.45Å; I5-D77 HydrophobicContact CG2-CB 4.01Å; I5-V78 HydrophobicContact CG2-CG1 4.36Å; I5-V167 HydrophobicContact CD1-CB 4.3Å; I5-V167 HydrophobicContact CD1-CG1 3.83Å; I5-V167 HydrophobicContact CD1-CG2 4.48Å; I5-A170 HydrophobicContact CD1-CB 3.97Å; I5-A170 HydrophobicContact CG1-CB 4.37Å; I5-A170 HydrophobicContact CG2-CB 3.79Å; I5-V171 HydrophobicContact CD1-CG2 3.81Å
6K97.8Very high92.6Very high29 Ų2932.1 Ų32.113%0.12620%0.201CC..EExtended strand (participates in β ladder)trans-97.4114.1170174.8164.2177.6179.40110.8V8 W57 S72 Q74 D77 V78K6-V8 HydrophobicContact CG-CG2 4.32Å; K6-W57 HydrophobicContact CB-CE3 4.44Å; K6-W57 HydrophobicContact CB-CZ3 4Å; K6-W57 HydrophobicContact CD-CD2 4.06Å; K6-W57 HydrophobicContact CD-CE3 4Å; K6-W57 HydrophobicContact CD-CH2 3.94Å; K6-W57 HydrophobicContact CD-CZ2 3.99Å; K6-W57 HydrophobicContact CD-CZ3 3.89Å; K6-W57 VanDerWaalsContact CE-CD2 3.49Å; K6-W57 VanDerWaalsContact CE-CE2 3.44Å; K6-W57 HydrophobicContact CG-CD2 4.06Å; K6-W57 HydrophobicContact CG-CE3 3.57Å; K6-W57 HydrophobicContact CG-CH2 4.1Å; K6-W57 HydrophobicContact CG-CZ3 3.54Å; K6-S72 WeakPolarHBondContact CE-O 3.49Å; K6-S72 PolarHBondContact NZ-O 3.17Å; K6-Q74 WeakPolarHBondContact CE-O 3.36Å; K6-Q74 PolarHBondContact NZ-O 3.27Å; K6-D77 PolarHBondContact N-OD2 3.29Å; K6-D77 PolarHBondContact O-N 3.01Å; K6-V78 PolarHBondContact O-N 3.5Å
7C98.4Very high92.9Very high0 Ų030.8 Ų30.80%019%0.192CC..EExtended strand (participates in β ladder)trans-107.1125175.4-179.10000110.3L54 G55 L56 W57 V78C7-L54 HydrophobicContact CB-CD1 3.85Å; C7-G55 PolarHBondContact N-O 3.42Å; C7-L56 HydrophobicContact CB-CD2 4.08Å; C7-L56 WeakPolarHBondContact O-CA 3.49Å; C7-W57 PolarHBondContact O-N 3.32Å; C7-V78 WeakPolarHBondContact CA-O 3.45Å; C7-V78 HydrophobicContact CB-CG1 3.92Å
8V98.5Very high93.1Very high0 Ų030.9 Ų30.90%019%0.192CC..EExtended strand (participates in β ladder)trans-111.1131.9178.4-174.60000110.4K6 V10 W57 T59 Y73 A76 V78 V79 L80K6-V8 HydrophobicContact CG-CG2 4.32Å; V8-V10 HydrophobicContact CG1-CG1 3.96Å; V8-W57 HydrophobicContact CB-CB 4.34Å; V8-W57 HydrophobicContact CG1-CB 4.19Å; V8-W57 HydrophobicContact CG2-CB 4.01Å; V8-W57 HydrophobicContact CG2-CG 4.47Å; V8-T59 HydrophobicContact CG1-CG2 3.79Å; V8-Y73 HydrophobicContact CG1-CD1 3.89Å; V8-Y73 HydrophobicContact CG1-CE1 3.93Å; V8-A76 HydrophobicContact CG2-CB 3.64Å; V8-V78 PolarHBondContact N-O 3.42Å; V8-V78 VanDerWaalsContact N-O 3.1Å; V8-V79 CarbonylContact O-C 3.53Å; V8-V79 WeakPolarHBondContact O-CA 3.33Å; V8-L80 PolarHBondContact O-N 3Å
9L98.6Very high93.3Very high0 Ų030.7 Ų30.70%019%0.192CC..EExtended strand (participates in β ladder)trans-98.9129.2174.3-71.971.6000109.7K17 L20 W57 T59 L80L9-K17 HydrophobicContact CB-CB 4.36Å; L9-K17 HydrophobicContact CB-CD 4.28Å; L9-K17 HydrophobicContact CD2-CB 4.22Å; L9-L20 HydrophobicContact CD2-CD2 4.35Å; L9-W57 PolarHBondContact N-O 3.11Å; L9-T59 WeakPolarHBondContact O-CB 3.24Å; L9-T59 PolarHBondContact O-OG1 2.81Å; L9-L80 WeakPolarHBondContact CA-O 3.44Å; L9-L80 HydrophobicContact CD1-CD1 4.12Å; L9-L80 HydrophobicContact CG-CB 4.14Å; L9-L80 HydrophobicContact CG-CD1 4.04Å
10V98.3Very high93.5Very high0 Ų029.3 Ų29.30%018%0.183CC..EExtended strand (participates in β ladder)trans-136.9157.9179.4-55.20000110.6V8 Y73 V79 L80 M81 C82 W98 I102V8-V10 HydrophobicContact CG1-CG1 3.96Å; V10-Y73 HydrophobicContact CG1-CE1 3.44Å; V10-Y73 VanDerWaalsContact CG1-CE1 3.44Å; V10-Y73 VanDerWaalsContact CG1-OH 3.29Å; V10-Y73 WeakPolarHBondContact CG1-OH 3.5Å; V10-V79 HydrophobicContact CG1-CG1 4.22Å; V10-V79 HydrophobicContact CG2-CG1 3.6Å; V10-L80 PolarHBondContact N-O 3.49Å; V10-M81 HydrophobicContact CG2-CB 4.21Å; V10-M81 HydrophobicContact CG2-CG 4.34Å; V10-C82 PolarHBondContact O-N 2.72Å; V10-W98 HydrophobicContact CB-CE3 4.17Å; V10-W98 HydrophobicContact CB-CZ3 4.32Å; V10-W98 HydrophobicContact CG2-CE3 4.49Å; V10-I102 HydrophobicContact CG2-CD1 3.69Å; V10-I102 HydrophobicContact CG2-CG1 4.09Å
11G98.4Very high93.7Very high0 Ų028 Ų280%018%0.175CC..  trans142.4170.1-174.600000111.2K17 G61 C82 W98G11-K17 PolarHBondContact O-NZ 3.39Å; G11-G61 WeakPolarHBondContact O-CA 3.37Å; G11-C82 WeakPolarHBondContact CA-O 3.43Å; G11-W98 VanDerWaalsContact C-CE2 3.42Å; G11-W98 VanDerWaalsContact CA-CE2 3.49Å; G11-W98 VanDerWaalsContact O-CZ2 3.28Å; G11-W98 WeakPolarHBondContact O-CZ2 3.15Å
12D98.4Very high95.3Very high21 Ų2122.7 Ų22.711%0.11215%0.15CC..SBendtrans-57.3163.1-176.6-78.36.9000113.3V15 K17 S90 N93 W98D12-V15 HydrophobicContact CB-CG1 3.74Å; D12-V15 VanDerWaalsContact O-CG2 3.22Å; D12-V15 WeakPolarHBondContact O-CG2 3.33Å; D12-K17 PolarHBondContact O-NZ 3.13Å; D12-S90 WeakPolarHBondContact OD2-CA 3.22Å; D12-N93 PolarHBondContact OD2-ND2 3.22Å; D12-W98 WeakPolarHBondContact OD1-CZ2 3.39Å; D12-W98 PolarHBondContact OD1-NE1 3.44Å
13S96.4Very high96.6Very high45 Ų4522.1 Ų22.132%0.31514%0.144SC..THydrogen-bonded Turntrans-59.9150170.5-660000110.9V15 N62S13-V15 PolarHBondContact O-N 3.12Å; S13-N62 PolarHBondContact OG-N 3.38Å; S13-N62 VanDerWaalsContact OG-N 3.12Å
14A96.1Very high97.2Very high59 Ų5919.8 Ų19.849%0.48812%0.123SC..THydrogen-bonded Turntrans60.49.2176.600000116.7G16 Y33 Q117A14-G16 PolarHBondContact O-N 3.48Å; A14-Y33 HydrophobicContact CB-CE2 4.35Å; A14-Q117 PolarHBondContact O-NE2 3.17Å
15V98Very high97.2Very high1 Ų119.2 Ų19.21%0.00612%0.117CC..SBendtrans-76.97.3172.6-52.10000113.5D12 S13 K17 C82 T116D12-V15 HydrophobicContact CB-CG1 3.74Å; D12-V15 VanDerWaalsContact O-CG2 3.22Å; D12-V15 WeakPolarHBondContact O-CG2 3.33Å; S13-V15 PolarHBondContact O-N 3.12Å; V15-K17 HydrophobicContact CG2-CD 4.36Å; V15-K17 HydrophobicContact CG2-CG 3.76Å; V15-C82 HydrophobicContact CG2-CB 4.11Å; V15-T116 VanDerWaalsContact O-CB 3.27Å; V15-T116 WeakPolarHBondContact O-CB 3.09Å; V15-T116 PolarHBondContact O-OG1 2.94Å
16G97.4Very high97Very high12 Ų1221.9 Ų21.912%0.12414%0.136CC..SBendtrans80.524.1174.300000116.6A14 S19 L20A14-G16 PolarHBondContact O-N 3.48Å; G16-S19 PolarHBondContact O-N 3.36Å; G16-L20 VanDerWaalsContact O-CB 3.29Å; G16-L20 WeakPolarHBondContact O-CB 3.31Å; G16-L20 PolarHBondContact O-N 3.12Å
17K97.9Very high96.6Very high11 Ų1128 Ų285%0.04816%0.164CC..Hα-helixtrans-58.5-50.7173-59-172.3-58.7-74.40112L9 G11 D12 V15 L20 L21 D58 T59 C82L9-K17 HydrophobicContact CB-CB 4.36Å; L9-K17 HydrophobicContact CB-CD 4.28Å; L9-K17 HydrophobicContact CD2-CB 4.22Å; G11-K17 PolarHBondContact O-NZ 3.39Å; D12-K17 PolarHBondContact O-NZ 3.13Å; V15-K17 HydrophobicContact CG2-CD 4.36Å; V15-K17 HydrophobicContact CG2-CG 3.76Å; K17-L20 WeakPolarHBondContact O-CB 3.42Å; K17-L20 PolarHBondContact O-N 3.19Å; K17-L21 PolarHBondContact O-N 3.3Å; K17-D58 WeakPolarHBondContact CB-OD1 3.46Å; K17-T59 WeakPolarHBondContact CE-O 3.46Å; K17-T59 PolarHBondContact NZ-O 3.48Å; K17-C82 HydrophobicContact CD-CB 4.46Å; K17-C82 HydrophobicContact CG-CB 3.98Å
18T96.8Very high96.3Very high33 Ų3331.6 Ų31.620%0.20219%0.186CC..Hα-helixtrans-64.1-44.5177.9-42.60000111.7L20 L21 V22 T36 D58T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 3.38Å; T18-L21 PolarHBondContact O-N 3.05Å; T18-L21 VanDerWaalsContact O-N 3.16Å; T18-V22 HydrophobicContact CG2-CG2 4.31Å; T18-V22 WeakPolarHBondContact O-CB 3.48Å; T18-V22 VanDerWaalsContact O-CG2 3.31Å; T18-V22 WeakPolarHBondContact O-CG2 3.43Å; T18-V22 PolarHBondContact O-N 2.89Å; T18-T36 PolarHBondContact OG1-OG1 3.21Å; T18-D58 VanDerWaalsContact CA-OD2 3.3Å; T18-D58 WeakPolarHBondContact CA-OD2 3.39Å; T18-D58 VanDerWaalsContact CB-OD2 3.26Å; T18-D58 WeakPolarHBondContact CB-OD2 3.38Å; T18-D58 PolarHBondContact OG1-OD2 2.76Å
19S97.2Very high95.9Very high27 Ų2735.3 Ų35.319%0.18920%0.203CC..Hα-helixtrans-60.9-37.8176.1-50.70000112.2G16 R23 A153G16-S19 PolarHBondContact O-N 3.36Å; S19-R23 WeakPolarHBondContact O-CB 3.41Å; S19-R23 PolarHBondContact O-N 3.49Å; S19-A153 WeakPolarHBondContact O-CB 3.34Å
20L97.9Very high95.3Very high1 Ų137.2 Ų37.21%0.00522%0.215CC..Hα-helixtrans-64.7-44.6174.617461.6000111.5L9 G16 K17 T18 F24 V114 C151 V159 V162 F163L9-L20 HydrophobicContact CD2-CD2 4.35Å; G16-L20 VanDerWaalsContact O-CB 3.29Å; G16-L20 WeakPolarHBondContact O-CB 3.31Å; G16-L20 PolarHBondContact O-N 3.12Å; K17-L20 WeakPolarHBondContact O-CB 3.42Å; K17-L20 PolarHBondContact O-N 3.19Å; T18-L20 VanDerWaalsContact C-N 3.28Å; T18-L20 PolarHBondContact O-N 3.38Å; L20-F24 WeakPolarHBondContact O-CB 3.48Å; L20-F24 PolarHBondContact O-N 3.35Å; L20-F24 VanDerWaalsContact O-N 3.1Å; L20-V114 HydrophobicContact CD2-CG1 4.32Å; L20-C151 HydrophobicContact CD1-CB 4.49Å; L20-V159 HydrophobicContact CD1-CB 4.26Å; L20-V159 HydrophobicContact CD1-CG1 3.94Å; L20-V159 HydrophobicContact CD1-CG2 3.98Å; L20-V162 HydrophobicContact CD2-CG1 4.3Å; L20-F163 HydrophobicContact CD1-CE2 3.88Å; L20-F163 HydrophobicContact CD1-CZ 4.46Å; L20-F163 HydrophobicContact CD2-CZ 4.44Å; L20-F163 HydrophobicContact CG-CE2 3.9Å; L20-F163 HydrophobicContact CG-CZ 3.98Å
21L96.2Very high94.5Very high3 Ų346.9 Ų46.92%0.01626%0.26CS..Hα-helixtrans-64.1-53.9178-162.7166.1000110.7K17 T18 R23 F24 T25 L56 D58K17-L21 PolarHBondContact O-N 3.3Å; T18-L21 PolarHBondContact O-N 3.05Å; T18-L21 VanDerWaalsContact O-N 3.16Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.37Å; L21-F24 WeakPolarHBondContact O-CB 3.26Å; L21-F24 PolarHBondContact O-N 3.17Å; L21-T25 HydrophobicContact CD2-CG2 3.71Å; L21-T25 WeakPolarHBondContact O-CG2 3.4Å; L21-T25 PolarHBondContact O-N 3Å; L21-T25 PolarHBondContact O-OG1 3.49Å; L21-T25 VanDerWaalsContact O-OG1 3.14Å; L21-L56 HydrophobicContact CD1-CB 3.83Å; L21-L56 HydrophobicContact CD2-CD1 4.06Å; L21-L56 HydrophobicContact CG-CB 4.18Å; L21-L56 HydrophobicContact CG-CD1 3.96Å; L21-D58 HydrophobicContact CD1-CB 3.8Å
22V95.1Very high93.7Very high29 Ų2950 Ų5018%0.17629%0.286CS..Hα-helixtrans-55.6-47.3178.11720000110.6T18 F24 T25 S26T18-V22 HydrophobicContact CG2-CG2 4.31Å; T18-V22 WeakPolarHBondContact O-CB 3.48Å; T18-V22 VanDerWaalsContact O-CG2 3.31Å; T18-V22 WeakPolarHBondContact O-CG2 3.43Å; T18-V22 PolarHBondContact O-N 2.89Å; V22-F24 PolarHBondContact O-N 3.46Å; V22-T25 PolarHBondContact O-N 3.4Å; V22-T25 PolarHBondContact O-OG1 2.95Å; V22-S26 WeakPolarHBondContact CG1-OG 3.42Å; V22-S26 PolarHBondContact O-N 3.06Å; V22-S26 PolarHBondContact O-OG 3.31Å
23R96.4Very high92.8Very high38 Ų3856 Ų5614%0.14331%0.309CS..Hα-helixtrans-59.8-38.4178.7179.159.379.2174.314112.4S19 L21 E27 T28 A153 L154 N156 V159S19-R23 WeakPolarHBondContact O-CB 3.41Å; S19-R23 PolarHBondContact O-N 3.49Å; L21-R23 VanDerWaalsContact C-N 3.32Å; L21-R23 PolarHBondContact O-N 3.37Å; R23-E27 PolarHBondContact NH1-O 3.28Å; R23-E27 WeakPolarHBondContact O-CA 3.36Å; R23-E27 PolarHBondContact O-N 3.04Å; R23-T28 VanDerWaalsContact CA-O 3.25Å; R23-T28 WeakPolarHBondContact CA-O 3.3Å; R23-T28 PolarHBondContact NE-O 2.94Å; R23-A153 HydrophobicContact CB-CB 4.07Å; R23-A153 PolarHBondContact NE-O 3.33Å; R23-A153 PolarHBondContact NH2-O 3.39Å; R23-L154 PolarHBondContact NH2-O 3.07Å; R23-N156 HydrophobicContact CG-CB 4.43Å; R23-N156 WeakPolarHBondContact CG-OD1 3.27Å; R23-V159 HydrophobicContact CB-CG1 4.44Å; R23-V159 HydrophobicContact CG-CB 4.44Å; R23-V159 HydrophobicContact CG-CG1 4.12Å; R23-V159 HydrophobicContact CG-CG2 3.92Å
24F96.3Very high92.1Very high45 Ų4562 Ų6220%0.19733%0.329CS..Hα-helixtrans-70.4-36.8178.4175.7-116000113.1L20 L21 V22 V43 V45 L54 L56 V159 F163L20-F24 WeakPolarHBondContact O-CB 3.48Å; L20-F24 PolarHBondContact O-N 3.35Å; L20-F24 VanDerWaalsContact O-N 3.1Å; L21-F24 WeakPolarHBondContact O-CB 3.26Å; L21-F24 PolarHBondContact O-N 3.17Å; V22-F24 PolarHBondContact O-N 3.46Å; F24-V43 HydrophobicContact CE1-CG2 3.64Å; F24-V43 HydrophobicContact CZ-CG2 4.22Å; F24-V45 HydrophobicContact CZ-CG1 4Å; F24-L54 HydrophobicContact CE1-CD2 3.99Å; F24-L54 HydrophobicContact CZ-CD2 4.22Å; F24-L56 HydrophobicContact CD1-CD1 3.82Å; F24-L56 HydrophobicContact CE1-CD1 4.02Å; F24-V159 HydrophobicContact CB-CG1 3.73Å; F24-V159 HydrophobicContact CD2-CG1 4.39Å; F24-F163 HydrophobicContact CB-CD2 3.72Å; F24-F163 HydrophobicContact CB-CE2 3.35Å; F24-F163 HydrophobicContact CB-CZ 4.01Å; F24-F163 HydrophobicContact CD1-CB 4.47Å; F24-F163 AromaticContact CD1-CD1 3.97Å; F24-F163 HydrophobicContact CD1-CD1 3.97Å; F24-F163 AromaticContact CD1-CD2 3.65Å; F24-F163 HydrophobicContact CD1-CD2 3.65Å; F24-F163 HydrophobicContact CD1-CE1 4.08Å; F24-F163 AromaticContact CD1-CE2 3.79Å; F24-F163 HydrophobicContact CD1-CE2 3.79Å; F24-F163 AromaticContact CD1-CG 3.76Å; F24-F163 HydrophobicContact CD1-CG 3.76Å; F24-F163 AromaticContact CD1-CZ 3.99Å; F24-F163 HydrophobicContact CD1-CZ 3.99Å; F24-F163 HydrophobicContact CD2-CB 4.17Å; F24-F163 AromaticContact CD2-CD2 3.39Å; F24-F163 HydrophobicContact CD2-CD2 3.39Å; F24-F163 AromaticContact CD2-CE2 4Å; F24-F163 HydrophobicContact CD2-CE2 4Å; F24-F163 AromaticContact CD2-CG 3.92Å; F24-F163 HydrophobicContact CD2-CG 3.92Å; F24-F163 HydrophobicContact CE1-CB 4.03Å; F24-F163 AromaticContact CE1-CD1 3.96Å; F24-F163 HydrophobicContact CE1-CD1 3.96Å; F24-F163 HydrophobicContact CE1-CD2 4.08Å; F24-F163 HydrophobicContact CE1-CE1 4.46Å; F24-F163 AromaticContact CE1-CG 3.74Å; F24-F163 HydrophobicContact CE1-CG 3.74Å; F24-F163 HydrophobicContact CE2-CB 3.7Å; F24-F163 AromaticContact CE2-CD2 3.85Å; F24-F163 HydrophobicContact CE2-CD2 3.85Å; F24-F163 AromaticContact CE2-CG 3.91Å; F24-F163 HydrophobicContact CE2-CG 3.91Å; F24-F163 HydrophobicContact CG-CD1 4.45Å; F24-F163 AromaticContact CG-CD2 3.28Å; F24-F163 HydrophobicContact CG-CD2 3.28Å; F24-F163 AromaticContact CG-CE2 3.43Å; F24-F163 HydrophobicContact CG-CE2 3.43Å; F24-F163 VanDerWaalsContact CG-CE2 3.43Å; F24-F163 AromaticContact CG-CG 3.84Å; F24-F163 HydrophobicContact CG-CG 3.84Å; F24-F163 HydrophobicContact CG-CZ 4.08Å; F24-F163 HydrophobicContact CZ-CB 3.63Å; F24-F163 HydrophobicContact CZ-CD1 4.44Å; F24-F163 HydrophobicContact CZ-CD2 4.18Å; F24-F163 AromaticContact CZ-CG 3.83Å; F24-F163 HydrophobicContact CZ-CG 3.83Å
25T93.9Very high91.3Very high49 Ų4963.9 Ų63.930%0.30134%0.336SS..Hα-helixtrans-92.5-29.8-172.757.40000114.2L21 V22 T41 V43 L56L21-T25 HydrophobicContact CD2-CG2 3.71Å; L21-T25 WeakPolarHBondContact O-CG2 3.4Å; L21-T25 PolarHBondContact O-N 3Å; L21-T25 PolarHBondContact O-OG1 3.49Å; L21-T25 VanDerWaalsContact O-OG1 3.14Å; V22-T25 PolarHBondContact O-N 3.4Å; V22-T25 PolarHBondContact O-OG1 2.95Å; T25-T41 HydrophobicContact CG2-CG2 4.12Å; T25-V43 HydrophobicContact CG2-CG1 3.74Å; T25-L56 HydrophobicContact CG2-CD1 3.67Å
26S92.1Very high90.6Very high57 Ų5765.1 Ų65.140%0.39934%0.343SS..Hα-helixtrans-121.10.1-175.464.90000114.4V22 T28V22-S26 WeakPolarHBondContact CG1-OG 3.42Å; V22-S26 PolarHBondContact O-N 3.06Å; V22-S26 PolarHBondContact O-OG 3.31Å; S26-T28 PolarHBondContact O-N 2.96Å; S26-T28 PolarHBondContact OG-OG1 2.94Å
27E90.1Very high89.6Confident156 Ų15669 Ų6973%0.72936%0.364SS*.SBendtrans54.718.4-174.6-57.3-171.7166.300114R23R23-E27 PolarHBondContact NH1-O 3.28Å; R23-E27 WeakPolarHBondContact O-CA 3.36Å; R23-E27 PolarHBondContact O-N 3.04Å
28T92Very high88.4Confident76 Ų7673.7 Ų73.747%0.46638%0.383SS..  trans-114.8166.3178.158.30000111.5R23 S26R23-T28 VanDerWaalsContact CA-O 3.25Å; R23-T28 WeakPolarHBondContact CA-O 3.3Å; R23-T28 PolarHBondContact NE-O 2.94Å; S26-T28 PolarHBondContact O-N 2.96Å; S26-T28 PolarHBondContact OG-OG1 2.94Å
29F90.6Very high87.7Confident78 Ų7876.3 Ų76.334%0.34239%0.393SS..  trans-115.7133.4172-174.9-96.6000109.6E31 A153 L154F29-E31 PolarHBondContact O-N 3.17Å; F29-A153 HydrophobicContact CD2-CB 4.11Å; F29-A153 HydrophobicContact CE2-CB 4.06Å; F29-L154 HydrophobicContact CD1-CD1 4.07Å; F29-L154 HydrophobicContact CD2-CB 4.4Å; F29-L154 HydrophobicContact CD2-CD1 4.49Å; F29-L154 HydrophobicContact CE1-CD1 4.06Å; F29-L154 HydrophobicContact CE2-CB 4.09Å; F29-L154 HydrophobicContact CE2-CD1 4.47Å; F29-L154 HydrophobicContact CG-CD1 4.28Å; F29-L154 HydrophobicContact CZ-CB 4.41Å; F29-L154 HydrophobicContact CZ-CD1 4.26Å
30P85.7Confident87.2Confident41 Ų4178.5 Ų78.527%0.26640%0.402SS..  trans-67.9125.1-179.726-32.3000111A32P30-A32 VanDerWaalsContact C-N 3.32Å; P30-A32 PolarHBondContact O-N 3.44Å
31E81.7Confident86.9Confident202 Ų20280.4 Ų80.494%0.94441%0.414SS*.SBendtrans-71.3-26.3-177.5-63.1-175.7167.300113.4F29F29-E31 PolarHBondContact O-N 3.17Å
32A82.2Confident86.7Confident66 Ų6682.8 Ų82.855%0.54544%0.44SS..SBendtrans-128139.6-17800000111.6P30 K34P30-A32 VanDerWaalsContact C-N 3.32Å; P30-A32 PolarHBondContact O-N 3.44Å; A32-K34 PolarHBondContact O-N 2.96Å
33Y79.7Confident86.6Confident148 Ų14883 Ų8358%0.5844%0.441SS*.  trans-72.5122.6172.8178.1-112.8000110.6A14 P35A14-Y33 HydrophobicContact CB-CE2 4.35Å; Y33-P35 HydrophobicContact CD1-CG 4.48Å; Y33-P35 HydrophobicContact CE1-CG 3.75Å
34K80.4Confident86.5Confident171 Ų17185.6 Ų85.674%0.74346%0.457SS*.  trans-122.4121.1169.1-67.2-177.3-179.5177.90108.5A32 T36A32-K34 PolarHBondContact O-N 2.96Å; K34-T36 PolarHBondContact O-N 2.93Å
35P80.7Confident86.4Confident97 Ų9784.7 Ų84.763%0.6346%0.456SS*.  trans-60.1124.9176.8-23.532.3000111.9Y33Y33-P35 HydrophobicContact CD1-CG 4.48Å; Y33-P35 HydrophobicContact CE1-CG 3.75Å
36T82.7Confident86.2Confident27 Ų2789.4 Ų89.417%0.16647%0.472CS..  trans-75131.4177.9-42.80000110.6T18 K34 D58 A60T18-T36 PolarHBondContact OG1-OG1 3.21Å; K34-T36 PolarHBondContact O-N 2.93Å; T36-D58 HydrophobicContact CG2-CB 4.4Å; T36-A60 WeakPolarHBondContact O-CB 3.26Å
37V76.1Confident85.8Confident93 Ų9387.7 Ų87.756%0.56446%0.458SS*.SBendtrans-89.1-55.6164.2178.50000108.6F65V37-F65 HydrophobicContact CB-CZ 4.47Å; V37-F65 HydrophobicContact CG1-CD1 4.49Å; V37-F65 HydrophobicContact CG1-CE1 3.79Å; V37-F65 HydrophobicContact CG1-CZ 4.2Å; V37-F65 HydrophobicContact CG2-CE1 4.47Å; V37-F65 HydrophobicContact CG2-CZ 4.07Å
38Y71.8Confident85.6Confident110 Ų11086.1 Ų86.143%0.43146%0.455SS..EExtended strand (participates in β ladder)trans-168.8139.5176.8177.4-108.4000109.7N40 W57 S72Y38-N40 WeakPolarHBondContact CE1-OD1 3.32Å; Y38-N40 WeakPolarHBondContact CE2-OD1 3.45Å; Y38-N40 VanDerWaalsContact CZ-CG 3.42Å; Y38-N40 VanDerWaalsContact CZ-ND2 3.35Å; Y38-N40 VanDerWaalsContact OH-CG 3.3Å; Y38-N40 PolarHBondContact OH-ND2 3.43Å; Y38-N40 PolarHBondContact OH-OD1 2.9Å; Y38-N40 VanDerWaalsContact OH-OD1 3.07Å; Y38-W57 AromaticContact CE2-CD1 3.75Å; Y38-W57 AromaticContact CZ-CD1 3.82Å; Y38-W57 VanDerWaalsContact OH-CD1 3.23Å; Y38-W57 PolarHBondContact OH-NE1 2.99Å; Y38-S72 VanDerWaalsContact CE2-OG 3.26Å; Y38-S72 WeakPolarHBondContact CE2-OG 3.47Å
39E82.5Confident85.2Confident89 Ų8986.1 Ų86.142%0.41647%0.47SS..EExtended strand (participates in β ladder)trans-145.7136.2173.3-167.6169.5171.500110.9D58E39-D58 HydrophobicContact CB-CB 4.29Å; E39-D58 PolarHBondContact N-O 2.95Å; E39-D58 PolarHBondContact O-N 2.86Å
40N86.8Confident85.1Confident73 Ų7385.4 Ų85.439%0.3947%0.469SS..EExtended strand (participates in β ladder)trans-121.4127.9176.7-77.60.4000110.3Y38 L56 W57Y38-N40 WeakPolarHBondContact CE1-OD1 3.32Å; Y38-N40 WeakPolarHBondContact CE2-OD1 3.45Å; Y38-N40 VanDerWaalsContact CZ-CG 3.42Å; Y38-N40 VanDerWaalsContact CZ-ND2 3.35Å; Y38-N40 VanDerWaalsContact OH-CG 3.3Å; Y38-N40 PolarHBondContact OH-ND2 3.43Å; Y38-N40 PolarHBondContact OH-OD1 2.9Å; Y38-N40 VanDerWaalsContact OH-OD1 3.07Å; N40-L56 WeakPolarHBondContact CA-O 3.43Å; N40-W57 PolarHBondContact ND2-NE1 3.08Å; N40-W57 VanDerWaalsContact ND2-NE1 3.19Å; N40-W57 VanDerWaalsContact OD1-CG 3.31Å; N40-W57 PolarHBondContact OD1-NE1 3.31Å
41T91.2Very high85.4Confident40 Ų4088.3 Ų88.325%0.24548%0.479CS..EExtended strand (participates in β ladder)trans-134.1142.7176.9-47.30000109.5T25 L56T25-T41 HydrophobicContact CG2-CG2 4.12Å; T41-L56 PolarHBondContact N-O 3.26Å; T41-L56 WeakPolarHBondContact O-CB 3.45Å; T41-L56 PolarHBondContact O-N 2.91Å
42G91.7Very high86Confident54 Ų5478.7 Ų78.756%0.55743%0.434SS*.EExtended strand (participates in β ladder)trans-113138172.300000110.5L54G42-L54 WeakPolarHBondContact CA-O 3.41Å
43V94.3Very high86.7Confident34 Ų3478 Ų7821%0.20643%0.425CS..EExtended strand (participates in β ladder)trans-135.5150.1169.4-64.20000110F24 T25 V45 L54 L56F24-V43 HydrophobicContact CE1-CG2 3.64Å; F24-V43 HydrophobicContact CZ-CG2 4.22Å; T25-V43 HydrophobicContact CG2-CG1 3.74Å; V43-V45 HydrophobicContact CG2-CG1 4.18Å; V43-L54 HydrophobicContact CG2-CB 4.28Å; V43-L54 HydrophobicContact CG2-CD2 4.46Å; V43-L54 PolarHBondContact N-O 3.33Å; V43-L54 WeakPolarHBondContact O-CA 3.22Å; V43-L54 PolarHBondContact O-N 3.3Å; V43-L56 HydrophobicContact CG2-CD1 4.37Å
44D94.3Very high87.5Confident91 Ų9171 Ų7149%0.48740%0.398SS..EExtended strand (participates in β ladder)trans-90.2130.1171.2-72.4-27.3000110Q51D44-Q51 HydrophobicContact CB-CG 4.15Å; D44-Q51 VanDerWaalsContact CG-NE2 3.3Å; D44-Q51 PolarHBondContact OD2-NE2 3.14Å
45V93.4Very high88.3Confident27 Ų2763.3 Ų63.316%0.16437%0.367CS..EExtended strand (participates in β ladder)trans-121.5148.9176.3-59.50000109.8F24 V43 Q51 I52 L54 V167F24-V45 HydrophobicContact CZ-CG1 4Å; V43-V45 HydrophobicContact CG2-CG1 4.18Å; V45-Q51 CarbonylContact O-C 3.59Å; V45-Q51 WeakPolarHBondContact O-CA 3.5Å; V45-I52 HydrophobicContact CG2-CB 3.99Å; V45-I52 HydrophobicContact CG2-CG2 4.43Å; V45-I52 WeakPolarHBondContact CG2-O 3.24Å; V45-I52 PolarHBondContact N-O 3.4Å; V45-I52 PolarHBondContact O-N 3.4Å; V45-L54 HydrophobicContact CG1-CB 4.29Å; V45-L54 HydrophobicContact CG1-CD2 4.09Å; V45-L54 HydrophobicContact CG2-CB 4.13Å; V45-V167 HydrophobicContact CG2-CG1 4.47Å; V45-V167 HydrophobicContact CG2-CG2 4.02Å
46F89.6Confident89.1Confident148 Ų14858.7 Ų58.765%0.64934%0.337SS*.EExtended strand (participates in β ladder)trans-107.2123.9176.3-69.6-93.6000109.7I50 Q51F46-I50 WeakPolarHBondContact CA-O 3.4Å; F46-Q51 HydrophobicContact CD1-CB 4.09Å; F46-Q51 HydrophobicContact CE1-CB 3.67Å; F46-Q51 HydrophobicContact CE1-CG 4.05Å; F46-Q51 HydrophobicContact CE2-CG 4.45Å; F46-Q51 HydrophobicContact CZ-CB 4.1Å; F46-Q51 HydrophobicContact CZ-CG 3.94Å
47M85.3Confident89.8Confident20 Ų2059.8 Ų59.810%0.09934%0.338CS..EExtended strand (participates in β ladder)trans-131.9126.9173.3-171.2178.865.300109.5G49 I50 I52 V167 R168 V171M47-G49 PolarHBondContact O-N 3.17Å; M47-I50 PolarHBondContact N-O 2.99Å; M47-I50 PolarHBondContact O-N 2.96Å; M47-I52 HydrophobicContact CB-CD1 4.1Å; M47-I52 HydrophobicContact CE-CD1 3.96Å; M47-V167 HydrophobicContact CB-CG1 4.31Å; M47-V167 HydrophobicContact CE-CG1 3.76Å; M47-V167 HydrophobicContact SD-CB 4.48Å; M47-V167 HydrophobicContact SD-CG1 3.71Å; M47-R168 HydrophobicContact SD-CB 3.88Å; M47-R168 HydrophobicContact SD-CG 4.41Å; M47-V171 HydrophobicContact CE-CB 3.85Å; M47-V171 HydrophobicContact CE-CG1 4.12Å; M47-V171 HydrophobicContact CE-CG2 3.51Å
48D84.3Confident90.8Very high124 Ų12455.3 Ų55.366%0.66331%0.311SS*.THydrogen-bonded Turntrans52.437.4-177.7-52.9-27.4000113.1I50D48-I50 VanDerWaalsContact C-N 3.29Å; D48-I50 PolarHBondContact O-N 3.33Å
49G84.9Confident91.9Very high76 Ų7650.2 Ų50.278%0.78429%0.291SS*.THydrogen-bonded Turntrans786.8-17900000115.2M47M47-G49 PolarHBondContact O-N 3.17Å
50I87.3Confident92.4Very high63 Ų6346.1 Ų46.132%0.32327%0.273SS..EExtended strand (participates in β ladder)trans-113.4128-177.9-63.3170.7000109.6M1 F46 M47 D48 I52M1-I50 HydrophobicContact CE-CD1 3.21Å; M1-I50 HydrophobicContact SD-CB 4.45Å; M1-I50 HydrophobicContact SD-CD1 3.26Å; M1-I50 WeakPolarHBondContact SD-CD1 3Å; M1-I50 HydrophobicContact SD-CG1 4.42Å; M1-I50 HydrophobicContact SD-CG2 4.21Å; F46-I50 WeakPolarHBondContact CA-O 3.4Å; M47-I50 PolarHBondContact N-O 2.99Å; M47-I50 PolarHBondContact O-N 2.96Å; D48-I50 VanDerWaalsContact C-N 3.29Å; D48-I50 PolarHBondContact O-N 3.33Å; I50-I52 HydrophobicContact CG2-CG1 4.46Å
51Q92.3Very high92.5Very high102 Ų10243 Ų4348%0.47726%0.257SS..EExtended strand (participates in β ladder)trans-72.5130.4172.4-169.9176.1-11.400109.9D44 V45 F46D44-Q51 HydrophobicContact CB-CG 4.15Å; D44-Q51 VanDerWaalsContact CG-NE2 3.3Å; D44-Q51 PolarHBondContact OD2-NE2 3.14Å; V45-Q51 CarbonylContact O-C 3.59Å; V45-Q51 WeakPolarHBondContact O-CA 3.5Å; F46-Q51 HydrophobicContact CD1-CB 4.09Å; F46-Q51 HydrophobicContact CE1-CB 3.67Å; F46-Q51 HydrophobicContact CE1-CG 4.05Å; F46-Q51 HydrophobicContact CE2-CG 4.45Å; F46-Q51 HydrophobicContact CZ-CB 4.1Å; F46-Q51 HydrophobicContact CZ-CG 3.94Å
52I94.9Very high92.5Very high0 Ų045 Ų450%027%0.267CS..EExtended strand (participates in β ladder)trans-127.1126.3178.8-62172.5000107.4I5 V45 M47 I50 L54 V167 V171I5-I52 HydrophobicContact CB-CG2 4.28Å; I5-I52 HydrophobicContact CD1-CD1 4.41Å; I5-I52 HydrophobicContact CD1-CG2 3.7Å; I5-I52 HydrophobicContact CG1-CG2 3.78Å; V45-I52 HydrophobicContact CG2-CB 3.99Å; V45-I52 HydrophobicContact CG2-CG2 4.43Å; V45-I52 WeakPolarHBondContact CG2-O 3.24Å; V45-I52 PolarHBondContact N-O 3.4Å; V45-I52 PolarHBondContact O-N 3.4Å; M47-I52 HydrophobicContact CB-CD1 4.1Å; M47-I52 HydrophobicContact CE-CD1 3.96Å; I50-I52 HydrophobicContact CG2-CG1 4.46Å; I52-L54 PolarHBondContact O-N 2.98Å; I52-V167 HydrophobicContact CD1-CG1 3.71Å; I52-V171 HydrophobicContact CD1-CG2 4.15Å
53S96.4Very high92.5Very high51 Ų5146.6 Ų46.636%0.35726%0.262SS..EExtended strand (participates in β ladder)trans-78.1105.4171.7-174.20000109.6S3 S4 I5S3-S53 PolarHBondContact O-N 3.46Å; S4-S53 CarbonylContact C-O 3.5Å; S4-S53 WeakPolarHBondContact CA-O 3.43Å; S4-S53 PolarHBondContact OG-O 3.33Å; I5-S53 PolarHBondContact N-O 2.94Å
54L97.2Very high92.5Very high1 Ų148.4 Ų48.41%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-94.9107.1179.6178.561.6000109.5I5 C7 F24 G42 V43 V45 I52 L56 F163 V167I5-L54 HydrophobicContact CB-CD1 4.12Å; I5-L54 HydrophobicContact CG2-CD1 3.9Å; C7-L54 HydrophobicContact CB-CD1 3.85Å; F24-L54 HydrophobicContact CE1-CD2 3.99Å; F24-L54 HydrophobicContact CZ-CD2 4.22Å; G42-L54 WeakPolarHBondContact CA-O 3.41Å; V43-L54 HydrophobicContact CG2-CB 4.28Å; V43-L54 HydrophobicContact CG2-CD2 4.46Å; V43-L54 PolarHBondContact N-O 3.33Å; V43-L54 WeakPolarHBondContact O-CA 3.22Å; V43-L54 PolarHBondContact O-N 3.3Å; V45-L54 HydrophobicContact CG1-CB 4.29Å; V45-L54 HydrophobicContact CG1-CD2 4.09Å; V45-L54 HydrophobicContact CG2-CB 4.13Å; I52-L54 PolarHBondContact O-N 2.98Å; L54-L56 HydrophobicContact CD1-CD2 4.24Å; L54-L56 HydrophobicContact CD2-CD2 3.9Å; L54-L56 HydrophobicContact CG-CD2 3.77Å; L54-L56 HydrophobicContact CG-CG 4.36Å; L54-F163 HydrophobicContact CD2-CB 4.47Å; L54-F163 HydrophobicContact CD2-CD1 4.34Å; L54-V167 HydrophobicContact CD1-CG2 4.13Å; L54-V167 HydrophobicContact CD2-CG2 3.93Å
55G97.7Very high92.4Very high9 Ų946.7 Ų46.79%0.09327%0.269CS..EExtended strand (participates in β ladder)trans-89.3136169.200000111.1I5 C7 W57I5-G55 PolarHBondContact O-N 2.96Å; C7-G55 PolarHBondContact N-O 3.42Å; G55-W57 VanDerWaalsContact C-CE3 3.43Å; G55-W57 VanDerWaalsContact CA-CZ3 3.45Å; G55-W57 WeakPolarHBondContact O-CZ3 3.36Å
56L97.4Very high92.3Very high0 Ų052.8 Ų52.80%029%0.289CS..EExtended strand (participates in β ladder)trans-117.4122.3-174.1-56.8173.6000109C7 L21 F24 T25 N40 T41 V43 L54 F163C7-L56 HydrophobicContact CB-CD2 4.08Å; C7-L56 WeakPolarHBondContact O-CA 3.49Å; L21-L56 HydrophobicContact CD1-CB 3.83Å; L21-L56 HydrophobicContact CD2-CD1 4.06Å; L21-L56 HydrophobicContact CG-CB 4.18Å; L21-L56 HydrophobicContact CG-CD1 3.96Å; F24-L56 HydrophobicContact CD1-CD1 3.82Å; F24-L56 HydrophobicContact CE1-CD1 4.02Å; T25-L56 HydrophobicContact CG2-CD1 3.67Å; N40-L56 WeakPolarHBondContact CA-O 3.43Å; T41-L56 PolarHBondContact N-O 3.26Å; T41-L56 WeakPolarHBondContact O-CB 3.45Å; T41-L56 PolarHBondContact O-N 2.91Å; V43-L56 HydrophobicContact CG2-CD1 4.37Å; L54-L56 HydrophobicContact CD1-CD2 4.24Å; L54-L56 HydrophobicContact CD2-CD2 3.9Å; L54-L56 HydrophobicContact CG-CD2 3.77Å; L54-L56 HydrophobicContact CG-CG 4.36Å; L56-F163 HydrophobicContact CD1-CE1 4.49Å; L56-F163 HydrophobicContact CD2-CD1 3.89Å; L56-F163 HydrophobicContact CD2-CE1 3.66Å
57W97.2Very high92.5Very high50 Ų5050.7 Ų50.719%0.18929%0.293CS..EExtended strand (participates in β ladder)trans-111106.3177.3-82.3-114.2000108.9K6 C7 V8 L9 Y38 N40 G55K6-W57 HydrophobicContact CB-CE3 4.44Å; K6-W57 HydrophobicContact CB-CZ3 4Å; K6-W57 HydrophobicContact CD-CD2 4.06Å; K6-W57 HydrophobicContact CD-CE3 4Å; K6-W57 HydrophobicContact CD-CH2 3.94Å; K6-W57 HydrophobicContact CD-CZ2 3.99Å; K6-W57 HydrophobicContact CD-CZ3 3.89Å; K6-W57 VanDerWaalsContact CE-CD2 3.49Å; K6-W57 VanDerWaalsContact CE-CE2 3.44Å; K6-W57 HydrophobicContact CG-CD2 4.06Å; K6-W57 HydrophobicContact CG-CE3 3.57Å; K6-W57 HydrophobicContact CG-CH2 4.1Å; K6-W57 HydrophobicContact CG-CZ3 3.54Å; C7-W57 PolarHBondContact O-N 3.32Å; V8-W57 HydrophobicContact CB-CB 4.34Å; V8-W57 HydrophobicContact CG1-CB 4.19Å; V8-W57 HydrophobicContact CG2-CB 4.01Å; V8-W57 HydrophobicContact CG2-CG 4.47Å; L9-W57 PolarHBondContact N-O 3.11Å; Y38-W57 AromaticContact CE2-CD1 3.75Å; Y38-W57 AromaticContact CZ-CD1 3.82Å; Y38-W57 VanDerWaalsContact OH-CD1 3.23Å; Y38-W57 PolarHBondContact OH-NE1 2.99Å; N40-W57 PolarHBondContact ND2-NE1 3.08Å; N40-W57 VanDerWaalsContact ND2-NE1 3.19Å; N40-W57 VanDerWaalsContact OD1-CG 3.31Å; N40-W57 PolarHBondContact OD1-NE1 3.31Å; G55-W57 VanDerWaalsContact C-CE3 3.43Å; G55-W57 VanDerWaalsContact CA-CZ3 3.45Å; G55-W57 WeakPolarHBondContact O-CZ3 3.36Å
58D95.8Very high92.8Very high0 Ų053.9 Ų53.90%031%0.309CS..EExtended strand (participates in β ladder)trans-85.5133.1170.4-165.316.7000110.2K17 T18 L21 T36 E39K17-D58 WeakPolarHBondContact CB-OD1 3.46Å; T18-D58 VanDerWaalsContact CA-OD2 3.3Å; T18-D58 WeakPolarHBondContact CA-OD2 3.39Å; T18-D58 VanDerWaalsContact CB-OD2 3.26Å; T18-D58 WeakPolarHBondContact CB-OD2 3.38Å; T18-D58 PolarHBondContact OG1-OD2 2.76Å; L21-D58 HydrophobicContact CD1-CB 3.8Å; T36-D58 HydrophobicContact CG2-CB 4.4Å; E39-D58 HydrophobicContact CB-CB 4.29Å; E39-D58 PolarHBondContact N-O 2.95Å; E39-D58 PolarHBondContact O-N 2.86Å
59T95.6Very high93.3Very high2 Ų248.2 Ų48.21%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-121.9143.5-174.770.80000112.1V8 L9 K17 G61 R69V8-T59 HydrophobicContact CG1-CG2 3.79Å; L9-T59 WeakPolarHBondContact O-CB 3.24Å; L9-T59 PolarHBondContact O-OG1 2.81Å; K17-T59 WeakPolarHBondContact CE-O 3.46Å; K17-T59 PolarHBondContact NZ-O 3.48Å; T59-G61 PolarHBondContact O-N 3.4Å; T59-R69 HydrophobicContact CG2-CG 4.24Å
60A92.6Very high93.8Very high4 Ų446.2 Ų46.23%0.03325%0.252CS..  trans-62.2129.5173.500000111.4T36 F65 R69T36-A60 WeakPolarHBondContact O-CB 3.26Å; A60-F65 HydrophobicContact CB-CB 3.86Å; A60-F65 HydrophobicContact CB-CD2 3.27Å; A60-F65 HydrophobicContact CB-CE2 3.89Å; A60-F65 HydrophobicContact CB-CG 3.63Å; A60-R69 PolarHBondContact O-NE 2.93Å; A60-R69 PolarHBondContact O-NH2 2.95Å
61G90Very high94.1Very high6 Ų648.6 Ų48.66%0.06227%0.265CS..  trans-83.6-8.9177.800000114.9G11 T59G11-G61 WeakPolarHBondContact O-CA 3.37Å; T59-G61 PolarHBondContact O-N 3.4Å
62N90.8Very high94.2Very high83 Ų8344.2 Ų44.244%0.44425%0.245SC..SBendtrans-78.3141.5-179-172.4-28.4000110.6S13 A64 F65 R69S13-N62 PolarHBondContact OG-N 3.38Å; S13-N62 VanDerWaalsContact OG-N 3.12Å; N62-A64 PolarHBondContact O-N 2.95Å; N62-A64 PolarHBondContact OD1-N 2.97Å; N62-F65 HydrophobicContact CB-CD2 4.14Å; N62-F65 HydrophobicContact CB-CE2 4.47Å; N62-F65 PolarHBondContact O-N 2.71Å; N62-F65 VanDerWaalsContact O-N 3.15Å; N62-R69 PolarHBondContact O-NH2 3.09Å
63D91.9Very high94.3Very high87 Ų8744.3 Ų44.347%0.46525%0.246SC..G310 helixtrans-64-20.3177.1-75.2-39.6000114.5F65 R66 K97D63-F65 PolarHBondContact O-N 3.09Å; D63-F65 VanDerWaalsContact O-N 3.08Å; D63-R66 WeakPolarHBondContact O-CB 3.17Å; D63-R66 PolarHBondContact O-N 3.12Å; D63-K97 WeakPolarHBondContact OD1-CE 3.43Å; D63-K97 IonicContact OD1-NZ 2.81Å; D63-K97 PolarHBondContact OD1-NZ 3.35Å; D63-K97 IonicContact OD2-NZ 3.81Å; D63-K97 PolarHBondContact OD2-NZ 2.92Å
64A92.8Very high94.1Very high72 Ų7248 Ų4860%0.59526%0.258SS*.G310 helixtrans-55-25.9170.400000113.2N62N62-A64 PolarHBondContact O-N 2.95Å; N62-A64 PolarHBondContact OD1-N 2.97Å
65F92.2Very high93.9Very high55 Ų5556.4 Ų56.424%0.24130%0.296CS..G310 helixtrans-102.96.3-179.9-59-76.2000113.6V37 A60 N62 D63 S67 I68 R69V37-F65 HydrophobicContact CB-CZ 4.47Å; V37-F65 HydrophobicContact CG1-CD1 4.49Å; V37-F65 HydrophobicContact CG1-CE1 3.79Å; V37-F65 HydrophobicContact CG1-CZ 4.2Å; V37-F65 HydrophobicContact CG2-CE1 4.47Å; V37-F65 HydrophobicContact CG2-CZ 4.07Å; A60-F65 HydrophobicContact CB-CB 3.86Å; A60-F65 HydrophobicContact CB-CD2 3.27Å; A60-F65 HydrophobicContact CB-CE2 3.89Å; A60-F65 HydrophobicContact CB-CG 3.63Å; N62-F65 HydrophobicContact CB-CD2 4.14Å; N62-F65 HydrophobicContact CB-CE2 4.47Å; N62-F65 PolarHBondContact O-N 2.71Å; N62-F65 VanDerWaalsContact O-N 3.15Å; D63-F65 PolarHBondContact O-N 3.09Å; D63-F65 VanDerWaalsContact O-N 3.08Å; F65-S67 VanDerWaalsContact C-N 3.26Å; F65-S67 PolarHBondContact O-N 2.88Å; F65-I68 HydrophobicContact CB-CD1 4.49Å; F65-I68 HydrophobicContact CB-CG1 4.13Å; F65-I68 HydrophobicContact CD1-CD1 3.72Å; F65-I68 HydrophobicContact CD1-CG1 4.25Å; F65-I68 WeakPolarHBondContact O-CG1 3.22Å; F65-I68 PolarHBondContact O-N 2.93Å; F65-I68 VanDerWaalsContact O-N 3.13Å; F65-R69 WeakPolarHBondContact O-CB 3.26Å; F65-R69 PolarHBondContact O-N 3.24Å
66R92.5Very high94Very high156 Ų15656.1 Ų56.159%0.58929%0.294SS*.THydrogen-bonded Turntrans-57.5-35.8-174.2-177.3178.7-179.9-169-1.4113.4D63 P70D63-R66 WeakPolarHBondContact O-CB 3.17Å; D63-R66 PolarHBondContact O-N 3.12Å; R66-P70 VanDerWaalsContact O-CD 3.26Å; R66-P70 WeakPolarHBondContact O-CD 3.45Å
67S92.9Very high94Very high103 Ų10358.1 Ų58.172%0.7230%0.304SS*.THydrogen-bonded Turntrans-74.1-28.6-179.653.70000113.5F65F65-S67 VanDerWaalsContact C-N 3.26Å; F65-S67 PolarHBondContact O-N 2.88Å
68I92.8Very high94.1Very high87 Ų8755.7 Ų55.745%0.44630%0.295SS..THydrogen-bonded Turntrans-99.2-24.6-176.869167.7000113.2F65 P70 L71F65-I68 HydrophobicContact CB-CD1 4.49Å; F65-I68 HydrophobicContact CB-CG1 4.13Å; F65-I68 HydrophobicContact CD1-CD1 3.72Å; F65-I68 HydrophobicContact CD1-CG1 4.25Å; F65-I68 WeakPolarHBondContact O-CG1 3.22Å; F65-I68 PolarHBondContact O-N 2.93Å; F65-I68 VanDerWaalsContact O-N 3.13Å; I68-P70 VanDerWaalsContact C-N 3.28Å; I68-L71 VanDerWaalsContact O-CB 3.28Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 WeakPolarHBondContact O-CG 3.32Å; I68-L71 PolarHBondContact O-N 2.97Å
69R94.8Very high94.2Very high5 Ų555.7 Ų55.72%0.01930%0.295CS..Hα-helixtrans-51.8-36.8178.6-160.8-174.4-55.3125.90.2114T59 A60 N62 F65 L71 S72 Y73 W98 E101T59-R69 HydrophobicContact CG2-CG 4.24Å; A60-R69 PolarHBondContact O-NE 2.93Å; A60-R69 PolarHBondContact O-NH2 2.95Å; N62-R69 PolarHBondContact O-NH2 3.09Å; F65-R69 WeakPolarHBondContact O-CB 3.26Å; F65-R69 PolarHBondContact O-N 3.24Å; R69-L71 PolarHBondContact O-N 3.23Å; R69-L71 VanDerWaalsContact O-N 3.12Å; R69-S72 WeakPolarHBondContact O-CB 3.42Å; R69-S72 PolarHBondContact O-N 3.3Å; R69-S72 PolarHBondContact O-OG 3.23Å; R69-Y73 VanDerWaalsContact CD-OH 3.27Å; R69-Y73 WeakPolarHBondContact CD-OH 3.35Å; R69-Y73 HydrophobicContact CG-CE1 4.15Å; R69-W98 VanDerWaalsContact CZ-CH2 3.43Å; R69-W98 VanDerWaalsContact NH1-CH2 3.35Å; R69-E101 WeakPolarHBondContact CD-OE1 3.17Å; R69-E101 IonicContact CZ-OE1 3.72Å; R69-E101 IonicContact NE-OE1 3.98Å; R69-E101 IonicContact NH1-OE1 2.71Å; R69-E101 PolarHBondContact NH1-OE1 2.95Å; R69-E101 IonicContact NH1-OE2 2.98Å; R69-E101 PolarHBondContact NH1-OE2 3.32Å
70P94.4Very high94.4Very high34 Ų3455.6 Ų55.622%0.22129%0.294CS..Hα-helixtrans-55.6-26.4174.7-31.839.6000115.3R66 I68 S72 Y73 N105R66-P70 VanDerWaalsContact O-CD 3.26Å; R66-P70 WeakPolarHBondContact O-CD 3.45Å; I68-P70 VanDerWaalsContact C-N 3.28Å; P70-S72 PolarHBondContact O-N 3Å; P70-Y73 WeakPolarHBondContact O-CB 3.16Å; P70-Y73 PolarHBondContact O-N 3.47Å; P70-N105 WeakPolarHBondContact CB-OD1 3.43Å
71L93.9Very high94.7Very high114 Ų11455.4 Ų55.460%0.59729%0.293SS*.Hα-helixtrans-63-33.7176.2-58.2176.7000111.3I68 R69 Y73I68-L71 VanDerWaalsContact O-CB 3.28Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 WeakPolarHBondContact O-CG 3.32Å; I68-L71 PolarHBondContact O-N 2.97Å; R69-L71 PolarHBondContact O-N 3.23Å; R69-L71 VanDerWaalsContact O-N 3.12Å; L71-Y73 PolarHBondContact O-N 3Å
72S95.3Very high95.1Very high9 Ų955.1 Ų55.16%0.06329%0.29CS..Hα-helixtrans-68.7-23175.6-46.70000112.5K6 Y38 R69 P70K6-S72 WeakPolarHBondContact CE-O 3.49Å; K6-S72 PolarHBondContact NZ-O 3.17Å; Y38-S72 VanDerWaalsContact CE2-OG 3.26Å; Y38-S72 WeakPolarHBondContact CE2-OG 3.47Å; R69-S72 WeakPolarHBondContact O-CB 3.42Å; R69-S72 PolarHBondContact O-N 3.3Å; R69-S72 PolarHBondContact O-OG 3.23Å; P70-S72 PolarHBondContact O-N 3Å
73Y95.9Very high95.5Very high3 Ų351.2 Ų51.21%0.01227%0.269CS..Hα-helixtrans-78.8-21.8-175.9-63-13.3000114.1V8 V10 R69 P70 L71 Q75 A76 E101 N105 L106V8-Y73 HydrophobicContact CG1-CD1 3.89Å; V8-Y73 HydrophobicContact CG1-CE1 3.93Å; V10-Y73 HydrophobicContact CG1-CE1 3.44Å; V10-Y73 VanDerWaalsContact CG1-CE1 3.44Å; V10-Y73 VanDerWaalsContact CG1-OH 3.29Å; V10-Y73 WeakPolarHBondContact CG1-OH 3.5Å; R69-Y73 VanDerWaalsContact CD-OH 3.27Å; R69-Y73 WeakPolarHBondContact CD-OH 3.35Å; R69-Y73 HydrophobicContact CG-CE1 4.15Å; P70-Y73 WeakPolarHBondContact O-CB 3.16Å; P70-Y73 PolarHBondContact O-N 3.47Å; L71-Y73 PolarHBondContact O-N 3Å; Y73-Q75 PolarHBondContact O-N 3.11Å; Y73-Q75 VanDerWaalsContact O-N 3.16Å; Y73-A76 VanDerWaalsContact O-CB 3.28Å; Y73-A76 WeakPolarHBondContact O-CB 3.35Å; Y73-A76 PolarHBondContact O-N 3.26Å; Y73-E101 HydrophobicContact CE2-CG 4.27Å; Y73-E101 PolarHBondContact OH-OE1 3.06Å; Y73-N105 HydrophobicContact CD2-CB 3.63Å; Y73-N105 HydrophobicContact CE2-CB 4.42Å; Y73-L106 HydrophobicContact CG-CD1 4.21Å; Y73-L106 WeakPolarHBondContact O-CD2 3.41Å
74Q93.1Very high95.8Very high129 Ų12947.1 Ų47.160%0.60325%0.247SC*.THydrogen-bonded Turntrans-50.3125.2-176-68.7-173.9-16.100111.1K6 A76K6-Q74 WeakPolarHBondContact CE-O 3.36Å; K6-Q74 PolarHBondContact NZ-O 3.27Å; Q74-A76 PolarHBondContact O-N 3.38Å
75Q93.4Very high96.1Very high176 Ų17643.7 Ų43.782%0.82222%0.219SC*.THydrogen-bonded Turntrans60.623.1179.2-54.1174.1-2400115.2Y73 D77Y73-Q75 PolarHBondContact O-N 3.11Å; Y73-Q75 VanDerWaalsContact O-N 3.16Å; Q75-D77 PolarHBondContact O-N 2.97Å
76A97.9Very high96.3Very high4 Ų443.3 Ų43.33%0.03323%0.226CC..  trans-62.1130.117300000111.8V8 Y73 Q74 V79 L106 T109V8-A76 HydrophobicContact CG2-CB 3.64Å; Y73-A76 VanDerWaalsContact O-CB 3.28Å; Y73-A76 WeakPolarHBondContact O-CB 3.35Å; Y73-A76 PolarHBondContact O-N 3.26Å; Q74-A76 PolarHBondContact O-N 3.38Å; A76-V79 HydrophobicContact CB-CG2 4.47Å; A76-L106 HydrophobicContact CB-CD1 3.78Å; A76-L106 HydrophobicContact CB-CD2 4.35Å; A76-T109 HydrophobicContact CB-CG2 4.49Å; A76-T109 VanDerWaalsContact O-CG2 3.22Å; A76-T109 WeakPolarHBondContact O-CG2 3.27Å; A76-T109 PolarHBondContact O-OG1 2.93Å
77D98.2Very high96.6Very high41 Ų4138.9 Ų38.922%0.21921%0.214CC..SBendtrans-87-29.5177.2-67.2-61.9000112.1I5 K6 Q75 P110 A170I5-D77 WeakPolarHBondContact CA-OD2 3.45Å; I5-D77 HydrophobicContact CG2-CB 4.01Å; K6-D77 PolarHBondContact N-OD2 3.29Å; K6-D77 PolarHBondContact O-N 3.01Å; Q75-D77 PolarHBondContact O-N 2.97Å; D77-P110 VanDerWaalsContact O-CD 3.26Å; D77-P110 WeakPolarHBondContact O-CD 3.44Å; D77-P110 VanDerWaalsContact O-CG 3.24Å; D77-P110 WeakPolarHBondContact O-CG 3.36Å; D77-A170 HydrophobicContact CB-CB 3.96Å
78V98.7Very high96.8Very high0 Ų038.4 Ų38.40%020%0.2CC..EExtended strand (participates in β ladder)trans-153148177.162.20000110.5I5 K6 C7 V8 P110 L112 A166 T169 A170I5-V78 HydrophobicContact CG2-CG1 4.36Å; K6-V78 PolarHBondContact O-N 3.5Å; C7-V78 WeakPolarHBondContact CA-O 3.45Å; C7-V78 HydrophobicContact CB-CG1 3.92Å; V8-V78 PolarHBondContact N-O 3.42Å; V8-V78 VanDerWaalsContact N-O 3.1Å; V78-P110 HydrophobicContact CB-CG 4.35Å; V78-P110 HydrophobicContact CG2-CG 4.38Å; V78-L112 HydrophobicContact CG2-CD1 4.32Å; V78-L112 HydrophobicContact CG2-CG 4.47Å; V78-A166 HydrophobicContact CG1-CB 4.04Å; V78-A166 HydrophobicContact CG2-CB 4.36Å; V78-T169 HydrophobicContact CG2-CG2 4.46Å; V78-A170 HydrophobicContact CB-CB 4.21Å; V78-A170 HydrophobicContact CG1-CB 4.22Å
79V98.8Very high97.1Very high0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-120130.4175.8-179.60000109.9V8 V10 A76 I102 L106 T109 P110 V111 L112V8-V79 CarbonylContact O-C 3.53Å; V8-V79 WeakPolarHBondContact O-CA 3.33Å; V10-V79 HydrophobicContact CG1-CG1 4.22Å; V10-V79 HydrophobicContact CG2-CG1 3.6Å; A76-V79 HydrophobicContact CB-CG2 4.47Å; V79-I102 HydrophobicContact CG1-CD1 3.94Å; V79-I102 HydrophobicContact CG1-CG1 4.25Å; V79-I102 HydrophobicContact CG2-CG2 4.36Å; V79-L106 HydrophobicContact CG2-CD1 3.68Å; V79-T109 HydrophobicContact CG2-CG2 4.16Å; V79-P110 PolarHBondContact N-O 2.81Å; V79-V111 HydrophobicContact CB-CG2 4.23Å; V79-V111 CarbonylContact O-C 3.48Å; V79-V111 WeakPolarHBondContact O-CA 3.49Å; V79-L112 PolarHBondContact O-N 3.03Å
80L98.9Very high97.3Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-93.8112.1166.9-59.4-177.3000108.3V8 L9 V10 L112 V114 V162 F163 A166V8-L80 PolarHBondContact O-N 3Å; L9-L80 WeakPolarHBondContact CA-O 3.44Å; L9-L80 HydrophobicContact CD1-CD1 4.12Å; L9-L80 HydrophobicContact CG-CB 4.14Å; L9-L80 HydrophobicContact CG-CD1 4.04Å; V10-L80 PolarHBondContact N-O 3.49Å; L80-L112 HydrophobicContact CD2-CB 3.89Å; L80-L112 HydrophobicContact CD2-CD1 3.87Å; L80-L112 HydrophobicContact CD2-CG 4.41Å; L80-V114 HydrophobicContact CB-CG2 4.14Å; L80-V114 HydrophobicContact CD2-CG2 3.96Å; L80-V114 HydrophobicContact CG-CG2 4.5Å; L80-V162 HydrophobicContact CD1-CG1 3.65Å; L80-V162 HydrophobicContact CD2-CG1 4.12Å; L80-F163 HydrophobicContact CD1-CD1 4.38Å; L80-F163 HydrophobicContact CD1-CE1 4.01Å; L80-F163 HydrophobicContact CD1-CZ 4.5Å; L80-A166 HydrophobicContact CD2-CB 4.04Å
81M98.8Very high97.5Very high0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-99.1102178.4-177.8169.67100108.9V10 L94 W98 I99 I102 V111 L112 V113 V114 V143V10-M81 HydrophobicContact CG2-CB 4.21Å; V10-M81 HydrophobicContact CG2-CG 4.34Å; M81-L94 HydrophobicContact CE-CB 4.15Å; M81-L94 HydrophobicContact CE-CD1 4.5Å; M81-L94 HydrophobicContact CG-CD2 3.66Å; M81-L94 HydrophobicContact SD-CB 4.42Å; M81-L94 HydrophobicContact SD-CD2 4.28Å; M81-W98 HydrophobicContact CG-CB 4.1Å; M81-W98 HydrophobicContact SD-CB 3.65Å; M81-I99 HydrophobicContact CE-CB 4.44Å; M81-I99 HydrophobicContact CE-CD1 4.49Å; M81-I99 HydrophobicContact SD-CB 4.28Å; M81-I102 HydrophobicContact CB-CD1 4.16Å; M81-I102 HydrophobicContact CG-CD1 4.13Å; M81-I102 HydrophobicContact SD-CD1 3.62Å; M81-V111 HydrophobicContact CB-CG1 3.69Å; M81-V111 HydrophobicContact CE-CG1 4.18Å; M81-V111 HydrophobicContact SD-CG1 4.44Å; M81-L112 PolarHBondContact N-O 3.48Å; M81-V113 HydrophobicContact CE-CG2 3.73Å; M81-V113 WeakPolarHBondContact O-CA 3.28Å; M81-V114 PolarHBondContact O-N 2.92Å; M81-V143 HydrophobicContact CE-CG2 3.87Å
82C98.9Very high97.7Very high0 Ų037.6 Ų37.60%019%0.194CC..EExtended strand (participates in β ladder)trans-100.5143.2-166.2-55.80000112.7V10 G11 V15 K17 V114 T116V10-C82 PolarHBondContact O-N 2.72Å; G11-C82 WeakPolarHBondContact CA-O 3.43Å; V15-C82 HydrophobicContact CG2-CB 4.11Å; K17-C82 HydrophobicContact CD-CB 4.46Å; K17-C82 HydrophobicContact CG-CB 3.98Å; C82-V114 VanDerWaalsContact CA-O 3.29Å; C82-V114 WeakPolarHBondContact CA-O 3.36Å; C82-T116 HydrophobicContact CB-CG2 4.23Å
83Y98.9Very high97.9Very high0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-141.5157.4168.177.4-75.7000109.7V85 F91 L94 V113 V114 A115 T116 I131 Y148Y83-V85 HydrophobicContact CE2-CG1 4.49Å; Y83-F91 HydrophobicContact CD1-CD2 4.44Å; Y83-F91 HydrophobicContact CD2-CB 3.71Å; Y83-F91 AromaticContact CD2-CD2 3.77Å; Y83-F91 HydrophobicContact CD2-CD2 3.77Å; Y83-F91 HydrophobicContact CD2-CG 4.21Å; Y83-F91 HydrophobicContact CE1-CD2 4.18Å; Y83-F91 HydrophobicContact CE2-CB 4.09Å; Y83-F91 AromaticContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CE2 4.32Å; Y83-F91 HydrophobicContact CE2-CG 4.16Å; Y83-F91 HydrophobicContact CG-CB 4.38Å; Y83-F91 HydrophobicContact CG-CD2 4.22Å; Y83-F91 AromaticContact CZ-CD2 3.71Å; 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 4.2Å; Y83-V113 HydrophobicContact CE1-CG1 3.94Å; Y83-V114 WeakPolarHBondContact CD1-O 3.29Å; Y83-V114 PolarHBondContact N-O 3.46Å; Y83-A115 HydrophobicContact CD1-CB 4.28Å; Y83-A115 VanDerWaalsContact CE1-CA 3.5Å; Y83-A115 HydrophobicContact CE1-CB 3.44Å; Y83-A115 VanDerWaalsContact CE1-CB 3.44Å; Y83-A115 HydrophobicContact CE2-CB 4.26Å; Y83-A115 VanDerWaalsContact CZ-CB 3.42Å; Y83-A115 WeakPolarHBondContact OH-CB 3.39Å; Y83-T116 PolarHBondContact O-N 3.27Å; Y83-T116 PolarHBondContact O-OG1 3.4Å; Y83-I131 HydrophobicContact CE2-CB 4.04Å; Y83-I131 HydrophobicContact CE2-CD1 4.29Å; Y83-I131 HydrophobicContact CE2-CG1 4.28Å; Y83-I131 HydrophobicContact CE2-CG2 4.03Å; Y83-Y148 HydrophobicContact CE1-CE2 4.15Å; Y83-Y148 PolarHBondContact OH-OH 2.99Å; Y83-Y148 VanDerWaalsContact OH-OH 3.13Å
84S98.7Very high98Very high2 Ų239.3 Ų39.31%0.01420%0.203CC..EExtended strand (participates in β ladder)trans-90134.6174164.20000110.6A86 N87 S90 T116 Q117S84-A86 PolarHBondContact O-N 3.47Å; S84-A86 VanDerWaalsContact O-N 3.14Å; S84-A86 PolarHBondContact OG-N 3.15Å; S84-A86 VanDerWaalsContact OG-N 3.09Å; S84-N87 PolarHBondContact O-N 3.26Å; S84-S90 PolarHBondContact N-OG 3.04Å; S84-S90 VanDerWaalsContact N-OG 3.11Å; S84-T116 WeakPolarHBondContact CA-OG1 3.33Å; S84-Q117 VanDerWaalsContact CB-OE1 3.22Å; S84-Q117 PolarHBondContact OG-OE1 3.49Å
85V98.6Very high98.2Very high0 Ų038.6 Ų38.60%020%0.198CC..THydrogen-bonded Turntrans-62.8-17.7174.2-59.60000113.2Y83 A115 T116 Q117 T118 R121 C130 I131Y83-V85 HydrophobicContact CE2-CG1 4.49Å; V85-A115 HydrophobicContact CG1-CB 3.71Å; V85-T116 PolarHBondContact N-O 3.49Å; V85-Q117 WeakPolarHBondContact CG2-O 3.36Å; V85-T118 HydrophobicContact CG1-CG2 4.24Å; V85-R121 HydrophobicContact CG2-CB 4.14Å; V85-C130 HydrophobicContact CB-CB 4.4Å; V85-C130 HydrophobicContact CG2-CB 4.41Å; V85-C130 CarbonylContact O-C 3.37Å; V85-C130 WeakPolarHBondContact O-CA 3.36Å; V85-C130 VanDerWaalsContact O-CB 3.26Å; V85-C130 WeakPolarHBondContact O-CB 3.45Å; V85-I131 WeakPolarHBondContact O-CD1 3.28Å; V85-I131 PolarHBondContact O-N 2.8Å
86A97.7Very high98.5Very high47 Ų4736 Ų3639%0.38819%0.19SC..THydrogen-bonded Turntrans-92.3-4.6177.500000113.2S84 Q120S84-A86 PolarHBondContact O-N 3.47Å; S84-A86 VanDerWaalsContact O-N 3.14Å; S84-A86 PolarHBondContact OG-N 3.15Å; S84-A86 VanDerWaalsContact OG-N 3.09Å; A86-Q120 HydrophobicContact CB-CB 3.88Å; A86-Q120 HydrophobicContact CB-CG 4.09Å
87N98Very high98.5Very high63 Ų6337.8 Ų37.834%0.33720%0.197SC..  trans-125.298.1-175.4-176.2-20.6000111.8S84 N89 S90 F91S84-N87 PolarHBondContact O-N 3.26Å; N87-N89 VanDerWaalsContact C-N 3.33Å; N87-N89 PolarHBondContact O-N 2.72Å; N87-N89 WeakPolarHBondContact OD1-CB 3.49Å; N87-N89 PolarHBondContact OD1-N 2.84Å; N87-N89 VanDerWaalsContact OD1-N 3.07Å; N87-S90 PolarHBondContact O-N 3.13Å; N87-S90 VanDerWaalsContact O-N 3.15Å; N87-S90 PolarHBondContact O-OG 3.1Å; N87-S90 PolarHBondContact OD1-N 2.78Å; N87-S90 VanDerWaalsContact OD1-N 3.07Å; N87-F91 PolarHBondContact O-N 3.35Å
88H97.9Very high98.5Very high92 Ų9235.8 Ų35.843%0.42619%0.186SC..Hα-helixtrans-56.7-39.5177.5-68.591000114S90 F91 L92 S129H88-S90 VanDerWaalsContact C-N 3.3Å; H88-S90 PolarHBondContact O-N 3.29Å; H88-F91 WeakPolarHBondContact O-CB 3.4Å; H88-F91 PolarHBondContact O-N 2.81Å; H88-F91 VanDerWaalsContact O-N 3.15Å; H88-L92 WeakPolarHBondContact O-CG 3.43Å; H88-L92 PolarHBondContact O-N 2.78Å; H88-S129 PolarHBondContact CE1-O 2.94Å; H88-S129 PolarHBondContact NE2-O 2.81Å; H88-S129 VanDerWaalsContact NE2-O 3.13Å
89N98.3Very high98.5Very high109 Ų10937 Ų3758%0.58319%0.192SC*.Hα-helixtrans-63.7-40.3179-71.7-23.3000110.9N87 F91 L92 N93N87-N89 VanDerWaalsContact C-N 3.33Å; N87-N89 PolarHBondContact O-N 2.72Å; N87-N89 WeakPolarHBondContact OD1-CB 3.49Å; N87-N89 PolarHBondContact OD1-N 2.84Å; N87-N89 VanDerWaalsContact OD1-N 3.07Å; N89-F91 VanDerWaalsContact C-N 3.26Å; N89-F91 PolarHBondContact O-N 2.93Å; N89-L92 PolarHBondContact O-N 2.89Å; N89-N93 WeakPolarHBondContact O-CB 3.4Å; N89-N93 PolarHBondContact O-N 2.95Å; N89-N93 PolarHBondContact O-ND2 3.3Å
90S98.7Very high98.4Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-62.7-33.7176.277.30000112.9D12 S84 N87 H88 L94D12-S90 WeakPolarHBondContact OD2-CA 3.22Å; S84-S90 PolarHBondContact N-OG 3.04Å; S84-S90 VanDerWaalsContact N-OG 3.11Å; N87-S90 PolarHBondContact O-N 3.13Å; N87-S90 VanDerWaalsContact O-N 3.15Å; N87-S90 PolarHBondContact O-OG 3.1Å; N87-S90 PolarHBondContact OD1-N 2.78Å; N87-S90 VanDerWaalsContact OD1-N 3.07Å; H88-S90 VanDerWaalsContact C-N 3.3Å; H88-S90 PolarHBondContact O-N 3.29Å; S90-L94 PolarHBondContact O-N 2.99Å
91F98.8Very high98.4Very high24 Ų2439.8 Ų39.811%0.10522%0.216CC..Hα-helixtrans-68.5-48.1174.6178.5-110.3000112Y83 N87 H88 N89 N93 L94 I131 E135 L139Y83-F91 HydrophobicContact CD1-CD2 4.44Å; Y83-F91 HydrophobicContact CD2-CB 3.71Å; Y83-F91 AromaticContact CD2-CD2 3.77Å; Y83-F91 HydrophobicContact CD2-CD2 3.77Å; Y83-F91 HydrophobicContact CD2-CG 4.21Å; Y83-F91 HydrophobicContact CE1-CD2 4.18Å; Y83-F91 HydrophobicContact CE2-CB 4.09Å; Y83-F91 AromaticContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CD2 3.5Å; Y83-F91 HydrophobicContact CE2-CE2 4.32Å; Y83-F91 HydrophobicContact CE2-CG 4.16Å; Y83-F91 HydrophobicContact CG-CB 4.38Å; Y83-F91 HydrophobicContact CG-CD2 4.22Å; Y83-F91 AromaticContact CZ-CD2 3.71Å; N87-F91 PolarHBondContact O-N 3.35Å; H88-F91 WeakPolarHBondContact O-CB 3.4Å; H88-F91 PolarHBondContact O-N 2.81Å; H88-F91 VanDerWaalsContact O-N 3.15Å; N89-F91 VanDerWaalsContact C-N 3.26Å; N89-F91 PolarHBondContact O-N 2.93Å; F91-N93 VanDerWaalsContact C-N 3.3Å; F91-N93 PolarHBondContact O-N 3.1Å; F91-L94 VanDerWaalsContact O-CB 3.29Å; F91-L94 WeakPolarHBondContact O-CB 3.29Å; F91-L94 WeakPolarHBondContact O-CG 3.2Å; F91-L94 PolarHBondContact O-N 3.19Å; F91-L94 VanDerWaalsContact O-N 3.15Å; F91-I131 HydrophobicContact CB-CD1 4.17Å; F91-I131 HydrophobicContact CB-CG1 4.08Å; F91-I131 HydrophobicContact CD1-CG1 4.28Å; F91-I131 HydrophobicContact CD2-CG2 4.06Å; F91-I131 HydrophobicContact CE1-CG2 4.45Å; F91-I131 HydrophobicContact CE2-CG2 4Å; F91-I131 HydrophobicContact CG-CG1 4.06Å; F91-I131 HydrophobicContact CG-CG2 4.3Å; F91-I131 HydrophobicContact CZ-CG2 4.19Å; F91-E135 HydrophobicContact CZ-CB 4.15Å; F91-L139 HydrophobicContact CD1-CD1 4.32Å; F91-L139 HydrophobicContact CD2-CD1 3.94Å; F91-L139 HydrophobicContact CE1-CD1 3.93Å; F91-L139 HydrophobicContact CE2-CB 3.7Å; F91-L139 HydrophobicContact CE2-CD1 3.5Å; F91-L139 HydrophobicContact CE2-CD2 4.42Å; F91-L139 HydrophobicContact CE2-CG 4.05Å; F91-L139 HydrophobicContact CG-CD1 4.34Å; F91-L139 HydrophobicContact CZ-CB 3.63Å; F91-L139 HydrophobicContact CZ-CD1 3.5Å; F91-L139 HydrophobicContact CZ-CG 4.16Å
92L98.6Very high98.4Very high91 Ų9139.8 Ų39.848%0.47622%0.216SC..Hα-helixtrans-62.4-38.5177.6-65.3177.4000111.9H88 N89 L94 K95 N96H88-L92 WeakPolarHBondContact O-CG 3.43Å; H88-L92 PolarHBondContact O-N 2.78Å; N89-L92 PolarHBondContact O-N 2.89Å; L92-L94 PolarHBondContact O-N 2.94Å; L92-K95 PolarHBondContact O-N 3.36Å; L92-K95 VanDerWaalsContact O-N 3.16Å; L92-N96 PolarHBondContact O-N 3.24Å; L92-N96 VanDerWaalsContact O-N 3.08Å; L92-N96 PolarHBondContact O-ND2 2.93Å
93N98.8Very high98.3Very high47 Ų4743.1 Ų43.125%0.25123%0.229SC..Hα-helixtrans-63.5-20.8178.1-75.5-19.7000113.1D12 N89 F91 K95 K97 W98D12-N93 PolarHBondContact OD2-ND2 3.22Å; N89-N93 WeakPolarHBondContact O-CB 3.4Å; N89-N93 PolarHBondContact O-N 2.95Å; N89-N93 PolarHBondContact O-ND2 3.3Å; F91-N93 VanDerWaalsContact C-N 3.3Å; F91-N93 PolarHBondContact O-N 3.1Å; N93-K95 VanDerWaalsContact C-N 3.31Å; N93-K95 PolarHBondContact O-N 3.4Å; N93-K97 WeakPolarHBondContact O-CA 3.5Å; N93-K97 WeakPolarHBondContact O-CB 3.49Å; N93-K97 PolarHBondContact O-N 2.84Å; N93-W98 VanDerWaalsContact O-CD1 3.26Å; N93-W98 PolarHBondContact O-N 3.19Å
94L98.7Very high98.3Very high0 Ų048 Ų480%026%0.263CS..Iπ-helixtrans-58.4-45.5173.1-62.1-165.9000112M81 Y83 S90 F91 L92 I99 V113 L139M81-L94 HydrophobicContact CE-CB 4.15Å; M81-L94 HydrophobicContact CE-CD1 4.5Å; M81-L94 HydrophobicContact CG-CD2 3.66Å; M81-L94 HydrophobicContact SD-CB 4.42Å; M81-L94 HydrophobicContact SD-CD2 4.28Å; 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 2.99Å; F91-L94 VanDerWaalsContact O-CB 3.29Å; F91-L94 WeakPolarHBondContact O-CB 3.29Å; F91-L94 WeakPolarHBondContact O-CG 3.2Å; F91-L94 PolarHBondContact O-N 3.19Å; F91-L94 VanDerWaalsContact O-N 3.15Å; L92-L94 PolarHBondContact O-N 2.94Å; L94-I99 WeakPolarHBondContact O-CB 3.43Å; L94-I99 VanDerWaalsContact O-CG2 3.32Å; L94-I99 WeakPolarHBondContact O-CG2 3.39Å; L94-I99 PolarHBondContact O-N 2.91Å; L94-V113 HydrophobicContact CD1-CG1 3.88Å; L94-L139 HydrophobicContact CB-CD1 4.26Å; L94-L139 HydrophobicContact CB-CD2 3.87Å; L94-L139 HydrophobicContact CD1-CD2 3.69Å; L94-L139 HydrophobicContact CG-CD2 4.43Å
95K98Very high98.2Very high115 Ų11551.3 Ų51.350%0.528%0.28SS..Iπ-helixtrans-81.2-41-180-174.3174.6-178.3172.30111.9L92 N93 I99 L139 D142 V143L92-K95 PolarHBondContact O-N 3.36Å; L92-K95 VanDerWaalsContact O-N 3.16Å; N93-K95 VanDerWaalsContact C-N 3.31Å; N93-K95 PolarHBondContact O-N 3.4Å; K95-I99 WeakPolarHBondContact O-CG2 3.36Å; K95-L139 HydrophobicContact CB-CD1 4.47Å; K95-D142 IonicContact NZ-OD2 3.2Å; K95-V143 HydrophobicContact CB-CG1 4.38Å
96N98.1Very high98.1Very high122 Ų12252 Ų5265%0.65228%0.284SS*.Iπ-helixtrans-83.3-18.9-170.6-62.7-17.3000113.6L92L92-N96 PolarHBondContact O-N 3.24Å; L92-N96 VanDerWaalsContact O-N 3.08Å; L92-N96 PolarHBondContact O-ND2 2.93Å
97K97.9Very high98.1Very high40 Ų4054.2 Ų54.217%0.17429%0.294CS..Iπ-helixtrans-136.5-64.1-172174.8-175.5177.51760112.3D63 N93 I99 G100 E101D63-K97 WeakPolarHBondContact OD1-CE 3.43Å; D63-K97 IonicContact OD1-NZ 2.81Å; D63-K97 PolarHBondContact OD1-NZ 3.35Å; D63-K97 IonicContact OD2-NZ 3.81Å; D63-K97 PolarHBondContact OD2-NZ 2.92Å; N93-K97 WeakPolarHBondContact O-CA 3.5Å; N93-K97 WeakPolarHBondContact O-CB 3.49Å; N93-K97 PolarHBondContact O-N 2.84Å; K97-I99 PolarHBondContact O-N 2.98Å; K97-G100 PolarHBondContact O-N 2.91Å; K97-E101 PolarHBondContact O-N 3.16Å
98W98.4Very high97.9Very high0 Ų055.4 Ų55.40%031%0.306CS..Iπ-helixtrans-66.8-44-164.2-66.4111000113.2V10 G11 D12 R69 M81 N93 G100 E101 I102V10-W98 HydrophobicContact CB-CE3 4.17Å; V10-W98 HydrophobicContact CB-CZ3 4.32Å; V10-W98 HydrophobicContact CG2-CE3 4.49Å; G11-W98 VanDerWaalsContact C-CE2 3.42Å; G11-W98 VanDerWaalsContact CA-CE2 3.49Å; G11-W98 VanDerWaalsContact O-CZ2 3.28Å; G11-W98 WeakPolarHBondContact O-CZ2 3.15Å; D12-W98 WeakPolarHBondContact OD1-CZ2 3.39Å; D12-W98 PolarHBondContact OD1-NE1 3.44Å; R69-W98 VanDerWaalsContact CZ-CH2 3.43Å; R69-W98 VanDerWaalsContact NH1-CH2 3.35Å; M81-W98 HydrophobicContact CG-CB 4.1Å; M81-W98 HydrophobicContact SD-CB 3.65Å; N93-W98 VanDerWaalsContact O-CD1 3.26Å; N93-W98 PolarHBondContact O-N 3.19Å; W98-G100 VanDerWaalsContact C-N 3.3Å; W98-G100 PolarHBondContact O-N 2.94Å; W98-E101 PolarHBondContact O-N 3.08Å; W98-I102 WeakPolarHBondContact O-CB 3.5Å; W98-I102 WeakPolarHBondContact O-CD1 3.45Å; W98-I102 WeakPolarHBondContact O-CG1 3.34Å; W98-I102 PolarHBondContact O-N 3.46Å
99I98.5Very high97.9Very high24 Ų2451.5 Ų51.512%0.12329%0.289CS..Hα-helixtrans-63.1-38.7178.4-17065000112M81 L94 K95 K97 I102 R103 V143M81-I99 HydrophobicContact CE-CB 4.44Å; M81-I99 HydrophobicContact CE-CD1 4.49Å; M81-I99 HydrophobicContact SD-CB 4.28Å; L94-I99 WeakPolarHBondContact O-CB 3.43Å; L94-I99 VanDerWaalsContact O-CG2 3.32Å; L94-I99 WeakPolarHBondContact O-CG2 3.39Å; L94-I99 PolarHBondContact O-N 2.91Å; K95-I99 WeakPolarHBondContact O-CG2 3.36Å; K97-I99 PolarHBondContact O-N 2.98Å; I99-I102 PolarHBondContact O-N 2.78Å; I99-R103 HydrophobicContact CD1-CG 4.04Å; I99-R103 HydrophobicContact CG1-CG 4.12Å; I99-R103 WeakPolarHBondContact O-CB 3.29Å; I99-R103 WeakPolarHBondContact O-CG 3.13Å; I99-R103 PolarHBondContact O-N 2.8Å; I99-V143 HydrophobicContact CB-CB 4.32Å; I99-V143 HydrophobicContact CB-CG1 4.41Å; I99-V143 HydrophobicContact CD1-CB 4.25Å; I99-V143 HydrophobicContact CG1-CB 3.98Å; I99-V143 HydrophobicContact CG2-CG1 4.23Å
100G98.2Very high97.9Very high40 Ų4046.5 Ų46.541%0.41226%0.262SS..Hα-helixtrans-62.2-48.9176.500000111.4K97 W98 I102 R103 S104K97-G100 PolarHBondContact O-N 2.91Å; W98-G100 VanDerWaalsContact C-N 3.3Å; W98-G100 PolarHBondContact O-N 2.94Å; G100-I102 PolarHBondContact O-N 3.47Å; G100-R103 PolarHBondContact O-N 2.9Å; G100-S104 PolarHBondContact O-N 3.4Å; G100-S104 PolarHBondContact O-OG 3.18Å; G100-S104 VanDerWaalsContact O-OG 3.11Å
101E98.1Very high97.9Very high19 Ų1946.5 Ų46.59%0.08926%0.263CS..Hα-helixtrans-59.9-46.1177.2-171.4178.5125.700112.4R69 Y73 K97 W98 R103 S104 N105R69-E101 WeakPolarHBondContact CD-OE1 3.17Å; R69-E101 IonicContact CZ-OE1 3.72Å; R69-E101 IonicContact NE-OE1 3.98Å; R69-E101 IonicContact NH1-OE1 2.71Å; R69-E101 PolarHBondContact NH1-OE1 2.95Å; R69-E101 IonicContact NH1-OE2 2.98Å; R69-E101 PolarHBondContact NH1-OE2 3.32Å; Y73-E101 HydrophobicContact CE2-CG 4.27Å; Y73-E101 PolarHBondContact OH-OE1 3.06Å; K97-E101 PolarHBondContact O-N 3.16Å; W98-E101 PolarHBondContact O-N 3.08Å; E101-R103 PolarHBondContact O-N 2.85Å; E101-S104 PolarHBondContact O-N 3.41Å; E101-N105 PolarHBondContact O-N 3.15Å; E101-N105 PolarHBondContact O-ND2 3.29Å
102I98.3Very high97.9Very high0 Ų045.4 Ų45.40%026%0.258CS..Hα-helixtrans-60.7-46.2177.2-64.7160.6000110.1V10 V79 M81 W98 I99 G100 S104 N105 L106 V111V10-I102 HydrophobicContact CG2-CD1 3.69Å; V10-I102 HydrophobicContact CG2-CG1 4.09Å; V79-I102 HydrophobicContact CG1-CD1 3.94Å; V79-I102 HydrophobicContact CG1-CG1 4.25Å; V79-I102 HydrophobicContact CG2-CG2 4.36Å; M81-I102 HydrophobicContact CB-CD1 4.16Å; M81-I102 HydrophobicContact CG-CD1 4.13Å; M81-I102 HydrophobicContact SD-CD1 3.62Å; W98-I102 WeakPolarHBondContact O-CB 3.5Å; W98-I102 WeakPolarHBondContact O-CD1 3.45Å; W98-I102 WeakPolarHBondContact O-CG1 3.34Å; W98-I102 PolarHBondContact O-N 3.46Å; I99-I102 PolarHBondContact O-N 2.78Å; G100-I102 PolarHBondContact O-N 3.47Å; I102-S104 PolarHBondContact O-N 2.99Å; I102-N105 PolarHBondContact O-N 3.15Å; I102-L106 HydrophobicContact CG2-CB 4.38Å; I102-L106 CarbonylContact O-C 3.54Å; I102-L106 WeakPolarHBondContact O-CA 3.44Å; I102-L106 WeakPolarHBondContact O-CB 3.26Å; I102-L106 PolarHBondContact O-N 2.94Å; I102-V111 HydrophobicContact CD1-CG1 4.38Å; I102-V111 HydrophobicContact CD1-CG2 4.38Å; I102-V111 HydrophobicContact CG2-CG2 3.72Å
103R97.9Very high97.9Very high71 Ų7141 Ų4127%0.26824%0.235SC..Hα-helixtrans-71.3-30.8-174.7-68.4-70.3170.9-116.4-1.9113.2I99 G100 E101 N105 L106 P107 T109I99-R103 HydrophobicContact CD1-CG 4.04Å; I99-R103 HydrophobicContact CG1-CG 4.12Å; I99-R103 WeakPolarHBondContact O-CB 3.29Å; I99-R103 WeakPolarHBondContact O-CG 3.13Å; I99-R103 PolarHBondContact O-N 2.8Å; G100-R103 PolarHBondContact O-N 2.9Å; E101-R103 PolarHBondContact O-N 2.85Å; R103-N105 VanDerWaalsContact C-N 3.29Å; R103-N105 PolarHBondContact O-N 3.5Å; R103-L106 PolarHBondContact NH1-O 3.13Å; R103-P107 WeakPolarHBondContact O-CA 3.29Å; R103-P107 WeakPolarHBondContact O-CG 3.29Å; R103-T109 PolarHBondContact NH1-O 2.91Å
104S97.5Very high98Very high102 Ų10238.8 Ų38.871%0.71322%0.223SC*.Hα-helixtrans-64.7-32.6173-64.20000112.8G100 E101 I102G100-S104 PolarHBondContact O-N 3.4Å; G100-S104 PolarHBondContact O-OG 3.18Å; G100-S104 VanDerWaalsContact O-OG 3.11Å; E101-S104 PolarHBondContact O-N 3.41Å; I102-S104 PolarHBondContact O-N 2.99Å
105N97.6Very high98Very high71 Ų7138.8 Ų38.838%0.3822%0.223SC..Hα-helixtrans-99-29.3-178.1-68.4-79.1000113.6P70 Y73 E101 I102 R103P70-N105 WeakPolarHBondContact CB-OD1 3.43Å; Y73-N105 HydrophobicContact CD2-CB 3.63Å; Y73-N105 HydrophobicContact CE2-CB 4.42Å; E101-N105 PolarHBondContact O-N 3.15Å; E101-N105 PolarHBondContact O-ND2 3.29Å; I102-N105 PolarHBondContact O-N 3.15Å; R103-N105 VanDerWaalsContact C-N 3.29Å; R103-N105 PolarHBondContact O-N 3.5Å
106L97.2Very high98Very high15 Ų1533.5 Ų33.58%0.07920%0.2CC..  trans-136.869.2-172.7-62.6172.6000111.2Y73 A76 V79 I102 R103 C108 T109Y73-L106 HydrophobicContact CG-CD1 4.21Å; Y73-L106 WeakPolarHBondContact O-CD2 3.41Å; A76-L106 HydrophobicContact CB-CD1 3.78Å; A76-L106 HydrophobicContact CB-CD2 4.35Å; V79-L106 HydrophobicContact CG2-CD1 3.68Å; I102-L106 HydrophobicContact CG2-CB 4.38Å; I102-L106 CarbonylContact O-C 3.54Å; I102-L106 WeakPolarHBondContact O-CA 3.44Å; I102-L106 WeakPolarHBondContact O-CB 3.26Å; I102-L106 PolarHBondContact O-N 2.94Å; R103-L106 PolarHBondContact NH1-O 3.13Å; L106-C108 PolarHBondContact O-N 2.91Å; L106-C108 VanDerWaalsContact O-N 3.12Å; L106-T109 HydrophobicContact CD1-CG2 4.4Å; L106-T109 PolarHBondContact O-N 2.81Å
107P96Very high98Very high94 Ų9430.2 Ų30.261%0.6118%0.181SC*.THydrogen-bonded Turntrans-58.6-33.4-171.5-2533.5000114R103R103-P107 WeakPolarHBondContact O-CA 3.29Å; R103-P107 WeakPolarHBondContact O-CG 3.29Å
108C94.8Very high98Very high87 Ų8728.4 Ų28.459%0.58817%0.173SC*.THydrogen-bonded Turntrans-114.76.3-171.6-66.60000114.1L106 Q173 R177L106-C108 PolarHBondContact O-N 2.91Å; L106-C108 VanDerWaalsContact O-N 3.12Å; C108-Q173 PolarHBondContact O-NE2 2.85Å; C108-Q173 VanDerWaalsContact O-NE2 3.09Å; C108-R177 PolarHBondContact O-NH2 3.19Å
109T97.9Very high98Very high10 Ų1029.5 Ų29.56%0.06118%0.179CC..SBendtrans-84.2131.4-179-60.10000109.9A76 V79 R103 L106A76-T109 HydrophobicContact CB-CG2 4.49Å; A76-T109 VanDerWaalsContact O-CG2 3.22Å; A76-T109 WeakPolarHBondContact O-CG2 3.27Å; A76-T109 PolarHBondContact O-OG1 2.93Å; V79-T109 HydrophobicContact CG2-CG2 4.16Å; R103-T109 PolarHBondContact NH1-O 2.91Å; L106-T109 HydrophobicContact CD1-CG2 4.4Å; L106-T109 PolarHBondContact O-N 2.81Å
110P98.4Very high97.9Very high4 Ų431.8 Ų31.83%0.02619%0.189CC..  trans-63.9141.117827.8-35.7000111.1D77 V78 V79 K146 T169 Q173D77-P110 VanDerWaalsContact O-CD 3.26Å; D77-P110 WeakPolarHBondContact O-CD 3.44Å; D77-P110 VanDerWaalsContact O-CG 3.24Å; D77-P110 WeakPolarHBondContact O-CG 3.36Å; V78-P110 HydrophobicContact CB-CG 4.35Å; V78-P110 HydrophobicContact CG2-CG 4.38Å; V79-P110 PolarHBondContact N-O 2.81Å; P110-K146 HydrophobicContact CB-CG 3.66Å; P110-T169 HydrophobicContact CB-CG2 3.5Å; P110-T169 HydrophobicContact CG-CG2 3.85Å; P110-Q173 HydrophobicContact CG-CB 4.17Å; P110-Q173 HydrophobicContact CG-CG 4.21Å
111V98.8Very high97.8Very high1 Ų132.5 Ų32.51%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-119.2136.1177.9177.10000108.1V79 M81 I102 A145 K146V79-V111 HydrophobicContact CB-CG2 4.23Å; V79-V111 CarbonylContact O-C 3.48Å; V79-V111 WeakPolarHBondContact O-CA 3.49Å; M81-V111 HydrophobicContact CB-CG1 3.69Å; M81-V111 HydrophobicContact CE-CG1 4.18Å; M81-V111 HydrophobicContact SD-CG1 4.44Å; I102-V111 HydrophobicContact CD1-CG1 4.38Å; I102-V111 HydrophobicContact CD1-CG2 4.38Å; I102-V111 HydrophobicContact CG2-CG2 3.72Å; V111-A145 CarbonylContact O-C 3.6Å; V111-A145 WeakPolarHBondContact O-CA 3.09Å; V111-A145 WeakPolarHBondContact O-CB 3.49Å; V111-K146 PolarHBondContact O-N 2.89Å
112L98.9Very high97.4Very high0 Ų034.6 Ų34.60%019%0.189CC..EExtended strand (participates in β ladder)trans-110.6133.4168.3-62.6172.4000108.2V78 V79 L80 M81 K146 L149 C165 A166V78-L112 HydrophobicContact CG2-CD1 4.32Å; V78-L112 HydrophobicContact CG2-CG 4.47Å; V79-L112 PolarHBondContact O-N 3.03Å; L80-L112 HydrophobicContact CD2-CB 3.89Å; L80-L112 HydrophobicContact CD2-CD1 3.87Å; L80-L112 HydrophobicContact CD2-CG 4.41Å; M81-L112 PolarHBondContact N-O 3.48Å; L112-K146 HydrophobicContact CD2-CB 4.02Å; L112-L149 HydrophobicContact CB-CD1 4.21Å; L112-L149 HydrophobicContact CD1-CD1 3.98Å; L112-L149 HydrophobicContact CG-CD1 4.47Å; L112-C165 HydrophobicContact CD1-CB 4.26Å; L112-A166 HydrophobicContact CD1-CB 4.1Å
113V98.9Very high97.1Very high0 Ų042.3 Ų42.30%023%0.227CC..EExtended strand (participates in β ladder)trans-84.3129.8170.4174.20000108.2M81 Y83 L94 L139 A140 V143 A145 G147 Y148 L149M81-V113 HydrophobicContact CE-CG2 3.73Å; M81-V113 WeakPolarHBondContact O-CA 3.28Å; Y83-V113 HydrophobicContact CD1-CG1 4.2Å; Y83-V113 HydrophobicContact CE1-CG1 3.94Å; L94-V113 HydrophobicContact CD1-CG1 3.88Å; V113-L139 HydrophobicContact CG2-CD2 4.31Å; V113-A140 HydrophobicContact CB-CB 3.99Å; V113-A140 HydrophobicContact CG2-CB 3.88Å; V113-V143 HydrophobicContact CG2-CG2 4.12Å; V113-A145 HydrophobicContact CG2-CB 3.82Å; V113-G147 PolarHBondContact N-O 3.43Å; V113-Y148 HydrophobicContact CB-CD2 4.14Å; V113-Y148 HydrophobicContact CG1-CD2 3.79Å; V113-Y148 HydrophobicContact CG1-CE2 4.15Å; V113-Y148 WeakPolarHBondContact O-CA 3.26Å; V113-L149 PolarHBondContact O-N 3.35Å
114V98.9Very high96.8Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-123.2116.5-179.5-173.20000109.8L20 L80 M81 C82 Y83 T116 L149 V162L20-V114 HydrophobicContact CD2-CG1 4.32Å; L80-V114 HydrophobicContact CB-CG2 4.14Å; L80-V114 HydrophobicContact CD2-CG2 3.96Å; L80-V114 HydrophobicContact CG-CG2 4.5Å; M81-V114 PolarHBondContact O-N 2.92Å; C82-V114 VanDerWaalsContact CA-O 3.29Å; C82-V114 WeakPolarHBondContact CA-O 3.36Å; Y83-V114 WeakPolarHBondContact CD1-O 3.29Å; Y83-V114 PolarHBondContact N-O 3.46Å; V114-T116 HydrophobicContact CG1-CG2 4.23Å; V114-L149 CarbonylContact C-O 3.58Å; V114-L149 WeakPolarHBondContact CA-O 3.28Å; V114-V162 HydrophobicContact CG1-CG1 4.29Å; V114-V162 HydrophobicContact CG1-CG2 3.89Å; V114-V162 HydrophobicContact CG2-CG1 4.04Å
115A98.9Very high96.4Very high0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-86.8116170.600000109.4Y83 V85 Y148 L149 E150 C151Y83-A115 HydrophobicContact CD1-CB 4.28Å; Y83-A115 VanDerWaalsContact CE1-CA 3.5Å; Y83-A115 HydrophobicContact CE1-CB 3.44Å; Y83-A115 VanDerWaalsContact CE1-CB 3.44Å; Y83-A115 HydrophobicContact CE2-CB 4.26Å; Y83-A115 VanDerWaalsContact CZ-CB 3.42Å; Y83-A115 WeakPolarHBondContact OH-CB 3.39Å; V85-A115 HydrophobicContact CG1-CB 3.71Å; A115-Y148 HydrophobicContact CB-CE2 4.06Å; A115-L149 PolarHBondContact N-O 2.98Å; A115-E150 HydrophobicContact CB-CB 4.31Å; A115-E150 HydrophobicContact CB-CG 3.93Å; A115-E150 CarbonylContact O-C 3.58Å; A115-E150 VanDerWaalsContact O-CA 3.29Å; A115-E150 WeakPolarHBondContact O-CA 3.2Å; A115-C151 PolarHBondContact O-N 2.8Å
116T98.8Very high96.2Very high4 Ų443.1 Ų43.13%0.02523%0.232CC..EExtended strand (participates in β ladder)trans-100.6169.2-178.563.20000111.1V15 C82 Y83 S84 V85 V114 T118 C151V15-T116 VanDerWaalsContact O-CB 3.27Å; V15-T116 WeakPolarHBondContact O-CB 3.09Å; V15-T116 PolarHBondContact O-OG1 2.94Å; C82-T116 HydrophobicContact CB-CG2 4.23Å; Y83-T116 PolarHBondContact O-N 3.27Å; Y83-T116 PolarHBondContact O-OG1 3.4Å; S84-T116 WeakPolarHBondContact CA-OG1 3.33Å; V85-T116 PolarHBondContact N-O 3.49Å; V114-T116 HydrophobicContact CG1-CG2 4.23Å; T116-T118 VanDerWaalsContact C-N 3.31Å; T116-T118 PolarHBondContact O-N 3.36Å; T116-C151 CarbonylContact C-O 3.58Å; T116-C151 WeakPolarHBondContact CA-O 3.4Å
117Q98.2Very high96Very high52 Ų5249.5 Ų49.524%0.24326%0.256CS..  trans61.735.7174.5-55.5173-4.900112.8A14 S84 V85 D119 Q120 C151A14-Q117 PolarHBondContact O-NE2 3.17Å; S84-Q117 VanDerWaalsContact CB-OE1 3.22Å; S84-Q117 PolarHBondContact OG-OE1 3.49Å; V85-Q117 WeakPolarHBondContact CG2-O 3.36Å; Q117-D119 WeakPolarHBondContact CA-OD1 3.35Å; Q117-D119 PolarHBondContact O-N 2.85Å; Q117-D119 VanDerWaalsContact O-N 3.09Å; Q117-Q120 HydrophobicContact CB-CG 4.2Å; Q117-Q120 WeakPolarHBondContact O-CB 3.49Å; Q117-Q120 PolarHBondContact O-N 2.84Å; Q117-C151 PolarHBondContact N-O 2.82Å
118T98.4Very high95.8Very high3 Ų350.2 Ų50.22%0.01827%0.269CS..THydrogen-bonded Turntrans-60.2-21.1-179.258.10000114.1V85 T116 Q120 R121 E122 E150 C151 S152V85-T118 HydrophobicContact CG1-CG2 4.24Å; T116-T118 VanDerWaalsContact C-N 3.31Å; T116-T118 PolarHBondContact O-N 3.36Å; T118-Q120 PolarHBondContact O-N 2.9Å; T118-R121 WeakPolarHBondContact O-CB 3.44Å; T118-R121 PolarHBondContact O-N 3.16Å; T118-E122 PolarHBondContact O-N 2.87Å; T118-E150 HydrophobicContact CG2-CB 3.76Å; T118-C151 PolarHBondContact N-O 3.05Å; T118-S152 WeakPolarHBondContact OG1-CB 3.18Å
119D97.4Very high95.8Very high22 Ų2248.9 Ų48.912%0.11826%0.261CS..Hα-helixtrans-53.5-32.7169.750.3-81.4000112.7Q117 R121 E122 M123 S152 L154Q117-D119 WeakPolarHBondContact CA-OD1 3.35Å; Q117-D119 PolarHBondContact O-N 2.85Å; Q117-D119 VanDerWaalsContact O-N 3.09Å; D119-R121 VanDerWaalsContact C-N 3.29Å; D119-R121 PolarHBondContact O-N 2.75Å; D119-E122 PolarHBondContact O-N 3.45Å; D119-E122 VanDerWaalsContact O-N 3.13Å; D119-M123 PolarHBondContact O-N 2.83Å; D119-S152 WeakPolarHBondContact CB-OG 3.41Å; D119-S152 VanDerWaalsContact OD1-CB 3.25Å; D119-S152 WeakPolarHBondContact OD1-CB 3.38Å; D119-S152 PolarHBondContact OD1-OG 2.98Å; D119-L154 HydrophobicContact CB-CD2 4.34Å
120Q96.9Very high95.9Very high72 Ų7249 Ų4934%0.33626%0.262SS..Hα-helixtrans-66.4-30.6176.1-64.7-67.1-18.700112.8A86 Q117 T118 E122 G124 R127A86-Q120 HydrophobicContact CB-CB 3.88Å; A86-Q120 HydrophobicContact CB-CG 4.09Å; Q117-Q120 HydrophobicContact CB-CG 4.2Å; Q117-Q120 WeakPolarHBondContact O-CB 3.49Å; Q117-Q120 PolarHBondContact O-N 2.84Å; T118-Q120 PolarHBondContact O-N 2.9Å; Q120-E122 VanDerWaalsContact C-N 3.33Å; Q120-G124 WeakPolarHBondContact O-CA 3.48Å; Q120-G124 PolarHBondContact O-N 3.17Å; Q120-R127 WeakPolarHBondContact O-CA 3.27Å; Q120-R127 WeakPolarHBondContact O-CB 3.48Å
121R95.5Very high95.9Very high56 Ų5648.9 Ų48.921%0.21126%0.261CS..Hα-helixtrans-80.7-17.4175.4-173170.958.3-159.30.5112.5V85 T118 D119 R127 C130 I131 E150V85-R121 HydrophobicContact CG2-CB 4.14Å; T118-R121 WeakPolarHBondContact O-CB 3.44Å; T118-R121 PolarHBondContact O-N 3.16Å; D119-R121 VanDerWaalsContact C-N 3.29Å; D119-R121 PolarHBondContact O-N 2.75Å; R121-R127 WeakPolarHBondContact O-CB 3.49Å; R121-C130 HydrophobicContact CB-CB 3.67Å; R121-C130 HydrophobicContact CG-CB 3.7Å; R121-I131 PolarHBondContact NH1-O 3.07Å; R121-E150 IonicContact CZ-OE1 3.45Å; R121-E150 IonicContact CZ-OE2 2.78Å; R121-E150 IonicContact NH1-OE1 2.77Å; R121-E150 PolarHBondContact NH1-OE1 3.42Å; R121-E150 IonicContact NH2-OE1 3.38Å; R121-E150 PolarHBondContact NH2-OE1 3.01Å; R121-E150 IonicContact NH2-OE2 2.72Å; R121-E150 PolarHBondContact NH2-OE2 2.82Å
122E90.3Very high95.8Very high63 Ų6352.2 Ų52.229%0.29428%0.279SS..Hα-helixtrans-92.2-48.6178.6-65.2173-145.900110.7T118 D119 Q120 R127 R157T118-E122 PolarHBondContact O-N 2.87Å; D119-E122 PolarHBondContact O-N 3.45Å; D119-E122 VanDerWaalsContact O-N 3.13Å; Q120-E122 VanDerWaalsContact C-N 3.33Å; E122-R127 PolarHBondContact O-NH1 2.89Å; E122-R157 IonicContact OE1-CZ 2.62Å; E122-R157 IonicContact OE1-NH1 3.94Å; E122-R157 PolarHBondContact OE1-NH1 2.87Å; E122-R157 IonicContact OE2-CZ 3.67Å; E122-R157 IonicContact OE2-NH1 3.03Å; E122-R157 PolarHBondContact OE2-NH1 2.77Å; E122-R157 IonicContact OE2-NH2 2.7Å; E122-R157 PolarHBondContact OE2-NH2 2.7Å
123M92.6Very high95.8Very high161 Ų16153.6 Ų53.679%0.79329%0.29SS*.Hα-helixtrans-125.3-8.2-166.6-55-58.2-72.900114D119D119-M123 PolarHBondContact O-N 2.83Å
124G90.1Very high95.8Very high8 Ų861 Ų618%0.08233%0.327CS..  trans-73153.4-175.400000113.6Q120 H126 R127Q120-G124 WeakPolarHBondContact O-CA 3.48Å; Q120-G124 PolarHBondContact O-N 3.17Å; G124-H126 PolarHBondContact O-N 3.39Å; G124-H126 VanDerWaalsContact O-N 3.17Å; G124-R127 WeakPolarHBondContact O-CB 3.49Å; G124-R127 WeakPolarHBondContact O-CG 3.1Å; G124-R127 PolarHBondContact O-N 3.41Å; G124-R127 VanDerWaalsContact O-N 3.15Å
125P89.9Confident95.7Very high116 Ų11665 Ų6575%0.75335%0.345SS*.THydrogen-bonded Turntrans-62.8-25.3-179.325.8-34.4000112.8
126H92.2Very high95.7Very high137 Ų13765 Ų6563%0.63435%0.345SS*.THydrogen-bonded Turntrans-108.722.4-179.6-58.3-60.5000113.1G124 A128 S129G124-H126 PolarHBondContact O-N 3.39Å; G124-H126 VanDerWaalsContact O-N 3.17Å; H126-A128 PolarHBondContact O-N 2.86Å; H126-S129 PolarHBondContact O-N 3.19Å; H126-S129 PolarHBondContact O-OG 3.26Å
127R93.1Very high95.7Very high150 Ų15070.4 Ų70.457%0.56637%0.369SS*.G310 helixtrans-50.3-34.4-175.162.9-179.6-176.6-171.4-1.8115.4Q120 R121 E122 G124 S129 C130Q120-R127 WeakPolarHBondContact O-CA 3.27Å; Q120-R127 WeakPolarHBondContact O-CB 3.48Å; R121-R127 WeakPolarHBondContact O-CB 3.49Å; E122-R127 PolarHBondContact O-NH1 2.89Å; G124-R127 WeakPolarHBondContact O-CB 3.49Å; G124-R127 WeakPolarHBondContact O-CG 3.1Å; G124-R127 PolarHBondContact O-N 3.41Å; G124-R127 VanDerWaalsContact O-N 3.15Å; R127-S129 PolarHBondContact O-N 2.89Å; R127-C130 WeakPolarHBondContact O-CB 3.32Å; R127-C130 PolarHBondContact O-N 3.19Å
128A93.3Very high95.7Very high108 Ų10874.3 Ų74.389%0.89339%0.385SS*.G310 helixtrans-68.5-21.2-179.900000113.4H126H126-A128 PolarHBondContact O-N 2.86Å
129S95.1Very high95.7Very high60 Ų6074.7 Ų74.742%0.4239%0.387SS..G310 helixtrans-96-3.217668.10000113.1H88 H126 R127H88-S129 PolarHBondContact CE1-O 2.94Å; H88-S129 PolarHBondContact NE2-O 2.81Å; H88-S129 VanDerWaalsContact NE2-O 3.13Å; H126-S129 PolarHBondContact O-N 3.19Å; H126-S129 PolarHBondContact O-OG 3.26Å; R127-S129 PolarHBondContact O-N 2.89Å
130C98.1Very high95.8Very high13 Ų1374 Ų749%0.08838%0.384CS..SBendtrans-67.2142.6-179.9-72.20000111.2V85 R121 R127 N132V85-C130 HydrophobicContact CB-CB 4.4Å; V85-C130 HydrophobicContact CG2-CB 4.41Å; V85-C130 CarbonylContact O-C 3.37Å; V85-C130 WeakPolarHBondContact O-CA 3.36Å; V85-C130 VanDerWaalsContact O-CB 3.26Å; V85-C130 WeakPolarHBondContact O-CB 3.45Å; R121-C130 HydrophobicContact CB-CB 3.67Å; R121-C130 HydrophobicContact CG-CB 3.7Å; R127-C130 WeakPolarHBondContact O-CB 3.32Å; R127-C130 PolarHBondContact O-N 3.19Å; C130-N132 PolarHBondContact O-N 3.35Å
131I98.4Very high95.9Very high0 Ų077.5 Ų77.50%040%0.4CS..PPolyproline II helixtrans-56.5128.3173.7-60.390.6000108.5Y83 V85 F91 R121 E135Y83-I131 HydrophobicContact CE2-CB 4.04Å; Y83-I131 HydrophobicContact CE2-CD1 4.29Å; Y83-I131 HydrophobicContact CE2-CG1 4.28Å; Y83-I131 HydrophobicContact CE2-CG2 4.03Å; V85-I131 WeakPolarHBondContact O-CD1 3.28Å; V85-I131 PolarHBondContact O-N 2.8Å; F91-I131 HydrophobicContact CB-CD1 4.17Å; F91-I131 HydrophobicContact CB-CG1 4.08Å; F91-I131 HydrophobicContact CD1-CG1 4.28Å; F91-I131 HydrophobicContact CD2-CG2 4.06Å; F91-I131 HydrophobicContact CE1-CG2 4.45Å; F91-I131 HydrophobicContact CE2-CG2 4Å; F91-I131 HydrophobicContact CG-CG1 4.06Å; F91-I131 HydrophobicContact CG-CG2 4.3Å; F91-I131 HydrophobicContact CZ-CG2 4.19Å; R121-I131 PolarHBondContact NH1-O 3.07Å; I131-E135 HydrophobicContact CG2-CB 3.83Å
132N98Very high96Very high72 Ų7279.1 Ų79.139%0.38541%0.413SS..PPolyproline II helixtrans-87.3165.6-179.270.757.2000111.9C130 M134 E135 G136C130-N132 PolarHBondContact O-N 3.35Å; N132-M134 PolarHBondContact O-N 3.33Å; N132-M134 WeakPolarHBondContact OD1-CA 3.41Å; N132-M134 VanDerWaalsContact OD1-CB 3.24Å; N132-M134 WeakPolarHBondContact OD1-CB 3.47Å; N132-M134 PolarHBondContact OD1-N 3.03Å; N132-E135 VanDerWaalsContact CG-OE2 3.27Å; N132-E135 PolarHBondContact N-OE2 3.07Å; N132-E135 PolarHBondContact ND2-OE2 2.76Å; N132-E135 PolarHBondContact O-N 2.89Å; N132-E135 PolarHBondContact OD1-N 3.33Å; N132-G136 PolarHBondContact O-N 3.32Å; N132-G136 VanDerWaalsContact O-N 3.15Å
133A98.2Very high96.4Very high29 Ų2976.7 Ų76.724%0.2440%0.402CS..Hα-helixtrans-64.5-26.4-177.500000113.5K137 Y148A133-K137 WeakPolarHBondContact O-CB 3.45Å; A133-K137 WeakPolarHBondContact O-CG 3.26Å; A133-K137 PolarHBondContact O-N 3.28Å; A133-Y148 HydrophobicContact CB-CE1 4.28Å
134M98.5Very high96.6Very high155 Ų15579.2 Ų79.276%0.76440%0.403SS*.Hα-helixtrans-69.8-44.6178.7-171.9-174-63.100110.8N132 K137 K138N132-M134 PolarHBondContact O-N 3.33Å; N132-M134 WeakPolarHBondContact OD1-CA 3.41Å; N132-M134 VanDerWaalsContact OD1-CB 3.24Å; N132-M134 WeakPolarHBondContact OD1-CB 3.47Å; N132-M134 PolarHBondContact OD1-N 3.03Å; M134-K137 PolarHBondContact O-N 2.62Å; M134-K138 WeakPolarHBondContact O-CB 3.34Å; M134-K138 PolarHBondContact O-N 2.72Å
135E98.4Very high97Very high83 Ų8379.8 Ų79.839%0.38841%0.407SS..Hα-helixtrans-61.7-45174.7-65.9173.6110.300111.4F91 I131 N132 K137 K138 L139F91-E135 HydrophobicContact CZ-CB 4.15Å; I131-E135 HydrophobicContact CG2-CB 3.83Å; N132-E135 VanDerWaalsContact CG-OE2 3.27Å; N132-E135 PolarHBondContact N-OE2 3.07Å; N132-E135 PolarHBondContact ND2-OE2 2.76Å; N132-E135 PolarHBondContact O-N 2.89Å; N132-E135 PolarHBondContact OD1-N 3.33Å; E135-K137 PolarHBondContact O-N 2.7Å; E135-K138 PolarHBondContact O-N 3.11Å; E135-L139 PolarHBondContact O-N 2.71Å
136G98.6Very high97.4Very high0 Ų080 Ų800%040%0.396CS..Hα-helixtrans-58.6-47175.900000113.4N132 L139 A140 Y148N132-G136 PolarHBondContact O-N 3.32Å; N132-G136 VanDerWaalsContact O-N 3.15Å; G136-L139 PolarHBondContact O-N 2.98Å; G136-A140 WeakPolarHBondContact O-CB 3.39Å; G136-A140 PolarHBondContact O-N 3.15Å; G136-Y148 VanDerWaalsContact C-CD2 3.47Å; G136-Y148 VanDerWaalsContact C-CE2 3.44Å; G136-Y148 WeakPolarHBondContact O-CD2 3.33Å
137K98.8Very high97.7Very high119 Ų11974.5 Ų74.552%0.51738%0.376SS..Hα-helixtrans-62.1-43.2175.4-74.8172.3-175.5177.80112.1A133 M134 E135 A140 Q141 Y148A133-K137 WeakPolarHBondContact O-CB 3.45Å; A133-K137 WeakPolarHBondContact O-CG 3.26Å; A133-K137 PolarHBondContact O-N 3.28Å; M134-K137 PolarHBondContact O-N 2.62Å; E135-K137 PolarHBondContact O-N 2.7Å; K137-A140 PolarHBondContact O-N 3.15Å; K137-Q141 WeakPolarHBondContact O-CG 2.91Å; K137-Q141 PolarHBondContact O-N 3.05Å; K137-Q141 VanDerWaalsContact O-N 3.08Å; K137-Y148 HydrophobicContact CD-CD1 4.45Å; K137-Y148 HydrophobicContact CG-CD1 3.44Å; K137-Y148 VanDerWaalsContact CG-CD1 3.44Å; K137-Y148 HydrophobicContact CG-CE1 3.99Å; K137-Y148 HydrophobicContact CG-CG 3.93Å
138K98.8Very high98Very high133 Ų13369.1 Ų69.158%0.57836%0.356SS*.Hα-helixtrans-61.1-47.7177.2-177.3176.5179178.90111M134 E135 A140 Q141 D142M134-K138 WeakPolarHBondContact O-CB 3.34Å; M134-K138 PolarHBondContact O-N 2.72Å; E135-K138 PolarHBondContact O-N 3.11Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 2.71Å; K138-Q141 WeakPolarHBondContact O-CB 3.46Å; K138-Q141 PolarHBondContact O-N 2.98Å; K138-Q141 VanDerWaalsContact O-N 3.14Å; K138-D142 PolarHBondContact O-N 2.6Å
139L98.6Very high98.3Very high12 Ų1265.3 Ų65.36%0.06332%0.321CS..Hα-helixtrans-61.5-41.2176.7-177.8145.7000111.7F91 L94 K95 V113 E135 G136 Q141 D142 V143F91-L139 HydrophobicContact CD1-CD1 4.32Å; F91-L139 HydrophobicContact CD2-CD1 3.94Å; F91-L139 HydrophobicContact CE1-CD1 3.93Å; F91-L139 HydrophobicContact CE2-CB 3.7Å; F91-L139 HydrophobicContact CE2-CD1 3.5Å; F91-L139 HydrophobicContact CE2-CD2 4.42Å; F91-L139 HydrophobicContact CE2-CG 4.05Å; F91-L139 HydrophobicContact CG-CD1 4.34Å; F91-L139 HydrophobicContact CZ-CB 3.63Å; F91-L139 HydrophobicContact CZ-CD1 3.5Å; F91-L139 HydrophobicContact CZ-CG 4.16Å; L94-L139 HydrophobicContact CB-CD1 4.26Å; L94-L139 HydrophobicContact CB-CD2 3.87Å; L94-L139 HydrophobicContact CD1-CD2 3.69Å; L94-L139 HydrophobicContact CG-CD2 4.43Å; K95-L139 HydrophobicContact CB-CD1 4.47Å; V113-L139 HydrophobicContact CG2-CD2 4.31Å; E135-L139 PolarHBondContact O-N 2.71Å; G136-L139 PolarHBondContact O-N 2.98Å; L139-Q141 VanDerWaalsContact C-N 3.25Å; L139-Q141 PolarHBondContact O-N 2.84Å; L139-D142 PolarHBondContact O-N 2.82Å; L139-V143 HydrophobicContact CD2-CG1 4.19Å; L139-V143 HydrophobicContact CD2-CG2 4.34Å; L139-V143 HydrophobicContact CG-CG1 4.41Å; L139-V143 VanDerWaalsContact O-CG2 3.32Å; L139-V143 WeakPolarHBondContact O-CG2 3.4Å; L139-V143 PolarHBondContact O-N 3.04Å
140A98.7Very high98.4Very high6 Ų665.2 Ų65.25%0.0531%0.314CS..Hα-helixtrans-59.2-37.2176.500000112.3V113 G136 K137 K138 R144 A145 Y148V113-A140 HydrophobicContact CB-CB 3.99Å; V113-A140 HydrophobicContact CG2-CB 3.88Å; G136-A140 WeakPolarHBondContact O-CB 3.39Å; G136-A140 PolarHBondContact O-N 3.15Å; K137-A140 PolarHBondContact O-N 3.15Å; K138-A140 VanDerWaalsContact C-N 3.32Å; K138-A140 PolarHBondContact O-N 2.71Å; A140-R144 PolarHBondContact O-N 3.47Å; A140-A145 HydrophobicContact CB-CB 4.18Å; A140-A145 WeakPolarHBondContact O-CB 3.48Å; A140-A145 PolarHBondContact O-N 3.09Å; A140-Y148 HydrophobicContact CB-CD2 4.37Å
141Q98.6Very high98.5Very high147 Ų14764.7 Ų64.769%0.68731%0.31SS*.Hα-helixtrans-67.5-48172.8-68172.1-4.300111.6K137 K138 L139 V143 R144K137-Q141 WeakPolarHBondContact O-CG 2.91Å; K137-Q141 PolarHBondContact O-N 3.05Å; K137-Q141 VanDerWaalsContact O-N 3.08Å; K138-Q141 WeakPolarHBondContact O-CB 3.46Å; K138-Q141 PolarHBondContact O-N 2.98Å; K138-Q141 VanDerWaalsContact O-N 3.14Å; L139-Q141 VanDerWaalsContact C-N 3.25Å; L139-Q141 PolarHBondContact O-N 2.84Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 3.14Å; Q141-R144 WeakPolarHBondContact O-CA 3.22Å; Q141-R144 PolarHBondContact O-N 3.04Å
142D98.2Very high98.5Very high89 Ų8964.7 Ų64.748%0.47631%0.31SS..Hα-helixtrans-56.1-41.5-179.8-73.5-3.5000112.2K95 K138 L139 R144K95-D142 IonicContact NZ-OD2 3.2Å; K138-D142 PolarHBondContact O-N 2.6Å; L139-D142 PolarHBondContact O-N 2.82Å; D142-R144 VanDerWaalsContact C-N 3.27Å; D142-R144 PolarHBondContact O-N 2.63Å
143V98Very high98.5Very high12 Ų1261.8 Ų61.87%0.07330%0.296CS..THydrogen-bonded Turntrans-86.95.6179.2-54.20000113.5M81 K95 I99 V113 L139 Q141 A145M81-V143 HydrophobicContact CE-CG2 3.87Å; K95-V143 HydrophobicContact CB-CG1 4.38Å; I99-V143 HydrophobicContact CB-CB 4.32Å; I99-V143 HydrophobicContact CB-CG1 4.41Å; I99-V143 HydrophobicContact CD1-CB 4.25Å; I99-V143 HydrophobicContact CG1-CB 3.98Å; I99-V143 HydrophobicContact CG2-CG1 4.23Å; V113-V143 HydrophobicContact CG2-CG2 4.12Å; L139-V143 HydrophobicContact CD2-CG1 4.19Å; L139-V143 HydrophobicContact CD2-CG2 4.34Å; L139-V143 HydrophobicContact CG-CG1 4.41Å; L139-V143 VanDerWaalsContact O-CG2 3.32Å; L139-V143 WeakPolarHBondContact O-CG2 3.4Å; L139-V143 PolarHBondContact O-N 3.04Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 PolarHBondContact O-N 3.14Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 HydrophobicContact CG2-CB 4.06Å; V143-A145 PolarHBondContact O-N 2.91Å
144R98.1Very high98.4Very high215 Ų21564.7 Ų64.781%0.81131%0.307SS*.THydrogen-bonded Turntrans54.938-178.9-54.2178.9-177.7-179.6-0.2113.2A140 Q141 D142A140-R144 PolarHBondContact O-N 3.47Å; Q141-R144 WeakPolarHBondContact O-CA 3.22Å; Q141-R144 PolarHBondContact O-N 3.04Å; D142-R144 VanDerWaalsContact C-N 3.27Å; D142-R144 PolarHBondContact O-N 2.63Å
145A98.5Very high98.3Very high19 Ų1960.4 Ų60.416%0.15729%0.292CS..  trans-65.9157.3171.100000110.8V111 V113 A140 V143 G147V111-A145 CarbonylContact O-C 3.6Å; V111-A145 WeakPolarHBondContact O-CA 3.09Å; V111-A145 WeakPolarHBondContact O-CB 3.49Å; V113-A145 HydrophobicContact CG2-CB 3.82Å; A140-A145 HydrophobicContact CB-CB 4.18Å; A140-A145 WeakPolarHBondContact O-CB 3.48Å; A140-A145 PolarHBondContact O-N 3.09Å; V143-A145 VanDerWaalsContact C-N 3.26Å; V143-A145 HydrophobicContact CG2-CB 4.06Å; V143-A145 PolarHBondContact O-N 2.91Å; A145-G147 VanDerWaalsContact C-N 3.31Å
146K98.3Very high98.2Very high121 Ų12160.3 Ų60.353%0.52629%0.294SS..SBendtrans-81.4-12.4177.1-67.1-53.7-174.5-169.10113.5P110 V111 L112 T169P110-K146 HydrophobicContact CB-CG 3.66Å; V111-K146 PolarHBondContact O-N 2.89Å; L112-K146 HydrophobicContact CD2-CB 4.02Å; K146-T169 HydrophobicContact CB-CG2 4.02Å; K146-T169 HydrophobicContact CG-CG2 4.19Å
147G98.1Very high98.2Very high21 Ų2167 Ų6722%0.21632%0.32CS..EExtended strand (participates in β ladder)trans-176.3165.2-178.900000111.7V113 A145V113-G147 PolarHBondContact N-O 3.43Å; A145-G147 VanDerWaalsContact C-N 3.31Å
148Y98.9Very high98.2Very high37 Ų3762 Ų6215%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-126.2129.3173.2173.3-101.1000107.9Y83 V113 A115 A133 G136 K137 A140 E150Y83-Y148 HydrophobicContact CE1-CE2 4.15Å; Y83-Y148 PolarHBondContact OH-OH 2.99Å; Y83-Y148 VanDerWaalsContact OH-OH 3.13Å; V113-Y148 HydrophobicContact CB-CD2 4.14Å; V113-Y148 HydrophobicContact CG1-CD2 3.79Å; V113-Y148 HydrophobicContact CG1-CE2 4.15Å; V113-Y148 WeakPolarHBondContact O-CA 3.26Å; A115-Y148 HydrophobicContact CB-CE2 4.06Å; A133-Y148 HydrophobicContact CB-CE1 4.28Å; G136-Y148 VanDerWaalsContact C-CD2 3.47Å; G136-Y148 VanDerWaalsContact C-CE2 3.44Å; G136-Y148 WeakPolarHBondContact O-CD2 3.33Å; K137-Y148 HydrophobicContact CD-CD1 4.45Å; K137-Y148 HydrophobicContact CG-CD1 3.44Å; K137-Y148 VanDerWaalsContact CG-CD1 3.44Å; K137-Y148 HydrophobicContact CG-CE1 3.99Å; K137-Y148 HydrophobicContact CG-CG 3.93Å; A140-Y148 HydrophobicContact CB-CD2 4.37Å; Y148-E150 HydrophobicContact CD1-CG 4.38Å; Y148-E150 HydrophobicContact CE1-CG 3.43Å; Y148-E150 VanDerWaalsContact CE1-CG 3.43Å; Y148-E150 WeakPolarHBondContact OH-CG 3.33Å; Y148-E150 PolarHBondContact OH-OE1 3.12Å
149L98.9Very high98.1Very high29 Ų2955.7 Ų55.715%0.15227%0.274CS..EExtended strand (participates in β ladder)trans-131.3154.2179.9-64.3136000109.1L112 V113 V114 A115 V162 C165L112-L149 HydrophobicContact CB-CD1 4.21Å; L112-L149 HydrophobicContact CD1-CD1 3.98Å; L112-L149 HydrophobicContact CG-CD1 4.47Å; V113-L149 PolarHBondContact O-N 3.35Å; V114-L149 CarbonylContact C-O 3.58Å; V114-L149 WeakPolarHBondContact CA-O 3.28Å; A115-L149 PolarHBondContact N-O 2.98Å; L149-V162 HydrophobicContact CB-CG2 3.87Å; L149-V162 HydrophobicContact CD1-CG2 4.48Å; L149-C165 HydrophobicContact CD1-CB 3.82Å; L149-C165 HydrophobicContact CD2-CB 3.89Å; L149-C165 HydrophobicContact CG-CB 4.45Å
150E98.8Very high98Very high58 Ų5860.6 Ų60.627%0.27130%0.297SS..EExtended strand (participates in β ladder)trans-127.9143.5173.6-52.3-163.7114.100110.1A115 T118 R121 Y148A115-E150 HydrophobicContact CB-CB 4.31Å; A115-E150 HydrophobicContact CB-CG 3.93Å; A115-E150 CarbonylContact O-C 3.58Å; A115-E150 VanDerWaalsContact O-CA 3.29Å; A115-E150 WeakPolarHBondContact O-CA 3.2Å; T118-E150 HydrophobicContact CG2-CB 3.76Å; R121-E150 IonicContact CZ-OE1 3.45Å; R121-E150 IonicContact CZ-OE2 2.78Å; R121-E150 IonicContact NH1-OE1 2.77Å; R121-E150 PolarHBondContact NH1-OE1 3.42Å; R121-E150 IonicContact NH2-OE1 3.38Å; R121-E150 PolarHBondContact NH2-OE1 3.01Å; R121-E150 IonicContact NH2-OE2 2.72Å; R121-E150 PolarHBondContact NH2-OE2 2.82Å; Y148-E150 HydrophobicContact CD1-CG 4.38Å; Y148-E150 HydrophobicContact CE1-CG 3.43Å; Y148-E150 VanDerWaalsContact CE1-CG 3.43Å; Y148-E150 WeakPolarHBondContact OH-CG 3.33Å; Y148-E150 PolarHBondContact OH-OE1 3.12Å
151C98.8Very high98Very high2 Ų265.1 Ų65.11%0.01432%0.317CS..  trans-151157.1178.565.70000112.9L20 A115 T116 Q117 T118 R157 V162L20-C151 HydrophobicContact CD1-CB 4.49Å; A115-C151 PolarHBondContact O-N 2.8Å; T116-C151 CarbonylContact C-O 3.58Å; T116-C151 WeakPolarHBondContact CA-O 3.4Å; Q117-C151 PolarHBondContact N-O 2.82Å; T118-C151 PolarHBondContact N-O 3.05Å; C151-R157 CarbonylContact C-O 3.56Å; C151-R157 WeakPolarHBondContact CA-O 3.29Å; C151-R157 WeakPolarHBondContact CB-O 3.38Å; C151-V162 HydrophobicContact CB-CG2 4.08Å
152S98.4Very high98Very high0 Ų058.1 Ų58.10%028%0.284CS..BIsolated β-bridgetrans-126.3112165.91670000108.4T118 D119 L154 S155 N156 R157T118-S152 WeakPolarHBondContact OG1-CB 3.18Å; D119-S152 WeakPolarHBondContact CB-OG 3.41Å; D119-S152 VanDerWaalsContact OD1-CB 3.25Å; D119-S152 WeakPolarHBondContact OD1-CB 3.38Å; D119-S152 PolarHBondContact OD1-OG 2.98Å; S152-L154 PolarHBondContact O-N 3.13Å; S152-L154 PolarHBondContact OG-N 3.22Å; S152-S155 WeakPolarHBondContact CB-OG 3.33Å; S152-S155 PolarHBondContact OG-N 2.95Å; S152-S155 VanDerWaalsContact OG-N 3.09Å; S152-S155 PolarHBondContact OG-OG 3.09Å; S152-N156 CarbonylContact O-C 3.54Å; S152-N156 WeakPolarHBondContact O-CA 3.22Å; S152-N156 PolarHBondContact O-N 3.28Å; S152-R157 PolarHBondContact N-O 3.5Å; S152-R157 PolarHBondContact O-N 3.39Å
153A98Very high98Very high10 Ų1054 Ų548%0.08326%0.262CS..THydrogen-bonded Turntrans-65-29.6172.200000111.6S19 R23 F29S19-A153 WeakPolarHBondContact O-CB 3.34Å; R23-A153 HydrophobicContact CB-CB 4.07Å; R23-A153 PolarHBondContact NE-O 3.33Å; R23-A153 PolarHBondContact NH2-O 3.39Å; F29-A153 HydrophobicContact CD2-CB 4.11Å; F29-A153 HydrophobicContact CE2-CB 4.06Å
154L96.5Very high97.9Very high90 Ų9057.1 Ų57.147%0.47128%0.276SS..THydrogen-bonded Turntrans-63.9-53.2178.1-179.862000111.2R23 F29 D119 S152 N156R23-L154 PolarHBondContact NH2-O 3.07Å; F29-L154 HydrophobicContact CD1-CD1 4.07Å; F29-L154 HydrophobicContact CD2-CB 4.4Å; F29-L154 HydrophobicContact CD2-CD1 4.49Å; F29-L154 HydrophobicContact CE1-CD1 4.06Å; F29-L154 HydrophobicContact CE2-CB 4.09Å; F29-L154 HydrophobicContact CE2-CD1 4.47Å; F29-L154 HydrophobicContact CG-CD1 4.28Å; F29-L154 HydrophobicContact CZ-CB 4.41Å; F29-L154 HydrophobicContact CZ-CD1 4.26Å; D119-L154 HydrophobicContact CB-CD2 4.34Å; S152-L154 PolarHBondContact O-N 3.13Å; S152-L154 PolarHBondContact OG-N 3.22Å; L154-N156 VanDerWaalsContact C-N 3.34Å
155S96.1Very high97.9Very high65 Ų6548.3 Ų48.346%0.45525%0.247SC..THydrogen-bonded Turntrans-893.9-178.862.30000114.5S152 R157S152-S155 WeakPolarHBondContact CB-OG 3.33Å; S152-S155 PolarHBondContact OG-N 2.95Å; S152-S155 VanDerWaalsContact OG-N 3.09Å; S152-S155 PolarHBondContact OG-OG 3.09Å; S155-R157 PolarHBondContact O-N 2.51Å
156N97.1Very high97.9Very high82 Ų8247.4 Ų47.444%0.43924%0.24SC..THydrogen-bonded Turntrans53.329.3-173.4-161.425.3000114.3R23 S152 L154R23-N156 HydrophobicContact CG-CB 4.43Å; R23-N156 WeakPolarHBondContact CG-OD1 3.27Å; S152-N156 CarbonylContact O-C 3.54Å; S152-N156 WeakPolarHBondContact O-CA 3.22Å; S152-N156 PolarHBondContact O-N 3.28Å; L154-N156 VanDerWaalsContact C-N 3.34Å
157R98.1Very high97.9Very high140 Ų14041.9 Ų41.953%0.52822%0.216SC..BIsolated β-bridgetrans-89.8130.9177.7-174.7-178.5-71.2173.32.6110.1E122 C151 S152 S155 V159E122-R157 IonicContact OE1-CZ 2.62Å; E122-R157 IonicContact OE1-NH1 3.94Å; E122-R157 PolarHBondContact OE1-NH1 2.87Å; E122-R157 IonicContact OE2-CZ 3.67Å; E122-R157 IonicContact OE2-NH1 3.03Å; E122-R157 PolarHBondContact OE2-NH1 2.77Å; E122-R157 IonicContact OE2-NH2 2.7Å; E122-R157 PolarHBondContact OE2-NH2 2.7Å; C151-R157 CarbonylContact C-O 3.56Å; C151-R157 WeakPolarHBondContact CA-O 3.29Å; C151-R157 WeakPolarHBondContact CB-O 3.38Å; S152-R157 PolarHBondContact N-O 3.5Å; S152-R157 PolarHBondContact O-N 3.39Å; S155-R157 PolarHBondContact O-N 2.51Å; R157-V159 PolarHBondContact O-N 2.93Å
158G98.1Very high97.8Very high13 Ų1346.2 Ų46.213%0.13423%0.226CC..SBendtrans77-5.8171.700000115.2Q161 V162G158-Q161 PolarHBondContact O-N 3.3Å; G158-Q161 PolarHBondContact O-OE1 3.07Å; G158-V162 WeakPolarHBondContact O-CG2 3.14Å; G158-V162 PolarHBondContact O-N 3.43Å; G158-V162 VanDerWaalsContact O-N 3.1Å
159V98.3Very high97.7Very high2 Ų245.5 Ų45.51%0.01223%0.225CC..Hα-helixtrans-62.2-54.6-173.9172.50000111L20 R23 F24 R157 Q161 V162 F163L20-V159 HydrophobicContact CD1-CB 4.26Å; L20-V159 HydrophobicContact CD1-CG1 3.94Å; L20-V159 HydrophobicContact CD1-CG2 3.98Å; R23-V159 HydrophobicContact CB-CG1 4.44Å; R23-V159 HydrophobicContact CG-CB 4.44Å; R23-V159 HydrophobicContact CG-CG1 4.12Å; R23-V159 HydrophobicContact CG-CG2 3.92Å; F24-V159 HydrophobicContact CB-CG1 3.73Å; F24-V159 HydrophobicContact CD2-CG1 4.39Å; R157-V159 PolarHBondContact O-N 2.93Å; V159-Q161 VanDerWaalsContact C-N 3.3Å; V159-Q161 PolarHBondContact O-N 2.89Å; V159-V162 WeakPolarHBondContact O-CB 3.35Å; V159-V162 PolarHBondContact O-N 3.43Å; V159-F163 HydrophobicContact CG1-CE2 4.29Å; V159-F163 VanDerWaalsContact O-CD2 3.27Å; V159-F163 WeakPolarHBondContact O-CD2 3.46Å
160Q96.6Very high97.6Very high115 Ų11544.3 Ų44.354%0.53722%0.219SC..Hα-helixtrans-59.7-41.7178.9-175.2178.2-1400111.7V162 F163 E164Q160-V162 VanDerWaalsContact C-N 3.28Å; Q160-V162 PolarHBondContact O-N 2.99Å; Q160-F163 PolarHBondContact O-N 3.19Å; Q160-E164 HydrophobicContact CG-CG 4.21Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.42Å; Q160-E164 PolarHBondContact NE2-OE1 3.35Å; Q160-E164 WeakPolarHBondContact O-CG 3.25Å; Q160-E164 PolarHBondContact O-N 2.57Å
161Q98Very high97.4Very high100 Ų10041.7 Ų41.747%0.46721%0.207SC..Hα-helixtrans-62.6-33.7-179.1-65.479.94.200112.4G158 V159 C165G158-Q161 PolarHBondContact O-N 3.3Å; G158-Q161 PolarHBondContact O-OE1 3.07Å; V159-Q161 VanDerWaalsContact C-N 3.3Å; V159-Q161 PolarHBondContact O-N 2.89Å; Q161-C165 WeakPolarHBondContact O-CB 3.42Å; Q161-C165 PolarHBondContact O-N 3.09Å
162V98.7Very high97.2Very high0 Ų044.7 Ų44.70%022%0.223CC..Hα-helixtrans-60.7-50.3174.8167.90000110.8L20 L80 V114 L149 C151 G158 V159 Q160 C165 A166L20-V162 HydrophobicContact CD2-CG1 4.3Å; L80-V162 HydrophobicContact CD1-CG1 3.65Å; L80-V162 HydrophobicContact CD2-CG1 4.12Å; V114-V162 HydrophobicContact CG1-CG1 4.29Å; V114-V162 HydrophobicContact CG1-CG2 3.89Å; V114-V162 HydrophobicContact CG2-CG1 4.04Å; L149-V162 HydrophobicContact CB-CG2 3.87Å; L149-V162 HydrophobicContact CD1-CG2 4.48Å; C151-V162 HydrophobicContact CB-CG2 4.08Å; G158-V162 WeakPolarHBondContact O-CG2 3.14Å; G158-V162 PolarHBondContact O-N 3.43Å; G158-V162 VanDerWaalsContact O-N 3.1Å; V159-V162 WeakPolarHBondContact O-CB 3.35Å; V159-V162 PolarHBondContact O-N 3.43Å; Q160-V162 VanDerWaalsContact C-N 3.28Å; Q160-V162 PolarHBondContact O-N 2.99Å; V162-C165 PolarHBondContact O-N 3.05Å; V162-A166 PolarHBondContact O-N 3.16Å
163F97.8Very high97Very high3 Ų346.2 Ų46.21%0.01323%0.23CC..Hα-helixtrans-74.3-36.4-176.8-66.6-78.9000112.5L20 F24 L54 L56 L80 V159 Q160 C165 A166 V167L20-F163 HydrophobicContact CD1-CE2 3.88Å; L20-F163 HydrophobicContact CD1-CZ 4.46Å; L20-F163 HydrophobicContact CD2-CZ 4.44Å; L20-F163 HydrophobicContact CG-CE2 3.9Å; L20-F163 HydrophobicContact CG-CZ 3.98Å; F24-F163 HydrophobicContact CB-CD2 3.72Å; F24-F163 HydrophobicContact CB-CE2 3.35Å; F24-F163 HydrophobicContact CB-CZ 4.01Å; F24-F163 HydrophobicContact CD1-CB 4.47Å; F24-F163 AromaticContact CD1-CD1 3.97Å; F24-F163 HydrophobicContact CD1-CD1 3.97Å; F24-F163 AromaticContact CD1-CD2 3.65Å; F24-F163 HydrophobicContact CD1-CD2 3.65Å; F24-F163 HydrophobicContact CD1-CE1 4.08Å; F24-F163 AromaticContact CD1-CE2 3.79Å; F24-F163 HydrophobicContact CD1-CE2 3.79Å; F24-F163 AromaticContact CD1-CG 3.76Å; F24-F163 HydrophobicContact CD1-CG 3.76Å; F24-F163 AromaticContact CD1-CZ 3.99Å; F24-F163 HydrophobicContact CD1-CZ 3.99Å; F24-F163 HydrophobicContact CD2-CB 4.17Å; F24-F163 AromaticContact CD2-CD2 3.39Å; F24-F163 HydrophobicContact CD2-CD2 3.39Å; F24-F163 AromaticContact CD2-CE2 4Å; F24-F163 HydrophobicContact CD2-CE2 4Å; F24-F163 AromaticContact CD2-CG 3.92Å; F24-F163 HydrophobicContact CD2-CG 3.92Å; F24-F163 HydrophobicContact CE1-CB 4.03Å; F24-F163 AromaticContact CE1-CD1 3.96Å; F24-F163 HydrophobicContact CE1-CD1 3.96Å; F24-F163 HydrophobicContact CE1-CD2 4.08Å; F24-F163 HydrophobicContact CE1-CE1 4.46Å; F24-F163 AromaticContact CE1-CG 3.74Å; F24-F163 HydrophobicContact CE1-CG 3.74Å; F24-F163 HydrophobicContact CE2-CB 3.7Å; F24-F163 AromaticContact CE2-CD2 3.85Å; F24-F163 HydrophobicContact CE2-CD2 3.85Å; F24-F163 AromaticContact CE2-CG 3.91Å; F24-F163 HydrophobicContact CE2-CG 3.91Å; F24-F163 HydrophobicContact CG-CD1 4.45Å; F24-F163 AromaticContact CG-CD2 3.28Å; F24-F163 HydrophobicContact CG-CD2 3.28Å; F24-F163 AromaticContact CG-CE2 3.43Å; F24-F163 HydrophobicContact CG-CE2 3.43Å; F24-F163 VanDerWaalsContact CG-CE2 3.43Å; F24-F163 AromaticContact CG-CG 3.84Å; F24-F163 HydrophobicContact CG-CG 3.84Å; F24-F163 HydrophobicContact CG-CZ 4.08Å; F24-F163 HydrophobicContact CZ-CB 3.63Å; F24-F163 HydrophobicContact CZ-CD1 4.44Å; F24-F163 HydrophobicContact CZ-CD2 4.18Å; F24-F163 AromaticContact CZ-CG 3.83Å; F24-F163 HydrophobicContact CZ-CG 3.83Å; L54-F163 HydrophobicContact CD2-CB 4.47Å; L54-F163 HydrophobicContact CD2-CD1 4.34Å; L56-F163 HydrophobicContact CD1-CE1 4.49Å; L56-F163 HydrophobicContact CD2-CD1 3.89Å; L56-F163 HydrophobicContact CD2-CE1 3.66Å; L80-F163 HydrophobicContact CD1-CD1 4.38Å; L80-F163 HydrophobicContact CD1-CE1 4.01Å; L80-F163 HydrophobicContact CD1-CZ 4.5Å; V159-F163 HydrophobicContact CG1-CE2 4.29Å; V159-F163 VanDerWaalsContact O-CD2 3.27Å; V159-F163 WeakPolarHBondContact O-CD2 3.46Å; Q160-F163 PolarHBondContact O-N 3.19Å; F163-C165 VanDerWaalsContact C-N 3.32Å; F163-C165 PolarHBondContact O-N 3.26Å; F163-A166 WeakPolarHBondContact O-CB 3.33Å; F163-A166 PolarHBondContact O-N 3.02Å; F163-V167 VanDerWaalsContact O-CG2 3.29Å; F163-V167 WeakPolarHBondContact O-CG2 3.41Å; F163-V167 PolarHBondContact O-N 2.75Å
164E96.5Very high96.7Very high77 Ų7746.7 Ų46.736%0.3623%0.234SC..Hα-helixtrans-59.2-43.7170.6-74.5179.8-175.400111.9Q160 A166 R168Q160-E164 HydrophobicContact CG-CG 4.21Å; Q160-E164 WeakPolarHBondContact CG-OE1 3.42Å; Q160-E164 PolarHBondContact NE2-OE1 3.35Å; Q160-E164 WeakPolarHBondContact O-CG 3.25Å; Q160-E164 PolarHBondContact O-N 2.57Å; E164-A166 VanDerWaalsContact C-N 3.33Å; E164-R168 VanDerWaalsContact O-CB 3.26Å; E164-R168 WeakPolarHBondContact O-CB 3.34Å; E164-R168 PolarHBondContact O-N 3.1Å
165C98.3Very high96.3Very high31 Ų3147.3 Ų47.321%0.20923%0.23CC..Hα-helixtrans-64.8-39176.4-168.70000111.5L112 L149 Q161 V162 F163 T169L112-C165 HydrophobicContact CD1-CB 4.26Å; L149-C165 HydrophobicContact CD1-CB 3.82Å; L149-C165 HydrophobicContact CD2-CB 3.89Å; L149-C165 HydrophobicContact CG-CB 4.45Å; Q161-C165 WeakPolarHBondContact O-CB 3.42Å; Q161-C165 PolarHBondContact O-N 3.09Å; V162-C165 PolarHBondContact O-N 3.05Å; F163-C165 VanDerWaalsContact C-N 3.32Å; F163-C165 PolarHBondContact O-N 3.26Å; C165-T169 WeakPolarHBondContact O-CB 3.47Å; C165-T169 PolarHBondContact O-N 2.99Å; C165-T169 PolarHBondContact O-OG1 3.25Å
166A98.3Very high95.9Very high0 Ų051 Ų510%023%0.234CC..Hα-helixtrans-60.7-51.9176.300000111.7V78 L80 L112 V162 F163 E164 T169 A170V78-A166 HydrophobicContact CG1-CB 4.04Å; V78-A166 HydrophobicContact CG2-CB 4.36Å; L80-A166 HydrophobicContact CD2-CB 4.04Å; L112-A166 HydrophobicContact CD1-CB 4.1Å; V162-A166 PolarHBondContact O-N 3.16Å; F163-A166 WeakPolarHBondContact O-CB 3.33Å; F163-A166 PolarHBondContact O-N 3.02Å; E164-A166 VanDerWaalsContact C-N 3.33Å; A166-T169 PolarHBondContact O-N 3.22Å; A166-A170 PolarHBondContact O-N 3.05Å
167V97.4Very high95.4Very high4 Ų451.7 Ų51.72%0.02423%0.231CC..Hα-helixtrans-58.8-51.2178171.10000110.4I5 V45 M47 I52 L54 F163 T169 A170 V171I5-V167 HydrophobicContact CD1-CB 4.3Å; I5-V167 HydrophobicContact CD1-CG1 3.83Å; I5-V167 HydrophobicContact CD1-CG2 4.48Å; V45-V167 HydrophobicContact CG2-CG1 4.47Å; V45-V167 HydrophobicContact CG2-CG2 4.02Å; M47-V167 HydrophobicContact CB-CG1 4.31Å; M47-V167 HydrophobicContact CE-CG1 3.76Å; M47-V167 HydrophobicContact SD-CB 4.48Å; M47-V167 HydrophobicContact SD-CG1 3.71Å; I52-V167 HydrophobicContact CD1-CG1 3.71Å; L54-V167 HydrophobicContact CD1-CG2 4.13Å; L54-V167 HydrophobicContact CD2-CG2 3.93Å; F163-V167 VanDerWaalsContact O-CG2 3.29Å; F163-V167 WeakPolarHBondContact O-CG2 3.41Å; F163-V167 PolarHBondContact O-N 2.75Å; V167-T169 VanDerWaalsContact C-N 3.27Å; V167-T169 PolarHBondContact O-N 2.79Å; V167-A170 PolarHBondContact O-N 3.22Å; V167-V171 WeakPolarHBondContact O-CG2 3.33Å; V167-V171 PolarHBondContact O-N 2.96Å
168R96.6Very high94.6Very high112 Ų11249.5 Ų49.542%0.42323%0.229SC..Hα-helixtrans-58.9-40.3178.3-172.6175.7-67.3112.7-1.1111.9M47 E164 N172M47-R168 HydrophobicContact SD-CB 3.88Å; M47-R168 HydrophobicContact SD-CG 4.41Å; E164-R168 VanDerWaalsContact O-CB 3.26Å; E164-R168 WeakPolarHBondContact O-CB 3.34Å; E164-R168 PolarHBondContact O-N 3.1Å; R168-N172 VanDerWaalsContact O-CB 3.3Å; R168-N172 WeakPolarHBondContact O-CB 3.44Å; R168-N172 VanDerWaalsContact O-CG 3.22Å; R168-N172 PolarHBondContact O-N 3.17Å; R168-N172 PolarHBondContact O-ND2 3.08Å; R168-N172 VanDerWaalsContact O-ND2 3.17Å
169T97.6Very high93.7Very high23 Ų2357.1 Ų57.114%0.14125%0.254CS..Hα-helixtrans-65.6-45.8178.5-64.20000111.7V78 P110 K146 C165 A166 V167 N172 Q173V78-T169 HydrophobicContact CG2-CG2 4.46Å; P110-T169 HydrophobicContact CB-CG2 3.5Å; P110-T169 HydrophobicContact CG-CG2 3.85Å; K146-T169 HydrophobicContact CB-CG2 4.02Å; K146-T169 HydrophobicContact CG-CG2 4.19Å; C165-T169 WeakPolarHBondContact O-CB 3.47Å; C165-T169 PolarHBondContact O-N 2.99Å; C165-T169 PolarHBondContact O-OG1 3.25Å; A166-T169 PolarHBondContact O-N 3.22Å; V167-T169 VanDerWaalsContact C-N 3.27Å; V167-T169 PolarHBondContact O-N 2.79Å; T169-N172 PolarHBondContact O-N 3.14Å; T169-Q173 WeakPolarHBondContact O-CB 3.49Å; T169-Q173 PolarHBondContact O-N 3Å
170A96.6Very high92.7Very high3 Ų366.2 Ų66.23%0.02529%0.288CS..Hα-helixtrans-62.2-47.8176.400000112I5 D77 V78 A166 V167 N172 Q173 A174I5-A170 HydrophobicContact CD1-CB 3.97Å; I5-A170 HydrophobicContact CG1-CB 4.37Å; I5-A170 HydrophobicContact CG2-CB 3.79Å; D77-A170 HydrophobicContact CB-CB 3.96Å; V78-A170 HydrophobicContact CB-CB 4.21Å; V78-A170 HydrophobicContact CG1-CB 4.22Å; A166-A170 PolarHBondContact O-N 3.05Å; V167-A170 PolarHBondContact O-N 3.22Å; A170-N172 PolarHBondContact O-N 3.36Å; A170-Q173 WeakPolarHBondContact O-CB 3.2Å; A170-Q173 PolarHBondContact O-N 3.12Å; A170-A174 PolarHBondContact O-N 3.15Å
171V94.4Very high91.7Very high3 Ų369.2 Ų69.22%0.01830%0.295CS..Hα-helixtrans-59.7-45177.2171.50000111.5I5 M47 I52 V167 Q173 A174 R175I5-V171 HydrophobicContact CD1-CG2 3.81Å; M47-V171 HydrophobicContact CE-CB 3.85Å; M47-V171 HydrophobicContact CE-CG1 4.12Å; M47-V171 HydrophobicContact CE-CG2 3.51Å; I52-V171 HydrophobicContact CD1-CG2 4.15Å; V167-V171 WeakPolarHBondContact O-CG2 3.33Å; V167-V171 PolarHBondContact O-N 2.96Å; V171-Q173 VanDerWaalsContact C-N 3.32Å; V171-Q173 PolarHBondContact O-N 2.88Å; V171-A174 PolarHBondContact O-N 3.28Å; V171-R175 HydrophobicContact CG1-CG 4.46Å; V171-R175 WeakPolarHBondContact O-CG 3.25Å; V171-R175 PolarHBondContact O-N 2.91Å
172N93.8Very high90.3Very high65 Ų6570.4 Ų70.435%0.34830%0.303SS..Hα-helixtrans-64.2-37.9177.7-76.5-27.6000112.3R168 T169 A170 R176R168-N172 VanDerWaalsContact O-CB 3.3Å; R168-N172 WeakPolarHBondContact O-CB 3.44Å; R168-N172 VanDerWaalsContact O-CG 3.22Å; R168-N172 PolarHBondContact O-N 3.17Å; R168-N172 PolarHBondContact O-ND2 3.08Å; R168-N172 VanDerWaalsContact O-ND2 3.17Å; T169-N172 PolarHBondContact O-N 3.14Å; A170-N172 PolarHBondContact O-N 3.36Å; N172-R176 VanDerWaalsContact O-CG 3.31Å; N172-R176 WeakPolarHBondContact O-CG 3.13Å; N172-R176 PolarHBondContact O-N 3.17Å
173Q94.1Very high88.8Confident32 Ų3278.4 Ų78.415%0.1534%0.339CS..Hα-helixtrans-64.3-44.5175.4-176.369.8-4.400111.5C108 P110 T169 A170 V171 R176 R177C108-Q173 PolarHBondContact O-NE2 2.85Å; C108-Q173 VanDerWaalsContact O-NE2 3.09Å; P110-Q173 HydrophobicContact CG-CB 4.17Å; P110-Q173 HydrophobicContact CG-CG 4.21Å; T169-Q173 WeakPolarHBondContact O-CB 3.49Å; T169-Q173 PolarHBondContact O-N 3Å; A170-Q173 WeakPolarHBondContact O-CB 3.2Å; A170-Q173 PolarHBondContact O-N 3.12Å; V171-Q173 VanDerWaalsContact C-N 3.32Å; V171-Q173 PolarHBondContact O-N 2.88Å; Q173-R176 PolarHBondContact O-N 3.02Å; Q173-R177 WeakPolarHBondContact O-CG 3.26Å; Q173-R177 PolarHBondContact O-N 3.19Å
174A91.1Very high87.2Confident20 Ų2082.6 Ų82.617%0.16537%0.368CS..Hα-helixtrans-64-43.7177.400000112.2L2 A170 V171 R176 R177 N178L2-A174 HydrophobicContact CD1-CB 3.44Å; L2-A174 VanDerWaalsContact CD1-CB 3.44Å; L2-A174 HydrophobicContact CD2-CB 4.49Å; L2-A174 HydrophobicContact CG-CB 3.83Å; A170-A174 PolarHBondContact O-N 3.15Å; V171-A174 PolarHBondContact O-N 3.28Å; A174-R176 VanDerWaalsContact C-N 3.31Å; A174-R176 PolarHBondContact O-N 3.21Å; A174-R177 PolarHBondContact O-N 3.37Å; A174-N178 PolarHBondContact O-N 2.75Å
175R89.2Confident85.5Confident103 Ų10384.9 Ų84.939%0.38938%0.382SS..Hα-helixtrans-57-43.5173.8-73.2176.8-179.7-179.52.5111.7V171 N178 R179V171-R175 HydrophobicContact CG1-CG 4.46Å; V171-R175 WeakPolarHBondContact O-CG 3.25Å; V171-R175 PolarHBondContact O-N 2.91Å; R175-N178 PolarHBondContact O-N 3.13Å; R175-R179 WeakPolarHBondContact O-CG 3.39Å; R175-R179 PolarHBondContact O-N 3.21Å
176R87.9Confident83.6Confident143 Ų14389.8 Ų89.854%0.5441%0.406SS..Hα-helixtrans-64.9-42.7176.7-75173.2176.5159.1-0.6112.5N172 Q173 A174 R179 R180N172-R176 VanDerWaalsContact O-CG 3.31Å; N172-R176 WeakPolarHBondContact O-CG 3.13Å; N172-R176 PolarHBondContact O-N 3.17Å; Q173-R176 PolarHBondContact O-N 3.02Å; A174-R176 VanDerWaalsContact C-N 3.31Å; A174-R176 PolarHBondContact O-N 3.21Å; R176-R179 PolarHBondContact O-N 2.97Å; R176-R180 WeakPolarHBondContact O-CG 3.45Å; R176-R180 PolarHBondContact O-N 2.94Å; R176-R180 VanDerWaalsContact O-N 3.12Å
177R85.8Confident81.6Confident97 Ų9797.7 Ų97.737%0.36644%0.443SS..Hα-helixtrans-62.7-43.6176.8-74.3177.5176.8176-0.1111.7C108 Q173 A174 R180 R181C108-R177 PolarHBondContact O-NH2 3.19Å; Q173-R177 WeakPolarHBondContact O-CG 3.26Å; Q173-R177 PolarHBondContact O-N 3.19Å; A174-R177 PolarHBondContact O-N 3.37Å; R177-R180 PolarHBondContact O-N 2.83Å; R177-R181 PolarHBondContact O-N 2.55Å; R177-R181 VanDerWaalsContact O-N 3.13Å
178N82.1Confident79.9Confident93 Ų93103.2 Ų103.250%0.49748%0.48SS..Hα-helixtrans-63.5-45.7177.7-71.9-9.4000111.8A174 R175 R180 R181 L182A174-N178 PolarHBondContact O-N 2.75Å; R175-N178 PolarHBondContact O-N 3.13Å; N178-R180 VanDerWaalsContact C-N 3.35Å; N178-R180 PolarHBondContact O-N 3Å; N178-R181 PolarHBondContact O-N 2.88Å; N178-L182 WeakPolarHBondContact O-CD1 3.3Å; N178-L182 PolarHBondContact O-N 3.31Å
179R79.8Confident78.2Confident173 Ų173105 Ų10565%0.65349%0.491SS*.Hα-helixtrans-56.7-46.6175.5-75.6-178.4-177.1-179.30.8112R175 R176 R181 L182 F183R175-R179 WeakPolarHBondContact O-CG 3.39Å; R175-R179 PolarHBondContact O-N 3.21Å; R176-R179 PolarHBondContact O-N 2.97Å; R179-R181 VanDerWaalsContact C-N 3.32Å; R179-R181 PolarHBondContact O-N 2.73Å; R179-L182 WeakPolarHBondContact O-CB 3.4Å; R179-L182 PolarHBondContact O-N 2.78Å; R179-F183 HydrophobicContact CB-CE2 4.33Å; R179-F183 WeakPolarHBondContact O-CD2 3.44Å; R179-F183 PolarHBondContact O-N 3.07Å; R179-F183 VanDerWaalsContact O-N 3.12Å
180R76.9Confident76.4Confident194 Ų194111.5 Ų111.573%0.73252%0.523SS*.Hα-helixtrans-60-39.7178.1-73.5179.7179.3177.3-2.5112.9R176 R177 N178 F183 S184R176-R180 WeakPolarHBondContact O-CG 3.45Å; R176-R180 PolarHBondContact O-N 2.94Å; R176-R180 VanDerWaalsContact O-N 3.12Å; R177-R180 PolarHBondContact O-N 2.83Å; N178-R180 VanDerWaalsContact C-N 3.35Å; N178-R180 PolarHBondContact O-N 3Å; R180-F183 PolarHBondContact O-N 3.42Å; R180-S184 PolarHBondContact O-N 2.87Å; R180-S184 VanDerWaalsContact O-N 3.11Å
181R74Confident74.8Confident178 Ų178123.7 Ų123.767%0.67258%0.576SS**Hα-helixtrans-64.4-39.5175-75.1-178.4174.6178.6-2.9112.6R177 N178 R179 F183 S184 I185R177-R181 PolarHBondContact O-N 2.55Å; R177-R181 VanDerWaalsContact O-N 3.13Å; N178-R181 PolarHBondContact O-N 2.88Å; R179-R181 VanDerWaalsContact C-N 3.32Å; R179-R181 PolarHBondContact O-N 2.73Å; R181-F183 VanDerWaalsContact C-N 3.33Å; R181-F183 PolarHBondContact O-N 3.41Å; R181-S184 WeakPolarHBondContact CA-OG 3.4Å; R181-S184 PolarHBondContact O-N 2.66Å; R181-S184 PolarHBondContact O-OG 2.96Å; R181-I185 WeakPolarHBondContact O-CD1 3.31Å; R181-I185 WeakPolarHBondContact O-CG1 3.21Å
182L70.6Confident73.8Confident124 Ų124129.8 Ų129.865%0.64960%0.604SS**Hα-helixtrans-60.7-42.8174.8-88.4134000111.7N178 R179 S184 I185N178-L182 WeakPolarHBondContact O-CD1 3.3Å; N178-L182 PolarHBondContact O-N 3.31Å; R179-L182 WeakPolarHBondContact O-CB 3.4Å; R179-L182 PolarHBondContact O-N 2.78Å; L182-S184 PolarHBondContact O-N 2.98Å; L182-I185 PolarHBondContact O-N 3.4Å
183F65.3Low72.8Confident168 Ų168133.2 Ų133.274%0.73762%0.618SS**Hα-helixtrans-73.5-21.6178.7-68-67.4000114.1R179 R180 R181 I185R179-F183 HydrophobicContact CB-CE2 4.33Å; R179-F183 WeakPolarHBondContact O-CD2 3.44Å; R179-F183 PolarHBondContact O-N 3.07Å; R179-F183 VanDerWaalsContact O-N 3.12Å; R180-F183 PolarHBondContact O-N 3.42Å; R181-F183 VanDerWaalsContact C-N 3.33Å; R181-F183 PolarHBondContact O-N 3.41Å; F183-I185 VanDerWaalsContact C-N 3.31Å
184S64.2Low71.6Confident91 Ų91138.8 Ų138.864%0.63664%0.644SS**THydrogen-bonded Turntrans-80.3-8.4176.962.50000114.2R180 R181 L182R180-S184 PolarHBondContact O-N 2.87Å; R180-S184 VanDerWaalsContact O-N 3.11Å; R181-S184 WeakPolarHBondContact CA-OG 3.4Å; R181-S184 PolarHBondContact O-N 2.66Å; R181-S184 PolarHBondContact O-OG 2.96Å; L182-S184 PolarHBondContact O-N 2.98Å
185I62.5Low70.4Confident126 Ų126145.8 Ų145.865%0.64667%0.672SS**SBendtrans-87.3-16.9-175.2-69.7164.8000112.3R181 L182 F183R181-I185 WeakPolarHBondContact O-CD1 3.31Å; R181-I185 WeakPolarHBondContact O-CG1 3.21Å; L182-I185 PolarHBondContact O-N 3.4Å; F183-I185 VanDerWaalsContact C-N 3.31Å
186N56.7Low69.3Low133 Ų133148.4 Ų148.471%0.71169%0.69SS**  trans-125.282.7-178.9-71.5-18.2000111.4C188N186-C188 PolarHBondContact O-N 3.29Å; N186-C188 VanDerWaalsContact O-N 3.17Å
187E58Low68Low166 Ų166148.8 Ų148.878%0.77670%0.7SS**  trans-68.8104.2148.6-80-171.9169.800107K189E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.35Å
188C60.2Low66.8Low120 Ų120152.5 Ų152.581%0.81172%0.723SS**  trans-67.696.9169.8-156.60000107.3N186 I190N186-C188 PolarHBondContact O-N 3.29Å; N186-C188 VanDerWaalsContact O-N 3.17Å; C188-I190 PolarHBondContact O-N 3.46Å
189K61.8Low65.6Low150 Ų150157.1 Ų157.165%0.65274%0.741SS**  trans-79108.3171.4-67.2-173.6-179.7-177.70107.7E187E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.35Å
190I60.3Low64.4Low160 Ų160155.8 Ų155.882%0.82175%0.748SS**  trans-78.9117.8165-55.9178.4000105.6C188C188-I190 PolarHBondContact O-N 3.46Å
191F62.3Low63.3Low259 Ų259152.3 Ų152.3100%1.13675%0.75SS**  trans-80.80169.1-70.5-82000109.9

Retrieved 191 of 191 residues in 111 ms (Link to these results)

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