G4V8B8_SCHMA Loading...

Zinc metalloproteinase YIL108W

AlphaFold DB , UniProt , Accession G4V8B8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 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
1M89.7Confident90.7Very high143 Ų14364.6 Ų64.670%0.70431%0.311SS*.  0153.80-64179.6-170.500108.5I24 D25 Y76M1-I24 CarbonylContact O-C 3.59Å; M1-I24 WeakPolarHBondContact O-CA 3.32Å; M1-D25 PolarHBondContact N-O 2.87Å; M1-D25 PolarHBondContact O-N 3.25Å; M1-Y76 HydrophobicContact CG-CD1 4.37Å; M1-Y76 HydrophobicContact CG-CE1 4.31Å; M1-Y76 VanDerWaalsContact N-CE2 3.28Å
2F92.6Very high90.9Very high26 Ų2661.3 Ų61.311%0.11430%0.298CS..EExtended strand (participates in β ladder)trans-77.8130.5172.3-69.3-71.8000110.2I24 V33 F56 L71 C73 Y76 V78F2-I24 HydrophobicContact CD1-CD1 4.42Å; F2-I24 HydrophobicContact CD1-CG1 3.75Å; F2-I24 HydrophobicContact CE1-CD1 3.73Å; F2-I24 HydrophobicContact CE1-CG1 3.57Å; F2-I24 HydrophobicContact CZ-CD1 4.36Å; F2-V33 HydrophobicContact CE1-CG1 3.77Å; F2-V33 HydrophobicContact CZ-CG1 4.16Å; F2-F56 AromaticContact CD1-CE1 3.75Å; F2-F56 HydrophobicContact CD1-CE1 3.75Å; F2-F56 HydrophobicContact CD1-CZ 4.19Å; F2-F56 HydrophobicContact CE1-CE1 4.28Å; F2-L71 HydrophobicContact CB-CD2 4.24Å; F2-L71 HydrophobicContact CD1-CD2 3.46Å; F2-L71 VanDerWaalsContact CD1-CD2 3.46Å; F2-L71 HydrophobicContact CD1-CG 4.01Å; F2-L71 HydrophobicContact CD2-CD2 4.2Å; F2-L71 HydrophobicContact CD2-CG 4.25Å; F2-L71 HydrophobicContact CE1-CD1 4.45Å; F2-L71 HydrophobicContact CE1-CD2 3.74Å; F2-L71 HydrophobicContact CE1-CG 3.8Å; F2-L71 HydrophobicContact CE2-CD2 4.42Å; F2-L71 HydrophobicContact CE2-CG 4.04Å; F2-L71 VanDerWaalsContact CE2-O 3.22Å; F2-L71 WeakPolarHBondContact CE2-O 3.35Å; F2-L71 HydrophobicContact CG-CD2 3.71Å; F2-L71 HydrophobicContact CG-CG 4.23Å; F2-L71 HydrophobicContact CZ-CD2 4.22Å; F2-L71 HydrophobicContact CZ-CG 3.82Å; F2-C73 HydrophobicContact CZ-CB 4.13Å; F2-Y76 WeakPolarHBondContact CE2-O 3.42Å; F2-V78 HydrophobicContact CB-CB 4.46Å; F2-V78 HydrophobicContact CB-CG1 3.75Å; F2-V78 HydrophobicContact CD2-CB 4.09Å; F2-V78 HydrophobicContact CD2-CG1 3.52Å; F2-V78 HydrophobicContact CE2-CG1 4.41Å; F2-V78 HydrophobicContact CG-CG1 3.89Å
3N90Very high91.1Very high81 Ų8156.6 Ų56.643%0.43328%0.275SS..EExtended strand (participates in β ladder)trans-112.1109169.4177.717.2000107.9F5 G22 N23N3-F5 HydrophobicContact CB-CE1 4.18Å; N3-F5 WeakPolarHBondContact ND2-CE1 3.46Å; N3-F5 WeakPolarHBondContact O-CD1 3.42Å; N3-F5 VanDerWaalsContact O-CE1 3.28Å; N3-F5 WeakPolarHBondContact O-CE1 3.36Å; N3-G22 CarbonylContact O-C 3.07Å; N3-G22 WeakPolarHBondContact O-CA 3.42Å; N3-N23 WeakPolarHBondContact CB-OD1 3.36Å; N3-N23 PolarHBondContact N-O 2.94Å; N3-N23 PolarHBondContact O-N 2.95Å
4I90Very high91.2Very high38 Ų3852.8 Ų52.820%0.19526%0.256CS..EExtended strand (participates in β ladder)trans-93.5128.5-174.4-62172.1000108.9A7 L20 V78 F80I4-A7 HydrophobicContact CG2-CB 3.82Å; I4-A7 WeakPolarHBondContact CG2-O 3.06Å; I4-L20 HydrophobicContact CG2-CD1 3.54Å; I4-V78 HydrophobicContact CD1-CG1 4.3Å; I4-F80 HydrophobicContact CD1-CD1 3.8Å; I4-F80 HydrophobicContact CD1-CE1 3.6Å; I4-F80 HydrophobicContact CD1-CG 4.47Å; I4-F80 HydrophobicContact CD1-CZ 4.1Å
5F88.2Confident91.3Very high103 Ų10349.3 Ų49.345%0.45224%0.239SC..SBendtrans-96.4-30.2-169.6-62.2-6000113.7N3 K21 N23 F389N3-F5 HydrophobicContact CB-CE1 4.18Å; N3-F5 WeakPolarHBondContact ND2-CE1 3.46Å; N3-F5 WeakPolarHBondContact O-CD1 3.42Å; N3-F5 VanDerWaalsContact O-CE1 3.28Å; N3-F5 WeakPolarHBondContact O-CE1 3.36Å; F5-K21 PolarHBondContact N-O 2.91Å; F5-N23 VanDerWaalsContact CE1-OD1 3.23Å; F5-N23 WeakPolarHBondContact CE1-OD1 3.31Å; F5-N23 HydrophobicContact CZ-CB 3.99Å; F5-N23 VanDerWaalsContact CZ-OD1 3.24Å; F5-N23 WeakPolarHBondContact CZ-OD1 3.36Å; F5-F389 HydrophobicContact CD2-CD1 4.27Å; F5-F389 AromaticContact CD2-CE1 3.55Å; F5-F389 HydrophobicContact CD2-CE1 3.55Å; F5-F389 HydrophobicContact CE2-CD1 4.01Å; F5-F389 AromaticContact CE2-CE1 3.43Å; F5-F389 HydrophobicContact CE2-CE1 3.43Å; F5-F389 VanDerWaalsContact CE2-CE1 3.43Å; F5-F389 HydrophobicContact CE2-CZ 4.48Å
6N90Very high91.3Very high15 Ų1546.4 Ų46.48%0.0823%0.225CC..SBendtrans-122.36.1-17171.2-28.3000113.7Q19 K21 E138 L141 R147N6-Q19 PolarHBondContact ND2-O 3.43Å; N6-K21 PolarHBondContact OD1-N 2.99Å; N6-K21 PolarHBondContact OD1-O 2.7Å; N6-E138 PolarHBondContact ND2-OE2 3.33Å; N6-L141 HydrophobicContact CB-CD2 3.85Å; N6-R147 PolarHBondContact O-NH1 2.71Å; N6-R147 PolarHBondContact O-NH2 2.89Å
7A91.2Very high91.4Very high12 Ų1243.6 Ų43.610%0.09921%0.212CC..  trans-137.7157.1176.200000111.8I4 L11 F18 L20 F80I4-A7 HydrophobicContact CG2-CB 3.82Å; I4-A7 WeakPolarHBondContact CG2-O 3.06Å; A7-L11 HydrophobicContact CB-CD2 4.02Å; A7-F18 HydrophobicContact CB-CE1 4.03Å; A7-F18 HydrophobicContact CB-CZ 3.91Å; A7-L20 HydrophobicContact CB-CD1 3.73Å; A7-F80 HydrophobicContact CB-CE2 4.01Å
8Y89.8Confident91.6Very high154 Ų15441.2 Ų41.260%0.60420%0.2SC*.  trans-142.4160.5172.354.2-94.6000107.8L10 L11Y8-L10 PolarHBondContact O-N 2.93Å; Y8-L11 HydrophobicContact CD2-CB 4.34Å; Y8-L11 HydrophobicContact CE1-CD1 3.81Å; Y8-L11 HydrophobicContact CE2-CB 4.21Å; Y8-L11 HydrophobicContact CE2-CD1 4.41Å; Y8-L11 VanDerWaalsContact O-CB 3.25Å; Y8-L11 WeakPolarHBondContact O-CB 3.11Å; Y8-L11 PolarHBondContact O-N 3.05Å; Y8-L11 VanDerWaalsContact O-N 3.09Å
9D92.2Very high91.7Very high74 Ų7439.1 Ų39.140%0.39619%0.19SC..THydrogen-bonded Turntrans-59135.3-179.7-175.344.3000111.3L11 F80 R81D9-L11 VanDerWaalsContact C-N 3.28Å; D9-L11 PolarHBondContact O-N 2.86Å; D9-F80 HydrophobicContact CB-CB 4.2Å; D9-R81 WeakPolarHBondContact OD1-CB 3.32Å; D9-R81 IonicContact OD1-CZ 3.8Å; D9-R81 PolarHBondContact OD1-N 2.97Å; D9-R81 IonicContact OD1-NE 3.03Å; D9-R81 PolarHBondContact OD1-NE 3.39Å; D9-R81 IonicContact OD1-NH2 3.69Å; D9-R81 IonicContact OD2-CZ 3.56Å; D9-R81 IonicContact OD2-NE 3.57Å; D9-R81 IonicContact OD2-NH2 2.71Å; D9-R81 PolarHBondContact OD2-NH2 3.37Å
10L91.4Very high91.8Very high59 Ų5937.1 Ų37.131%0.30918%0.18SC..THydrogen-bonded Turntrans65.521.2-174-58175.9000115.2Y8 T12 R81 L458Y8-L10 PolarHBondContact O-N 2.93Å; L10-T12 PolarHBondContact O-N 2.99Å; L10-R81 WeakPolarHBondContact CA-O 3.38Å; L10-R81 HydrophobicContact CD2-CB 3.92Å; L10-R81 PolarHBondContact N-O 3.48Å; L10-L458 HydrophobicContact CD2-CD1 3.67Å
11L92.1Very high91.8Very high6 Ų636.1 Ų36.13%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-54.7131.5168.217267.3000109.9A7 Y8 D9 V13 F18 I82 A83A7-L11 HydrophobicContact CB-CD2 4.02Å; Y8-L11 HydrophobicContact CD2-CB 4.34Å; Y8-L11 HydrophobicContact CE1-CD1 3.81Å; Y8-L11 HydrophobicContact CE2-CB 4.21Å; Y8-L11 HydrophobicContact CE2-CD1 4.41Å; Y8-L11 VanDerWaalsContact O-CB 3.25Å; Y8-L11 WeakPolarHBondContact O-CB 3.11Å; Y8-L11 PolarHBondContact O-N 3.05Å; Y8-L11 VanDerWaalsContact O-N 3.09Å; D9-L11 VanDerWaalsContact C-N 3.28Å; D9-L11 PolarHBondContact O-N 2.86Å; L11-V13 HydrophobicContact CD2-CG1 4.1Å; L11-V13 HydrophobicContact CG-CG1 4.13Å; L11-F18 HydrophobicContact CD2-CE2 3.8Å; L11-F18 HydrophobicContact CD2-CZ 3.8Å; L11-I82 CarbonylContact O-C 3.54Å; L11-I82 WeakPolarHBondContact O-CA 3.11Å; L11-A83 PolarHBondContact O-N 3.27Å
12T93.4Very high91.8Very high25 Ų2529.3 Ų29.315%0.15314%0.142CC..EExtended strand (participates in β ladder)trans-98.3138.6172.6-52.50000110.5L10 A83 V85 T449 L452L10-T12 PolarHBondContact O-N 2.99Å; T12-A83 CarbonylContact C-O 3.58Å; T12-A83 VanDerWaalsContact CA-O 3.31Å; T12-A83 WeakPolarHBondContact CA-O 3.43Å; T12-A83 HydrophobicContact CG2-CB 4.5Å; T12-V85 HydrophobicContact CG2-CB 4.38Å; T12-V85 HydrophobicContact CG2-CG2 3.68Å; T12-T449 HydrophobicContact CG2-CG2 3.9Å; T12-L452 HydrophobicContact CG2-CG 4.3Å; T12-L452 WeakPolarHBondContact OG1-CD1 3.5Å; T12-L452 WeakPolarHBondContact OG1-CG 3.26Å
13V94Very high91.7Very high0 Ų029.3 Ų29.30%014%0.143CC..EExtended strand (participates in β ladder)trans-137.1157.9174.9-62.50000110.9L11 Y15 F18 L62 I82 A83 Y84 V85L11-V13 HydrophobicContact CD2-CG1 4.1Å; L11-V13 HydrophobicContact CG-CG1 4.13Å; V13-Y15 HydrophobicContact CB-CD1 4.09Å; V13-Y15 HydrophobicContact CB-CE1 3.71Å; V13-Y15 HydrophobicContact CG1-CE1 3.93Å; V13-F18 HydrophobicContact CG1-CD2 3.97Å; V13-F18 HydrophobicContact CG1-CE2 3.93Å; V13-L62 HydrophobicContact CG2-CD1 3.6Å; V13-I82 HydrophobicContact CG1-CG2 4.48Å; V13-I82 HydrophobicContact CG2-CG2 3.79Å; V13-A83 PolarHBondContact N-O 2.8Å; V13-Y84 WeakPolarHBondContact O-CA 2.92Å; V13-V85 PolarHBondContact O-N 2.79Å
14N92.1Very high91.7Very high3 Ų325.5 Ų25.52%0.01612%0.122CC..SBendtrans-112.922.5178.768.8-9.5000114.2Y84 V85 I447 E448 T449N14-Y84 VanDerWaalsContact C-CE2 3.5Å; N14-V85 WeakPolarHBondContact CA-O 3.32Å; N14-I447 PolarHBondContact ND2-O 2.93Å; N14-I447 VanDerWaalsContact ND2-O 3.17Å; N14-E448 VanDerWaalsContact ND2-C 3.35Å; N14-E448 PolarHBondContact ND2-O 3.03Å; N14-T449 HydrophobicContact CB-CG2 4.29Å; N14-T449 PolarHBondContact ND2-N 3.03Å; N14-T449 PolarHBondContact OD1-OG1 2.79Å
15Y92.5Very high91.7Very high0 Ų028.5 Ų28.50%014%0.139CC..SBendtrans-137.1142.9178.952.4-84.6000110.5V13 L17 F18 T134 A137 E138 R147 T149V13-Y15 HydrophobicContact CB-CD1 4.09Å; V13-Y15 HydrophobicContact CB-CE1 3.71Å; V13-Y15 HydrophobicContact CG1-CE1 3.93Å; Y15-L17 WeakPolarHBondContact CD2-O 3.1Å; Y15-L17 WeakPolarHBondContact CE2-O 3.4Å; Y15-F18 AromaticContact CE2-CD2 3.82Å; Y15-F18 HydrophobicContact CE2-CD2 3.82Å; Y15-F18 AromaticContact CZ-CD2 3.95Å; Y15-F18 WeakPolarHBondContact OH-CE2 3.11Å; Y15-T134 HydrophobicContact CE2-CG2 4.14Å; Y15-A137 HydrophobicContact CD1-CB 3.87Å; Y15-A137 HydrophobicContact CE1-CB 3.34Å; Y15-A137 HydrophobicContact CE2-CB 4.32Å; Y15-E138 PolarHBondContact OH-OE1 2.93Å; Y15-E138 VanDerWaalsContact OH-OE1 3.07Å; Y15-R147 VanDerWaalsContact OH-CD 3.3Å; Y15-R147 WeakPolarHBondContact OH-CD 3.46Å; Y15-R147 PolarHBondContact OH-NE 2.94Å; Y15-T149 HydrophobicContact CD1-CG2 3.84Å; Y15-T149 HydrophobicContact CG-CG2 4.26Å
16P90.9Very high91.8Very high3 Ų327.5 Ų27.52%0.01914%0.143CC..SBendtrans-84.5-10.6-168.732.9-37.4000114.6P61 L62 Y84 R130P16-P61 CarbonylContact O-C 3.55Å; P16-L62 WeakPolarHBondContact O-CB 3.4Å; P16-L62 PolarHBondContact O-N 2.89Å; P16-Y84 HydrophobicContact CB-CD1 4.24Å; P16-Y84 HydrophobicContact CB-CE1 3.65Å; P16-R130 VanDerWaalsContact CG-NH1 3.29Å
17L93.7Very high91.8Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-115.7107.2178.5-176.263.9000109.4Y15 F59 L127 R130 L131 T134 L269Y15-L17 WeakPolarHBondContact CD2-O 3.1Å; Y15-L17 WeakPolarHBondContact CE2-O 3.4Å; L17-F59 HydrophobicContact CD1-CB 4.1Å; L17-F59 HydrophobicContact CD1-CD1 4.49Å; L17-F59 HydrophobicContact CD2-CD1 4.12Å; L17-F59 HydrophobicContact CG-CD1 4.02Å; L17-L127 HydrophobicContact CD2-CD1 4.3Å; L17-R130 HydrophobicContact CD2-CB 4.1Å; L17-L131 HydrophobicContact CD2-CD2 3.77Å; L17-L131 HydrophobicContact CD2-CG 4.35Å; L17-T134 WeakPolarHBondContact O-CB 3.17Å; L17-T134 VanDerWaalsContact O-CG2 3.24Å; L17-T134 WeakPolarHBondContact O-CG2 3.13Å; L17-T134 PolarHBondContact O-OG1 2.83Å; L17-L269 HydrophobicContact CD1-CD1 4.28Å; L17-L269 HydrophobicContact CD1-CD2 3.78Å
18F94.4Very high91.7Very high0 Ų029.8 Ų29.80%015%0.151CC..EExtended strand (participates in β ladder)trans-98.2131.9-174.9-173.1-99.8000112.1A7 L11 V13 Y15 L20 F59 V60 L62 I82A7-F18 HydrophobicContact CB-CE1 4.03Å; A7-F18 HydrophobicContact CB-CZ 3.91Å; L11-F18 HydrophobicContact CD2-CE2 3.8Å; L11-F18 HydrophobicContact CD2-CZ 3.8Å; V13-F18 HydrophobicContact CG1-CD2 3.97Å; V13-F18 HydrophobicContact CG1-CE2 3.93Å; Y15-F18 AromaticContact CE2-CD2 3.82Å; Y15-F18 HydrophobicContact CE2-CD2 3.82Å; Y15-F18 AromaticContact CZ-CD2 3.95Å; Y15-F18 WeakPolarHBondContact OH-CE2 3.11Å; F18-L20 HydrophobicContact CD1-CB 4.11Å; F18-L20 HydrophobicContact CE1-CB 3.93Å; F18-L20 HydrophobicContact CE1-CD1 3.97Å; F18-F59 CarbonylContact O-C 3.6Å; F18-F59 WeakPolarHBondContact O-CA 3.36Å; F18-V60 PolarHBondContact N-O 2.81Å; F18-V60 PolarHBondContact O-N 3.37Å; F18-L62 HydrophobicContact CB-CD1 3.78Å; F18-L62 HydrophobicContact CB-CG 4.13Å; F18-I82 HydrophobicContact CD1-CD1 3.39Å; F18-I82 HydrophobicContact CD2-CD1 4.23Å; F18-I82 HydrophobicContact CE1-CD1 3.52Å; F18-I82 HydrophobicContact CE2-CD1 4.34Å; F18-I82 HydrophobicContact CG-CD1 3.78Å; F18-I82 HydrophobicContact CZ-CD1 4.01Å
19Q94.9Very high91.8Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-93.3118170.3-171-179.840.700109.1N6 K21 V58 F59 T134 E138 C334 L335N6-Q19 PolarHBondContact ND2-O 3.43Å; Q19-K21 HydrophobicContact CG-CG 4.31Å; Q19-V58 CarbonylContact C-O 3.57Å; Q19-V58 WeakPolarHBondContact CA-O 3.38Å; Q19-F59 HydrophobicContact CB-CD1 4.03Å; Q19-F59 HydrophobicContact CB-CE1 3.78Å; Q19-F59 HydrophobicContact CB-CZ 4.23Å; Q19-F59 HydrophobicContact CG-CD1 4.37Å; Q19-F59 HydrophobicContact CG-CE1 4.01Å; Q19-F59 HydrophobicContact CG-CE2 4.27Å; Q19-F59 HydrophobicContact CG-CZ 3.95Å; Q19-T134 HydrophobicContact CB-CG2 3.59Å; Q19-E138 HydrophobicContact CB-CG 4.36Å; Q19-C334 PolarHBondContact NE2-O 3.45Å; Q19-L335 PolarHBondContact NE2-O 3.31Å
20L93.1Very high91.8Very high0 Ų025.5 Ų25.50%014%0.135CC..EExtended strand (participates in β ladder)trans-101.3132.8174.1-179.975000109.9I4 A7 F18 F56 K57 V58 V60 L71 F80I4-L20 HydrophobicContact CG2-CD1 3.54Å; A7-L20 HydrophobicContact CB-CD1 3.73Å; F18-L20 HydrophobicContact CD1-CB 4.11Å; F18-L20 HydrophobicContact CE1-CB 3.93Å; F18-L20 HydrophobicContact CE1-CD1 3.97Å; L20-F56 HydrophobicContact CD2-CE2 4.25Å; L20-F56 HydrophobicContact CG-CE2 4.14Å; L20-K57 WeakPolarHBondContact O-CA 3.47Å; L20-V58 HydrophobicContact CB-CG2 3.62Å; L20-V58 HydrophobicContact CD2-CG2 3.97Å; L20-V58 HydrophobicContact CG-CG2 4.23Å; L20-V58 PolarHBondContact N-O 3.43Å; L20-V58 PolarHBondContact O-N 3.1Å; L20-V60 HydrophobicContact CB-CG2 4.49Å; L20-L71 HydrophobicContact CD2-CD2 4.16Å; L20-F80 HydrophobicContact CD1-CE1 4.48Å; L20-F80 HydrophobicContact CD1-CE2 4.16Å; L20-F80 HydrophobicContact CD1-CZ 3.58Å; L20-F80 HydrophobicContact CD2-CE1 4.1Å; L20-F80 HydrophobicContact CD2-CZ 3.71Å; L20-F80 HydrophobicContact CG-CZ 4.28Å
21K91Very high91.8Very high16 Ų1628.6 Ų28.67%0.0715%0.148CC..EExtended strand (participates in β ladder)trans-129.7145.1-178.6-61-179.9-173.2162.20111.1F5 N6 Q19 K57 I387 F389F5-K21 PolarHBondContact N-O 2.91Å; N6-K21 PolarHBondContact OD1-N 2.99Å; N6-K21 PolarHBondContact OD1-O 2.7Å; Q19-K21 HydrophobicContact CG-CG 4.31Å; K21-K57 HydrophobicContact CG-CG 4.21Å; K21-I387 PolarHBondContact NZ-O 2.91Å; K21-F389 HydrophobicContact CB-CE1 4.41Å; K21-F389 HydrophobicContact CB-CZ 3.93Å; K21-F389 HydrophobicContact CG-CZ 4.44Å
22G90.1Very high91.9Very high0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans177.5-165.9174.400000112.2N3 M55 F56N3-G22 CarbonylContact O-C 3.07Å; N3-G22 WeakPolarHBondContact O-CA 3.42Å; G22-M55 WeakPolarHBondContact O-CA 3.49Å; G22-F56 VanDerWaalsContact N-CE2 3.33Å; G22-F56 PolarHBondContact N-O 2.88Å; G22-F56 WeakPolarHBondContact O-CD1 3.5Å; G22-F56 PolarHBondContact O-N 3.2Å
23N90.5Very high92.1Very high26 Ų2628.2 Ų28.214%0.13915%0.146CC..EExtended strand (participates in β ladder)trans-139.4166.6170.575-36.1000112.9N3 F5 S54 M55N3-N23 WeakPolarHBondContact CB-OD1 3.36Å; N3-N23 PolarHBondContact N-O 2.94Å; N3-N23 PolarHBondContact O-N 2.95Å; F5-N23 VanDerWaalsContact CE1-OD1 3.23Å; F5-N23 WeakPolarHBondContact CE1-OD1 3.31Å; F5-N23 HydrophobicContact CZ-CB 3.99Å; F5-N23 VanDerWaalsContact CZ-OD1 3.24Å; F5-N23 WeakPolarHBondContact CZ-OD1 3.36Å; N23-S54 CarbonylContact C-O 3.59Å; N23-S54 WeakPolarHBondContact CA-O 3.28Å; N23-S54 WeakPolarHBondContact CB-O 3.39Å; N23-M55 HydrophobicContact CB-CG 4.26Å
24I89.9Confident92.2Very high1 Ų130.5 Ų30.51%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-99.2115.9172.2-54.6177.9000109M1 F2 P26 Y27 V33 L51 S54 C73 Y76M1-I24 CarbonylContact O-C 3.59Å; M1-I24 WeakPolarHBondContact O-CA 3.32Å; F2-I24 HydrophobicContact CD1-CD1 4.42Å; F2-I24 HydrophobicContact CD1-CG1 3.75Å; F2-I24 HydrophobicContact CE1-CD1 3.73Å; F2-I24 HydrophobicContact CE1-CG1 3.57Å; F2-I24 HydrophobicContact CZ-CD1 4.36Å; I24-P26 CarbonylContact O-C 3.59Å; I24-Y27 WeakPolarHBondContact O-CA 3.5Å; I24-Y27 PolarHBondContact O-N 2.82Å; I24-V33 HydrophobicContact CD1-CG1 4.01Å; I24-L51 HydrophobicContact CD1-CD1 3.73Å; I24-L51 HydrophobicContact CD1-CD2 4.22Å; I24-S54 PolarHBondContact N-O 3Å; I24-S54 VanDerWaalsContact O-CB 3.24Å; I24-S54 WeakPolarHBondContact O-CB 3.49Å; I24-C73 HydrophobicContact CD1-CB 4.47Å; I24-Y76 HydrophobicContact CG2-CD2 3.42Å; I24-Y76 VanDerWaalsContact CG2-CD2 3.42Å; I24-Y76 HydrophobicContact CG2-CE2 3.43Å; I24-Y76 VanDerWaalsContact CG2-CE2 3.43Å
25D89.5Confident92.3Very high101 Ų10130.4 Ų30.454%0.5416%0.156SC..SBendtrans-132122179.8-167.45.8000111.1M1M1-D25 PolarHBondContact N-O 2.87Å; M1-D25 PolarHBondContact O-N 3.25Å
26P91.6Very high92.4Very high82 Ų8230.6 Ų30.653%0.53216%0.158SC..SBendcis-66.4145.5-6.129.3-33.9000111.5I24 C28 Y76I24-P26 CarbonylContact O-C 3.59Å; P26-C28 PolarHBondContact O-N 3.42Å; P26-Y76 PolarHBondContact O-OH 3.17Å
27Y88.8Confident92.4Very high55 Ų5530.5 Ų30.522%0.21616%0.157CC..  trans-63.3122.6179.5-179.9-139.7000110.7I24 C30 E53I24-Y27 WeakPolarHBondContact O-CA 3.5Å; I24-Y27 PolarHBondContact O-N 2.82Å; Y27-C30 PolarHBondContact OH-O 2.79Å; Y27-E53 WeakPolarHBondContact CE1-OE2 3.25Å; Y27-E53 WeakPolarHBondContact CE2-O 3.42Å; Y27-E53 VanDerWaalsContact CZ-O 3.31Å; Y27-E53 PolarHBondContact OH-O 2.84Å
28C90.6Very high92.3Very high21 Ų2133.6 Ų33.614%0.14217%0.171CC..  trans-98.112.7-174.459.60000114.3P26 C30 H75 Y76P26-C28 PolarHBondContact O-N 3.42Å; C28-C30 PolarHBondContact O-N 3.21Å; C28-C30 VanDerWaalsContact O-N 3.1Å; C28-C30 PolarHBondContact SG-SG 2.85Å; C28-H75 HydrophobicContact CB-CB 3.96Å; C28-Y76 HydrophobicContact CB-CD2 4.42Å; C28-Y76 HydrophobicContact CB-CE2 3.72Å
29Q91.2Very high91.6Very high129 Ų12934.4 Ų34.460%0.60318%0.176SC*.  trans65.54.8179.2-51.9-63.1-30.300115.8Q31Q29-Q31 PolarHBondContact O-NE2 2.97Å
30C92.2Very high90.5Very high8 Ų839.4 Ų39.45%0.05420%0.202CC..  trans-54.4141.1167.6-67.60000110.2Y27 C28 L51 C73 H75Y27-C30 PolarHBondContact OH-O 2.79Å; C28-C30 PolarHBondContact O-N 3.21Å; C28-C30 VanDerWaalsContact O-N 3.1Å; C28-C30 PolarHBondContact SG-SG 2.85Å; C30-L51 HydrophobicContact CB-CD1 3.97Å; C30-L51 WeakPolarHBondContact O-CD1 3.37Å; C30-C73 HydrophobicContact CB-CB 4.15Å; C30-H75 PolarHBondContact SG-ND1 3.4Å
31Q91.6Very high89.2Confident125 Ų12547 Ų4758%0.58423%0.231SC*.SBendtrans-94.5-15178.1-59.8-58.6-65.300112.8Q29 L51Q29-Q31 PolarHBondContact O-NE2 2.97Å; Q31-L51 WeakPolarHBondContact O-CB 3.39Å; Q31-L51 PolarHBondContact O-N 2.77Å
32S94.8Very high87.7Confident22 Ų2254.8 Ų54.815%0.15427%0.267CS..EExtended strand (participates in β ladder)trans-144.4164.6-179.256.30000112.3E48 W49S32-E48 WeakPolarHBondContact CB-OE1 3.41Å; S32-E48 PolarHBondContact OG-OE1 3Å; S32-W49 CarbonylContact C-O 3.33Å; S32-W49 WeakPolarHBondContact CA-O 3.25Å; S32-W49 VanDerWaalsContact CB-O 3.26Å; S32-W49 WeakPolarHBondContact CB-O 3.47Å
33V95.8Very high86.4Confident0 Ų055.8 Ų55.80%027%0.274CS..EExtended strand (participates in β ladder)trans-125.7147.3168.9-65.50000108.8F2 I24 E48 W49 L51 F56 V58 L71 R72 C73F2-V33 HydrophobicContact CE1-CG1 3.77Å; F2-V33 HydrophobicContact CZ-CG1 4.16Å; I24-V33 HydrophobicContact CD1-CG1 4.01Å; V33-E48 CarbonylContact O-C 3.59Å; V33-E48 WeakPolarHBondContact O-CA 3.22Å; V33-W49 HydrophobicContact CG2-CB 4.05Å; V33-W49 PolarHBondContact N-O 2.91Å; V33-W49 PolarHBondContact O-N 2.84Å; V33-L51 HydrophobicContact CG1-CD1 3.93Å; V33-L51 HydrophobicContact CG1-CD2 3.77Å; V33-L51 HydrophobicContact CG1-CG 3.93Å; V33-F56 HydrophobicContact CG2-CB 4.05Å; V33-F56 HydrophobicContact CG2-CG 4.49Å; V33-V58 HydrophobicContact CG2-CG1 3.87Å; V33-L71 HydrophobicContact CB-CD1 3.99Å; V33-L71 HydrophobicContact CG2-CD1 4.1Å; V33-R72 CarbonylContact C-O 3.44Å; V33-R72 WeakPolarHBondContact CA-O 3.29Å; V33-C73 HydrophobicContact CG1-CB 4.44Å
34F96.5Very high85.9Confident49 Ų4960.2 Ų60.222%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-106.9136.4171.3-59-99.9000108.1M47 E48 L71 R72F34-M47 WeakPolarHBondContact CA-O 3.43Å; F34-E48 HydrophobicContact CD1-CB 3.86Å; F34-E48 HydrophobicContact CD1-CG 4.18Å; F34-E48 HydrophobicContact CE1-CB 3.67Å; F34-E48 HydrophobicContact CE1-CG 3.75Å; F34-E48 HydrophobicContact CE2-CG 4.42Å; F34-E48 HydrophobicContact CZ-CB 4.32Å; F34-E48 HydrophobicContact CZ-CG 3.87Å; F34-L71 WeakPolarHBondContact O-CA 3.23Å; F34-R72 HydrophobicContact CB-CG 3.69Å; F34-R72 VanDerWaalsContact CB-CZ 3.5Å; F34-R72 PolarHBondContact N-O 3.24Å; F34-R72 PolarHBondContact O-N 2.69Å
35V95Very high85.8Confident0 Ų061 Ų610%030%0.301CS..EExtended strand (participates in β ladder)trans-123.2120.1173.758.10000108.9W45 E46 M47 V58 V60 Q70 L71V35-W45 HydrophobicContact CG1-CH2 4.22Å; V35-W45 HydrophobicContact CG1-CZ3 3.88Å; V35-W45 WeakPolarHBondContact O-CZ3 3.31Å; V35-E46 WeakPolarHBondContact O-CA 3.33Å; V35-M47 PolarHBondContact N-O 3.17Å; V35-M47 PolarHBondContact O-N 2.85Å; V35-V58 HydrophobicContact CB-CG2 4.49Å; V35-V58 HydrophobicContact CG1-CB 4.2Å; V35-V58 HydrophobicContact CG1-CG2 4.18Å; V35-V60 HydrophobicContact CG1-CG2 4.26Å; V35-V60 HydrophobicContact CG2-CG1 4.38Å; V35-V60 HydrophobicContact CG2-CG2 3.74Å; V35-Q70 CarbonylContact C-O 3.57Å; V35-Q70 WeakPolarHBondContact CA-O 3.3Å; V35-L71 HydrophobicContact CB-CD1 4.26Å
36S93.7Very high85.9Confident5 Ų560.7 Ų60.74%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-110150.6172.563.20000111.6H38 W45 L69 Q70S36-H38 PolarHBondContact OG-NE2 2.88Å; S36-W45 CarbonylContact C-O 3.58Å; S36-W45 WeakPolarHBondContact CA-O 3.33Å; S36-W45 WeakPolarHBondContact CB-O 3.42Å; S36-L69 WeakPolarHBondContact O-CA 3.24Å; S36-Q70 PolarHBondContact N-O 3.38Å; S36-Q70 PolarHBondContact O-N 2.99Å; S36-Q70 WeakPolarHBondContact OG-CB 3.11Å
37V91.8Very high86.1Confident0 Ų057.8 Ų57.80%028%0.276CS..EExtended strand (participates in β ladder)trans-123.4123.7176.9-1760000108.1W45 V60 N67 T68 L69V37-W45 HydrophobicContact CB-CE3 4.5Å; V37-W45 HydrophobicContact CG2-CE3 3.87Å; V37-W45 HydrophobicContact CG2-CZ3 4.29Å; V37-W45 PolarHBondContact N-O 2.89Å; V37-W45 PolarHBondContact O-N 2.85Å; V37-V60 HydrophobicContact CG2-CG1 3.1Å; V37-N67 HydrophobicContact CG1-CB 4.01Å; V37-T68 WeakPolarHBondContact CA-O 3.33Å; V37-L69 HydrophobicContact CG1-CD1 4.46Å; V37-L69 HydrophobicContact CG2-CD1 4.47Å; V37-L69 HydrophobicContact CG2-CG 4.32Å
38H90.6Very high86.4Confident65 Ų6559.9 Ų59.930%0.30129%0.288SS..EExtended strand (participates in β ladder)trans-116.8134.2173.1-55-72.6000108.2S36 D44 T68S36-H38 PolarHBondContact OG-NE2 2.88Å; H38-D44 IonicContact CE1-OD1 3.52Å; H38-D44 IonicContact CG-OD1 2.83Å; H38-D44 IonicContact ND1-OD1 3.76Å; H38-D44 PolarHBondContact ND1-OD1 2.92Å; H38-T68 PolarHBondContact N-O 2.74Å; H38-T68 PolarHBondContact O-N 2.86Å
39N80.6Confident86.6Confident18 Ų1859.1 Ų59.110%0.09628%0.282CS..EExtended strand (participates in β ladder)trans-135169.3176.959.847.3000111.4R41 E42 S43 S63N39-R41 PolarHBondContact O-N 3.17Å; N39-R41 WeakPolarHBondContact OD1-CA 3.43Å; N39-R41 WeakPolarHBondContact OD1-CB 3.37Å; N39-R41 PolarHBondContact OD1-N 3.28Å; N39-E42 PolarHBondContact O-N 2.81Å; N39-S43 VanDerWaalsContact CG-OG 3.23Å; N39-S43 PolarHBondContact ND2-OG 3.25Å; N39-S43 PolarHBondContact OD1-N 2.84Å; N39-S43 PolarHBondContact OD1-OG 3.09Å; N39-S63 WeakPolarHBondContact ND2-CB 3.45Å; N39-S63 PolarHBondContact ND2-OG 2.86Å
40D71.2Confident86.6Confident104 Ų10456.9 Ų56.956%0.55628%0.277SS*.THydrogen-bonded Turntrans-60.5-9.8-178.9-62.2-29.7000113.8
41R65.8Low86.5Confident160 Ų16057 Ų5760%0.60428%0.277SS*.THydrogen-bonded Turntrans-94.812.3176.5-57.1-175178-163.4-0.5113.1N39 S43N39-R41 PolarHBondContact O-N 3.17Å; N39-R41 WeakPolarHBondContact OD1-CA 3.43Å; N39-R41 WeakPolarHBondContact OD1-CB 3.37Å; N39-R41 PolarHBondContact OD1-N 3.28Å; R41-S43 PolarHBondContact O-N 2.88Å
42E60.9Low86Confident180 Ų18051.2 Ų51.284%0.84125%0.251SS*.  trans52.826.3-178.7-61.9-174.2166.900113.5N39N39-E42 PolarHBondContact O-N 2.81Å
43S62.2Low85.5Confident21 Ų2152.8 Ų52.815%0.14726%0.255CS..  trans-90.9117.3173.953.30000108.1N39 R41 I164N39-S43 VanDerWaalsContact CG-OG 3.23Å; N39-S43 PolarHBondContact ND2-OG 3.25Å; N39-S43 PolarHBondContact OD1-N 2.84Å; N39-S43 PolarHBondContact OD1-OG 3.09Å; R41-S43 PolarHBondContact O-N 2.88Å; S43-I164 VanDerWaalsContact C-CD1 3.45Å; S43-I164 WeakPolarHBondContact O-CD1 3.42Å; S43-I164 WeakPolarHBondContact OG-CD1 3.11Å; S43-I164 WeakPolarHBondContact OG-CG1 3.46Å
44D79.1Confident85.2Confident119 Ų11953.9 Ų53.964%0.63626%0.263SS*.EExtended strand (participates in β ladder)trans-100.5128.1177.8-69.1-22.8000108.7H38H38-D44 IonicContact CE1-OD1 3.52Å; H38-D44 IonicContact CG-OD1 2.83Å; H38-D44 IonicContact ND1-OD1 3.76Å; H38-D44 PolarHBondContact ND1-OD1 2.92Å
45W88.2Confident84.9Confident17 Ų1752.4 Ų52.46%0.06426%0.257CS..EExtended strand (participates in β ladder)trans-127.6138.4170.417694.6000107.7V35 S36 V37 M47 F59 V60 P61 I164 L269 E270V35-W45 HydrophobicContact CG1-CH2 4.22Å; V35-W45 HydrophobicContact CG1-CZ3 3.88Å; V35-W45 WeakPolarHBondContact O-CZ3 3.31Å; S36-W45 CarbonylContact C-O 3.58Å; S36-W45 WeakPolarHBondContact CA-O 3.33Å; S36-W45 WeakPolarHBondContact CB-O 3.42Å; V37-W45 HydrophobicContact CB-CE3 4.5Å; V37-W45 HydrophobicContact CG2-CE3 3.87Å; V37-W45 HydrophobicContact CG2-CZ3 4.29Å; V37-W45 PolarHBondContact N-O 2.89Å; V37-W45 PolarHBondContact O-N 2.85Å; W45-M47 HydrophobicContact CH2-CB 3.55Å; W45-M47 HydrophobicContact CH2-CG 3.73Å; W45-M47 HydrophobicContact CH2-SD 3.91Å; W45-M47 HydrophobicContact CZ2-CB 3.71Å; W45-M47 HydrophobicContact CZ2-CG 3.29Å; W45-M47 HydrophobicContact CZ2-SD 3.23Å; W45-M47 WeakPolarHBondContact CZ2-SD 3.49Å; W45-M47 HydrophobicContact CZ3-CB 4.15Å; W45-F59 WeakPolarHBondContact CH2-O 3.3Å; W45-V60 HydrophobicContact CZ3-CG1 4.37Å; W45-P61 HydrophobicContact CD2-CG 3.49Å; W45-P61 VanDerWaalsContact CD2-CG 3.49Å; W45-P61 VanDerWaalsContact CE2-CG 3.49Å; W45-P61 HydrophobicContact CE3-CG 3.91Å; W45-P61 HydrophobicContact CG-CG 3.81Å; W45-P61 HydrophobicContact CH2-CG 4.22Å; W45-P61 VanDerWaalsContact CZ2-CD 3.4Å; W45-P61 HydrophobicContact CZ2-CG 3.82Å; W45-P61 HydrophobicContact CZ3-CG 4.27Å; W45-I164 HydrophobicContact CB-CB 4.28Å; W45-I164 HydrophobicContact CB-CD1 3.94Å; W45-I164 HydrophobicContact CB-CG2 4.37Å; W45-L269 HydrophobicContact CH2-CD2 4.35Å; W45-L269 HydrophobicContact CZ2-CD2 3.7Å; W45-L269 HydrophobicContact CZ2-CG 4.48Å; W45-E270 PolarHBondContact NE1-OE1 2.98Å
46E92.5Very high84.7Confident95 Ų9552.4 Ų52.444%0.44426%0.257SS..EExtended strand (participates in β ladder)trans-140.6137.9173.9-174.5176.375.800109.3V35 R72V35-E46 WeakPolarHBondContact O-CA 3.33Å; E46-R72 IonicContact OE1-NH2 2.7Å; E46-R72 PolarHBondContact OE1-NH2 3.49Å; E46-R72 IonicContact OE2-CZ 3.51Å; E46-R72 VanDerWaalsContact OE2-CZ 3.28Å; E46-R72 IonicContact OE2-NE 3.02Å; E46-R72 PolarHBondContact OE2-NE 3.32Å; E46-R72 IonicContact OE2-NH2 3.78Å; E46-R72 PolarHBondContact OE2-NH2 3.46Å
47M94.4Very high84.6Confident20 Ų2052.6 Ų52.610%0.09926%0.257CS..EExtended strand (participates in β ladder)trans-134.9147.5168.8-86-170.450.100111.7F34 V35 W45 W49 L269 E270F34-M47 WeakPolarHBondContact CA-O 3.43Å; V35-M47 PolarHBondContact N-O 3.17Å; V35-M47 PolarHBondContact O-N 2.85Å; W45-M47 HydrophobicContact CH2-CB 3.55Å; W45-M47 HydrophobicContact CH2-CG 3.73Å; W45-M47 HydrophobicContact CH2-SD 3.91Å; W45-M47 HydrophobicContact CZ2-CB 3.71Å; W45-M47 HydrophobicContact CZ2-CG 3.29Å; W45-M47 HydrophobicContact CZ2-SD 3.23Å; W45-M47 WeakPolarHBondContact CZ2-SD 3.49Å; W45-M47 HydrophobicContact CZ3-CB 4.15Å; M47-W49 HydrophobicContact CE-CH2 4.22Å; M47-W49 HydrophobicContact CE-CZ2 3.6Å; M47-W49 HydrophobicContact SD-CZ2 4.42Å; M47-L269 HydrophobicContact SD-CD2 4.5Å; M47-L269 HydrophobicContact SD-CG 4.13Å; M47-E270 HydrophobicContact SD-CB 4.39Å; M47-E270 HydrophobicContact SD-CG 3.9Å
48E95.3Very high84.6Confident100 Ų10052.6 Ų52.647%0.46726%0.257SS..EExtended strand (participates in β ladder)trans-87.1140.4166.1-172.2174.6-17100109.7S32 V33 F34S32-E48 WeakPolarHBondContact CB-OE1 3.41Å; S32-E48 PolarHBondContact OG-OE1 3Å; V33-E48 CarbonylContact O-C 3.59Å; V33-E48 WeakPolarHBondContact O-CA 3.22Å; F34-E48 HydrophobicContact CD1-CB 3.86Å; F34-E48 HydrophobicContact CD1-CG 4.18Å; F34-E48 HydrophobicContact CE1-CB 3.67Å; F34-E48 HydrophobicContact CE1-CG 3.75Å; F34-E48 HydrophobicContact CE2-CG 4.42Å; F34-E48 HydrophobicContact CZ-CB 4.32Å; F34-E48 HydrophobicContact CZ-CG 3.87Å
49W94.9Very high84.8Confident4 Ų449.5 Ų49.52%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-131.2139.1175.1-6781.2000110.6S32 V33 M47 V58 F59 L269 L272 E273S32-W49 CarbonylContact C-O 3.33Å; S32-W49 WeakPolarHBondContact CA-O 3.25Å; S32-W49 VanDerWaalsContact CB-O 3.26Å; S32-W49 WeakPolarHBondContact CB-O 3.47Å; V33-W49 HydrophobicContact CG2-CB 4.05Å; V33-W49 PolarHBondContact N-O 2.91Å; V33-W49 PolarHBondContact O-N 2.84Å; M47-W49 HydrophobicContact CE-CH2 4.22Å; M47-W49 HydrophobicContact CE-CZ2 3.6Å; M47-W49 HydrophobicContact SD-CZ2 4.42Å; W49-V58 HydrophobicContact CB-CB 4.36Å; W49-V58 HydrophobicContact CB-CG1 3.49Å; W49-V58 VanDerWaalsContact CB-CG1 3.49Å; W49-V58 HydrophobicContact CD2-CB 3.81Å; W49-V58 HydrophobicContact CD2-CG1 3.91Å; W49-V58 HydrophobicContact CG-CB 3.69Å; W49-V58 HydrophobicContact CG-CG1 3.35Å; W49-F59 HydrophobicContact CH2-CB 3.77Å; W49-F59 AromaticContact CH2-CD2 3.88Å; W49-F59 HydrophobicContact CH2-CD2 3.88Å; W49-F59 HydrophobicContact CH2-CG 4.34Å; W49-F59 HydrophobicContact CZ2-CB 3.84Å; W49-F59 VanDerWaalsContact CZ2-O 3.29Å; W49-F59 WeakPolarHBondContact CZ2-O 3.4Å; W49-F59 HydrophobicContact CZ3-CD2 4.2Å; W49-L269 HydrophobicContact CH2-CD1 4.34Å; W49-L269 HydrophobicContact CZ2-CD1 4.48Å; W49-L272 HydrophobicContact CH2-CD2 4.04Å; W49-L272 HydrophobicContact CZ3-CD2 4.4Å; W49-E273 WeakPolarHBondContact CA-OE2 3.49Å; W49-E273 HydrophobicContact CD2-CG 4.38Å; W49-E273 HydrophobicContact CE3-CG 3.53Å; W49-E273 HydrophobicContact CZ3-CG 3.66Å
50T92.3Very high85.4Confident83 Ų8348.6 Ų48.651%0.50924%0.238SC..EExtended strand (participates in β ladder)trans-75.3132.4179.8-55.60000111.2E273T50-E273 WeakPolarHBondContact CB-OE1 3.11Å; T50-E273 PolarHBondContact N-OE1 2.81Å; T50-E273 PolarHBondContact N-OE2 3.21Å; T50-E273 PolarHBondContact OG1-OE1 3.45Å
51L88.9Confident86.4Confident11 Ų1143.7 Ų43.76%0.05821%0.212CC..  trans-79.6146173.1-75.6165.9000111.6I24 C30 Q31 V33 E53 M55 F56I24-L51 HydrophobicContact CD1-CD1 3.73Å; I24-L51 HydrophobicContact CD1-CD2 4.22Å; C30-L51 HydrophobicContact CB-CD1 3.97Å; C30-L51 WeakPolarHBondContact O-CD1 3.37Å; Q31-L51 WeakPolarHBondContact O-CB 3.39Å; Q31-L51 PolarHBondContact O-N 2.77Å; V33-L51 HydrophobicContact CG1-CD1 3.93Å; V33-L51 HydrophobicContact CG1-CD2 3.77Å; V33-L51 HydrophobicContact CG1-CG 3.93Å; L51-E53 WeakPolarHBondContact CB-O 3.36Å; L51-M55 WeakPolarHBondContact CD2-O 3.41Å; L51-F56 HydrophobicContact CD2-CB 3.78Å; L51-F56 HydrophobicContact CD2-CD1 4.18Å; L51-F56 HydrophobicContact CD2-CG 4.48Å
52C82.5Confident87.6Confident3 Ų336.4 Ų36.42%0.0219%0.185CC..BIsolated β-bridgetrans-107.897.4164.2-179.40000108.2S54 M55 F337 W418C52-S54 PolarHBondContact O-N 2.75Å; C52-M55 PolarHBondContact N-O 3.29Å; C52-M55 WeakPolarHBondContact O-CB 3.05Å; C52-M55 PolarHBondContact O-N 3.02Å; C52-F337 HydrophobicContact CB-CB 4.19Å; C52-F337 HydrophobicContact CB-CD1 3.5Å; C52-F337 VanDerWaalsContact CB-CD1 3.5Å; C52-F337 HydrophobicContact CB-CD2 3.56Å; C52-F337 HydrophobicContact CB-CE1 3.58Å; C52-F337 HydrophobicContact CB-CE2 3.66Å; C52-F337 HydrophobicContact CB-CG 3.47Å; C52-F337 VanDerWaalsContact CB-CG 3.47Å; C52-F337 HydrophobicContact CB-CZ 3.66Å; C52-W418 WeakPolarHBondContact SG-CZ3 3.16Å
53E84Confident88.9Confident55 Ų5528.7 Ų28.726%0.25715%0.151SC..THydrogen-bonded Turntrans54.1-119.5-164.5-66.1-73.2-171.900110.2Y27 L51 W418Y27-E53 WeakPolarHBondContact CE1-OE2 3.25Å; Y27-E53 WeakPolarHBondContact CE2-O 3.42Å; Y27-E53 VanDerWaalsContact CZ-O 3.31Å; Y27-E53 PolarHBondContact OH-O 2.84Å; L51-E53 WeakPolarHBondContact CB-O 3.36Å; E53-W418 HydrophobicContact CG-CB 4.19Å; E53-W418 HydrophobicContact CG-CD2 4.3Å; E53-W418 HydrophobicContact CG-CG 3.97Å; E53-W418 VanDerWaalsContact OE1-CG 3.29Å
54S88.7Confident90Very high22 Ų2230.5 Ų30.515%0.15416%0.161CC..THydrogen-bonded Turntrans-85.9-8.5175.2610000114.1N23 I24 C52N23-S54 CarbonylContact C-O 3.59Å; N23-S54 WeakPolarHBondContact CA-O 3.28Å; N23-S54 WeakPolarHBondContact CB-O 3.39Å; I24-S54 PolarHBondContact N-O 3Å; I24-S54 VanDerWaalsContact O-CB 3.24Å; I24-S54 WeakPolarHBondContact O-CB 3.49Å; C52-S54 PolarHBondContact O-N 2.75Å
55M90.1Very high90.5Very high18 Ų1826.3 Ų26.39%0.08915%0.146CC..EExtended strand (participates in β ladder)trans-92.6143.6-169.7-58.7179.2-68.500112.1G22 N23 L51 C52 F337 F389 I392G22-M55 WeakPolarHBondContact O-CA 3.49Å; N23-M55 HydrophobicContact CB-CG 4.26Å; L51-M55 WeakPolarHBondContact CD2-O 3.41Å; C52-M55 PolarHBondContact N-O 3.29Å; C52-M55 WeakPolarHBondContact O-CB 3.05Å; C52-M55 PolarHBondContact O-N 3.02Å; M55-F337 HydrophobicContact CB-CE1 4.05Å; M55-F337 HydrophobicContact CB-CZ 3.85Å; M55-F337 HydrophobicContact CE-CE1 4.21Å; M55-F389 HydrophobicContact CB-CD2 4.49Å; M55-F389 HydrophobicContact CB-CE2 4.14Å; M55-F389 HydrophobicContact CB-CZ 4.28Å; M55-F389 HydrophobicContact SD-CB 3.99Å; M55-F389 HydrophobicContact SD-CD1 4.06Å; M55-F389 HydrophobicContact SD-CD2 4.13Å; M55-F389 HydrophobicContact SD-CG 3.82Å; M55-I392 HydrophobicContact CE-CB 4.38Å; M55-I392 HydrophobicContact CE-CD1 4.27Å; M55-I392 HydrophobicContact CE-CG1 4.2Å
56F90.6Very high90.6Very high0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-127.7149172.854.4-88.2000111.6F2 L20 G22 V33 L51 V58 L71 F389F2-F56 AromaticContact CD1-CE1 3.75Å; F2-F56 HydrophobicContact CD1-CE1 3.75Å; F2-F56 HydrophobicContact CD1-CZ 4.19Å; F2-F56 HydrophobicContact CE1-CE1 4.28Å; L20-F56 HydrophobicContact CD2-CE2 4.25Å; L20-F56 HydrophobicContact CG-CE2 4.14Å; G22-F56 VanDerWaalsContact N-CE2 3.33Å; G22-F56 PolarHBondContact N-O 2.88Å; G22-F56 WeakPolarHBondContact O-CD1 3.5Å; G22-F56 PolarHBondContact O-N 3.2Å; V33-F56 HydrophobicContact CG2-CB 4.05Å; V33-F56 HydrophobicContact CG2-CG 4.49Å; L51-F56 HydrophobicContact CD2-CB 3.78Å; L51-F56 HydrophobicContact CD2-CD1 4.18Å; L51-F56 HydrophobicContact CD2-CG 4.48Å; F56-V58 HydrophobicContact CB-CG1 4.25Å; F56-V58 HydrophobicContact CD2-CG1 4.25Å; F56-L71 HydrophobicContact CE1-CD2 4.18Å; F56-L71 HydrophobicContact CE2-CD2 3.78Å; F56-L71 HydrophobicContact CZ-CD2 3.55Å; F56-F389 WeakPolarHBondContact O-CZ 3.46Å
57K91.5Very high90.6Very high9 Ų921.9 Ų21.94%0.03913%0.128CC..EExtended strand (participates in β ladder)trans-129.1118.5158.9-56.9-173.8-173160.90106.4L20 K21 L333 G336 F337 F389L20-K57 WeakPolarHBondContact O-CA 3.47Å; K21-K57 HydrophobicContact CG-CG 4.21Å; K57-L333 PolarHBondContact NZ-O 3.02Å; K57-G336 PolarHBondContact NZ-O 2.83Å; K57-F337 HydrophobicContact CB-CE2 4.45Å; K57-F337 HydrophobicContact CG-CE2 4.11Å; K57-F337 HydrophobicContact CG-CZ 3.91Å; K57-F389 HydrophobicContact CD-CD2 4.38Å; K57-F389 HydrophobicContact CD-CE2 4.06Å; K57-F389 HydrophobicContact CG-CD2 4.24Å; K57-F389 HydrophobicContact CG-CE2 3.47Å; K57-F389 VanDerWaalsContact CG-CE2 3.47Å; K57-F389 HydrophobicContact CG-CZ 4.28Å
58V93.1Very high90.6Very high0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-124.8143.1-179.1-50.70000109Q19 L20 V33 V35 W49 F56 V60Q19-V58 CarbonylContact C-O 3.57Å; Q19-V58 WeakPolarHBondContact CA-O 3.38Å; L20-V58 HydrophobicContact CB-CG2 3.62Å; L20-V58 HydrophobicContact CD2-CG2 3.97Å; L20-V58 HydrophobicContact CG-CG2 4.23Å; L20-V58 PolarHBondContact N-O 3.43Å; L20-V58 PolarHBondContact O-N 3.1Å; V33-V58 HydrophobicContact CG2-CG1 3.87Å; V35-V58 HydrophobicContact CB-CG2 4.49Å; V35-V58 HydrophobicContact CG1-CB 4.2Å; V35-V58 HydrophobicContact CG1-CG2 4.18Å; W49-V58 HydrophobicContact CB-CB 4.36Å; W49-V58 HydrophobicContact CB-CG1 3.49Å; W49-V58 VanDerWaalsContact CB-CG1 3.49Å; W49-V58 HydrophobicContact CD2-CB 3.81Å; W49-V58 HydrophobicContact CD2-CG1 3.91Å; W49-V58 HydrophobicContact CG-CB 3.69Å; W49-V58 HydrophobicContact CG-CG1 3.35Å; F56-V58 HydrophobicContact CB-CG1 4.25Å; F56-V58 HydrophobicContact CD2-CG1 4.25Å; V58-V60 HydrophobicContact CG2-CG2 3.92Å
59F95Very high90.6Very high0 Ų018.8 Ų18.80%012%0.117CC..EExtended strand (participates in β ladder)trans-104.1133.2171.8-75.8-90.4000109L17 F18 Q19 W45 W49 L131 T134 L269 L272 L335L17-F59 HydrophobicContact CD1-CB 4.1Å; L17-F59 HydrophobicContact CD1-CD1 4.49Å; L17-F59 HydrophobicContact CD2-CD1 4.12Å; L17-F59 HydrophobicContact CG-CD1 4.02Å; F18-F59 CarbonylContact O-C 3.6Å; F18-F59 WeakPolarHBondContact O-CA 3.36Å; Q19-F59 HydrophobicContact CB-CD1 4.03Å; Q19-F59 HydrophobicContact CB-CE1 3.78Å; Q19-F59 HydrophobicContact CB-CZ 4.23Å; Q19-F59 HydrophobicContact CG-CD1 4.37Å; Q19-F59 HydrophobicContact CG-CE1 4.01Å; Q19-F59 HydrophobicContact CG-CE2 4.27Å; Q19-F59 HydrophobicContact CG-CZ 3.95Å; W45-F59 WeakPolarHBondContact CH2-O 3.3Å; W49-F59 HydrophobicContact CH2-CB 3.77Å; W49-F59 AromaticContact CH2-CD2 3.88Å; W49-F59 HydrophobicContact CH2-CD2 3.88Å; W49-F59 HydrophobicContact CH2-CG 4.34Å; W49-F59 HydrophobicContact CZ2-CB 3.84Å; W49-F59 VanDerWaalsContact CZ2-O 3.29Å; W49-F59 WeakPolarHBondContact CZ2-O 3.4Å; W49-F59 HydrophobicContact CZ3-CD2 4.2Å; F59-L131 HydrophobicContact CD1-CD2 3.88Å; F59-L131 HydrophobicContact CE1-CD2 3.62Å; F59-L131 HydrophobicContact CE2-CD2 4.29Å; F59-L131 HydrophobicContact CG-CD2 4.31Å; F59-L131 HydrophobicContact CZ-CD2 3.85Å; F59-T134 HydrophobicContact CD1-CG2 4.3Å; F59-T134 HydrophobicContact CE1-CG2 3.86Å; F59-L269 HydrophobicContact CB-CD1 3.76Å; F59-L269 HydrophobicContact CB-CD2 4.48Å; F59-L272 HydrophobicContact CD2-CD2 3.65Å; F59-L272 HydrophobicContact CE2-CD2 3.94Å; F59-L272 HydrophobicContact CG-CD2 4.29Å; F59-L335 HydrophobicContact CE2-CB 4.46Å; F59-L335 HydrophobicContact CE2-CD2 4.27Å; F59-L335 WeakPolarHBondContact CE2-O 3.13Å; F59-L335 HydrophobicContact CZ-CD2 3.75Å
60V92.8Very high90.6Very high0 Ų020.9 Ų20.90%013%0.127CC..EExtended strand (participates in β ladder)trans-129.1118.1-168.8-172.30000108.5F18 L20 V35 V37 W45 V58 L62 L69F18-V60 PolarHBondContact N-O 2.81Å; F18-V60 PolarHBondContact O-N 3.37Å; L20-V60 HydrophobicContact CB-CG2 4.49Å; V35-V60 HydrophobicContact CG1-CG2 4.26Å; V35-V60 HydrophobicContact CG2-CG1 4.38Å; V35-V60 HydrophobicContact CG2-CG2 3.74Å; V37-V60 HydrophobicContact CG2-CG1 3.1Å; W45-V60 HydrophobicContact CZ3-CG1 4.37Å; V58-V60 HydrophobicContact CG2-CG2 3.92Å; V60-L62 HydrophobicContact CG1-CD2 4.38Å; V60-L69 HydrophobicContact CB-CD2 4.3Å; V60-L69 HydrophobicContact CG1-CD2 3.81Å; V60-L69 HydrophobicContact CG1-CG 3.98Å; V60-L69 HydrophobicContact CG2-CD2 4.28Å
61P92.3Very high90.7Very high0 Ų017 Ų170%010%0.103CC..EExtended strand (participates in β ladder)trans-74.8139.2175.633.4-35.9000111.1P16 W45 I164 S168 L269P16-P61 CarbonylContact O-C 3.55Å; W45-P61 HydrophobicContact CD2-CG 3.49Å; W45-P61 VanDerWaalsContact CD2-CG 3.49Å; W45-P61 VanDerWaalsContact CE2-CG 3.49Å; W45-P61 HydrophobicContact CE3-CG 3.91Å; W45-P61 HydrophobicContact CG-CG 3.81Å; W45-P61 HydrophobicContact CH2-CG 4.22Å; W45-P61 VanDerWaalsContact CZ2-CD 3.4Å; W45-P61 HydrophobicContact CZ2-CG 3.82Å; W45-P61 HydrophobicContact CZ3-CG 4.27Å; P61-I164 HydrophobicContact CB-CG2 3.61Å; P61-I164 HydrophobicContact CG-CG2 3.62Å; P61-S168 WeakPolarHBondContact CB-OG 2.98Å; P61-L269 HydrophobicContact CG-CD2 4.42Å
62L90.8Very high91.1Very high7 Ų719.7 Ų19.74%0.03711%0.112CC..  trans-119.8139.9-177.4-56.5-179.4000110.5V13 P16 F18 V60 N67 L69 I82 Y84V13-L62 HydrophobicContact CG2-CD1 3.6Å; P16-L62 WeakPolarHBondContact O-CB 3.4Å; P16-L62 PolarHBondContact O-N 2.89Å; F18-L62 HydrophobicContact CB-CD1 3.78Å; F18-L62 HydrophobicContact CB-CG 4.13Å; V60-L62 HydrophobicContact CG1-CD2 4.38Å; L62-N67 HydrophobicContact CD2-CB 3.97Å; L62-L69 HydrophobicContact CD2-CD1 4.02Å; L62-I82 HydrophobicContact CD1-CB 4.47Å; L62-I82 HydrophobicContact CD1-CG2 3.67Å; L62-I82 HydrophobicContact CD2-CB 4.39Å; L62-I82 HydrophobicContact CD2-CG2 4.45Å; L62-Y84 HydrophobicContact CB-CD1 4.24Å; L62-Y84 HydrophobicContact CB-CG 4.3Å
63S87.4Confident91.6Very high18 Ų1820.2 Ų20.213%0.12612%0.116CC..  trans-94.1151.7167-71.50000110.6N39 G65 N67N39-S63 WeakPolarHBondContact ND2-CB 3.45Å; N39-S63 PolarHBondContact ND2-OG 2.86Å; S63-G65 PolarHBondContact O-N 2.92Å; S63-N67 PolarHBondContact N-OD1 2.73Å; S63-N67 PolarHBondContact O-ND2 3.01Å; S63-N67 PolarHBondContact O-OD1 3.32Å
64V86.3Confident92.1Very high59 Ų5925.7 Ų25.736%0.35814%0.141SC..SBendtrans-57129.5175.7177.90000109.5Y84 H86V64-Y84 HydrophobicContact CB-CD1 4.49Å; V64-Y84 HydrophobicContact CG2-CD1 3.99Å; V64-Y84 HydrophobicContact CG2-CE1 3.67Å; V64-H86 HydrophobicContact CG2-CB 4.02Å
65G89.1Confident92.4Very high32 Ų3229.8 Ų29.833%0.3316%0.158SC..EExtended strand (participates in β ladder)trans106.7-155.9-174.400000112.8S63 N67 A83 Y84S63-G65 PolarHBondContact O-N 2.92Å; G65-N67 PolarHBondContact O-ND2 2.86Å; G65-N67 VanDerWaalsContact O-ND2 3.17Å; G65-A83 CarbonylContact O-C 3.58Å; G65-A83 WeakPolarHBondContact O-CA 3.37Å; G65-Y84 PolarHBondContact N-O 2.81Å; G65-Y84 PolarHBondContact O-N 2.77Å
66C91.5Very high92.6Very high19 Ų1931.9 Ų31.913%0.12817%0.165CC..EExtended strand (participates in β ladder)trans-80.7131.8179.8-161.50000110.9L458C66-L458 HydrophobicContact CB-CD2 3.5Å; C66-L458 VanDerWaalsContact CB-CD2 3.5Å
67N92.5Very high92.8Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-121121.7173.5-56.9-94.5000108V37 L62 S63 G65 L69 R81 I82V37-N67 HydrophobicContact CG1-CB 4.01Å; L62-N67 HydrophobicContact CD2-CB 3.97Å; S63-N67 PolarHBondContact N-OD1 2.73Å; S63-N67 PolarHBondContact O-ND2 3.01Å; S63-N67 PolarHBondContact O-OD1 3.32Å; G65-N67 PolarHBondContact O-ND2 2.86Å; G65-N67 VanDerWaalsContact O-ND2 3.17Å; N67-L69 HydrophobicContact CB-CD1 3.84Å; N67-L69 WeakPolarHBondContact O-CD1 3.35Å; N67-R81 CarbonylContact O-C 3.53Å; N67-R81 VanDerWaalsContact O-CA 3.25Å; N67-R81 WeakPolarHBondContact O-CA 3.06Å; N67-I82 WeakPolarHBondContact CB-O 3.38Å; N67-I82 PolarHBondContact N-O 2.81Å; N67-I82 PolarHBondContact ND2-O 3.1Å; N67-I82 PolarHBondContact O-N 2.88Å
68T94.3Very high92.9Very high55 Ų5538.4 Ų38.434%0.33720%0.202SC..EExtended strand (participates in β ladder)trans-86.1115.1170.5-59.40000108.2V37 H38V37-T68 WeakPolarHBondContact CA-O 3.33Å; H38-T68 PolarHBondContact N-O 2.74Å; H38-T68 PolarHBondContact O-N 2.86Å
69L94.1Very high92.9Very high0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-97.8130.4176-81.864.2000108.6S36 V37 V60 L62 N67 D79 F80 I82S36-L69 WeakPolarHBondContact O-CA 3.24Å; V37-L69 HydrophobicContact CG1-CD1 4.46Å; V37-L69 HydrophobicContact CG2-CD1 4.47Å; V37-L69 HydrophobicContact CG2-CG 4.32Å; V60-L69 HydrophobicContact CB-CD2 4.3Å; V60-L69 HydrophobicContact CG1-CD2 3.81Å; V60-L69 HydrophobicContact CG1-CG 3.98Å; V60-L69 HydrophobicContact CG2-CD2 4.28Å; L62-L69 HydrophobicContact CD2-CD1 4.02Å; N67-L69 HydrophobicContact CB-CD1 3.84Å; N67-L69 WeakPolarHBondContact O-CD1 3.35Å; L69-D79 VanDerWaalsContact O-CA 3.31Å; L69-D79 WeakPolarHBondContact O-CA 3.24Å; L69-F80 HydrophobicContact CB-CD1 4.44Å; L69-F80 HydrophobicContact CB-CE1 4Å; L69-F80 HydrophobicContact CB-CE2 4.32Å; L69-F80 HydrophobicContact CB-CZ 3.93Å; L69-F80 HydrophobicContact CD2-CE2 3.97Å; L69-F80 HydrophobicContact CD2-CZ 3.71Å; L69-F80 HydrophobicContact CG-CZ 4.5Å; L69-F80 PolarHBondContact N-O 2.86Å; L69-F80 PolarHBondContact O-N 2.83Å; L69-I82 HydrophobicContact CD1-CB 4.28Å; L69-I82 HydrophobicContact CD1-CD1 4.45Å; L69-I82 HydrophobicContact CD1-CG1 4.25Å; L69-I82 HydrophobicContact CD2-CD1 3.6Å; L69-I82 HydrophobicContact CD2-CG1 4.12Å
70Q94.6Very high92.8Very high48 Ų4843.1 Ų43.122%0.22423%0.226CC..EExtended strand (participates in β ladder)trans-114.8117.8171.4166166.8115.100108.7V35 S36 L77 D79V35-Q70 CarbonylContact C-O 3.57Å; V35-Q70 WeakPolarHBondContact CA-O 3.3Å; S36-Q70 PolarHBondContact N-O 3.38Å; S36-Q70 PolarHBondContact O-N 2.99Å; S36-Q70 WeakPolarHBondContact OG-CB 3.11Å; Q70-L77 HydrophobicContact CG-CD1 3.53Å; Q70-D79 WeakPolarHBondContact CA-OD1 3.23Å; Q70-D79 WeakPolarHBondContact CB-OD1 3.42Å; Q70-D79 WeakPolarHBondContact CG-OD1 3.39Å; Q70-D79 PolarHBondContact NE2-OD1 3.44Å; Q70-D79 PolarHBondContact NE2-OD2 2.96Å
71L95.4Very high92.8Very high0 Ų047.4 Ų47.40%024%0.242CC..EExtended strand (participates in β ladder)trans-106.6121.7175.8178.970000108.7F2 L20 V33 F34 V35 F56 V78F2-L71 HydrophobicContact CB-CD2 4.24Å; F2-L71 HydrophobicContact CD1-CD2 3.46Å; F2-L71 VanDerWaalsContact CD1-CD2 3.46Å; F2-L71 HydrophobicContact CD1-CG 4.01Å; F2-L71 HydrophobicContact CD2-CD2 4.2Å; F2-L71 HydrophobicContact CD2-CG 4.25Å; F2-L71 HydrophobicContact CE1-CD1 4.45Å; F2-L71 HydrophobicContact CE1-CD2 3.74Å; F2-L71 HydrophobicContact CE1-CG 3.8Å; F2-L71 HydrophobicContact CE2-CD2 4.42Å; F2-L71 HydrophobicContact CE2-CG 4.04Å; F2-L71 VanDerWaalsContact CE2-O 3.22Å; F2-L71 WeakPolarHBondContact CE2-O 3.35Å; F2-L71 HydrophobicContact CG-CD2 3.71Å; F2-L71 HydrophobicContact CG-CG 4.23Å; F2-L71 HydrophobicContact CZ-CD2 4.22Å; F2-L71 HydrophobicContact CZ-CG 3.82Å; L20-L71 HydrophobicContact CD2-CD2 4.16Å; V33-L71 HydrophobicContact CB-CD1 3.99Å; V33-L71 HydrophobicContact CG2-CD1 4.1Å; F34-L71 WeakPolarHBondContact O-CA 3.23Å; V35-L71 HydrophobicContact CB-CD1 4.26Å; F56-L71 HydrophobicContact CE1-CD2 4.18Å; F56-L71 HydrophobicContact CE2-CD2 3.78Å; F56-L71 HydrophobicContact CZ-CD2 3.55Å; L71-V78 HydrophobicContact CB-CG1 3.82Å; L71-V78 HydrophobicContact CD2-CG1 4.22Å; L71-V78 HydrophobicContact CG-CG1 4.41Å; L71-V78 PolarHBondContact N-O 3.48Å; L71-V78 PolarHBondContact O-N 3.06Å
72R95.8Very high92.8Very high69 Ų6947.4 Ų47.426%0.2624%0.242SC..EExtended strand (participates in β ladder)trans-135.7151-174.769.7-177.6-178.974.60.1113.1V33 F34 E46 Y76 L77V33-R72 CarbonylContact C-O 3.44Å; V33-R72 WeakPolarHBondContact CA-O 3.29Å; F34-R72 HydrophobicContact CB-CG 3.69Å; F34-R72 VanDerWaalsContact CB-CZ 3.5Å; F34-R72 PolarHBondContact N-O 3.24Å; F34-R72 PolarHBondContact O-N 2.69Å; E46-R72 IonicContact OE1-NH2 2.7Å; E46-R72 PolarHBondContact OE1-NH2 3.49Å; E46-R72 IonicContact OE2-CZ 3.51Å; E46-R72 VanDerWaalsContact OE2-CZ 3.28Å; E46-R72 IonicContact OE2-NE 3.02Å; E46-R72 PolarHBondContact OE2-NE 3.32Å; E46-R72 IonicContact OE2-NH2 3.78Å; E46-R72 PolarHBondContact OE2-NH2 3.46Å; R72-Y76 CarbonylContact C-O 3.56Å; R72-Y76 WeakPolarHBondContact CA-O 3.39Å; R72-L77 HydrophobicContact CB-CD1 3.55Å
73C94.9Very high92.9Very high13 Ų1347.2 Ų47.29%0.08824%0.242CC..  trans-135.2-174160.573.10000108.2F2 I24 C30 V33 H75 Y76F2-C73 HydrophobicContact CZ-CB 4.13Å; I24-C73 HydrophobicContact CD1-CB 4.47Å; C30-C73 HydrophobicContact CB-CB 4.15Å; V33-C73 HydrophobicContact CG1-CB 4.44Å; C73-H75 PolarHBondContact O-N 3.46Å; C73-H75 VanDerWaalsContact O-N 3.1Å; C73-Y76 PolarHBondContact N-O 3.39Å; C73-Y76 PolarHBondContact SG-N 3.42Å; C73-Y76 VanDerWaalsContact SG-N 3.43Å
74E93.6Very high93.1Very high170 Ų17046.8 Ų46.879%0.79424%0.237SC*.SBendtrans-57.7-26.6179.4-62.6-178.6167.800113.9
75H95.5Very high93.2Very high109 Ų10945.5 Ų45.551%0.50523%0.229SC..SBendtrans-113.6-23.1-169.8-60.998.5000114.6C28 C30 C73C28-H75 HydrophobicContact CB-CB 3.96Å; C30-H75 PolarHBondContact SG-ND1 3.4Å; C73-H75 PolarHBondContact O-N 3.46Å; C73-H75 VanDerWaalsContact O-N 3.1Å
76Y94.7Very high92.9Very high61 Ų6145.5 Ų45.524%0.23922%0.221CC..  trans-136149-172.8-57.3-63.4000110.8M1 F2 I24 P26 C28 R72 C73M1-Y76 HydrophobicContact CG-CD1 4.37Å; M1-Y76 HydrophobicContact CG-CE1 4.31Å; M1-Y76 VanDerWaalsContact N-CE2 3.28Å; F2-Y76 WeakPolarHBondContact CE2-O 3.42Å; I24-Y76 HydrophobicContact CG2-CD2 3.42Å; I24-Y76 VanDerWaalsContact CG2-CD2 3.42Å; I24-Y76 HydrophobicContact CG2-CE2 3.43Å; I24-Y76 VanDerWaalsContact CG2-CE2 3.43Å; P26-Y76 PolarHBondContact O-OH 3.17Å; C28-Y76 HydrophobicContact CB-CD2 4.42Å; C28-Y76 HydrophobicContact CB-CE2 3.72Å; R72-Y76 CarbonylContact C-O 3.56Å; R72-Y76 WeakPolarHBondContact CA-O 3.39Å; C73-Y76 PolarHBondContact N-O 3.39Å; C73-Y76 PolarHBondContact SG-N 3.42Å; C73-Y76 VanDerWaalsContact SG-N 3.43Å
77L94.1Very high92.4Very high103 Ų10346.1 Ų46.154%0.53922%0.223SC..EExtended strand (participates in β ladder)trans-137.3136.5177-179.569000107.7Q70 R72Q70-L77 HydrophobicContact CG-CD1 3.53Å; R72-L77 HydrophobicContact CB-CD1 3.55Å
78V94Very high91.4Very high44 Ų4454.5 Ų54.527%0.26726%0.255SS..EExtended strand (participates in β ladder)trans-142.8135.5169.167.80000109.8F2 I4 L71F2-V78 HydrophobicContact CB-CB 4.46Å; F2-V78 HydrophobicContact CB-CG1 3.75Å; F2-V78 HydrophobicContact CD2-CB 4.09Å; F2-V78 HydrophobicContact CD2-CG1 3.52Å; F2-V78 HydrophobicContact CE2-CG1 4.41Å; F2-V78 HydrophobicContact CG-CG1 3.89Å; I4-V78 HydrophobicContact CD1-CG1 4.3Å; L71-V78 HydrophobicContact CB-CG1 3.82Å; L71-V78 HydrophobicContact CD2-CG1 4.22Å; L71-V78 HydrophobicContact CG-CG1 4.41Å; L71-V78 PolarHBondContact N-O 3.48Å; L71-V78 PolarHBondContact O-N 3.06Å
79D92.6Very high90.6Very high86 Ų8658.9 Ų58.946%0.4628%0.276SS..EExtended strand (participates in β ladder)trans-115.4140.2175.1-59.7-22.2000109.2L69 Q70L69-D79 VanDerWaalsContact O-CA 3.31Å; L69-D79 WeakPolarHBondContact O-CA 3.24Å; Q70-D79 WeakPolarHBondContact CA-OD1 3.23Å; Q70-D79 WeakPolarHBondContact CB-OD1 3.42Å; Q70-D79 WeakPolarHBondContact CG-OD1 3.39Å; Q70-D79 PolarHBondContact NE2-OD1 3.44Å; Q70-D79 PolarHBondContact NE2-OD2 2.96Å
80F91.9Very high90.2Very high13 Ų1360.1 Ų60.16%0.05728%0.284CS..EExtended strand (participates in β ladder)trans-158.1165.817465.5-77.8000109.7I4 A7 D9 L20 L69 I82I4-F80 HydrophobicContact CD1-CD1 3.8Å; I4-F80 HydrophobicContact CD1-CE1 3.6Å; I4-F80 HydrophobicContact CD1-CG 4.47Å; I4-F80 HydrophobicContact CD1-CZ 4.1Å; A7-F80 HydrophobicContact CB-CE2 4.01Å; D9-F80 HydrophobicContact CB-CB 4.2Å; L20-F80 HydrophobicContact CD1-CE1 4.48Å; L20-F80 HydrophobicContact CD1-CE2 4.16Å; L20-F80 HydrophobicContact CD1-CZ 3.58Å; L20-F80 HydrophobicContact CD2-CE1 4.1Å; L20-F80 HydrophobicContact CD2-CZ 3.71Å; L20-F80 HydrophobicContact CG-CZ 4.28Å; L69-F80 HydrophobicContact CB-CD1 4.44Å; L69-F80 HydrophobicContact CB-CE1 4Å; L69-F80 HydrophobicContact CB-CE2 4.32Å; L69-F80 HydrophobicContact CB-CZ 3.93Å; L69-F80 HydrophobicContact CD2-CE2 3.97Å; L69-F80 HydrophobicContact CD2-CZ 3.71Å; L69-F80 HydrophobicContact CG-CZ 4.5Å; L69-F80 PolarHBondContact N-O 2.86Å; L69-F80 PolarHBondContact O-N 2.83Å; F80-I82 HydrophobicContact CD2-CG1 4.24Å; F80-I82 HydrophobicContact CE2-CD1 3.93Å; F80-I82 HydrophobicContact CE2-CG1 3.84Å
81R92.9Very high90Very high90 Ų9061 Ų6134%0.3429%0.294SS..EExtended strand (participates in β ladder)trans-111.7142.4-174.8-64.7163.5-65.9-178.50.1112.1D9 L10 N67D9-R81 WeakPolarHBondContact OD1-CB 3.32Å; D9-R81 IonicContact OD1-CZ 3.8Å; D9-R81 PolarHBondContact OD1-N 2.97Å; D9-R81 IonicContact OD1-NE 3.03Å; D9-R81 PolarHBondContact OD1-NE 3.39Å; D9-R81 IonicContact OD1-NH2 3.69Å; D9-R81 IonicContact OD2-CZ 3.56Å; D9-R81 IonicContact OD2-NE 3.57Å; D9-R81 IonicContact OD2-NH2 2.71Å; D9-R81 PolarHBondContact OD2-NH2 3.37Å; L10-R81 WeakPolarHBondContact CA-O 3.38Å; L10-R81 HydrophobicContact CD2-CB 3.92Å; L10-R81 PolarHBondContact N-O 3.48Å; N67-R81 CarbonylContact O-C 3.53Å; N67-R81 VanDerWaalsContact O-CA 3.25Å; N67-R81 WeakPolarHBondContact O-CA 3.06Å
82I93.3Very high90Very high0 Ų064.5 Ų64.50%031%0.308CS..EExtended strand (participates in β ladder)trans-122.3126.3167.3-58.6-174.5000108.7L11 V13 F18 L62 N67 L69 F80L11-I82 CarbonylContact O-C 3.54Å; L11-I82 WeakPolarHBondContact O-CA 3.11Å; V13-I82 HydrophobicContact CG1-CG2 4.48Å; V13-I82 HydrophobicContact CG2-CG2 3.79Å; F18-I82 HydrophobicContact CD1-CD1 3.39Å; F18-I82 HydrophobicContact CD2-CD1 4.23Å; F18-I82 HydrophobicContact CE1-CD1 3.52Å; F18-I82 HydrophobicContact CE2-CD1 4.34Å; F18-I82 HydrophobicContact CG-CD1 3.78Å; F18-I82 HydrophobicContact CZ-CD1 4.01Å; L62-I82 HydrophobicContact CD1-CB 4.47Å; L62-I82 HydrophobicContact CD1-CG2 3.67Å; L62-I82 HydrophobicContact CD2-CB 4.39Å; L62-I82 HydrophobicContact CD2-CG2 4.45Å; N67-I82 WeakPolarHBondContact CB-O 3.38Å; N67-I82 PolarHBondContact N-O 2.81Å; N67-I82 PolarHBondContact ND2-O 3.1Å; N67-I82 PolarHBondContact O-N 2.88Å; L69-I82 HydrophobicContact CD1-CB 4.28Å; L69-I82 HydrophobicContact CD1-CD1 4.45Å; L69-I82 HydrophobicContact CD1-CG1 4.25Å; L69-I82 HydrophobicContact CD2-CD1 3.6Å; L69-I82 HydrophobicContact CD2-CG1 4.12Å; F80-I82 HydrophobicContact CD2-CG1 4.24Å; F80-I82 HydrophobicContact CE2-CD1 3.93Å; F80-I82 HydrophobicContact CE2-CG1 3.84Å
83A92.6Very high89.9Confident3 Ų362.4 Ų62.43%0.02530%0.302CS..EExtended strand (participates in β ladder)trans-91.5119.9172.500000109.9L11 T12 V13 G65L11-A83 PolarHBondContact O-N 3.27Å; T12-A83 CarbonylContact C-O 3.58Å; T12-A83 VanDerWaalsContact CA-O 3.31Å; T12-A83 WeakPolarHBondContact CA-O 3.43Å; T12-A83 HydrophobicContact CG2-CB 4.5Å; V13-A83 PolarHBondContact N-O 2.8Å; G65-A83 CarbonylContact O-C 3.58Å; G65-A83 WeakPolarHBondContact O-CA 3.37Å
84Y91.2Very high89.9Confident8 Ų861.8 Ų61.83%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-98.9114.8171.1170-141000110.1V13 N14 P16 L62 V64 G65 H86 E154V13-Y84 WeakPolarHBondContact O-CA 2.92Å; N14-Y84 VanDerWaalsContact C-CE2 3.5Å; P16-Y84 HydrophobicContact CB-CD1 4.24Å; P16-Y84 HydrophobicContact CB-CE1 3.65Å; L62-Y84 HydrophobicContact CB-CD1 4.24Å; L62-Y84 HydrophobicContact CB-CG 4.3Å; V64-Y84 HydrophobicContact CB-CD1 4.49Å; V64-Y84 HydrophobicContact CG2-CD1 3.99Å; V64-Y84 HydrophobicContact CG2-CE1 3.67Å; G65-Y84 PolarHBondContact N-O 2.81Å; G65-Y84 PolarHBondContact O-N 2.77Å; Y84-H86 PolarHBondContact OH-CD2 3.29Å; Y84-E154 PolarHBondContact OH-OE1 2.89Å
85V88.7Confident89.9Confident32 Ų3255.1 Ų55.119%0.19427%0.266CS..  trans-106116.3177.1-178.10000109.2T12 V13 N14 N87 P450T12-V85 HydrophobicContact CG2-CB 4.38Å; T12-V85 HydrophobicContact CG2-CG2 3.68Å; V13-V85 PolarHBondContact O-N 2.79Å; N14-V85 WeakPolarHBondContact CA-O 3.32Å; V85-N87 PolarHBondContact O-N 3.27Å; V85-P450 HydrophobicContact CB-CG 4.15Å; V85-P450 HydrophobicContact CG1-CG 3.71Å
86H82.5Confident89.9Confident33 Ų3350 Ų5015%0.15324%0.242CC..  trans-79.2117.9176-178.6-71.7000110.3V64 Y84 R88 E154 F156V64-H86 HydrophobicContact CG2-CB 4.02Å; Y84-H86 PolarHBondContact OH-CD2 3.29Å; H86-R88 WeakPolarHBondContact ND1-CG 3.45Å; H86-R88 PolarHBondContact O-N 2.93Å; H86-E154 IonicContact CD2-OE2 3.39Å; H86-E154 PolarHBondContact CD2-OE2 3.22Å; H86-E154 IonicContact NE2-OE2 2.95Å; H86-F156 AromaticContact CD2-CZ 3.55Å; H86-F156 AromaticContact NE2-CE2 3.66Å; H86-F156 AromaticContact NE2-CZ 3.65Å
87N80.5Confident90Very high32 Ų3247.1 Ų47.117%0.17123%0.231CC..  trans-8284.1-178.2-165.7-16000111V85 D89 I151 I447V85-N87 PolarHBondContact O-N 3.27Å; N87-D89 VanDerWaalsContact C-N 3.25Å; N87-D89 PolarHBondContact O-N 3.29Å; N87-I151 HydrophobicContact CB-CD1 3.75Å; N87-I151 WeakPolarHBondContact O-CD1 3.33Å; N87-I447 WeakPolarHBondContact ND2-CG2 3.24Å
88R71.8Confident90.2Very high176 Ų17642.2 Ų42.266%0.66421%0.205SC*.THydrogen-bonded Turntrans-71.5-17.7-175.9-68.6-175.5177.4-175.4-0.1113.9H86H86-R88 WeakPolarHBondContact ND1-CG 3.45Å; H86-R88 PolarHBondContact O-N 2.93Å
89D77.2Confident90.4Very high147 Ų14740.1 Ų40.179%0.78619%0.193SC*.THydrogen-bonded Turntrans-87.3-19.3-168.8-58-36.8000113.2N87 P91N87-D89 VanDerWaalsContact C-N 3.25Å; N87-D89 PolarHBondContact O-N 3.29Å; D89-P91 WeakPolarHBondContact O-CD 3.43Å
90S87Confident90.7Very high25 Ų2536.1 Ų36.118%0.17517%0.171CC..  trans-72.6124.9178-176.90000111.1Y92 I447S90-Y92 PolarHBondContact O-N 2.96Å; S90-Y92 PolarHBondContact OG-N 2.99Å; S90-I447 WeakPolarHBondContact OG-CD1 3.44Å
91P90.3Very high91Very high66 Ų6635.7 Ų35.743%0.42917%0.17SC..  trans-75.9-13.5172.533.2-35.8000112.3D89 N211D89-P91 WeakPolarHBondContact O-CD 3.43Å; P91-N211 WeakPolarHBondContact O-CB 3.18Å
92Y94.8Very high91.2Very high75 Ų7535.2 Ų35.229%0.29418%0.18SC..  trans-87.4117.7-173-59.7-73.3000111.6S90 N211 P444 W445S90-Y92 PolarHBondContact O-N 2.96Å; S90-Y92 PolarHBondContact OG-N 2.99Å; Y92-N211 WeakPolarHBondContact CA-O 3.47Å; Y92-N211 HydrophobicContact CD1-CB 4.06Å; Y92-N211 HydrophobicContact CE1-CB 4.39Å; Y92-N211 VanDerWaalsContact CE1-ND2 3.32Å; Y92-N211 WeakPolarHBondContact CE1-ND2 3.46Å; Y92-P444 HydrophobicContact CD1-CB 3.96Å; Y92-P444 HydrophobicContact CD2-CB 3.71Å; Y92-P444 WeakPolarHBondContact CD2-O 3.4Å; Y92-P444 HydrophobicContact CE1-CB 3.75Å; Y92-P444 HydrophobicContact CE2-CB 3.49Å; Y92-P444 VanDerWaalsContact CE2-CB 3.49Å; Y92-P444 HydrophobicContact CG-CB 3.93Å; Y92-W445 AromaticContact CD1-CD2 3.96Å; Y92-W445 HydrophobicContact CD1-CD2 3.96Å; Y92-W445 AromaticContact CD1-CE2 3.66Å; Y92-W445 HydrophobicContact CD1-CE3 4.24Å; Y92-W445 HydrophobicContact CD1-CH2 4.01Å; Y92-W445 AromaticContact CD1-CZ2 3.74Å; Y92-W445 HydrophobicContact CD1-CZ2 3.74Å; Y92-W445 HydrophobicContact CD1-CZ3 4.24Å; Y92-W445 HydrophobicContact CE1-CH2 4.18Å; Y92-W445 HydrophobicContact CE1-CZ2 4.31Å; Y92-W445 HydrophobicContact CE1-CZ3 4.4Å; Y92-W445 HydrophobicContact CG-CD2 4.38Å
93I93Very high91.4Very high24 Ų2438.4 Ų38.412%0.12320%0.197CC..EExtended strand (participates in β ladder)trans-130.2150.9-177.161.7170.6000112I151 K153 N211 I212 K213 W445I93-I151 WeakPolarHBondContact CA-O 3.28Å; I93-I151 HydrophobicContact CG2-CG2 4.42Å; I93-K153 HydrophobicContact CD1-CB 3.96Å; I93-K153 HydrophobicContact CD1-CD 3.9Å; I93-K153 HydrophobicContact CD1-CG 4.44Å; I93-N211 PolarHBondContact N-O 2.58Å; I93-I212 HydrophobicContact CD1-CD1 4.11Å; I93-I212 HydrophobicContact CD1-CG1 3.83Å; I93-I212 HydrophobicContact CG1-CB 4.3Å; I93-I212 HydrophobicContact CG1-CD1 4.48Å; I93-I212 HydrophobicContact CG1-CG1 3.65Å; I93-I212 HydrophobicContact CG1-CG2 4.26Å; I93-I212 CarbonylContact O-C 3.36Å; I93-I212 WeakPolarHBondContact O-CA 3.4Å; I93-K213 PolarHBondContact O-N 3.05Å; I93-W445 PolarHBondContact O-NE1 3.09Å
94V95.1Very high91.6Very high0 Ų039.3 Ų39.30%020%0.202CC..EExtended strand (participates in β ladder)trans-99.3132.7164.2176.50000108.1F150 I151 K213 I215 L311 F315V94-F150 HydrophobicContact CB-CD2 3.64Å; V94-F150 HydrophobicContact CB-CE2 4.12Å; V94-F150 HydrophobicContact CB-CG 4.36Å; V94-F150 HydrophobicContact CG1-CD2 4.17Å; V94-F150 HydrophobicContact CG1-CE2 4.17Å; V94-F150 HydrophobicContact CG2-CB 3.67Å; V94-F150 HydrophobicContact CG2-CD2 3.48Å; V94-F150 VanDerWaalsContact CG2-CD2 3.48Å; V94-F150 HydrophobicContact CG2-CE2 4.26Å; V94-F150 HydrophobicContact CG2-CG 3.68Å; V94-I151 PolarHBondContact N-O 3.48Å; V94-K213 CarbonylContact C-O 3.39Å; V94-K213 VanDerWaalsContact CA-O 3.32Å; V94-K213 WeakPolarHBondContact CA-O 3.46Å; V94-K213 HydrophobicContact CG2-CB 4.22Å; V94-I215 HydrophobicContact CG1-CD1 3.52Å; V94-I215 HydrophobicContact CG1-CG1 3.96Å; V94-L311 HydrophobicContact CG1-CD1 4.19Å; V94-L311 HydrophobicContact CG2-CD1 4.3Å; V94-F315 HydrophobicContact CG2-CE1 4.03Å; V94-F315 HydrophobicContact CG2-CZ 3.88Å
95K94.2Very high91.8Very high31 Ų3143.9 Ų43.914%0.13523%0.23CC..EExtended strand (participates in β ladder)trans-130.2105.4-175.6-170.5163.9178.9-175.60111.5I97 I174 I212 K213 W214 I215K95-I97 HydrophobicContact CG-CG2 4.43Å; K95-I174 VanDerWaalsContact CE-CD1 3.43Å; K95-I212 HydrophobicContact CB-CG2 3.66Å; K95-K213 PolarHBondContact N-O 3.24Å; K95-W214 HydrophobicContact CB-CE3 4.14Å; K95-W214 HydrophobicContact CB-CZ3 4.34Å; K95-W214 HydrophobicContact CD-CE3 4.22Å; K95-W214 HydrophobicContact CD-CH2 3.84Å; K95-W214 HydrophobicContact CD-CZ3 3.56Å; K95-W214 HydrophobicContact CG-CE3 4.14Å; K95-W214 HydrophobicContact CG-CZ3 3.92Å; K95-W214 WeakPolarHBondContact O-CA 3.35Å; K95-I215 PolarHBondContact O-N 3.12Å
96P96.1Very high92.1Very high1 Ų142.3 Ų42.31%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-72140.917025.3-27.7000111.7I125 I129 C173 I174 I215P96-I125 HydrophobicContact CB-CG2 3.62Å; P96-I129 HydrophobicContact CB-CG1 3.87Å; P96-I129 HydrophobicContact CG-CB 4.45Å; P96-I129 HydrophobicContact CG-CG1 4.02Å; P96-C173 HydrophobicContact CB-CB 4.22Å; P96-C173 HydrophobicContact CG-CB 4.14Å; P96-C173 WeakPolarHBondContact O-CA 3.33Å; P96-I174 PolarHBondContact O-N 2.97Å; P96-I215 CarbonylContact C-O 3.15Å; P96-I215 WeakPolarHBondContact CA-O 3.19Å
97I96.2Very high92.8Very high0 Ų047.4 Ų47.40%024%0.239CC..EExtended strand (participates in β ladder)trans-134.7142.9173.362.7176.9000110.8K95 V99 I174 H176 L201 W214 I215 A216 F217K95-I97 HydrophobicContact CG-CG2 4.43Å; I97-V99 HydrophobicContact CD1-CG2 3.8Å; I97-V99 HydrophobicContact CG1-CG2 3.9Å; I97-I174 WeakPolarHBondContact CA-O 3.46Å; I97-I174 HydrophobicContact CG2-CD1 4.34Å; I97-I174 HydrophobicContact CG2-CG1 3.76Å; I97-H176 HydrophobicContact CB-CB 4.26Å; I97-H176 HydrophobicContact CD1-CB 4.19Å; I97-L201 HydrophobicContact CD1-CD1 3.81Å; I97-L201 HydrophobicContact CD1-CD2 3.61Å; I97-L201 HydrophobicContact CD1-CG 4.34Å; I97-W214 HydrophobicContact CD1-CE3 4.07Å; I97-W214 HydrophobicContact CG2-CE3 3.71Å; I97-W214 HydrophobicContact CG2-CZ3 3.66Å; I97-I215 PolarHBondContact N-O 3.39Å; I97-A216 HydrophobicContact CD1-CB 4.02Å; I97-A216 HydrophobicContact CG1-CB 3.85Å; I97-F217 PolarHBondContact O-N 2.94Å
98Y97.9Very high93.6Very high0 Ų046.1 Ų46.10%023%0.232CC..EExtended strand (participates in β ladder)trans-101109.4170.1-174-113.7000108.5I100 G106 F108 K118 A121 I125 I174 C175 H176 F217 A219 T259 L262Y98-I100 HydrophobicContact CD1-CD1 4.12Å; Y98-I100 HydrophobicContact CD1-CG1 3.88Å; Y98-I100 HydrophobicContact CE1-CD1 4.27Å; Y98-I100 HydrophobicContact CE1-CG1 3.96Å; Y98-G106 WeakPolarHBondContact CE1-O 3.37Å; Y98-G106 PolarHBondContact OH-O 2.95Å; Y98-F108 PolarHBondContact OH-N 2.74Å; Y98-K118 HydrophobicContact CD1-CB 4.14Å; Y98-K118 HydrophobicContact CE1-CB 3.95Å; Y98-A121 HydrophobicContact CD1-CB 4.15Å; Y98-A121 HydrophobicContact CD2-CB 3.77Å; Y98-A121 HydrophobicContact CE1-CB 3.93Å; Y98-A121 HydrophobicContact CE2-CB 3.5Å; Y98-A121 VanDerWaalsContact CE2-CB 3.5Å; Y98-A121 HydrophobicContact CG-CB 4.07Å; Y98-I125 HydrophobicContact CD2-CD1 3.68Å; Y98-I125 HydrophobicContact CG-CD1 4.33Å; Y98-I174 PolarHBondContact N-O 3.49Å; Y98-C175 CarbonylContact O-C 3.54Å; Y98-C175 WeakPolarHBondContact O-CA 3.3Å; Y98-H176 PolarHBondContact O-N 2.93Å; Y98-F217 HydrophobicContact CD2-CB 4.22Å; Y98-A219 HydrophobicContact CD1-CB 4.45Å; Y98-A219 HydrophobicContact CE1-CB 3.64Å; Y98-A219 HydrophobicContact CE2-CB 3.9Å; Y98-A219 WeakPolarHBondContact OH-CA 3.13Å; Y98-A219 VanDerWaalsContact OH-CB 3.23Å; Y98-A219 WeakPolarHBondContact OH-CB 3.35Å; Y98-T259 HydrophobicContact CD2-CG2 4.41Å; Y98-T259 HydrophobicContact CE2-CG2 3.83Å; Y98-L262 HydrophobicContact CE2-CD2 4.35Å
99V98.5Very high94.8Very high0 Ų039.5 Ų39.50%021%0.208CC..EExtended strand (participates in β ladder)trans-90118.8-171-179.40000110I97 H176 L197 A216 F217 M218 A219I97-V99 HydrophobicContact CD1-CG2 3.8Å; I97-V99 HydrophobicContact CG1-CG2 3.9Å; V99-H176 WeakPolarHBondContact CA-O 3.35Å; V99-L197 HydrophobicContact CG1-CD1 4.18Å; V99-L197 HydrophobicContact CG2-CD1 4.39Å; V99-L197 HydrophobicContact CG2-CD2 4.12Å; V99-A216 HydrophobicContact CG2-CB 3.84Å; V99-F217 PolarHBondContact N-O 3.1Å; V99-M218 HydrophobicContact CB-CE 4.42Å; V99-M218 HydrophobicContact CB-SD 3.65Å; V99-M218 HydrophobicContact CG1-CE 3.91Å; V99-M218 HydrophobicContact CG1-SD 3.69Å; V99-M218 HydrophobicContact CG2-SD 4.14Å; V99-A219 WeakPolarHBondContact O-CB 3.46Å; V99-A219 PolarHBondContact O-N 2.74Å
100I98.6Very high95.7Very high3 Ų333.6 Ų33.62%0.01518%0.181CC..EExtended strand (participates in β ladder)trans-109.2115.8179.7-56.1172.4000107.4Y98 D104 K118 C175 H176 Y177 S178 A219Y98-I100 HydrophobicContact CD1-CD1 4.12Å; Y98-I100 HydrophobicContact CD1-CG1 3.88Å; Y98-I100 HydrophobicContact CE1-CD1 4.27Å; Y98-I100 HydrophobicContact CE1-CG1 3.96Å; I100-D104 HydrophobicContact CG2-CB 4.13Å; I100-K118 HydrophobicContact CD1-CB 4.2Å; I100-K118 HydrophobicContact CD1-CD 4.14Å; I100-C175 HydrophobicContact CD1-CB 4.12Å; I100-H176 PolarHBondContact N-O 2.8Å; I100-Y177 HydrophobicContact CB-CD1 4.12Å; I100-Y177 HydrophobicContact CB-CE1 4.47Å; I100-Y177 HydrophobicContact CD1-CD1 4.23Å; I100-Y177 HydrophobicContact CD1-CE1 3.77Å; I100-Y177 HydrophobicContact CG2-CD1 4.25Å; I100-Y177 HydrophobicContact CG2-CE1 4.47Å; I100-S178 PolarHBondContact O-N 2.74Å; I100-A219 HydrophobicContact CG1-CB 4.25Å
101C98.5Very high96Very high3 Ų333.6 Ų33.62%0.0218%0.18CC..  trans-63.1157.7176-670000111.1D103 D104 L180 K182 C220C101-D103 PolarHBondContact O-N 2.78Å; C101-D103 VanDerWaalsContact O-N 3.12Å; C101-D104 HydrophobicContact CB-CB 3.96Å; C101-D104 PolarHBondContact O-N 3.48Å; C101-L180 CarbonylContact C-O 3.51Å; C101-L180 VanDerWaalsContact CA-O 3.24Å; C101-L180 WeakPolarHBondContact CA-O 3.14Å; C101-L180 WeakPolarHBondContact CB-O 3.22Å; C101-K182 HydrophobicContact CB-CG 4.09Å; C101-C220 VanDerWaalsContact SG-SG 3.61Å
102S98Very high95.9Very high81 Ų8140 Ų4057%0.56620%0.204SC*.THydrogen-bonded Turntrans-60.4-24.3-175.753.20000114.2S178 S179 L180S102-S178 WeakPolarHBondContact CB-O 3.45Å; S102-S178 PolarHBondContact N-O 3.39Å; S102-S179 PolarHBondContact OG-O 3.21Å; S102-L180 PolarHBondContact N-O 3.31Å; S102-L180 PolarHBondContact OG-O 3.19Å
103D97.5Very high95.7Very high67 Ų6740.3 Ų40.336%0.35823%0.23SC..THydrogen-bonded Turntrans-112.819.4178.865.2-32.2000113C101 S181 K182C101-D103 PolarHBondContact O-N 2.78Å; C101-D103 VanDerWaalsContact O-N 3.12Å; D103-S181 VanDerWaalsContact OD1-CA 3.23Å; D103-S181 WeakPolarHBondContact OD1-CA 3.38Å; D103-K182 VanDerWaalsContact O-CE 3.24Å; D103-K182 WeakPolarHBondContact O-CE 3.41Å; D103-K182 PolarHBondContact O-NZ 3.38Å; D103-K182 WeakPolarHBondContact OD1-CG 3.38Å; D103-K182 PolarHBondContact OD1-N 2.92Å; D103-K182 VanDerWaalsContact OD2-CE 3.22Å; D103-K182 WeakPolarHBondContact OD2-CE 3.34Å; D103-K182 PolarHBondContact OD2-N 3.06Å
104D96.3Very high95.8Very high22 Ų2242 Ų4212%0.11824%0.238CC..  trans-109.1149.4178.6-158.1-65.3000112.1I100 C101 G106 K182 C220I100-D104 HydrophobicContact CG2-CB 4.13Å; C101-D104 HydrophobicContact CB-CB 3.96Å; C101-D104 PolarHBondContact O-N 3.48Å; D104-G106 VanDerWaalsContact C-N 3.31Å; D104-G106 PolarHBondContact OD1-N 2.61Å; D104-K182 HydrophobicContact CB-CD 4.07Å; D104-K182 HydrophobicContact CB-CG 4.26Å; D104-K182 VanDerWaalsContact OD2-CD 3.32Å; D104-K182 WeakPolarHBondContact OD2-CD 3.39Å; D104-C220 WeakPolarHBondContact OD2-CA 3.14Å; D104-C220 VanDerWaalsContact OD2-CB 3.26Å; D104-C220 WeakPolarHBondContact OD2-CB 3.32Å
105T94.6Very high95.6Very high103 Ų10346.6 Ų46.663%0.63227%0.266SS*.  trans-80.5-15.4176.959.30000112.7W107T105-W107 PolarHBondContact OG1-N 3.07Å
106G96.2Very high95.7Very high0 Ų046.1 Ų46.10%027%0.266CS..SBendtrans79.420.2-17300000113.4Y98 D104 K118Y98-G106 WeakPolarHBondContact CE1-O 3.37Å; Y98-G106 PolarHBondContact OH-O 2.95Å; D104-G106 VanDerWaalsContact C-N 3.31Å; D104-G106 PolarHBondContact OD1-N 2.61Å; G106-K118 WeakPolarHBondContact O-CB 3.46Å; G106-K118 PolarHBondContact O-N 3.48Å
107W97.3Very high95.7Very high140 Ų14047.7 Ų47.753%0.5328%0.276SS..PPolyproline II helixtrans-93.4133.9173.6-69.114.4000109.3T105 P116 R222T105-W107 PolarHBondContact OG1-N 3.07Å; W107-P116 WeakPolarHBondContact CA-O 3.1Å; W107-P116 HydrophobicContact CB-CG 4.34Å; W107-P116 HydrophobicContact CD2-CG 4.41Å; W107-P116 HydrophobicContact CE3-CG 4.11Å; W107-R222 PolarHBondContact O-NH1 2.77Å; W107-R222 PolarHBondContact O-NH2 3.05Å
108F97.2Very high95.6Very high5 Ų550.6 Ų50.62%0.02229%0.288CS..PPolyproline II helixtrans-84.3168.6171.563.2-84.8000110.9Y98 A110 M114 P116 A121 L262 H263Y98-F108 PolarHBondContact OH-N 2.74Å; F108-A110 HydrophobicContact CD2-CB 4.24Å; F108-A110 HydrophobicContact CE2-CB 3.88Å; F108-M114 HydrophobicContact CE2-SD 4.42Å; F108-P116 HydrophobicContact CD1-CB 4Å; F108-P116 VanDerWaalsContact CD1-O 3.22Å; F108-P116 WeakPolarHBondContact CD1-O 3.26Å; F108-P116 HydrophobicContact CD2-CB 4.16Å; F108-P116 HydrophobicContact CE1-CB 3.93Å; F108-P116 HydrophobicContact CE2-CB 4.06Å; F108-P116 HydrophobicContact CG-CB 4.13Å; F108-P116 HydrophobicContact CZ-CB 3.96Å; F108-P116 PolarHBondContact N-O 2.77Å; F108-P116 VanDerWaalsContact N-O 3.12Å; F108-P116 VanDerWaalsContact O-CB 3.24Å; F108-P116 WeakPolarHBondContact O-CB 3.5Å; F108-A121 HydrophobicContact CD1-CB 3.79Å; F108-A121 HydrophobicContact CE1-CB 4.04Å; F108-L262 HydrophobicContact CB-CD2 4.38Å; F108-L262 HydrophobicContact CD1-CD2 4.19Å; F108-L262 HydrophobicContact CD2-CB 4.3Å; F108-L262 HydrophobicContact CD2-CD2 4.44Å; F108-L262 HydrophobicContact CD2-CG 4.49Å; F108-L262 HydrophobicContact CG-CD2 4.1Å; F108-H263 HydrophobicContact CD2-CB 4.44Å; F108-H263 HydrophobicContact CE2-CB 3.98Å
109Q96.6Very high95.4Very high36 Ų3655.6 Ų55.617%0.16831%0.312CS..PPolyproline II helixtrans-81.8128.6175.5-168.6176.417.400110.5Y223 T285 L286Q109-Y223 PolarHBondContact NE2-O 3.16Å; Q109-T285 PolarHBondContact NE2-O 3.05Å; Q109-L286 HydrophobicContact CG-CD2 3.8Å
110A95.6Very high95.2Very high24 Ų2455.8 Ų55.820%0.19831%0.313CS..  trans-144.6159.7-175.300000111.3F108 M114 P116 H263F108-A110 HydrophobicContact CD2-CB 4.24Å; F108-A110 HydrophobicContact CE2-CB 3.88Å; A110-M114 HydrophobicContact CB-CB 4.06Å; A110-M114 HydrophobicContact CB-CG 4.04Å; A110-M114 HydrophobicContact CB-SD 3.94Å; A110-P116 HydrophobicContact CB-CB 3.67Å; A110-P116 HydrophobicContact CB-CG 4.43Å; A110-H263 HydrophobicContact CB-CB 4.11Å
111P93.2Very high95.1Very high25 Ų2555.6 Ų55.616%0.16231%0.312CS..  trans-66163.317527.3-33.7000111.9G113 M114 L286P111-G113 PolarHBondContact O-N 2.76Å; P111-M114 HydrophobicContact CG-CB 4.18Å; P111-M114 HydrophobicContact CG-CE 4.43Å; P111-M114 PolarHBondContact O-N 2.79Å; P111-L286 HydrophobicContact CB-CD1 3.97Å; P111-L286 HydrophobicContact CG-CD1 4.23Å
112E89.3Confident95Very high200 Ų20056.4 Ų56.494%0.93532%0.317SS*.THydrogen-bonded Turntrans-55.9138174-168.8174.5-173.100111.4M114E112-M114 VanDerWaalsContact C-N 3.29Å; E112-M114 PolarHBondContact O-N 2.89Å
113G90.3Very high94.8Very high82 Ų8256.9 Ų56.985%0.84531%0.309SS*.THydrogen-bonded Turntrans83.5-10.3-178.500000115.4P111P111-G113 PolarHBondContact O-N 2.76Å
114M93.5Very high94.7Very high60 Ų6054.4 Ų54.430%0.29630%0.295SS..  trans-87.7139170.8-176.9170.9-72.900110.5F108 A110 P111 E112 P116 H263F108-M114 HydrophobicContact CE2-SD 4.42Å; A110-M114 HydrophobicContact CB-CB 4.06Å; A110-M114 HydrophobicContact CB-CG 4.04Å; A110-M114 HydrophobicContact CB-SD 3.94Å; P111-M114 HydrophobicContact CG-CB 4.18Å; P111-M114 HydrophobicContact CG-CE 4.43Å; P111-M114 PolarHBondContact O-N 2.79Å; E112-M114 VanDerWaalsContact C-N 3.29Å; E112-M114 PolarHBondContact O-N 2.89Å; M114-P116 VanDerWaalsContact O-CD 3.27Å; M114-P116 WeakPolarHBondContact O-CD 3.16Å; M114-H263 WeakPolarHBondContact CE-O 3.29Å; M114-H263 HydrophobicContact SD-CB 3.94Å
115V92Very high94.7Very high96 Ų9653.4 Ų53.458%0.58229%0.289SS*.  trans-89.5107.4176.8177.90000109.1T117V115-T117 VanDerWaalsContact C-N 3.33Å; V115-T117 HydrophobicContact CG1-CG2 3.55Å; V115-T117 PolarHBondContact O-N 3.26Å
116P95.3Very high94.7Very high21 Ų2148.5 Ų48.514%0.13626%0.259CS..  trans-98.440.2-168.139.4-34.3000112.9W107 F108 A110 M114W107-P116 WeakPolarHBondContact CA-O 3.1Å; W107-P116 HydrophobicContact CB-CG 4.34Å; W107-P116 HydrophobicContact CD2-CG 4.41Å; W107-P116 HydrophobicContact CE3-CG 4.11Å; F108-P116 HydrophobicContact CD1-CB 4Å; F108-P116 VanDerWaalsContact CD1-O 3.22Å; F108-P116 WeakPolarHBondContact CD1-O 3.26Å; F108-P116 HydrophobicContact CD2-CB 4.16Å; F108-P116 HydrophobicContact CE1-CB 3.93Å; F108-P116 HydrophobicContact CE2-CB 4.06Å; F108-P116 HydrophobicContact CG-CB 4.13Å; F108-P116 HydrophobicContact CZ-CB 3.96Å; F108-P116 PolarHBondContact N-O 2.77Å; F108-P116 VanDerWaalsContact N-O 3.12Å; F108-P116 VanDerWaalsContact O-CB 3.24Å; F108-P116 WeakPolarHBondContact O-CB 3.5Å; A110-P116 HydrophobicContact CB-CB 3.67Å; A110-P116 HydrophobicContact CB-CG 4.43Å; M114-P116 VanDerWaalsContact O-CD 3.27Å; M114-P116 WeakPolarHBondContact O-CD 3.16Å
117T96.4Very high94.7Very high33 Ų3348.5 Ų48.520%0.20226%0.259CS..  trans-70.9162.9-173.157.80000112V115 E119 S120 A121V115-T117 VanDerWaalsContact C-N 3.33Å; V115-T117 HydrophobicContact CG1-CG2 3.55Å; V115-T117 PolarHBondContact O-N 3.26Å; T117-E119 WeakPolarHBondContact CB-OE2 3.15Å; T117-E119 PolarHBondContact O-N 3.01Å; T117-E119 PolarHBondContact OG1-OE2 2.89Å; T117-S120 WeakPolarHBondContact O-CB 3.07Å; T117-S120 PolarHBondContact O-N 3.14Å; T117-S120 VanDerWaalsContact O-N 3.15Å; T117-S120 PolarHBondContact OG1-N 3.03Å; T117-A121 PolarHBondContact O-N 3.34Å
118K95.2Very high94.6Very high61 Ų6141.9 Ų41.927%0.26524%0.235SC..Hα-helixtrans-59.7-32.5173.366.2-170.7178.1-170.10112.3Y98 I100 G106 A121 C122 Y177Y98-K118 HydrophobicContact CD1-CB 4.14Å; Y98-K118 HydrophobicContact CE1-CB 3.95Å; I100-K118 HydrophobicContact CD1-CB 4.2Å; I100-K118 HydrophobicContact CD1-CD 4.14Å; G106-K118 WeakPolarHBondContact O-CB 3.46Å; G106-K118 PolarHBondContact O-N 3.48Å; K118-A121 PolarHBondContact O-N 3.47Å; K118-C122 WeakPolarHBondContact O-CB 3.37Å; K118-C122 PolarHBondContact O-N 3.31Å; K118-C122 PolarHBondContact O-SG 3.42Å; K118-C122 VanDerWaalsContact O-SG 3.41Å; K118-Y177 PolarHBondContact NZ-OH 3.42Å; K118-Y177 VanDerWaalsContact NZ-OH 3.09Å
119E93.5Very high94.6Very high105 Ų10541.6 Ų41.649%0.49123%0.234SC..Hα-helixtrans-65.3-45.7174.8-64.672-154.200111.1T117 A121 C122 K123T117-E119 WeakPolarHBondContact CB-OE2 3.15Å; T117-E119 PolarHBondContact O-N 3.01Å; T117-E119 PolarHBondContact OG1-OE2 2.89Å; E119-A121 VanDerWaalsContact C-N 3.34Å; E119-C122 PolarHBondContact O-N 3.45Å; E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.22Å
120S94.6Very high94.5Very high4 Ų440 Ų403%0.02823%0.226CC..Hα-helixtrans-61.4-43.3174.2175.50000111.1T117 C122 K123 R124 E267T117-S120 WeakPolarHBondContact O-CB 3.07Å; T117-S120 PolarHBondContact O-N 3.14Å; T117-S120 VanDerWaalsContact O-N 3.15Å; T117-S120 PolarHBondContact OG1-N 3.03Å; S120-C122 PolarHBondContact O-N 2.78Å; S120-K123 PolarHBondContact O-N 3.42Å; S120-R124 VanDerWaalsContact O-CG 3.29Å; S120-R124 WeakPolarHBondContact O-CG 3.4Å; S120-R124 PolarHBondContact O-N 3.35Å; S120-R124 PolarHBondContact OG-NE 2.87Å; S120-E267 WeakPolarHBondContact CB-OE1 3.47Å; S120-E267 VanDerWaalsContact OG-CD 3.26Å; S120-E267 PolarHBondContact OG-OE1 3.4Å
121A96.7Very high94.5Very high0 Ų038.8 Ų38.80%022%0.216CC..Hα-helixtrans-58.9-49176.500000112.2Y98 F108 T117 K118 E119 K123 R124 I125 L262Y98-A121 HydrophobicContact CD1-CB 4.15Å; Y98-A121 HydrophobicContact CD2-CB 3.77Å; Y98-A121 HydrophobicContact CE1-CB 3.93Å; Y98-A121 HydrophobicContact CE2-CB 3.5Å; Y98-A121 VanDerWaalsContact CE2-CB 3.5Å; Y98-A121 HydrophobicContact CG-CB 4.07Å; F108-A121 HydrophobicContact CD1-CB 3.79Å; F108-A121 HydrophobicContact CE1-CB 4.04Å; T117-A121 PolarHBondContact O-N 3.34Å; K118-A121 PolarHBondContact O-N 3.47Å; E119-A121 VanDerWaalsContact C-N 3.34Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 2.6Å; A121-R124 PolarHBondContact O-N 3.29Å; A121-I125 WeakPolarHBondContact O-CB 3.43Å; A121-I125 WeakPolarHBondContact O-CD1 3.41Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.4Å; A121-I125 PolarHBondContact O-N 2.84Å; A121-L262 HydrophobicContact CB-CD2 3.77Å
122C95.1Very high94.7Very high19 Ų1937.6 Ų37.613%0.12821%0.208CC..Hα-helixtrans-60.5-40.8178.6-77.80000112.3K118 E119 S120 G126 C173K118-C122 WeakPolarHBondContact O-CB 3.37Å; K118-C122 PolarHBondContact O-N 3.31Å; K118-C122 PolarHBondContact O-SG 3.42Å; K118-C122 VanDerWaalsContact O-SG 3.41Å; E119-C122 PolarHBondContact O-N 3.45Å; S120-C122 PolarHBondContact O-N 2.78Å; C122-G126 PolarHBondContact O-N 3.29Å; C122-C173 HydrophobicContact CB-CB 4.08Å; C122-C173 WeakPolarHBondContact O-CB 3.48Å; C122-C173 PolarHBondContact SG-O 2.98Å; C122-C173 VanDerWaalsContact SG-O 3.38Å
123K93.6Very high95Very high91 Ų9128.3 Ų28.340%0.39617%0.165SC..Hα-helixtrans-61.7-50.4175.7-74.8-178.3177.2-170.90112.1E119 S120 A121 I125 G126 L127 E267E119-K123 WeakPolarHBondContact O-CG 3.42Å; E119-K123 PolarHBondContact O-N 3.22Å; S120-K123 PolarHBondContact O-N 3.42Å; A121-K123 VanDerWaalsContact C-N 3.33Å; A121-K123 PolarHBondContact O-N 2.6Å; K123-I125 PolarHBondContact O-N 2.85Å; K123-G126 PolarHBondContact O-N 2.98Å; K123-L127 PolarHBondContact O-N 3.35Å; K123-E267 HydrophobicContact CB-CB 4.45Å
124R96.1Very high95.2Very high16 Ų1624.4 Ų24.46%0.0613%0.125CC..Hα-helixtrans-59.9-47.9179.3-68.4168-170.6-99.6-5.4112.2S120 A121 G126 G128 L262 H263 W265 P266 E267S120-R124 VanDerWaalsContact O-CG 3.29Å; S120-R124 WeakPolarHBondContact O-CG 3.4Å; S120-R124 PolarHBondContact O-N 3.35Å; S120-R124 PolarHBondContact OG-NE 2.87Å; A121-R124 PolarHBondContact O-N 3.29Å; R124-G126 VanDerWaalsContact C-N 3.34Å; R124-G128 PolarHBondContact O-N 2.78Å; R124-L262 HydrophobicContact CB-CD1 3.67Å; R124-L262 HydrophobicContact CB-CG 4.33Å; R124-L262 WeakPolarHBondContact CD-O 3.46Å; R124-H263 PolarHBondContact NH1-O 3.49Å; R124-H263 VanDerWaalsContact NH1-O 3.16Å; R124-W265 HydrophobicContact CB-CB 4.07Å; R124-W265 HydrophobicContact CG-CB 4.35Å; R124-W265 PolarHBondContact NH1-O 2.88Å; R124-P266 WeakPolarHBondContact CA-O 3.03Å; R124-P266 WeakPolarHBondContact CG-O 3.26Å; R124-E267 HydrophobicContact CG-CB 4.48Å; R124-E267 HydrophobicContact CG-CG 3.68Å; R124-E267 IonicContact CZ-OE1 3.45Å; R124-E267 IonicContact NE-OE1 2.81Å; R124-E267 PolarHBondContact NE-OE1 2.84Å; R124-E267 IonicContact NH2-OE1 3.56Å; R124-E267 PolarHBondContact NH2-OE1 3.19Å
125I97.1Very high95.3Very high0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-61.6-47.1176.6-68.6163.2000109.6P96 Y98 A121 K123 L127 G128 I129 C173 F217 L262P96-I125 HydrophobicContact CB-CG2 3.62Å; Y98-I125 HydrophobicContact CD2-CD1 3.68Å; Y98-I125 HydrophobicContact CG-CD1 4.33Å; A121-I125 WeakPolarHBondContact O-CB 3.43Å; A121-I125 WeakPolarHBondContact O-CD1 3.41Å; A121-I125 VanDerWaalsContact O-CG1 3.26Å; A121-I125 WeakPolarHBondContact O-CG1 3.4Å; A121-I125 PolarHBondContact O-N 2.84Å; K123-I125 PolarHBondContact O-N 2.85Å; I125-L127 PolarHBondContact O-N 3.28Å; I125-G128 PolarHBondContact O-N 3.24Å; I125-I129 HydrophobicContact CG2-CG1 4.25Å; I125-I129 WeakPolarHBondContact O-CG1 3.19Å; I125-I129 PolarHBondContact O-N 2.92Å; I125-C173 HydrophobicContact CB-CB 4.27Å; I125-C173 HydrophobicContact CG2-CB 4.07Å; I125-F217 HydrophobicContact CB-CD2 4.47Å; I125-F217 HydrophobicContact CB-CE2 4.38Å; I125-F217 HydrophobicContact CD1-CB 3.62Å; I125-F217 HydrophobicContact CD1-CD1 4.22Å; I125-F217 HydrophobicContact CD1-CD2 3.71Å; I125-F217 HydrophobicContact CD1-CE2 4.39Å; I125-F217 HydrophobicContact CD1-CG 3.59Å; I125-F217 HydrophobicContact CG1-CB 4.47Å; I125-F217 HydrophobicContact CG1-CD1 4.19Å; I125-F217 HydrophobicContact CG1-CD2 3.9Å; I125-F217 HydrophobicContact CG1-CE1 4.36Å; I125-F217 HydrophobicContact CG1-CE2 4.09Å; I125-F217 HydrophobicContact CG1-CG 3.94Å; I125-F217 HydrophobicContact CG1-CZ 4.3Å; I125-F217 HydrophobicContact CG2-CD2 3.7Å; I125-F217 HydrophobicContact CG2-CE2 3.43Å; I125-F217 VanDerWaalsContact CG2-CE2 3.43Å; I125-F217 HydrophobicContact CG2-CZ 4.11Å; I125-L262 HydrophobicContact CD1-CD2 4.31Å; I125-L262 HydrophobicContact CG1-CD1 3.9Å; I125-L262 HydrophobicContact CG1-CD2 4.38Å
126G94.7Very high95.4Very high0 Ų017 Ų170%08%0.083CC..Hα-helixtrans-53.7-57.4179.400000111.7C122 K123 R124 G128 I129 R130 A171C122-G126 PolarHBondContact O-N 3.29Å; K123-G126 PolarHBondContact O-N 2.98Å; R124-G126 VanDerWaalsContact C-N 3.34Å; G126-G128 VanDerWaalsContact C-N 3.31Å; G126-G128 PolarHBondContact O-N 3.34Å; G126-I129 PolarHBondContact O-N 3.38Å; G126-R130 WeakPolarHBondContact O-CG 3.44Å; G126-R130 PolarHBondContact O-N 3.08Å; G126-A171 WeakPolarHBondContact CA-O 3.34Å; G126-A171 VanDerWaalsContact O-CB 3.3Å; G126-A171 WeakPolarHBondContact O-CB 3.45Å
127L94.9Very high95.3Very high0 Ų016 Ų160%08%0.076CC..Hα-helixtrans-59.7-41.9178178.857.9000112.1L17 K123 I125 I129 R130 L131 S169 P266 N268L17-L127 HydrophobicContact CD2-CD1 4.3Å; K123-L127 PolarHBondContact O-N 3.35Å; I125-L127 PolarHBondContact O-N 3.28Å; L127-I129 PolarHBondContact O-N 3.31Å; L127-R130 WeakPolarHBondContact O-CB 3.47Å; L127-R130 PolarHBondContact O-N 3.34Å; L127-R130 VanDerWaalsContact O-N 3.14Å; L127-L131 HydrophobicContact CD1-CG 4.28Å; L127-L131 HydrophobicContact CG-CD1 4.29Å; L127-L131 HydrophobicContact CG-CG 4.48Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.41Å; L127-S169 PolarHBondContact N-O 3.31Å; L127-P266 HydrophobicContact CD2-CB 3.95Å; L127-P266 HydrophobicContact CD2-CG 3.73Å; L127-P266 HydrophobicContact CG-CG 4.48Å; L127-N268 WeakPolarHBondContact CD2-O 3.16Å
128G96.7Very high95.1Very high1 Ų114.6 Ų14.61%0.017%0.068CC..Hα-helixtrans-54.9-48.2174.900000112.5R124 I125 G126 R130 L131 L132R124-G128 PolarHBondContact O-N 2.78Å; I125-G128 PolarHBondContact O-N 3.24Å; G126-G128 VanDerWaalsContact C-N 3.31Å; G126-G128 PolarHBondContact O-N 3.34Å; G128-R130 VanDerWaalsContact C-N 3.34Å; G128-R130 PolarHBondContact O-N 2.78Å; G128-L131 WeakPolarHBondContact O-CB 3.37Å; G128-L131 PolarHBondContact O-N 3.27Å; G128-L132 WeakPolarHBondContact O-CG 3.42Å; G128-L132 PolarHBondContact O-N 3.06Å
129I96.5Very high94.9Very high0 Ų011.8 Ų11.80%06%0.056CC..Hα-helixtrans-67-34.9178.1-57.8-44.4000111.7P96 I125 G126 L127 L132 Q133 F150 I152 I215 V307P96-I129 HydrophobicContact CB-CG1 3.87Å; P96-I129 HydrophobicContact CG-CB 4.45Å; P96-I129 HydrophobicContact CG-CG1 4.02Å; I125-I129 HydrophobicContact CG2-CG1 4.25Å; I125-I129 WeakPolarHBondContact O-CG1 3.19Å; I125-I129 PolarHBondContact O-N 2.92Å; G126-I129 PolarHBondContact O-N 3.38Å; L127-I129 PolarHBondContact O-N 3.31Å; I129-L132 HydrophobicContact CD1-CD1 4.29Å; I129-L132 PolarHBondContact O-N 2.91Å; I129-Q133 PolarHBondContact O-N 3.35Å; I129-F150 HydrophobicContact CG2-CE2 3.87Å; I129-F150 HydrophobicContact CG2-CZ 4.2Å; I129-I152 HydrophobicContact CB-CD1 4.43Å; I129-I152 HydrophobicContact CG2-CD1 3.64Å; I129-I152 HydrophobicContact CG2-CG1 3.95Å; I129-I215 HydrophobicContact CD1-CD1 3.66Å; I129-I215 HydrophobicContact CD1-CG2 4.45Å; I129-I215 HydrophobicContact CG1-CD1 4.28Å; I129-I215 HydrophobicContact CG2-CD1 4.44Å; I129-V307 HydrophobicContact CD1-CG1 3.62Å
130R94.2Very high94.7Very high1 Ų16.8 Ų6.80%0.0043%0.033CC..Hα-helixtrans-61.6-45172.3-69.2-65.3-175.3-178.412.1111.9P16 L17 G126 L127 G128 L132 Q133 T134 I152 E154 A171P16-R130 VanDerWaalsContact CG-NH1 3.29Å; L17-R130 HydrophobicContact CD2-CB 4.1Å; G126-R130 WeakPolarHBondContact O-CG 3.44Å; G126-R130 PolarHBondContact O-N 3.08Å; L127-R130 WeakPolarHBondContact O-CB 3.47Å; L127-R130 PolarHBondContact O-N 3.34Å; L127-R130 VanDerWaalsContact O-N 3.14Å; G128-R130 VanDerWaalsContact C-N 3.34Å; G128-R130 PolarHBondContact O-N 2.78Å; R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 2.71Å; R130-Q133 VanDerWaalsContact O-CB 3.3Å; R130-Q133 WeakPolarHBondContact O-CB 3.43Å; R130-Q133 PolarHBondContact O-N 3.12Å; R130-Q133 VanDerWaalsContact O-N 3.13Å; R130-T134 PolarHBondContact O-N 3.4Å; R130-T134 PolarHBondContact O-OG1 3.13Å; R130-T134 VanDerWaalsContact O-OG1 3.12Å; R130-I152 HydrophobicContact CG-CD1 4.45Å; R130-E154 IonicContact CZ-OE1 3.53Å; R130-E154 VanDerWaalsContact CZ-OE1 3.27Å; R130-E154 IonicContact NH1-OE1 3.05Å; R130-E154 PolarHBondContact NH1-OE1 3.02Å; R130-E154 IonicContact NH2-OE1 2.8Å; R130-E154 PolarHBondContact NH2-OE1 3.07Å; R130-A171 HydrophobicContact CG-CB 3.72Å
131L96Very high94.5Very high0 Ų08.8 Ų8.80%04%0.043CC..Hα-helixtrans-59.2-43.3174.9-67.4169.9000110.9L17 F59 L127 G128 Q133 T134 L135 L272 F300 L304 L335L17-L131 HydrophobicContact CD2-CD2 3.77Å; L17-L131 HydrophobicContact CD2-CG 4.35Å; F59-L131 HydrophobicContact CD1-CD2 3.88Å; F59-L131 HydrophobicContact CE1-CD2 3.62Å; F59-L131 HydrophobicContact CE2-CD2 4.29Å; F59-L131 HydrophobicContact CG-CD2 4.31Å; F59-L131 HydrophobicContact CZ-CD2 3.85Å; L127-L131 HydrophobicContact CD1-CG 4.28Å; L127-L131 HydrophobicContact CG-CD1 4.29Å; L127-L131 HydrophobicContact CG-CG 4.48Å; L127-L131 WeakPolarHBondContact O-CG 3.35Å; L127-L131 PolarHBondContact O-N 3.41Å; G128-L131 WeakPolarHBondContact O-CB 3.37Å; G128-L131 PolarHBondContact O-N 3.27Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 2.88Å; L131-T134 WeakPolarHBondContact O-CB 3.47Å; L131-T134 PolarHBondContact O-N 3.45Å; L131-L135 WeakPolarHBondContact O-CB 3.3Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.14Å; L131-L272 HydrophobicContact CD1-CD1 4.06Å; L131-L272 HydrophobicContact CD2-CD2 3.93Å; L131-F300 HydrophobicContact CD1-CZ 3.96Å; L131-L304 HydrophobicContact CB-CD2 4.43Å; L131-L335 HydrophobicContact CB-CD2 4.1Å; L131-L335 HydrophobicContact CD1-CD2 4.32Å; L131-L335 HydrophobicContact CD2-CD2 4.11Å; L131-L335 HydrophobicContact CG-CD2 4.41Å
132L96.4Very high93.9Very high0 Ų010.3 Ų10.30%05%0.053CC..Hα-helixtrans-65.2-33.8176.1-67.1-176.5000113.3G128 I129 R130 L135 T136 F150 L304 V307 W308 I331G128-L132 WeakPolarHBondContact O-CG 3.42Å; G128-L132 PolarHBondContact O-N 3.06Å; I129-L132 HydrophobicContact CD1-CD1 4.29Å; I129-L132 PolarHBondContact O-N 2.91Å; R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 2.71Å; L132-L135 HydrophobicContact CD2-CD1 4.49Å; L132-L135 PolarHBondContact O-N 2.99Å; L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.3Å; L132-T136 PolarHBondContact O-N 3.12Å; L132-T136 PolarHBondContact O-OG1 3.23Å; L132-F150 HydrophobicContact CB-CZ 4.26Å; L132-L304 HydrophobicContact CD1-CD1 4.04Å; L132-L304 HydrophobicContact CD1-CG 4.46Å; L132-L304 HydrophobicContact CD2-CD1 4.17Å; L132-L304 HydrophobicContact CD2-CD2 4.19Å; L132-L304 HydrophobicContact CD2-CG 3.82Å; L132-L304 HydrophobicContact CG-CD1 3.86Å; L132-L304 HydrophobicContact CG-CG 4.1Å; L132-V307 HydrophobicContact CD1-CB 3.83Å; L132-V307 HydrophobicContact CD1-CG1 3.63Å; L132-W308 HydrophobicContact CD1-CB 4.07Å; L132-W308 HydrophobicContact CD1-CG 4.49Å; L132-W308 HydrophobicContact CD2-CB 3.67Å; L132-W308 HydrophobicContact CD2-CD2 4.1Å; L132-W308 HydrophobicContact CD2-CG 3.65Å; L132-W308 HydrophobicContact CG-CB 4.48Å; L132-I331 HydrophobicContact CD2-CD1 3.54Å
133Q95.9Very high93.4Very high4 Ų410.8 Ų10.82%0.0195%0.054CC..Hα-helixtrans-60.8-47.5172.6-171.7-176.430.100110.4I129 R130 L131 T136 A137 T149 F150 I152I129-Q133 PolarHBondContact O-N 3.35Å; R130-Q133 VanDerWaalsContact O-CB 3.3Å; R130-Q133 WeakPolarHBondContact O-CB 3.43Å; R130-Q133 PolarHBondContact O-N 3.12Å; R130-Q133 VanDerWaalsContact O-N 3.13Å; L131-Q133 VanDerWaalsContact C-N 3.32Å; L131-Q133 PolarHBondContact O-N 2.88Å; Q133-T136 PolarHBondContact O-N 3.43Å; Q133-A137 PolarHBondContact O-N 2.84Å; Q133-A137 VanDerWaalsContact O-N 3.17Å; Q133-T149 HydrophobicContact CG-CG2 3.81Å; Q133-T149 WeakPolarHBondContact CG-OG1 3.48Å; Q133-T149 WeakPolarHBondContact O-CB 3.43Å; Q133-T149 PolarHBondContact O-OG1 3.4Å; Q133-F150 HydrophobicContact CB-CE1 4.42Å; Q133-F150 HydrophobicContact CB-CE2 3.95Å; Q133-F150 HydrophobicContact CB-CZ 3.84Å; Q133-F150 HydrophobicContact CG-CD2 4.5Å; Q133-F150 HydrophobicContact CG-CE2 4.3Å; Q133-F150 HydrophobicContact CG-CZ 4.49Å; Q133-F150 WeakPolarHBondContact CG-O 3.36Å; Q133-F150 PolarHBondContact NE2-O 3.05Å; Q133-I152 HydrophobicContact CB-CD1 4.02Å; Q133-I152 HydrophobicContact CG-CD1 4.38Å
134T95.4Very high93.1Very high0 Ų08.9 Ų8.90%05%0.048CC..Hα-helixtrans-62.1-49.5175.7-48.60000111.7Y15 L17 Q19 F59 R130 L131 T136 A137 E138Y15-T134 HydrophobicContact CE2-CG2 4.14Å; L17-T134 WeakPolarHBondContact O-CB 3.17Å; L17-T134 VanDerWaalsContact O-CG2 3.24Å; L17-T134 WeakPolarHBondContact O-CG2 3.13Å; L17-T134 PolarHBondContact O-OG1 2.83Å; Q19-T134 HydrophobicContact CB-CG2 3.59Å; F59-T134 HydrophobicContact CD1-CG2 4.3Å; F59-T134 HydrophobicContact CE1-CG2 3.86Å; R130-T134 PolarHBondContact O-N 3.4Å; R130-T134 PolarHBondContact O-OG1 3.13Å; R130-T134 VanDerWaalsContact O-OG1 3.12Å; L131-T134 WeakPolarHBondContact O-CB 3.47Å; L131-T134 PolarHBondContact O-N 3.45Å; T134-T136 VanDerWaalsContact C-N 3.27Å; T134-T136 PolarHBondContact O-N 2.89Å; T134-A137 WeakPolarHBondContact O-CB 3.4Å; T134-A137 PolarHBondContact O-N 2.9Å; T134-A137 VanDerWaalsContact O-N 3.13Å; T134-E138 HydrophobicContact CG2-CG 4.41Å; T134-E138 WeakPolarHBondContact O-CG 3.35Å; T134-E138 PolarHBondContact O-N 2.68Å
135L94.5Very high92.6Very high0 Ų010.9 Ų10.90%07%0.073CC..Hα-helixtrans-63.5-34.4-178.7-69.4-171000112.2L131 L132 A139 W308 I331 C334 L335 I387L131-L135 WeakPolarHBondContact O-CB 3.3Å; L131-L135 VanDerWaalsContact O-CG 3.3Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.14Å; L132-L135 HydrophobicContact CD2-CD1 4.49Å; L132-L135 PolarHBondContact O-N 2.99Å; L135-A139 VanDerWaalsContact O-CB 3.29Å; L135-A139 WeakPolarHBondContact O-CB 3.31Å; L135-A139 PolarHBondContact O-N 2.82Å; L135-W308 HydrophobicContact CB-CH2 4.21Å; L135-W308 HydrophobicContact CB-CZ2 4Å; L135-I331 HydrophobicContact CD1-CD1 3.69Å; L135-I331 HydrophobicContact CD1-CG1 3.58Å; L135-C334 HydrophobicContact CD1-CB 3.91Å; L135-C334 HydrophobicContact CD2-CB 3.79Å; L135-C334 HydrophobicContact CG-CB 4.48Å; L135-L335 HydrophobicContact CD1-CD2 3.7Å; L135-L335 HydrophobicContact CD1-CG 4.22Å; L135-L335 HydrophobicContact CD2-CD2 4.2Å; L135-L335 HydrophobicContact CG-CD2 4.09Å; L135-I387 HydrophobicContact CD2-CG2 4.09Å
136T95Very high92.2Very high0 Ų013.8 Ų13.80%09%0.088CC..Hα-helixtrans-63.2-47.9173.3-56.60000110.5L132 Q133 T134 E138 A139 F140 W308 I446L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.3Å; L132-T136 PolarHBondContact O-N 3.12Å; L132-T136 PolarHBondContact O-OG1 3.23Å; Q133-T136 PolarHBondContact O-N 3.43Å; T134-T136 VanDerWaalsContact C-N 3.27Å; T134-T136 PolarHBondContact O-N 2.89Å; T136-E138 PolarHBondContact O-N 2.89Å; T136-A139 WeakPolarHBondContact O-CB 3.49Å; T136-A139 PolarHBondContact O-N 2.86Å; T136-F140 HydrophobicContact CG2-CD2 4.12Å; T136-F140 HydrophobicContact CG2-CE2 4.09Å; T136-F140 WeakPolarHBondContact O-CD2 3.35Å; T136-F140 PolarHBondContact O-N 3.28Å; T136-F140 VanDerWaalsContact O-N 3.1Å; T136-W308 PolarHBondContact OG1-NE1 2.93Å; T136-I446 HydrophobicContact CG2-CD1 4.36Å
137A93.9Very high92.1Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-59.1-45.8176.700000112.6Y15 Q133 T134 A139 F140 L141 R148 T149Y15-A137 HydrophobicContact CD1-CB 3.87Å; Y15-A137 HydrophobicContact CE1-CB 3.34Å; Y15-A137 HydrophobicContact CE2-CB 4.32Å; Q133-A137 PolarHBondContact O-N 2.84Å; Q133-A137 VanDerWaalsContact O-N 3.17Å; T134-A137 WeakPolarHBondContact O-CB 3.4Å; T134-A137 PolarHBondContact O-N 2.9Å; T134-A137 VanDerWaalsContact O-N 3.13Å; A137-A139 VanDerWaalsContact C-N 3.32Å; A137-A139 PolarHBondContact O-N 2.68Å; A137-F140 PolarHBondContact O-N 3.17Å; A137-L141 PolarHBondContact O-N 3.46Å; A137-R148 WeakPolarHBondContact CA-O 3.29Å; A137-T149 HydrophobicContact CB-CG2 4.26Å
138E90.9Very high92Very high5 Ų517.1 Ų17.12%0.02310%0.1CC..Hα-helixtrans-70.2-29.2179.9-65.9-59.1123.900112.3N6 Y15 Q19 T134 T136 L141 S142 R147 I387N6-E138 PolarHBondContact ND2-OE2 3.33Å; Y15-E138 PolarHBondContact OH-OE1 2.93Å; Y15-E138 VanDerWaalsContact OH-OE1 3.07Å; Q19-E138 HydrophobicContact CB-CG 4.36Å; T134-E138 HydrophobicContact CG2-CG 4.41Å; T134-E138 WeakPolarHBondContact O-CG 3.35Å; T134-E138 PolarHBondContact O-N 2.68Å; T136-E138 PolarHBondContact O-N 2.89Å; E138-L141 PolarHBondContact O-N 3.48Å; E138-S142 WeakPolarHBondContact O-CB 3.19Å; E138-S142 PolarHBondContact O-N 2.81Å; E138-R147 IonicContact OE1-CZ 3.08Å; E138-R147 VanDerWaalsContact OE1-CZ 3.32Å; E138-R147 IonicContact OE1-NE 2.89Å; E138-R147 PolarHBondContact OE1-NE 3.43Å; E138-R147 IonicContact OE1-NH2 3.45Å; E138-R147 PolarHBondContact OE1-NH2 3.13Å; E138-R147 IonicContact OE2-NH2 2.75Å; E138-I387 HydrophobicContact CB-CG2 4.41Å
139A90.5Very high92Very high2 Ų217.1 Ų17.12%0.01710%0.1CC..Hα-helixtrans-63.8-47171.200000111.6L135 T136 A137 L141 S142 E143 W308 I387L135-A139 VanDerWaalsContact O-CB 3.29Å; L135-A139 WeakPolarHBondContact O-CB 3.31Å; L135-A139 PolarHBondContact O-N 2.82Å; T136-A139 WeakPolarHBondContact O-CB 3.49Å; T136-A139 PolarHBondContact O-N 2.86Å; A137-A139 VanDerWaalsContact C-N 3.32Å; A137-A139 PolarHBondContact O-N 2.68Å; A139-L141 VanDerWaalsContact C-N 3.32Å; A139-L141 PolarHBondContact O-N 3.23Å; A139-S142 PolarHBondContact O-N 3.1Å; A139-E143 WeakPolarHBondContact O-CB 3.32Å; A139-E143 WeakPolarHBondContact O-CG 3.47Å; A139-E143 PolarHBondContact O-N 2.96Å; A139-W308 HydrophobicContact CB-CH2 4.48Å; A139-W308 HydrophobicContact CB-CZ2 4.42Å; A139-I387 HydrophobicContact CB-CD1 3.52Å; A139-I387 HydrophobicContact CB-CG1 4.19Å
140F91Very high92Very high0 Ų017.1 Ų17.10%010%0.1CC..Hα-helixtrans-58.7-44.5175.3-91.3-83.2000111.3T136 A137 S142 L144 G145 I146 R148 L437 L440 L441 I446T136-F140 HydrophobicContact CG2-CD2 4.12Å; T136-F140 HydrophobicContact CG2-CE2 4.09Å; T136-F140 WeakPolarHBondContact O-CD2 3.35Å; T136-F140 PolarHBondContact O-N 3.28Å; T136-F140 VanDerWaalsContact O-N 3.1Å; A137-F140 PolarHBondContact O-N 3.17Å; F140-S142 VanDerWaalsContact C-N 3.34Å; F140-S142 PolarHBondContact O-N 3.05Å; F140-L144 HydrophobicContact CD1-CD1 3.93Å; F140-L144 HydrophobicContact CE1-CD1 4.04Å; F140-L144 CarbonylContact O-C 3.57Å; F140-L144 WeakPolarHBondContact O-CA 3.35Å; F140-L144 WeakPolarHBondContact O-CB 3.15Å; F140-L144 PolarHBondContact O-N 3.32Å; F140-G145 PolarHBondContact O-N 3.46Å; F140-I146 CarbonylContact C-O 3.52Å; F140-I146 WeakPolarHBondContact CB-O 3.34Å; F140-R148 HydrophobicContact CD1-CB 4.15Å; F140-R148 HydrophobicContact CD1-CG 4.42Å; F140-R148 HydrophobicContact CD2-CB 4.21Å; F140-R148 WeakPolarHBondContact CD2-O 3.46Å; F140-R148 HydrophobicContact CE1-CB 4.35Å; F140-R148 HydrophobicContact CE2-CB 4.4Å; F140-R148 HydrophobicContact CG-CB 4.1Å; F140-R148 HydrophobicContact CZ-CB 4.46Å; F140-L437 HydrophobicContact CD1-CB 4.44Å; F140-L437 HydrophobicContact CD1-CD2 4.22Å; F140-L437 HydrophobicContact CD2-CD2 3.71Å; F140-L437 HydrophobicContact CE1-CB 4.07Å; F140-L437 HydrophobicContact CE1-CD2 4.03Å; F140-L437 HydrophobicContact CE2-CD2 3.51Å; F140-L437 HydrophobicContact CG-CD2 4.05Å; F140-L437 HydrophobicContact CZ-CB 4.34Å; F140-L437 HydrophobicContact CZ-CD2 3.67Å; F140-L440 HydrophobicContact CE2-CB 4.4Å; F140-L440 HydrophobicContact CE2-CD1 4.34Å; F140-L440 HydrophobicContact CZ-CB 3.67Å; F140-L440 HydrophobicContact CZ-CD1 4.35Å; F140-L441 HydrophobicContact CD1-CD2 4.33Å; F140-L441 HydrophobicContact CE1-CD2 3.75Å; F140-L441 HydrophobicContact CE1-CG 4.32Å; F140-I446 HydrophobicContact CE1-CG2 4.38Å; F140-I446 HydrophobicContact CE2-CG2 3.67Å; F140-I446 HydrophobicContact CZ-CG2 3.55Å
141L88.8Confident91.9Very high45 Ų4517.7 Ų17.724%0.23610%0.103CC..Hα-helixtrans-61.2-47.7178.5177.372.4000110.8N6 A137 E138 A139 E143 G145 I146 R147N6-L141 HydrophobicContact CB-CD2 3.85Å; A137-L141 PolarHBondContact O-N 3.46Å; E138-L141 PolarHBondContact O-N 3.48Å; A139-L141 VanDerWaalsContact C-N 3.32Å; A139-L141 PolarHBondContact O-N 3.23Å; L141-E143 PolarHBondContact O-N 3.44Å; L141-G145 WeakPolarHBondContact O-CA 3.43Å; L141-G145 PolarHBondContact O-N 2.52Å; L141-I146 WeakPolarHBondContact CA-O 3.5Å; L141-I146 PolarHBondContact N-O 3.28Å; L141-R147 HydrophobicContact CB-CG 4.04Å; L141-R147 HydrophobicContact CD1-CG 4.42Å; L141-R147 VanDerWaalsContact CD2-NH2 3.31Å
142S84.7Confident91.6Very high33 Ų3317.7 Ų17.723%0.23110%0.103CC..Hα-helixtrans-66.8-38.1-172.5-157.10000112.2E138 A139 F140 R385E138-S142 WeakPolarHBondContact O-CB 3.19Å; E138-S142 PolarHBondContact O-N 2.81Å; A139-S142 PolarHBondContact O-N 3.1Å; F140-S142 VanDerWaalsContact C-N 3.34Å; F140-S142 PolarHBondContact O-N 3.05Å; S142-R385 WeakPolarHBondContact CB-O 3.34Å; S142-R385 WeakPolarHBondContact O-CB 3.35Å; S142-R385 PolarHBondContact OG-O 3.2Å
143E84.8Confident90.7Very high28 Ų2823 Ų2313%0.13113%0.127CC..Hα-helixtrans-95.1-36.5-174.7-68.1-108.1-168.600113.6A139 L141 M383 G433 T434 L437A139-E143 WeakPolarHBondContact O-CB 3.32Å; A139-E143 WeakPolarHBondContact O-CG 3.47Å; A139-E143 PolarHBondContact O-N 2.96Å; L141-E143 PolarHBondContact O-N 3.44Å; E143-M383 WeakPolarHBondContact OE1-CE 3.04Å; E143-G433 VanDerWaalsContact OE1-CA 3.29Å; E143-G433 WeakPolarHBondContact OE1-CA 3.4Å; E143-G433 PolarHBondContact OE1-N 3.46Å; E143-T434 PolarHBondContact OE2-N 3.02Å; E143-T434 PolarHBondContact OE2-OG1 2.82Å; E143-L437 HydrophobicContact CB-CD1 3.39Å; E143-L437 HydrophobicContact CG-CD1 3.69Å
144L86.7Confident89.3Confident52 Ų5224.5 Ų24.527%0.27213%0.134SC..Hα-helixtrans-117.7-4.3-173.5-60.1-175.4000113.7F140 I146 T434 L437 L441F140-L144 HydrophobicContact CD1-CD1 3.93Å; F140-L144 HydrophobicContact CE1-CD1 4.04Å; F140-L144 CarbonylContact O-C 3.57Å; F140-L144 WeakPolarHBondContact O-CA 3.35Å; F140-L144 WeakPolarHBondContact O-CB 3.15Å; F140-L144 PolarHBondContact O-N 3.32Å; L144-I146 HydrophobicContact CB-CG1 4.11Å; L144-I146 PolarHBondContact O-N 2.89Å; L144-T434 HydrophobicContact CD2-CG2 3.83Å; L144-L437 HydrophobicContact CD1-CB 3.71Å; L144-L437 HydrophobicContact CG-CB 4.22Å; L144-L437 HydrophobicContact CG-CD1 4.46Å; L144-L441 HydrophobicContact CD1-CD1 4.16Å; L144-L441 HydrophobicContact CD1-CD2 4.23Å; L144-L441 HydrophobicContact CD1-CG 4.26Å
145G86.4Confident87.3Confident57 Ų5729.7 Ų29.759%0.58816%0.158SC*.SBendtrans74.88178.200000115F140 L141F140-G145 PolarHBondContact O-N 3.46Å; L141-G145 WeakPolarHBondContact O-CA 3.43Å; L141-G145 PolarHBondContact O-N 2.52Å
146I89.2Confident85Confident62 Ų6233.5 Ų33.532%0.31817%0.174SC..SBendtrans-129.7154.9-178.460.9173.3000110.4F140 L141 L144 R148 L441F140-I146 CarbonylContact C-O 3.52Å; F140-I146 WeakPolarHBondContact CB-O 3.34Å; L141-I146 WeakPolarHBondContact CA-O 3.5Å; L141-I146 PolarHBondContact N-O 3.28Å; L144-I146 HydrophobicContact CB-CG1 4.11Å; L144-I146 PolarHBondContact O-N 2.89Å; I146-R148 HydrophobicContact CD1-CG 4.32Å; I146-L441 HydrophobicContact CD1-CD2 3.91Å
147R91Very high82.3Confident24 Ų2441 Ų419%0.09121%0.214CC..  trans-102.7119.4174.6-76.6-178169.2101.9-6.4111.5N6 Y15 E138 L141 T449N6-R147 PolarHBondContact O-NH1 2.71Å; N6-R147 PolarHBondContact O-NH2 2.89Å; Y15-R147 VanDerWaalsContact OH-CD 3.3Å; Y15-R147 WeakPolarHBondContact OH-CD 3.46Å; Y15-R147 PolarHBondContact OH-NE 2.94Å; E138-R147 IonicContact OE1-CZ 3.08Å; E138-R147 VanDerWaalsContact OE1-CZ 3.32Å; E138-R147 IonicContact OE1-NE 2.89Å; E138-R147 PolarHBondContact OE1-NE 3.43Å; E138-R147 IonicContact OE1-NH2 3.45Å; E138-R147 PolarHBondContact OE1-NH2 3.13Å; E138-R147 IonicContact OE2-NH2 2.75Å; L141-R147 HydrophobicContact CB-CG 4.04Å; L141-R147 HydrophobicContact CD1-CG 4.42Å; L141-R147 VanDerWaalsContact CD2-NH2 3.31Å; R147-T449 PolarHBondContact O-OG1 2.65Å
148R94.4Very high79.8Confident45 Ų4547.3 Ų47.317%0.1724%0.238CC..EExtended strand (participates in β ladder)trans-135.4142.4168.2-54.8-160172.9-171.2-5.4109.9A137 F140 I146 L441 I446 I447 E448A137-R148 WeakPolarHBondContact CA-O 3.29Å; F140-R148 HydrophobicContact CD1-CB 4.15Å; F140-R148 HydrophobicContact CD1-CG 4.42Å; F140-R148 HydrophobicContact CD2-CB 4.21Å; F140-R148 WeakPolarHBondContact CD2-O 3.46Å; F140-R148 HydrophobicContact CE1-CB 4.35Å; F140-R148 HydrophobicContact CE2-CB 4.4Å; F140-R148 HydrophobicContact CG-CB 4.1Å; F140-R148 HydrophobicContact CZ-CB 4.46Å; I146-R148 HydrophobicContact CD1-CG 4.32Å; R148-L441 PolarHBondContact NH1-O 3.36Å; R148-I446 HydrophobicContact CB-CG2 3.62Å; R148-I447 WeakPolarHBondContact CA-O 3.49Å; R148-E448 HydrophobicContact CG-CB 4.39Å; R148-E448 IonicContact CZ-OE1 3.27Å; R148-E448 IonicContact CZ-OE2 2.77Å; R148-E448 IonicContact NE-OE1 2.79Å; R148-E448 PolarHBondContact NE-OE1 3.49Å; R148-E448 IonicContact NH2-OE1 3.52Å; R148-E448 PolarHBondContact NH2-OE1 2.98Å; R148-E448 IonicContact NH2-OE2 3.32Å; R148-E448 PolarHBondContact NH2-OE2 3.21Å
149T95.8Very high77.5Confident1 Ų157.4 Ų57.41%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-155.1172.4176.5-166.90000110.5Y15 Q133 A137 I447Y15-T149 HydrophobicContact CD1-CG2 3.84Å; Y15-T149 HydrophobicContact CG-CG2 4.26Å; Q133-T149 HydrophobicContact CG-CG2 3.81Å; Q133-T149 WeakPolarHBondContact CG-OG1 3.48Å; Q133-T149 WeakPolarHBondContact O-CB 3.43Å; Q133-T149 PolarHBondContact O-OG1 3.4Å; A137-T149 HydrophobicContact CB-CG2 4.26Å; T149-I447 PolarHBondContact N-O 2.77Å; T149-I447 VanDerWaalsContact N-O 3.14Å; T149-I447 PolarHBondContact O-N 2.87Å
150F95.8Very high75Confident0 Ų061.6 Ų61.60%031%0.311CS..PPolyproline II helixtrans-82.5157.2175.260-93.1000112.1V94 I129 L132 Q133 I152 L311 F315 W445V94-F150 HydrophobicContact CB-CD2 3.64Å; V94-F150 HydrophobicContact CB-CE2 4.12Å; V94-F150 HydrophobicContact CB-CG 4.36Å; V94-F150 HydrophobicContact CG1-CD2 4.17Å; V94-F150 HydrophobicContact CG1-CE2 4.17Å; V94-F150 HydrophobicContact CG2-CB 3.67Å; V94-F150 HydrophobicContact CG2-CD2 3.48Å; V94-F150 VanDerWaalsContact CG2-CD2 3.48Å; V94-F150 HydrophobicContact CG2-CE2 4.26Å; V94-F150 HydrophobicContact CG2-CG 3.68Å; I129-F150 HydrophobicContact CG2-CE2 3.87Å; I129-F150 HydrophobicContact CG2-CZ 4.2Å; L132-F150 HydrophobicContact CB-CZ 4.26Å; Q133-F150 HydrophobicContact CB-CE1 4.42Å; Q133-F150 HydrophobicContact CB-CE2 3.95Å; Q133-F150 HydrophobicContact CB-CZ 3.84Å; Q133-F150 HydrophobicContact CG-CD2 4.5Å; Q133-F150 HydrophobicContact CG-CE2 4.3Å; Q133-F150 HydrophobicContact CG-CZ 4.49Å; Q133-F150 WeakPolarHBondContact CG-O 3.36Å; Q133-F150 PolarHBondContact NE2-O 3.05Å; F150-I152 HydrophobicContact CD2-CG1 3.92Å; F150-I152 HydrophobicContact CE2-CD1 3.93Å; F150-I152 HydrophobicContact CE2-CG1 3.61Å; F150-L311 HydrophobicContact CD1-CD2 4.08Å; F150-L311 HydrophobicContact CE1-CD2 3.62Å; F150-L311 HydrophobicContact CE2-CD2 4.49Å; F150-L311 HydrophobicContact CZ-CD2 3.85Å; F150-F315 HydrophobicContact CB-CZ 3.84Å; F150-F315 HydrophobicContact CD1-CE2 4.01Å; F150-F315 AromaticContact CD1-CZ 3.86Å; F150-F315 HydrophobicContact CD1-CZ 3.86Å; F150-F315 AromaticContact CG-CZ 4Å; F150-F315 HydrophobicContact CG-CZ 4Å; F150-W445 WeakPolarHBondContact CA-O 3.49Å; F150-W445 WeakPolarHBondContact CB-O 3.15Å
151I93Very high72.9Confident13 Ų1362.8 Ų62.87%0.06732%0.319CS..PPolyproline II helixtrans-96.9136.2174.3-66.8174.3000109.3N87 I93 V94 I447N87-I151 HydrophobicContact CB-CD1 3.75Å; N87-I151 WeakPolarHBondContact O-CD1 3.33Å; I93-I151 WeakPolarHBondContact CA-O 3.28Å; I93-I151 HydrophobicContact CG2-CG2 4.42Å; V94-I151 PolarHBondContact N-O 3.48Å; I151-I447 HydrophobicContact CB-CD1 4.11Å; I151-I447 HydrophobicContact CD1-CB 4.49Å; I151-I447 HydrophobicContact CD1-CD1 3.38Å; I151-I447 HydrophobicContact CD1-CG1 4.48Å; I151-I447 HydrophobicContact CD1-CG2 4.25Å; I151-I447 HydrophobicContact CG1-CD1 3.57Å
152I90.2Very high70.9Confident1 Ų169.3 Ų69.31%0.00535%0.349CS..BIsolated β-bridgetrans-102.8137.6170.7-55.1157.9000107.3I129 R130 Q133 F150 E154 A171I129-I152 HydrophobicContact CB-CD1 4.43Å; I129-I152 HydrophobicContact CG2-CD1 3.64Å; I129-I152 HydrophobicContact CG2-CG1 3.95Å; R130-I152 HydrophobicContact CG-CD1 4.45Å; Q133-I152 HydrophobicContact CB-CD1 4.02Å; Q133-I152 HydrophobicContact CG-CD1 4.38Å; F150-I152 HydrophobicContact CD2-CG1 3.92Å; F150-I152 HydrophobicContact CE2-CD1 3.93Å; F150-I152 HydrophobicContact CE2-CG1 3.61Å; I152-E154 PolarHBondContact O-N 3.38Å; I152-A171 HydrophobicContact CD1-CB 4.12Å; I152-A171 HydrophobicContact CG2-CB 3.71Å
153K76.3Confident69.5Low112 Ų11272.5 Ų72.549%0.48736%0.363SS..PPolyproline II helixtrans-66.5122.1177.1-173.9169.4-176.1167.80110.5I93 C172I93-K153 HydrophobicContact CD1-CB 3.96Å; I93-K153 HydrophobicContact CD1-CD 3.9Å; I93-K153 HydrophobicContact CD1-CG 4.44Å; K153-C172 WeakPolarHBondContact O-CB 3.45Å
154E66.8Low68.1Low35 Ų3571.6 Ų71.616%0.16436%0.359CS..PPolyproline II helixtrans-97.1133.1176.1-45.1-163.8149.500109.8Y84 H86 R130 I152 F156Y84-E154 PolarHBondContact OH-OE1 2.89Å; H86-E154 IonicContact CD2-OE2 3.39Å; H86-E154 PolarHBondContact CD2-OE2 3.22Å; H86-E154 IonicContact NE2-OE2 2.95Å; R130-E154 IonicContact CZ-OE1 3.53Å; R130-E154 VanDerWaalsContact CZ-OE1 3.27Å; R130-E154 IonicContact NH1-OE1 3.05Å; R130-E154 PolarHBondContact NH1-OE1 3.02Å; R130-E154 IonicContact NH2-OE1 2.8Å; R130-E154 PolarHBondContact NH2-OE1 3.07Å; I152-E154 PolarHBondContact O-N 3.38Å; E154-F156 HydrophobicContact CB-CD2 4.38Å; E154-F156 HydrophobicContact CB-CE2 3.95Å; E154-F156 HydrophobicContact CB-CZ 4.14Å; E154-F156 PolarHBondContact O-N 3.36Å; E154-F156 WeakPolarHBondContact OE2-CZ 3.24Å
155E53.6Low66.5Low109 Ų10970.1 Ų70.151%0.50935%0.353SS..  trans-87.388.8169.9-88.1-17417300109.6N157 C172E155-N157 PolarHBondContact O-N 3.32Å; E155-C172 HydrophobicContact CG-CB 4.48Å
156F47.1Very low64.9Low80 Ų8070.2 Ų70.235%0.35134%0.34SS..THydrogen-bonded Turntrans-62.6-11.1175.2-70.7-76.1000114.3H86 E154H86-F156 AromaticContact CD2-CZ 3.55Å; H86-F156 AromaticContact NE2-CE2 3.66Å; H86-F156 AromaticContact NE2-CZ 3.65Å; E154-F156 HydrophobicContact CB-CD2 4.38Å; E154-F156 HydrophobicContact CB-CE2 3.95Å; E154-F156 HydrophobicContact CB-CZ 4.14Å; E154-F156 PolarHBondContact O-N 3.36Å; E154-F156 WeakPolarHBondContact OE2-CZ 3.24Å
157N37.5Very low63.1Low156 Ų15672.4 Ų72.483%0.83435%0.345SS*.THydrogen-bonded Turntrans-86.8-3.2-171.1-78.1-20.1000115.1E155 K159E155-N157 PolarHBondContact O-N 3.32Å; N157-K159 PolarHBondContact O-N 3.26Å
158R42.3Very low61.2Low134 Ų13471.4 Ų71.451%0.50634%0.341SS..  trans-76.192.9171.4-78.3-172.5-179.1179.8-2.6109.7S160 E170R158-S160 PolarHBondContact O-N 3.18Å; R158-E170 IonicContact NH1-OE2 3.24Å; R158-E170 PolarHBondContact NH1-OE2 2.91Å; R158-E170 VanDerWaalsContact NH1-OE2 3.08Å
159K40.8Very low59Low217 Ų21769.6 Ų69.694%0.94334%0.336SS*.THydrogen-bonded Turntrans-58.54.8169.1-70.9-175175-178.10114.5N157N157-K159 PolarHBondContact O-N 3.26Å
160S39.1Very low57.1Low90 Ų9072.5 Ų72.563%0.62935%0.349SS*.THydrogen-bonded Turntrans-106.7-12-162.856.90000116.1R158R158-S160 PolarHBondContact O-N 3.18Å
161S45.9Very low55.3Low24 Ų2472.7 Ų72.717%0.16835%0.35CS..  trans-102.7111.2-179.7-720000109.7D166 W167S161-D166 WeakPolarHBondContact CB-OD2 3.47Å; S161-D166 WeakPolarHBondContact OG-CB 3.41Å; S161-D166 PolarHBondContact OG-OD2 3.27Å; S161-W167 VanDerWaalsContact CB-NE1 3.32Å; S161-W167 PolarHBondContact O-NE1 3.48Å
162Q48Very low54.5Low182 Ų18273.3 Ų73.385%0.8536%0.355SS*.  trans-84.9-14.2173.3-69.7-176.2-11.700112
163N54.2Low54.6Low100 Ų10073.9 Ų73.954%0.53536%0.36SS..SBendtrans-99.8135.6-173.2-65.8-18.8000112.1S165 D166 W167N163-S165 PolarHBondContact O-N 3.08Å; N163-D166 PolarHBondContact O-N 3.42Å; N163-W167 VanDerWaalsContact O-CD1 3.29Å
164I54.9Low55.2Low9 Ų970.2 Ų70.25%0.04635%0.345CS..Hα-helixtrans-55.6-37.7176.7-72.4156.6000112.2S43 W45 P61 D166 W167 S168S43-I164 VanDerWaalsContact C-CD1 3.45Å; S43-I164 WeakPolarHBondContact O-CD1 3.42Å; S43-I164 WeakPolarHBondContact OG-CD1 3.11Å; S43-I164 WeakPolarHBondContact OG-CG1 3.46Å; W45-I164 HydrophobicContact CB-CB 4.28Å; W45-I164 HydrophobicContact CB-CD1 3.94Å; W45-I164 HydrophobicContact CB-CG2 4.37Å; P61-I164 HydrophobicContact CB-CG2 3.61Å; P61-I164 HydrophobicContact CG-CG2 3.62Å; I164-D166 VanDerWaalsContact C-N 3.31Å; I164-D166 PolarHBondContact O-N 2.96Å; I164-W167 PolarHBondContact O-N 3.29Å; I164-S168 WeakPolarHBondContact O-CB 3.47Å; I164-S168 PolarHBondContact O-N 3.47Å; I164-S168 VanDerWaalsContact O-N 3.09Å; I164-S168 PolarHBondContact O-OG 2.93Å
165S53.5Low56.6Low21 Ų2170.2 Ų70.215%0.14735%0.348CS..Hα-helixtrans-59.2-42.3-177.250.30000111.8N163 W167 S168 S169 E270N163-S165 PolarHBondContact O-N 3.08Å; S165-W167 PolarHBondContact O-N 2.94Å; S165-S168 PolarHBondContact O-OG 3.25Å; S165-S168 VanDerWaalsContact O-OG 3.1Å; S165-S169 WeakPolarHBondContact O-CB 3.28Å; S165-S169 PolarHBondContact O-N 3.44Å; S165-S169 PolarHBondContact O-OG 3.11Å; S165-E270 VanDerWaalsContact CB-OE1 3.3Å; S165-E270 WeakPolarHBondContact CB-OE1 3.16Å
166D53.7Low58.6Low59 Ų5965 Ų6532%0.31632%0.324SS..Hα-helixtrans-61.3-44.9177.8-68.2-10000111.6S161 N163 I164 E170S161-D166 WeakPolarHBondContact CB-OD2 3.47Å; S161-D166 WeakPolarHBondContact OG-CB 3.41Å; S161-D166 PolarHBondContact OG-OD2 3.27Å; N163-D166 PolarHBondContact O-N 3.42Å; I164-D166 VanDerWaalsContact C-N 3.31Å; I164-D166 PolarHBondContact O-N 2.96Å; D166-E170 WeakPolarHBondContact O-CB 3.41Å; D166-E170 WeakPolarHBondContact O-CG 3.37Å; D166-E170 PolarHBondContact O-N 3.21Å; D166-E170 VanDerWaalsContact O-N 3.12Å
167W50.2Low61Low109 Ų10967.1 Ų67.141%0.41333%0.33SS..Hα-helixtrans-71.1-39.9-174.4-71.851.6000112.3S161 N163 I164 S165S161-W167 VanDerWaalsContact CB-NE1 3.32Å; S161-W167 PolarHBondContact O-NE1 3.48Å; N163-W167 VanDerWaalsContact O-CD1 3.29Å; I164-W167 PolarHBondContact O-N 3.29Å; S165-W167 PolarHBondContact O-N 2.94Å
168S51.5Low63.9Low2 Ų260 Ų601%0.01429%0.293CS..Hα-helixtrans-80-29.9-174.9540000112.8P61 I164 S165P61-S168 WeakPolarHBondContact CB-OG 2.98Å; I164-S168 WeakPolarHBondContact O-CB 3.47Å; I164-S168 PolarHBondContact O-N 3.47Å; I164-S168 VanDerWaalsContact O-N 3.09Å; I164-S168 PolarHBondContact O-OG 2.93Å; S165-S168 PolarHBondContact O-OG 3.25Å; S165-S168 VanDerWaalsContact O-OG 3.1Å
169S49.5Very low66.6Low8 Ų857.8 Ų57.86%0.05630%0.298CS..Hα-helixtrans-90.7-28.7-177.6-58.60000112.6L127 S165 A171L127-S169 PolarHBondContact N-O 3.31Å; S165-S169 WeakPolarHBondContact O-CB 3.28Å; S165-S169 PolarHBondContact O-N 3.44Å; S165-S169 PolarHBondContact O-OG 3.11Å; S169-A171 PolarHBondContact O-N 3.17Å; S169-A171 VanDerWaalsContact O-N 3.12Å
170E55Low69.3Low62 Ų6248 Ų4829%0.2926%0.256SS..  trans-83.585.6175.5-66.6-170.7172.800111R158 D166 C172R158-E170 IonicContact NH1-OE2 3.24Å; R158-E170 PolarHBondContact NH1-OE2 2.91Å; R158-E170 VanDerWaalsContact NH1-OE2 3.08Å; D166-E170 WeakPolarHBondContact O-CB 3.41Å; D166-E170 WeakPolarHBondContact O-CG 3.37Å; D166-E170 PolarHBondContact O-N 3.21Å; D166-E170 VanDerWaalsContact O-N 3.12Å; E170-C172 PolarHBondContact O-N 3.42Å
171A58.4Low72.1Confident3 Ų345.5 Ų45.53%0.02524%0.238CC..  trans-60131.2144.800000107.5G126 R130 I152 S169 C173G126-A171 WeakPolarHBondContact CA-O 3.34Å; G126-A171 VanDerWaalsContact O-CB 3.3Å; G126-A171 WeakPolarHBondContact O-CB 3.45Å; R130-A171 HydrophobicContact CG-CB 3.72Å; I152-A171 HydrophobicContact CD1-CB 4.12Å; I152-A171 HydrophobicContact CG2-CB 3.71Å; S169-A171 PolarHBondContact O-N 3.17Å; S169-A171 VanDerWaalsContact O-N 3.12Å; A171-C173 PolarHBondContact O-N 2.85Å
172C76.2Confident74.5Confident26 Ų2648.4 Ų48.418%0.17625%0.248CC..  trans-6980.5-177.7-172.10000110.4K153 E155 E170K153-C172 WeakPolarHBondContact O-CB 3.45Å; E155-C172 HydrophobicContact CG-CB 4.48Å; E170-C172 PolarHBondContact O-N 3.42Å
173C91.1Very high76.9Confident14 Ų1444.1 Ų44.110%0.09523%0.234CC..  trans-76121.1164-177.90000107.6P96 C122 I125 A171P96-C173 HydrophobicContact CB-CB 4.22Å; P96-C173 HydrophobicContact CG-CB 4.14Å; P96-C173 WeakPolarHBondContact O-CA 3.33Å; C122-C173 HydrophobicContact CB-CB 4.08Å; C122-C173 WeakPolarHBondContact O-CB 3.48Å; C122-C173 PolarHBondContact SG-O 2.98Å; C122-C173 VanDerWaalsContact SG-O 3.38Å; I125-C173 HydrophobicContact CB-CB 4.27Å; I125-C173 HydrophobicContact CG2-CB 4.07Å; A171-C173 PolarHBondContact O-N 2.85Å
174I90.1Very high78.9Confident35 Ų3540.8 Ų40.818%0.17922%0.215CC..EExtended strand (participates in β ladder)trans-104.7146.517963.1167000110.9K95 P96 I97 Y98 H176K95-I174 VanDerWaalsContact CE-CD1 3.43Å; P96-I174 PolarHBondContact O-N 2.97Å; I97-I174 WeakPolarHBondContact CA-O 3.46Å; I97-I174 HydrophobicContact CG2-CD1 4.34Å; I97-I174 HydrophobicContact CG2-CG1 3.76Å; Y98-I174 PolarHBondContact N-O 3.49Å; I174-H176 PolarHBondContact O-N 3.27Å
175C95.2Very high80.9Confident34 Ų3440.5 Ų40.523%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-70124166.4-69.60000109.6Y98 I100 Y177Y98-C175 CarbonylContact O-C 3.54Å; Y98-C175 WeakPolarHBondContact O-CA 3.3Å; I100-C175 HydrophobicContact CD1-CB 4.12Å; C175-Y177 HydrophobicContact CB-CE2 4.14Å
176H96.9Very high82.9Confident0 Ų042.5 Ų42.50%023%0.228CC..EExtended strand (participates in β ladder)trans-108.8106.3169.6171.875.1000108.9I97 Y98 V99 I100 I174 S178 E200 Y205I97-H176 HydrophobicContact CB-CB 4.26Å; I97-H176 HydrophobicContact CD1-CB 4.19Å; Y98-H176 PolarHBondContact O-N 2.93Å; V99-H176 WeakPolarHBondContact CA-O 3.35Å; I100-H176 PolarHBondContact N-O 2.8Å; I174-H176 PolarHBondContact O-N 3.27Å; H176-S178 PolarHBondContact O-N 3.35Å; H176-E200 IonicContact CE1-OE1 3Å; H176-E200 PolarHBondContact CE1-OE1 3.05Å; H176-E200 VanDerWaalsContact CE1-OE1 3.24Å; H176-E200 IonicContact NE2-OE1 3.28Å; H176-E200 PolarHBondContact NE2-OE1 3.31Å; H176-Y205 AromaticContact ND1-CE2 3.61Å; H176-Y205 AromaticContact ND1-CZ 3.97Å; H176-Y205 PolarHBondContact ND1-OH 2.65Å
177Y97.8Very high84.8Confident124 Ų12443.9 Ų43.949%0.48624%0.242SC..EExtended strand (participates in β ladder)trans-75.6114.8172.3-59-85.4000108.9I100 K118 C175 K204I100-Y177 HydrophobicContact CB-CD1 4.12Å; I100-Y177 HydrophobicContact CB-CE1 4.47Å; I100-Y177 HydrophobicContact CD1-CD1 4.23Å; I100-Y177 HydrophobicContact CD1-CE1 3.77Å; I100-Y177 HydrophobicContact CG2-CD1 4.25Å; I100-Y177 HydrophobicContact CG2-CE1 4.47Å; K118-Y177 PolarHBondContact NZ-OH 3.42Å; K118-Y177 VanDerWaalsContact NZ-OH 3.09Å; C175-Y177 HydrophobicContact CB-CE2 4.14Å; Y177-K204 PolarHBondContact O-NZ 2.71Å
178S98.2Very high87Confident7 Ų741.6 Ų41.65%0.04924%0.238CC..  trans-98.3150.3-174.9175.30000112.3I100 S102 H176 L180 E200I100-S178 PolarHBondContact O-N 2.74Å; S102-S178 WeakPolarHBondContact CB-O 3.45Å; S102-S178 PolarHBondContact N-O 3.39Å; H176-S178 PolarHBondContact O-N 3.35Å; S178-L180 VanDerWaalsContact C-N 3.25Å; S178-L180 WeakPolarHBondContact OG-CB 3.5Å; S178-L180 WeakPolarHBondContact OG-CG 3.36Å; S178-L180 PolarHBondContact OG-N 3.02Å; S178-L180 VanDerWaalsContact OG-N 3.14Å; S178-E200 WeakPolarHBondContact CA-OE1 3.35Å; S178-E200 PolarHBondContact OG-OE2 3.34Å
179S97.8Very high89.1Confident87 Ų8744.6 Ų44.661%0.60826%0.256SS*.SBendtrans-70.2-22.6171.366.60000113S102 E200S102-S179 PolarHBondContact OG-O 3.21Å; S179-E200 WeakPolarHBondContact CB-OE2 3.3Å; S179-E200 PolarHBondContact N-OE1 3.48Å; S179-E200 PolarHBondContact N-OE2 2.93Å; S179-E200 PolarHBondContact OG-OE2 2.8Å
180L98Very high91.3Very high11 Ų1146.8 Ų46.86%0.05827%0.27CS..  trans-61139.4179.5-58-177.8000111C101 S102 S178 F184 V185 V193 K196 L197C101-L180 CarbonylContact C-O 3.51Å; C101-L180 VanDerWaalsContact CA-O 3.24Å; C101-L180 WeakPolarHBondContact CA-O 3.14Å; C101-L180 WeakPolarHBondContact CB-O 3.22Å; S102-L180 PolarHBondContact N-O 3.31Å; S102-L180 PolarHBondContact OG-O 3.19Å; S178-L180 VanDerWaalsContact C-N 3.25Å; S178-L180 WeakPolarHBondContact OG-CB 3.5Å; S178-L180 WeakPolarHBondContact OG-CG 3.36Å; S178-L180 PolarHBondContact OG-N 3.02Å; S178-L180 VanDerWaalsContact OG-N 3.14Å; L180-F184 HydrophobicContact CB-CD1 4.34Å; L180-F184 HydrophobicContact CD1-CD1 4.42Å; L180-F184 HydrophobicContact CD1-CE1 4.41Å; L180-F184 HydrophobicContact CD2-CD1 3.7Å; L180-F184 HydrophobicContact CD2-CE1 3.82Å; L180-F184 HydrophobicContact CG-CD1 4.37Å; L180-V185 HydrophobicContact CB-CG2 4.2Å; L180-V185 HydrophobicContact CD1-CG2 4.43Å; L180-V193 HydrophobicContact CD1-CG1 4.44Å; L180-K196 HydrophobicContact CD2-CB 3.93Å; L180-K196 HydrophobicContact CD2-CD 3.96Å; L180-L197 HydrophobicContact CD1-CB 4.37Å
181S98Very high93.3Very high38 Ų3849 Ų4927%0.26628%0.281SS..  trans-93.7156.2171.267.10000111.3D103 T183 F184 V185D103-S181 VanDerWaalsContact OD1-CA 3.23Å; D103-S181 WeakPolarHBondContact OD1-CA 3.38Å; S181-T183 PolarHBondContact O-N 3.41Å; S181-F184 WeakPolarHBondContact O-CB 3.47Å; S181-F184 PolarHBondContact O-N 2.91Å; S181-F184 VanDerWaalsContact O-N 3.08Å; S181-F184 PolarHBondContact OG-N 2.77Å; S181-V185 WeakPolarHBondContact O-CG2 3.44Å; S181-V185 PolarHBondContact O-N 3.39Å
182K97.3Very high95.1Very high86 Ų8651.7 Ų51.737%0.37430%0.295SS..Hα-helixtrans-55.9-41.1173.7-67178.3-54.4-155.50111.2C101 D103 D104 F184 V185 S186 C220C101-K182 HydrophobicContact CB-CG 4.09Å; D103-K182 VanDerWaalsContact O-CE 3.24Å; D103-K182 WeakPolarHBondContact O-CE 3.41Å; D103-K182 PolarHBondContact O-NZ 3.38Å; D103-K182 WeakPolarHBondContact OD1-CG 3.38Å; D103-K182 PolarHBondContact OD1-N 2.92Å; D103-K182 VanDerWaalsContact OD2-CE 3.22Å; D103-K182 WeakPolarHBondContact OD2-CE 3.34Å; D103-K182 PolarHBondContact OD2-N 3.06Å; D104-K182 HydrophobicContact CB-CD 4.07Å; D104-K182 HydrophobicContact CB-CG 4.26Å; D104-K182 VanDerWaalsContact OD2-CD 3.32Å; D104-K182 WeakPolarHBondContact OD2-CD 3.39Å; K182-F184 PolarHBondContact O-N 3.22Å; K182-V185 PolarHBondContact O-N 3.02Å; K182-S186 WeakPolarHBondContact O-CB 3.09Å; K182-S186 PolarHBondContact O-N 2.64Å; K182-S186 PolarHBondContact O-OG 3.44Å; K182-S186 VanDerWaalsContact O-OG 3.09Å; K182-C220 HydrophobicContact CD-CB 4.29Å; K182-C220 HydrophobicContact CG-CB 3.8Å
183T96.6Very high96.2Very high91 Ų9150.5 Ų50.556%0.55829%0.286SS*.Hα-helixtrans-58.3-47.8176-52.50000110.9S181 V185 S186 S187S181-T183 PolarHBondContact O-N 3.41Å; T183-V185 PolarHBondContact O-N 3.45Å; T183-S186 PolarHBondContact O-N 2.86Å; T183-S186 PolarHBondContact O-OG 3.49Å; T183-S187 VanDerWaalsContact O-CB 3.28Å; T183-S187 WeakPolarHBondContact O-CB 3.49Å; T183-S187 PolarHBondContact O-N 3.18Å; T183-S187 PolarHBondContact O-OG 3.36Å
184F97.5Very high96.5Very high30 Ų3052.3 Ų52.313%0.13229%0.291CS..Hα-helixtrans-57.7-50.8175.8174.5-93.8000111.2L180 S181 K182 S186 S187 N188 V193 K196L180-F184 HydrophobicContact CB-CD1 4.34Å; L180-F184 HydrophobicContact CD1-CD1 4.42Å; L180-F184 HydrophobicContact CD1-CE1 4.41Å; L180-F184 HydrophobicContact CD2-CD1 3.7Å; L180-F184 HydrophobicContact CD2-CE1 3.82Å; L180-F184 HydrophobicContact CG-CD1 4.37Å; S181-F184 WeakPolarHBondContact O-CB 3.47Å; S181-F184 PolarHBondContact O-N 2.91Å; S181-F184 VanDerWaalsContact O-N 3.08Å; S181-F184 PolarHBondContact OG-N 2.77Å; K182-F184 PolarHBondContact O-N 3.22Å; F184-S186 VanDerWaalsContact C-N 3.29Å; F184-S186 PolarHBondContact O-N 3.07Å; F184-S187 PolarHBondContact O-N 2.91Å; F184-N188 WeakPolarHBondContact CD2-ND2 3.45Å; F184-N188 HydrophobicContact CE2-CB 4.13Å; F184-N188 WeakPolarHBondContact CE2-ND2 3.26Å; F184-N188 WeakPolarHBondContact CE2-OD1 3.34Å; F184-N188 HydrophobicContact CZ-CB 4.05Å; F184-N188 PolarHBondContact O-N 2.94Å; F184-N188 PolarHBondContact O-ND2 2.94Å; F184-V193 HydrophobicContact CE1-CG2 4.1Å; F184-K196 HydrophobicContact CE1-CB 4.48Å; F184-K196 HydrophobicContact CE1-CD 3.7Å; F184-K196 HydrophobicContact CE1-CG 4.38Å; F184-K196 HydrophobicContact CE2-CD 3.89Å; F184-K196 VanDerWaalsContact CE2-CE 3.42Å; F184-K196 HydrophobicContact CZ-CD 3.32Å; F184-K196 HydrophobicContact CZ-CG 4.06Å; F184-K196 VanDerWaalsContact CZ-NZ 3.34Å
185V97.4Very high96.9Very high3 Ų355.1 Ų55.12%0.01830%0.304CS..Hα-helixtrans-60.2-38.9-178.4178.70000111.9L180 S181 K182 T183 V193 M218 A245 F247L180-V185 HydrophobicContact CB-CG2 4.2Å; L180-V185 HydrophobicContact CD1-CG2 4.43Å; S181-V185 WeakPolarHBondContact O-CG2 3.44Å; S181-V185 PolarHBondContact O-N 3.39Å; K182-V185 PolarHBondContact O-N 3.02Å; T183-V185 PolarHBondContact O-N 3.45Å; V185-V193 HydrophobicContact CG1-CG1 4.26Å; V185-V193 HydrophobicContact CG1-CG2 4.32Å; V185-V193 HydrophobicContact CG2-CG1 4.35Å; V185-M218 HydrophobicContact CG1-CE 4.19Å; V185-M218 HydrophobicContact CG2-CE 3.94Å; V185-A245 HydrophobicContact CG1-CB 3.53Å; V185-F247 HydrophobicContact CG1-CE2 3.72Å; V185-F247 HydrophobicContact CG1-CZ 3.57Å
186S94.2Very high97Very high63 Ų6358.4 Ų58.444%0.44131%0.314SS..Hα-helixtrans-77.7-22-179.865.70000114.8K182 T183 F184K182-S186 WeakPolarHBondContact O-CB 3.09Å; K182-S186 PolarHBondContact O-N 2.64Å; K182-S186 PolarHBondContact O-OG 3.44Å; K182-S186 VanDerWaalsContact O-OG 3.09Å; T183-S186 PolarHBondContact O-N 2.86Å; T183-S186 PolarHBondContact O-OG 3.49Å; F184-S186 VanDerWaalsContact C-N 3.29Å; F184-S186 PolarHBondContact O-N 3.07Å
187S94.9Very high97.1Very high88 Ų8858.4 Ų58.462%0.61531%0.314SS*.Hα-helixtrans-104.12.8-173.2-59.70000114.1T183 F184T183-S187 VanDerWaalsContact O-CB 3.28Å; T183-S187 WeakPolarHBondContact O-CB 3.49Å; T183-S187 PolarHBondContact O-N 3.18Å; T183-S187 PolarHBondContact O-OG 3.36Å; F184-S187 PolarHBondContact O-N 2.91Å
188N96.5Very high97.1Very high62 Ų6253.3 Ų53.333%0.33230%0.298SS..SBendtrans-125.4165.2-177.7-69.2-99.8000110.8F184 D192 V193F184-N188 WeakPolarHBondContact CD2-ND2 3.45Å; F184-N188 HydrophobicContact CE2-CB 4.13Å; F184-N188 WeakPolarHBondContact CE2-ND2 3.26Å; F184-N188 WeakPolarHBondContact CE2-OD1 3.34Å; F184-N188 HydrophobicContact CZ-CB 4.05Å; F184-N188 PolarHBondContact O-N 2.94Å; F184-N188 PolarHBondContact O-ND2 2.94Å; N188-D192 HydrophobicContact CB-CB 3.87Å; N188-V193 HydrophobicContact CB-CG2 4.38Å
189T95.1Very high97Very high65 Ų6559.8 Ų59.840%0.39932%0.322SS..  trans-71.1157.3179.566.20000111.4E191 D192 V193T189-E191 PolarHBondContact O-N 2.9Å; T189-D192 WeakPolarHBondContact CB-OD2 3.5Å; T189-D192 PolarHBondContact N-OD2 3.08Å; T189-D192 VanDerWaalsContact N-OD2 3.13Å; T189-D192 PolarHBondContact O-N 3.18Å; T189-D192 VanDerWaalsContact O-N 3.16Å; T189-D192 PolarHBondContact OG1-N 3.41Å; T189-D192 PolarHBondContact OG1-OD2 3.47Å; T189-V193 WeakPolarHBondContact O-CG2 3.35Å; T189-V193 PolarHBondContact O-N 2.81Å; T189-V193 VanDerWaalsContact O-N 3.09Å
190P95.1Very high97Very high53 Ų5356.7 Ų56.734%0.34430%0.298SS..Hα-helixtrans-48.9-40.5170.3-30.738.4000113.6V193 W194 F247 L249P190-V193 PolarHBondContact O-N 2.91Å; P190-W194 VanDerWaalsContact O-CB 3.23Å; P190-W194 WeakPolarHBondContact O-CB 3.29Å; P190-W194 PolarHBondContact O-N 3.47Å; P190-F247 HydrophobicContact CB-CD1 3.77Å; P190-F247 HydrophobicContact CB-CE1 4.16Å; P190-F247 HydrophobicContact CG-CD1 3.97Å; P190-F247 HydrophobicContact CG-CE1 4.18Å; P190-L249 HydrophobicContact CB-CD2 4.17Å
191E96.8Very high96.9Very high109 Ų10956.2 Ų56.251%0.50930%0.295SS..Hα-helixtrans-66.3-42.7179.8-65.176.8-172.300112T189 W194 Q195 L249T189-E191 PolarHBondContact O-N 2.9Å; E191-W194 PolarHBondContact O-N 3.01Å; E191-Q195 VanDerWaalsContact O-CB 3.28Å; E191-Q195 WeakPolarHBondContact O-CB 3.42Å; E191-Q195 PolarHBondContact O-N 2.81Å; E191-L249 HydrophobicContact CG-CD2 4.34Å
192D97.5Very high96.9Very high60 Ų6060.1 Ų60.132%0.32131%0.305SS..Hα-helixtrans-63.1-43.1176.3-64.7-46.2000111.5N188 T189 Q195 K196N188-D192 HydrophobicContact CB-CB 3.87Å; T189-D192 WeakPolarHBondContact CB-OD2 3.5Å; T189-D192 PolarHBondContact N-OD2 3.08Å; T189-D192 VanDerWaalsContact N-OD2 3.13Å; T189-D192 PolarHBondContact O-N 3.18Å; T189-D192 VanDerWaalsContact O-N 3.16Å; T189-D192 PolarHBondContact OG1-N 3.41Å; T189-D192 PolarHBondContact OG1-OD2 3.47Å; D192-Q195 PolarHBondContact O-N 3.41Å; D192-K196 PolarHBondContact O-N 2.76Å
193V98.2Very high96.8Very high0 Ų063.4 Ų63.40%032%0.322CS..Hα-helixtrans-66-46.6178.2176.90000110.3L180 F184 V185 N188 T189 P190 Q195 K196 L197 F247 L256L180-V193 HydrophobicContact CD1-CG1 4.44Å; F184-V193 HydrophobicContact CE1-CG2 4.1Å; V185-V193 HydrophobicContact CG1-CG1 4.26Å; V185-V193 HydrophobicContact CG1-CG2 4.32Å; V185-V193 HydrophobicContact CG2-CG1 4.35Å; N188-V193 HydrophobicContact CB-CG2 4.38Å; T189-V193 WeakPolarHBondContact O-CG2 3.35Å; T189-V193 PolarHBondContact O-N 2.81Å; T189-V193 VanDerWaalsContact O-N 3.09Å; P190-V193 PolarHBondContact O-N 2.91Å; V193-Q195 VanDerWaalsContact C-N 3.33Å; V193-Q195 PolarHBondContact O-N 3.2Å; V193-K196 PolarHBondContact O-N 2.94Å; V193-L197 WeakPolarHBondContact O-CB 3.44Å; V193-L197 PolarHBondContact O-N 2.85Å; V193-F247 HydrophobicContact CB-CE1 4.44Å; V193-F247 HydrophobicContact CB-CZ 4.33Å; V193-F247 HydrophobicContact CG1-CE2 4.46Å; V193-F247 HydrophobicContact CG1-CZ 4.14Å; V193-F247 HydrophobicContact CG2-CE1 4.41Å; V193-F247 HydrophobicContact CG2-CZ 4.19Å; V193-L256 HydrophobicContact CB-CD2 4.3Å; V193-L256 HydrophobicContact CG1-CD2 3.96Å
194W98.2Very high96.7Very high52 Ų5263.8 Ų63.820%0.19732%0.316CS..Hα-helixtrans-56.9-47.8176.1-178.1101.2000111.1P190 E191 L197 A198 L249 T251 L254 L256P190-W194 VanDerWaalsContact O-CB 3.23Å; P190-W194 WeakPolarHBondContact O-CB 3.29Å; P190-W194 PolarHBondContact O-N 3.47Å; E191-W194 PolarHBondContact O-N 3.01Å; W194-L197 PolarHBondContact O-N 2.78Å; W194-A198 HydrophobicContact CE3-CB 4.39Å; W194-A198 HydrophobicContact CH2-CB 4.19Å; W194-A198 HydrophobicContact CZ3-CB 4.14Å; W194-A198 VanDerWaalsContact O-CB 3.32Å; W194-A198 WeakPolarHBondContact O-CB 3.27Å; W194-A198 PolarHBondContact O-N 3.16Å; W194-L249 HydrophobicContact CB-CD2 3.93Å; W194-L249 HydrophobicContact CG-CD2 4.13Å; W194-T251 HydrophobicContact CD2-CG2 4.18Å; W194-T251 HydrophobicContact CH2-CG2 3.96Å; W194-T251 HydrophobicContact CZ2-CG2 3.49Å; W194-T251 VanDerWaalsContact CZ2-CG2 3.49Å; W194-T251 WeakPolarHBondContact CZ2-O 3.32Å; W194-T251 HydrophobicContact CZ3-CG2 4.44Å; W194-L254 HydrophobicContact CD2-CD2 4.32Å; W194-L254 HydrophobicContact CG-CD2 4.2Å; W194-L254 HydrophobicContact CZ2-CB 3.86Å; W194-L254 PolarHBondContact NE1-O 3.24Å; W194-L256 HydrophobicContact CB-CD2 3.99Å
195Q97.8Very high96.5Very high94 Ų9465 Ų6544%0.43932%0.32SS..Hα-helixtrans-62.9-48.8-177.8-176.5178.124.800111.3E191 D192 V193 L197 A198 Y199E191-Q195 VanDerWaalsContact O-CB 3.28Å; E191-Q195 WeakPolarHBondContact O-CB 3.42Å; E191-Q195 PolarHBondContact O-N 2.81Å; D192-Q195 PolarHBondContact O-N 3.41Å; V193-Q195 VanDerWaalsContact C-N 3.33Å; V193-Q195 PolarHBondContact O-N 3.2Å; Q195-L197 PolarHBondContact O-N 2.96Å; Q195-A198 PolarHBondContact O-N 3.49Å; Q195-Y199 HydrophobicContact CG-CD2 3.87Å; Q195-Y199 HydrophobicContact CG-CE2 3.54Å; Q195-Y199 WeakPolarHBondContact O-CD2 3.45Å; Q195-Y199 PolarHBondContact O-N 3.02Å; Q195-Y199 VanDerWaalsContact O-N 3.07Å
196K98.1Very high96.1Very high103 Ų10368.6 Ų68.645%0.44834%0.343SS..Hα-helixtrans-64.1-41.6178.8-71.6-159-171.7177.20112.4L180 F184 D192 V193 A198 Y199 E200L180-K196 HydrophobicContact CD2-CB 3.93Å; L180-K196 HydrophobicContact CD2-CD 3.96Å; F184-K196 HydrophobicContact CE1-CB 4.48Å; F184-K196 HydrophobicContact CE1-CD 3.7Å; F184-K196 HydrophobicContact CE1-CG 4.38Å; F184-K196 HydrophobicContact CE2-CD 3.89Å; F184-K196 VanDerWaalsContact CE2-CE 3.42Å; F184-K196 HydrophobicContact CZ-CD 3.32Å; F184-K196 HydrophobicContact CZ-CG 4.06Å; F184-K196 VanDerWaalsContact CZ-NZ 3.34Å; D192-K196 PolarHBondContact O-N 2.76Å; V193-K196 PolarHBondContact O-N 2.94Å; K196-A198 VanDerWaalsContact C-N 3.35Å; K196-Y199 PolarHBondContact O-N 2.85Å; K196-E200 PolarHBondContact O-N 3.43Å
197L98Very high95.9Very high0 Ų074.4 Ų74.40%036%0.357CS..Hα-helixtrans-64.7-40.9177.5-177.863000111.3V99 L180 V193 W194 Q195 Y199 E200 L201 A216 M218 L254 L256V99-L197 HydrophobicContact CG1-CD1 4.18Å; V99-L197 HydrophobicContact CG2-CD1 4.39Å; V99-L197 HydrophobicContact CG2-CD2 4.12Å; L180-L197 HydrophobicContact CD1-CB 4.37Å; V193-L197 WeakPolarHBondContact O-CB 3.44Å; V193-L197 PolarHBondContact O-N 2.85Å; W194-L197 PolarHBondContact O-N 2.78Å; Q195-L197 PolarHBondContact O-N 2.96Å; L197-Y199 PolarHBondContact O-N 3.13Å; L197-E200 PolarHBondContact O-N 3.24Å; L197-L201 HydrophobicContact CD1-CD1 4.42Å; L197-L201 HydrophobicContact CD1-CG 4.21Å; L197-L201 HydrophobicContact CG-CD1 4.07Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.34Å; L197-L201 PolarHBondContact O-N 3.45Å; L197-A216 HydrophobicContact CD2-CB 3.73Å; L197-M218 HydrophobicContact CD2-SD 4.28Å; L197-L254 HydrophobicContact CB-CD2 4.46Å; L197-L254 HydrophobicContact CD2-CD2 4.3Å; L197-L254 HydrophobicContact CG-CD2 4.35Å; L197-L256 HydrophobicContact CD2-CD1 3.86Å
198A97.3Very high95.2Very high17 Ų1773.3 Ų73.314%0.1434%0.344CS..Hα-helixtrans-59.9-44.7176.500000111.9W194 Q195 K196 L201 Y202 L254W194-A198 HydrophobicContact CE3-CB 4.39Å; W194-A198 HydrophobicContact CH2-CB 4.19Å; W194-A198 HydrophobicContact CZ3-CB 4.14Å; W194-A198 VanDerWaalsContact O-CB 3.32Å; W194-A198 WeakPolarHBondContact O-CB 3.27Å; W194-A198 PolarHBondContact O-N 3.16Å; Q195-A198 PolarHBondContact O-N 3.49Å; K196-A198 VanDerWaalsContact C-N 3.35Å; A198-L201 PolarHBondContact O-N 3.1Å; A198-Y202 WeakPolarHBondContact O-CB 3.4Å; A198-Y202 PolarHBondContact O-N 3.02Å; A198-L254 HydrophobicContact CB-CD2 3.99Å
199Y97.1Very high94.8Very high143 Ų14372.1 Ų72.156%0.56134%0.336SS*.Hα-helixtrans-62.5-44.5173.9-78-62.1000112.2Q195 K196 L197 L201 Y202 E203Q195-Y199 HydrophobicContact CG-CD2 3.87Å; Q195-Y199 HydrophobicContact CG-CE2 3.54Å; Q195-Y199 WeakPolarHBondContact O-CD2 3.45Å; Q195-Y199 PolarHBondContact O-N 3.02Å; Q195-Y199 VanDerWaalsContact O-N 3.07Å; K196-Y199 PolarHBondContact O-N 2.85Å; L197-Y199 PolarHBondContact O-N 3.13Å; Y199-L201 VanDerWaalsContact C-N 3.33Å; Y199-L201 PolarHBondContact O-N 2.98Å; Y199-Y202 WeakPolarHBondContact O-CB 3.43Å; Y199-Y202 PolarHBondContact O-N 2.8Å; Y199-E203 WeakPolarHBondContact O-CG 3.5Å; Y199-E203 PolarHBondContact O-N 2.92Å
200E97.7Very high94.7Very high23 Ų2376.7 Ų76.711%0.10735%0.353CS..Hα-helixtrans-61.3-42.9178.6-165.4-169.8130.600111.8H176 S178 S179 K196 L197 Y202 E203 K204H176-E200 IonicContact CE1-OE1 3Å; H176-E200 PolarHBondContact CE1-OE1 3.05Å; H176-E200 VanDerWaalsContact CE1-OE1 3.24Å; H176-E200 IonicContact NE2-OE1 3.28Å; H176-E200 PolarHBondContact NE2-OE1 3.31Å; S178-E200 WeakPolarHBondContact CA-OE1 3.35Å; S178-E200 PolarHBondContact OG-OE2 3.34Å; S179-E200 WeakPolarHBondContact CB-OE2 3.3Å; S179-E200 PolarHBondContact N-OE1 3.48Å; S179-E200 PolarHBondContact N-OE2 2.93Å; S179-E200 PolarHBondContact OG-OE2 2.8Å; K196-E200 PolarHBondContact O-N 3.43Å; L197-E200 PolarHBondContact O-N 3.24Å; E200-Y202 VanDerWaalsContact C-N 3.33Å; E200-Y202 PolarHBondContact O-N 3.07Å; E200-E203 PolarHBondContact O-N 2.99Å; E200-K204 VanDerWaalsContact O-CB 3.27Å; E200-K204 WeakPolarHBondContact O-CB 3.48Å; E200-K204 PolarHBondContact O-N 3.01Å
201L96.6Very high94.7Very high0 Ų075.7 Ų75.70%034%0.344CS..Hα-helixtrans-65.3-37.6177.2-68.6173.7000111.7I97 L197 A198 Y199 Y205 F209 W214 L254I97-L201 HydrophobicContact CD1-CD1 3.81Å; I97-L201 HydrophobicContact CD1-CD2 3.61Å; I97-L201 HydrophobicContact CD1-CG 4.34Å; L197-L201 HydrophobicContact CD1-CD1 4.42Å; L197-L201 HydrophobicContact CD1-CG 4.21Å; L197-L201 HydrophobicContact CG-CD1 4.07Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 WeakPolarHBondContact O-CB 3.34Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.34Å; L197-L201 PolarHBondContact O-N 3.45Å; A198-L201 PolarHBondContact O-N 3.1Å; Y199-L201 VanDerWaalsContact C-N 3.33Å; Y199-L201 PolarHBondContact O-N 2.98Å; L201-Y205 HydrophobicContact CD2-CD2 3.95Å; L201-Y205 HydrophobicContact CD2-CE2 3.78Å; L201-Y205 WeakPolarHBondContact O-CA 3.37Å; L201-Y205 WeakPolarHBondContact O-CB 3.14Å; L201-Y205 PolarHBondContact O-N 2.94Å; L201-F209 HydrophobicContact CB-CE2 3.71Å; L201-F209 HydrophobicContact CB-CZ 4.5Å; L201-W214 HydrophobicContact CD1-CB 4.33Å; L201-W214 HydrophobicContact CD1-CD2 4.21Å; L201-W214 HydrophobicContact CD1-CE3 4.46Å; L201-W214 HydrophobicContact CD1-CG 4.15Å; L201-W214 HydrophobicContact CD2-CE3 4.48Å; L201-W214 HydrophobicContact CD2-CZ3 4.45Å; L201-L254 HydrophobicContact CD1-CD1 4.13Å
202Y96.2Very high94.6Very high121 Ų12171.2 Ų71.248%0.47532%0.324SS..Hα-helixtrans-63.7-45.7174.4175.4-97.8000111.7A198 Y199 E200 Y205 P206 F209A198-Y202 WeakPolarHBondContact O-CB 3.4Å; A198-Y202 PolarHBondContact O-N 3.02Å; Y199-Y202 WeakPolarHBondContact O-CB 3.43Å; Y199-Y202 PolarHBondContact O-N 2.8Å; E200-Y202 VanDerWaalsContact C-N 3.33Å; E200-Y202 PolarHBondContact O-N 3.07Å; Y202-Y205 CarbonylContact O-C 3.56Å; Y202-P206 WeakPolarHBondContact O-CA 3.05Å; Y202-P206 WeakPolarHBondContact O-CB 3.25Å; Y202-P206 WeakPolarHBondContact O-CD 3.35Å; Y202-P206 VanDerWaalsContact O-N 3.11Å; Y202-F209 HydrophobicContact CD2-CB 4.1Å; Y202-F209 AromaticContact CD2-CD1 3.72Å; Y202-F209 HydrophobicContact CD2-CD1 3.72Å; Y202-F209 HydrophobicContact CD2-CE1 4.27Å; Y202-F209 AromaticContact CD2-CG 3.86Å; Y202-F209 HydrophobicContact CD2-CG 3.86Å
203E96.3Very high94.5Very high155 Ų15569.5 Ų69.572%0.72431%0.314SS*.Hα-helixtrans-65.5-39.9178-71.8-172.8156.300112.6Y199 E200 P206Y199-E203 WeakPolarHBondContact O-CG 3.5Å; Y199-E203 PolarHBondContact O-N 2.92Å; E200-E203 PolarHBondContact O-N 2.99Å; E203-P206 WeakPolarHBondContact O-CD 3.36Å
204K94.6Very high94.5Very high98 Ų9869.5 Ų69.543%0.42631%0.314SS..Hα-helixtrans-80.4-32.9-176.5-166.5172.7-169.4157.60113.3Y177 E200 P206Y177-K204 PolarHBondContact O-NZ 2.71Å; E200-K204 VanDerWaalsContact O-CB 3.27Å; E200-K204 WeakPolarHBondContact O-CB 3.48Å; E200-K204 PolarHBondContact O-N 3.01Å; K204-P206 VanDerWaalsContact C-CD 3.41Å
205Y92.5Very high94.5Very high57 Ų5767 Ų6722%0.22430%0.304CS..SBendtrans-129.258.8-178-48.2-66.5000111.3H176 L201 Y202 Y207 W214H176-Y205 AromaticContact ND1-CE2 3.61Å; H176-Y205 AromaticContact ND1-CZ 3.97Å; H176-Y205 PolarHBondContact ND1-OH 2.65Å; L201-Y205 HydrophobicContact CD2-CD2 3.95Å; L201-Y205 HydrophobicContact CD2-CE2 3.78Å; L201-Y205 WeakPolarHBondContact O-CA 3.37Å; L201-Y205 WeakPolarHBondContact O-CB 3.14Å; L201-Y205 PolarHBondContact O-N 2.94Å; Y202-Y205 CarbonylContact O-C 3.56Å; Y205-Y207 VanDerWaalsContact C-N 3.27Å; Y205-Y207 PolarHBondContact O-N 3.12Å; Y205-W214 AromaticContact CD2-CH2 3.42Å; Y205-W214 HydrophobicContact CD2-CH2 3.42Å; Y205-W214 VanDerWaalsContact CD2-CH2 3.42Å; Y205-W214 AromaticContact CD2-CZ2 3.98Å; Y205-W214 HydrophobicContact CD2-CZ2 3.98Å; Y205-W214 HydrophobicContact CD2-CZ3 4.13Å; Y205-W214 AromaticContact CE2-CH2 3.97Å; Y205-W214 HydrophobicContact CE2-CH2 3.97Å; Y205-W214 HydrophobicContact CE2-CZ3 4.28Å; Y205-W214 AromaticContact CG-CH2 3.81Å; Y205-W214 HydrophobicContact CG-CH2 3.81Å; Y205-W214 HydrophobicContact CG-CZ2 4.25Å
206P90.4Very high94.5Very high78 Ų7862.6 Ų62.651%0.50628%0.283SS..  trans-67.3-31.2-172.626.1-34.8000112.3Y202 E203 K204 N208 F209Y202-P206 WeakPolarHBondContact O-CA 3.05Å; Y202-P206 WeakPolarHBondContact O-CB 3.25Å; Y202-P206 WeakPolarHBondContact O-CD 3.35Å; Y202-P206 VanDerWaalsContact O-N 3.11Å; E203-P206 WeakPolarHBondContact O-CD 3.36Å; K204-P206 VanDerWaalsContact C-CD 3.41Å; P206-N208 PolarHBondContact O-N 2.94Å; P206-F209 PolarHBondContact O-N 3.44Å
207Y88.2Confident94.5Very high185 Ų18557.9 Ų57.973%0.72526%0.263SS*.THydrogen-bonded Turntrans-68.2120.9-178.5-175.1-103.7000111.2Y205 F209Y205-Y207 VanDerWaalsContact C-N 3.27Å; Y205-Y207 PolarHBondContact O-N 3.12Å; Y207-F209 PolarHBondContact O-N 3.22Å
208N80.5Confident94.5Very high65 Ų6557.9 Ų57.935%0.34826%0.263SS..THydrogen-bonded Turntrans57.622.3-177.7-61.8-12.8000114.4P206 E210 N211 I212P206-N208 PolarHBondContact O-N 2.94Å; N208-E210 PolarHBondContact O-N 2.68Å; N208-N211 HydrophobicContact CB-CB 4.35Å; N208-N211 PolarHBondContact O-N 3.35Å; N208-I212 WeakPolarHBondContact O-CG1 3.1Å; N208-I212 PolarHBondContact O-N 2.71Å
209F89.3Confident94.5Very high37 Ų3757 Ų5716%0.16226%0.256CS..G310 helixtrans-52.1-41.7178.8-177.4-95000112.1L201 Y202 P206 Y207 N211 I212 W214L201-F209 HydrophobicContact CB-CE2 3.71Å; L201-F209 HydrophobicContact CB-CZ 4.5Å; Y202-F209 HydrophobicContact CD2-CB 4.1Å; Y202-F209 AromaticContact CD2-CD1 3.72Å; Y202-F209 HydrophobicContact CD2-CD1 3.72Å; Y202-F209 HydrophobicContact CD2-CE1 4.27Å; Y202-F209 AromaticContact CD2-CG 3.86Å; Y202-F209 HydrophobicContact CD2-CG 3.86Å; P206-F209 PolarHBondContact O-N 3.44Å; Y207-F209 PolarHBondContact O-N 3.22Å; F209-N211 PolarHBondContact O-N 3.31Å; F209-I212 PolarHBondContact O-N 2.8Å; F209-I212 VanDerWaalsContact O-N 3.08Å; F209-W214 HydrophobicContact CD2-CZ2 4.32Å; F209-W214 AromaticContact CD2-NE1 3.5Å; F209-W214 AromaticContact CE2-CD1 3.91Å; F209-W214 AromaticContact CE2-NE1 3.33Å; F209-W214 VanDerWaalsContact CE2-NE1 3.33Å
210E91.8Very high94.6Very high160 Ų16050.6 Ų50.675%0.74823%0.232SC*.G310 helixtrans-63.8-23.6178.9-59.6-176.3176.800113.8N208 W445N208-E210 PolarHBondContact O-N 2.68Å; E210-W445 VanDerWaalsContact O-CH2 3.28Å; E210-W445 WeakPolarHBondContact O-CH2 3.06Å; E210-W445 WeakPolarHBondContact O-CZ2 3.24Å
211N94.8Very high94.6Very high32 Ų3249.5 Ų49.517%0.17123%0.227CC..G310 helixtrans-93.31.1178.1-6169.1000112.4P91 Y92 I93 N208 F209 W445P91-N211 WeakPolarHBondContact O-CB 3.18Å; Y92-N211 WeakPolarHBondContact CA-O 3.47Å; Y92-N211 HydrophobicContact CD1-CB 4.06Å; Y92-N211 HydrophobicContact CE1-CB 4.39Å; Y92-N211 VanDerWaalsContact CE1-ND2 3.32Å; Y92-N211 WeakPolarHBondContact CE1-ND2 3.46Å; I93-N211 PolarHBondContact N-O 2.58Å; N208-N211 HydrophobicContact CB-CB 4.35Å; N208-N211 PolarHBondContact O-N 3.35Å; F209-N211 PolarHBondContact O-N 3.31Å; N211-W445 PolarHBondContact O-NE1 3.45Å
212I94.9Very high94.6Very high16 Ų1652.5 Ų52.58%0.08224%0.238CC..EExtended strand (participates in β ladder)trans-109.3127.4-179.2-56.6173.4000109.7I93 K95 N208 F209 W214I93-I212 HydrophobicContact CD1-CD1 4.11Å; I93-I212 HydrophobicContact CD1-CG1 3.83Å; I93-I212 HydrophobicContact CG1-CB 4.3Å; I93-I212 HydrophobicContact CG1-CD1 4.48Å; I93-I212 HydrophobicContact CG1-CG1 3.65Å; I93-I212 HydrophobicContact CG1-CG2 4.26Å; I93-I212 CarbonylContact O-C 3.36Å; I93-I212 WeakPolarHBondContact O-CA 3.4Å; K95-I212 HydrophobicContact CB-CG2 3.66Å; N208-I212 WeakPolarHBondContact O-CG1 3.1Å; N208-I212 PolarHBondContact O-N 2.71Å; F209-I212 PolarHBondContact O-N 2.8Å; F209-I212 VanDerWaalsContact O-N 3.08Å; I212-W214 HydrophobicContact CB-CZ2 4.31Å; I212-W214 HydrophobicContact CD1-CH2 4.45Å; I212-W214 HydrophobicContact CD1-CZ2 3.81Å; I212-W214 HydrophobicContact CG2-CD2 3.74Å; I212-W214 VanDerWaalsContact CG2-CE2 3.45Å; I212-W214 HydrophobicContact CG2-CE3 4.38Å; I212-W214 HydrophobicContact CG2-CG 4Å; I212-W214 HydrophobicContact CG2-CZ2 3.92Å
213K96.8Very high94.5Very high24 Ų2447.5 Ų47.510%0.10422%0.219CC..EExtended strand (participates in β ladder)trans-93.9117.3159.9-60-52.3-177.1174.30109I93 V94 K95 G252 G253 C314 F315 W445I93-K213 PolarHBondContact O-N 3.05Å; V94-K213 CarbonylContact C-O 3.39Å; V94-K213 VanDerWaalsContact CA-O 3.32Å; V94-K213 WeakPolarHBondContact CA-O 3.46Å; V94-K213 HydrophobicContact CG2-CB 4.22Å; K95-K213 PolarHBondContact N-O 3.24Å; K213-G252 PolarHBondContact NZ-O 3.27Å; K213-G253 CarbonylContact C-O 3.58Å; K213-G253 WeakPolarHBondContact CA-O 3.26Å; K213-C314 HydrophobicContact CD-CB 4.26Å; K213-C314 WeakPolarHBondContact CE-O 3.39Å; K213-C314 HydrophobicContact CG-CB 4.49Å; K213-C314 PolarHBondContact NZ-O 2.72Å; K213-F315 HydrophobicContact CG-CD1 4.26Å; K213-F315 HydrophobicContact CG-CE1 4.03Å; K213-W445 HydrophobicContact CD-CD2 4.29Å; K213-W445 HydrophobicContact CD-CH2 4.45Å; K213-W445 HydrophobicContact CD-CZ2 4.01Å; K213-W445 VanDerWaalsContact CE-CH2 3.5Å; K213-W445 HydrophobicContact CG-CD2 3.9Å; K213-W445 HydrophobicContact CG-CG 3.92Å; K213-W445 HydrophobicContact CG-CZ2 4.25Å
214W97.1Very high94.4Very high0 Ų044.5 Ų44.50%021%0.205CC..EExtended strand (participates in β ladder)trans-90.3138.1-178.8-62.290.5000110.3K95 I97 L201 Y205 F209 I212 G253 L254 A255K95-W214 HydrophobicContact CB-CE3 4.14Å; K95-W214 HydrophobicContact CB-CZ3 4.34Å; K95-W214 HydrophobicContact CD-CE3 4.22Å; K95-W214 HydrophobicContact CD-CH2 3.84Å; K95-W214 HydrophobicContact CD-CZ3 3.56Å; K95-W214 HydrophobicContact CG-CE3 4.14Å; K95-W214 HydrophobicContact CG-CZ3 3.92Å; K95-W214 WeakPolarHBondContact O-CA 3.35Å; I97-W214 HydrophobicContact CD1-CE3 4.07Å; I97-W214 HydrophobicContact CG2-CE3 3.71Å; I97-W214 HydrophobicContact CG2-CZ3 3.66Å; L201-W214 HydrophobicContact CD1-CB 4.33Å; L201-W214 HydrophobicContact CD1-CD2 4.21Å; L201-W214 HydrophobicContact CD1-CE3 4.46Å; L201-W214 HydrophobicContact CD1-CG 4.15Å; L201-W214 HydrophobicContact CD2-CE3 4.48Å; L201-W214 HydrophobicContact CD2-CZ3 4.45Å; Y205-W214 AromaticContact CD2-CH2 3.42Å; Y205-W214 HydrophobicContact CD2-CH2 3.42Å; Y205-W214 VanDerWaalsContact CD2-CH2 3.42Å; Y205-W214 AromaticContact CD2-CZ2 3.98Å; Y205-W214 HydrophobicContact CD2-CZ2 3.98Å; Y205-W214 HydrophobicContact CD2-CZ3 4.13Å; Y205-W214 AromaticContact CE2-CH2 3.97Å; Y205-W214 HydrophobicContact CE2-CH2 3.97Å; Y205-W214 HydrophobicContact CE2-CZ3 4.28Å; Y205-W214 AromaticContact CG-CH2 3.81Å; Y205-W214 HydrophobicContact CG-CH2 3.81Å; Y205-W214 HydrophobicContact CG-CZ2 4.25Å; F209-W214 HydrophobicContact CD2-CZ2 4.32Å; F209-W214 AromaticContact CD2-NE1 3.5Å; F209-W214 AromaticContact CE2-CD1 3.91Å; F209-W214 AromaticContact CE2-NE1 3.33Å; F209-W214 VanDerWaalsContact CE2-NE1 3.33Å; I212-W214 HydrophobicContact CB-CZ2 4.31Å; I212-W214 HydrophobicContact CD1-CH2 4.45Å; I212-W214 HydrophobicContact CD1-CZ2 3.81Å; I212-W214 HydrophobicContact CG2-CD2 3.74Å; I212-W214 VanDerWaalsContact CG2-CE2 3.45Å; I212-W214 HydrophobicContact CG2-CE3 4.38Å; I212-W214 HydrophobicContact CG2-CG 4Å; I212-W214 HydrophobicContact CG2-CZ2 3.92Å; W214-G253 PolarHBondContact N-O 3.16Å; W214-L254 HydrophobicContact CB-CD1 3.61Å; W214-L254 WeakPolarHBondContact O-CA 3.06Å; W214-A255 PolarHBondContact O-N 2.77Å
215I98Very high94Very high0 Ų042.7 Ų42.70%020%0.202CC..EExtended strand (participates in β ladder)trans-120102.3170.2-50.2176.7000107V94 K95 P96 I97 I129 F217 A255 L257 V307 L311V94-I215 HydrophobicContact CG1-CD1 3.52Å; V94-I215 HydrophobicContact CG1-CG1 3.96Å; K95-I215 PolarHBondContact O-N 3.12Å; P96-I215 CarbonylContact C-O 3.15Å; P96-I215 WeakPolarHBondContact CA-O 3.19Å; I97-I215 PolarHBondContact N-O 3.39Å; I129-I215 HydrophobicContact CD1-CD1 3.66Å; I129-I215 HydrophobicContact CD1-CG2 4.45Å; I129-I215 HydrophobicContact CG1-CD1 4.28Å; I129-I215 HydrophobicContact CG2-CD1 4.44Å; I215-F217 HydrophobicContact CB-CE2 4.38Å; I215-F217 HydrophobicContact CG2-CD2 4.22Å; I215-F217 HydrophobicContact CG2-CE2 3.47Å; I215-F217 VanDerWaalsContact CG2-CE2 3.47Å; I215-F217 HydrophobicContact CG2-CZ 4.03Å; I215-A255 CarbonylContact C-O 3.5Å; I215-A255 HydrophobicContact CG2-CB 4.35Å; I215-L257 HydrophobicContact CG2-CD1 3.51Å; I215-V307 HydrophobicContact CD1-CG1 4.47Å; I215-V307 HydrophobicContact CG2-CG1 3.99Å; I215-L311 HydrophobicContact CD1-CD1 3.97Å; I215-L311 HydrophobicContact CD1-CD2 4.16Å; I215-L311 HydrophobicContact CG1-CD1 4.2Å
216A98.2Very high93.5Very high0 Ų042.1 Ų42.10%021%0.207CC..EExtended strand (participates in β ladder)trans-97.7124.7-175.600000111.5I97 V99 L197 L254 A255 L256 L257I97-A216 HydrophobicContact CD1-CB 4.02Å; I97-A216 HydrophobicContact CG1-CB 3.85Å; V99-A216 HydrophobicContact CG2-CB 3.84Å; L197-A216 HydrophobicContact CD2-CB 3.73Å; A216-L254 HydrophobicContact CB-CD1 3.75Å; A216-A255 PolarHBondContact N-O 3Å; A216-L256 HydrophobicContact CB-CD1 4.18Å; A216-L257 PolarHBondContact O-N 2.93Å
217F98.5Very high92.7Very high4 Ų448 Ų482%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-108119.4173.2-69.2-97.4000109.8I97 Y98 V99 I125 I215 A219 L257 T259 W265 V307I97-F217 PolarHBondContact O-N 2.94Å; Y98-F217 HydrophobicContact CD2-CB 4.22Å; V99-F217 PolarHBondContact N-O 3.1Å; I125-F217 HydrophobicContact CB-CD2 4.47Å; I125-F217 HydrophobicContact CB-CE2 4.38Å; I125-F217 HydrophobicContact CD1-CB 3.62Å; I125-F217 HydrophobicContact CD1-CD1 4.22Å; I125-F217 HydrophobicContact CD1-CD2 3.71Å; I125-F217 HydrophobicContact CD1-CE2 4.39Å; I125-F217 HydrophobicContact CD1-CG 3.59Å; I125-F217 HydrophobicContact CG1-CB 4.47Å; I125-F217 HydrophobicContact CG1-CD1 4.19Å; I125-F217 HydrophobicContact CG1-CD2 3.9Å; I125-F217 HydrophobicContact CG1-CE1 4.36Å; I125-F217 HydrophobicContact CG1-CE2 4.09Å; I125-F217 HydrophobicContact CG1-CG 3.94Å; I125-F217 HydrophobicContact CG1-CZ 4.3Å; I125-F217 HydrophobicContact CG2-CD2 3.7Å; I125-F217 HydrophobicContact CG2-CE2 3.43Å; I125-F217 VanDerWaalsContact CG2-CE2 3.43Å; I125-F217 HydrophobicContact CG2-CZ 4.11Å; I215-F217 HydrophobicContact CB-CE2 4.38Å; I215-F217 HydrophobicContact CG2-CD2 4.22Å; I215-F217 HydrophobicContact CG2-CE2 3.47Å; I215-F217 VanDerWaalsContact CG2-CE2 3.47Å; I215-F217 HydrophobicContact CG2-CZ 4.03Å; F217-A219 PolarHBondContact O-N 3.49Å; F217-L257 WeakPolarHBondContact CA-O 3.41Å; F217-L257 HydrophobicContact CD1-CB 4.08Å; F217-L257 HydrophobicContact CE1-CB 4.21Å; F217-T259 HydrophobicContact CB-CG2 3.84Å; F217-W265 AromaticContact CE1-CH2 3.79Å; F217-W265 HydrophobicContact CE1-CH2 3.79Å; F217-W265 HydrophobicContact CE1-CZ2 4.42Å; F217-W265 HydrophobicContact CE1-CZ3 4.45Å; F217-W265 AromaticContact CZ-CH2 3.96Å; F217-W265 HydrophobicContact CZ-CH2 3.96Å; F217-W265 HydrophobicContact CZ-CZ3 4.41Å; F217-V307 HydrophobicContact CE1-CG2 3.98Å; F217-V307 HydrophobicContact CZ-CG1 4.13Å; F217-V307 HydrophobicContact CZ-CG2 3.83Å
218M98.2Very high91.8Very high0 Ų046.9 Ų46.90%023%0.227CC..EExtended strand (participates in β ladder)trans-80.5114-177-61.2-57.9-68.800111.2V99 V185 L197 C220 T221 F247 L256 L257 T259V99-M218 HydrophobicContact CB-CE 4.42Å; V99-M218 HydrophobicContact CB-SD 3.65Å; V99-M218 HydrophobicContact CG1-CE 3.91Å; V99-M218 HydrophobicContact CG1-SD 3.69Å; V99-M218 HydrophobicContact CG2-SD 4.14Å; V185-M218 HydrophobicContact CG1-CE 4.19Å; V185-M218 HydrophobicContact CG2-CE 3.94Å; L197-M218 HydrophobicContact CD2-SD 4.28Å; M218-C220 PolarHBondContact O-N 3.33Å; M218-T221 PolarHBondContact O-N 3.42Å; M218-T221 PolarHBondContact O-OG1 2.76Å; M218-F247 HydrophobicContact CB-CD2 4.39Å; M218-F247 HydrophobicContact CB-CE2 4.37Å; M218-F247 HydrophobicContact CG-CD2 3.8Å; M218-F247 HydrophobicContact CG-CE2 3.86Å; M218-L256 HydrophobicContact CG-CD1 3.64Å; M218-L256 HydrophobicContact SD-CD1 3.66Å; M218-L257 PolarHBondContact N-O 2.63Å; M218-T259 WeakPolarHBondContact O-CG2 3.46Å; M218-T259 PolarHBondContact O-OG1 3.2Å
219A97.8Very high90.8Very high0 Ų048.9 Ų48.90%024%0.236CC..THydrogen-bonded Turntrans-60.4-29.1179.200000113.1Y98 V99 I100 F217 T221 R222Y98-A219 HydrophobicContact CD1-CB 4.45Å; Y98-A219 HydrophobicContact CE1-CB 3.64Å; Y98-A219 HydrophobicContact CE2-CB 3.9Å; Y98-A219 WeakPolarHBondContact OH-CA 3.13Å; Y98-A219 VanDerWaalsContact OH-CB 3.23Å; Y98-A219 WeakPolarHBondContact OH-CB 3.35Å; V99-A219 WeakPolarHBondContact O-CB 3.46Å; V99-A219 PolarHBondContact O-N 2.74Å; I100-A219 HydrophobicContact CG1-CB 4.25Å; F217-A219 PolarHBondContact O-N 3.49Å; A219-T221 VanDerWaalsContact C-N 3.29Å; A219-T221 PolarHBondContact O-N 3.31Å; A219-R222 PolarHBondContact O-NH1 3.15Å
220C97.6Very high89.2Confident7 Ų751.7 Ų51.75%0.04725%0.253CS..THydrogen-bonded Turntrans-82.15.1-175610000114.8C101 D104 K182 M218 R222C101-C220 VanDerWaalsContact SG-SG 3.61Å; D104-C220 WeakPolarHBondContact OD2-CA 3.14Å; D104-C220 VanDerWaalsContact OD2-CB 3.26Å; D104-C220 WeakPolarHBondContact OD2-CB 3.32Å; K182-C220 HydrophobicContact CD-CB 4.29Å; K182-C220 HydrophobicContact CG-CB 3.8Å; M218-C220 PolarHBondContact O-N 3.33Å; C220-R222 PolarHBondContact O-N 3.36Å
221T97.6Very high87.6Confident1 Ų149.8 Ų49.81%0.00626%0.257CS..  trans-59.6125.4173.5-51.20000110.4M218 A219 T243 T244 A245 H246 G258 T259M218-T221 PolarHBondContact O-N 3.42Å; M218-T221 PolarHBondContact O-OG1 2.76Å; A219-T221 VanDerWaalsContact C-N 3.29Å; A219-T221 PolarHBondContact O-N 3.31Å; T221-T243 HydrophobicContact CG2-CG2 3.96Å; T221-T244 VanDerWaalsContact CA-O 3.31Å; T221-T244 WeakPolarHBondContact CA-O 2.98Å; T221-A245 WeakPolarHBondContact CB-O 3.48Å; T221-A245 PolarHBondContact OG1-O 3.31Å; T221-H246 HydrophobicContact CG2-CB 3.97Å; T221-G258 WeakPolarHBondContact OG1-CA 3.1Å; T221-T259 WeakPolarHBondContact CB-OG1 3.45Å; T221-T259 PolarHBondContact OG1-N 3.22Å; T221-T259 PolarHBondContact OG1-OG1 2.79Å
222R96.6Very high86.2Confident62 Ų6254.3 Ų54.323%0.23428%0.277CS..EExtended strand (participates in β ladder)trans-140125.3179.6-64.9-65.4-179.9-85.4-5.3110.8W107 A219 C220 H224 T243 T244W107-R222 PolarHBondContact O-NH1 2.77Å; W107-R222 PolarHBondContact O-NH2 3.05Å; A219-R222 PolarHBondContact O-NH1 3.15Å; C220-R222 PolarHBondContact O-N 3.36Å; R222-H224 PolarHBondContact O-CD2 2.92Å; R222-H224 PolarHBondContact O-NE2 3.41Å; R222-T243 CarbonylContact O-C 3.57Å; R222-T243 VanDerWaalsContact O-CA 3.31Å; R222-T243 WeakPolarHBondContact O-CA 3.39Å; R222-T244 PolarHBondContact N-O 3.34Å; R222-T244 PolarHBondContact O-N 2.97Å; R222-T244 PolarHBondContact O-OG1 3.47Å
223Y95.4Very high85.2Confident16 Ų1660.5 Ų60.56%0.06330%0.304CS..EExtended strand (participates in β ladder)trans-83.6132.3163.2-179-100.4000109.8Q109 P225 L234 I239 R242 T243 L286 M287Q109-Y223 PolarHBondContact NE2-O 3.16Å; Y223-P225 HydrophobicContact CD1-CB 4.45Å; Y223-P225 HydrophobicContact CE1-CB 3.98Å; Y223-P225 WeakPolarHBondContact O-CD 3.35Å; Y223-L234 WeakPolarHBondContact OH-CD1 3.33Å; Y223-I239 HydrophobicContact CD2-CG2 4.45Å; Y223-I239 HydrophobicContact CE2-CG2 4.23Å; Y223-R242 HydrophobicContact CD2-CB 4.11Å; Y223-R242 HydrophobicContact CE2-CB 3.66Å; Y223-T243 WeakPolarHBondContact CD2-OG1 2.8Å; Y223-L286 VanDerWaalsContact CD1-C 3.47Å; Y223-L286 WeakPolarHBondContact CD1-O 3.1Å; Y223-M287 HydrophobicContact CD2-CB 4.18Å; Y223-M287 HydrophobicContact CD2-CG 4.22Å; Y223-M287 HydrophobicContact CG-CB 4.17Å
224H93.7Very high84.4Confident93 Ų9360.5 Ų60.543%0.43131%0.305SS..  trans-109.398.4-179.3-57.6-72.8000108.6R222 R242 T244R222-H224 PolarHBondContact O-CD2 2.92Å; R222-H224 PolarHBondContact O-NE2 3.41Å; H224-R242 PolarHBondContact CD2-O 3Å; H224-R242 PolarHBondContact N-O 3.47Å; H224-T244 WeakPolarHBondContact NE2-CG2 3.34Å; H224-T244 PolarHBondContact NE2-OG1 3.04Å
225P86.8Confident83.8Confident59 Ų5962.2 Ų62.238%0.38332%0.317SS..  trans-64.4148.8179.326.3-33.3000111.1Y223Y223-P225 HydrophobicContact CD1-CB 4.45Å; Y223-P225 HydrophobicContact CE1-CB 3.98Å; Y223-P225 WeakPolarHBondContact O-CD 3.35Å
226S81.3Confident83.1Confident46 Ų4666.3 Ų66.332%0.32233%0.333SS..  trans-69.5142.6172.6161.50000110.3K228S226-K228 CarbonylContact O-C 3.57Å; S226-K228 PolarHBondContact O-N 2.95Å; S226-K228 PolarHBondContact OG-N 3.33Å; S226-K228 PolarHBondContact OG-O 3.09Å
227E74.3Confident82.6Confident201 Ų20171.8 Ų71.894%0.93936%0.362SS*.SBendtrans-54.4-36.4173.4-65.5-175.5168.500112I229E227-I229 PolarHBondContact O-N 3.22Å
228K69.2Low82.1Confident161 Ų16175.3 Ų75.370%0.738%0.379SS*.SBendtrans-86.995.6168.2-63.4-178.5-176.4178.20107.7S226 N230S226-K228 CarbonylContact O-C 3.57Å; S226-K228 PolarHBondContact O-N 2.95Å; S226-K228 PolarHBondContact OG-N 3.33Å; S226-K228 PolarHBondContact OG-O 3.09Å; K228-N230 PolarHBondContact O-N 2.93Å
229I59.8Low81.7Confident107 Ų10775.8 Ų75.855%0.54938%0.381SS..  trans-70.577.5164.9-53.4174000106.7E227 P284E227-I229 PolarHBondContact O-N 3.22Å; I229-P284 HydrophobicContact CG2-CB 3.74Å; I229-P284 HydrophobicContact CG2-CG 4.25Å
230N55.1Low81.3Confident97 Ų9778.4 Ų78.452%0.51940%0.395SS..  trans-79.6138.4160.9-79.25.5000106.8K228 E232K228-N230 PolarHBondContact O-N 2.93Å; N230-E232 HydrophobicContact CB-CB 4.41Å; N230-E232 HydrophobicContact CB-CG 3.98Å; N230-E232 PolarHBondContact ND2-OE1 2.92Å; N230-E232 PolarHBondContact O-N 2.9Å
231S58Low80.9Confident119 Ų11985.4 Ų85.483%0.83243%0.431SS*.  trans-68.531.6174.6740000112.8F233S231-F233 PolarHBondContact O-N 3.47Å
232E65.4Low80.7Confident127 Ų12789.3 Ų89.359%0.59345%0.446SS*.  trans-77.8121.9-178-77.1171-14700108.9N230 L234N230-E232 HydrophobicContact CB-CB 4.41Å; N230-E232 HydrophobicContact CB-CG 3.98Å; N230-E232 PolarHBondContact ND2-OE1 2.92Å; N230-E232 PolarHBondContact O-N 2.9Å; E232-L234 PolarHBondContact O-N 3.03Å
233F73.7Confident80.6Confident146 Ų14687.1 Ų87.164%0.6444%0.439SS*.  trans-65.8106.8170-62.5-63.5000108.9S231 H294S231-F233 PolarHBondContact O-N 3.47Å; F233-H294 AromaticContact CD1-CD2 3.84Å; F233-H294 AromaticContact CD1-CE1 3.19Å; F233-H294 WeakPolarHBondContact CD1-CE1 3.48Å; F233-H294 AromaticContact CD1-CG 3.95Å; F233-H294 AromaticContact CD1-ND1 3.56Å; F233-H294 AromaticContact CD1-NE2 3.36Å; F233-H294 WeakPolarHBondContact CD1-NE2 3.48Å; F233-H294 HydrophobicContact CE1-CB 4.44Å; F233-H294 AromaticContact CE1-CD2 3.52Å; F233-H294 AromaticContact CE1-CE1 3.69Å; F233-H294 AromaticContact CE1-CG 3.65Å; F233-H294 AromaticContact CE1-ND1 3.74Å; F233-H294 AromaticContact CE1-NE2 3.56Å
234L80.7Confident80.5Confident25 Ų2588.7 Ų88.713%0.13145%0.451CS..  trans-71.8145.9178.1-60.7177.6000110.4Y223 E232 E238 I239Y223-L234 WeakPolarHBondContact OH-CD1 3.33Å; E232-L234 PolarHBondContact O-N 3.03Å; L234-E238 HydrophobicContact CB-CB 4.04Å; L234-E238 HydrophobicContact CD2-CB 4.28Å; L234-I239 HydrophobicContact CB-CD1 4.39Å; L234-I239 HydrophobicContact CB-CG1 3.76Å; L234-I239 HydrophobicContact CD1-CG1 4.23Å
235S84.5Confident80.5Confident36 Ų3684.8 Ų84.825%0.25243%0.434SS..  trans-66.4155.316366.60000110.5N237 E238 I239S235-N237 PolarHBondContact O-N 2.91Å; S235-E238 VanDerWaalsContact CB-OE2 3.27Å; S235-E238 WeakPolarHBondContact CB-OE2 3.29Å; S235-E238 PolarHBondContact N-OE2 3.45Å; S235-E238 WeakPolarHBondContact O-CB 3.47Å; S235-E238 PolarHBondContact O-N 2.88Å; S235-E238 VanDerWaalsContact OG-CD 3.27Å; S235-E238 WeakPolarHBondContact OG-CG 3.49Å; S235-E238 PolarHBondContact OG-N 2.84Å; S235-E238 PolarHBondContact OG-OE2 2.83Å; S235-I239 WeakPolarHBondContact O-CG1 3.35Å; S235-I239 PolarHBondContact O-N 2.81Å
236Y83.6Confident80.8Confident86 Ų8683.5 Ų83.534%0.33742%0.423SS..Hα-helixtrans-54-40177.2-177.4-112.3000113.1E238 I239 L240 Y292Y236-E238 VanDerWaalsContact C-N 3.33Å; Y236-E238 PolarHBondContact O-N 3.2Å; Y236-I239 WeakPolarHBondContact O-CB 3.43Å; Y236-I239 PolarHBondContact O-N 2.92Å; Y236-L240 HydrophobicContact CD1-CD1 3.94Å; Y236-L240 HydrophobicContact CD1-CG 4.27Å; Y236-L240 HydrophobicContact CE1-CD1 3.43Å; Y236-L240 VanDerWaalsContact CE1-CD1 3.43Å; Y236-L240 HydrophobicContact CE1-CD2 4.35Å; Y236-L240 HydrophobicContact CE1-CG 3.9Å; Y236-L240 HydrophobicContact CE2-CD2 4.29Å; Y236-L240 HydrophobicContact CE2-CG 4.32Å; Y236-L240 WeakPolarHBondContact O-CG 3.14Å; Y236-L240 PolarHBondContact O-N 3.4Å; Y236-Y292 PolarHBondContact N-OH 2.72Å
237N86.1Confident81.3Confident114 Ų11481.9 Ų81.961%0.6141%0.411SS*.Hα-helixtrans-62.5-38.5176-72.4-20000112.4S235 I239 L240 L241S235-N237 PolarHBondContact O-N 2.91Å; N237-I239 VanDerWaalsContact C-N 3.34Å; N237-L240 PolarHBondContact O-N 3.3Å; N237-L241 WeakPolarHBondContact O-CB 3.42Å; N237-L241 VanDerWaalsContact O-CG 3.26Å; N237-L241 WeakPolarHBondContact O-CG 3.42Å; N237-L241 PolarHBondContact O-N 3.2Å
238E89Confident82.2Confident78 Ų7874.8 Ų74.836%0.36439%0.386SS..Hα-helixtrans-68.5-34.4175.6-71.6162.3135.400111.9L234 S235 Y236 R242L234-E238 HydrophobicContact CB-CB 4.04Å; L234-E238 HydrophobicContact CD2-CB 4.28Å; S235-E238 VanDerWaalsContact CB-OE2 3.27Å; S235-E238 WeakPolarHBondContact CB-OE2 3.29Å; S235-E238 PolarHBondContact N-OE2 3.45Å; S235-E238 WeakPolarHBondContact O-CB 3.47Å; S235-E238 PolarHBondContact O-N 2.88Å; S235-E238 VanDerWaalsContact OG-CD 3.27Å; S235-E238 WeakPolarHBondContact OG-CG 3.49Å; S235-E238 PolarHBondContact OG-N 2.84Å; S235-E238 PolarHBondContact OG-OE2 2.83Å; Y236-E238 VanDerWaalsContact C-N 3.33Å; Y236-E238 PolarHBondContact O-N 3.2Å; E238-R242 WeakPolarHBondContact O-CG 2.68Å; E238-R242 PolarHBondContact O-N 2.79Å
239I89.3Confident83.4Confident10 Ų1069 Ų695%0.05136%0.363CS..Hα-helixtrans-64.5-47172.8-62.3171.5000110Y223 L234 S235 Y236 N237 L241 R242 T243 M287 D288Y223-I239 HydrophobicContact CD2-CG2 4.45Å; Y223-I239 HydrophobicContact CE2-CG2 4.23Å; L234-I239 HydrophobicContact CB-CD1 4.39Å; L234-I239 HydrophobicContact CB-CG1 3.76Å; L234-I239 HydrophobicContact CD1-CG1 4.23Å; S235-I239 WeakPolarHBondContact O-CG1 3.35Å; S235-I239 PolarHBondContact O-N 2.81Å; Y236-I239 WeakPolarHBondContact O-CB 3.43Å; Y236-I239 PolarHBondContact O-N 2.92Å; N237-I239 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 3.19Å; I239-R242 CarbonylContact O-C 3.46Å; I239-R242 PolarHBondContact O-N 3.11Å; I239-R242 VanDerWaalsContact O-N 3.08Å; I239-T243 PolarHBondContact O-N 3.4Å; I239-T243 VanDerWaalsContact O-N 3.16Å; I239-T243 PolarHBondContact O-OG1 2.85Å; I239-M287 HydrophobicContact CG2-CE 3.68Å; I239-M287 HydrophobicContact CG2-CG 3.62Å; I239-D288 HydrophobicContact CD1-CB 4.42Å; I239-D288 WeakPolarHBondContact CD1-O 3.22Å
240L89.5Confident85.1Confident56 Ų5664.3 Ų64.329%0.29334%0.341SS..Hα-helixtrans-61.1-42.7177.5-72-176000112.4Y236 N237 R242 T243 M287Y236-L240 HydrophobicContact CD1-CD1 3.94Å; Y236-L240 HydrophobicContact CD1-CG 4.27Å; Y236-L240 HydrophobicContact CE1-CD1 3.43Å; Y236-L240 VanDerWaalsContact CE1-CD1 3.43Å; Y236-L240 HydrophobicContact CE1-CD2 4.35Å; Y236-L240 HydrophobicContact CE1-CG 3.9Å; Y236-L240 HydrophobicContact CE2-CD2 4.29Å; Y236-L240 HydrophobicContact CE2-CG 4.32Å; Y236-L240 WeakPolarHBondContact O-CG 3.14Å; Y236-L240 PolarHBondContact O-N 3.4Å; N237-L240 PolarHBondContact O-N 3.3Å; L240-R242 PolarHBondContact O-N 2.98Å; L240-R242 VanDerWaalsContact O-N 3.15Å; L240-T243 PolarHBondContact O-N 2.8Å; L240-T243 VanDerWaalsContact O-O 3.12Å; L240-M287 HydrophobicContact CD2-CE 4.28Å
241L90.1Very high87Confident154 Ų15463.1 Ų63.181%0.80634%0.337SS*.Hα-helixtrans-61.6-22.6176.1-73.7171.1000113.2N237 I239N237-L241 WeakPolarHBondContact O-CB 3.42Å; N237-L241 VanDerWaalsContact O-CG 3.26Å; N237-L241 WeakPolarHBondContact O-CG 3.42Å; N237-L241 PolarHBondContact O-N 3.2Å; I239-L241 PolarHBondContact O-N 3.19Å
242R92Very high88.6Confident82 Ų8259.5 Ų59.531%0.30932%0.319SS..THydrogen-bonded Turntrans-96.30.9175.4-67.6-178.1-170.8-169.43.8113.4Y223 H224 E238 I239 L240Y223-R242 HydrophobicContact CD2-CB 4.11Å; Y223-R242 HydrophobicContact CE2-CB 3.66Å; H224-R242 PolarHBondContact CD2-O 3Å; H224-R242 PolarHBondContact N-O 3.47Å; E238-R242 WeakPolarHBondContact O-CG 2.68Å; E238-R242 PolarHBondContact O-N 2.79Å; I239-R242 CarbonylContact O-C 3.46Å; I239-R242 PolarHBondContact O-N 3.11Å; I239-R242 VanDerWaalsContact O-N 3.08Å; L240-R242 PolarHBondContact O-N 2.98Å; L240-R242 VanDerWaalsContact O-N 3.15Å
243T94.4Very high90.1Very high16 Ų1654.4 Ų54.410%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-117.3119.6-176-46.90000110.7T221 R222 Y223 I239 L240 H246 M287T221-T243 HydrophobicContact CG2-CG2 3.96Å; R222-T243 CarbonylContact O-C 3.57Å; R222-T243 VanDerWaalsContact O-CA 3.31Å; R222-T243 WeakPolarHBondContact O-CA 3.39Å; Y223-T243 WeakPolarHBondContact CD2-OG1 2.8Å; I239-T243 PolarHBondContact O-N 3.4Å; I239-T243 VanDerWaalsContact O-N 3.16Å; I239-T243 PolarHBondContact O-OG1 2.85Å; L240-T243 PolarHBondContact O-N 2.8Å; L240-T243 VanDerWaalsContact O-O 3.12Å; T243-H246 HydrophobicContact CG2-CB 3.57Å; T243-M287 HydrophobicContact CG2-CE 4.4Å; T243-M287 HydrophobicContact CG2-SD 3.89Å
244T95Very high91.2Very high49 Ų4947.6 Ų47.630%0.30127%0.27SS..EExtended strand (participates in β ladder)trans-87.2145.8170.852.90000110.5T221 R222 H224 H246T221-T244 VanDerWaalsContact CA-O 3.31Å; T221-T244 WeakPolarHBondContact CA-O 2.98Å; R222-T244 PolarHBondContact N-O 3.34Å; R222-T244 PolarHBondContact O-N 2.97Å; R222-T244 PolarHBondContact O-OG1 3.47Å; H224-T244 WeakPolarHBondContact NE2-CG2 3.34Å; H224-T244 PolarHBondContact NE2-OG1 3.04Å; T244-H246 PolarHBondContact O-N 2.96Å
245A93.7Very high92Very high11 Ų1146.4 Ų46.49%0.09126%0.264CS..SBendtrans55.434.9174.600000114.1V185 T221 F247V185-A245 HydrophobicContact CG1-CB 3.53Å; T221-A245 WeakPolarHBondContact CB-O 3.48Å; T221-A245 PolarHBondContact OG1-O 3.31Å; A245-F247 VanDerWaalsContact C-CE2 3.41Å; A245-F247 VanDerWaalsContact CA-CE2 3.49Å; A245-F247 HydrophobicContact CB-CE2 3.86Å; A245-F247 HydrophobicContact CB-CZ 4.26Å; A245-F247 WeakPolarHBondContact O-CD2 3.45Å; A245-F247 WeakPolarHBondContact O-CE2 3.26Å
246H91.6Very high92.7Very high33 Ų3344.7 Ų44.715%0.15325%0.252CS..  trans-96.8128.7169.2-17783000109.5T221 T243 T244 D289T221-H246 HydrophobicContact CG2-CB 3.97Å; T243-H246 HydrophobicContact CG2-CB 3.57Å; T244-H246 PolarHBondContact O-N 2.96Å; H246-D289 IonicContact CE1-OD2 3.61Å
247F92.9Very high93.4Very high12 Ų1240.9 Ų40.95%0.05324%0.237CC..  trans-137.3150.3-173.9-52.4-74.8000109.5V185 P190 V193 M218 A245 L256 L257 G258V185-F247 HydrophobicContact CG1-CE2 3.72Å; V185-F247 HydrophobicContact CG1-CZ 3.57Å; P190-F247 HydrophobicContact CB-CD1 3.77Å; P190-F247 HydrophobicContact CB-CE1 4.16Å; P190-F247 HydrophobicContact CG-CD1 3.97Å; P190-F247 HydrophobicContact CG-CE1 4.18Å; V193-F247 HydrophobicContact CB-CE1 4.44Å; V193-F247 HydrophobicContact CB-CZ 4.33Å; V193-F247 HydrophobicContact CG1-CE2 4.46Å; V193-F247 HydrophobicContact CG1-CZ 4.14Å; V193-F247 HydrophobicContact CG2-CE1 4.41Å; V193-F247 HydrophobicContact CG2-CZ 4.19Å; M218-F247 HydrophobicContact CB-CD2 4.39Å; M218-F247 HydrophobicContact CB-CE2 4.37Å; M218-F247 HydrophobicContact CG-CD2 3.8Å; M218-F247 HydrophobicContact CG-CE2 3.86Å; A245-F247 VanDerWaalsContact C-CE2 3.41Å; A245-F247 VanDerWaalsContact CA-CE2 3.49Å; A245-F247 HydrophobicContact CB-CE2 3.86Å; A245-F247 HydrophobicContact CB-CZ 4.26Å; A245-F247 WeakPolarHBondContact O-CD2 3.45Å; A245-F247 WeakPolarHBondContact O-CE2 3.26Å; F247-L256 CarbonylContact C-O 3.6Å; F247-L256 HydrophobicContact CB-CD2 4.13Å; F247-L256 HydrophobicContact CB-CG 3.86Å; F247-L256 WeakPolarHBondContact CB-O 3.34Å; F247-L256 HydrophobicContact CD1-CD2 4.05Å; F247-L256 HydrophobicContact CD2-CD1 4.49Å; F247-L256 HydrophobicContact CD2-CD2 4.11Å; F247-L256 HydrophobicContact CD2-CG 4.07Å; F247-L256 HydrophobicContact CG-CD2 3.82Å; F247-L256 HydrophobicContact CG-CG 3.95Å; F247-L257 CarbonylContact O-C 3.52Å; F247-L257 VanDerWaalsContact O-CA 3.3Å; F247-L257 WeakPolarHBondContact O-CA 2.76Å; F247-G258 PolarHBondContact O-N 3.49Å
248A92.1Very high93.9Very high51 Ų5135.9 Ų35.942%0.42121%0.213SC..EExtended strand (participates in β ladder)trans-148.583.2165.800000105.8E310A248-E310 VanDerWaalsContact C-CD 3.48Å
249L95.7Very high94.3Very high41 Ų4132.3 Ų32.322%0.21520%0.197CC..EExtended strand (participates in β ladder)trans-141.6109.9-174.1177.762.7000111P190 E191 W194 L256P190-L249 HydrophobicContact CB-CD2 4.17Å; E191-L249 HydrophobicContact CG-CD2 4.34Å; W194-L249 HydrophobicContact CB-CD2 3.93Å; W194-L249 HydrophobicContact CG-CD2 4.13Å; L249-L256 PolarHBondContact N-O 3.16Å; L249-L256 PolarHBondContact O-N 2.93Å
250G94.7Very high94.6Very high8 Ų832 Ų328%0.08220%0.196CC..EExtended strand (participates in β ladder)trans-113.2126.8174.600000111.2E310 H313G250-E310 WeakPolarHBondContact CA-OE2 3.41Å; G250-E310 PolarHBondContact N-OE2 3Å; G250-H313 WeakPolarHBondContact O-CB 3.3Å
251T94.7Very high95Very high71 Ų7129.6 Ų29.644%0.43618%0.184SC..EExtended strand (participates in β ladder)trans-159.3156.2169.3-173.70000110.1W194 G253 L254W194-T251 HydrophobicContact CD2-CG2 4.18Å; W194-T251 HydrophobicContact CH2-CG2 3.96Å; W194-T251 HydrophobicContact CZ2-CG2 3.49Å; W194-T251 VanDerWaalsContact CZ2-CG2 3.49Å; W194-T251 WeakPolarHBondContact CZ2-O 3.32Å; W194-T251 HydrophobicContact CZ3-CG2 4.44Å; T251-G253 PolarHBondContact O-N 2.88Å; T251-L254 PolarHBondContact N-O 3.36Å; T251-L254 PolarHBondContact O-N 3.05Å; T251-L254 VanDerWaalsContact O-O 3.11Å
252G92.5Very high95.3Very high44 Ų4422.4 Ų22.445%0.45415%0.146SC..THydrogen-bonded Turntrans52.7-111.7178.800000112.9K213K213-G252 PolarHBondContact NZ-O 3.27Å
253G95.5Very high95.6Very high20 Ų2018.7 Ų18.721%0.20613%0.132CC..THydrogen-bonded Turntrans-106.13.8-178.100000115.5K213 W214 T251K213-G253 CarbonylContact C-O 3.58Å; K213-G253 WeakPolarHBondContact CA-O 3.26Å; W214-G253 PolarHBondContact N-O 3.16Å; T251-G253 PolarHBondContact O-N 2.88Å
254L98Very high95.7Very high2 Ų218.2 Ų18.21%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-139.9124.2-170173.465.4000111.7W194 L197 A198 L201 W214 A216 T251W194-L254 HydrophobicContact CD2-CD2 4.32Å; W194-L254 HydrophobicContact CG-CD2 4.2Å; W194-L254 HydrophobicContact CZ2-CB 3.86Å; W194-L254 PolarHBondContact NE1-O 3.24Å; L197-L254 HydrophobicContact CB-CD2 4.46Å; L197-L254 HydrophobicContact CD2-CD2 4.3Å; L197-L254 HydrophobicContact CG-CD2 4.35Å; A198-L254 HydrophobicContact CB-CD2 3.99Å; L201-L254 HydrophobicContact CD1-CD1 4.13Å; W214-L254 HydrophobicContact CB-CD1 3.61Å; W214-L254 WeakPolarHBondContact O-CA 3.06Å; A216-L254 HydrophobicContact CB-CD1 3.75Å; T251-L254 PolarHBondContact N-O 3.36Å; T251-L254 PolarHBondContact O-N 3.05Å; T251-L254 VanDerWaalsContact O-O 3.11Å
255A98.2Very high95.8Very high0 Ų016 Ų160%012%0.116CC..EExtended strand (participates in β ladder)trans-97.4122.9163.200000109W214 I215 A216 L257 E310 C314W214-A255 PolarHBondContact O-N 2.77Å; I215-A255 CarbonylContact C-O 3.5Å; I215-A255 HydrophobicContact CG2-CB 4.35Å; A216-A255 PolarHBondContact N-O 3Å; A255-L257 HydrophobicContact CB-CD1 3.89Å; A255-E310 HydrophobicContact CB-CB 3.7Å; A255-C314 PolarHBondContact N-SG 3.32Å; A255-C314 VanDerWaalsContact N-SG 3.4Å
256L98.5Very high95.9Very high0 Ų015.6 Ų15.60%011%0.112CC..EExtended strand (participates in β ladder)trans-107.9120.3178.3-179.867.7000109.7V193 W194 L197 A216 M218 F247 L249V193-L256 HydrophobicContact CB-CD2 4.3Å; V193-L256 HydrophobicContact CG1-CD2 3.96Å; W194-L256 HydrophobicContact CB-CD2 3.99Å; L197-L256 HydrophobicContact CD2-CD1 3.86Å; A216-L256 HydrophobicContact CB-CD1 4.18Å; M218-L256 HydrophobicContact CG-CD1 3.64Å; M218-L256 HydrophobicContact SD-CD1 3.66Å; F247-L256 CarbonylContact C-O 3.6Å; F247-L256 HydrophobicContact CB-CD2 4.13Å; F247-L256 HydrophobicContact CB-CG 3.86Å; F247-L256 WeakPolarHBondContact CB-O 3.34Å; F247-L256 HydrophobicContact CD1-CD2 4.05Å; F247-L256 HydrophobicContact CD2-CD1 4.49Å; F247-L256 HydrophobicContact CD2-CD2 4.11Å; F247-L256 HydrophobicContact CD2-CG 4.07Å; F247-L256 HydrophobicContact CG-CD2 3.82Å; F247-L256 HydrophobicContact CG-CG 3.95Å; L249-L256 PolarHBondContact N-O 3.16Å; L249-L256 PolarHBondContact O-N 2.93Å
257L98Very high96Very high6 Ų616.5 Ų16.53%0.03112%0.117CC..EExtended strand (participates in β ladder)trans-129.4148-174.6-61.8105.4000112.5I215 A216 F217 M218 F247 A255 V307 E310I215-L257 HydrophobicContact CG2-CD1 3.51Å; A216-L257 PolarHBondContact O-N 2.93Å; F217-L257 WeakPolarHBondContact CA-O 3.41Å; F217-L257 HydrophobicContact CD1-CB 4.08Å; F217-L257 HydrophobicContact CE1-CB 4.21Å; M218-L257 PolarHBondContact N-O 2.63Å; F247-L257 CarbonylContact O-C 3.52Å; F247-L257 VanDerWaalsContact O-CA 3.3Å; F247-L257 WeakPolarHBondContact O-CA 2.76Å; A255-L257 HydrophobicContact CB-CD1 3.89Å; L257-V307 HydrophobicContact CD2-CB 4.04Å; L257-V307 HydrophobicContact CD2-CG2 3.51Å; L257-E310 HydrophobicContact CD2-CG 4.32Å; L257-E310 HydrophobicContact CG-CG 4.48Å
258G97.1Very high95.9Very high10 Ų1018.3 Ų18.310%0.10313%0.127CC..EExtended strand (participates in β ladder)trans-80.5162166.500000112.9T221 F247T221-G258 WeakPolarHBondContact OG1-CA 3.1Å; F247-G258 PolarHBondContact O-N 3.49Å
259T97.5Very high96Very high2 Ų215.9 Ų15.91%0.01211%0.107CC..  trans-100.414.7178.852.80000113.5Y98 F217 M218 T221 T261 L262Y98-T259 HydrophobicContact CD2-CG2 4.41Å; Y98-T259 HydrophobicContact CE2-CG2 3.83Å; F217-T259 HydrophobicContact CB-CG2 3.84Å; M218-T259 WeakPolarHBondContact O-CG2 3.46Å; M218-T259 PolarHBondContact O-OG1 3.2Å; T221-T259 WeakPolarHBondContact CB-OG1 3.45Å; T221-T259 PolarHBondContact OG1-N 3.22Å; T221-T259 PolarHBondContact OG1-OG1 2.79Å; T259-T261 VanDerWaalsContact C-N 3.25Å; T259-T261 PolarHBondContact O-N 3.03Å; T259-T261 VanDerWaalsContact O-N 3.13Å; T259-L262 HydrophobicContact CG2-CD2 4.07Å; T259-L262 VanDerWaalsContact O-CB 3.25Å; T259-L262 WeakPolarHBondContact O-CB 3.03Å; T259-L262 PolarHBondContact O-N 2.88Å
260G95.9Very high95.8Very high3 Ų317.7 Ų17.73%0.03111%0.114CC..THydrogen-bonded Turntrans-57.1-32-171.200000114.9H263G260-H263 PolarHBondContact O-CE1 3.42Å; G260-H263 PolarHBondContact O-ND1 2.93Å; G260-H263 VanDerWaalsContact O-ND1 3.14Å
261T96.5Very high95.8Very high7 Ų720 Ų204%0.04312%0.124CC..THydrogen-bonded Turntrans-102.80.3178.5590000113.7T259 H263 A264 W265 D289 A299 G303T259-T261 VanDerWaalsContact C-N 3.25Å; T259-T261 PolarHBondContact O-N 3.03Å; T259-T261 VanDerWaalsContact O-N 3.13Å; T261-H263 PolarHBondContact O-N 3.49Å; T261-H263 VanDerWaalsContact O-N 3.13Å; T261-A264 WeakPolarHBondContact O-CB 3.45Å; T261-A264 PolarHBondContact O-N 3.47Å; T261-W265 PolarHBondContact O-NE1 3.45Å; T261-W265 PolarHBondContact OG1-NE1 2.84Å; T261-D289 HydrophobicContact CG2-CB 3.69Å; T261-A299 WeakPolarHBondContact CB-O 3.31Å; T261-A299 HydrophobicContact CG2-CB 4.17Å; T261-G303 WeakPolarHBondContact OG1-CA 3.48Å
262L97.3Very high95.8Very high2 Ų216.6 Ų16.61%0.0110%0.103CC..G310 helixtrans-60.9-31.2-170-171.960.8000112.7Y98 F108 A121 R124 I125 T259 A264 W265Y98-L262 HydrophobicContact CE2-CD2 4.35Å; F108-L262 HydrophobicContact CB-CD2 4.38Å; F108-L262 HydrophobicContact CD1-CD2 4.19Å; F108-L262 HydrophobicContact CD2-CB 4.3Å; F108-L262 HydrophobicContact CD2-CD2 4.44Å; F108-L262 HydrophobicContact CD2-CG 4.49Å; F108-L262 HydrophobicContact CG-CD2 4.1Å; A121-L262 HydrophobicContact CB-CD2 3.77Å; R124-L262 HydrophobicContact CB-CD1 3.67Å; R124-L262 HydrophobicContact CB-CG 4.33Å; R124-L262 WeakPolarHBondContact CD-O 3.46Å; I125-L262 HydrophobicContact CD1-CD2 4.31Å; I125-L262 HydrophobicContact CG1-CD1 3.9Å; I125-L262 HydrophobicContact CG1-CD2 4.38Å; T259-L262 HydrophobicContact CG2-CD2 4.07Å; T259-L262 VanDerWaalsContact O-CB 3.25Å; T259-L262 WeakPolarHBondContact O-CB 3.03Å; T259-L262 PolarHBondContact O-N 2.88Å; L262-A264 PolarHBondContact O-N 3.36Å; L262-A264 VanDerWaalsContact O-N 3.14Å; L262-W265 HydrophobicContact CD1-CB 4.4Å; L262-W265 HydrophobicContact CD1-CD2 3.93Å; L262-W265 HydrophobicContact CD1-CE3 3.98Å; L262-W265 HydrophobicContact CD1-CG 4.14Å; L262-W265 HydrophobicContact CD1-CZ3 4.5Å; L262-W265 WeakPolarHBondContact O-CB 3.3Å; L262-W265 PolarHBondContact O-N 3.24Å
263H96.9Very high95.8Very high4 Ų417.1 Ų17.12%0.0199%0.094CC..G310 helixtrans-59.4-22.1174.563.9-99.5000113.8F108 A110 M114 R124 G260 T261 Y296F108-H263 HydrophobicContact CD2-CB 4.44Å; F108-H263 HydrophobicContact CE2-CB 3.98Å; A110-H263 HydrophobicContact CB-CB 4.11Å; M114-H263 WeakPolarHBondContact CE-O 3.29Å; M114-H263 HydrophobicContact SD-CB 3.94Å; R124-H263 PolarHBondContact NH1-O 3.49Å; R124-H263 VanDerWaalsContact NH1-O 3.16Å; G260-H263 PolarHBondContact O-CE1 3.42Å; G260-H263 PolarHBondContact O-ND1 2.93Å; G260-H263 VanDerWaalsContact O-ND1 3.14Å; T261-H263 PolarHBondContact O-N 3.49Å; T261-H263 VanDerWaalsContact O-N 3.13Å; H263-Y296 AromaticContact CD2-CD1 3.92Å; H263-Y296 AromaticContact CD2-CE1 3.53Å; H263-Y296 AromaticContact NE2-CE1 3.71Å
264A97.2Very high95.6Very high6 Ų622.2 Ų22.25%0.0512%0.116CC..G310 helixtrans-87.5-9.4178.400000113.2T261 L262 V275 Y296 A299 F300T261-A264 WeakPolarHBondContact O-CB 3.45Å; T261-A264 PolarHBondContact O-N 3.47Å; L262-A264 PolarHBondContact O-N 3.36Å; L262-A264 VanDerWaalsContact O-N 3.14Å; A264-V275 WeakPolarHBondContact O-CG1 3.46Å; A264-Y296 HydrophobicContact CB-CD1 4.11Å; A264-Y296 WeakPolarHBondContact CB-O 3.32Å; A264-A299 HydrophobicContact CB-CB 3.77Å; A264-F300 HydrophobicContact CB-CB 4.22Å
265W97.4Very high95.5Very high4 Ų422.9 Ų22.92%0.01512%0.12CC..SBendtrans-85.5149.9-174.1-65.432000111.4R124 F217 T261 L262 F300 L304 V307R124-W265 HydrophobicContact CB-CB 4.07Å; R124-W265 HydrophobicContact CG-CB 4.35Å; R124-W265 PolarHBondContact NH1-O 2.88Å; F217-W265 AromaticContact CE1-CH2 3.79Å; F217-W265 HydrophobicContact CE1-CH2 3.79Å; F217-W265 HydrophobicContact CE1-CZ2 4.42Å; F217-W265 HydrophobicContact CE1-CZ3 4.45Å; F217-W265 AromaticContact CZ-CH2 3.96Å; F217-W265 HydrophobicContact CZ-CH2 3.96Å; F217-W265 HydrophobicContact CZ-CZ3 4.41Å; T261-W265 PolarHBondContact O-NE1 3.45Å; T261-W265 PolarHBondContact OG1-NE1 2.84Å; L262-W265 HydrophobicContact CD1-CB 4.4Å; L262-W265 HydrophobicContact CD1-CD2 3.93Å; L262-W265 HydrophobicContact CD1-CE3 3.98Å; L262-W265 HydrophobicContact CD1-CG 4.14Å; L262-W265 HydrophobicContact CD1-CZ3 4.5Å; L262-W265 WeakPolarHBondContact O-CB 3.3Å; L262-W265 PolarHBondContact O-N 3.24Å; W265-F300 HydrophobicContact CB-CD2 4.05Å; W265-F300 HydrophobicContact CB-CE2 4.32Å; W265-F300 AromaticContact CD1-CD2 3.59Å; W265-F300 AromaticContact CD2-CD2 4Å; W265-F300 HydrophobicContact CD2-CD2 4Å; W265-F300 HydrophobicContact CD2-CE2 4.16Å; W265-F300 AromaticContact CG-CD2 3.59Å; W265-F300 HydrophobicContact CG-CD2 3.59Å; W265-F300 HydrophobicContact CG-CE2 4.05Å; W265-F300 AromaticContact NE1-CD2 3.99Å; W265-L304 HydrophobicContact CE3-CD1 4.5Å; W265-L304 HydrophobicContact CH2-CD1 3.98Å; W265-L304 HydrophobicContact CZ2-CB 4.49Å; W265-L304 HydrophobicContact CZ3-CD1 3.96Å; W265-V307 HydrophobicContact CH2-CG2 3.61Å; W265-V307 HydrophobicContact CZ2-CG2 4.04Å
266P95.9Very high95.2Very high2 Ų223.7 Ų23.71%0.01313%0.125CC..  trans-71.4146.8176.328.9-31.4000111.8R124 L127 D271 L272 V275 F300R124-P266 WeakPolarHBondContact CA-O 3.03Å; R124-P266 WeakPolarHBondContact CG-O 3.26Å; L127-P266 HydrophobicContact CD2-CB 3.95Å; L127-P266 HydrophobicContact CD2-CG 3.73Å; L127-P266 HydrophobicContact CG-CG 4.48Å; P266-D271 HydrophobicContact CB-CB 3.78Å; P266-L272 HydrophobicContact CG-CD1 3.94Å; P266-V275 HydrophobicContact CB-CB 4.42Å; P266-V275 HydrophobicContact CB-CG2 3.99Å; P266-F300 HydrophobicContact CG-CZ 4.18Å
267E92.7Very high94.8Very high52 Ų5225.3 Ų25.324%0.24314%0.141CC..SBendtrans-82.7-31.8173.6-80.7-173.1-152.900112.7S120 K123 R124S120-E267 WeakPolarHBondContact CB-OE1 3.47Å; S120-E267 VanDerWaalsContact OG-CD 3.26Å; S120-E267 PolarHBondContact OG-OE1 3.4Å; K123-E267 HydrophobicContact CB-CB 4.45Å; R124-E267 HydrophobicContact CG-CB 4.48Å; R124-E267 HydrophobicContact CG-CG 3.68Å; R124-E267 IonicContact CZ-OE1 3.45Å; R124-E267 IonicContact NE-OE1 2.81Å; R124-E267 PolarHBondContact NE-OE1 2.84Å; R124-E267 IonicContact NH2-OE1 3.56Å; R124-E267 PolarHBondContact NH2-OE1 3.19Å
268N92.4Very high94.5Very high50 Ų5026.4 Ų26.427%0.26715%0.147SC..SBendtrans-141.7168.5-17755.463.5000109.5L127 E270 D271L127-N268 WeakPolarHBondContact CD2-O 3.16Å; N268-E270 WeakPolarHBondContact CB-OE2 3.42Å; N268-E270 PolarHBondContact O-N 3.29Å; N268-E270 WeakPolarHBondContact OD1-CB 3.4Å; N268-E270 PolarHBondContact OD1-N 3.49Å; N268-E270 PolarHBondContact OD1-OE2 3.5Å; N268-D271 VanDerWaalsContact CG-OD2 3.28Å; N268-D271 PolarHBondContact ND2-OD2 3Å; N268-D271 PolarHBondContact O-N 2.93Å; N268-D271 PolarHBondContact OD1-N 3.05Å; N268-D271 PolarHBondContact OD1-OD2 3.15Å
269L92.8Very high94.2Very high0 Ų027.9 Ų27.90%015%0.154CC..G310 helixtrans-65-33.3-175-176.958000112.2L17 W45 M47 W49 F59 P61 D271 L272L17-L269 HydrophobicContact CD1-CD1 4.28Å; L17-L269 HydrophobicContact CD1-CD2 3.78Å; W45-L269 HydrophobicContact CH2-CD2 4.35Å; W45-L269 HydrophobicContact CZ2-CD2 3.7Å; W45-L269 HydrophobicContact CZ2-CG 4.48Å; M47-L269 HydrophobicContact SD-CD2 4.5Å; M47-L269 HydrophobicContact SD-CG 4.13Å; W49-L269 HydrophobicContact CH2-CD1 4.34Å; W49-L269 HydrophobicContact CZ2-CD1 4.48Å; F59-L269 HydrophobicContact CB-CD1 3.76Å; F59-L269 HydrophobicContact CB-CD2 4.48Å; P61-L269 HydrophobicContact CG-CD2 4.42Å; L269-D271 PolarHBondContact O-N 3.26Å; L269-L272 HydrophobicContact CD1-CB 4.45Å; L269-L272 HydrophobicContact CD1-CD2 4.05Å; L269-L272 WeakPolarHBondContact O-CB 3.34Å; L269-L272 PolarHBondContact O-N 3.04Å
270E92.5Very high93.9Very high78 Ų7835.8 Ų35.836%0.36418%0.184SC..G310 helixtrans-63.2-29179.7-62.171.7-162.900111.9W45 M47 S165 N268 L272W45-E270 PolarHBondContact NE1-OE1 2.98Å; M47-E270 HydrophobicContact SD-CB 4.39Å; M47-E270 HydrophobicContact SD-CG 3.9Å; S165-E270 VanDerWaalsContact CB-OE1 3.3Å; S165-E270 WeakPolarHBondContact CB-OE1 3.16Å; N268-E270 WeakPolarHBondContact CB-OE2 3.42Å; N268-E270 PolarHBondContact O-N 3.29Å; N268-E270 WeakPolarHBondContact OD1-CB 3.4Å; N268-E270 PolarHBondContact OD1-N 3.49Å; N268-E270 PolarHBondContact OD1-OE2 3.5Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.28Å
271D93.9Very high93.6Very high56 Ų5642.5 Ų42.530%0.29921%0.212SC..G310 helixtrans-77.8-10.6175.6-66.8-35.7000113.8P266 N268 L269 E273 L274 V275P266-D271 HydrophobicContact CB-CB 3.78Å; N268-D271 VanDerWaalsContact CG-OD2 3.28Å; N268-D271 PolarHBondContact ND2-OD2 3Å; N268-D271 PolarHBondContact O-N 2.93Å; N268-D271 PolarHBondContact OD1-N 3.05Å; N268-D271 PolarHBondContact OD1-OD2 3.15Å; L269-D271 PolarHBondContact O-N 3.26Å; D271-E273 PolarHBondContact O-N 3.2Å; D271-L274 PolarHBondContact O-N 3.4Å; D271-V275 WeakPolarHBondContact O-CG2 3.33Å; D271-V275 PolarHBondContact O-N 3Å
272L94.6Very high93.3Very high0 Ų042.9 Ų42.90%021%0.214CC..Hα-helixtrans-64-47.8-166.9-178.160.2000113.1W49 F59 L131 P266 L269 E270 L274 V275 L276 F300W49-L272 HydrophobicContact CH2-CD2 4.04Å; W49-L272 HydrophobicContact CZ3-CD2 4.4Å; F59-L272 HydrophobicContact CD2-CD2 3.65Å; F59-L272 HydrophobicContact CE2-CD2 3.94Å; F59-L272 HydrophobicContact CG-CD2 4.29Å; L131-L272 HydrophobicContact CD1-CD1 4.06Å; L131-L272 HydrophobicContact CD2-CD2 3.93Å; P266-L272 HydrophobicContact CG-CD1 3.94Å; L269-L272 HydrophobicContact CD1-CB 4.45Å; L269-L272 HydrophobicContact CD1-CD2 4.05Å; L269-L272 WeakPolarHBondContact O-CB 3.34Å; L269-L272 PolarHBondContact O-N 3.04Å; E270-L272 VanDerWaalsContact C-N 3.32Å; E270-L272 PolarHBondContact O-N 3.28Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 PolarHBondContact O-N 3.17Å; L272-V275 PolarHBondContact O-N 3.42Å; L272-L276 HydrophobicContact CD1-CD1 3.89Å; L272-L276 HydrophobicContact CD1-CG 4.01Å; L272-L276 HydrophobicContact CG-CD1 3.83Å; L272-L276 HydrophobicContact CG-CG 4.37Å; L272-L276 WeakPolarHBondContact O-CB 3.44Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.39Å; L272-L276 PolarHBondContact O-N 2.74Å; L272-F300 HydrophobicContact CD1-CE1 3.88Å; L272-F300 HydrophobicContact CD1-CZ 4.17Å
273E92.2Very high93Very high56 Ų5645.6 Ų45.626%0.26223%0.229SC..Hα-helixtrans-62.9-39.4178.6-73.9-152.3115.200111.8W49 T50 D271 L276 G277W49-E273 WeakPolarHBondContact CA-OE2 3.49Å; W49-E273 HydrophobicContact CD2-CG 4.38Å; W49-E273 HydrophobicContact CE3-CG 3.53Å; W49-E273 HydrophobicContact CZ3-CG 3.66Å; T50-E273 WeakPolarHBondContact CB-OE1 3.11Å; T50-E273 PolarHBondContact N-OE1 2.81Å; T50-E273 PolarHBondContact N-OE2 3.21Å; T50-E273 PolarHBondContact OG1-OE1 3.45Å; D271-E273 PolarHBondContact O-N 3.2Å; E273-L276 PolarHBondContact O-N 2.76Å; E273-G277 PolarHBondContact O-N 2.81Å
274L93.1Very high92.6Very high126 Ų12649.1 Ų49.166%0.6625%0.253SS*.Hα-helixtrans-62.5-45.5177.7-177.9118.2000111.2D271 L272 G277 N278D271-L274 PolarHBondContact O-N 3.4Å; L272-L274 VanDerWaalsContact C-N 3.3Å; L272-L274 PolarHBondContact O-N 3.17Å; L274-G277 PolarHBondContact O-N 3.01Å; L274-N278 PolarHBondContact O-N 3.27Å; L274-N278 VanDerWaalsContact O-N 3.12Å
275V94.7Very high92.2Very high17 Ų1751.5 Ų51.510%0.10327%0.267CS..Hα-helixtrans-65.9-44.3177.6166.30000111.7A264 P266 D271 L272 G277 N278 W297 F300A264-V275 WeakPolarHBondContact O-CG1 3.46Å; P266-V275 HydrophobicContact CB-CB 4.42Å; P266-V275 HydrophobicContact CB-CG2 3.99Å; D271-V275 WeakPolarHBondContact O-CG2 3.33Å; D271-V275 PolarHBondContact O-N 3Å; L272-V275 PolarHBondContact O-N 3.42Å; V275-G277 PolarHBondContact O-N 2.95Å; V275-N278 PolarHBondContact O-N 2.96Å; V275-W297 WeakPolarHBondContact O-CB 3.47Å; V275-F300 HydrophobicContact CG1-CB 4.08Å; V275-F300 HydrophobicContact CG1-CD1 3.57Å; V275-F300 HydrophobicContact CG1-CE1 4.19Å; V275-F300 HydrophobicContact CG1-CG 3.94Å
276L92Very high92.1Very high17 Ų1751.5 Ų51.59%0.08927%0.267CS..Hα-helixtrans-64.5-27.5177.2-71.7173000112.5L272 E273 W297 F300 N332 L335L272-L276 HydrophobicContact CD1-CD1 3.89Å; L272-L276 HydrophobicContact CD1-CG 4.01Å; L272-L276 HydrophobicContact CG-CD1 3.83Å; L272-L276 HydrophobicContact CG-CG 4.37Å; L272-L276 WeakPolarHBondContact O-CB 3.44Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.39Å; L272-L276 PolarHBondContact O-N 2.74Å; E273-L276 PolarHBondContact O-N 2.76Å; L276-W297 WeakPolarHBondContact O-CB 3.33Å; L276-F300 HydrophobicContact CD2-CD1 4.04Å; L276-F300 HydrophobicContact CD2-CE1 3.87Å; L276-F300 HydrophobicContact CG-CE1 4.42Å; L276-N332 HydrophobicContact CD2-CB 4.21Å; L276-L335 HydrophobicContact CD1-CB 4Å; L276-L335 HydrophobicContact CD2-CB 4.09Å; L276-L335 HydrophobicContact CD2-CD1 4.05Å
277G90.4Very high91.9Very high34 Ų3451.5 Ų51.535%0.35127%0.266SS..THydrogen-bonded Turntrans-89.7-4.9176.700000115.4E273 L274 V275 T279E273-G277 PolarHBondContact O-N 2.81Å; L274-G277 PolarHBondContact O-N 3.01Å; V275-G277 PolarHBondContact O-N 2.95Å; G277-T279 PolarHBondContact O-N 3.07Å
278N92.4Very high91.8Very high28 Ų2850.9 Ų50.915%0.1527%0.265CS..  trans-77.389.2-172-175.23.5000112.4L274 V275 R280 Y296 W297L274-N278 PolarHBondContact O-N 3.27Å; L274-N278 VanDerWaalsContact O-N 3.12Å; V275-N278 PolarHBondContact O-N 2.96Å; N278-R280 VanDerWaalsContact C-N 3.3Å; N278-R280 PolarHBondContact ND2-NH2 3.43Å; N278-R280 VanDerWaalsContact ND2-NH2 3.17Å; N278-R280 PolarHBondContact O-N 3.04Å; N278-R280 WeakPolarHBondContact OD1-CB 3.43Å; N278-R280 WeakPolarHBondContact OD1-CG 3.35Å; N278-R280 PolarHBondContact OD1-N 2.98Å; N278-R280 PolarHBondContact OD1-NE 3.09Å; N278-Y296 VanDerWaalsContact ND2-CB 3.34Å; N278-Y296 WeakPolarHBondContact ND2-CB 3.34Å; N278-W297 PolarHBondContact O-N 2.77Å; N278-W297 VanDerWaalsContact O-N 3.09Å
279T90.2Very high91.7Very high42 Ų4249.3 Ų49.326%0.25826%0.256SS..  trans-83.87.2178.755.80000114.6G277 T295 P339 D341G277-T279 PolarHBondContact O-N 3.07Å; T279-T295 VanDerWaalsContact O-CG2 3.26Å; T279-T295 WeakPolarHBondContact O-CG2 3.46Å; T279-P339 HydrophobicContact CG2-CB 3.53Å; T279-P339 HydrophobicContact CG2-CG 4.25Å; T279-D341 HydrophobicContact CG2-CB 4.14Å
280R90.5Very high91.5Very high167 Ų16749.3 Ų49.363%0.6326%0.256SS*.SBendtrans-63.5145.1172.7-64.1-179.8-65.3165.6-0.7110N278 T295 Y296N278-R280 VanDerWaalsContact C-N 3.3Å; N278-R280 PolarHBondContact ND2-NH2 3.43Å; N278-R280 VanDerWaalsContact ND2-NH2 3.17Å; N278-R280 PolarHBondContact O-N 3.04Å; N278-R280 WeakPolarHBondContact OD1-CB 3.43Å; N278-R280 WeakPolarHBondContact OD1-CG 3.35Å; N278-R280 PolarHBondContact OD1-N 2.98Å; N278-R280 PolarHBondContact OD1-NE 3.09Å; R280-T295 VanDerWaalsContact O-CA 3.28Å; R280-T295 WeakPolarHBondContact O-CA 3.43Å; R280-Y296 HydrophobicContact CB-CD2 4.05Å; R280-Y296 HydrophobicContact CB-CE2 4.38Å; R280-Y296 WeakPolarHBondContact O-CD2 3.34Å; R280-Y296 PolarHBondContact O-N 3.47Å; R280-Y296 VanDerWaalsContact O-N 3.17Å
281F90.4Very high91.2Very high145 Ų14547.2 Ų47.264%0.63625%0.253SS*.BIsolated β-bridgetrans-64.3142.2173.4-75.7-83.1000110.9D283 H294 Y296F281-D283 PolarHBondContact O-N 2.91Å; F281-H294 CarbonylContact C-O 3.53Å; F281-H294 WeakPolarHBondContact CA-O 3.27Å; F281-H294 HydrophobicContact CD1-CB 3.65Å; F281-H294 WeakPolarHBondContact CD1-O 3.45Å; F281-H294 HydrophobicContact CE1-CB 3.85Å; F281-Y296 WeakPolarHBondContact O-CE2 3.37Å
282V90.6Very high90.6Very high14 Ų1450.2 Ų50.29%0.08526%0.261CS..PPolyproline II helixtrans-62.1133.9172.71780000108.6L286 T290 H294 A299V282-L286 HydrophobicContact CG1-CB 4.05Å; V282-T290 HydrophobicContact CG2-CG2 3.8Å; V282-H294 PolarHBondContact N-O 2.87Å; V282-A299 HydrophobicContact CG2-CB 4.44Å
283D90.5Very high90.2Very high59 Ų5951 Ų5132%0.31626%0.264SS..PPolyproline II helixtrans-58.3131.3177.2-169.3-60.8000110.5F281 T285 L286 Y296F281-D283 PolarHBondContact O-N 2.91Å; D283-T285 VanDerWaalsContact CG-OG1 3.29Å; D283-T285 PolarHBondContact O-N 3.35Å; D283-T285 VanDerWaalsContact OD1-CB 3.27Å; D283-T285 WeakPolarHBondContact OD1-CB 3.03Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.48Å; D283-T285 PolarHBondContact OD1-N 3.32Å; D283-T285 PolarHBondContact OD1-OG1 3.12Å; D283-L286 HydrophobicContact CB-CD1 4Å; D283-L286 HydrophobicContact CB-CG 4.19Å; D283-L286 WeakPolarHBondContact O-CB 3.18Å; D283-L286 PolarHBondContact O-N 3.21Å; D283-Y296 PolarHBondContact N-OH 3.26Å
284P88.4Confident89.9Confident79 Ų7949.7 Ų49.751%0.51326%0.257SS..THydrogen-bonded Turntrans-58.9-15.5179.2-24.734.3000115.3I229 L286I229-P284 HydrophobicContact CG2-CB 3.74Å; I229-P284 HydrophobicContact CG2-CG 4.25Å; P284-L286 VanDerWaalsContact C-N 3.26Å
285T89.4Confident89.8Confident56 Ų5644.3 Ų44.334%0.34423%0.23SC..THydrogen-bonded Turntrans-79.3-7.2173.964.30000113.4Q109 D283Q109-T285 PolarHBondContact NE2-O 3.05Å; D283-T285 VanDerWaalsContact CG-OG1 3.29Å; D283-T285 PolarHBondContact O-N 3.35Å; D283-T285 VanDerWaalsContact OD1-CB 3.27Å; D283-T285 WeakPolarHBondContact OD1-CB 3.03Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.48Å; D283-T285 PolarHBondContact OD1-N 3.32Å; D283-T285 PolarHBondContact OD1-OG1 3.12Å
286L93.6Very high89.7Confident4 Ų444.5 Ų44.52%0.02123%0.229CC..SBendtrans-112.5163.3-178.7-59.2174.3000111.8Q109 P111 Y223 V282 D283 P284 D288 Y296Q109-L286 HydrophobicContact CG-CD2 3.8Å; P111-L286 HydrophobicContact CB-CD1 3.97Å; P111-L286 HydrophobicContact CG-CD1 4.23Å; Y223-L286 VanDerWaalsContact CD1-C 3.47Å; Y223-L286 WeakPolarHBondContact CD1-O 3.1Å; V282-L286 HydrophobicContact CG1-CB 4.05Å; D283-L286 HydrophobicContact CB-CD1 4Å; D283-L286 HydrophobicContact CB-CG 4.19Å; D283-L286 WeakPolarHBondContact O-CB 3.18Å; D283-L286 PolarHBondContact O-N 3.21Å; P284-L286 VanDerWaalsContact C-N 3.26Å; L286-D288 PolarHBondContact O-N 3.13Å; L286-Y296 HydrophobicContact CD1-CE1 4.42Å
287M93.2Very high89.8Confident1 Ų143.9 Ų43.91%0.00523%0.225CC..  trans-68.3121.7174.6-164.6-175.6178.200110.7Y223 I239 L240 T243 D289Y223-M287 HydrophobicContact CD2-CB 4.18Å; Y223-M287 HydrophobicContact CD2-CG 4.22Å; Y223-M287 HydrophobicContact CG-CB 4.17Å; I239-M287 HydrophobicContact CG2-CE 3.68Å; I239-M287 HydrophobicContact CG2-CG 3.62Å; L240-M287 HydrophobicContact CD2-CE 4.28Å; T243-M287 HydrophobicContact CG2-CE 4.4Å; T243-M287 HydrophobicContact CG2-SD 3.89Å; M287-D289 VanDerWaalsContact C-N 3.33Å; M287-D289 HydrophobicContact CE-CB 3.98Å; M287-D289 HydrophobicContact CG-CB 4.31Å; M287-D289 PolarHBondContact O-N 3.33Å; M287-D289 HydrophobicContact SD-CB 4.19Å
288D90.8Very high89.8Confident39 Ų3942.2 Ų42.221%0.20921%0.209CC..  trans-90.563.3175.2-171.54.5000112.1I239 L286 T290 H294I239-D288 HydrophobicContact CD1-CB 4.42Å; I239-D288 WeakPolarHBondContact CD1-O 3.22Å; L286-D288 PolarHBondContact O-N 3.13Å; D288-T290 PolarHBondContact O-N 2.89Å; D288-T290 VanDerWaalsContact O-N 3.08Å; D288-T290 VanDerWaalsContact OD1-CB 3.25Å; D288-T290 WeakPolarHBondContact OD1-CB 3.22Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.24Å; D288-T290 PolarHBondContact OD1-OG1 3Å; D288-H294 IonicContact OD1-ND1 3.36Å; D288-H294 IonicContact OD2-CE1 2.68Å; D288-H294 IonicContact OD2-CG 3.89Å; D288-H294 IonicContact OD2-ND1 3.66Å; D288-H294 PolarHBondContact OD2-ND1 3.14Å
289D90.5Very high89.9Confident17 Ų1740.9 Ų40.99%0.09120%0.201CC..  trans-85.863.5174.3-173.826000111.2H246 T261 M287 T302H246-D289 IonicContact CE1-OD2 3.61Å; T261-D289 HydrophobicContact CG2-CB 3.69Å; M287-D289 VanDerWaalsContact C-N 3.33Å; M287-D289 HydrophobicContact CE-CB 3.98Å; M287-D289 HydrophobicContact CG-CB 4.31Å; M287-D289 PolarHBondContact O-N 3.33Å; M287-D289 HydrophobicContact SD-CB 4.19Å; D289-T302 WeakPolarHBondContact O-CB 3.13Å; D289-T302 WeakPolarHBondContact O-CG2 3.45Å; D289-T302 PolarHBondContact O-OG1 2.96Å
290T88.1Confident90.1Very high0 Ų038.9 Ų38.90%019%0.189CC..SBendtrans-111.85.8-173.361.30000113.2V282 D288 Y292 R293 H294 T295 A298 A299V282-T290 HydrophobicContact CG2-CG2 3.8Å; D288-T290 PolarHBondContact O-N 2.89Å; D288-T290 VanDerWaalsContact O-N 3.08Å; D288-T290 VanDerWaalsContact OD1-CB 3.25Å; D288-T290 WeakPolarHBondContact OD1-CB 3.22Å; D288-T290 WeakPolarHBondContact OD1-CG2 3.24Å; D288-T290 PolarHBondContact OD1-OG1 3Å; T290-Y292 VanDerWaalsContact C-N 3.3Å; T290-Y292 PolarHBondContact O-N 3.44Å; T290-R293 WeakPolarHBondContact O-CB 3.32Å; T290-R293 VanDerWaalsContact O-CG 3.29Å; T290-R293 WeakPolarHBondContact O-CG 3.46Å; T290-R293 PolarHBondContact O-N 2.97Å; T290-R293 PolarHBondContact O-NE 3.28Å; T290-R293 PolarHBondContact O-NH2 3.29Å; T290-R293 PolarHBondContact OG1-N 3.08Å; T290-H294 WeakPolarHBondContact OG1-CA 3.49Å; T290-H294 PolarHBondContact OG1-N 3.1Å; T290-T295 WeakPolarHBondContact CG2-O 3.49Å; T290-A298 HydrophobicContact CG2-CB 4.26Å; T290-A299 HydrophobicContact CG2-CB 3.82Å
291A85.1Confident90.3Very high35 Ų3531 Ų3129%0.28916%0.159SC..SBendtrans52.446.8-16900000112.6R293 D329A291-R293 VanDerWaalsContact C-N 3.32Å; A291-R293 PolarHBondContact O-N 2.86Å; A291-D329 HydrophobicContact CB-CB 3.89Å
292Y82.9Confident90.4Very high119 Ų11924.8 Ų24.847%0.46713%0.133SC..SBendtrans65.527.6178.6-47.8-77.7000115Y236 T290 H294Y236-Y292 PolarHBondContact N-OH 2.72Å; T290-Y292 VanDerWaalsContact C-N 3.3Å; T290-Y292 PolarHBondContact O-N 3.44Å; Y292-H294 PolarHBondContact O-CD2 3.2Å; Y292-H294 PolarHBondContact O-NE2 3.32Å
293R84.7Confident90.6Very high16 Ų1624.3 Ų24.36%0.0613%0.132CC..  trans-104.8-13.9176.8-56-177.7-79.1-172.9-1.2112.6T290 A291 T295 A298 T302 D329 W425T290-R293 WeakPolarHBondContact O-CB 3.32Å; T290-R293 VanDerWaalsContact O-CG 3.29Å; T290-R293 WeakPolarHBondContact O-CG 3.46Å; T290-R293 PolarHBondContact O-N 2.97Å; T290-R293 PolarHBondContact O-NE 3.28Å; T290-R293 PolarHBondContact O-NH2 3.29Å; T290-R293 PolarHBondContact OG1-N 3.08Å; A291-R293 VanDerWaalsContact C-N 3.32Å; A291-R293 PolarHBondContact O-N 2.86Å; R293-T295 WeakPolarHBondContact O-CG2 3.23Å; R293-T295 PolarHBondContact O-N 2.98Å; R293-T295 PolarHBondContact O-OG1 3.27Å; R293-A298 HydrophobicContact CB-CB 3.49Å; R293-A298 VanDerWaalsContact CB-CB 3.49Å; R293-A298 HydrophobicContact CG-CB 4.28Å; R293-A298 PolarHBondContact NH2-O 3.13Å; R293-T302 PolarHBondContact NH2-OG1 2.76Å; R293-D329 PolarHBondContact NH1-O 3.19Å; R293-D329 PolarHBondContact NH2-O 3.15Å; R293-W425 HydrophobicContact CB-CZ2 3.76Å; R293-W425 HydrophobicContact CG-CH2 4.5Å; R293-W425 HydrophobicContact CG-CZ2 3.36Å; R293-W425 VanDerWaalsContact CG-NE1 3.35Å
294H87.2Confident90.9Very high28 Ų2821.5 Ų21.513%0.1312%0.117CC..  trans57.416.7167.5-49.4-62.7000115.5F233 F281 V282 D288 T290 Y292F233-H294 AromaticContact CD1-CD2 3.84Å; F233-H294 AromaticContact CD1-CE1 3.19Å; F233-H294 WeakPolarHBondContact CD1-CE1 3.48Å; F233-H294 AromaticContact CD1-CG 3.95Å; F233-H294 AromaticContact CD1-ND1 3.56Å; F233-H294 AromaticContact CD1-NE2 3.36Å; F233-H294 WeakPolarHBondContact CD1-NE2 3.48Å; F233-H294 HydrophobicContact CE1-CB 4.44Å; F233-H294 AromaticContact CE1-CD2 3.52Å; F233-H294 AromaticContact CE1-CE1 3.69Å; F233-H294 AromaticContact CE1-CG 3.65Å; F233-H294 AromaticContact CE1-ND1 3.74Å; F233-H294 AromaticContact CE1-NE2 3.56Å; F281-H294 CarbonylContact C-O 3.53Å; F281-H294 WeakPolarHBondContact CA-O 3.27Å; F281-H294 HydrophobicContact CD1-CB 3.65Å; F281-H294 WeakPolarHBondContact CD1-O 3.45Å; F281-H294 HydrophobicContact CE1-CB 3.85Å; V282-H294 PolarHBondContact N-O 2.87Å; D288-H294 IonicContact OD1-ND1 3.36Å; D288-H294 IonicContact OD2-CE1 2.68Å; D288-H294 IonicContact OD2-CG 3.89Å; D288-H294 IonicContact OD2-ND1 3.66Å; D288-H294 PolarHBondContact OD2-ND1 3.14Å; T290-H294 WeakPolarHBondContact OG1-CA 3.49Å; T290-H294 PolarHBondContact OG1-N 3.1Å; Y292-H294 PolarHBondContact O-CD2 3.2Å; Y292-H294 PolarHBondContact O-NE2 3.32Å
295T90.4Very high91.2Very high14 Ų1417.8 Ų17.89%0.0869%0.092CC..BIsolated β-bridgetrans-125.1151.9-171.243.20000111.8T279 R280 T290 R293 W297 A298 A299T279-T295 VanDerWaalsContact O-CG2 3.26Å; T279-T295 WeakPolarHBondContact O-CG2 3.46Å; R280-T295 VanDerWaalsContact O-CA 3.28Å; R280-T295 WeakPolarHBondContact O-CA 3.43Å; T290-T295 WeakPolarHBondContact CG2-O 3.49Å; R293-T295 WeakPolarHBondContact O-CG2 3.23Å; R293-T295 PolarHBondContact O-N 2.98Å; R293-T295 PolarHBondContact O-OG1 3.27Å; T295-W297 PolarHBondContact O-N 2.83Å; T295-W297 PolarHBondContact OG1-NE1 3.48Å; T295-A298 WeakPolarHBondContact O-CA 3.28Å; T295-A298 WeakPolarHBondContact O-CB 3.13Å; T295-A298 PolarHBondContact O-N 2.79Å; T295-A299 PolarHBondContact O-N 3.42Å
296Y93.1Very high91.5Very high20 Ų2016.5 Ų16.58%0.0789%0.087CC..Hα-helixtrans-61.2-42.9-176.4-79.7-79.6000113.4H263 A264 N278 R280 F281 D283 L286 A298 A299 F300H263-Y296 AromaticContact CD2-CD1 3.92Å; H263-Y296 AromaticContact CD2-CE1 3.53Å; H263-Y296 AromaticContact NE2-CE1 3.71Å; A264-Y296 HydrophobicContact CB-CD1 4.11Å; A264-Y296 WeakPolarHBondContact CB-O 3.32Å; N278-Y296 VanDerWaalsContact ND2-CB 3.34Å; N278-Y296 WeakPolarHBondContact ND2-CB 3.34Å; R280-Y296 HydrophobicContact CB-CD2 4.05Å; R280-Y296 HydrophobicContact CB-CE2 4.38Å; R280-Y296 WeakPolarHBondContact O-CD2 3.34Å; R280-Y296 PolarHBondContact O-N 3.47Å; R280-Y296 VanDerWaalsContact O-N 3.17Å; F281-Y296 WeakPolarHBondContact O-CE2 3.37Å; D283-Y296 PolarHBondContact N-OH 3.26Å; L286-Y296 HydrophobicContact CD1-CE1 4.42Å; Y296-A298 PolarHBondContact O-N 3Å; Y296-A299 PolarHBondContact O-N 2.98Å; Y296-A299 VanDerWaalsContact O-N 3.1Å; Y296-F300 PolarHBondContact O-N 2.92Å; Y296-F300 VanDerWaalsContact O-N 3.08Å
297W93.4Very high91.7Very high4 Ų416.3 Ų16.32%0.0159%0.087CC..Hα-helixtrans-56.9-35.5175.674.5-94.9000111.6V275 L276 N278 T295 A301 N332 P339 W425V275-W297 WeakPolarHBondContact O-CB 3.47Å; L276-W297 WeakPolarHBondContact O-CB 3.33Å; N278-W297 PolarHBondContact O-N 2.77Å; N278-W297 VanDerWaalsContact O-N 3.09Å; T295-W297 PolarHBondContact O-N 2.83Å; T295-W297 PolarHBondContact OG1-NE1 3.48Å; W297-A301 HydrophobicContact CE3-CB 4.4Å; W297-A301 HydrophobicContact CZ3-CB 4.41Å; W297-A301 WeakPolarHBondContact O-CB 3.39Å; W297-A301 PolarHBondContact O-N 3.26Å; W297-N332 HydrophobicContact CE3-CB 4.03Å; W297-N332 HydrophobicContact CZ3-CB 4.09Å; W297-N332 WeakPolarHBondContact CZ3-ND2 3.26Å; W297-N332 WeakPolarHBondContact CZ3-OD1 3.43Å; W297-P339 HydrophobicContact CD2-CG 3.64Å; W297-P339 HydrophobicContact CE3-CG 4.35Å; W297-P339 HydrophobicContact CG-CG 3.71Å; W297-P339 HydrophobicContact CZ2-CG 4.26Å; W297-W425 HydrophobicContact CH2-CH2 4.31Å; W297-W425 HydrophobicContact CH2-CZ3 4.47Å; W297-W425 AromaticContact CZ2-CH2 3.77Å; W297-W425 HydrophobicContact CZ2-CH2 3.77Å; W297-W425 HydrophobicContact CZ2-CZ2 4.29Å; W297-W425 HydrophobicContact CZ2-CZ3 4.16Å
298A90.2Very high91.9Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-75-34179.800000112.2T290 R293 T295 Y296 F300 A301 T302T290-A298 HydrophobicContact CG2-CB 4.26Å; R293-A298 HydrophobicContact CB-CB 3.49Å; R293-A298 VanDerWaalsContact CB-CB 3.49Å; R293-A298 HydrophobicContact CG-CB 4.28Å; R293-A298 PolarHBondContact NH2-O 3.13Å; T295-A298 WeakPolarHBondContact O-CA 3.28Å; T295-A298 WeakPolarHBondContact O-CB 3.13Å; T295-A298 PolarHBondContact O-N 2.79Å; Y296-A298 PolarHBondContact O-N 3Å; A298-F300 VanDerWaalsContact C-N 3.33Å; A298-A301 PolarHBondContact O-N 2.94Å; A298-T302 WeakPolarHBondContact O-CB 3.47Å; A298-T302 PolarHBondContact O-N 3.39Å; A298-T302 PolarHBondContact O-OG1 3.4Å
299A93.6Very high92.1Very high0 Ų015.5 Ų15.50%08%0.081CC..Hα-helixtrans-63.5-42.5173.500000110.7T261 A264 V282 T290 T295 Y296 G303T261-A299 WeakPolarHBondContact CB-O 3.31Å; T261-A299 HydrophobicContact CG2-CB 4.17Å; A264-A299 HydrophobicContact CB-CB 3.77Å; V282-A299 HydrophobicContact CG2-CB 4.44Å; T290-A299 HydrophobicContact CG2-CB 3.82Å; T295-A299 PolarHBondContact O-N 3.42Å; Y296-A299 PolarHBondContact O-N 2.98Å; Y296-A299 VanDerWaalsContact O-N 3.1Å; A299-G303 PolarHBondContact O-N 2.77Å
300F96Very high92.5Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-60-48.9171.8172.1-136.5000111.5L131 A264 W265 P266 L272 V275 L276 Y296 A298 G303 L304 L335L131-F300 HydrophobicContact CD1-CZ 3.96Å; A264-F300 HydrophobicContact CB-CB 4.22Å; W265-F300 HydrophobicContact CB-CD2 4.05Å; W265-F300 HydrophobicContact CB-CE2 4.32Å; W265-F300 AromaticContact CD1-CD2 3.59Å; W265-F300 AromaticContact CD2-CD2 4Å; W265-F300 HydrophobicContact CD2-CD2 4Å; W265-F300 HydrophobicContact CD2-CE2 4.16Å; W265-F300 AromaticContact CG-CD2 3.59Å; W265-F300 HydrophobicContact CG-CD2 3.59Å; W265-F300 HydrophobicContact CG-CE2 4.05Å; W265-F300 AromaticContact NE1-CD2 3.99Å; P266-F300 HydrophobicContact CG-CZ 4.18Å; L272-F300 HydrophobicContact CD1-CE1 3.88Å; L272-F300 HydrophobicContact CD1-CZ 4.17Å; V275-F300 HydrophobicContact CG1-CB 4.08Å; V275-F300 HydrophobicContact CG1-CD1 3.57Å; V275-F300 HydrophobicContact CG1-CE1 4.19Å; V275-F300 HydrophobicContact CG1-CG 3.94Å; L276-F300 HydrophobicContact CD2-CD1 4.04Å; L276-F300 HydrophobicContact CD2-CE1 3.87Å; L276-F300 HydrophobicContact CG-CE1 4.42Å; Y296-F300 PolarHBondContact O-N 2.92Å; Y296-F300 VanDerWaalsContact O-N 3.08Å; A298-F300 VanDerWaalsContact C-N 3.33Å; F300-G303 PolarHBondContact O-N 3.22Å; F300-L304 HydrophobicContact CD2-CB 4.31Å; F300-L304 HydrophobicContact CE2-CB 4.07Å; F300-L304 HydrophobicContact CE2-CD1 4.42Å; F300-L304 HydrophobicContact CE2-CD2 3.89Å; F300-L304 HydrophobicContact CE2-CG 4.35Å; F300-L304 HydrophobicContact CZ-CD2 3.91Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 PolarHBondContact O-N 2.73Å; F300-L335 HydrophobicContact CE1-CD1 3.67Å; F300-L335 HydrophobicContact CZ-CD1 3.85Å
301A93.2Very high92.9Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-59.3-50.1-179.600000112.4W297 A298 G305 D329 I331 N332W297-A301 HydrophobicContact CE3-CB 4.4Å; W297-A301 HydrophobicContact CZ3-CB 4.41Å; W297-A301 WeakPolarHBondContact O-CB 3.39Å; W297-A301 PolarHBondContact O-N 3.26Å; A298-A301 PolarHBondContact O-N 2.94Å; A301-G305 PolarHBondContact O-N 3.1Å; A301-D329 WeakPolarHBondContact CB-O 3.25Å; A301-I331 HydrophobicContact CB-CG2 4.21Å; A301-I331 WeakPolarHBondContact O-CG2 3.14Å; A301-N332 HydrophobicContact CB-CB 3.8Å
302T92.5Very high93.4Very high15 Ų1513.7 Ų13.79%0.0927%0.067CC..Hα-helixtrans-60.8-49.3178-53.70000111.1D289 R293 A298 L304 G305 A306D289-T302 WeakPolarHBondContact O-CB 3.13Å; D289-T302 WeakPolarHBondContact O-CG2 3.45Å; D289-T302 PolarHBondContact O-OG1 2.96Å; R293-T302 PolarHBondContact NH2-OG1 2.76Å; A298-T302 WeakPolarHBondContact O-CB 3.47Å; A298-T302 PolarHBondContact O-N 3.39Å; A298-T302 PolarHBondContact O-OG1 3.4Å; T302-L304 PolarHBondContact O-N 2.98Å; T302-G305 PolarHBondContact O-N 2.71Å; T302-A306 PolarHBondContact O-N 2.87Å
303G95.7Very high94.1Very high5 Ų59.7 Ų9.75%0.0525%0.052CC..Hα-helixtrans-59.8-48.4-178.800000112.5T261 A299 F300 G305 A306 V307T261-G303 WeakPolarHBondContact OG1-CA 3.48Å; A299-G303 PolarHBondContact O-N 2.77Å; F300-G303 PolarHBondContact O-N 3.22Å; G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 3.03Å; G303-A306 PolarHBondContact O-N 2.81Å; G303-V307 WeakPolarHBondContact O-CG2 3.21Å; G303-V307 PolarHBondContact O-N 2.92Å
304L96.7Very high94.8Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-66.7-36.5179.2-167.870.2000112L131 L132 W265 F300 T302 V307 W308 I331 L335L131-L304 HydrophobicContact CB-CD2 4.43Å; L132-L304 HydrophobicContact CD1-CD1 4.04Å; L132-L304 HydrophobicContact CD1-CG 4.46Å; L132-L304 HydrophobicContact CD2-CD1 4.17Å; L132-L304 HydrophobicContact CD2-CD2 4.19Å; L132-L304 HydrophobicContact CD2-CG 3.82Å; L132-L304 HydrophobicContact CG-CD1 3.86Å; L132-L304 HydrophobicContact CG-CG 4.1Å; W265-L304 HydrophobicContact CE3-CD1 4.5Å; W265-L304 HydrophobicContact CH2-CD1 3.98Å; W265-L304 HydrophobicContact CZ2-CB 4.49Å; W265-L304 HydrophobicContact CZ3-CD1 3.96Å; F300-L304 HydrophobicContact CD2-CB 4.31Å; F300-L304 HydrophobicContact CE2-CB 4.07Å; F300-L304 HydrophobicContact CE2-CD1 4.42Å; F300-L304 HydrophobicContact CE2-CD2 3.89Å; F300-L304 HydrophobicContact CE2-CG 4.35Å; F300-L304 HydrophobicContact CZ-CD2 3.91Å; F300-L304 WeakPolarHBondContact O-CB 3.38Å; F300-L304 PolarHBondContact O-N 2.73Å; T302-L304 PolarHBondContact O-N 2.98Å; L304-V307 WeakPolarHBondContact O-CB 2.8Å; L304-V307 PolarHBondContact O-N 2.89Å; L304-W308 PolarHBondContact O-N 3.36Å; L304-W308 VanDerWaalsContact O-N 3.11Å; L304-I331 HydrophobicContact CB-CG2 4.18Å; L304-I331 HydrophobicContact CD2-CD1 4.22Å; L304-I331 HydrophobicContact CD2-CG2 4.41Å; L304-I331 HydrophobicContact CG-CD1 4.24Å; L304-L335 HydrophobicContact CD2-CD1 3.83Å
305G95.6Very high95.2Very high0 Ų08.4 Ų8.40%05%0.047CC..Hα-helixtrans-61.2-44.6173.900000113.2A301 T302 G303 V307 W308 H309 I324 G328A301-G305 PolarHBondContact O-N 3.1Å; T302-G305 PolarHBondContact O-N 2.71Å; G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 3.03Å; G305-V307 VanDerWaalsContact C-N 3.28Å; G305-V307 PolarHBondContact O-N 3.4Å; G305-W308 PolarHBondContact O-N 3.22Å; G305-H309 PolarHBondContact O-N 3.12Å; G305-I324 WeakPolarHBondContact O-CD1 3.24Å; G305-G328 VanDerWaalsContact CA-O 3.31Å; G305-G328 WeakPolarHBondContact CA-O 3.16Å
306A95.2Very high95.5Very high29 Ų2910.4 Ų10.424%0.247%0.071CC..Hα-helixtrans-59.5-40.8175.100000111.3T302 G303 W308 H309 E310T302-A306 PolarHBondContact O-N 2.87Å; G303-A306 PolarHBondContact O-N 2.81Å; A306-W308 VanDerWaalsContact C-N 3.32Å; A306-W308 PolarHBondContact O-N 3.04Å; A306-H309 WeakPolarHBondContact O-CB 3.38Å; A306-H309 PolarHBondContact O-N 3Å; A306-E310 WeakPolarHBondContact O-CG 3.49Å; A306-E310 PolarHBondContact O-N 2.73Å
307V97.3Very high95.7Very high1 Ų19.8 Ų9.81%0.0067%0.068CC..Hα-helixtrans-61.6-43176.6-174.40000111.4I129 L132 I215 F217 L257 W265 G303 L304 G305 H309 L311I129-V307 HydrophobicContact CD1-CG1 3.62Å; L132-V307 HydrophobicContact CD1-CB 3.83Å; L132-V307 HydrophobicContact CD1-CG1 3.63Å; I215-V307 HydrophobicContact CD1-CG1 4.47Å; I215-V307 HydrophobicContact CG2-CG1 3.99Å; F217-V307 HydrophobicContact CE1-CG2 3.98Å; F217-V307 HydrophobicContact CZ-CG1 4.13Å; F217-V307 HydrophobicContact CZ-CG2 3.83Å; L257-V307 HydrophobicContact CD2-CB 4.04Å; L257-V307 HydrophobicContact CD2-CG2 3.51Å; W265-V307 HydrophobicContact CH2-CG2 3.61Å; W265-V307 HydrophobicContact CZ2-CG2 4.04Å; G303-V307 WeakPolarHBondContact O-CG2 3.21Å; G303-V307 PolarHBondContact O-N 2.92Å; L304-V307 WeakPolarHBondContact O-CB 2.8Å; L304-V307 PolarHBondContact O-N 2.89Å; G305-V307 VanDerWaalsContact C-N 3.28Å; G305-V307 PolarHBondContact O-N 3.4Å; V307-H309 VanDerWaalsContact C-N 3.31Å; V307-H309 PolarHBondContact O-N 3.36Å; V307-L311 VanDerWaalsContact O-CB 3.26Å; V307-L311 WeakPolarHBondContact O-CB 3.2Å; V307-L311 PolarHBondContact O-N 3.05Å
308W96.8Very high95.7Very high0 Ų016 Ų160%010%0.098CC..Hα-helixtrans-65.6-37.9178.6-154.925.7000111.9L132 L135 T136 A139 L304 G305 A306 G312 I324 I331 I387 A430 W432L132-W308 HydrophobicContact CD1-CB 4.07Å; L132-W308 HydrophobicContact CD1-CG 4.49Å; L132-W308 HydrophobicContact CD2-CB 3.67Å; L132-W308 HydrophobicContact CD2-CD2 4.1Å; L132-W308 HydrophobicContact CD2-CG 3.65Å; L132-W308 HydrophobicContact CG-CB 4.48Å; L135-W308 HydrophobicContact CB-CH2 4.21Å; L135-W308 HydrophobicContact CB-CZ2 4Å; T136-W308 PolarHBondContact OG1-NE1 2.93Å; A139-W308 HydrophobicContact CB-CH2 4.48Å; A139-W308 HydrophobicContact CB-CZ2 4.42Å; L304-W308 PolarHBondContact O-N 3.36Å; L304-W308 VanDerWaalsContact O-N 3.11Å; G305-W308 PolarHBondContact O-N 3.22Å; A306-W308 VanDerWaalsContact C-N 3.32Å; A306-W308 PolarHBondContact O-N 3.04Å; W308-G312 PolarHBondContact O-N 2.89Å; W308-I324 HydrophobicContact CB-CD1 4.09Å; W308-I324 HydrophobicContact CB-CG1 3.97Å; W308-I324 HydrophobicContact CD2-CD1 4.29Å; W308-I324 HydrophobicContact CD2-CG1 3.85Å; W308-I324 HydrophobicContact CE3-CB 4.06Å; W308-I324 HydrophobicContact CE3-CD1 3.59Å; W308-I324 HydrophobicContact CE3-CG1 3.48Å; W308-I324 VanDerWaalsContact CE3-CG1 3.48Å; W308-I324 HydrophobicContact CG-CG1 4.07Å; W308-I324 HydrophobicContact CZ3-CB 4.35Å; W308-I324 HydrophobicContact CZ3-CD1 4.41Å; W308-I324 HydrophobicContact CZ3-CG1 4.25Å; W308-I331 HydrophobicContact CB-CD1 4.42Å; W308-I331 HydrophobicContact CD2-CD1 4.21Å; W308-I331 HydrophobicContact CE3-CD1 3.6Å; W308-I331 HydrophobicContact CE3-CG1 4.23Å; W308-I331 HydrophobicContact CZ3-CD1 4.22Å; W308-I331 HydrophobicContact CZ3-CG1 4.4Å; W308-I387 HydrophobicContact CH2-CD1 3.85Å; W308-A430 HydrophobicContact CZ3-CB 4.46Å; W308-W432 AromaticContact CD1-CZ2 3.47Å; W308-W432 VanDerWaalsContact CD1-CZ2 3.47Å; W308-W432 HydrophobicContact CD2-CZ2 4.14Å; W308-W432 AromaticContact CE2-CE2 3.6Å; W308-W432 AromaticContact CE2-CZ2 3.71Å; W308-W432 AromaticContact CE2-NE1 3.15Å; W308-W432 HydrophobicContact CG-CZ2 4.02Å; W308-W432 AromaticContact CH2-CD1 3.93Å; W308-W432 AromaticContact CH2-NE1 3.8Å; W308-W432 AromaticContact CZ2-CD1 3.49Å; W308-W432 VanDerWaalsContact CZ2-CD1 3.49Å; W308-W432 AromaticContact CZ2-CE2 3.84Å; W308-W432 HydrophobicContact CZ2-CZ2 4.4Å; W308-W432 AromaticContact CZ2-NE1 2.95Å; W308-W432 AromaticContact NE1-CE2 3.56Å; W308-W432 AromaticContact NE1-CZ2 3.27Å; W308-W432 VanDerWaalsContact NE1-CZ2 3.27Å; W308-W432 AromaticContact NE1-NE1 3.35Å; W308-W432 WeakPolarHBondContact O-CH2 3.48Å
309H96.2Very high95.8Very high22 Ų2222.4 Ų22.410%0.10213%0.127CC..Hα-helixtrans-61.4-54.2174.1-176.9103000112.2G305 A306 V307 L311 G312 H313 H319 I324G305-H309 PolarHBondContact O-N 3.12Å; A306-H309 WeakPolarHBondContact O-CB 3.38Å; A306-H309 PolarHBondContact O-N 3Å; V307-H309 VanDerWaalsContact C-N 3.31Å; V307-H309 PolarHBondContact O-N 3.36Å; H309-L311 VanDerWaalsContact C-N 3.26Å; H309-L311 PolarHBondContact O-N 2.77Å; H309-G312 WeakPolarHBondContact O-CA 3.41Å; H309-G312 PolarHBondContact O-N 3.05Å; H309-H313 AromaticContact CD2-CD2 3.7Å; H309-H313 AromaticContact CD2-NE2 3.64Å; H309-H313 AromaticContact NE2-CD2 3.72Å; H309-H313 AromaticContact NE2-NE2 3.14Å; H309-H313 PolarHBondContact NE2-NE2 3.4Å; H309-H313 VanDerWaalsContact NE2-NE2 3.14Å; H309-H313 PolarHBondContact O-N 2.89Å; H309-H313 VanDerWaalsContact O-N 3.16Å; H309-H319 AromaticContact CE1-CD2 3.55Å; H309-H319 AromaticContact CE1-NE2 3.79Å; H309-H319 AromaticContact NE2-CD2 3.57Å; H309-H319 AromaticContact NE2-NE2 3.39Å; H309-H319 PolarHBondContact NE2-NE2 3.17Å; H309-I324 PolarHBondContact ND1-O 2.8Å
310E97.5Very high95.6Very high15 Ų1523.8 Ų23.87%0.0713%0.133CC..Hα-helixtrans-64.5-33.5-179.1-59-39.8142.400112.3A248 G250 A255 L257 A306 G312 H313 C314A248-E310 VanDerWaalsContact C-CD 3.48Å; G250-E310 WeakPolarHBondContact CA-OE2 3.41Å; G250-E310 PolarHBondContact N-OE2 3Å; A255-E310 HydrophobicContact CB-CB 3.7Å; L257-E310 HydrophobicContact CD2-CG 4.32Å; L257-E310 HydrophobicContact CG-CG 4.48Å; A306-E310 WeakPolarHBondContact O-CG 3.49Å; A306-E310 PolarHBondContact O-N 2.73Å; E310-G312 VanDerWaalsContact C-N 3.29Å; E310-G312 PolarHBondContact O-N 3.14Å; E310-H313 PolarHBondContact O-N 2.79Å; E310-H313 IonicContact OE2-CD2 3.89Å; E310-C314 PolarHBondContact O-N 2.79Å; E310-C314 PolarHBondContact O-SG 2.86Å
311L96.8Very high95Very high0 Ų029.1 Ų29.10%017%0.167CC..Hα-helixtrans-65.7-34.8172.4-172.460.5000111.4V94 F150 I215 V307 H309 H313 C314 F315V94-L311 HydrophobicContact CG1-CD1 4.19Å; V94-L311 HydrophobicContact CG2-CD1 4.3Å; F150-L311 HydrophobicContact CD1-CD2 4.08Å; F150-L311 HydrophobicContact CE1-CD2 3.62Å; F150-L311 HydrophobicContact CE2-CD2 4.49Å; F150-L311 HydrophobicContact CZ-CD2 3.85Å; I215-L311 HydrophobicContact CD1-CD1 3.97Å; I215-L311 HydrophobicContact CD1-CD2 4.16Å; I215-L311 HydrophobicContact CG1-CD1 4.2Å; V307-L311 VanDerWaalsContact O-CB 3.26Å; V307-L311 WeakPolarHBondContact O-CB 3.2Å; V307-L311 PolarHBondContact O-N 3.05Å; H309-L311 VanDerWaalsContact C-N 3.26Å; H309-L311 PolarHBondContact O-N 2.77Å; L311-H313 PolarHBondContact O-N 3.33Å; L311-C314 HydrophobicContact CD1-CB 4.36Å; L311-C314 WeakPolarHBondContact O-CB 3.48Å; L311-C314 PolarHBondContact O-N 3.39Å; L311-C314 VanDerWaalsContact O-N 3.16Å; L311-F315 HydrophobicContact CD1-CE1 3.99Å; L311-F315 HydrophobicContact CD1-CE2 4.05Å; L311-F315 HydrophobicContact CD1-CZ 3.65Å; L311-F315 HydrophobicContact CD2-CE2 3.82Å; L311-F315 HydrophobicContact CD2-CZ 3.88Å; L311-F315 HydrophobicContact CG-CD2 4.12Å; L311-F315 HydrophobicContact CG-CE1 4.35Å; L311-F315 HydrophobicContact CG-CE2 3.49Å; L311-F315 VanDerWaalsContact CG-CE2 3.49Å; L311-F315 HydrophobicContact CG-CZ 3.61Å; L311-F315 WeakPolarHBondContact O-CD2 3.36Å; L311-F315 WeakPolarHBondContact O-CG 3.49Å; L311-F315 PolarHBondContact O-N 3.34Å
312G97.4Very high94.4Very high0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-57.7-45.2171.100000112.8W308 H309 E310 C314 F315 G316 L317W308-G312 PolarHBondContact O-N 2.89Å; H309-G312 WeakPolarHBondContact O-CA 3.41Å; H309-G312 PolarHBondContact O-N 3.05Å; E310-G312 VanDerWaalsContact C-N 3.29Å; E310-G312 PolarHBondContact O-N 3.14Å; G312-C314 VanDerWaalsContact C-N 3.35Å; G312-F315 CarbonylContact O-C 2.88Å; G312-F315 PolarHBondContact O-N 3.38Å; G312-F315 VanDerWaalsContact O-N 3.13Å; G312-G316 PolarHBondContact O-N 3.14Å; G312-L317 WeakPolarHBondContact O-CB 3.34Å; G312-L317 PolarHBondContact O-N 3.08Å
313H97.4Very high94Very high34 Ų3433.4 Ų33.416%0.15719%0.186CC..Hα-helixtrans-61.4-41.9172.4-71.8-48.9000112.6G250 H309 E310 L311 F315 G316 L317 H319 M325G250-H313 WeakPolarHBondContact O-CB 3.3Å; H309-H313 AromaticContact CD2-CD2 3.7Å; H309-H313 AromaticContact CD2-NE2 3.64Å; H309-H313 AromaticContact NE2-CD2 3.72Å; H309-H313 AromaticContact NE2-NE2 3.14Å; H309-H313 PolarHBondContact NE2-NE2 3.4Å; H309-H313 VanDerWaalsContact NE2-NE2 3.14Å; H309-H313 PolarHBondContact O-N 2.89Å; H309-H313 VanDerWaalsContact O-N 3.16Å; E310-H313 PolarHBondContact O-N 2.79Å; E310-H313 IonicContact OE2-CD2 3.89Å; L311-H313 PolarHBondContact O-N 3.33Å; H313-F315 PolarHBondContact O-N 2.96Å; H313-G316 PolarHBondContact O-N 3.49Å; H313-L317 PolarHBondContact ND1-O 2.88Å; H313-H319 AromaticContact CE1-CD2 3.7Å; H313-H319 AromaticContact CE1-NE2 3.8Å; H313-H319 AromaticContact NE2-CD2 3.62Å; H313-H319 AromaticContact NE2-NE2 3.38Å; H313-H319 PolarHBondContact NE2-NE2 3.27Å; H313-M325 WeakPolarHBondContact CE1-CE 3.5Å; H313-M325 WeakPolarHBondContact ND1-CE 3.44Å
314C97.7Very high93.7Very high3 Ų333.1 Ų33.12%0.0218%0.184CC..Hα-helixtrans-62.2-27174.8-65.10000113K213 A255 E310 L311 G312 G316K213-C314 HydrophobicContact CD-CB 4.26Å; K213-C314 WeakPolarHBondContact CE-O 3.39Å; K213-C314 HydrophobicContact CG-CB 4.49Å; K213-C314 PolarHBondContact NZ-O 2.72Å; A255-C314 PolarHBondContact N-SG 3.32Å; A255-C314 VanDerWaalsContact N-SG 3.4Å; E310-C314 PolarHBondContact O-N 2.79Å; E310-C314 PolarHBondContact O-SG 2.86Å; L311-C314 HydrophobicContact CD1-CB 4.36Å; L311-C314 WeakPolarHBondContact O-CB 3.48Å; L311-C314 PolarHBondContact O-N 3.39Å; L311-C314 VanDerWaalsContact O-N 3.16Å; G312-C314 VanDerWaalsContact C-N 3.35Å; C314-G316 VanDerWaalsContact C-N 3.3Å
315F97.5Very high93.5Very high14 Ų1433.2 Ų33.26%0.06118%0.184CC..THydrogen-bonded Turntrans-85.63.1172.8-62.2-33000114.2V94 F150 K213 L311 G312 H313 L440 W445 I446V94-F315 HydrophobicContact CG2-CE1 4.03Å; V94-F315 HydrophobicContact CG2-CZ 3.88Å; F150-F315 HydrophobicContact CB-CZ 3.84Å; F150-F315 HydrophobicContact CD1-CE2 4.01Å; F150-F315 AromaticContact CD1-CZ 3.86Å; F150-F315 HydrophobicContact CD1-CZ 3.86Å; F150-F315 AromaticContact CG-CZ 4Å; F150-F315 HydrophobicContact CG-CZ 4Å; K213-F315 HydrophobicContact CG-CD1 4.26Å; K213-F315 HydrophobicContact CG-CE1 4.03Å; L311-F315 HydrophobicContact CD1-CE1 3.99Å; L311-F315 HydrophobicContact CD1-CE2 4.05Å; L311-F315 HydrophobicContact CD1-CZ 3.65Å; L311-F315 HydrophobicContact CD2-CE2 3.82Å; L311-F315 HydrophobicContact CD2-CZ 3.88Å; L311-F315 HydrophobicContact CG-CD2 4.12Å; L311-F315 HydrophobicContact CG-CE1 4.35Å; L311-F315 HydrophobicContact CG-CE2 3.49Å; L311-F315 VanDerWaalsContact CG-CE2 3.49Å; L311-F315 HydrophobicContact CG-CZ 3.61Å; L311-F315 WeakPolarHBondContact O-CD2 3.36Å; L311-F315 WeakPolarHBondContact O-CG 3.49Å; L311-F315 PolarHBondContact O-N 3.34Å; G312-F315 CarbonylContact O-C 2.88Å; G312-F315 PolarHBondContact O-N 3.38Å; G312-F315 VanDerWaalsContact O-N 3.13Å; H313-F315 PolarHBondContact O-N 2.96Å; F315-L440 HydrophobicContact CB-CD2 3.49Å; F315-L440 VanDerWaalsContact CB-CD2 3.49Å; F315-L440 HydrophobicContact CD2-CD2 4.34Å; F315-L440 HydrophobicContact CG-CD2 4.3Å; F315-W445 HydrophobicContact CD1-CB 3.94Å; F315-W445 HydrophobicContact CE1-CB 3.55Å; F315-W445 HydrophobicContact CE1-CG 4.14Å; F315-W445 HydrophobicContact CZ-CB 4.44Å; F315-I446 HydrophobicContact CD2-CD1 3.98Å; F315-I446 HydrophobicContact CE2-CD1 3.73Å; F315-I446 HydrophobicContact CZ-CD1 4.12Å
316G95.8Very high93.1Very high57 Ų5737.6 Ų37.659%0.58820%0.203SC*.THydrogen-bonded Turntrans90.618.2175.300000114.6G312 H313 C314G312-G316 PolarHBondContact O-N 3.14Å; H313-G316 PolarHBondContact O-N 3.49Å; C314-G316 VanDerWaalsContact C-N 3.3Å
317L96.2Very high92.3Very high6 Ų642 Ų423%0.03121%0.214CC..  trans-85.2149.2171.8-60.8176.5000111.3G312 H313 Y320 M325 W432 A436 K439 L440G312-L317 WeakPolarHBondContact O-CB 3.34Å; G312-L317 PolarHBondContact O-N 3.08Å; H313-L317 PolarHBondContact ND1-O 2.88Å; L317-Y320 HydrophobicContact CD2-CE2 4.41Å; L317-M325 HydrophobicContact CB-CE 3.94Å; L317-M325 HydrophobicContact CB-CG 4.32Å; L317-M325 HydrophobicContact CB-SD 4.23Å; L317-M325 HydrophobicContact CD1-CG 4.2Å; L317-M325 HydrophobicContact CD1-SD 4.36Å; L317-W432 HydrophobicContact CD1-CE3 3.46Å; L317-W432 VanDerWaalsContact CD1-CE3 3.46Å; L317-W432 HydrophobicContact CD1-CH2 4.22Å; L317-W432 HydrophobicContact CD1-CZ3 3.24Å; L317-A436 HydrophobicContact CD1-CB 4.04Å; L317-A436 HydrophobicContact CD2-CB 4.16Å; L317-K439 HydrophobicContact CD2-CB 3.94Å; L317-K439 HydrophobicContact CD2-CD 4.09Å; L317-L440 HydrophobicContact CD1-CD1 3.86Å; L317-L440 HydrophobicContact CD1-CD2 3.84Å; L317-L440 HydrophobicContact CD1-CG 3.83Å; L317-L440 HydrophobicContact CD2-CD2 4.13Å; L317-L440 HydrophobicContact CD2-CG 4.18Å; L317-L440 HydrophobicContact CG-CD2 3.83Å; L317-L440 HydrophobicContact CG-CG 4.19Å
318E94.3Very high91.1Very high136 Ų13642.4 Ų42.464%0.63622%0.219SC*.  trans-102.4174.4170.6-65172160.300109.1Y320 M325E318-Y320 WeakPolarHBondContact O-CD2 3.4Å; E318-Y320 WeakPolarHBondContact O-CE2 3.2Å; E318-Y320 PolarHBondContact O-N 2.67Å; E318-M325 WeakPolarHBondContact O-CE 3.34Å
319H93.2Very high90.1Very high134 Ų13444.3 Ų44.362%0.6223%0.229SC*.  trans-58.8140169.9-66.1136.9000111.6H309 H313 M325H309-H319 AromaticContact CE1-CD2 3.55Å; H309-H319 AromaticContact CE1-NE2 3.79Å; H309-H319 AromaticContact NE2-CD2 3.57Å; H309-H319 AromaticContact NE2-NE2 3.39Å; H309-H319 PolarHBondContact NE2-NE2 3.17Å; H313-H319 AromaticContact CE1-CD2 3.7Å; H313-H319 AromaticContact CE1-NE2 3.8Å; H313-H319 AromaticContact NE2-CD2 3.62Å; H313-H319 AromaticContact NE2-NE2 3.38Å; H313-H319 PolarHBondContact NE2-NE2 3.27Å; H319-M325 WeakPolarHBondContact CA-O 3.49Å
320Y88.3Confident89.4Confident29 Ų2943.5 Ų43.511%0.11423%0.225CC..  trans-117.5159.4171-75.7-89000109.3L317 E318 Q322 M325 F326 K435 A436 K439L317-Y320 HydrophobicContact CD2-CE2 4.41Å; E318-Y320 WeakPolarHBondContact O-CD2 3.4Å; E318-Y320 WeakPolarHBondContact O-CE2 3.2Å; E318-Y320 PolarHBondContact O-N 2.67Å; Y320-Q322 PolarHBondContact O-N 3.38Å; Y320-M325 HydrophobicContact CD2-CB 3.71Å; Y320-M325 HydrophobicContact CD2-CG 4.05Å; Y320-M325 HydrophobicContact CG-CB 4.38Å; Y320-M325 PolarHBondContact N-O 3.39Å; Y320-F326 WeakPolarHBondContact O-CA 3.32Å; Y320-F326 WeakPolarHBondContact O-CB 3.41Å; Y320-K435 HydrophobicContact CE1-CB 4.46Å; Y320-K435 HydrophobicContact CE1-CD 3.73Å; Y320-K435 HydrophobicContact CE1-CG 3.91Å; Y320-A436 HydrophobicContact CD2-CB 4.48Å; Y320-A436 HydrophobicContact CE2-CB 4.08Å; Y320-K439 WeakPolarHBondContact OH-CD 3.23Å; Y320-K439 VanDerWaalsContact OH-CE 3.25Å; Y320-K439 WeakPolarHBondContact OH-CE 3.44Å; Y320-K439 PolarHBondContact OH-NZ 3.41Å; Y320-K439 VanDerWaalsContact OH-NZ 3.15Å
321P83.6Confident88.9Confident111 Ų11142.8 Ų42.872%0.72122%0.222SC*.SBendtrans-76-2.4179.731-36.5000113.9
322Q80Confident88.5Confident104 Ų10443 Ų4349%0.48622%0.223SC..SBendtrans-151.6170.9178.865-178.248.100109.6Y320 F431Y320-Q322 PolarHBondContact O-N 3.38Å; Q322-F431 HydrophobicContact CB-CZ 4.28Å; Q322-F431 HydrophobicContact CG-CE2 4.34Å; Q322-F431 HydrophobicContact CG-CZ 4.17Å
323G84.5Confident87.9Confident1 Ų143 Ų431%0.0122%0.223CC..SBendtrans82.3-173.6175.800000112.9M325 F326 R327 S429 F431G323-M325 PolarHBondContact O-N 2.95Å; G323-F326 WeakPolarHBondContact O-CA 3.23Å; G323-F326 WeakPolarHBondContact O-CB 3.35Å; G323-F326 PolarHBondContact O-N 3.07Å; G323-R327 PolarHBondContact O-N 2.85Å; G323-R327 VanDerWaalsContact O-N 3.08Å; G323-S429 CarbonylContact C-O 3.51Å; G323-S429 WeakPolarHBondContact CA-O 3.41Å; G323-F431 CarbonylContact C-O 3.49Å; G323-F431 WeakPolarHBondContact CA-O 3.37Å
324I89.5Confident87.4Confident0 Ų041.4 Ų41.40%022%0.216CC..THydrogen-bonded Turntrans-57.9-31.1176.6-170.357.6000112.4G305 W308 H309 F326 S429 F431 W432G305-I324 WeakPolarHBondContact O-CD1 3.24Å; W308-I324 HydrophobicContact CB-CD1 4.09Å; W308-I324 HydrophobicContact CB-CG1 3.97Å; W308-I324 HydrophobicContact CD2-CD1 4.29Å; W308-I324 HydrophobicContact CD2-CG1 3.85Å; W308-I324 HydrophobicContact CE3-CB 4.06Å; W308-I324 HydrophobicContact CE3-CD1 3.59Å; W308-I324 HydrophobicContact CE3-CG1 3.48Å; W308-I324 VanDerWaalsContact CE3-CG1 3.48Å; W308-I324 HydrophobicContact CG-CG1 4.07Å; W308-I324 HydrophobicContact CZ3-CB 4.35Å; W308-I324 HydrophobicContact CZ3-CD1 4.41Å; W308-I324 HydrophobicContact CZ3-CG1 4.25Å; H309-I324 PolarHBondContact ND1-O 2.8Å; I324-F326 PolarHBondContact O-N 3.03Å; I324-S429 PolarHBondContact N-O 3.06Å; I324-F431 PolarHBondContact N-O 3.08Å; I324-W432 HydrophobicContact CG2-CD2 3.5Å; I324-W432 VanDerWaalsContact CG2-CD2 3.5Å; I324-W432 HydrophobicContact CG2-CE3 3.28Å; I324-W432 HydrophobicContact CG2-CG 4.08Å; I324-W432 HydrophobicContact CG2-CH2 4.04Å; I324-W432 HydrophobicContact CG2-CZ2 4.27Å; I324-W432 HydrophobicContact CG2-CZ3 3.55Å
325M92Very high87.1Confident1 Ų141.3 Ų41.31%0.00522%0.215CC..THydrogen-bonded Turntrans-79.83.9175.6-63.1-50.8-62.100113.9H313 L317 E318 H319 Y320 G323 W432H313-M325 WeakPolarHBondContact CE1-CE 3.5Å; H313-M325 WeakPolarHBondContact ND1-CE 3.44Å; L317-M325 HydrophobicContact CB-CE 3.94Å; L317-M325 HydrophobicContact CB-CG 4.32Å; L317-M325 HydrophobicContact CB-SD 4.23Å; L317-M325 HydrophobicContact CD1-CG 4.2Å; L317-M325 HydrophobicContact CD1-SD 4.36Å; E318-M325 WeakPolarHBondContact O-CE 3.34Å; H319-M325 WeakPolarHBondContact CA-O 3.49Å; Y320-M325 HydrophobicContact CD2-CB 3.71Å; Y320-M325 HydrophobicContact CD2-CG 4.05Å; Y320-M325 HydrophobicContact CG-CB 4.38Å; Y320-M325 PolarHBondContact N-O 3.39Å; G323-M325 PolarHBondContact O-N 2.95Å; M325-W432 HydrophobicContact CG-CE3 4.04Å; M325-W432 HydrophobicContact CG-CZ3 3.79Å; M325-W432 HydrophobicContact SD-CE3 4.34Å; M325-W432 HydrophobicContact SD-CH2 4.28Å; M325-W432 HydrophobicContact SD-CZ3 3.5Å; M325-W432 WeakPolarHBondContact SD-CZ3 3.28Å
326F87.6Confident86.6Confident92 Ų9241.1 Ų41.140%0.40422%0.217SC..THydrogen-bonded Turntrans-107.6-60.8166-178.6-123.7000110.6Y320 G323 I324Y320-F326 WeakPolarHBondContact O-CA 3.32Å; Y320-F326 WeakPolarHBondContact O-CB 3.41Å; G323-F326 WeakPolarHBondContact O-CA 3.23Å; G323-F326 WeakPolarHBondContact O-CB 3.35Å; G323-F326 PolarHBondContact O-N 3.07Å; I324-F326 PolarHBondContact O-N 3.03Å
327R78Confident86.1Confident121 Ų12140.3 Ų40.346%0.45720%0.197SC..  trans-148.1138.4176.6-64.3-169.4-167.9-164.92.8109.2G323G323-R327 PolarHBondContact O-N 2.85Å; G323-R327 VanDerWaalsContact O-N 3.08Å
328G72.4Confident85.1Confident11 Ų1140.6 Ų40.611%0.11320%0.2CC..  trans-112.97.5-175.800000115.7G305 D330 I331G305-G328 VanDerWaalsContact CA-O 3.31Å; G305-G328 WeakPolarHBondContact CA-O 3.16Å; G328-D330 PolarHBondContact O-N 2.86Å; G328-D330 VanDerWaalsContact O-N 3.1Å; G328-I331 PolarHBondContact O-N 3.49Å
329D77.1Confident84.3Confident39 Ų3934.4 Ų34.421%0.20917%0.171CC..THydrogen-bonded Turntrans-65-18.8-166.655-44.9000113.9A291 R293 A301A291-D329 HydrophobicContact CB-CB 3.89Å; R293-D329 PolarHBondContact NH1-O 3.19Å; R293-D329 PolarHBondContact NH2-O 3.15Å; A301-D329 WeakPolarHBondContact CB-O 3.25Å
330D79.8Confident83.1Confident5 Ų530.5 Ų30.53%0.02716%0.158CC..THydrogen-bonded Turntrans-100.915.1-171.677.4-82.4000114G328 N332 L333 Q388 G428 S429 A430G328-D330 PolarHBondContact O-N 2.86Å; G328-D330 VanDerWaalsContact O-N 3.1Å; D330-N332 VanDerWaalsContact C-OD1 3.29Å; D330-N332 PolarHBondContact O-N 3.46Å; D330-N332 PolarHBondContact O-OD1 3.33Å; D330-L333 HydrophobicContact CB-CD1 3.93Å; D330-L333 WeakPolarHBondContact O-CB 3.42Å; D330-L333 WeakPolarHBondContact O-CG 3.36Å; D330-L333 PolarHBondContact O-N 3.42Å; D330-Q388 PolarHBondContact OD2-NE2 2.8Å; D330-G428 WeakPolarHBondContact OD2-CA 3.16Å; D330-S429 VanDerWaalsContact OD1-C 3.27Å; D330-S429 WeakPolarHBondContact OD1-CA 3.46Å; D330-S429 PolarHBondContact OD1-N 2.94Å; D330-S429 PolarHBondContact OD1-OG 2.98Å; D330-S429 VanDerWaalsContact OD1-OG 3.05Å; D330-S429 PolarHBondContact OD2-N 3.12Å; D330-A430 WeakPolarHBondContact OD1-CB 3.45Å; D330-A430 PolarHBondContact OD1-N 3.34Å; D330-A430 WeakPolarHBondContact OD2-CB 3.22Å; D330-A430 PolarHBondContact OD2-N 3.48Å
331I88.2Confident82.1Confident0 Ų033.4 Ų33.40%018%0.175CC..THydrogen-bonded Turntrans-58.2-21-177.1-157.7171.3000114.1L132 L135 A301 L304 W308 G328 L333 C334 L335 A430L132-I331 HydrophobicContact CD2-CD1 3.54Å; L135-I331 HydrophobicContact CD1-CD1 3.69Å; L135-I331 HydrophobicContact CD1-CG1 3.58Å; A301-I331 HydrophobicContact CB-CG2 4.21Å; A301-I331 WeakPolarHBondContact O-CG2 3.14Å; L304-I331 HydrophobicContact CB-CG2 4.18Å; L304-I331 HydrophobicContact CD2-CD1 4.22Å; L304-I331 HydrophobicContact CD2-CG2 4.41Å; L304-I331 HydrophobicContact CG-CD1 4.24Å; W308-I331 HydrophobicContact CB-CD1 4.42Å; W308-I331 HydrophobicContact CD2-CD1 4.21Å; W308-I331 HydrophobicContact CE3-CD1 3.6Å; W308-I331 HydrophobicContact CE3-CG1 4.23Å; W308-I331 HydrophobicContact CZ3-CD1 4.22Å; W308-I331 HydrophobicContact CZ3-CG1 4.4Å; G328-I331 PolarHBondContact O-N 3.49Å; I331-L333 PolarHBondContact O-N 3.17Å; I331-C334 HydrophobicContact CG1-CB 4.41Å; I331-C334 WeakPolarHBondContact O-CA 3.5Å; I331-C334 VanDerWaalsContact O-CB 3.3Å; I331-C334 WeakPolarHBondContact O-CB 3.28Å; I331-C334 PolarHBondContact O-N 3.05Å; I331-L335 PolarHBondContact O-N 3.03Å; I331-A430 HydrophobicContact CB-CB 4.12Å; I331-A430 HydrophobicContact CG1-CB 4.35Å
332N87Confident81.2Confident4 Ų428.8 Ų28.82%0.02115%0.145CC..Hα-helixtrans-54.7-26.417365.7-62.5000112.6L276 W297 A301 D330 C334 L335 G336L276-N332 HydrophobicContact CD2-CB 4.21Å; W297-N332 HydrophobicContact CE3-CB 4.03Å; W297-N332 HydrophobicContact CZ3-CB 4.09Å; W297-N332 WeakPolarHBondContact CZ3-ND2 3.26Å; W297-N332 WeakPolarHBondContact CZ3-OD1 3.43Å; A301-N332 HydrophobicContact CB-CB 3.8Å; D330-N332 VanDerWaalsContact C-OD1 3.29Å; D330-N332 PolarHBondContact O-N 3.46Å; D330-N332 PolarHBondContact O-OD1 3.33Å; N332-C334 VanDerWaalsContact C-N 3.3Å; N332-L335 PolarHBondContact O-N 3.26Å; N332-G336 CarbonylContact O-C 3.54Å; N332-G336 PolarHBondContact O-N 2.99Å
333L84.8Confident80.2Confident2 Ų230.4 Ų30.41%0.0116%0.156CC..Hα-helixtrans-82.5-15.3-178.5-57.1161000111.9K57 D330 I331 P338 Q388 R391K57-L333 PolarHBondContact NZ-O 3.02Å; D330-L333 HydrophobicContact CB-CD1 3.93Å; D330-L333 WeakPolarHBondContact O-CB 3.42Å; D330-L333 WeakPolarHBondContact O-CG 3.36Å; D330-L333 PolarHBondContact O-N 3.42Å; I331-L333 PolarHBondContact O-N 3.17Å; L333-P338 HydrophobicContact CD2-CB 4.43Å; L333-P338 HydrophobicContact CD2-CG 3.7Å; L333-Q388 HydrophobicContact CB-CG 4.18Å; L333-R391 VanDerWaalsContact CD1-CZ 3.44Å; L333-R391 VanDerWaalsContact CD1-NH2 3.26Å; L333-R391 VanDerWaalsContact CG-NH1 3.25Å
334C87.9Confident78.9Confident0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-82.8-34.2166.7-62.40000110.7Q19 L135 I331 N332 I387 Q388 A430Q19-C334 PolarHBondContact NE2-O 3.45Å; L135-C334 HydrophobicContact CD1-CB 3.91Å; L135-C334 HydrophobicContact CD2-CB 3.79Å; L135-C334 HydrophobicContact CG-CB 4.48Å; I331-C334 HydrophobicContact CG1-CB 4.41Å; I331-C334 WeakPolarHBondContact O-CA 3.5Å; I331-C334 VanDerWaalsContact O-CB 3.3Å; I331-C334 WeakPolarHBondContact O-CB 3.28Å; I331-C334 PolarHBondContact O-N 3.05Å; N332-C334 VanDerWaalsContact C-N 3.3Å; C334-I387 HydrophobicContact CB-CB 4.32Å; C334-I387 HydrophobicContact CB-CG2 3.74Å; C334-Q388 PolarHBondContact SG-NE2 2.97Å; C334-A430 PolarHBondContact SG-O 2.86Å
335L91Very high77Confident1 Ų134.5 Ų34.51%0.00518%0.183CC..Hα-helixtrans-78-54.1-180-61174.6000112.7Q19 F59 L131 L135 L276 F300 L304 I331 N332Q19-L335 PolarHBondContact NE2-O 3.31Å; F59-L335 HydrophobicContact CE2-CB 4.46Å; F59-L335 HydrophobicContact CE2-CD2 4.27Å; F59-L335 WeakPolarHBondContact CE2-O 3.13Å; F59-L335 HydrophobicContact CZ-CD2 3.75Å; L131-L335 HydrophobicContact CB-CD2 4.1Å; L131-L335 HydrophobicContact CD1-CD2 4.32Å; L131-L335 HydrophobicContact CD2-CD2 4.11Å; L131-L335 HydrophobicContact CG-CD2 4.41Å; L135-L335 HydrophobicContact CD1-CD2 3.7Å; L135-L335 HydrophobicContact CD1-CG 4.22Å; L135-L335 HydrophobicContact CD2-CD2 4.2Å; L135-L335 HydrophobicContact CG-CD2 4.09Å; L276-L335 HydrophobicContact CD1-CB 4Å; L276-L335 HydrophobicContact CD2-CB 4.09Å; L276-L335 HydrophobicContact CD2-CD1 4.05Å; F300-L335 HydrophobicContact CE1-CD1 3.67Å; F300-L335 HydrophobicContact CZ-CD1 3.85Å; L304-L335 HydrophobicContact CD2-CD1 3.83Å; I331-L335 PolarHBondContact O-N 3.03Å; N332-L335 PolarHBondContact O-N 3.26Å
336G88.2Confident74.9Confident10 Ų1038.8 Ų38.810%0.10320%0.203CC..SBendtrans-138.7-146.2-17500000112.3K57 N332K57-G336 PolarHBondContact NZ-O 2.83Å; N332-G336 CarbonylContact O-C 3.54Å; N332-G336 PolarHBondContact O-N 2.99Å
337F83.5Confident72.7Confident39 Ų3940.5 Ų40.517%0.17121%0.212CC..  trans-110.2162.3176.6-60.8-80.2000110.1C52 M55 K57 F389C52-F337 HydrophobicContact CB-CB 4.19Å; C52-F337 HydrophobicContact CB-CD1 3.5Å; C52-F337 VanDerWaalsContact CB-CD1 3.5Å; C52-F337 HydrophobicContact CB-CD2 3.56Å; C52-F337 HydrophobicContact CB-CE1 3.58Å; C52-F337 HydrophobicContact CB-CE2 3.66Å; C52-F337 HydrophobicContact CB-CG 3.47Å; C52-F337 VanDerWaalsContact CB-CG 3.47Å; C52-F337 HydrophobicContact CB-CZ 3.66Å; M55-F337 HydrophobicContact CB-CE1 4.05Å; M55-F337 HydrophobicContact CB-CZ 3.85Å; M55-F337 HydrophobicContact CE-CE1 4.21Å; K57-F337 HydrophobicContact CB-CE2 4.45Å; K57-F337 HydrophobicContact CG-CE2 4.11Å; K57-F337 HydrophobicContact CG-CZ 3.91Å; F337-F389 HydrophobicContact CD1-CD2 4.48Å; F337-F389 AromaticContact CE1-CD2 3.47Å; F337-F389 HydrophobicContact CE1-CD2 3.47Å; F337-F389 VanDerWaalsContact CE1-CD2 3.47Å; F337-F389 AromaticContact CE1-CE2 3.67Å; F337-F389 HydrophobicContact CE1-CE2 3.67Å; F337-F389 AromaticContact CZ-CD2 3.94Å; F337-F389 HydrophobicContact CZ-CD2 3.94Å; F337-F389 AromaticContact CZ-CE2 3.62Å; F337-F389 HydrophobicContact CZ-CE2 3.62Å
338P76.5Confident70.7Confident13 Ų1339 Ų398%0.08422%0.22CC..  trans-51.8134.3168.6-22.632.1000110.1L333 M393L333-P338 HydrophobicContact CD2-CB 4.43Å; L333-P338 HydrophobicContact CD2-CG 3.7Å; P338-M393 HydrophobicContact CG-CG 4.29Å
339P77.2Confident68.7Low6 Ų644.6 Ų44.64%0.03925%0.247CC..  trans-57140.4177.3-13.118.8000110.2T279 W297 D341 S342T279-P339 HydrophobicContact CG2-CB 3.53Å; T279-P339 HydrophobicContact CG2-CG 4.25Å; W297-P339 HydrophobicContact CD2-CG 3.64Å; W297-P339 HydrophobicContact CE3-CG 4.35Å; W297-P339 HydrophobicContact CG-CG 3.71Å; W297-P339 HydrophobicContact CZ2-CG 4.26Å; P339-D341 PolarHBondContact O-N 3.49Å; P339-S342 WeakPolarHBondContact O-CB 3.35Å; P339-S342 PolarHBondContact O-N 3.2Å; P339-S342 PolarHBondContact O-OG 3.01Å
340P67.5Low66.6Low52 Ų5248.5 Ų48.534%0.33827%0.266SS..THydrogen-bonded Turntrans-50.2-31.6-179.1-32.737.5000115H396P340-H396 PolarHBondContact O-CE1 2.59Å
341D67.1Low64.2Low90 Ų9055.8 Ų55.848%0.48131%0.305SS..THydrogen-bonded Turntrans-110.416.7-177.4-60.8-49.3000113.4T279 P339 I343 H396T279-D341 HydrophobicContact CG2-CB 4.14Å; P339-D341 PolarHBondContact O-N 3.49Å; D341-I343 PolarHBondContact O-N 3.14Å; D341-H396 IonicContact OD1-CE1 3.98Å; D341-H396 PolarHBondContact OD1-CE1 3.02Å; D341-H396 IonicContact OD1-NE2 3.49Å; D341-H396 PolarHBondContact OD1-NE2 2.93Å
342S65.9Low61.3Low13 Ų1359.8 Ų59.89%0.09135%0.346CS..PPolyproline II helixtrans-73.6118.3174.771.90000110.4P339P339-S342 WeakPolarHBondContact O-CB 3.35Å; P339-S342 PolarHBondContact O-N 3.2Å; P339-S342 PolarHBondContact O-OG 3.01Å
343I58.7Low58.4Low138 Ų13867.9 Ų67.971%0.70838%0.381SS*.PPolyproline II helixtrans-88.5123.4-179.3-60.2169.8000109.2D341 P345 W425D341-I343 PolarHBondContact O-N 3.14Å; I343-P345 WeakPolarHBondContact O-CD 3.43Å; I343-W425 WeakPolarHBondContact O-CH2 2.9Å; I343-W425 WeakPolarHBondContact O-CZ3 3.45Å
344C56.7Low55.7Low23 Ų2372.5 Ų72.516%0.15541%0.413CS..PPolyproline II helixtrans-66.5121.9166.8-160.60000109.1H346 S423C344-H346 CarbonylContact O-C 3.59Å; C344-H346 PolarHBondContact O-N 2.56Å; C344-S423 PolarHBondContact SG-OG 3.46Å
345P50.9Low52.7Low65 Ų6577.3 Ų77.342%0.42244%0.442SS..SBendtrans-67.3-18.8173.625.5-32.2000112.4I343 E347I343-P345 WeakPolarHBondContact O-CD 3.43Å; P345-E347 PolarHBondContact O-N 3.23Å
346H46.8Very low49.5Very low91 Ų9184.6 Ų84.642%0.42148%0.477SS..SBendtrans-7191.8162.2-52.388.2000106.3C344 S348C344-H346 CarbonylContact O-C 3.59Å; C344-H346 PolarHBondContact O-N 2.56Å; H346-S348 PolarHBondContact O-N 2.8Å
347E40.8Very low46.6Very low127 Ų12787.3 Ų87.359%0.59350%0.498SS*.  trans-32115.7166.1-72.9169.6162.800107.4P345 D349 R371P345-E347 PolarHBondContact O-N 3.23Å; E347-D349 PolarHBondContact O-N 2.79Å; E347-R371 IonicContact OE1-NH2 2.94Å; E347-R371 PolarHBondContact OE1-NH2 3.36Å; E347-R371 IonicContact OE2-NH2 2.96Å; E347-R371 PolarHBondContact OE2-NH2 2.85Å
348S36.7Very low43.9Very low91 Ų9190.8 Ų90.864%0.63652%0.523SS*.  trans-70.352.3178.153.10000110H346 M350H346-S348 PolarHBondContact O-N 2.8Å; S348-M350 PolarHBondContact O-N 3.41Å
349D31.6Very low41.4Very low127 Ų12798 Ų9868%0.67956%0.561SS**  trans-78.461.2165.3-89.9-5.8000108.1E347E347-D349 PolarHBondContact O-N 2.79Å
350M32.1Very low39Very low122 Ų122109 Ų10960%0.60160%0.601SS**  trans-134.874.3159.8-70.6-152.4-158.200109.3S348 G352 V355S348-M350 PolarHBondContact O-N 3.41Å; M350-G352 PolarHBondContact O-N 3.44Å; M350-V355 HydrophobicContact CE-CB 3.66Å; M350-V355 HydrophobicContact CE-CG1 4.34Å; M350-V355 HydrophobicContact CE-CG2 3.21Å; M350-V355 HydrophobicContact SD-CB 4.01Å; M350-V355 HydrophobicContact SD-CG2 3.51Å; M350-V355 VanDerWaalsContact SD-CG2 3.51Å
351N29.1Very low37Very low158 Ų158116.1 Ų116.185%0.84562%0.623SS**SBendtrans-49.388142.3-106-13.9000108.5K353N351-K353 PolarHBondContact O-N 2.86Å
352G28.5Very low35Very low83 Ų83118.8 Ų118.886%0.85664%0.637SS**SBendtrans48.43.4154.700000120.1M350 S354M350-G352 PolarHBondContact O-N 3.44Å; G352-S354 PolarHBondContact O-N 3.46Å
353K26.1Very low33.3Very low175 Ų175123.3 Ų123.376%0.76167%0.669SS**  trans-98.7102.1-178.7-72.4-172.6179.1-177.30105.9N351 V355N351-K353 PolarHBondContact O-N 2.86Å; K353-V355 PolarHBondContact O-N 2.68Å
354S26.1Very low31.9Very low99 Ų99121 Ų12169%0.69267%0.665SS**  trans-39.9102.8165.251.30000109.4G352 Q356G352-S354 PolarHBondContact O-N 3.46Å; S354-Q356 PolarHBondContact O-N 2.84Å
355V25.3Very low30.6Very low100 Ų100127.4 Ų127.461%0.60670%0.697SS**  trans-6892.8166.7170.10000105.9M350 K353 A357M350-V355 HydrophobicContact CE-CB 3.66Å; M350-V355 HydrophobicContact CE-CG1 4.34Å; M350-V355 HydrophobicContact CE-CG2 3.21Å; M350-V355 HydrophobicContact SD-CB 4.01Å; M350-V355 HydrophobicContact SD-CG2 3.51Å; M350-V355 VanDerWaalsContact SD-CG2 3.51Å; K353-V355 PolarHBondContact O-N 2.68Å; V355-A357 PolarHBondContact O-N 2.74Å
356Q24.7Very low29.6Very low155 Ų155129.5 Ų129.572%0.72471%0.711SS**  trans-61.1116.6156.7-72.8-174.8-1.900105.2S354 T358S354-Q356 PolarHBondContact O-N 2.84Å; Q356-T358 PolarHBondContact O-N 3.39Å
357A27.8Very low29.1Very low67 Ų67130.8 Ų130.855%0.55473%0.727SS**SBendtrans-70.769.3-174.100000111.2V355V355-A357 PolarHBondContact O-N 2.74Å
358T25.7Very low28.8Very low112 Ų112131.4 Ų131.469%0.68774%0.735SS**  trans-155.953.2170.758.20000111.5Q356Q356-T358 PolarHBondContact O-N 3.39Å
359D24.9Very low28.7Very low165 Ų165135.6 Ų135.688%0.88274%0.742SS**  trans-108.6101163.4-79.7-29.3000109.4
360R25.2Very low28.8Very low236 Ų236139.1 Ų139.189%0.89175%0.747SS**  trans-51.8132.7172.1-68.8174.4175.1178.9-2.3108.5D362R360-D362 PolarHBondContact O-N 3.35Å
361Y26.4Very low28.7Very low201 Ų201142.2 Ų142.279%0.78875%0.752SS**  trans-36.2101.7162.2-106.6-108.9000110.6S363Y361-S363 PolarHBondContact O-N 3.08Å
362D25.4Very low28.7Very low147 Ų147143.5 Ų143.579%0.78675%0.745SS**  trans-91.799.5164.2-142.1-13.6000107R360 S364R360-D362 PolarHBondContact O-N 3.35Å; D362-S364 VanDerWaalsContact C-N 3.29Å; D362-S364 PolarHBondContact O-N 3.25Å
363S30.3Very low28.7Very low108 Ų108146.5 Ų146.576%0.75574%0.741SS**  trans-71.280.1-178.155.70000110.1Y361Y361-S363 PolarHBondContact O-N 3.08Å
364S28.8Very low29.1Very low89 Ų89143.6 Ų143.662%0.62273%0.733SS**  trans-152.857.5168.757.20000112.1D362D362-S364 VanDerWaalsContact C-N 3.29Å; D362-S364 PolarHBondContact O-N 3.25Å
365N29.8Very low29.3Very low157 Ų157142.9 Ų142.984%0.8473%0.728SS**SBendtrans-147.9137.6153.1-97.1-40.9000110.6
366P30.4Very low29.5Very low109 Ų109146.3 Ų146.371%0.70874%0.737SS**  trans-67.6151.5-168.227.6-32.9000111.7N368P366-N368 PolarHBondContact O-N 3.26Å
367P35.7Very low29.7Very low118 Ų118142 Ų14277%0.76672%0.718SS**  trans-74.6105.2-159.130-33.4000110.4K369P367-K369 VanDerWaalsContact C-N 3.25Å; P367-K369 PolarHBondContact O-N 2.74Å
368N34.7Very low29.8Very low140 Ų140145.8 Ų145.875%0.74972%0.724SS**  trans-69.591.4162.7-129.7-8000107.1P366 Y370 R371P366-N368 PolarHBondContact O-N 3.26Å; N368-Y370 PolarHBondContact O-N 2.65Å; N368-R371 PolarHBondContact O-N 3.18Å
369K34.7Very low30.3Very low180 Ų180142.5 Ų142.578%0.78371%0.705SS**THydrogen-bonded Turntrans-61.77.9-167.1-142.7178.9-176.2-178.10115.5P367P367-K369 VanDerWaalsContact C-N 3.25Å; P367-K369 PolarHBondContact O-N 2.74Å
370Y33.4Very low30.8Very low200 Ų200137 Ų13778%0.78468%0.679SS**THydrogen-bonded Turntrans-124.7-3.1-177.8-68.9-79.6000115N368 R372N368-Y370 PolarHBondContact O-N 2.65Å; Y370-R372 PolarHBondContact O-N 3.12Å
371R29.1Very low31.3Very low188 Ų188135.2 Ų135.271%0.70968%0.677SS**  trans-81.967.6163.7-94.7-173.4173.7-177.4-4.5108.6E347 N368 D373E347-R371 IonicContact OE1-NH2 2.94Å; E347-R371 PolarHBondContact OE1-NH2 3.36Å; E347-R371 IonicContact OE2-NH2 2.96Å; E347-R371 PolarHBondContact OE2-NH2 2.85Å; N368-R371 PolarHBondContact O-N 3.18Å; R371-D373 PolarHBondContact O-N 3.17Å; R371-D373 VanDerWaalsContact O-N 3.16Å
372R29.9Very low31.9Very low185 Ų185128.3 Ų128.370%0.69866%0.658SS**  trans-63.3110.9170.5-75.2-179.7178.7156.1-1.7108.2Y370 L374Y370-R372 PolarHBondContact O-N 3.12Å; R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 3.43Å
373D29.3Very low32.6Very low145 Ų145124.3 Ų124.378%0.77564%0.635SS**  trans1663.4147.8-54.9-36.2000116.3R371 C375R371-D373 PolarHBondContact O-N 3.17Å; R371-D373 VanDerWaalsContact O-N 3.16Å; D373-C375 PolarHBondContact O-N 3.45Å
374L33.3Very low33.1Very low114 Ų114123.4 Ų123.460%0.59763%0.629SS**  trans-65.589.4157.8-76.2170.4000105.5R372 Q376R372-L374 VanDerWaalsContact C-N 3.31Å; R372-L374 PolarHBondContact O-N 3.43Å; L374-Q376 PolarHBondContact O-N 2.86Å
375C31.1Very low33.9Very low85 Ų85127.5 Ų127.557%0.57463%0.631SS**  trans-28.1109.4178.1-130.20000109.7D373 I377D373-C375 PolarHBondContact O-N 3.45Å; C375-I377 HydrophobicContact CB-CD1 4.34Å; C375-I377 HydrophobicContact CB-CG1 4.01Å; C375-I377 PolarHBondContact O-N 3.45Å
376Q28.7Very low34.8Very low172 Ų172120.9 Ų120.980%0.80460%0.598SS**  trans-66.663.6172.3-70-178.1-6.400109.1L374 Q378L374-Q376 PolarHBondContact O-N 2.86Å; Q376-Q378 PolarHBondContact O-N 3.09Å; Q376-Q378 VanDerWaalsContact O-N 3.12Å
377I28.9Very low36.1Very low64 Ų64116 Ų11633%0.32857%0.566SS.*  trans-70.8112.3169.5-55.1173000103.4C375 P379 L424C375-I377 HydrophobicContact CB-CD1 4.34Å; C375-I377 HydrophobicContact CB-CG1 4.01Å; C375-I377 PolarHBondContact O-N 3.45Å; I377-P379 WeakPolarHBondContact O-CD 3.33Å; I377-L424 HydrophobicContact CB-CD1 3.51Å; I377-L424 HydrophobicContact CG2-CD1 3.4Å; I377-L424 VanDerWaalsContact CG2-CD1 3.4Å; I377-L424 HydrophobicContact CG2-CD2 4.11Å; I377-L424 HydrophobicContact CG2-CG 4.4Å; I377-L424 WeakPolarHBondContact O-CD1 3.39Å
378Q30.3Very low37.3Very low147 Ų147111 Ų11169%0.68753%0.532SS*.PPolyproline II helixtrans-64125.9170.1-78.8-172.7-100107.4Q376Q376-Q378 PolarHBondContact O-N 3.09Å; Q376-Q378 VanDerWaalsContact O-N 3.12Å
379P35.6Very low38.1Very low42 Ų42105.6 Ų105.627%0.27350%0.502SS..PPolyproline II helixtrans-70.1129.1-176.331.7-35000108.5I377 K422 L424 Q427I377-P379 WeakPolarHBondContact O-CD 3.33Å; P379-K422 WeakPolarHBondContact CB-O 3.42Å; P379-K422 WeakPolarHBondContact CG-O 3.35Å; P379-L424 VanDerWaalsContact CA-CD1 3.41Å; P379-L424 HydrophobicContact CB-CB 4.17Å; P379-L424 HydrophobicContact CB-CD1 3.64Å; P379-L424 HydrophobicContact CB-CG 3.64Å; P379-Q427 HydrophobicContact CB-CB 4.23Å; P379-Q427 HydrophobicContact CB-CG 4.29Å
380P36.8Very low38.7Very low51 Ų51102 Ų10233%0.33149%0.488SS..PPolyproline II helixtrans-61.6153.5-171.223.8-32.6000110.8S382 Q427P380-S382 PolarHBondContact O-N 3.44Å; P380-Q427 PolarHBondContact O-OE1 2.96Å
381K35.8Very low39.5Very low198 Ų19893.7 Ų93.786%0.86146%0.456SS*.PPolyproline II helixtrans-49.9120.7176.5-77.6-175.7-179.8177.90109.5M383K381-M383 PolarHBondContact O-N 3.23Å
382S38Very low40.2Very low55 Ų5587.1 Ų87.139%0.38543%0.434SS..  trans-49.7111179.9176.90000109.7P380 S384 Q390P380-S382 PolarHBondContact O-N 3.44Å; S382-S384 PolarHBondContact O-N 2.86Å; S382-Q390 PolarHBondContact O-NE2 2.81Å; S382-Q390 WeakPolarHBondContact OG-CG 3.25Å
383M39.3Very low40.7Very low64 Ų6479 Ų7932%0.31540%0.404SS..  trans-72114.4176-58.4-160-59.400106.5E143 K381 R385 A386 F431E143-M383 WeakPolarHBondContact OE1-CE 3.04Å; K381-M383 PolarHBondContact O-N 3.23Å; M383-R385 PolarHBondContact O-N 3.05Å; M383-A386 HydrophobicContact CB-CB 4.27Å; M383-A386 PolarHBondContact O-N 3.49Å; M383-A386 VanDerWaalsContact O-N 3.08Å; M383-F431 HydrophobicContact CE-CB 4.3Å; M383-F431 HydrophobicContact CE-CD1 3.93Å; M383-F431 HydrophobicContact CE-CD2 3.39Å; M383-F431 HydrophobicContact CE-CE1 4.07Å; M383-F431 HydrophobicContact CE-CE2 3.58Å; M383-F431 HydrophobicContact CE-CG 3.61Å; M383-F431 HydrophobicContact CE-CZ 3.92Å; M383-F431 HydrophobicContact SD-CE2 4.45Å
384S41.2Very low41.4Very low89 Ų8972.9 Ų72.962%0.62237%0.371SS*.THydrogen-bonded Turntrans-58-11.1172.156.20000112.9S382S382-S384 PolarHBondContact O-N 2.86Å
385R46Very low41.9Very low174 Ų17471.4 Ų71.466%0.65736%0.36SS*.THydrogen-bonded Turntrans-114.625.1-178.1-59.1-173.8-177.2-174-1112.9S142 M383S142-R385 WeakPolarHBondContact CB-O 3.34Å; S142-R385 WeakPolarHBondContact O-CB 3.35Å; S142-R385 PolarHBondContact OG-O 3.2Å; M383-R385 PolarHBondContact O-N 3.05Å
386A48.9Very low42.3Very low19 Ų1972.3 Ų72.316%0.15736%0.355CS..SBendtrans-84.3157167.200000110.1M383 Q388M383-A386 HydrophobicContact CB-CB 4.27Å; M383-A386 PolarHBondContact O-N 3.49Å; M383-A386 VanDerWaalsContact O-N 3.08Å; A386-Q388 HydrophobicContact CB-CB 4.26Å; A386-Q388 HydrophobicContact CB-CG 4.46Å; A386-Q388 PolarHBondContact O-N 2.99Å; A386-Q388 VanDerWaalsContact O-O 3.09Å
387I57.8Low42.7Very low6 Ų668.3 Ų68.33%0.03134%0.344CS..SBendtrans-52.4-17.9168.5-53.1168.7000111.4K21 L135 E138 A139 W308 C334K21-I387 PolarHBondContact NZ-O 2.91Å; L135-I387 HydrophobicContact CD2-CG2 4.09Å; E138-I387 HydrophobicContact CB-CG2 4.41Å; A139-I387 HydrophobicContact CB-CD1 3.52Å; A139-I387 HydrophobicContact CB-CG1 4.19Å; W308-I387 HydrophobicContact CH2-CD1 3.85Å; C334-I387 HydrophobicContact CB-CB 4.32Å; C334-I387 HydrophobicContact CB-CG2 3.74Å
388Q60.7Low43Very low12 Ų1273.2 Ų73.26%0.05637%0.368CS..SBendtrans-93.7131179.6-45.6-176.3-3.500110D330 L333 C334 A386 Q427D330-Q388 PolarHBondContact OD2-NE2 2.8Å; L333-Q388 HydrophobicContact CB-CG 4.18Å; C334-Q388 PolarHBondContact SG-NE2 2.97Å; A386-Q388 HydrophobicContact CB-CB 4.26Å; A386-Q388 HydrophobicContact CB-CG 4.46Å; A386-Q388 PolarHBondContact O-N 2.99Å; A386-Q388 VanDerWaalsContact O-O 3.09Å; Q388-Q427 PolarHBondContact OE1-O 3.13Å
389F51.7Low43.2Very low28 Ų2875.8 Ų75.812%0.12338%0.377CS..PPolyproline II helixtrans-56.9150.6171.2-68.6-71.2000111.4F5 K21 M55 F56 K57 F337 R391F5-F389 HydrophobicContact CD2-CD1 4.27Å; F5-F389 AromaticContact CD2-CE1 3.55Å; F5-F389 HydrophobicContact CD2-CE1 3.55Å; F5-F389 HydrophobicContact CE2-CD1 4.01Å; F5-F389 AromaticContact CE2-CE1 3.43Å; F5-F389 HydrophobicContact CE2-CE1 3.43Å; F5-F389 VanDerWaalsContact CE2-CE1 3.43Å; F5-F389 HydrophobicContact CE2-CZ 4.48Å; K21-F389 HydrophobicContact CB-CE1 4.41Å; K21-F389 HydrophobicContact CB-CZ 3.93Å; K21-F389 HydrophobicContact CG-CZ 4.44Å; M55-F389 HydrophobicContact CB-CD2 4.49Å; M55-F389 HydrophobicContact CB-CE2 4.14Å; M55-F389 HydrophobicContact CB-CZ 4.28Å; M55-F389 HydrophobicContact SD-CB 3.99Å; M55-F389 HydrophobicContact SD-CD1 4.06Å; M55-F389 HydrophobicContact SD-CD2 4.13Å; M55-F389 HydrophobicContact SD-CG 3.82Å; F56-F389 WeakPolarHBondContact O-CZ 3.46Å; K57-F389 HydrophobicContact CD-CD2 4.38Å; K57-F389 HydrophobicContact CD-CE2 4.06Å; K57-F389 HydrophobicContact CG-CD2 4.24Å; K57-F389 HydrophobicContact CG-CE2 3.47Å; K57-F389 VanDerWaalsContact CG-CE2 3.47Å; K57-F389 HydrophobicContact CG-CZ 4.28Å; F337-F389 HydrophobicContact CD1-CD2 4.48Å; F337-F389 AromaticContact CE1-CD2 3.47Å; F337-F389 HydrophobicContact CE1-CD2 3.47Å; F337-F389 VanDerWaalsContact CE1-CD2 3.47Å; F337-F389 AromaticContact CE1-CE2 3.67Å; F337-F389 HydrophobicContact CE1-CE2 3.67Å; F337-F389 AromaticContact CZ-CD2 3.94Å; F337-F389 HydrophobicContact CZ-CD2 3.94Å; F337-F389 AromaticContact CZ-CE2 3.62Å; F337-F389 HydrophobicContact CZ-CE2 3.62Å; F389-R391 WeakPolarHBondContact O-CG 2.93Å; F389-R391 PolarHBondContact O-N 2.6Å
390Q47.4Very low43.1Very low105 Ų10578 Ų7849%0.49139%0.393SS..SBendtrans-68.6121.1163.7-101.6175.1-8.300109.3S382S382-Q390 PolarHBondContact O-NE2 2.81Å; S382-Q390 WeakPolarHBondContact OG-CG 3.25Å
391R50.1Low42.9Very low25 Ų2587.2 Ų87.29%0.09442%0.421CS..PPolyproline II helixtrans-99135.8-140-66.9178.8136.4159.597.6118.7L333 F389 F420 H426 Q427L333-R391 VanDerWaalsContact CD1-CZ 3.44Å; L333-R391 VanDerWaalsContact CD1-NH2 3.26Å; L333-R391 VanDerWaalsContact CG-NH1 3.25Å; F389-R391 WeakPolarHBondContact O-CG 2.93Å; F389-R391 PolarHBondContact O-N 2.6Å; R391-F420 WeakPolarHBondContact O-CA 3.24Å; R391-F420 WeakPolarHBondContact O-CD1 3.29Å; R391-F420 WeakPolarHBondContact O-CE1 3.18Å; R391-F420 WeakPolarHBondContact O-CG 3.31Å; R391-H426 WeakPolarHBondContact CD-O 3.27Å; R391-H426 PolarHBondContact NE-O 2.96Å; R391-H426 PolarHBondContact NH1-O 3.01Å; R391-H426 PolarHBondContact NH2-O 3.33Å; R391-Q427 PolarHBondContact NH2-O 3.16Å
392I43.1Very low42.8Very low49 Ų4984.4 Ų84.425%0.25142%0.415SS..PPolyproline II helixtrans-103.2139.3160.3-42179.3000108.2M55 W418 F420M55-I392 HydrophobicContact CE-CB 4.38Å; M55-I392 HydrophobicContact CE-CD1 4.27Å; M55-I392 HydrophobicContact CE-CG1 4.2Å; I392-W418 HydrophobicContact CG2-CB 3.39Å; I392-F420 HydrophobicContact CG1-CZ 4.39Å
393M41.4Very low42.6Very low14 Ų1491.2 Ų91.27%0.06944%0.44CS..EExtended strand (participates in β ladder)trans-133.4137.5-171.7-117.5-148.684.400111.2P338 F395 W418 G419 C421 H426P338-M393 HydrophobicContact CG-CG 4.29Å; M393-F395 PolarHBondContact O-N 3.01Å; M393-W418 CarbonylContact O-C 3.47Å; M393-W418 WeakPolarHBondContact O-CA 3.24Å; M393-G419 WeakPolarHBondContact CA-O 3.37Å; M393-G419 WeakPolarHBondContact CB-O 3.32Å; M393-G419 PolarHBondContact N-O 2.76Å; M393-G419 PolarHBondContact O-N 2.7Å; M393-G419 VanDerWaalsContact O-O 3.13Å; M393-C421 HydrophobicContact CB-CB 3.91Å; M393-C421 HydrophobicContact CG-CB 3.77Å; M393-C421 HydrophobicContact SD-CB 3.03Å; M393-C421 WeakPolarHBondContact SD-CB 3.26Å; M393-C421 VanDerWaalsContact SD-SG 3.64Å; M393-H426 VanDerWaalsContact CE-CE1 3.48Å; M393-H426 WeakPolarHBondContact CE-CE1 3.33Å; M393-H426 WeakPolarHBondContact CE-NE2 3.45Å; M393-H426 HydrophobicContact CG-CB 4.42Å; M393-H426 HydrophobicContact SD-CB 3.77Å; M393-H426 PolarHBondContact SD-CD2 2.9Å; M393-H426 PolarHBondContact SD-CE1 2.87Å; M393-H426 PolarHBondContact SD-ND1 2.71Å; M393-H426 PolarHBondContact SD-NE2 3.32Å
394Q43Very low42.5Very low17 Ų1792.7 Ų92.78%0.07946%0.457CS..EExtended strand (participates in β ladder)trans-72.8118.3179.6-154.4-174.7-57.600111.1K416 W418Q394-K416 HydrophobicContact CG-CB 3.76Å; Q394-K416 HydrophobicContact CG-CG 4.31Å; Q394-K416 VanDerWaalsContact NE2-CG 3.29Å; Q394-W418 HydrophobicContact CB-CD2 3.72Å; Q394-W418 HydrophobicContact CB-CE3 3.59Å; Q394-W418 HydrophobicContact CB-CG 4.45Å; Q394-W418 HydrophobicContact CB-CH2 3.88Å; Q394-W418 HydrophobicContact CB-CZ2 4.04Å; Q394-W418 HydrophobicContact CB-CZ3 3.65Å; Q394-W418 HydrophobicContact CG-CD2 3.87Å; Q394-W418 HydrophobicContact CG-CE3 4.25Å; Q394-W418 HydrophobicContact CG-CG 4.38Å; Q394-W418 HydrophobicContact CG-CH2 4.22Å; Q394-W418 HydrophobicContact CG-CZ2 3.89Å; Q394-W418 HydrophobicContact CG-CZ3 4.4Å
395F44.2Very low42.3Very low84 Ų8493.9 Ų93.937%0.36847%0.465SS..EExtended strand (participates in β ladder)trans-89.9129.3165.7-63.8-76.3000109.9M393 R417 G419M393-F395 PolarHBondContact O-N 3.01Å; F395-R417 WeakPolarHBondContact CA-O 3.23Å; F395-R417 VanDerWaalsContact CB-O 3.26Å; F395-R417 WeakPolarHBondContact CB-O 3.42Å; F395-R417 PolarHBondContact N-O 3.25Å; F395-R417 PolarHBondContact O-N 2.78Å; F395-G419 VanDerWaalsContact CE2-CA 3.46Å
396H40.4Very low42Very low103 Ų10392.3 Ų92.348%0.47747%0.47SS..PPolyproline II helixtrans-75.3135.1160.8-62.169.1000108.5P340 D341 M398P340-H396 PolarHBondContact O-CE1 2.59Å; D341-H396 IonicContact OD1-CE1 3.98Å; D341-H396 PolarHBondContact OD1-CE1 3.02Å; D341-H396 IonicContact OD1-NE2 3.49Å; D341-H396 PolarHBondContact OD1-NE2 2.93Å; H396-M398 PolarHBondContact O-N 3.36Å; H396-M398 VanDerWaalsContact O-N 3.12Å
397P36.9Very low41.3Very low88 Ų88101 Ų10157%0.57151%0.507SS*.PPolyproline II helixtrans-58.2120.7164.3-1426.5000107.8K399P397-K399 PolarHBondContact O-N 3.36Å; P397-K399 VanDerWaalsContact O-N 3.15Å
398M34Very low40Very low167 Ų167106.2 Ų106.282%0.82354%0.539SS*.PPolyproline II helixtrans-52.9125.1166.2-103.3-161.5173.600107.1H396 S400H396-M398 PolarHBondContact O-N 3.36Å; H396-M398 VanDerWaalsContact O-N 3.12Å; M398-S400 PolarHBondContact O-N 2.91Å
399K34.8Very low38.7Very low202 Ų202112.8 Ų112.888%0.87858%0.58SS**  trans-56.3106.8164.7-76.9-175.9178.2179.90106P397 R401P397-K399 PolarHBondContact O-N 3.36Å; P397-K399 VanDerWaalsContact O-N 3.15Å; K399-R401 PolarHBondContact O-N 3.32Å
400S33.6Very low37.9Very low87 Ų87115.4 Ų115.461%0.60860%0.602SS**  trans-56.9110.7175.153.90000107M398 L402M398-S400 PolarHBondContact O-N 2.91Å; S400-L402 PolarHBondContact O-N 2.68Å
401R32.4Very low37.2Very low245 Ų245119.8 Ų119.893%0.92562%0.62SS**  trans-70.565.3161.5-73.2-172.7-176.5-175.92.5107.4K399K399-R401 PolarHBondContact O-N 3.32Å
402L34.5Very low36.6Very low139 Ų139126 Ų12673%0.72865%0.65SS**  trans-10999.4167.3-79.6163.9000105.4S400 S404S400-L402 PolarHBondContact O-N 2.68Å; L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 3.38Å
403H34.2Very low36.2Very low198 Ų198128 Ų12892%0.91766%0.664SS**  trans-54.299.1158.8-78.3-74.6000108
404S37.1Very low36.2Very low95 Ų95136.4 Ų136.466%0.66470%0.701SS**  trans-152.4112.815260.90000108.2L402 D406L402-S404 VanDerWaalsContact C-N 3.31Å; L402-S404 PolarHBondContact O-N 3.38Å; S404-D406 PolarHBondContact O-N 2.79Å
405S37Very low35.9Very low115 Ų115142.4 Ų142.480%0.80473%0.727SS**  trans-48.8102.7161.148.30000109.1
406D38Very low35.9Very low141 Ų141143.9 Ų143.975%0.75473%0.733SS**  trans-157.8107.3148.1-92.6-29.8000108.2S404 T408S404-D406 PolarHBondContact O-N 2.79Å; D406-T408 PolarHBondContact O-N 3.28Å
407Q35Very low36Very low201 Ų201147.8 Ų147.894%0.93974%0.743SS**  trans-67.783.2173.6-68.2178.410.700108.3
408T31.1Very low36.4Very low115 Ų115146.5 Ų146.571%0.70673%0.727SS**  trans-109.8116.6158.842.80000107.5D406 S410D406-T408 PolarHBondContact O-N 3.28Å; T408-S410 PolarHBondContact O-N 2.82Å
409T33.7Very low37.1Very low150 Ų150139.3 Ų139.392%0.9270%0.696SS**  trans-60.973.4175.145.80000110.2K411T409-K411 PolarHBondContact O-N 3.01Å
410S33.4Very low37.8Very low83 Ų83136.8 Ų136.858%0.5869%0.685SS**  trans-81111.5160.462.20000106T408 E412T408-S410 PolarHBondContact O-N 2.82Å; S410-E412 PolarHBondContact O-N 3.37Å
411K34.1Very low38.5Very low198 Ų198133.8 Ų133.886%0.86166%0.664SS**  trans-56.885.8148.7-75.2177.31761780104.8T409 T413T409-K411 PolarHBondContact O-N 3.01Å; K411-T413 PolarHBondContact O-N 3.26Å
412E36Very low39.4Very low154 Ų154129.6 Ų129.672%0.7265%0.652SS**  trans-61.184157.3-82.9-172.2159.500104.4S410 K414S410-E412 PolarHBondContact O-N 3.37Å; E412-K414 PolarHBondContact O-N 3.43Å
413T35.9Very low40.2Very low91 Ų91123.9 Ų123.956%0.55862%0.624SS**  trans-41.5103.5150.833.60000104.5K411 F415K411-T413 PolarHBondContact O-N 3.26Å; T413-F415 VanDerWaalsContact CB-CD2 3.48Å; T413-F415 HydrophobicContact CG2-CE2 3.98Å; T413-F415 HydrophobicContact CG2-CZ 4.45Å; T413-F415 WeakPolarHBondContact O-CD2 3.49Å; T413-F415 PolarHBondContact O-N 3.04Å; T413-F415 VanDerWaalsContact OG1-CD2 3.24Å; T413-F415 WeakPolarHBondContact OG1-CD2 3.4Å; T413-F415 WeakPolarHBondContact OG1-CE2 3.44Å
414K40.2Very low40.9Very low191 Ų191116.3 Ų116.383%0.8359%0.59SS**  trans-61.870171.6-72.5178.6176.5178.10106.8E412 K416E412-K414 PolarHBondContact O-N 3.43Å; K414-K416 VanDerWaalsContact C-N 3.33Å; K414-K416 PolarHBondContact O-N 2.71Å
415F37.5Very low41.7Very low144 Ų144113.9 Ų113.963%0.63257%0.566SS**  trans-66.3104171.2-81.5-72.5000104.5T413 R417T413-F415 VanDerWaalsContact CB-CD2 3.48Å; T413-F415 HydrophobicContact CG2-CE2 3.98Å; T413-F415 HydrophobicContact CG2-CZ 4.45Å; T413-F415 WeakPolarHBondContact O-CD2 3.49Å; T413-F415 PolarHBondContact O-N 3.04Å; T413-F415 VanDerWaalsContact OG1-CD2 3.24Å; T413-F415 WeakPolarHBondContact OG1-CD2 3.4Å; T413-F415 WeakPolarHBondContact OG1-CE2 3.44Å; F415-R417 VanDerWaalsContact C-N 3.35Å; F415-R417 PolarHBondContact O-N 3.4Å
416K43.8Very low42.6Very low114 Ų114108.4 Ų108.450%0.49653%0.528SS..  trans-52.5102.8164-66.6-176.8163-170.20105.8Q394 K414Q394-K416 HydrophobicContact CG-CB 3.76Å; Q394-K416 HydrophobicContact CG-CG 4.31Å; Q394-K416 VanDerWaalsContact NE2-CG 3.29Å; K414-K416 VanDerWaalsContact C-N 3.33Å; K414-K416 PolarHBondContact O-N 2.71Å
417R42.3Very low43.4Very low185 Ų185103.3 Ų103.370%0.69850%0.5SS*.EExtended strand (participates in β ladder)trans-90.5112.3-177.1-83.8-170.2176.3-178.80.6107.8F395 F415F395-R417 WeakPolarHBondContact CA-O 3.23Å; F395-R417 VanDerWaalsContact CB-O 3.26Å; F395-R417 WeakPolarHBondContact CB-O 3.42Å; F395-R417 PolarHBondContact N-O 3.25Å; F395-R417 PolarHBondContact O-N 2.78Å; F415-R417 VanDerWaalsContact C-N 3.35Å; F415-R417 PolarHBondContact O-N 3.4Å
418W45.6Very low44.7Very low62 Ų6294 Ų9424%0.23546%0.457CS..EExtended strand (participates in β ladder)trans-91.8143.6179.2-53.776.2000111.1C52 E53 I392 M393 Q394C52-W418 WeakPolarHBondContact SG-CZ3 3.16Å; E53-W418 HydrophobicContact CG-CB 4.19Å; E53-W418 HydrophobicContact CG-CD2 4.3Å; E53-W418 HydrophobicContact CG-CG 3.97Å; E53-W418 VanDerWaalsContact OE1-CG 3.29Å; I392-W418 HydrophobicContact CG2-CB 3.39Å; M393-W418 CarbonylContact O-C 3.47Å; M393-W418 WeakPolarHBondContact O-CA 3.24Å; Q394-W418 HydrophobicContact CB-CD2 3.72Å; Q394-W418 HydrophobicContact CB-CE3 3.59Å; Q394-W418 HydrophobicContact CB-CG 4.45Å; Q394-W418 HydrophobicContact CB-CH2 3.88Å; Q394-W418 HydrophobicContact CB-CZ2 4.04Å; Q394-W418 HydrophobicContact CB-CZ3 3.65Å; Q394-W418 HydrophobicContact CG-CD2 3.87Å; Q394-W418 HydrophobicContact CG-CE3 4.25Å; Q394-W418 HydrophobicContact CG-CG 4.38Å; Q394-W418 HydrophobicContact CG-CH2 4.22Å; Q394-W418 HydrophobicContact CG-CZ2 3.89Å; Q394-W418 HydrophobicContact CG-CZ3 4.4Å
419G48.5Very low46.7Very low15 Ų1589 Ų8916%0.15543%0.428CS..EExtended strand (participates in β ladder)trans-165.8175.9168.800000112.9M393 F395 C421M393-G419 WeakPolarHBondContact CA-O 3.37Å; M393-G419 WeakPolarHBondContact CB-O 3.32Å; M393-G419 PolarHBondContact N-O 2.76Å; M393-G419 PolarHBondContact O-N 2.7Å; M393-G419 VanDerWaalsContact O-O 3.13Å; F395-G419 VanDerWaalsContact CE2-CA 3.46Å; G419-C421 PolarHBondContact O-N 3.17Å
420F49.8Very low49Very low149 Ų14982 Ų8265%0.65438%0.384SS*.  trans-71.9126.9-167.2-65.9-91.8000112.3R391 I392R391-F420 WeakPolarHBondContact O-CA 3.24Å; R391-F420 WeakPolarHBondContact O-CD1 3.29Å; R391-F420 WeakPolarHBondContact O-CE1 3.18Å; R391-F420 WeakPolarHBondContact O-CG 3.31Å; I392-F420 HydrophobicContact CG1-CZ 4.39Å
421C48.8Very low51.4Low25 Ų2578.7 Ų78.717%0.16936%0.36CS..  trans-111.1130.1168.5-174.30000110.5M393 G419 S423 H426M393-C421 HydrophobicContact CB-CB 3.91Å; M393-C421 HydrophobicContact CG-CB 3.77Å; M393-C421 HydrophobicContact SD-CB 3.03Å; M393-C421 WeakPolarHBondContact SD-CB 3.26Å; M393-C421 VanDerWaalsContact SD-SG 3.64Å; G419-C421 PolarHBondContact O-N 3.17Å; C421-S423 PolarHBondContact SG-OG 3.25Å; C421-H426 HydrophobicContact CB-CB 3.8Å; C421-H426 PolarHBondContact SG-ND1 3.3Å
422K50.4Low53.8Low157 Ų15769.6 Ų69.668%0.68332%0.32SS*.  trans-100.3-5.3-178.2-68.2-176.3-178.81770113.9P379 Q427P379-K422 WeakPolarHBondContact CB-O 3.42Å; P379-K422 WeakPolarHBondContact CG-O 3.35Å; K422-Q427 VanDerWaalsContact CA-NE2 3.3Å; K422-Q427 VanDerWaalsContact CB-NE2 3.35Å; K422-Q427 VanDerWaalsContact O-CG 3.24Å; K422-Q427 WeakPolarHBondContact O-CG 3.42Å; K422-Q427 PolarHBondContact O-NE2 2.63Å
423S52Low56.1Low18 Ų1862.6 Ų62.613%0.12629%0.289CS..SBendtrans-58.9151.4179.865.30000111.8C344 C421 W425 H426 Q427C344-S423 PolarHBondContact SG-OG 3.46Å; C421-S423 PolarHBondContact SG-OG 3.25Å; S423-W425 PolarHBondContact O-N 3Å; S423-H426 CarbonylContact O-C 3.5Å; S423-H426 VanDerWaalsContact O-CA 3.28Å; S423-H426 WeakPolarHBondContact O-CA 3.46Å; S423-H426 PolarHBondContact O-N 3.47Å; S423-H426 WeakPolarHBondContact OG-CB 3.28Å; S423-H426 PolarHBondContact OG-N 3.08Å; S423-H426 PolarHBondContact OG-ND1 3.09Å; S423-Q427 PolarHBondContact O-N 2.78Å
424L48.1Very low58.4Low39 Ų3961.8 Ų61.820%0.20428%0.284CS..G310 helixtrans-55.3-39.3174.9-102.5116.8000112.5I377 P379 H426 Q427 G428I377-L424 HydrophobicContact CB-CD1 3.51Å; I377-L424 HydrophobicContact CG2-CD1 3.4Å; I377-L424 VanDerWaalsContact CG2-CD1 3.4Å; I377-L424 HydrophobicContact CG2-CD2 4.11Å; I377-L424 HydrophobicContact CG2-CG 4.4Å; I377-L424 WeakPolarHBondContact O-CD1 3.39Å; P379-L424 VanDerWaalsContact CA-CD1 3.41Å; P379-L424 HydrophobicContact CB-CB 4.17Å; P379-L424 HydrophobicContact CB-CD1 3.64Å; P379-L424 HydrophobicContact CB-CG 3.64Å; L424-H426 PolarHBondContact O-N 3.03Å; L424-Q427 PolarHBondContact O-N 3.29Å; L424-G428 PolarHBondContact O-N 3.36Å
425W54.8Low60.7Low44 Ų4459.7 Ų59.717%0.16728%0.275CS..G310 helixtrans-47.1-32.5171.9-132.474.8000112.7R293 W297 I343 S423R293-W425 HydrophobicContact CB-CZ2 3.76Å; R293-W425 HydrophobicContact CG-CH2 4.5Å; R293-W425 HydrophobicContact CG-CZ2 3.36Å; R293-W425 VanDerWaalsContact CG-NE1 3.35Å; W297-W425 HydrophobicContact CH2-CH2 4.31Å; W297-W425 HydrophobicContact CH2-CZ3 4.47Å; W297-W425 AromaticContact CZ2-CH2 3.77Å; W297-W425 HydrophobicContact CZ2-CH2 3.77Å; W297-W425 HydrophobicContact CZ2-CZ2 4.29Å; W297-W425 HydrophobicContact CZ2-CZ3 4.16Å; I343-W425 WeakPolarHBondContact O-CH2 2.9Å; I343-W425 WeakPolarHBondContact O-CZ3 3.45Å; S423-W425 PolarHBondContact O-N 3Å
426H56.1Low63.2Low1 Ų153 Ų531%0.00525%0.246CC..G310 helixtrans-118.38.8179.7-59.8111.1000114.1R391 M393 C421 S423 L424R391-H426 WeakPolarHBondContact CD-O 3.27Å; R391-H426 PolarHBondContact NE-O 2.96Å; R391-H426 PolarHBondContact NH1-O 3.01Å; R391-H426 PolarHBondContact NH2-O 3.33Å; M393-H426 VanDerWaalsContact CE-CE1 3.48Å; M393-H426 WeakPolarHBondContact CE-CE1 3.33Å; M393-H426 WeakPolarHBondContact CE-NE2 3.45Å; M393-H426 HydrophobicContact CG-CB 4.42Å; M393-H426 HydrophobicContact SD-CB 3.77Å; M393-H426 PolarHBondContact SD-CD2 2.9Å; M393-H426 PolarHBondContact SD-CE1 2.87Å; M393-H426 PolarHBondContact SD-ND1 2.71Å; M393-H426 PolarHBondContact SD-NE2 3.32Å; C421-H426 HydrophobicContact CB-CB 3.8Å; C421-H426 PolarHBondContact SG-ND1 3.3Å; S423-H426 CarbonylContact O-C 3.5Å; S423-H426 VanDerWaalsContact O-CA 3.28Å; S423-H426 WeakPolarHBondContact O-CA 3.46Å; S423-H426 PolarHBondContact O-N 3.47Å; S423-H426 WeakPolarHBondContact OG-CB 3.28Å; S423-H426 PolarHBondContact OG-N 3.08Å; S423-H426 PolarHBondContact OG-ND1 3.09Å; L424-H426 PolarHBondContact O-N 3.03Å
427Q54.2Low65.5Low33 Ų3347.5 Ų47.515%0.15422%0.222CC..THydrogen-bonded Turntrans-112.5-24.3172.5-79.7-166.4300111.3P379 P380 Q388 R391 K422 S423 L424P379-Q427 HydrophobicContact CB-CB 4.23Å; P379-Q427 HydrophobicContact CB-CG 4.29Å; P380-Q427 PolarHBondContact O-OE1 2.96Å; Q388-Q427 PolarHBondContact OE1-O 3.13Å; R391-Q427 PolarHBondContact NH2-O 3.16Å; K422-Q427 VanDerWaalsContact CA-NE2 3.3Å; K422-Q427 VanDerWaalsContact CB-NE2 3.35Å; K422-Q427 VanDerWaalsContact O-CG 3.24Å; K422-Q427 WeakPolarHBondContact O-CG 3.42Å; K422-Q427 PolarHBondContact O-NE2 2.63Å; S423-Q427 PolarHBondContact O-N 2.78Å; L424-Q427 PolarHBondContact O-N 3.29Å
428G63.6Low67.9Low5 Ų541.6 Ų41.65%0.05221%0.209CC..  trans67.3159.9179.700000114.8D330 L424D330-G428 WeakPolarHBondContact OD2-CA 3.16Å; L424-G428 PolarHBondContact O-N 3.36Å
429S72.1Confident70.3Confident12 Ų1242.9 Ų42.98%0.08422%0.216CC..  trans-132.37.2170.744.30000112.1G323 I324 D330 F431G323-S429 CarbonylContact C-O 3.51Å; G323-S429 WeakPolarHBondContact CA-O 3.41Å; I324-S429 PolarHBondContact N-O 3.06Å; D330-S429 VanDerWaalsContact OD1-C 3.27Å; D330-S429 WeakPolarHBondContact OD1-CA 3.46Å; D330-S429 PolarHBondContact OD1-N 2.94Å; D330-S429 PolarHBondContact OD1-OG 2.98Å; D330-S429 VanDerWaalsContact OD1-OG 3.05Å; D330-S429 PolarHBondContact OD2-N 3.12Å; S429-F431 VanDerWaalsContact O-CD1 3.29Å; S429-F431 WeakPolarHBondContact O-CD1 3.31Å; S429-F431 PolarHBondContact O-N 2.81Å
430A81.9Confident72.5Confident1 Ų142.2 Ų42.21%0.00821%0.209CC..  trans-77.368.7-179.100000111.7W308 D330 I331 C334W308-A430 HydrophobicContact CZ3-CB 4.46Å; D330-A430 WeakPolarHBondContact OD1-CB 3.45Å; D330-A430 PolarHBondContact OD1-N 3.34Å; D330-A430 WeakPolarHBondContact OD2-CB 3.22Å; D330-A430 PolarHBondContact OD2-N 3.48Å; I331-A430 HydrophobicContact CB-CB 4.12Å; I331-A430 HydrophobicContact CG1-CB 4.35Å; C334-A430 PolarHBondContact SG-O 2.86Å
431F84.1Confident74.7Confident14 Ų1438.1 Ų38.16%0.06119%0.194CC..  trans-139.8151.2173.364-88.9000109.2Q322 G323 I324 M383 S429Q322-F431 HydrophobicContact CB-CZ 4.28Å; Q322-F431 HydrophobicContact CG-CE2 4.34Å; Q322-F431 HydrophobicContact CG-CZ 4.17Å; G323-F431 CarbonylContact C-O 3.49Å; G323-F431 WeakPolarHBondContact CA-O 3.37Å; I324-F431 PolarHBondContact N-O 3.08Å; M383-F431 HydrophobicContact CE-CB 4.3Å; M383-F431 HydrophobicContact CE-CD1 3.93Å; M383-F431 HydrophobicContact CE-CD2 3.39Å; M383-F431 HydrophobicContact CE-CE1 4.07Å; M383-F431 HydrophobicContact CE-CE2 3.58Å; M383-F431 HydrophobicContact CE-CG 3.61Å; M383-F431 HydrophobicContact CE-CZ 3.92Å; M383-F431 HydrophobicContact SD-CE2 4.45Å; S429-F431 VanDerWaalsContact O-CD1 3.29Å; S429-F431 WeakPolarHBondContact O-CD1 3.31Å; S429-F431 PolarHBondContact O-N 2.81Å
432W85Confident76.8Confident7 Ų741.9 Ų41.93%0.02722%0.22CC..  trans-73.7-40.9175.8-73.6105000112.6W308 L317 I324 M325 A436 L437 L440W308-W432 AromaticContact CD1-CZ2 3.47Å; W308-W432 VanDerWaalsContact CD1-CZ2 3.47Å; W308-W432 HydrophobicContact CD2-CZ2 4.14Å; W308-W432 AromaticContact CE2-CE2 3.6Å; W308-W432 AromaticContact CE2-CZ2 3.71Å; W308-W432 AromaticContact CE2-NE1 3.15Å; W308-W432 HydrophobicContact CG-CZ2 4.02Å; W308-W432 AromaticContact CH2-CD1 3.93Å; W308-W432 AromaticContact CH2-NE1 3.8Å; W308-W432 AromaticContact CZ2-CD1 3.49Å; W308-W432 VanDerWaalsContact CZ2-CD1 3.49Å; W308-W432 AromaticContact CZ2-CE2 3.84Å; W308-W432 HydrophobicContact CZ2-CZ2 4.4Å; W308-W432 AromaticContact CZ2-NE1 2.95Å; W308-W432 AromaticContact NE1-CE2 3.56Å; W308-W432 AromaticContact NE1-CZ2 3.27Å; W308-W432 VanDerWaalsContact NE1-CZ2 3.27Å; W308-W432 AromaticContact NE1-NE1 3.35Å; W308-W432 WeakPolarHBondContact O-CH2 3.48Å; L317-W432 HydrophobicContact CD1-CE3 3.46Å; L317-W432 VanDerWaalsContact CD1-CE3 3.46Å; L317-W432 HydrophobicContact CD1-CH2 4.22Å; L317-W432 HydrophobicContact CD1-CZ3 3.24Å; I324-W432 HydrophobicContact CG2-CD2 3.5Å; I324-W432 VanDerWaalsContact CG2-CD2 3.5Å; I324-W432 HydrophobicContact CG2-CE3 3.28Å; I324-W432 HydrophobicContact CG2-CG 4.08Å; I324-W432 HydrophobicContact CG2-CH2 4.04Å; I324-W432 HydrophobicContact CG2-CZ2 4.27Å; I324-W432 HydrophobicContact CG2-CZ3 3.55Å; M325-W432 HydrophobicContact CG-CE3 4.04Å; M325-W432 HydrophobicContact CG-CZ3 3.79Å; M325-W432 HydrophobicContact SD-CE3 4.34Å; M325-W432 HydrophobicContact SD-CH2 4.28Å; M325-W432 HydrophobicContact SD-CZ3 3.5Å; M325-W432 WeakPolarHBondContact SD-CZ3 3.28Å; W432-A436 HydrophobicContact CB-CB 4.4Å; W432-A436 HydrophobicContact CE3-CB 4.48Å; W432-A436 VanDerWaalsContact O-CB 3.3Å; W432-A436 WeakPolarHBondContact O-CB 3.22Å; W432-L437 HydrophobicContact CB-CD1 4.14Å; W432-L437 HydrophobicContact CB-CD2 3.46Å; W432-L437 VanDerWaalsContact CB-CD2 3.46Å; W432-L437 HydrophobicContact CB-CG 3.53Å; W432-L437 HydrophobicContact CG-CD2 3.64Å; W432-L437 HydrophobicContact CG-CG 4.27Å; W432-L440 HydrophobicContact CD2-CD1 4.32Å; W432-L440 HydrophobicContact CE3-CD1 4.36Å
433G82.9Confident79Confident8 Ų835 Ų358%0.08219%0.192CC..  trans85.1143.1-173.300000111.6E143 K435 A436 L437E143-G433 VanDerWaalsContact OE1-CA 3.29Å; E143-G433 WeakPolarHBondContact OE1-CA 3.4Å; E143-G433 PolarHBondContact OE1-N 3.46Å; G433-K435 PolarHBondContact O-N 3.16Å; G433-K435 VanDerWaalsContact O-N 3.1Å; G433-A436 PolarHBondContact O-N 3.02Å; G433-L437 PolarHBondContact O-N 3.21Å
434T84.4Confident81.1Confident73 Ų7337 Ų3745%0.44821%0.205SC..Hα-helixtrans-48.4-43.1-176.7-47.90000112.8E143 L144 A436 L437 S438E143-T434 PolarHBondContact OE2-N 3.02Å; E143-T434 PolarHBondContact OE2-OG1 2.82Å; L144-T434 HydrophobicContact CD2-CG2 3.83Å; T434-A436 PolarHBondContact O-N 3.3Å; T434-L437 PolarHBondContact O-N 2.76Å; T434-S438 WeakPolarHBondContact O-CB 3.43Å; T434-S438 PolarHBondContact O-N 3.15Å; T434-S438 PolarHBondContact O-OG 3.17Å
435K88.2Confident83.4Confident148 Ų14836.3 Ų36.364%0.64320%0.199SC*.Hα-helixtrans-63.9-39.8-179.4-175.8174.1174.4-171.10113.1Y320 G433 K439Y320-K435 HydrophobicContact CE1-CB 4.46Å; Y320-K435 HydrophobicContact CE1-CD 3.73Å; Y320-K435 HydrophobicContact CE1-CG 3.91Å; G433-K435 PolarHBondContact O-N 3.16Å; G433-K435 VanDerWaalsContact O-N 3.1Å; K435-K439 PolarHBondContact O-N 3.4Å
436A91.4Very high85.4Confident2 Ų234.6 Ų34.62%0.01719%0.193CC..Hα-helixtrans-72.8-45.7177.700000110.4L317 Y320 W432 G433 T434 S438 K439 L440L317-A436 HydrophobicContact CD1-CB 4.04Å; L317-A436 HydrophobicContact CD2-CB 4.16Å; Y320-A436 HydrophobicContact CD2-CB 4.48Å; Y320-A436 HydrophobicContact CE2-CB 4.08Å; W432-A436 HydrophobicContact CB-CB 4.4Å; W432-A436 HydrophobicContact CE3-CB 4.48Å; W432-A436 VanDerWaalsContact O-CB 3.3Å; W432-A436 WeakPolarHBondContact O-CB 3.22Å; G433-A436 PolarHBondContact O-N 3.02Å; T434-A436 PolarHBondContact O-N 3.3Å; A436-S438 VanDerWaalsContact C-N 3.32Å; A436-S438 PolarHBondContact O-N 2.95Å; A436-K439 WeakPolarHBondContact O-CB 3.23Å; A436-K439 PolarHBondContact O-N 3.33Å; A436-K439 VanDerWaalsContact O-N 3.07Å; A436-L440 PolarHBondContact O-N 2.97Å
437L91.3Very high87.2Confident0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-61.2-38.9178.3-66.7176.4000112.5F140 E143 L144 W432 G433 T434 K439 L440 L441F140-L437 HydrophobicContact CD1-CB 4.44Å; F140-L437 HydrophobicContact CD1-CD2 4.22Å; F140-L437 HydrophobicContact CD2-CD2 3.71Å; F140-L437 HydrophobicContact CE1-CB 4.07Å; F140-L437 HydrophobicContact CE1-CD2 4.03Å; F140-L437 HydrophobicContact CE2-CD2 3.51Å; F140-L437 HydrophobicContact CG-CD2 4.05Å; F140-L437 HydrophobicContact CZ-CB 4.34Å; F140-L437 HydrophobicContact CZ-CD2 3.67Å; E143-L437 HydrophobicContact CB-CD1 3.39Å; E143-L437 HydrophobicContact CG-CD1 3.69Å; L144-L437 HydrophobicContact CD1-CB 3.71Å; L144-L437 HydrophobicContact CG-CB 4.22Å; L144-L437 HydrophobicContact CG-CD1 4.46Å; W432-L437 HydrophobicContact CB-CD1 4.14Å; W432-L437 HydrophobicContact CB-CD2 3.46Å; W432-L437 VanDerWaalsContact CB-CD2 3.46Å; W432-L437 HydrophobicContact CB-CG 3.53Å; W432-L437 HydrophobicContact CG-CD2 3.64Å; W432-L437 HydrophobicContact CG-CG 4.27Å; G433-L437 PolarHBondContact O-N 3.21Å; T434-L437 PolarHBondContact O-N 2.76Å; L437-K439 VanDerWaalsContact C-N 3.3Å; L437-K439 PolarHBondContact O-N 2.81Å; L437-L440 HydrophobicContact CD2-CD1 4.3Å; L437-L440 CarbonylContact O-C 3.56Å; L437-L440 WeakPolarHBondContact O-CA 3.46Å; L437-L440 WeakPolarHBondContact O-CB 3.36Å; L437-L440 PolarHBondContact O-N 3.16Å; L437-L440 VanDerWaalsContact O-N 3.07Å; L437-L441 PolarHBondContact O-N 2.95Å
438S92.8Very high88.9Confident60 Ų6038.4 Ų38.442%0.4221%0.211SC..Hα-helixtrans-61.9-35.2174.7-66.10000112.9T434 A436 L441T434-S438 WeakPolarHBondContact O-CB 3.43Å; T434-S438 PolarHBondContact O-N 3.15Å; T434-S438 PolarHBondContact O-OG 3.17Å; A436-S438 VanDerWaalsContact C-N 3.32Å; A436-S438 PolarHBondContact O-N 2.95Å; S438-L441 WeakPolarHBondContact O-CB 3.19Å
439K95.1Very high89.9Confident89 Ų8939.3 Ų39.339%0.38722%0.216SC..Hα-helixtrans-69-39.3171.2-74-173.3176.4179.50111.4L317 Y320 K435 A436 L437 L441 S442L317-K439 HydrophobicContact CD2-CB 3.94Å; L317-K439 HydrophobicContact CD2-CD 4.09Å; Y320-K439 WeakPolarHBondContact OH-CD 3.23Å; Y320-K439 VanDerWaalsContact OH-CE 3.25Å; Y320-K439 WeakPolarHBondContact OH-CE 3.44Å; Y320-K439 PolarHBondContact OH-NZ 3.41Å; Y320-K439 VanDerWaalsContact OH-NZ 3.15Å; K435-K439 PolarHBondContact O-N 3.4Å; A436-K439 WeakPolarHBondContact O-CB 3.23Å; A436-K439 PolarHBondContact O-N 3.33Å; A436-K439 VanDerWaalsContact O-N 3.07Å; L437-K439 VanDerWaalsContact C-N 3.3Å; L437-K439 PolarHBondContact O-N 2.81Å; K439-L441 PolarHBondContact O-N 3.41Å; K439-S442 PolarHBondContact O-N 3.22Å; K439-S442 PolarHBondContact O-OG 2.91Å
440L96.2Very high90Very high1 Ų140.8 Ų40.81%0.00523%0.225CC..Hα-helixtrans-66.6-20.5178.7-71.3-174000113.3F140 F315 L317 W432 A436 L437 S442 C443 I446F140-L440 HydrophobicContact CE2-CB 4.4Å; F140-L440 HydrophobicContact CE2-CD1 4.34Å; F140-L440 HydrophobicContact CZ-CB 3.67Å; F140-L440 HydrophobicContact CZ-CD1 4.35Å; F315-L440 HydrophobicContact CB-CD2 3.49Å; F315-L440 VanDerWaalsContact CB-CD2 3.49Å; F315-L440 HydrophobicContact CD2-CD2 4.34Å; F315-L440 HydrophobicContact CG-CD2 4.3Å; L317-L440 HydrophobicContact CD1-CD1 3.86Å; L317-L440 HydrophobicContact CD1-CD2 3.84Å; L317-L440 HydrophobicContact CD1-CG 3.83Å; L317-L440 HydrophobicContact CD2-CD2 4.13Å; L317-L440 HydrophobicContact CD2-CG 4.18Å; L317-L440 HydrophobicContact CG-CD2 3.83Å; L317-L440 HydrophobicContact CG-CG 4.19Å; W432-L440 HydrophobicContact CD2-CD1 4.32Å; W432-L440 HydrophobicContact CE3-CD1 4.36Å; A436-L440 PolarHBondContact O-N 2.97Å; L437-L440 HydrophobicContact CD2-CD1 4.3Å; L437-L440 CarbonylContact O-C 3.56Å; L437-L440 WeakPolarHBondContact O-CA 3.46Å; L437-L440 WeakPolarHBondContact O-CB 3.36Å; L437-L440 PolarHBondContact O-N 3.16Å; L437-L440 VanDerWaalsContact O-N 3.07Å; L440-S442 PolarHBondContact O-N 3.34Å; L440-C443 HydrophobicContact CD2-CB 4.27Å; L440-C443 VanDerWaalsContact O-CB 3.24Å; L440-C443 WeakPolarHBondContact O-CB 3.39Å; L440-C443 PolarHBondContact O-N 3.19Å; L440-I446 HydrophobicContact CB-CG1 4.21Å; L440-I446 HydrophobicContact CD2-CG1 4.39Å; L440-I446 WeakPolarHBondContact O-CB 3.45Å
441L95Very high89.3Confident64 Ų6444.8 Ų44.834%0.33526%0.259SS..THydrogen-bonded Turntrans-58.3-28.6173.5-69.3175.9000113.4F140 L144 I146 R148 L437 S438 K439F140-L441 HydrophobicContact CD1-CD2 4.33Å; F140-L441 HydrophobicContact CE1-CD2 3.75Å; F140-L441 HydrophobicContact CE1-CG 4.32Å; L144-L441 HydrophobicContact CD1-CD1 4.16Å; L144-L441 HydrophobicContact CD1-CD2 4.23Å; L144-L441 HydrophobicContact CD1-CG 4.26Å; I146-L441 HydrophobicContact CD1-CD2 3.91Å; R148-L441 PolarHBondContact NH1-O 3.36Å; L437-L441 PolarHBondContact O-N 2.95Å; S438-L441 WeakPolarHBondContact O-CB 3.19Å; K439-L441 PolarHBondContact O-N 3.41Å
442S94.2Very high88.2Confident103 Ų10347.1 Ų47.172%0.7227%0.272SS*.THydrogen-bonded Turntrans-93.20.3175.861.30000113.4K439 L440 P444K439-S442 PolarHBondContact O-N 3.22Å; K439-S442 PolarHBondContact O-OG 2.91Å; L440-S442 PolarHBondContact O-N 3.34Å; S442-P444 WeakPolarHBondContact O-CD 3.38Å
443C96.2Very high86.5Confident13 Ų1352.4 Ų52.49%0.08830%0.3CS..  trans-79.3121.8179.7-173.30000110.1L440 W445 I446L440-C443 HydrophobicContact CD2-CB 4.27Å; L440-C443 VanDerWaalsContact O-CB 3.24Å; L440-C443 WeakPolarHBondContact O-CB 3.39Å; L440-C443 PolarHBondContact O-N 3.19Å; C443-W445 PolarHBondContact O-N 2.87Å; C443-W445 VanDerWaalsContact O-N 3.11Å; C443-I446 HydrophobicContact CB-CB 4.26Å; C443-I446 HydrophobicContact CB-CG1 3.91Å; C443-I446 PolarHBondContact O-N 2.95Å
444P95.5Very high84.7Confident61 Ų6161.3 Ų61.340%0.39634%0.337SS..THydrogen-bonded Turntrans-62-22.7-176.9-23.933.5000114.9Y92 S442 I446Y92-P444 HydrophobicContact CD1-CB 3.96Å; Y92-P444 HydrophobicContact CD2-CB 3.71Å; Y92-P444 WeakPolarHBondContact CD2-O 3.4Å; Y92-P444 HydrophobicContact CE1-CB 3.75Å; Y92-P444 HydrophobicContact CE2-CB 3.49Å; Y92-P444 VanDerWaalsContact CE2-CB 3.49Å; Y92-P444 HydrophobicContact CG-CB 3.93Å; S442-P444 WeakPolarHBondContact O-CD 3.38Å; P444-I446 VanDerWaalsContact C-N 3.32Å
445W96Very high82.6Confident24 Ų2466.5 Ų66.59%0.09136%0.356CS..THydrogen-bonded Turntrans-80.6-11.1175.5-74.3-94000113.6Y92 I93 F150 E210 N211 K213 F315 C443Y92-W445 AromaticContact CD1-CD2 3.96Å; Y92-W445 HydrophobicContact CD1-CD2 3.96Å; Y92-W445 AromaticContact CD1-CE2 3.66Å; Y92-W445 HydrophobicContact CD1-CE3 4.24Å; Y92-W445 HydrophobicContact CD1-CH2 4.01Å; Y92-W445 AromaticContact CD1-CZ2 3.74Å; Y92-W445 HydrophobicContact CD1-CZ2 3.74Å; Y92-W445 HydrophobicContact CD1-CZ3 4.24Å; Y92-W445 HydrophobicContact CE1-CH2 4.18Å; Y92-W445 HydrophobicContact CE1-CZ2 4.31Å; Y92-W445 HydrophobicContact CE1-CZ3 4.4Å; Y92-W445 HydrophobicContact CG-CD2 4.38Å; I93-W445 PolarHBondContact O-NE1 3.09Å; F150-W445 WeakPolarHBondContact CA-O 3.49Å; F150-W445 WeakPolarHBondContact CB-O 3.15Å; E210-W445 VanDerWaalsContact O-CH2 3.28Å; E210-W445 WeakPolarHBondContact O-CH2 3.06Å; E210-W445 WeakPolarHBondContact O-CZ2 3.24Å; N211-W445 PolarHBondContact O-NE1 3.45Å; K213-W445 HydrophobicContact CD-CD2 4.29Å; K213-W445 HydrophobicContact CD-CH2 4.45Å; K213-W445 HydrophobicContact CD-CZ2 4.01Å; K213-W445 VanDerWaalsContact CE-CH2 3.5Å; K213-W445 HydrophobicContact CG-CD2 3.9Å; K213-W445 HydrophobicContact CG-CG 3.92Å; K213-W445 HydrophobicContact CG-CZ2 4.25Å; F315-W445 HydrophobicContact CD1-CB 3.94Å; F315-W445 HydrophobicContact CE1-CB 3.55Å; F315-W445 HydrophobicContact CE1-CG 4.14Å; F315-W445 HydrophobicContact CZ-CB 4.44Å; C443-W445 PolarHBondContact O-N 2.87Å; C443-W445 VanDerWaalsContact O-N 3.11Å
446I96.5Very high80.5Confident7 Ų764 Ų644%0.03635%0.35CS..SBendtrans-100.1100.3178.9-61.2-62.7000108.5T136 F140 R148 F315 L440 C443 P444T136-I446 HydrophobicContact CG2-CD1 4.36Å; F140-I446 HydrophobicContact CE1-CG2 4.38Å; F140-I446 HydrophobicContact CE2-CG2 3.67Å; F140-I446 HydrophobicContact CZ-CG2 3.55Å; R148-I446 HydrophobicContact CB-CG2 3.62Å; F315-I446 HydrophobicContact CD2-CD1 3.98Å; F315-I446 HydrophobicContact CE2-CD1 3.73Å; F315-I446 HydrophobicContact CZ-CD1 4.12Å; L440-I446 HydrophobicContact CB-CG1 4.21Å; L440-I446 HydrophobicContact CD2-CG1 4.39Å; L440-I446 WeakPolarHBondContact O-CB 3.45Å; C443-I446 HydrophobicContact CB-CB 4.26Å; C443-I446 HydrophobicContact CB-CG1 3.91Å; C443-I446 PolarHBondContact O-N 2.95Å; P444-I446 VanDerWaalsContact C-N 3.32Å
447I94.2Very high78.1Confident16 Ų1672.3 Ų72.38%0.08239%0.385CS..EExtended strand (participates in β ladder)trans-104.5131.4-162-63158.9000109.2N14 N87 S90 R148 T149 I151N14-I447 PolarHBondContact ND2-O 2.93Å; N14-I447 VanDerWaalsContact ND2-O 3.17Å; N87-I447 WeakPolarHBondContact ND2-CG2 3.24Å; S90-I447 WeakPolarHBondContact OG-CD1 3.44Å; R148-I447 WeakPolarHBondContact CA-O 3.49Å; T149-I447 PolarHBondContact N-O 2.77Å; T149-I447 VanDerWaalsContact N-O 3.14Å; T149-I447 PolarHBondContact O-N 2.87Å; I151-I447 HydrophobicContact CB-CD1 4.11Å; I151-I447 HydrophobicContact CD1-CB 4.49Å; I151-I447 HydrophobicContact CD1-CD1 3.38Å; I151-I447 HydrophobicContact CD1-CG1 4.48Å; I151-I447 HydrophobicContact CD1-CG2 4.25Å; I151-I447 HydrophobicContact CG1-CD1 3.57Å
448E90.8Very high75.8Confident98 Ų9874.6 Ų74.646%0.45840%0.397SS..EExtended strand (participates in β ladder)trans-68.2145.8175.5-174.6153.4-119.900111.2N14 R148 P450N14-E448 VanDerWaalsContact ND2-C 3.35Å; N14-E448 PolarHBondContact ND2-O 3.03Å; R148-E448 HydrophobicContact CG-CB 4.39Å; R148-E448 IonicContact CZ-OE1 3.27Å; R148-E448 IonicContact CZ-OE2 2.77Å; R148-E448 IonicContact NE-OE1 2.79Å; R148-E448 PolarHBondContact NE-OE1 3.49Å; R148-E448 IonicContact NH2-OE1 3.52Å; R148-E448 PolarHBondContact NH2-OE1 2.98Å; R148-E448 IonicContact NH2-OE2 3.32Å; R148-E448 PolarHBondContact NH2-OE2 3.21Å; E448-P450 WeakPolarHBondContact O-CD 3.27Å
449T83.8Confident73.1Confident24 Ų2476 Ų7615%0.14741%0.405CS..PPolyproline II helixtrans-67.2120.5169-59.30000107.8T12 N14 R147T12-T449 HydrophobicContact CG2-CG2 3.9Å; N14-T449 HydrophobicContact CB-CG2 4.29Å; N14-T449 PolarHBondContact ND2-N 3.03Å; N14-T449 PolarHBondContact OD1-OG1 2.79Å; R147-T449 PolarHBondContact O-OG1 2.65Å
450P74.2Confident70.2Confident43 Ų4378 Ų7828%0.27942%0.424SS..PPolyproline II helixtrans-60.8144.8178.225-31000109.8V85 E448V85-P450 HydrophobicContact CB-CG 4.15Å; V85-P450 HydrophobicContact CG1-CG 3.71Å; E448-P450 WeakPolarHBondContact O-CD 3.27Å
451A67.9Low67.2Low86 Ų8685.9 Ų85.971%0.71146%0.461SS*.PPolyproline II helixtrans-63.2141.5166.900000108.4D453A451-D453 PolarHBondContact O-N 2.92Å
452L60.6Low64.2Low63 Ų6395.9 Ų95.933%0.3350%0.502SS..  trans-54.2113167.8-90.9155.9000108T12 D456 L458T12-L452 HydrophobicContact CG2-CG 4.3Å; T12-L452 WeakPolarHBondContact OG1-CD1 3.5Å; T12-L452 WeakPolarHBondContact OG1-CG 3.26Å; L452-D456 HydrophobicContact CD2-CB 4.19Å; L452-L458 HydrophobicContact CD1-CD1 4.43Å
453D49.6Very low62.7Low118 Ų11895.6 Ų95.663%0.63149%0.491SS*.  trans-60141.4171.2-88.5-33.2000108.4A451 E455 D456A451-D453 PolarHBondContact O-N 2.92Å; D453-E455 PolarHBondContact O-N 2.92Å; D453-D456 PolarHBondContact O-N 3.2Å
454K44.3Very low60.9Low194 Ų19499.9 Ų99.984%0.84351%0.512SS*.THydrogen-bonded Turntrans-58.1-13.5175.7-74.6-177.2177.2176.90112.9K457K454-K457 WeakPolarHBondContact O-CG 3.32Å
455E40.9Very low59Low183 Ų183102.1 Ų102.186%0.85552%0.519SS*.THydrogen-bonded Turntrans-87.5-25.4177.3-65-168.8166.600113.3D453 K457D453-E455 PolarHBondContact O-N 2.92Å; E455-K457 PolarHBondContact O-N 2.94Å
456D45.2Very low56.8Low96 Ų96106.6 Ų106.651%0.51354%0.544SS..SBendtrans-78.557.8167.1-78.4-20.8000109.4L452 D453 L458L452-D456 HydrophobicContact CD2-CB 4.19Å; D453-D456 PolarHBondContact O-N 3.2Å; D456-L458 PolarHBondContact O-N 2.78Å
457K39Very low54.3Low176 Ų176112.9 Ų112.977%0.76558%0.576SS**  trans-63.3101.2171.4-69.9-174.2-179.7174.60108K454 E455K454-K457 WeakPolarHBondContact O-CG 3.32Å; E455-K457 PolarHBondContact O-N 2.94Å
458L44.2Very low51.7Low48 Ų48119.3 Ų119.325%0.25161%0.609SS.*  trans-44.2124.5162.6-72160.6000108.4L10 C66 L452 D456 V460L10-L458 HydrophobicContact CD2-CD1 3.67Å; C66-L458 HydrophobicContact CB-CD2 3.5Å; C66-L458 VanDerWaalsContact CB-CD2 3.5Å; L452-L458 HydrophobicContact CD1-CD1 4.43Å; D456-L458 PolarHBondContact O-N 2.78Å; L458-V460 PolarHBondContact O-N 2.91Å
459P36.8Very low48.9Very low90 Ų90120.9 Ų120.958%0.58462%0.619SS**  trans-58.5112.4175.721.3-28.8000107.8Q461P459-Q461 VanDerWaalsContact C-N 3.32Å; P459-Q461 PolarHBondContact O-N 3.03Å
460V34Very low46.2Very low130 Ų130128.3 Ų128.379%0.78866%0.656SS**  trans-6798.2169.3-1790000105.4L458 K462L458-V460 PolarHBondContact O-N 2.91Å; V460-K462 PolarHBondContact O-N 3.49Å
461Q33.1Very low43.8Very low167 Ų167135.4 Ų135.478%0.7869%0.687SS**  trans-60.3123166.5-78.6-175.4-6.400107.5P459P459-Q461 VanDerWaalsContact C-N 3.32Å; P459-Q461 PolarHBondContact O-N 3.03Å
462K30.6Very low41.6Very low274 Ų274139.9 Ų139.9100%1.19169%0.685SS**  trans-79.60174.6-88.4-174175.2-179.90111V460V460-K462 PolarHBondContact O-N 3.49Å

Retrieved 462 of 462 residues in 1755 ms (Link to these results)

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