A0A077ZF71_TRITR Loading...

Ppx-GppA domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF71, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 421 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
1M36.7Very low76.7Confident241 Ų24163.5 Ų63.5100%1.18740%0.395SS*.  0108.70-70174.1-175.600106.2S3M1-S3 PolarHBondContact O-N 3.1Å
2G44.6Very low78.4Confident71 Ų7159.3 Ų59.373%0.73237%0.368SS*.  trans-56.4131.4177.700000108.7T4G2-T4 PolarHBondContact O-N 2.82Å
3S49.2Very low79.9Confident118 Ų11854.8 Ų54.883%0.82534%0.34SS*.  trans-51.8106.8171.61650000107.3M1 S5M1-S3 PolarHBondContact O-N 3.1Å; S3-S5 PolarHBondContact O-N 2.67Å
4T63.5Low81Confident126 Ų12651.4 Ų51.477%0.77332%0.322SS*.  trans-62.8107.5167.7440000105.1G2 S6G2-T4 PolarHBondContact O-N 2.82Å; T4-S6 PolarHBondContact O-N 2.65Å
5S77.5Confident81.9Confident24 Ų2448.3 Ų48.317%0.16830%0.302CS..  trans-54.6130.7177.9-178.90000108.1S3 L7 Q78S3-S5 PolarHBondContact O-N 2.67Å; S5-L7 PolarHBondContact O-N 3.35Å; S5-L7 WeakPolarHBondContact OG-CB 3.45Å; S5-L7 PolarHBondContact OG-N 3.36Å; S5-Q78 PolarHBondContact O-NE2 2.84Å
6S87.6Confident82.4Confident51 Ų5147.4 Ų47.436%0.35730%0.295SS..  trans-75.83.2173.354.30000112.4T4 R24 E25T4-S6 PolarHBondContact O-N 2.65Å; S6-R24 CarbonylContact O-C 3.58Å; S6-R24 VanDerWaalsContact O-CA 3.28Å; S6-R24 WeakPolarHBondContact O-CA 3.37Å; S6-R24 WeakPolarHBondContact OG-CG 3.4Å; S6-E25 PolarHBondContact O-N 3Å
7L94.8Very high83.1Confident31 Ų3144.9 Ų44.916%0.16228%0.28CS..EExtended strand (participates in β ladder)trans-93.1137.6-172.5-58.1-179000112.1S5 V23 R24 L33 I74 Q78S5-L7 PolarHBondContact O-N 3.35Å; S5-L7 WeakPolarHBondContact OG-CB 3.45Å; S5-L7 PolarHBondContact OG-N 3.36Å; L7-V23 WeakPolarHBondContact CA-O 3.47Å; L7-R24 HydrophobicContact CD2-CB 4.07Å; L7-R24 HydrophobicContact CD2-CG 4.34Å; L7-L33 HydrophobicContact CD2-CD1 3.4Å; L7-L33 VanDerWaalsContact CD2-CD1 3.4Å; L7-I74 HydrophobicContact CB-CD1 4.39Å; L7-I74 HydrophobicContact CB-CG1 4Å; L7-I74 HydrophobicContact CD1-CG1 4.28Å; L7-Q78 PolarHBondContact O-NE2 3.32Å
8Y95.7Very high83.9Confident37 Ų3742.4 Ų42.415%0.14526%0.264CS..EExtended strand (participates in β ladder)trans-132.8146.9175.8-65.4-101.4000109.5V22 V23 E25 Q78 M299 L300Y8-V22 WeakPolarHBondContact O-CA 3.37Å; Y8-V23 PolarHBondContact N-O 3.26Å; Y8-V23 PolarHBondContact O-N 3.38Å; Y8-E25 HydrophobicContact CE2-CB 4.37Å; Y8-Q78 WeakPolarHBondContact CA-O 3.48Å; Y8-Q78 HydrophobicContact CD1-CB 3.76Å; Y8-Q78 HydrophobicContact CD1-CG 3.97Å; Y8-Q78 HydrophobicContact CE1-CB 4.03Å; Y8-Q78 HydrophobicContact CE1-CG 3.68Å; Y8-Q78 HydrophobicContact CG-CB 4.35Å; Y8-M299 HydrophobicContact CD1-CB 3.88Å; Y8-M299 HydrophobicContact CD1-CE 4.16Å; Y8-M299 HydrophobicContact CD1-SD 3.97Å; Y8-M299 HydrophobicContact CE1-CB 4.11Å; Y8-L300 HydrophobicContact CD1-CD2 4.28Å; Y8-L300 HydrophobicContact CD2-CD2 3.73Å; Y8-L300 HydrophobicContact CE1-CD2 3.97Å; Y8-L300 HydrophobicContact CE2-CD2 3.41Å; Y8-L300 VanDerWaalsContact CE2-CD2 3.41Å; Y8-L300 HydrophobicContact CG-CD2 4.17Å
9A97.4Very high84.6Confident0 Ų041.8 Ų41.80%026%0.257CS..EExtended strand (participates in β ladder)trans-126.8133.517600000111.4L21 V22 L71 I74 Q78 I79 R80A9-L21 CarbonylContact C-O 3.59Å; A9-L21 WeakPolarHBondContact CA-O 3.33Å; A9-V22 HydrophobicContact CB-CG2 4.37Å; A9-L71 HydrophobicContact CB-CD2 3.48Å; A9-L71 VanDerWaalsContact CB-CD2 3.48Å; A9-I74 HydrophobicContact CB-CD1 3.85Å; A9-Q78 PolarHBondContact N-O 3.13Å; A9-I79 HydrophobicContact CB-CG1 4.19Å; A9-I79 HydrophobicContact CB-CG2 4.37Å; A9-I79 WeakPolarHBondContact O-CA 3.37Å; A9-R80 PolarHBondContact O-N 2.91Å
10A98Very high85.2Confident0 Ų039.8 Ų39.80%025%0.245CC..EExtended strand (participates in β ladder)trans-118.9128168.700000109.3M20 L21 R80 R292 L295 V296A10-M20 CarbonylContact O-C 3.54Å; A10-M20 WeakPolarHBondContact O-CA 3.34Å; A10-L21 PolarHBondContact N-O 2.93Å; A10-L21 PolarHBondContact O-N 3.33Å; A10-R80 CarbonylContact C-O 3.54Å; A10-R80 WeakPolarHBondContact CA-O 3.15Å; A10-R292 HydrophobicContact CB-CB 4.38Å; A10-L295 HydrophobicContact CB-CB 3.75Å; A10-L295 HydrophobicContact CB-CD1 4.03Å; A10-V296 HydrophobicContact CB-CG2 3.78Å
11I98.4Very high85.8Confident0 Ų037.9 Ų37.90%023%0.233CC..EExtended strand (participates in β ladder)trans-121.4125.8178-63.3173.9000108.8L13 H19 M20 F67 L71 R80 V81 V82 L104I11-L13 HydrophobicContact CG2-CD2 3.56Å; I11-L13 HydrophobicContact CG2-CG 4.45Å; I11-H19 VanDerWaalsContact CA-O 3.29Å; I11-H19 WeakPolarHBondContact CA-O 3.46Å; I11-M20 HydrophobicContact CD1-CG 4.24Å; I11-M20 HydrophobicContact CD1-SD 4.06Å; I11-M20 HydrophobicContact CG1-CB 3.99Å; I11-M20 HydrophobicContact CG1-CG 3.74Å; I11-M20 HydrophobicContact CG1-SD 4.23Å; I11-F67 HydrophobicContact CD1-CB 4.29Å; I11-F67 HydrophobicContact CD1-CD2 4.1Å; I11-F67 HydrophobicContact CG1-CD2 4.33Å; I11-F67 HydrophobicContact CG2-CD2 3.92Å; I11-F67 HydrophobicContact CG2-CE2 4.07Å; I11-L71 HydrophobicContact CD1-CD1 3.79Å; I11-L71 HydrophobicContact CD1-CD2 4.29Å; I11-L71 HydrophobicContact CD1-CG 4.49Å; I11-R80 PolarHBondContact N-O 3.38Å; I11-V81 HydrophobicContact CB-CB 4.37Å; I11-V81 HydrophobicContact CB-CG1 4.01Å; I11-V81 HydrophobicContact CB-CG2 4.13Å; I11-V81 HydrophobicContact CD1-CG2 4.19Å; I11-V81 HydrophobicContact CG2-CG1 3.92Å; I11-V81 WeakPolarHBondContact O-CA 3.44Å; I11-V82 PolarHBondContact O-N 2.92Å; I11-L104 HydrophobicContact CD1-CD2 4.35Å
12D97.6Very high88.7Confident12 Ų1226.9 Ų26.96%0.06418%0.18CC..EExtended strand (participates in β ladder)trans-107.7121.5171.266.2-60.7000110.4G14 F18 H19 V82 L291 R292D12-G14 PolarHBondContact O-N 3.32Å; D12-F18 VanDerWaalsContact O-CA 3.3Å; D12-F18 WeakPolarHBondContact O-CA 3.47Å; D12-H19 PolarHBondContact N-O 3.11Å; D12-H19 PolarHBondContact O-N 3.16Å; D12-H19 VanDerWaalsContact O-N 3.08Å; D12-H19 WeakPolarHBondContact OD1-CA 3.39Å; D12-H19 WeakPolarHBondContact OD1-CB 3.34Å; D12-H19 IonicContact OD1-CG 3.74Å; D12-H19 PolarHBondContact OD1-N 3.39Å; D12-H19 IonicContact OD1-ND1 3.56Å; D12-H19 PolarHBondContact OD1-ND1 3.34Å; D12-H19 VanDerWaalsContact OD1-O 3.14Å; D12-H19 IonicContact OD2-CE1 2.81Å; D12-H19 IonicContact OD2-CG 2.91Å; D12-H19 IonicContact OD2-ND1 2.81Å; D12-H19 PolarHBondContact OD2-ND1 3.09Å; D12-V82 HydrophobicContact CB-CG2 4.48Å; D12-L291 HydrophobicContact CB-CD2 3.84Å; D12-R292 HydrophobicContact CB-CG 4.42Å; D12-R292 VanDerWaalsContact CG-NH1 3.33Å; D12-R292 VanDerWaalsContact OD1-CD 3.29Å; D12-R292 WeakPolarHBondContact OD1-CD 3.31Å; D12-R292 WeakPolarHBondContact OD1-CG 3.36Å; D12-R292 IonicContact OD1-CZ 3.57Å; D12-R292 IonicContact OD1-NE 3.61Å; D12-R292 IonicContact OD1-NH1 3.52Å; D12-R292 PolarHBondContact OD1-NH1 3.47Å; D12-R292 IonicContact OD2-NH1 3.18Å; D12-R292 PolarHBondContact OD2-NH1 3.33Å; D12-R292 VanDerWaalsContact OD2-NH1 3.17Å
13L98Very high91.1Very high1 Ų123.5 Ų23.51%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-93.975.9175-47.3-174.2000109I11 F18 L64 V81 V82 A83 T84 L87 F96 V108I11-L13 HydrophobicContact CG2-CD2 3.56Å; I11-L13 HydrophobicContact CG2-CG 4.45Å; L13-F18 HydrophobicContact CB-CD1 4.07Å; L13-F18 HydrophobicContact CB-CE1 3.78Å; L13-F18 HydrophobicContact CB-CE2 4.5Å; L13-F18 HydrophobicContact CB-CZ 4.01Å; L13-F18 HydrophobicContact CD2-CB 4.44Å; L13-F18 HydrophobicContact CD2-CD1 4.23Å; L13-F18 HydrophobicContact CD2-CD2 3.64Å; L13-F18 HydrophobicContact CD2-CE1 4.39Å; L13-F18 HydrophobicContact CD2-CE2 3.83Å; L13-F18 HydrophobicContact CD2-CG 3.86Å; L13-F18 HydrophobicContact CD2-CZ 4.21Å; L13-L64 HydrophobicContact CD2-CD2 3.61Å; L13-V81 HydrophobicContact CD1-CG1 4.02Å; L13-V81 HydrophobicContact CD2-CG1 4.31Å; L13-V81 HydrophobicContact CG-CG1 4.05Å; L13-V82 PolarHBondContact N-O 2.95Å; L13-A83 HydrophobicContact CB-CB 4.24Å; L13-A83 HydrophobicContact CD1-CB 4.43Å; L13-T84 PolarHBondContact O-N 2.8Å; L13-L87 HydrophobicContact CB-CD1 4.29Å; L13-L87 HydrophobicContact CD1-CD1 4.45Å; L13-F96 HydrophobicContact CD1-CE1 4.26Å; L13-V108 HydrophobicContact CD1-CG1 3.71Å
14G95.3Very high93.1Very high8 Ų822.8 Ų22.88%0.08212%0.124CC..  trans-81.4162.9-176.100000114.6D12 N16 S17D12-G14 PolarHBondContact O-N 3.32Å; G14-N16 VanDerWaalsContact C-N 3.34Å; G14-N16 PolarHBondContact O-N 2.81Å; G14-S17 WeakPolarHBondContact CA-O 3.32Å; G14-S17 PolarHBondContact N-O 2.95Å
15S93.4Very high94.3Very high5 Ų520.1 Ų20.14%0.03510%0.103CC..SBendtrans-56.6-41.5-178.8-48.80000114.1L42 A43 T86 A142S15-L42 PolarHBondContact O-N 3.33Å; S15-A43 PolarHBondContact O-N 3.19Å; S15-T86 VanDerWaalsContact CA-OG1 3.26Å; S15-T86 WeakPolarHBondContact CA-OG1 3.42Å; S15-T86 WeakPolarHBondContact CB-OG1 3.4Å; S15-T86 PolarHBondContact OG-OG1 2.94Å; S15-A142 WeakPolarHBondContact OG-CB 3.22Å
16N91.2Very high94.5Very high34 Ų3421.9 Ų21.918%0.18211%0.112CC..SBendtrans-100.9-38.6-177.3-173.325000112.6G14 V40 R41 V165G14-N16 VanDerWaalsContact C-N 3.34Å; G14-N16 PolarHBondContact O-N 2.81Å; N16-V40 PolarHBondContact O-N 3.37Å; N16-V40 VanDerWaalsContact O-N 3.17Å; N16-R41 PolarHBondContact O-N 3.28Å; N16-V165 HydrophobicContact CB-CG2 3.95Å
17S93.2Very high93.8Very high5 Ų523 Ų234%0.03512%0.124CC..EExtended strand (participates in β ladder)trans-143.8146.1-172.9-62.10000110G14 R38G14-S17 WeakPolarHBondContact CA-O 3.32Å; G14-S17 PolarHBondContact N-O 2.95Å; S17-R38 CarbonylContact C-O 3.52Å; S17-R38 WeakPolarHBondContact CA-O 3.22Å; S17-R38 WeakPolarHBondContact CB-O 3.27Å
18F97.6Very high92.6Very high0 Ų023.2 Ų23.20%014%0.135CC..EExtended strand (participates in β ladder)trans-95.1142.9165.3-66.5-0.1000108.2D12 L13 R38 V40 L42 C63 L64 F67 F96D12-F18 VanDerWaalsContact O-CA 3.3Å; D12-F18 WeakPolarHBondContact O-CA 3.47Å; L13-F18 HydrophobicContact CB-CD1 4.07Å; L13-F18 HydrophobicContact CB-CE1 3.78Å; L13-F18 HydrophobicContact CB-CE2 4.5Å; L13-F18 HydrophobicContact CB-CZ 4.01Å; L13-F18 HydrophobicContact CD2-CB 4.44Å; L13-F18 HydrophobicContact CD2-CD1 4.23Å; L13-F18 HydrophobicContact CD2-CD2 3.64Å; L13-F18 HydrophobicContact CD2-CE1 4.39Å; L13-F18 HydrophobicContact CD2-CE2 3.83Å; L13-F18 HydrophobicContact CD2-CG 3.86Å; L13-F18 HydrophobicContact CD2-CZ 4.21Å; F18-R38 PolarHBondContact N-O 3.15Å; F18-R38 PolarHBondContact O-N 3Å; F18-V40 HydrophobicContact CB-CG2 4.08Å; F18-V40 HydrophobicContact CD1-CB 4.2Å; F18-V40 HydrophobicContact CD1-CG2 3.94Å; F18-V40 HydrophobicContact CD2-CG2 3.71Å; F18-V40 HydrophobicContact CE1-CB 4.24Å; F18-V40 HydrophobicContact CE1-CG1 4.23Å; F18-V40 HydrophobicContact CE1-CG2 4.3Å; F18-V40 HydrophobicContact CE2-CG1 4.37Å; F18-V40 HydrophobicContact CE2-CG2 4.09Å; F18-V40 HydrophobicContact CG-CB 4.39Å; F18-V40 HydrophobicContact CG-CG2 3.63Å; F18-V40 HydrophobicContact CZ-CB 4.47Å; F18-V40 HydrophobicContact CZ-CG1 4.08Å; F18-V40 HydrophobicContact CZ-CG2 4.36Å; F18-L42 HydrophobicContact CE1-CB 4.48Å; F18-L42 HydrophobicContact CE1-CD2 4.1Å; F18-L42 HydrophobicContact CZ-CD2 4.12Å; F18-C63 HydrophobicContact CD2-CB 4.12Å; F18-L64 HydrophobicContact CD2-CD2 3.96Å; F18-L64 HydrophobicContact CD2-CG 4.41Å; F18-L64 HydrophobicContact CE2-CD2 4.13Å; F18-L64 HydrophobicContact CE2-CG 4.21Å; F18-F67 HydrophobicContact CB-CE2 3.9Å; F18-F67 HydrophobicContact CB-CZ 4.15Å; F18-F96 AromaticContact CE2-CZ 3.95Å; F18-F96 HydrophobicContact CE2-CZ 3.95Å; F18-F96 HydrophobicContact CZ-CE1 4.28Å; F18-F96 AromaticContact CZ-CZ 3.72Å; F18-F96 HydrophobicContact CZ-CZ 3.72Å
19H97.5Very high91.7Very high30 Ų3023 Ų2314%0.13914%0.139CC..EExtended strand (participates in β ladder)trans-134.5157.8172.6-30.962.4000111.3I11 D12 I36 K37 R292I11-H19 VanDerWaalsContact CA-O 3.29Å; I11-H19 WeakPolarHBondContact CA-O 3.46Å; D12-H19 PolarHBondContact N-O 3.11Å; D12-H19 PolarHBondContact O-N 3.16Å; D12-H19 VanDerWaalsContact O-N 3.08Å; D12-H19 WeakPolarHBondContact OD1-CA 3.39Å; D12-H19 WeakPolarHBondContact OD1-CB 3.34Å; D12-H19 IonicContact OD1-CG 3.74Å; D12-H19 PolarHBondContact OD1-N 3.39Å; D12-H19 IonicContact OD1-ND1 3.56Å; D12-H19 PolarHBondContact OD1-ND1 3.34Å; D12-H19 VanDerWaalsContact OD1-O 3.14Å; D12-H19 IonicContact OD2-CE1 2.81Å; D12-H19 IonicContact OD2-CG 2.91Å; D12-H19 IonicContact OD2-ND1 2.81Å; D12-H19 PolarHBondContact OD2-ND1 3.09Å; H19-I36 CarbonylContact C-O 3.5Å; H19-I36 WeakPolarHBondContact CA-O 3.43Å; H19-I36 VanDerWaalsContact CB-O 3.27Å; H19-I36 WeakPolarHBondContact CB-O 3.49Å; H19-K37 WeakPolarHBondContact CD2-CG 3.44Å; H19-K37 WeakPolarHBondContact NE2-CD 3.43Å; H19-K37 WeakPolarHBondContact NE2-CE 3.16Å; H19-R292 PolarHBondContact CD2-NH1 3.17Å; H19-R292 VanDerWaalsContact CD2-NH1 3.34Å; H19-R292 PolarHBondContact ND1-NH1 3.27Å; H19-R292 VanDerWaalsContact ND1-NH1 3.13Å
20M97.9Very high91.2Very high1 Ų124.1 Ų24.11%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-135.2129.2177.7179.9173.773.300108.4A10 I11 V22 R35 I36 F67 R70 L71A10-M20 CarbonylContact O-C 3.54Å; A10-M20 WeakPolarHBondContact O-CA 3.34Å; I11-M20 HydrophobicContact CD1-CG 4.24Å; I11-M20 HydrophobicContact CD1-SD 4.06Å; I11-M20 HydrophobicContact CG1-CB 3.99Å; I11-M20 HydrophobicContact CG1-CG 3.74Å; I11-M20 HydrophobicContact CG1-SD 4.23Å; M20-V22 HydrophobicContact CE-CG2 4.26Å; M20-V22 HydrophobicContact CG-CG2 4.14Å; M20-V22 HydrophobicContact SD-CG2 4.32Å; M20-R35 WeakPolarHBondContact O-CA 3.48Å; M20-I36 HydrophobicContact CB-CB 4.4Å; M20-I36 HydrophobicContact CE-CB 4.44Å; M20-I36 HydrophobicContact CE-CD1 3.34Å; M20-I36 HydrophobicContact CE-CG1 3.83Å; M20-I36 PolarHBondContact N-O 3.08Å; M20-I36 PolarHBondContact O-N 3Å; M20-F67 HydrophobicContact CB-CD1 4.36Å; M20-F67 HydrophobicContact CB-CD2 3.97Å; M20-F67 HydrophobicContact CB-CE1 4.27Å; M20-F67 HydrophobicContact CB-CE2 3.84Å; M20-F67 HydrophobicContact CB-CG 4.23Å; M20-F67 HydrophobicContact CB-CZ 4Å; M20-F67 HydrophobicContact CE-CD1 4.25Å; M20-F67 HydrophobicContact CE-CG 4.45Å; M20-F67 HydrophobicContact SD-CB 3.88Å; M20-F67 HydrophobicContact SD-CD1 4.36Å; M20-F67 HydrophobicContact SD-CD2 4.4Å; M20-F67 HydrophobicContact SD-CG 3.98Å; M20-R70 HydrophobicContact CE-CB 3.45Å; M20-R70 VanDerWaalsContact CE-CB 3.45Å; M20-R70 HydrophobicContact CE-CG 3.79Å; M20-R70 HydrophobicContact SD-CB 4.33Å; M20-L71 HydrophobicContact SD-CD2 4.02Å; M20-L71 HydrophobicContact SD-CG 4.41Å
21L97.3Very high90.7Very high0 Ų027.2 Ų27.20%016%0.159CC..EExtended strand (participates in β ladder)trans-114.6119.1172.1172.664.4000107.8A9 A10 V23 T32 R35 R292 E293 V296A9-L21 CarbonylContact C-O 3.59Å; A9-L21 WeakPolarHBondContact CA-O 3.33Å; A10-L21 PolarHBondContact N-O 2.93Å; A10-L21 PolarHBondContact O-N 3.33Å; L21-V23 HydrophobicContact CD1-CG1 3.87Å; L21-V23 HydrophobicContact CD2-CG1 4.08Å; L21-V23 HydrophobicContact CG-CG1 3.76Å; L21-T32 HydrophobicContact CD1-CG2 3.83Å; L21-R35 HydrophobicContact CD1-CG 3.78Å; L21-R292 HydrophobicContact CB-CB 4.07Å; L21-R292 HydrophobicContact CB-CG 4.44Å; L21-R292 HydrophobicContact CD2-CB 3.93Å; L21-E293 HydrophobicContact CD2-CG 4.43Å; L21-V296 HydrophobicContact CD2-CG2 3.87Å; L21-V296 HydrophobicContact CG-CG2 4.37Å
22V96.6Very high90.5Very high11 Ų1129.2 Ų29.27%0.06717%0.171CC..EExtended strand (participates in β ladder)trans-108123.8170.7-178.80000108.2Y8 A9 M20 L33 T34 I74Y8-V22 WeakPolarHBondContact O-CA 3.37Å; A9-V22 HydrophobicContact CB-CG2 4.37Å; M20-V22 HydrophobicContact CE-CG2 4.26Å; M20-V22 HydrophobicContact CG-CG2 4.14Å; M20-V22 HydrophobicContact SD-CG2 4.32Å; V22-L33 HydrophobicContact CG1-CB 4.46Å; V22-L33 PolarHBondContact O-N 3.49Å; V22-T34 PolarHBondContact N-O 3.24Å; V22-T34 PolarHBondContact O-N 2.87Å; V22-I74 HydrophobicContact CG1-CD1 3.77Å; V22-I74 HydrophobicContact CG2-CD1 4.24Å
23V94.8Very high90.3Very high0 Ų031.8 Ų31.80%019%0.185CC..EExtended strand (participates in β ladder)trans-122.2161.1178.4-54.60000111.4L7 Y8 L21 I30 Q31 V296L7-V23 WeakPolarHBondContact CA-O 3.47Å; Y8-V23 PolarHBondContact N-O 3.26Å; Y8-V23 PolarHBondContact O-N 3.38Å; L21-V23 HydrophobicContact CD1-CG1 3.87Å; L21-V23 HydrophobicContact CD2-CG1 4.08Å; L21-V23 HydrophobicContact CG-CG1 3.76Å; V23-I30 HydrophobicContact CB-CB 4.43Å; V23-Q31 CarbonylContact C-O 3.49Å; V23-Q31 VanDerWaalsContact CA-O 3.26Å; V23-Q31 WeakPolarHBondContact CA-O 3.45Å; V23-V296 HydrophobicContact CG1-CG1 4.3Å; V23-V296 HydrophobicContact CG1-CG2 4.35Å; V23-V296 HydrophobicContact CG2-CG1 3.55Å; V23-V296 HydrophobicContact CG2-CG2 4.19Å
24R92.5Very high90.1Very high102 Ų10234.1 Ų34.139%0.38520%0.199SC..EExtended strand (participates in β ladder)trans-115.4132.6165.2-176.9-179-64.5172.4-1.4109.4S6 L7 V26 Q31 L33S6-R24 CarbonylContact O-C 3.58Å; S6-R24 VanDerWaalsContact O-CA 3.28Å; S6-R24 WeakPolarHBondContact O-CA 3.37Å; S6-R24 WeakPolarHBondContact OG-CG 3.4Å; L7-R24 HydrophobicContact CD2-CB 4.07Å; L7-R24 HydrophobicContact CD2-CG 4.34Å; R24-V26 HydrophobicContact CB-CG2 4.38Å; R24-V26 HydrophobicContact CG-CG2 3.86Å; R24-V26 PolarHBondContact O-N 3.44Å; R24-Q31 HydrophobicContact CB-CB 4.39Å; R24-Q31 PolarHBondContact N-O 2.86Å; R24-Q31 PolarHBondContact O-N 3.08Å; R24-L33 HydrophobicContact CB-CD1 4.09Å; R24-L33 HydrophobicContact CB-CD2 4.3Å; R24-L33 HydrophobicContact CB-CG 4.15Å
25E87.7Confident90Very high71 Ų7139.6 Ų39.633%0.33222%0.217SC..EExtended strand (participates in β ladder)trans-74.2123.8166.4-169.3-173.916900109.8S6 Y8 S29 L300S6-E25 PolarHBondContact O-N 3Å; Y8-E25 HydrophobicContact CE2-CB 4.37Å; E25-S29 WeakPolarHBondContact CA-O 3.47Å; E25-L300 HydrophobicContact CB-CD2 4.11Å; E25-L300 HydrophobicContact CG-CD2 4.25Å
26V81.7Confident90.1Very high60 Ų6041.3 Ų41.336%0.36423%0.226SC..EExtended strand (participates in β ladder)trans-132.9112.6177.7-175.90000109R24 G28 S29 Q31R24-V26 HydrophobicContact CB-CG2 4.38Å; R24-V26 HydrophobicContact CG-CG2 3.86Å; R24-V26 PolarHBondContact O-N 3.44Å; V26-G28 VanDerWaalsContact C-N 3.31Å; V26-G28 PolarHBondContact O-N 2.96Å; V26-S29 PolarHBondContact N-O 3.12Å; V26-S29 WeakPolarHBondContact O-CA 3.42Å; V26-S29 WeakPolarHBondContact O-CB 3.43Å; V26-S29 PolarHBondContact O-N 3.11Å; V26-S29 PolarHBondContact O-OG 3.18Å; V26-Q31 HydrophobicContact CG2-CB 4.08Å
27A72.9Confident90.3Very high74 Ų7445.1 Ų45.161%0.61224%0.24SC*.THydrogen-bonded Turntrans50.244172.100000114.5S29A27-S29 VanDerWaalsContact C-N 3.32Å
28G70.4Confident90.4Very high37 Ų3749.9 Ų49.938%0.38126%0.257SS..THydrogen-bonded Turntrans78.612.4-178.700000114.7V26V26-G28 VanDerWaalsContact C-N 3.31Å; V26-G28 PolarHBondContact O-N 2.96Å
29S76.2Confident90.1Very high32 Ų3253.3 Ų53.322%0.22427%0.272CS..EExtended strand (participates in β ladder)trans-127.1167.2175.275.30000111E25 V26 A27 N315E25-S29 WeakPolarHBondContact CA-O 3.47Å; V26-S29 PolarHBondContact N-O 3.12Å; V26-S29 WeakPolarHBondContact O-CA 3.42Å; V26-S29 WeakPolarHBondContact O-CB 3.43Å; V26-S29 PolarHBondContact O-N 3.11Å; V26-S29 PolarHBondContact O-OG 3.18Å; A27-S29 VanDerWaalsContact C-N 3.32Å; S29-N315 WeakPolarHBondContact CB-ND2 3.47Å
30I86.4Confident89.9Confident24 Ų2452.1 Ų52.112%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-103.8133.8173.562.8173.4000110.3V23 V296 Y297 L300 L302V23-I30 HydrophobicContact CB-CB 4.43Å; I30-V296 HydrophobicContact CD1-CG1 4.39Å; I30-V296 HydrophobicContact CG2-CG1 4.13Å; I30-Y297 HydrophobicContact CD1-CE1 4.3Å; I30-Y297 HydrophobicContact CD1-CE2 3.78Å; I30-Y297 WeakPolarHBondContact CD1-OH 3.49Å; I30-Y297 HydrophobicContact CG2-CE1 4.3Å; I30-L300 HydrophobicContact CG2-CD1 3.16Å; I30-L302 HydrophobicContact CG2-CD1 4.42Å
31Q89.2Confident89.6Confident64 Ų6457.9 Ų57.930%0.29929%0.289SS..EExtended strand (participates in β ladder)trans-106.3114167.1-178.6-178.124.600108.2V23 R24 V26 L33V23-Q31 CarbonylContact C-O 3.49Å; V23-Q31 VanDerWaalsContact CA-O 3.26Å; V23-Q31 WeakPolarHBondContact CA-O 3.45Å; R24-Q31 HydrophobicContact CB-CB 4.39Å; R24-Q31 PolarHBondContact N-O 2.86Å; R24-Q31 PolarHBondContact O-N 3.08Å; V26-Q31 HydrophobicContact CG2-CB 4.08Å; Q31-L33 HydrophobicContact CG-CD2 4.27Å; Q31-L33 PolarHBondContact O-N 3.06Å
32T92.6Very high89.5Confident42 Ų4257.9 Ų57.926%0.25829%0.289SS..EExtended strand (participates in β ladder)trans-64.4121.9170.2-63.20000109.5L21 R35L21-T32 HydrophobicContact CD1-CG2 3.83Å; T32-R35 HydrophobicContact CG2-CG 3.74Å
33L93.6Very high89.2Confident67 Ų6757.7 Ų57.735%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-96.3-38.1173.5-62.2-174.1000111.6L7 V22 R24 Q31L7-L33 HydrophobicContact CD2-CD1 3.4Å; L7-L33 VanDerWaalsContact CD2-CD1 3.4Å; V22-L33 HydrophobicContact CG1-CB 4.46Å; V22-L33 PolarHBondContact O-N 3.49Å; R24-L33 HydrophobicContact CB-CD1 4.09Å; R24-L33 HydrophobicContact CB-CD2 4.3Å; R24-L33 HydrophobicContact CB-CG 4.15Å; Q31-L33 HydrophobicContact CG-CD2 4.27Å; Q31-L33 PolarHBondContact O-N 3.06Å
34T93.5Very high88.8Confident50 Ų5060.3 Ų60.331%0.30731%0.31SS..EExtended strand (participates in β ladder)trans-152.5137.2-178.2-580000110.6V22 I36V22-T34 PolarHBondContact N-O 3.24Å; V22-T34 PolarHBondContact O-N 2.87Å; T34-I36 HydrophobicContact CG2-CD1 3.95Å; T34-I36 HydrophobicContact CG2-CG1 3.49Å; T34-I36 VanDerWaalsContact CG2-CG1 3.49Å
35R95Very high88.8Confident123 Ų12355.8 Ų55.846%0.46430%0.295SS..EExtended strand (participates in β ladder)trans-120.2117.7166.1-70.4175.5-176.5-89.10.8107.6M20 L21 T32 E293M20-R35 WeakPolarHBondContact O-CA 3.48Å; L21-R35 HydrophobicContact CD1-CG 3.78Å; T32-R35 HydrophobicContact CG2-CG 3.74Å; R35-E293 IonicContact CZ-OE1 3.17Å; R35-E293 IonicContact NH1-OE1 3.57Å; R35-E293 PolarHBondContact NH1-OE1 2.95Å; R35-E293 IonicContact NH2-OE1 3.31Å; R35-E293 PolarHBondContact NH2-OE1 3.01Å
36I95.4Very high88.9Confident41 Ų4154.3 Ų54.321%0.2129%0.29CS..EExtended strand (participates in β ladder)trans-114.5135.1174.4-45.8-166.5000108.2H19 M20 T34 R38 F67 R70H19-I36 CarbonylContact C-O 3.5Å; H19-I36 WeakPolarHBondContact CA-O 3.43Å; H19-I36 VanDerWaalsContact CB-O 3.27Å; H19-I36 WeakPolarHBondContact CB-O 3.49Å; M20-I36 HydrophobicContact CB-CB 4.4Å; M20-I36 HydrophobicContact CE-CB 4.44Å; M20-I36 HydrophobicContact CE-CD1 3.34Å; M20-I36 HydrophobicContact CE-CG1 3.83Å; M20-I36 PolarHBondContact N-O 3.08Å; M20-I36 PolarHBondContact O-N 3Å; T34-I36 HydrophobicContact CG2-CD1 3.95Å; T34-I36 HydrophobicContact CG2-CG1 3.49Å; T34-I36 VanDerWaalsContact CG2-CG1 3.49Å; I36-R38 HydrophobicContact CG2-CG 4.37Å; I36-F67 HydrophobicContact CB-CE1 4.02Å; I36-F67 HydrophobicContact CG2-CD1 4.48Å; I36-F67 HydrophobicContact CG2-CE1 3.67Å; I36-F67 HydrophobicContact CG2-CZ 4.44Å; I36-R70 HydrophobicContact CD1-CG 4.1Å
37K94.3Very high89.4Confident114 Ų11455.1 Ų55.150%0.49629%0.292SS..EExtended strand (participates in β ladder)trans-129.8132.1172.2175.2174.4-176.1177.30108.4H19H19-K37 WeakPolarHBondContact CD2-CG 3.44Å; H19-K37 WeakPolarHBondContact NE2-CD 3.43Å; H19-K37 WeakPolarHBondContact NE2-CE 3.16Å
38R95.1Very high90.2Very high104 Ų10457.4 Ų57.439%0.39230%0.303SS..EExtended strand (participates in β ladder)trans-133.2131.9170.5-61.7-164.976.5-140.56.6110.6S17 F18 I36 V40 L66 F67S17-R38 CarbonylContact C-O 3.52Å; S17-R38 WeakPolarHBondContact CA-O 3.22Å; S17-R38 WeakPolarHBondContact CB-O 3.27Å; F18-R38 PolarHBondContact N-O 3.15Å; F18-R38 PolarHBondContact O-N 3Å; I36-R38 HydrophobicContact CG2-CG 4.37Å; R38-V40 PolarHBondContact O-N 3.38Å; R38-V40 VanDerWaalsContact O-N 3.17Å; R38-L66 VanDerWaalsContact NH1-CD1 3.26Å; R38-F67 HydrophobicContact CG-CE1 4.47Å
39K91Very high91.4Very high72 Ų7262.6 Ų62.631%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-73.2104.2173-74.9177.9170.8168.20109.4E260K39-E260 WeakPolarHBondContact CE-OE2 3.2Å; K39-E260 VanDerWaalsContact NZ-CB 3.26Å; K39-E260 PolarHBondContact NZ-O 3.12Å; K39-E260 IonicContact NZ-OE2 3.64Å; K39-E260 PolarHBondContact NZ-OE2 3.49Å
40V94.1Very high92.2Very high5 Ų564.2 Ų64.23%0.0332%0.324CS..  trans-89.8-31.1175.11760000110.8N16 F18 R38 L42 R59 C63N16-V40 PolarHBondContact O-N 3.37Å; N16-V40 VanDerWaalsContact O-N 3.17Å; F18-V40 HydrophobicContact CB-CG2 4.08Å; F18-V40 HydrophobicContact CD1-CB 4.2Å; F18-V40 HydrophobicContact CD1-CG2 3.94Å; F18-V40 HydrophobicContact CD2-CG2 3.71Å; F18-V40 HydrophobicContact CE1-CB 4.24Å; F18-V40 HydrophobicContact CE1-CG1 4.23Å; F18-V40 HydrophobicContact CE1-CG2 4.3Å; F18-V40 HydrophobicContact CE2-CG1 4.37Å; F18-V40 HydrophobicContact CE2-CG2 4.09Å; F18-V40 HydrophobicContact CG-CB 4.39Å; F18-V40 HydrophobicContact CG-CG2 3.63Å; F18-V40 HydrophobicContact CZ-CB 4.47Å; F18-V40 HydrophobicContact CZ-CG1 4.08Å; F18-V40 HydrophobicContact CZ-CG2 4.36Å; R38-V40 PolarHBondContact O-N 3.38Å; R38-V40 VanDerWaalsContact O-N 3.17Å; V40-L42 HydrophobicContact CG1-CB 4.2Å; V40-L42 HydrophobicContact CG1-CD1 4.26Å; V40-R59 HydrophobicContact CG1-CB 4.31Å; V40-R59 PolarHBondContact O-NE 3.42Å; V40-C63 HydrophobicContact CG2-CB 3.84Å
41R91.6Very high92.8Very high123 Ų12364.1 Ų64.146%0.46433%0.327SS..  trans49.357.1-172.4-57.5-178-178.2-178.70.7110.3N16 A44 R59N16-R41 PolarHBondContact O-N 3.28Å; R41-A44 HydrophobicContact CB-CB 4.24Å; R41-R59 PolarHBondContact O-NH2 3.36Å; R41-R59 VanDerWaalsContact O-NH2 3.11Å
42L93.9Very high93.1Very high0 Ų061.4 Ų61.40%031%0.314CS..  trans-68.3-41.6-177.5-165.269.7000110.4S15 F18 V40 A44 G45 L52 A56 T86 L87 F96S15-L42 PolarHBondContact O-N 3.33Å; F18-L42 HydrophobicContact CE1-CB 4.48Å; F18-L42 HydrophobicContact CE1-CD2 4.1Å; F18-L42 HydrophobicContact CZ-CD2 4.12Å; V40-L42 HydrophobicContact CG1-CB 4.2Å; V40-L42 HydrophobicContact CG1-CD1 4.26Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.08Å; L42-G45 PolarHBondContact O-N 2.95Å; L42-L52 HydrophobicContact CD1-CD1 4.41Å; L42-L52 HydrophobicContact CD1-CD2 4.24Å; L42-L52 HydrophobicContact CG-CD1 4.46Å; L42-L52 HydrophobicContact CG-CD2 4.02Å; L42-L52 WeakPolarHBondContact O-CD2 3.25Å; L42-A56 HydrophobicContact CD1-CB 4.39Å; L42-T86 HydrophobicContact CB-CG2 4.05Å; L42-T86 HydrophobicContact CD2-CG2 3.76Å; L42-T86 HydrophobicContact CG-CG2 3.69Å; L42-L87 HydrophobicContact CD2-CD1 4.13Å; L42-L87 HydrophobicContact CD2-CD2 4.13Å; L42-L87 HydrophobicContact CD2-CG 3.86Å; L42-F96 HydrophobicContact CD1-CE2 4.2Å
43A90.3Very high93.3Very high6 Ų661.3 Ų61.35%0.0532%0.315CS..G310 helixtrans-59.1-40.7178.500000113.5S15 G45 L46 T86 V165S15-A43 PolarHBondContact O-N 3.19Å; A43-G45 PolarHBondContact O-N 2.84Å; A43-L46 WeakPolarHBondContact O-CB 3.47Å; A43-L46 PolarHBondContact O-N 3.14Å; A43-T86 WeakPolarHBondContact CB-OG1 3.28Å; A43-V165 HydrophobicContact CB-CG1 4.48Å
44A87.8Confident93.5Very high56 Ų5664 Ų6446%0.46333%0.33SS..G310 helixtrans-64.6-8.2177.200000113.3R41 L42R41-A44 HydrophobicContact CB-CB 4.24Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-A44 PolarHBondContact O-N 3.08Å
45G91.2Very high93.7Very high7 Ų767.7 Ų67.77%0.07234%0.344CS..G310 helixtrans-93.1-4.8173.100000114.7L42 A43 S53L42-G45 PolarHBondContact O-N 2.95Å; A43-G45 PolarHBondContact O-N 2.84Å; G45-S53 WeakPolarHBondContact CA-OG 3.41Å; G45-S53 PolarHBondContact O-N 2.97Å; G45-S53 PolarHBondContact O-OG 3.28Å
46L91.5Very high93.8Very high40 Ų4061.9 Ų61.921%0.20932%0.322CS..BIsolated β-bridgetrans-78.1130.5175.5-73.4172.3000110.2A43 N50 A51 L52 T86 L89 A90A43-L46 WeakPolarHBondContact O-CB 3.47Å; A43-L46 PolarHBondContact O-N 3.14Å; L46-N50 HydrophobicContact CD2-CB 4.5Å; L46-N50 WeakPolarHBondContact CD2-O 3.5Å; L46-A51 WeakPolarHBondContact CA-O 3.29Å; L46-L52 HydrophobicContact CD2-CD2 3.65Å; L46-L52 HydrophobicContact CD2-CG 3.82Å; L46-L52 HydrophobicContact CG-CD2 3.83Å; L46-T86 HydrophobicContact CD1-CG2 3.9Å; L46-T86 HydrophobicContact CG-CG2 4.19Å; L46-L89 HydrophobicContact CD1-CB 4.47Å; L46-A90 HydrophobicContact CD2-CB 3.93Å
47N92Very high93.9Very high77 Ų7760.3 Ų60.341%0.41231%0.314SS..  trans-88.8-176.417072.17.4000111.7E49 N50 A51N47-E49 PolarHBondContact O-N 3.39Å; N47-E49 VanDerWaalsContact O-N 3.15Å; N47-E49 WeakPolarHBondContact OD1-CA 3.33Å; N47-E49 PolarHBondContact OD1-N 3.5Å; N47-N50 PolarHBondContact O-N 3.21Å; N47-N50 PolarHBondContact OD1-N 3.26Å; N47-A51 PolarHBondContact N-O 2.94Å; N47-A51 PolarHBondContact OD1-N 3.35Å; N47-A51 PolarHBondContact OD1-O 3.47Å
48S89.9Confident94.1Very high122 Ų12257.9 Ų57.985%0.85330%0.304SS*.THydrogen-bonded Turntrans-62.1-18.4178.552.40000115
49E94.3Very high94.2Very high145 Ų14557.4 Ų57.468%0.67830%0.302SS*.THydrogen-bonded Turntrans-96.28.8177-61.5178.3179.800112.1N47 A51N47-E49 PolarHBondContact O-N 3.39Å; N47-E49 VanDerWaalsContact O-N 3.15Å; N47-E49 WeakPolarHBondContact OD1-CA 3.33Å; N47-E49 PolarHBondContact OD1-N 3.5Å; E49-A51 PolarHBondContact O-N 3.19Å
50N94.3Very high94.6Very high67 Ų6754 Ų5436%0.35829%0.287SS..  trans57.130-171.7-59.5-49.1000113.7L46 N47 L89 A90 V91L46-N50 HydrophobicContact CD2-CB 4.5Å; L46-N50 WeakPolarHBondContact CD2-O 3.5Å; N47-N50 PolarHBondContact O-N 3.21Å; N47-N50 PolarHBondContact OD1-N 3.26Å; N50-L89 WeakPolarHBondContact CB-O 3.35Å; N50-A90 CarbonylContact O-C 3.5Å; N50-A90 WeakPolarHBondContact O-CA 3.4Å; N50-V91 HydrophobicContact CB-CG1 4.33Å; N50-V91 PolarHBondContact O-N 3.18Å
51A97.2Very high94.8Very high22 Ų2255.7 Ų55.718%0.18229%0.293CS..PPolyproline II helixtrans-90.4132169.900000110.3L46 N47 E49 V91L46-A51 WeakPolarHBondContact CA-O 3.29Å; N47-A51 PolarHBondContact N-O 2.94Å; N47-A51 PolarHBondContact OD1-N 3.35Å; N47-A51 PolarHBondContact OD1-O 3.47Å; E49-A51 PolarHBondContact O-N 3.19Å; A51-V91 HydrophobicContact CB-CG2 4Å
52L96.8Very high95.1Very high6 Ų654.3 Ų54.33%0.03129%0.292CS..BIsolated β-bridgetrans-74.4128.7171.7-73170.2000110.3L42 L46 M57 T86 L87 A90 N92L42-L52 HydrophobicContact CD1-CD1 4.41Å; L42-L52 HydrophobicContact CD1-CD2 4.24Å; L42-L52 HydrophobicContact CG-CD1 4.46Å; L42-L52 HydrophobicContact CG-CD2 4.02Å; L42-L52 WeakPolarHBondContact O-CD2 3.25Å; L46-L52 HydrophobicContact CD2-CD2 3.65Å; L46-L52 HydrophobicContact CD2-CG 3.82Å; L46-L52 HydrophobicContact CG-CD2 3.83Å; L52-M57 HydrophobicContact CB-CG 3.93Å; L52-M57 HydrophobicContact CB-SD 4.34Å; L52-M57 HydrophobicContact CD1-CG 4.41Å; L52-T86 HydrophobicContact CD2-CG2 3.97Å; L52-L87 HydrophobicContact CD1-CD2 3.83Å; L52-A90 HydrophobicContact CD1-CB 3.7Å; L52-A90 HydrophobicContact CG-CB 3.75Å; L52-N92 PolarHBondContact N-OD1 3.3Å; L52-N92 PolarHBondContact O-ND2 3.36Å
53S97.3Very high95.3Very high40 Ų4054.3 Ų54.328%0.2829%0.292SS..PPolyproline II helixtrans-61.2149.1169540000112.5G45 E55 A56 M57G45-S53 WeakPolarHBondContact CA-OG 3.41Å; G45-S53 PolarHBondContact O-N 2.97Å; G45-S53 PolarHBondContact O-OG 3.28Å; S53-E55 VanDerWaalsContact C-N 3.25Å; S53-E55 WeakPolarHBondContact CB-OE2 3.39Å; S53-E55 PolarHBondContact O-N 2.89Å; S53-A56 PolarHBondContact O-N 3.47Å; S53-A56 VanDerWaalsContact O-N 3.12Å; S53-A56 WeakPolarHBondContact OG-CB 3.44Å; S53-M57 PolarHBondContact O-N 3.43Å; S53-M57 VanDerWaalsContact O-N 3.08Å
54N97.7Very high95.7Very high124 Ų12454 Ų5466%0.66329%0.29SS*.Hα-helixtrans-59.4-37.3176.5-71.9-25.5000111.7A56 M57 E58N54-A56 VanDerWaalsContact C-N 3.32Å; N54-A56 PolarHBondContact O-N 3.5Å; N54-M57 PolarHBondContact O-N 2.92Å; N54-M57 VanDerWaalsContact OD1-CE 3.22Å; N54-M57 WeakPolarHBondContact OD1-CE 3.45Å; N54-E58 WeakPolarHBondContact O-CB 3.43Å; N54-E58 PolarHBondContact O-N 3.35Å
55E97.8Very high96.2Very high128 Ų12856.1 Ų56.160%0.59829%0.286SS*.Hα-helixtrans-63.8-38.6177.3-60.386.2177.900111.8S53 R59S53-E55 VanDerWaalsContact C-N 3.25Å; S53-E55 WeakPolarHBondContact CB-OE2 3.39Å; S53-E55 PolarHBondContact O-N 2.89Å; E55-R59 VanDerWaalsContact O-CG 3.32Å; E55-R59 WeakPolarHBondContact O-CG 3.18Å; E55-R59 PolarHBondContact O-N 3.17Å; E55-R59 VanDerWaalsContact O-N 3.08Å; E55-R59 PolarHBondContact O-NH1 2.92Å
56A95.9Very high96.5Very high0 Ų059.2 Ų59.20%030%0.3CS..Hα-helixtrans-69.9-40.6178.100000112.3L42 S53 N54 R59 G60L42-A56 HydrophobicContact CD1-CB 4.39Å; S53-A56 PolarHBondContact O-N 3.47Å; S53-A56 VanDerWaalsContact O-N 3.12Å; S53-A56 WeakPolarHBondContact OG-CB 3.44Å; N54-A56 VanDerWaalsContact C-N 3.32Å; N54-A56 PolarHBondContact O-N 3.5Å; A56-R59 PolarHBondContact O-N 2.89Å; A56-G60 PolarHBondContact O-N 3.08Å; A56-G60 VanDerWaalsContact O-N 3.08Å
57M98.4Very high96.8Very high8 Ų857.3 Ų57.34%0.03929%0.29CS..Hα-helixtrans-62.7-46.5174.8-66.4-166.3-71.600111.6L52 S53 N54 R59 G60 W61 F96L52-M57 HydrophobicContact CB-CG 3.93Å; L52-M57 HydrophobicContact CB-SD 4.34Å; L52-M57 HydrophobicContact CD1-CG 4.41Å; S53-M57 PolarHBondContact O-N 3.43Å; S53-M57 VanDerWaalsContact O-N 3.08Å; N54-M57 PolarHBondContact O-N 2.92Å; N54-M57 VanDerWaalsContact OD1-CE 3.22Å; N54-M57 WeakPolarHBondContact OD1-CE 3.45Å; M57-R59 PolarHBondContact O-N 2.87Å; M57-G60 CarbonylContact O-C 3.6Å; M57-G60 WeakPolarHBondContact O-CA 3.39Å; M57-G60 PolarHBondContact O-N 3.08Å; M57-G60 VanDerWaalsContact O-N 3.08Å; M57-W61 HydrophobicContact CB-CD2 4.49Å; M57-W61 HydrophobicContact CB-CE3 4.42Å; M57-W61 HydrophobicContact CB-CH2 3.93Å; M57-W61 HydrophobicContact CB-CZ2 4.02Å; M57-W61 HydrophobicContact CB-CZ3 4.13Å; M57-W61 PolarHBondContact O-N 2.8Å; M57-W61 HydrophobicContact SD-CH2 4.35Å; M57-W61 HydrophobicContact SD-CZ2 4.3Å; M57-F96 HydrophobicContact CB-CD2 3.94Å; M57-F96 HydrophobicContact CG-CB 4.47Å; M57-F96 HydrophobicContact CG-CD2 3.88Å; M57-F96 HydrophobicContact SD-CB 4.22Å
58E98.3Very high97Very high63 Ų6354.8 Ų54.829%0.29428%0.28SS..Hα-helixtrans-64.4-40.6179.2-17757.1-146.200112N54 G60 W61 Q62 R65N54-E58 WeakPolarHBondContact O-CB 3.43Å; N54-E58 PolarHBondContact O-N 3.35Å; E58-G60 VanDerWaalsContact C-N 3.27Å; E58-G60 PolarHBondContact O-N 3.11Å; E58-W61 PolarHBondContact O-N 2.95Å; E58-Q62 HydrophobicContact CG-CG 4.4Å; E58-Q62 WeakPolarHBondContact O-CB 3.44Å; E58-Q62 VanDerWaalsContact O-CG 3.25Å; E58-Q62 WeakPolarHBondContact O-CG 3.34Å; E58-Q62 PolarHBondContact O-N 2.86Å; E58-Q62 VanDerWaalsContact OE1-CG 3.29Å; E58-Q62 WeakPolarHBondContact OE1-CG 3.36Å; E58-Q62 PolarHBondContact OE1-NE2 2.85Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.09Å; E58-R65 IonicContact OE1-CZ 3.06Å; E58-R65 IonicContact OE1-NH1 3.97Å; E58-R65 PolarHBondContact OE1-NH1 2.92Å; E58-R65 IonicContact OE1-NH2 2.67Å; E58-R65 IonicContact OE2-NH2 2.65Å
59R97.9Very high97.3Very high94 Ų9454.7 Ų54.736%0.35527%0.266SS..Hα-helixtrans-57.4-42171.6-74.3-169.4-50-88.87.9111.7V40 R41 E55 A56 M57 C63V40-R59 HydrophobicContact CG1-CB 4.31Å; V40-R59 PolarHBondContact O-NE 3.42Å; R41-R59 PolarHBondContact O-NH2 3.36Å; R41-R59 VanDerWaalsContact O-NH2 3.11Å; E55-R59 VanDerWaalsContact O-CG 3.32Å; E55-R59 WeakPolarHBondContact O-CG 3.18Å; E55-R59 PolarHBondContact O-N 3.17Å; E55-R59 VanDerWaalsContact O-N 3.08Å; E55-R59 PolarHBondContact O-NH1 2.92Å; A56-R59 PolarHBondContact O-N 2.89Å; M57-R59 PolarHBondContact O-N 2.87Å; R59-C63 PolarHBondContact O-N 2.86Å; R59-C63 VanDerWaalsContact O-N 3.11Å
60G98.3Very high97.2Very high0 Ų055.2 Ų55.20%026%0.262CS..Hα-helixtrans-62.5-51.9176.200000111.7A56 M57 E58 Q62 C63 L64A56-G60 PolarHBondContact O-N 3.08Å; A56-G60 VanDerWaalsContact O-N 3.08Å; M57-G60 CarbonylContact O-C 3.6Å; M57-G60 WeakPolarHBondContact O-CA 3.39Å; M57-G60 PolarHBondContact O-N 3.08Å; M57-G60 VanDerWaalsContact O-N 3.08Å; E58-G60 VanDerWaalsContact C-N 3.27Å; E58-G60 PolarHBondContact O-N 3.11Å; G60-Q62 PolarHBondContact O-N 3.03Å; G60-C63 WeakPolarHBondContact O-CA 3.37Å; G60-C63 VanDerWaalsContact O-CB 3.3Å; G60-C63 WeakPolarHBondContact O-CB 3.37Å; G60-C63 PolarHBondContact O-N 3.33Å; G60-C63 VanDerWaalsContact O-N 3.09Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.88Å
61W98.7Very high97.3Very high41 Ų4152.5 Ų52.516%0.15525%0.247CC..Hα-helixtrans-61.9-39.5178.7-63.4-32.2000113.1M57 E58 C63 L64 R65 F96 K99 I103M57-W61 HydrophobicContact CB-CD2 4.49Å; M57-W61 HydrophobicContact CB-CE3 4.42Å; M57-W61 HydrophobicContact CB-CH2 3.93Å; M57-W61 HydrophobicContact CB-CZ2 4.02Å; M57-W61 HydrophobicContact CB-CZ3 4.13Å; M57-W61 PolarHBondContact O-N 2.8Å; M57-W61 HydrophobicContact SD-CH2 4.35Å; M57-W61 HydrophobicContact SD-CZ2 4.3Å; E58-W61 PolarHBondContact O-N 2.95Å; W61-C63 VanDerWaalsContact C-N 3.3Å; W61-C63 PolarHBondContact O-N 3.5Å; W61-L64 PolarHBondContact O-N 3.46Å; W61-L64 VanDerWaalsContact O-N 3.13Å; W61-R65 WeakPolarHBondContact O-CG 3.32Å; W61-R65 PolarHBondContact O-N 3.17Å; W61-F96 AromaticContact CD1-CE2 3.8Å; W61-F96 AromaticContact CE2-CD2 3.98Å; W61-F96 HydrophobicContact CG-CE2 4.5Å; W61-F96 HydrophobicContact CZ2-CD2 4.43Å; W61-F96 AromaticContact NE1-CD2 3.47Å; W61-F96 AromaticContact NE1-CE2 3.71Å; W61-F96 AromaticContact NE1-CG 3.98Å; W61-F96 PolarHBondContact NE1-O 3.3Å; W61-K99 HydrophobicContact CD2-CB 4.28Å; W61-K99 HydrophobicContact CD2-CG 3.85Å; W61-K99 HydrophobicContact CE3-CG 4.38Å; W61-K99 HydrophobicContact CG-CG 4.11Å; W61-K99 HydrophobicContact CZ2-CB 3.75Å; W61-K99 HydrophobicContact CZ2-CG 4.08Å; W61-I103 HydrophobicContact CB-CD1 3.68Å; W61-I103 HydrophobicContact CG-CD1 4.01Å
62Q98.3Very high97Very high95 Ų9559.1 Ų59.144%0.44427%0.274SS..Hα-helixtrans-60.4-40.7172.8-73.2174.76.400112E58 G60 L64 R65 L66E58-Q62 HydrophobicContact CG-CG 4.4Å; E58-Q62 WeakPolarHBondContact O-CB 3.44Å; E58-Q62 VanDerWaalsContact O-CG 3.25Å; E58-Q62 WeakPolarHBondContact O-CG 3.34Å; E58-Q62 PolarHBondContact O-N 2.86Å; E58-Q62 VanDerWaalsContact OE1-CG 3.29Å; E58-Q62 WeakPolarHBondContact OE1-CG 3.36Å; E58-Q62 PolarHBondContact OE1-NE2 2.85Å; E58-Q62 VanDerWaalsContact OE1-NE2 3.09Å; G60-Q62 PolarHBondContact O-N 3.03Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-R65 PolarHBondContact O-N 3.17Å; Q62-L66 PolarHBondContact O-N 2.95Å
63C98.3Very high96.7Very high0 Ų065.3 Ų65.30%031%0.308CS..Hα-helixtrans-62.3-42.3173.1-173.50000112F18 V40 R59 G60 W61 L66 F67F18-C63 HydrophobicContact CD2-CB 4.12Å; V40-C63 HydrophobicContact CG2-CB 3.84Å; R59-C63 PolarHBondContact O-N 2.86Å; R59-C63 VanDerWaalsContact O-N 3.11Å; G60-C63 WeakPolarHBondContact O-CA 3.37Å; G60-C63 VanDerWaalsContact O-CB 3.3Å; G60-C63 WeakPolarHBondContact O-CB 3.37Å; G60-C63 PolarHBondContact O-N 3.33Å; G60-C63 VanDerWaalsContact O-N 3.09Å; W61-C63 VanDerWaalsContact C-N 3.3Å; W61-C63 PolarHBondContact O-N 3.5Å; C63-L66 PolarHBondContact O-N 2.95Å; C63-F67 PolarHBondContact O-N 2.91Å; C63-F67 VanDerWaalsContact O-N 3.1Å
64L98.5Very high96.6Very high0 Ų063.9 Ų63.90%030%0.296CS..Hα-helixtrans-66.9-34.4179.2-64.5-176.9000113L13 F18 G60 W61 Q62 L66 F67 A68 F96 A100 I103 L104L13-L64 HydrophobicContact CD2-CD2 3.61Å; F18-L64 HydrophobicContact CD2-CD2 3.96Å; F18-L64 HydrophobicContact CD2-CG 4.41Å; F18-L64 HydrophobicContact CE2-CD2 4.13Å; F18-L64 HydrophobicContact CE2-CG 4.21Å; G60-L64 WeakPolarHBondContact O-CG 3.28Å; G60-L64 PolarHBondContact O-N 2.88Å; W61-L64 PolarHBondContact O-N 3.46Å; W61-L64 VanDerWaalsContact O-N 3.13Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-L66 PolarHBondContact O-N 2.74Å; L64-F67 HydrophobicContact CD2-CD2 4.28Å; L64-F67 PolarHBondContact O-N 2.85Å; L64-F67 VanDerWaalsContact O-N 3.13Å; L64-A68 WeakPolarHBondContact O-CB 3.3Å; L64-A68 PolarHBondContact O-N 3.07Å; L64-F96 HydrophobicContact CD1-CZ 4.42Å; L64-A100 HydrophobicContact CD1-CB 3.31Å; L64-I103 HydrophobicContact CB-CG2 3.87Å; L64-L104 HydrophobicContact CB-CD2 4.23Å; L64-L104 HydrophobicContact CB-CG 4.42Å; L64-L104 HydrophobicContact CD1-CD1 4.27Å; L64-L104 HydrophobicContact CD2-CD1 4.06Å; L64-L104 HydrophobicContact CD2-CD2 4.31Å
65R98.3Very high96.4Very high100 Ų10060 Ų6038%0.37728%0.278SS..Hα-helixtrans-60.3-42.6173.8-69.4176.6-164.1121.32.5111.2E58 W61 Q62 F67 A68 E69 I103E58-R65 IonicContact OE1-CZ 3.06Å; E58-R65 IonicContact OE1-NH1 3.97Å; E58-R65 PolarHBondContact OE1-NH1 2.92Å; E58-R65 IonicContact OE1-NH2 2.67Å; E58-R65 IonicContact OE2-NH2 2.65Å; W61-R65 WeakPolarHBondContact O-CG 3.32Å; W61-R65 PolarHBondContact O-N 3.17Å; Q62-R65 PolarHBondContact O-N 3.17Å; R65-F67 VanDerWaalsContact C-N 3.32Å; R65-F67 PolarHBondContact O-N 3.39Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 2.97Å; R65-E69 PolarHBondContact O-N 2.87Å; R65-I103 HydrophobicContact CB-CG2 4.32Å; R65-I103 HydrophobicContact CG-CD1 4.16Å; R65-I103 HydrophobicContact CG-CG1 4.27Å; R65-I103 HydrophobicContact CG-CG2 3.75Å
66L96.6Very high96.2Very high71 Ų7157.8 Ų57.837%0.37228%0.275SS..Hα-helixtrans-65.9-33.9174.4-62.2176.4000112.7R38 Q62 C63 L64R38-L66 VanDerWaalsContact NH1-CD1 3.26Å; Q62-L66 PolarHBondContact O-N 2.95Å; C63-L66 PolarHBondContact O-N 2.95Å; L64-L66 VanDerWaalsContact C-N 3.32Å; L64-L66 PolarHBondContact O-N 2.74Å
67F97.8Very high96.1Very high1 Ų162 Ų620%0.00431%0.305CS..Hα-helixtrans-69.7-42.2174.8-72.12.9000110.7I11 F18 M20 I36 R38 C63 L64 R65 E69 R70 L71 L104I11-F67 HydrophobicContact CD1-CB 4.29Å; I11-F67 HydrophobicContact CD1-CD2 4.1Å; I11-F67 HydrophobicContact CG1-CD2 4.33Å; I11-F67 HydrophobicContact CG2-CD2 3.92Å; I11-F67 HydrophobicContact CG2-CE2 4.07Å; F18-F67 HydrophobicContact CB-CE2 3.9Å; F18-F67 HydrophobicContact CB-CZ 4.15Å; M20-F67 HydrophobicContact CB-CD1 4.36Å; M20-F67 HydrophobicContact CB-CD2 3.97Å; M20-F67 HydrophobicContact CB-CE1 4.27Å; M20-F67 HydrophobicContact CB-CE2 3.84Å; M20-F67 HydrophobicContact CB-CG 4.23Å; M20-F67 HydrophobicContact CB-CZ 4Å; M20-F67 HydrophobicContact CE-CD1 4.25Å; M20-F67 HydrophobicContact CE-CG 4.45Å; M20-F67 HydrophobicContact SD-CB 3.88Å; M20-F67 HydrophobicContact SD-CD1 4.36Å; M20-F67 HydrophobicContact SD-CD2 4.4Å; M20-F67 HydrophobicContact SD-CG 3.98Å; I36-F67 HydrophobicContact CB-CE1 4.02Å; I36-F67 HydrophobicContact CG2-CD1 4.48Å; I36-F67 HydrophobicContact CG2-CE1 3.67Å; I36-F67 HydrophobicContact CG2-CZ 4.44Å; R38-F67 HydrophobicContact CG-CE1 4.47Å; C63-F67 PolarHBondContact O-N 2.91Å; C63-F67 VanDerWaalsContact O-N 3.1Å; L64-F67 HydrophobicContact CD2-CD2 4.28Å; L64-F67 PolarHBondContact O-N 2.85Å; L64-F67 VanDerWaalsContact O-N 3.13Å; R65-F67 VanDerWaalsContact C-N 3.32Å; R65-F67 PolarHBondContact O-N 3.39Å; F67-E69 VanDerWaalsContact C-N 3.27Å; F67-E69 PolarHBondContact O-N 3.08Å; F67-R70 WeakPolarHBondContact O-CA 3.27Å; F67-R70 WeakPolarHBondContact O-CB 3.29Å; F67-R70 PolarHBondContact O-N 3.11Å; F67-L71 WeakPolarHBondContact O-CG 3.2Å; F67-L71 PolarHBondContact O-N 2.94Å; F67-L104 HydrophobicContact CB-CD2 4.4Å
68A97.3Very high95.9Very high23 Ų2362.8 Ų62.819%0.1931%0.308CS..Hα-helixtrans-56.2-38.1178.600000112.8L64 R65 R70 L71 I103 L104L64-A68 WeakPolarHBondContact O-CB 3.3Å; L64-A68 PolarHBondContact O-N 3.07Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 2.97Å; A68-R70 PolarHBondContact O-N 3.28Å; A68-R70 VanDerWaalsContact O-N 3.15Å; A68-L71 PolarHBondContact O-N 3.15Å; A68-I103 HydrophobicContact CB-CG2 4.26Å; A68-I103 WeakPolarHBondContact CB-O 2.9Å; A68-L104 HydrophobicContact CB-CD2 4.38Å
69E95.3Very high95.9Very high121 Ų12160.3 Ų60.357%0.56530%0.297SS*.Hα-helixtrans-56.5-29173.5-69.2175.5-175.900113.2R65 F67R65-E69 PolarHBondContact O-N 2.87Å; F67-E69 VanDerWaalsContact C-N 3.27Å; F67-E69 PolarHBondContact O-N 3.08Å
70R93.4Very high95.9Very high156 Ų15661.9 Ų61.959%0.58930%0.303SS*.Hα-helixtrans-93-7.7-179.7-57.9-62.1-176.7146.9-2.4113.6M20 I36 F67 A68M20-R70 HydrophobicContact CE-CB 3.45Å; M20-R70 VanDerWaalsContact CE-CB 3.45Å; M20-R70 HydrophobicContact CE-CG 3.79Å; M20-R70 HydrophobicContact SD-CB 4.33Å; I36-R70 HydrophobicContact CD1-CG 4.1Å; F67-R70 WeakPolarHBondContact O-CA 3.27Å; F67-R70 WeakPolarHBondContact O-CB 3.29Å; F67-R70 PolarHBondContact O-N 3.11Å; A68-R70 PolarHBondContact O-N 3.28Å; A68-R70 VanDerWaalsContact O-N 3.15Å
71L95.4Very high95.9Very high9 Ų962.1 Ų62.15%0.04730%0.304CS..Hα-helixtrans-95-7.4-179-63.5176.5000113.1A9 I11 M20 F67 A68 D73 I74 I79 L104A9-L71 HydrophobicContact CB-CD2 3.48Å; A9-L71 VanDerWaalsContact CB-CD2 3.48Å; I11-L71 HydrophobicContact CD1-CD1 3.79Å; I11-L71 HydrophobicContact CD1-CD2 4.29Å; I11-L71 HydrophobicContact CD1-CG 4.49Å; M20-L71 HydrophobicContact SD-CD2 4.02Å; M20-L71 HydrophobicContact SD-CG 4.41Å; F67-L71 WeakPolarHBondContact O-CG 3.2Å; F67-L71 PolarHBondContact O-N 2.94Å; A68-L71 PolarHBondContact O-N 3.15Å; L71-D73 PolarHBondContact O-N 2.62Å; L71-D73 VanDerWaalsContact O-N 3.09Å; L71-I74 HydrophobicContact CD2-CD1 4.24Å; L71-I74 PolarHBondContact O-N 3.13Å; L71-I79 HydrophobicContact CB-CD1 4Å; L71-I79 HydrophobicContact CD1-CD1 4.25Å; L71-I79 HydrophobicContact CD1-CG2 4.37Å; L71-I79 HydrophobicContact CD2-CD1 4.06Å; L71-I79 HydrophobicContact CD2-CG1 4.32Å; L71-I79 HydrophobicContact CD2-CG2 4.41Å; L71-I79 HydrophobicContact CG-CD1 4.31Å; L71-L104 HydrophobicContact CD1-CD2 3.87Å
72Q91.5Very high95.9Very high162 Ų16260.3 Ų60.376%0.75730%0.298SS*.THydrogen-bonded Turntrans-54.9-33.4-170.8-66.1-174.5-26.200114.4
73D89.8Confident95.9Very high136 Ų13655.8 Ų55.873%0.72728%0.277SS*.THydrogen-bonded Turntrans-96.79.6-178.9-60.8-45.4000114L71L71-D73 PolarHBondContact O-N 2.62Å; L71-D73 VanDerWaalsContact O-N 3.09Å
74I95.3Very high95.8Very high9 Ų956 Ų565%0.04628%0.278CS..SBendtrans-113120.9-175.7-51.4-178.5000109L7 A9 V22 L71 Q78 I79L7-I74 HydrophobicContact CB-CD1 4.39Å; L7-I74 HydrophobicContact CB-CG1 4Å; L7-I74 HydrophobicContact CD1-CG1 4.28Å; A9-I74 HydrophobicContact CB-CD1 3.85Å; V22-I74 HydrophobicContact CG1-CD1 3.77Å; V22-I74 HydrophobicContact CG2-CD1 4.24Å; L71-I74 HydrophobicContact CD2-CD1 4.24Å; L71-I74 PolarHBondContact O-N 3.13Å; I74-Q78 HydrophobicContact CG2-CB 4.16Å; I74-I79 HydrophobicContact CB-CD1 4.15Å; I74-I79 HydrophobicContact CB-CG1 4.12Å; I74-I79 HydrophobicContact CG2-CD1 4.2Å; I74-I79 HydrophobicContact CG2-CG1 3.62Å
75P93.6Very high95.7Very high42 Ų4256.3 Ų56.327%0.27328%0.28SS..  trans-56.1137.1177.1-26.435.2000111.6S77 Q78P75-S77 PolarHBondContact O-N 2.97Å; P75-Q78 HydrophobicContact CB-CG 4.44Å; P75-Q78 WeakPolarHBondContact O-CA 3.41Å; P75-Q78 WeakPolarHBondContact O-CB 3.32Å; P75-Q78 PolarHBondContact O-N 3.21Å
76P94Very high95.5Very high82 Ų8251.6 Ų51.653%0.53226%0.262SS..G310 helixtrans-54.4-30.2-179.5-29.935.7000114.7Q78 I79P76-Q78 PolarHBondContact O-N 3.39Å; P76-I79 PolarHBondContact O-N 3.23Å
77S92.8Very high95.5Very high90 Ų9048.4 Ų48.463%0.62925%0.246SC*.G310 helixtrans-67.9-17.4175.455.30000114.2P75P75-S77 PolarHBondContact O-N 2.97Å
78Q95.4Very high95.5Very high24 Ų2451.9 Ų51.911%0.11226%0.259CS..G310 helixtrans-105.712179.8-64.6175.6-136.100111.9S5 L7 Y8 A9 I74 P75 P76S5-Q78 PolarHBondContact O-NE2 2.84Å; L7-Q78 PolarHBondContact O-NE2 3.32Å; Y8-Q78 WeakPolarHBondContact CA-O 3.48Å; Y8-Q78 HydrophobicContact CD1-CB 3.76Å; Y8-Q78 HydrophobicContact CD1-CG 3.97Å; Y8-Q78 HydrophobicContact CE1-CB 4.03Å; Y8-Q78 HydrophobicContact CE1-CG 3.68Å; Y8-Q78 HydrophobicContact CG-CB 4.35Å; A9-Q78 PolarHBondContact N-O 3.13Å; I74-Q78 HydrophobicContact CG2-CB 4.16Å; P75-Q78 HydrophobicContact CB-CG 4.44Å; P75-Q78 WeakPolarHBondContact O-CA 3.41Å; P75-Q78 WeakPolarHBondContact O-CB 3.32Å; P75-Q78 PolarHBondContact O-N 3.21Å; P76-Q78 PolarHBondContact O-N 3.39Å
79I97.2Very high95.3Very high11 Ų1154.5 Ų54.56%0.05627%0.269CS..EExtended strand (participates in β ladder)trans-111.9128.2173.8-57.6172.1000108.1A9 L71 I74 P76 V81A9-I79 HydrophobicContact CB-CG1 4.19Å; A9-I79 HydrophobicContact CB-CG2 4.37Å; A9-I79 WeakPolarHBondContact O-CA 3.37Å; L71-I79 HydrophobicContact CB-CD1 4Å; L71-I79 HydrophobicContact CD1-CD1 4.25Å; L71-I79 HydrophobicContact CD1-CG2 4.37Å; L71-I79 HydrophobicContact CD2-CD1 4.06Å; L71-I79 HydrophobicContact CD2-CG1 4.32Å; L71-I79 HydrophobicContact CD2-CG2 4.41Å; L71-I79 HydrophobicContact CG-CD1 4.31Å; I74-I79 HydrophobicContact CB-CD1 4.15Å; I74-I79 HydrophobicContact CB-CG1 4.12Å; I74-I79 HydrophobicContact CG2-CD1 4.2Å; I74-I79 HydrophobicContact CG2-CG1 3.62Å; P76-I79 PolarHBondContact O-N 3.23Å; I79-V81 HydrophobicContact CG2-CG2 3.9Å
80R98Very high95.4Very high126 Ų12649.1 Ų49.148%0.47525%0.246SC..EExtended strand (participates in β ladder)trans-121.4123.4171.4-71.8-72-173.5-124.53.2109.5A9 A10 I11 L295 M299A9-R80 PolarHBondContact O-N 2.91Å; A10-R80 CarbonylContact C-O 3.54Å; A10-R80 WeakPolarHBondContact CA-O 3.15Å; I11-R80 PolarHBondContact N-O 3.38Å; R80-L295 HydrophobicContact CB-CD2 4.43Å; R80-M299 HydrophobicContact CB-CE 4.4Å; R80-M299 HydrophobicContact CB-SD 4.1Å; R80-M299 HydrophobicContact CG-CE 4.22Å; R80-M299 HydrophobicContact CG-CG 3.73Å; R80-M299 HydrophobicContact CG-SD 3.37Å; R80-M299 WeakPolarHBondContact CG-SD 3.21Å
81V98.5Very high95.6Very high5 Ų546.9 Ų46.93%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-120.1118.4177.7-170.20000107.9I11 L13 I79 L104 C106 V108 Q109I11-V81 HydrophobicContact CB-CB 4.37Å; I11-V81 HydrophobicContact CB-CG1 4.01Å; I11-V81 HydrophobicContact CB-CG2 4.13Å; I11-V81 HydrophobicContact CD1-CG2 4.19Å; I11-V81 HydrophobicContact CG2-CG1 3.92Å; I11-V81 WeakPolarHBondContact O-CA 3.44Å; L13-V81 HydrophobicContact CD1-CG1 4.02Å; L13-V81 HydrophobicContact CD2-CG1 4.31Å; L13-V81 HydrophobicContact CG-CG1 4.05Å; I79-V81 HydrophobicContact CG2-CG2 3.9Å; V81-L104 HydrophobicContact CG1-CD1 3.93Å; V81-L104 HydrophobicContact CG2-CD1 4.01Å; V81-C106 VanDerWaalsContact CG2-SG 3.53Å; V81-V108 HydrophobicContact CB-CG2 4.1Å; V81-V108 HydrophobicContact CG1-CB 4.31Å; V81-V108 HydrophobicContact CG1-CG1 4.14Å; V81-V108 HydrophobicContact CG1-CG2 3.72Å; V81-Q109 PolarHBondContact O-N 2.79Å
82V98.5Very high95.7Very high4 Ų447.9 Ų47.92%0.02425%0.254CS..EExtended strand (participates in β ladder)trans-118.3146.1177.2-57.10000111.3I11 D12 L13 Q109 I111 L291 L295I11-V82 PolarHBondContact O-N 2.92Å; D12-V82 HydrophobicContact CB-CG2 4.48Å; L13-V82 PolarHBondContact N-O 2.95Å; V82-Q109 CarbonylContact C-O 3.55Å; V82-Q109 VanDerWaalsContact CA-O 3.24Å; V82-Q109 WeakPolarHBondContact CA-O 3.39Å; V82-I111 HydrophobicContact CB-CD1 4.04Å; V82-I111 HydrophobicContact CB-CG1 4.33Å; V82-I111 HydrophobicContact CB-CG2 4.13Å; V82-I111 HydrophobicContact CG1-CD1 4.46Å; V82-I111 HydrophobicContact CG1-CG2 3.95Å; V82-I111 HydrophobicContact CG2-CD1 4.08Å; V82-L291 HydrophobicContact CG2-CD1 4.49Å; V82-L291 HydrophobicContact CG2-CD2 4.08Å; V82-L291 HydrophobicContact CG2-CG 4.44Å; V82-L295 HydrophobicContact CG1-CD1 4.18Å; V82-L295 HydrophobicContact CG1-CD2 3.66Å; V82-L295 HydrophobicContact CG2-CD1 3.7Å
83A98.3Very high96Very high0 Ų040.7 Ų40.70%022%0.223CC..EExtended strand (participates in β ladder)trans-116.6137.4176.400000110.1L13 L87 V108 Q109 V110 I111L13-A83 HydrophobicContact CB-CB 4.24Å; L13-A83 HydrophobicContact CD1-CB 4.43Å; A83-L87 HydrophobicContact CB-CB 3.98Å; A83-L87 HydrophobicContact CB-CD1 3.44Å; A83-L87 VanDerWaalsContact CB-CD1 3.44Å; A83-L87 HydrophobicContact CB-CG 4.34Å; A83-V108 HydrophobicContact CB-CG1 4.15Å; A83-Q109 PolarHBondContact N-O 3.22Å; A83-V110 HydrophobicContact CB-CB 4.47Å; A83-V110 HydrophobicContact CB-CG2 3.95Å; A83-V110 WeakPolarHBondContact O-CA 3.42Å; A83-I111 PolarHBondContact O-N 3.3Å; A83-I111 VanDerWaalsContact O-N 3.07Å
84T96.6Very high96.4Very high5 Ų536.6 Ų36.63%0.03121%0.212CC..  trans-113.7-153.3-169.775.60000112.3L13 T86 L87 R88 E116 L291L13-T84 PolarHBondContact O-N 2.8Å; T84-T86 PolarHBondContact O-N 3.31Å; T84-T86 VanDerWaalsContact O-N 3.09Å; T84-L87 PolarHBondContact O-N 3.35Å; T84-R88 PolarHBondContact O-N 3.02Å; T84-R88 VanDerWaalsContact O-N 3.12Å; T84-E116 WeakPolarHBondContact CB-OE1 3.38Å; T84-E116 WeakPolarHBondContact CB-OE2 3.25Å; T84-E116 HydrophobicContact CG2-CG 4.42Å; T84-E116 WeakPolarHBondContact CG2-OE1 3.17Å; T84-L291 HydrophobicContact CG2-CD2 3.95Å
85A96.1Very high96.5Very high5 Ų541.2 Ų41.24%0.04124%0.237CC..Hα-helixtrans-43-48.7-166.400000115.8L87 R88 L89 A142A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 2.84Å; A85-R88 WeakPolarHBondContact O-CB 3.47Å; A85-R88 PolarHBondContact O-N 3.27Å; A85-R88 VanDerWaalsContact O-N 3.17Å; A85-L89 WeakPolarHBondContact O-CG 3.27Å; A85-L89 PolarHBondContact O-N 3.36Å; A85-L89 VanDerWaalsContact O-N 3.1Å; A85-A142 HydrophobicContact CB-CB 3.88Å
86T94.7Very high96.8Very high1 Ų139.2 Ų39.21%0.00622%0.224CC..Hα-helixtrans-60.6-40.6-178.3-66.90000113S15 L42 A43 L46 L52 T84 L89 A90S15-T86 VanDerWaalsContact CA-OG1 3.26Å; S15-T86 WeakPolarHBondContact CA-OG1 3.42Å; S15-T86 WeakPolarHBondContact CB-OG1 3.4Å; S15-T86 PolarHBondContact OG-OG1 2.94Å; L42-T86 HydrophobicContact CB-CG2 4.05Å; L42-T86 HydrophobicContact CD2-CG2 3.76Å; L42-T86 HydrophobicContact CG-CG2 3.69Å; A43-T86 WeakPolarHBondContact CB-OG1 3.28Å; L46-T86 HydrophobicContact CD1-CG2 3.9Å; L46-T86 HydrophobicContact CG-CG2 4.19Å; L52-T86 HydrophobicContact CD2-CG2 3.97Å; T84-T86 PolarHBondContact O-N 3.31Å; T84-T86 VanDerWaalsContact O-N 3.09Å; T86-L89 PolarHBondContact O-N 3.34Å; T86-A90 WeakPolarHBondContact O-CB 3.42Å; T86-A90 PolarHBondContact O-N 2.94Å
87L97.4Very high97Very high4 Ų436.5 Ų36.52%0.02121%0.205CC..Hα-helixtrans-82.9-16179.4-73169.3000112.7L13 L42 L52 A83 T84 A85 A93 F96 V110L13-L87 HydrophobicContact CB-CD1 4.29Å; L13-L87 HydrophobicContact CD1-CD1 4.45Å; L42-L87 HydrophobicContact CD2-CD1 4.13Å; L42-L87 HydrophobicContact CD2-CD2 4.13Å; L42-L87 HydrophobicContact CD2-CG 3.86Å; L52-L87 HydrophobicContact CD1-CD2 3.83Å; A83-L87 HydrophobicContact CB-CB 3.98Å; A83-L87 HydrophobicContact CB-CD1 3.44Å; A83-L87 VanDerWaalsContact CB-CD1 3.44Å; A83-L87 HydrophobicContact CB-CG 4.34Å; T84-L87 PolarHBondContact O-N 3.35Å; A85-L87 VanDerWaalsContact C-N 3.33Å; A85-L87 PolarHBondContact O-N 2.84Å; L87-A93 HydrophobicContact CD2-CB 4.08Å; L87-A93 VanDerWaalsContact O-CB 3.28Å; L87-A93 WeakPolarHBondContact O-CB 3.5Å; L87-F96 HydrophobicContact CD1-CD1 3.75Å; L87-F96 HydrophobicContact CD1-CE1 3.76Å; L87-F96 HydrophobicContact CD2-CB 4.14Å; L87-F96 HydrophobicContact CD2-CD1 3.6Å; L87-F96 HydrophobicContact CD2-CE1 4.31Å; L87-F96 HydrophobicContact CD2-CG 3.99Å; L87-F96 HydrophobicContact CG-CD1 4.34Å; L87-V110 HydrophobicContact CB-CG2 4.48Å
88R96.8Very high97.3Very high75 Ų7535 Ų3528%0.28320%0.198SC..Hα-helixtrans-67.8-38.8164.4-70-166.4-75.8-86.96.7111.9T84 A85 V110 I111 E116T84-R88 PolarHBondContact O-N 3.02Å; T84-R88 VanDerWaalsContact O-N 3.12Å; A85-R88 WeakPolarHBondContact O-CB 3.47Å; A85-R88 PolarHBondContact O-N 3.27Å; A85-R88 VanDerWaalsContact O-N 3.17Å; R88-V110 HydrophobicContact CB-CG1 4.44Å; R88-V110 HydrophobicContact CG-CG1 3.65Å; R88-I111 WeakPolarHBondContact CD-O 3.28Å; R88-I111 PolarHBondContact NH1-O 3.04Å; R88-E116 IonicContact CZ-OE2 3.44Å; R88-E116 VanDerWaalsContact CZ-OE2 3.31Å; R88-E116 IonicContact NH1-OE2 3.75Å; R88-E116 PolarHBondContact NH1-OE2 3.45Å; R88-E116 IonicContact NH2-OE2 2.82Å; R88-E116 PolarHBondContact NH2-OE2 3.47Å
89L93.7Very high97.4Very high77 Ų7737.1 Ų37.140%0.40321%0.207SC..Hα-helixtrans-81.4-33.5-176.8-66.2173000112.8L46 N50 A85 T86 V91L46-L89 HydrophobicContact CD1-CB 4.47Å; N50-L89 WeakPolarHBondContact CB-O 3.35Å; A85-L89 WeakPolarHBondContact O-CG 3.27Å; A85-L89 PolarHBondContact O-N 3.36Å; A85-L89 VanDerWaalsContact O-N 3.1Å; T86-L89 PolarHBondContact O-N 3.34Å; L89-V91 PolarHBondContact O-N 2.92Å
90A96.3Very high97.5Very high9 Ų936.6 Ų36.67%0.07420%0.204CC..  trans-65.7120.6-169.800000113.1L46 N50 L52 T86 N92 A93L46-A90 HydrophobicContact CD2-CB 3.93Å; N50-A90 CarbonylContact O-C 3.5Å; N50-A90 WeakPolarHBondContact O-CA 3.4Å; L52-A90 HydrophobicContact CD1-CB 3.7Å; L52-A90 HydrophobicContact CG-CB 3.75Å; T86-A90 WeakPolarHBondContact O-CB 3.42Å; T86-A90 PolarHBondContact O-N 2.94Å; A90-N92 PolarHBondContact O-N 2.98Å; A90-A93 HydrophobicContact CB-CB 4.04Å; A90-A93 VanDerWaalsContact O-CB 3.27Å; A90-A93 WeakPolarHBondContact O-CB 3.3Å; A90-A93 PolarHBondContact O-N 3.39Å; A90-A93 VanDerWaalsContact O-N 3.08Å
91V97.5Very high97.5Very high108 Ų10834 Ų3466%0.65520%0.197SC*.THydrogen-bonded Turntrans-65.8-26.7179.4-610000112.7N50 A51 L89N50-V91 HydrophobicContact CB-CG1 4.33Å; N50-V91 PolarHBondContact O-N 3.18Å; A51-V91 HydrophobicContact CB-CG2 4Å; L89-V91 PolarHBondContact O-N 2.92Å
92N97.6Very high97.5Very high31 Ų3140.1 Ų40.117%0.16623%0.225CC..THydrogen-bonded Turntrans-103.924175.364.7-24.9000112.9L52 A90 G94 D95L52-N92 PolarHBondContact N-OD1 3.3Å; L52-N92 PolarHBondContact O-ND2 3.36Å; A90-N92 PolarHBondContact O-N 2.98Å; N92-G94 PolarHBondContact O-N 3.39Å; N92-D95 PolarHBondContact O-N 2.89Å
93A97.9Very high97.5Very high11 Ų1141.3 Ų41.39%0.09123%0.231CC..Hα-helixtrans-55.2-33.2175.800000112.8L87 A90 D95 F96 I97L87-A93 HydrophobicContact CD2-CB 4.08Å; L87-A93 VanDerWaalsContact O-CB 3.28Å; L87-A93 WeakPolarHBondContact O-CB 3.5Å; A90-A93 HydrophobicContact CB-CB 4.04Å; A90-A93 VanDerWaalsContact O-CB 3.27Å; A90-A93 WeakPolarHBondContact O-CB 3.3Å; A90-A93 PolarHBondContact O-N 3.39Å; A90-A93 VanDerWaalsContact O-N 3.08Å; A93-D95 VanDerWaalsContact C-N 3.31Å; A93-D95 PolarHBondContact O-N 3.44Å; A93-F96 PolarHBondContact O-N 3.31Å; A93-I97 HydrophobicContact CB-CD1 4.07Å; A93-I97 WeakPolarHBondContact O-CB 3.4Å; A93-I97 VanDerWaalsContact O-CD1 3.32Å; A93-I97 WeakPolarHBondContact O-CD1 3.18Å; A93-I97 WeakPolarHBondContact O-CG1 3.32Å; A93-I97 PolarHBondContact O-N 2.68Å
94G98.2Very high97.4Very high49 Ų4942 Ų4251%0.50524%0.235SC..Hα-helixtrans-57-41.7179.300000113.2N92 I97 A98N92-G94 PolarHBondContact O-N 3.39Å; G94-I97 PolarHBondContact O-N 2.95Å; G94-A98 WeakPolarHBondContact O-CB 3.4Å; G94-A98 PolarHBondContact O-N 3.22Å
95D98.1Very high97.4Very high106 Ų10644.5 Ų44.557%0.56726%0.262SS*.Hα-helixtrans-66-44.2178.7-60.9-26.1000110.9N92 A93 K99N92-D95 PolarHBondContact O-N 2.89Å; A93-D95 VanDerWaalsContact C-N 3.31Å; A93-D95 PolarHBondContact O-N 3.44Å; D95-K99 PolarHBondContact O-N 2.91Å
96F98.6Very high97.4Very high0 Ų044.5 Ų44.50%026%0.262CS..Hα-helixtrans-60.2-47.9175.5-177.2-91.4000111.8L13 F18 L42 M57 W61 L64 L87 A93 A100L13-F96 HydrophobicContact CD1-CE1 4.26Å; F18-F96 AromaticContact CE2-CZ 3.95Å; F18-F96 HydrophobicContact CE2-CZ 3.95Å; F18-F96 HydrophobicContact CZ-CE1 4.28Å; F18-F96 AromaticContact CZ-CZ 3.72Å; F18-F96 HydrophobicContact CZ-CZ 3.72Å; L42-F96 HydrophobicContact CD1-CE2 4.2Å; M57-F96 HydrophobicContact CB-CD2 3.94Å; M57-F96 HydrophobicContact CG-CB 4.47Å; M57-F96 HydrophobicContact CG-CD2 3.88Å; M57-F96 HydrophobicContact SD-CB 4.22Å; W61-F96 AromaticContact CD1-CE2 3.8Å; W61-F96 AromaticContact CE2-CD2 3.98Å; W61-F96 HydrophobicContact CG-CE2 4.5Å; W61-F96 HydrophobicContact CZ2-CD2 4.43Å; W61-F96 AromaticContact NE1-CD2 3.47Å; W61-F96 AromaticContact NE1-CE2 3.71Å; W61-F96 AromaticContact NE1-CG 3.98Å; W61-F96 PolarHBondContact NE1-O 3.3Å; L64-F96 HydrophobicContact CD1-CZ 4.42Å; L87-F96 HydrophobicContact CD1-CD1 3.75Å; L87-F96 HydrophobicContact CD1-CE1 3.76Å; L87-F96 HydrophobicContact CD2-CB 4.14Å; L87-F96 HydrophobicContact CD2-CD1 3.6Å; L87-F96 HydrophobicContact CD2-CE1 4.31Å; L87-F96 HydrophobicContact CD2-CG 3.99Å; L87-F96 HydrophobicContact CG-CD1 4.34Å; A93-F96 PolarHBondContact O-N 3.31Å; F96-A100 HydrophobicContact CE1-CB 4.35Å; F96-A100 VanDerWaalsContact O-CB 3.28Å; F96-A100 WeakPolarHBondContact O-CB 3.28Å; F96-A100 PolarHBondContact O-N 3.06Å
97I98.7Very high97.6Very high26 Ų2649.2 Ų49.213%0.13329%0.292CS..Hα-helixtrans-67-44.7-176.4-69.8160.5000111.2A93 G94 K99 A100 Q101 V108 V110A93-I97 HydrophobicContact CB-CD1 4.07Å; A93-I97 WeakPolarHBondContact O-CB 3.4Å; A93-I97 VanDerWaalsContact O-CD1 3.32Å; A93-I97 WeakPolarHBondContact O-CD1 3.18Å; A93-I97 WeakPolarHBondContact O-CG1 3.32Å; A93-I97 PolarHBondContact O-N 2.68Å; G94-I97 PolarHBondContact O-N 2.95Å; I97-K99 VanDerWaalsContact C-N 3.31Å; I97-K99 PolarHBondContact O-N 2.81Å; I97-A100 WeakPolarHBondContact O-CB 3.27Å; I97-A100 PolarHBondContact O-N 2.81Å; I97-A100 VanDerWaalsContact O-N 3.16Å; I97-Q101 HydrophobicContact CG2-CG 4.24Å; I97-Q101 VanDerWaalsContact O-CG 3.31Å; I97-Q101 WeakPolarHBondContact O-CG 3.4Å; I97-Q101 PolarHBondContact O-N 3.46Å; I97-V108 HydrophobicContact CG2-CB 4.26Å; I97-V110 HydrophobicContact CD1-CG2 3.3Å; I97-V110 HydrophobicContact CG1-CG2 4.32Å
98A98.6Very high97.6Very high58 Ų5849.5 Ų49.548%0.47929%0.294SS..Hα-helixtrans-56.1-48.1179.600000111.1G94 Q101 E102G94-A98 WeakPolarHBondContact O-CB 3.4Å; G94-A98 PolarHBondContact O-N 3.22Å; A98-Q101 PolarHBondContact O-N 2.92Å; A98-E102 PolarHBondContact O-N 3.13Å; A98-E102 VanDerWaalsContact O-N 3.16Å
99K98.6Very high97.7Very high68 Ų6851.3 Ų51.330%0.29631%0.306SS..Hα-helixtrans-70.9-34.8177.8-170.457.9167.4-176.30112.9W61 D95 I97 E102 I103W61-K99 HydrophobicContact CD2-CB 4.28Å; W61-K99 HydrophobicContact CD2-CG 3.85Å; W61-K99 HydrophobicContact CE3-CG 4.38Å; W61-K99 HydrophobicContact CG-CG 4.11Å; W61-K99 HydrophobicContact CZ2-CB 3.75Å; W61-K99 HydrophobicContact CZ2-CG 4.08Å; D95-K99 PolarHBondContact O-N 2.91Å; I97-K99 VanDerWaalsContact C-N 3.31Å; I97-K99 PolarHBondContact O-N 2.81Å; K99-E102 WeakPolarHBondContact CD-OE2 3.32Å; K99-E102 IonicContact NZ-OE1 3.6Å; K99-E102 PolarHBondContact NZ-OE1 3.05Å; K99-E102 IonicContact NZ-OE2 2.63Å; K99-E102 PolarHBondContact NZ-OE2 3.39Å; K99-E102 PolarHBondContact O-N 3.42Å; K99-I103 HydrophobicContact CG-CD1 4.08Å; K99-I103 WeakPolarHBondContact O-CD1 3.19Å; K99-I103 VanDerWaalsContact O-CG1 3.27Å; K99-I103 WeakPolarHBondContact O-CG1 3.35Å; K99-I103 PolarHBondContact O-N 3.35Å
100A98.7Very high97.9Very high0 Ų050.2 Ų50.20%030%0.302CS..Hα-helixtrans-60.4-43.7173.600000112.2L64 F96 I97 I103 L104 V108L64-A100 HydrophobicContact CD1-CB 3.31Å; F96-A100 HydrophobicContact CE1-CB 4.35Å; F96-A100 VanDerWaalsContact O-CB 3.28Å; F96-A100 WeakPolarHBondContact O-CB 3.28Å; F96-A100 PolarHBondContact O-N 3.06Å; I97-A100 WeakPolarHBondContact O-CB 3.27Å; I97-A100 PolarHBondContact O-N 2.81Å; I97-A100 VanDerWaalsContact O-N 3.16Å; A100-I103 PolarHBondContact O-N 2.94Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 VanDerWaalsContact O-CG 3.32Å; A100-L104 WeakPolarHBondContact O-CG 3.16Å; A100-L104 PolarHBondContact O-N 2.9Å; A100-V108 HydrophobicContact CB-CG2 4.09Å
101Q98.6Very high98Very high72 Ų7250 Ų5034%0.33630%0.3SS..Hα-helixtrans-66.5-39177.6-67.5-178.3143.400112.1I97 A98 I103 L104 G105 V108I97-Q101 HydrophobicContact CG2-CG 4.24Å; I97-Q101 VanDerWaalsContact O-CG 3.31Å; I97-Q101 WeakPolarHBondContact O-CG 3.4Å; I97-Q101 PolarHBondContact O-N 3.46Å; A98-Q101 PolarHBondContact O-N 2.92Å; Q101-I103 VanDerWaalsContact C-N 3.35Å; Q101-L104 PolarHBondContact O-N 3.39Å; Q101-G105 WeakPolarHBondContact O-CA 3.26Å; Q101-G105 PolarHBondContact O-N 3.37Å; Q101-V108 HydrophobicContact CG-CB 3.95Å; Q101-V108 HydrophobicContact CG-CG2 3.8Å
102E98.1Very high98Very high133 Ų13347.5 Ų47.562%0.62129%0.287SS*.Hα-helixtrans-59.9-45.3173.4-172.9-162140.700111.3A98 K99A98-E102 PolarHBondContact O-N 3.13Å; A98-E102 VanDerWaalsContact O-N 3.16Å; K99-E102 WeakPolarHBondContact CD-OE2 3.32Å; K99-E102 IonicContact NZ-OE1 3.6Å; K99-E102 PolarHBondContact NZ-OE1 3.05Å; K99-E102 IonicContact NZ-OE2 2.63Å; K99-E102 PolarHBondContact NZ-OE2 3.39Å; K99-E102 PolarHBondContact O-N 3.42Å
103I98.2Very high98Very high29 Ų2946.2 Ų46.215%0.14928%0.281CS..Hα-helixtrans-66.1-43-179.6-70.2164.5000111.8W61 L64 R65 A68 K99 A100 Q101W61-I103 HydrophobicContact CB-CD1 3.68Å; W61-I103 HydrophobicContact CG-CD1 4.01Å; L64-I103 HydrophobicContact CB-CG2 3.87Å; R65-I103 HydrophobicContact CB-CG2 4.32Å; R65-I103 HydrophobicContact CG-CD1 4.16Å; R65-I103 HydrophobicContact CG-CG1 4.27Å; R65-I103 HydrophobicContact CG-CG2 3.75Å; A68-I103 HydrophobicContact CB-CG2 4.26Å; A68-I103 WeakPolarHBondContact CB-O 2.9Å; K99-I103 HydrophobicContact CG-CD1 4.08Å; K99-I103 WeakPolarHBondContact O-CD1 3.19Å; K99-I103 VanDerWaalsContact O-CG1 3.27Å; K99-I103 WeakPolarHBondContact O-CG1 3.35Å; K99-I103 PolarHBondContact O-N 3.35Å; A100-I103 PolarHBondContact O-N 2.94Å; Q101-I103 VanDerWaalsContact C-N 3.35Å
104L97.6Very high98Very high14 Ų1450.6 Ų50.67%0.07330%0.3CS..Hα-helixtrans-86.1-20-174.3-64.2171.3000113.3I11 L64 F67 A68 L71 V81 A100 Q101 C106 V108I11-L104 HydrophobicContact CD1-CD2 4.35Å; L64-L104 HydrophobicContact CB-CD2 4.23Å; L64-L104 HydrophobicContact CB-CG 4.42Å; L64-L104 HydrophobicContact CD1-CD1 4.27Å; L64-L104 HydrophobicContact CD2-CD1 4.06Å; L64-L104 HydrophobicContact CD2-CD2 4.31Å; F67-L104 HydrophobicContact CB-CD2 4.4Å; A68-L104 HydrophobicContact CB-CD2 4.38Å; L71-L104 HydrophobicContact CD1-CD2 3.87Å; V81-L104 HydrophobicContact CG1-CD1 3.93Å; V81-L104 HydrophobicContact CG2-CD1 4.01Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 VanDerWaalsContact O-CG 3.32Å; A100-L104 WeakPolarHBondContact O-CG 3.16Å; A100-L104 PolarHBondContact O-N 2.9Å; Q101-L104 PolarHBondContact O-N 3.39Å; L104-C106 PolarHBondContact O-N 3.22Å; L104-V108 HydrophobicContact CD1-CG2 4.02Å
105G95.9Very high98Very high58 Ų5851 Ų5160%0.59829%0.289SS*.THydrogen-bonded Turntrans68.715.9-174.600000114Q101Q101-G105 WeakPolarHBondContact O-CA 3.26Å; Q101-G105 PolarHBondContact O-N 3.37Å
106C96.6Very high98Very high6 Ų646.6 Ų46.64%0.04127%0.265CS..SBendtrans-143.8159.9179.667.80000111.6V81 L104V81-C106 VanDerWaalsContact CG2-SG 3.53Å; L104-C106 PolarHBondContact O-N 3.22Å
107P97.6Very high97.9Very high100 Ų10046.6 Ų46.665%0.64927%0.265SS*.  trans-62.3146.1178.3-22.134000112.8
108V98.4Very high97.9Very high9 Ų948.5 Ų48.56%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-114.5116.7171.1173.50000107.5L13 V81 A83 I97 A100 Q101 L104L13-V108 HydrophobicContact CD1-CG1 3.71Å; V81-V108 HydrophobicContact CB-CG2 4.1Å; V81-V108 HydrophobicContact CG1-CB 4.31Å; V81-V108 HydrophobicContact CG1-CG1 4.14Å; V81-V108 HydrophobicContact CG1-CG2 3.72Å; A83-V108 HydrophobicContact CB-CG1 4.15Å; I97-V108 HydrophobicContact CG2-CB 4.26Å; A100-V108 HydrophobicContact CB-CG2 4.09Å; Q101-V108 HydrophobicContact CG-CB 3.95Å; Q101-V108 HydrophobicContact CG-CG2 3.8Å; L104-V108 HydrophobicContact CD1-CG2 4.02Å
109Q98.2Very high97.8Very high114 Ų11446.2 Ų46.253%0.53325%0.25SC..EExtended strand (participates in β ladder)trans-98.5119.7-177.6-175.3179.5-4.100110.6V81 V82 A83 I111V81-Q109 PolarHBondContact O-N 2.79Å; V82-Q109 CarbonylContact C-O 3.55Å; V82-Q109 VanDerWaalsContact CA-O 3.24Å; V82-Q109 WeakPolarHBondContact CA-O 3.39Å; A83-Q109 PolarHBondContact N-O 3.22Å; Q109-I111 HydrophobicContact CG-CG2 3.96Å; Q109-I111 PolarHBondContact O-N 3.38Å
110V98.3Very high97.8Very high54 Ų5443 Ų4333%0.32724%0.236SC..EExtended strand (participates in β ladder)trans-77.2113.7166-175.20000107.9A83 L87 R88 I97A83-V110 HydrophobicContact CB-CB 4.47Å; A83-V110 HydrophobicContact CB-CG2 3.95Å; A83-V110 WeakPolarHBondContact O-CA 3.42Å; L87-V110 HydrophobicContact CB-CG2 4.48Å; R88-V110 HydrophobicContact CB-CG1 4.44Å; R88-V110 HydrophobicContact CG-CG1 3.65Å; I97-V110 HydrophobicContact CD1-CG2 3.3Å; I97-V110 HydrophobicContact CG1-CG2 4.32Å
111I98.3Very high97.7Very high4 Ų443 Ų432%0.02124%0.236CC..  trans-94.4148.5-177.658.9175000110.9V82 A83 R88 Q109 E115 E116 L119 L291V82-I111 HydrophobicContact CB-CD1 4.04Å; V82-I111 HydrophobicContact CB-CG1 4.33Å; V82-I111 HydrophobicContact CB-CG2 4.13Å; V82-I111 HydrophobicContact CG1-CD1 4.46Å; V82-I111 HydrophobicContact CG1-CG2 3.95Å; V82-I111 HydrophobicContact CG2-CD1 4.08Å; A83-I111 PolarHBondContact O-N 3.3Å; A83-I111 VanDerWaalsContact O-N 3.07Å; R88-I111 WeakPolarHBondContact CD-O 3.28Å; R88-I111 PolarHBondContact NH1-O 3.04Å; Q109-I111 HydrophobicContact CG-CG2 3.96Å; Q109-I111 PolarHBondContact O-N 3.38Å; I111-E115 HydrophobicContact CB-CB 4.25Å; I111-E115 HydrophobicContact CB-CG 3.97Å; I111-E115 HydrophobicContact CG2-CG 4.1Å; I111-E116 HydrophobicContact CD1-CB 3.66Å; I111-E116 HydrophobicContact CD1-CG 4.25Å; I111-E116 HydrophobicContact CG1-CB 4.19Å; I111-L119 HydrophobicContact CD1-CD1 4.02Å; I111-L291 HydrophobicContact CD1-CD1 4.27Å
112S98Very high97.5Very high55 Ų5542.3 Ų42.339%0.38523%0.233SC..  trans-64.4163.8171.588.20000110.6E114 E115 E116S112-E114 VanDerWaalsContact C-N 3.32Å; S112-E114 WeakPolarHBondContact CB-OE2 3.4Å; S112-E114 PolarHBondContact OG-N 2.97Å; S112-E114 PolarHBondContact OG-OE2 3.09Å; S112-E115 PolarHBondContact O-N 3.45Å; S112-E115 PolarHBondContact OG-N 2.88Å; S112-E115 VanDerWaalsContact OG-N 3.15Å; S112-E116 WeakPolarHBondContact O-CB 3.36Å; S112-E116 PolarHBondContact O-N 3.1Å
113G97.5Very high97.4Very high5 Ų536 Ų365%0.05220%0.203CC..Hα-helixtrans-64.2-38.2176.800000112.8E115 E116 A117 S159G113-E115 VanDerWaalsContact C-N 3.35Å; G113-E116 WeakPolarHBondContact O-CB 3.24Å; G113-E116 PolarHBondContact O-N 2.99Å; G113-A117 WeakPolarHBondContact O-CB 3.46Å; G113-A117 PolarHBondContact O-N 3.23Å; G113-S159 WeakPolarHBondContact CA-OG 3.39Å; G113-S159 WeakPolarHBondContact O-CB 3.44Å
114E97.2Very high97.2Very high103 Ų10334.6 Ų34.648%0.48120%0.196SC..Hα-helixtrans-66.7-37.9176.6-57.176.8-169.200111.5S112 A117 R118S112-E114 VanDerWaalsContact C-N 3.32Å; S112-E114 WeakPolarHBondContact CB-OE2 3.4Å; S112-E114 PolarHBondContact OG-N 2.97Å; S112-E114 PolarHBondContact OG-OE2 3.09Å; E114-A117 PolarHBondContact O-N 3.39Å; E114-R118 WeakPolarHBondContact O-CB 3.45Å; E114-R118 PolarHBondContact O-N 3.04Å
115E97.7Very high97Very high58 Ų5834 Ų3427%0.27119%0.193SC..Hα-helixtrans-68.5-39.9176.2178.261.4-17700111.6I111 S112 G113 R118 L119I111-E115 HydrophobicContact CB-CB 4.25Å; I111-E115 HydrophobicContact CB-CG 3.97Å; I111-E115 HydrophobicContact CG2-CG 4.1Å; S112-E115 PolarHBondContact O-N 3.45Å; S112-E115 PolarHBondContact OG-N 2.88Å; S112-E115 VanDerWaalsContact OG-N 3.15Å; G113-E115 VanDerWaalsContact C-N 3.35Å; E115-R118 VanDerWaalsContact CD-NH2 3.28Å; E115-R118 PolarHBondContact O-N 3.18Å; E115-R118 IonicContact OE1-CZ 3.63Å; E115-R118 IonicContact OE1-NE 3.97Å; E115-R118 IonicContact OE1-NH2 3.9Å; E115-R118 PolarHBondContact OE1-NH2 3.27Å; E115-R118 IonicContact OE2-CZ 3.64Å; E115-R118 IonicContact OE2-NE 3.98Å; E115-R118 PolarHBondContact OE2-NE 3.29Å; E115-R118 IonicContact OE2-NH2 3.83Å; E115-R118 PolarHBondContact OE2-NH2 2.9Å; E115-L119 HydrophobicContact CG-CD1 4.26Å; E115-L119 WeakPolarHBondContact O-CG 3.3Å; E115-L119 PolarHBondContact O-N 3.08Å
116E97.9Very high96.8Very high12 Ų1231.7 Ų31.76%0.05617%0.167CC..Hα-helixtrans-58.4-50.1170.6-179.7170.5-161.100111.1T84 R88 I111 S112 G113 R118 L119 I120 E145 L291T84-E116 WeakPolarHBondContact CB-OE1 3.38Å; T84-E116 WeakPolarHBondContact CB-OE2 3.25Å; T84-E116 HydrophobicContact CG2-CG 4.42Å; T84-E116 WeakPolarHBondContact CG2-OE1 3.17Å; R88-E116 IonicContact CZ-OE2 3.44Å; R88-E116 VanDerWaalsContact CZ-OE2 3.31Å; R88-E116 IonicContact NH1-OE2 3.75Å; R88-E116 PolarHBondContact NH1-OE2 3.45Å; R88-E116 IonicContact NH2-OE2 2.82Å; R88-E116 PolarHBondContact NH2-OE2 3.47Å; I111-E116 HydrophobicContact CD1-CB 3.66Å; I111-E116 HydrophobicContact CD1-CG 4.25Å; I111-E116 HydrophobicContact CG1-CB 4.19Å; S112-E116 WeakPolarHBondContact O-CB 3.36Å; S112-E116 PolarHBondContact O-N 3.1Å; G113-E116 WeakPolarHBondContact O-CB 3.24Å; G113-E116 PolarHBondContact O-N 2.99Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 3.34Å; E116-L119 PolarHBondContact O-N 2.9Å; E116-I120 HydrophobicContact CG-CD1 3.88Å; E116-I120 WeakPolarHBondContact O-CD1 3.48Å; E116-I120 VanDerWaalsContact O-CG1 3.29Å; E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 3.1Å; E116-E145 HydrophobicContact CG-CG 4.29Å; E116-L291 HydrophobicContact CG-CD2 4.44Å
117A98.1Very high96.6Very high0 Ų031.8 Ų31.80%017%0.167CC..Hα-helixtrans-57.7-44177.200000111.8G113 E114 L119 I120 Y121 E145 V147 L157G113-A117 WeakPolarHBondContact O-CB 3.46Å; G113-A117 PolarHBondContact O-N 3.23Å; E114-A117 PolarHBondContact O-N 3.39Å; A117-L119 PolarHBondContact O-N 3.31Å; A117-I120 PolarHBondContact O-N 3.49Å; A117-Y121 PolarHBondContact O-N 2.71Å; A117-E145 HydrophobicContact CB-CB 3.85Å; A117-E145 HydrophobicContact CB-CG 3.73Å; A117-V147 HydrophobicContact CB-CG2 3.6Å; A117-V147 WeakPolarHBondContact O-CG2 3.34Å; A117-L157 HydrophobicContact CB-CD2 3.9Å
118R97.6Very high96.4Very high66 Ų6627.3 Ų27.325%0.24914%0.138CC..Hα-helixtrans-62.4-44.9178.7-169.1-168.164.769.53.8111.4E114 E115 E116 Y121 Q122 L157E114-R118 WeakPolarHBondContact O-CB 3.45Å; E114-R118 PolarHBondContact O-N 3.04Å; E115-R118 VanDerWaalsContact CD-NH2 3.28Å; E115-R118 PolarHBondContact O-N 3.18Å; E115-R118 IonicContact OE1-CZ 3.63Å; E115-R118 IonicContact OE1-NE 3.97Å; E115-R118 IonicContact OE1-NH2 3.9Å; E115-R118 PolarHBondContact OE1-NH2 3.27Å; E115-R118 IonicContact OE2-CZ 3.64Å; E115-R118 IonicContact OE2-NE 3.98Å; E115-R118 PolarHBondContact OE2-NE 3.29Å; E115-R118 IonicContact OE2-NH2 3.83Å; E115-R118 PolarHBondContact OE2-NH2 2.9Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 3.34Å; R118-Y121 PolarHBondContact O-N 3.02Å; R118-Q122 WeakPolarHBondContact O-CG 3.44Å; R118-Q122 PolarHBondContact O-N 3.15Å; R118-L157 HydrophobicContact CB-CD1 4.17Å; R118-L157 HydrophobicContact CB-CD2 3.88Å; R118-L157 HydrophobicContact CG-CD1 4.32Å
119L97.3Very high96Very high10 Ų1027.7 Ų27.75%0.05214%0.144CC..Hα-helixtrans-66.8-40.4177.7-71.6166.1000111.8I111 E115 E116 A117 Y121 Q122 G123 L291 G294 L295I111-L119 HydrophobicContact CD1-CD1 4.02Å; E115-L119 HydrophobicContact CG-CD1 4.26Å; E115-L119 WeakPolarHBondContact O-CG 3.3Å; E115-L119 PolarHBondContact O-N 3.08Å; E116-L119 PolarHBondContact O-N 2.9Å; A117-L119 PolarHBondContact O-N 3.31Å; L119-Y121 VanDerWaalsContact C-N 3.35Å; L119-Y121 PolarHBondContact O-N 3.44Å; L119-Q122 PolarHBondContact O-N 3.14Å; L119-G123 PolarHBondContact O-N 3.09Å; L119-L291 HydrophobicContact CB-CD1 3.58Å; L119-L291 HydrophobicContact CD1-CD1 3.94Å; L119-L291 HydrophobicContact CG-CD1 4.43Å; L119-G294 WeakPolarHBondContact O-CA 3.34Å; L119-L295 HydrophobicContact CD1-CD2 3.82Å; L119-L295 HydrophobicContact CD2-CD2 4.23Å
120I98Very high95.5Very high1 Ų124 Ų241%0.00514%0.137CC..Hα-helixtrans-57-50.5173.1-70.3160.6000109.9E116 A117 Q122 G123 V124 V136 D138 E145 A211 L291E116-I120 HydrophobicContact CG-CD1 3.88Å; E116-I120 WeakPolarHBondContact O-CD1 3.48Å; E116-I120 VanDerWaalsContact O-CG1 3.29Å; E116-I120 WeakPolarHBondContact O-CG1 3.38Å; E116-I120 PolarHBondContact O-N 3.1Å; A117-I120 PolarHBondContact O-N 3.49Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 2.93Å; I120-G123 PolarHBondContact O-N 3.17Å; I120-G123 VanDerWaalsContact O-N 3.11Å; I120-V124 WeakPolarHBondContact O-CG2 3.47Å; I120-V124 PolarHBondContact O-N 2.82Å; I120-V136 HydrophobicContact CG2-CG1 3.84Å; I120-D138 HydrophobicContact CD1-CB 3.93Å; I120-D138 WeakPolarHBondContact CD1-OD2 3.4Å; I120-D138 HydrophobicContact CG2-CB 4.12Å; I120-E145 HydrophobicContact CD1-CB 3.98Å; I120-E145 HydrophobicContact CD1-CG 3.93Å; I120-A211 HydrophobicContact CG2-CB 4.19Å; I120-L291 HydrophobicContact CG1-CB 3.85Å
121Y97.1Very high95Very high0 Ų023.1 Ų23.10%014%0.135CC..Hα-helixtrans-59.5-41.3177.9-175-83.3000112.1A117 R118 L119 G123 V124 A125 R134 V136 V147 G149 T150 G151 T154A117-Y121 PolarHBondContact O-N 2.71Å; R118-Y121 PolarHBondContact O-N 3.02Å; L119-Y121 VanDerWaalsContact C-N 3.35Å; L119-Y121 PolarHBondContact O-N 3.44Å; Y121-G123 VanDerWaalsContact C-N 3.34Å; Y121-G123 PolarHBondContact O-N 2.78Å; Y121-V124 PolarHBondContact O-N 2.95Å; Y121-A125 HydrophobicContact CD1-CB 4.44Å; Y121-A125 HydrophobicContact CE1-CB 4.19Å; Y121-A125 VanDerWaalsContact O-CB 3.3Å; Y121-A125 WeakPolarHBondContact O-CB 3.46Å; Y121-A125 PolarHBondContact O-N 3.45Å; Y121-R134 HydrophobicContact CE2-CB 4.38Å; Y121-V136 HydrophobicContact CD2-CB 4.21Å; Y121-V136 HydrophobicContact CD2-CG2 3.45Å; Y121-V136 VanDerWaalsContact CD2-CG2 3.45Å; Y121-V136 HydrophobicContact CE2-CG2 3.89Å; Y121-V136 HydrophobicContact CG-CG2 4.37Å; Y121-V147 HydrophobicContact CD2-CB 3.91Å; Y121-V147 HydrophobicContact CD2-CG1 3.45Å; Y121-V147 VanDerWaalsContact CD2-CG1 3.45Å; Y121-V147 HydrophobicContact CE2-CG1 4.32Å; Y121-V147 HydrophobicContact CG-CB 4.43Å; Y121-V147 HydrophobicContact CG-CG1 3.74Å; Y121-G149 WeakPolarHBondContact OH-CA 3.31Å; Y121-G149 PolarHBondContact OH-O 3.31Å; Y121-T150 PolarHBondContact OH-N 2.89Å; Y121-G151 VanDerWaalsContact CE1-O 3.22Å; Y121-G151 WeakPolarHBondContact CE1-O 3.24Å; Y121-G151 PolarHBondContact OH-O 3.27Å; Y121-T154 HydrophobicContact CD1-CG2 3.45Å; Y121-T154 VanDerWaalsContact CD1-CG2 3.45Å; Y121-T154 HydrophobicContact CD2-CG2 4.33Å; Y121-T154 HydrophobicContact CE1-CG2 4.07Å; Y121-T154 HydrophobicContact CG-CG2 3.64Å
122Q94.5Very high94.6Very high57 Ų5725.3 Ų25.327%0.26615%0.147SC..Hα-helixtrans-61.4-40.5175-76.1-174.4-3700112.7R118 L119 I120 A125 H126R118-Q122 WeakPolarHBondContact O-CG 3.44Å; R118-Q122 PolarHBondContact O-N 3.15Å; L119-Q122 PolarHBondContact O-N 3.14Å; I120-Q122 VanDerWaalsContact C-N 3.31Å; I120-Q122 PolarHBondContact O-N 2.93Å; Q122-A125 PolarHBondContact O-N 3.2Å; Q122-H126 PolarHBondContact O-N 2.63Å; Q122-H126 PolarHBondContact O-ND1 2.91Å
123G94.8Very high94.4Very high0 Ų025.4 Ų25.40%014%0.141CC..Hα-helixtrans-62.1-46.2174.600000112L119 I120 Y121 H126 T127 A290 G294L119-G123 PolarHBondContact O-N 3.09Å; I120-G123 PolarHBondContact O-N 3.17Å; I120-G123 VanDerWaalsContact O-N 3.11Å; Y121-G123 VanDerWaalsContact C-N 3.34Å; Y121-G123 PolarHBondContact O-N 2.78Å; G123-H126 PolarHBondContact O-N 3.06Å; G123-T127 WeakPolarHBondContact O-CB 3.4Å; G123-T127 WeakPolarHBondContact O-CG2 3.31Å; G123-T127 PolarHBondContact O-N 3.49Å; G123-T127 PolarHBondContact O-OG1 3.25Å; G123-A290 WeakPolarHBondContact CA-O 3.47Å; G123-G294 VanDerWaalsContact CA-N 3.32Å
124V95.3Very high94.4Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-59.1-47.6174.6173.30000111.2I120 Y121 H126 T127 T128 V136 V209 A211 A287 G289I120-V124 WeakPolarHBondContact O-CG2 3.47Å; I120-V124 PolarHBondContact O-N 2.82Å; Y121-V124 PolarHBondContact O-N 2.95Å; V124-H126 PolarHBondContact O-N 3.11Å; V124-H126 VanDerWaalsContact O-N 3.13Å; V124-T127 PolarHBondContact O-N 3.49Å; V124-T128 HydrophobicContact CG1-CG2 4.4Å; V124-T128 WeakPolarHBondContact O-CB 3.4Å; V124-T128 PolarHBondContact O-N 3.48Å; V124-T128 PolarHBondContact O-OG1 3.4Å; V124-V136 HydrophobicContact CB-CG2 4.15Å; V124-V136 HydrophobicContact CG1-CG2 3.86Å; V124-V136 HydrophobicContact CG2-CG1 3.72Å; V124-V136 HydrophobicContact CG2-CG2 4.19Å; V124-V209 HydrophobicContact CG1-CG2 3.66Å; V124-A211 HydrophobicContact CG2-CB 4.41Å; V124-A287 HydrophobicContact CG2-CB 3.86Å; V124-G289 VanDerWaalsContact CG2-O 3.27Å; V124-G289 WeakPolarHBondContact CG2-O 3.48Å
125A93.2Very high94.4Very high2 Ų220.4 Ų20.42%0.01712%0.116CC..Hα-helixtrans-60.7-24.4-177.600000113.4Y121 Q122 I308Y121-A125 HydrophobicContact CD1-CB 4.44Å; Y121-A125 HydrophobicContact CE1-CB 4.19Å; Y121-A125 VanDerWaalsContact O-CB 3.3Å; Y121-A125 WeakPolarHBondContact O-CB 3.46Å; Y121-A125 PolarHBondContact O-N 3.45Å; Q122-A125 PolarHBondContact O-N 3.2Å; A125-I308 WeakPolarHBondContact O-CD1 3.33Å
126H91.2Very high94.5Very high10 Ų1017.7 Ų17.75%0.04610%0.104CC..Hα-helixtrans-93.3-13.6175-72.895.4000114.4Q122 G123 V124 Y297 V304 R311Q122-H126 PolarHBondContact O-N 2.63Å; Q122-H126 PolarHBondContact O-ND1 2.91Å; G123-H126 PolarHBondContact O-N 3.06Å; V124-H126 PolarHBondContact O-N 3.11Å; V124-H126 VanDerWaalsContact O-N 3.13Å; H126-Y297 HydrophobicContact CB-CD1 4.14Å; H126-Y297 HydrophobicContact CB-CD2 3.4Å; H126-Y297 HydrophobicContact CB-CE1 4.03Å; H126-Y297 HydrophobicContact CB-CE2 3.29Å; H126-Y297 HydrophobicContact CB-CG 3.85Å; H126-Y297 AromaticContact CD2-CD1 3.45Å; H126-Y297 VanDerWaalsContact CD2-CD1 3.45Å; H126-Y297 WeakPolarHBondContact CD2-CD1 3.4Å; H126-Y297 AromaticContact CD2-CE1 3.78Å; H126-Y297 AromaticContact CD2-CG 3.68Å; H126-Y297 AromaticContact CE1-CG 3.9Å; H126-Y297 AromaticContact CG-CD1 3.75Å; H126-Y297 AromaticContact CG-CD2 3.59Å; H126-Y297 AromaticContact CG-CE2 3.94Å; H126-Y297 AromaticContact CG-CG 3.51Å; H126-Y297 AromaticContact ND1-CD2 3.88Å; H126-Y297 AromaticContact ND1-CG 3.69Å; H126-Y297 AromaticContact NE2-CD1 3.82Å; H126-Y297 AromaticContact NE2-CG 3.92Å; H126-V304 WeakPolarHBondContact CE1-CG2 3.44Å; H126-V304 WeakPolarHBondContact NE2-CG2 3.47Å; H126-R311 PolarHBondContact O-NH2 2.86Å
127T92.3Very high94.5Very high7 Ų717.1 Ų17.14%0.04310%0.101CC..Hα-helixtrans-127.9-11.5-166.458.30000114.7G123 V124 G289 E293 Y297 G388G123-T127 WeakPolarHBondContact O-CB 3.4Å; G123-T127 WeakPolarHBondContact O-CG2 3.31Å; G123-T127 PolarHBondContact O-N 3.49Å; G123-T127 PolarHBondContact O-OG1 3.25Å; V124-T127 PolarHBondContact O-N 3.49Å; T127-G289 WeakPolarHBondContact OG1-CA 3.46Å; T127-G289 PolarHBondContact OG1-N 3.3Å; T127-E293 HydrophobicContact CG2-CB 4.24Å; T127-E293 HydrophobicContact CG2-CG 4.12Å; T127-Y297 HydrophobicContact CG2-CE2 3.84Å; T127-G388 PolarHBondContact O-N 3.22Å
128T93.3Very high94.5Very high7 Ų718.1 Ų18.14%0.04311%0.106CC..  trans-120.3115-172.4-520000110.6V124 R134 V209 A287 G288 I308V124-T128 HydrophobicContact CG1-CG2 4.4Å; V124-T128 WeakPolarHBondContact O-CB 3.4Å; V124-T128 PolarHBondContact O-N 3.48Å; V124-T128 PolarHBondContact O-OG1 3.4Å; T128-R134 PolarHBondContact O-NH2 2.96Å; T128-V209 HydrophobicContact CG2-CB 4.43Å; T128-V209 HydrophobicContact CG2-CG1 3.9Å; T128-A287 WeakPolarHBondContact OG1-CA 3.42Å; T128-G288 PolarHBondContact OG1-N 2.48Å; T128-I308 WeakPolarHBondContact O-CD1 3.28Å
129G89.7Confident94.5Very high17 Ų1715.1 Ų15.118%0.17510%0.095CC..  trans-79.7177.9-178.100000112.5
130G87.8Confident94.4Very high37 Ų3715.6 Ų15.638%0.38110%0.102SC..SBendtrans97.1-168.8-17500000112.1R134G130-R134 PolarHBondContact O-NH2 3.49Å; G130-R134 VanDerWaalsContact O-NH2 3.1Å
131A88.7Confident94.1Very high35 Ų3516 Ų1629%0.28911%0.106SC..  trans-55.4144.8-170.300000113.3Q133 R134 K206 V207A131-Q133 PolarHBondContact O-N 3.06Å; A131-R134 VanDerWaalsContact O-CG 3.3Å; A131-R134 WeakPolarHBondContact O-CG 3.41Å; A131-R134 PolarHBondContact O-NE 3.23Å; A131-R134 PolarHBondContact O-NH2 3.46Å; A131-K206 HydrophobicContact CB-CB 3.75Å; A131-K206 HydrophobicContact CB-CD 4.16Å; A131-V207 HydrophobicContact CB-CG1 3.97Å; A131-V207 HydrophobicContact CB-CG2 4.26Å
132D89Confident94Very high50 Ų5016.1 Ų16.127%0.26711%0.108SC..SBendtrans-70.5-29.6-176.5-80.2-11.5000114R134 T150 G151D132-R134 PolarHBondContact O-N 3.41Å; D132-R134 IonicContact OD1-NH2 2.87Å; D132-T150 HydrophobicContact CB-CG2 4.15Å; D132-T150 CarbonylContact O-C 3.53Å; D132-T150 VanDerWaalsContact O-CA 3.26Å; D132-T150 WeakPolarHBondContact O-CA 3.47Å; D132-G151 PolarHBondContact O-N 3.28Å
133Q95.1Very high94.1Very high57 Ų5713.6 Ų13.627%0.26610%0.096SC..EExtended strand (participates in β ladder)trans-86.1109.1179.2-163.3-170.50.700110A131 G149 H203 G204 K206 V207A131-Q133 PolarHBondContact O-N 3.06Å; Q133-G149 CarbonylContact C-O 3.56Å; Q133-G149 WeakPolarHBondContact CA-O 3.43Å; Q133-H203 PolarHBondContact NE2-O 3.34Å; Q133-G204 PolarHBondContact NE2-O 2.93Å; Q133-K206 HydrophobicContact CB-CB 4.47Å; Q133-K206 HydrophobicContact CB-CD 4.46Å; Q133-K206 HydrophobicContact CB-CG 4.19Å; Q133-K206 PolarHBondContact O-N 3.18Å; Q133-V207 PolarHBondContact O-N 2.84Å
134R96.2Very high94.3Very high3 Ų313.6 Ų13.61%0.01110%0.096CC..EExtended strand (participates in β ladder)trans-127.5144.8-165.7-55.2-178.9-178.8136.93.8111.9Y121 T128 G130 A131 D132 T148 G149 V207Y121-R134 HydrophobicContact CE2-CB 4.38Å; T128-R134 PolarHBondContact O-NH2 2.96Å; G130-R134 PolarHBondContact O-NH2 3.49Å; G130-R134 VanDerWaalsContact O-NH2 3.1Å; A131-R134 VanDerWaalsContact O-CG 3.3Å; A131-R134 WeakPolarHBondContact O-CG 3.41Å; A131-R134 PolarHBondContact O-NE 3.23Å; A131-R134 PolarHBondContact O-NH2 3.46Å; D132-R134 PolarHBondContact O-N 3.41Å; D132-R134 IonicContact OD1-NH2 2.87Å; R134-T148 WeakPolarHBondContact O-CA 3.46Å; R134-G149 PolarHBondContact N-O 2.9Å; R134-G149 PolarHBondContact O-N 3.26Å; R134-V207 WeakPolarHBondContact CA-O 3.33Å; R134-V207 HydrophobicContact CB-CG2 4.34Å; R134-V207 HydrophobicContact CG-CG2 3.7Å
135L98.4Very high94.4Very high0 Ų013.7 Ų13.70%010%0.097CC..EExtended strand (participates in β ladder)trans-103.1120.5156.1170.765.4000108.3V137 V147 T148 L200 W205 V207 C208 V209 L279 I281L135-V137 HydrophobicContact CD1-CG2 4.48Å; L135-V137 HydrophobicContact CD2-CG2 4.22Å; L135-V137 HydrophobicContact CG-CG2 4.03Å; L135-V147 CarbonylContact C-O 3.55Å; L135-V147 WeakPolarHBondContact CA-O 3.3Å; L135-T148 HydrophobicContact CD1-CG2 4.09Å; L135-L200 HydrophobicContact CD1-CD2 4.19Å; L135-W205 HydrophobicContact CB-CB 3.85Å; L135-W205 HydrophobicContact CB-CD2 3.41Å; L135-W205 VanDerWaalsContact CB-CD2 3.41Å; L135-W205 HydrophobicContact CB-CE3 3.68Å; L135-W205 HydrophobicContact CB-CG 3.46Å; L135-W205 VanDerWaalsContact CB-CG 3.46Å; L135-W205 HydrophobicContact CB-CZ3 4.47Å; L135-W205 HydrophobicContact CD1-CE3 4.46Å; L135-W205 HydrophobicContact CD2-CD2 3.82Å; L135-W205 HydrophobicContact CD2-CE3 3.93Å; L135-W205 HydrophobicContact CD2-CH2 3.81Å; L135-W205 HydrophobicContact CD2-CZ2 3.64Å; L135-W205 HydrophobicContact CD2-CZ3 3.92Å; L135-W205 HydrophobicContact CG-CD2 4.2Å; L135-W205 HydrophobicContact CG-CE3 4.23Å; L135-V207 PolarHBondContact N-O 3.37Å; L135-C208 HydrophobicContact CB-CB 4.39Å; L135-C208 CarbonylContact O-C 3.59Å; L135-C208 VanDerWaalsContact O-CA 3.31Å; L135-C208 WeakPolarHBondContact O-CA 3.46Å; L135-V209 PolarHBondContact O-N 2.92Å; L135-L279 HydrophobicContact CD2-CD1 3.71Å; L135-I281 HydrophobicContact CD2-CD1 3.83Å; L135-I281 HydrophobicContact CD2-CG1 4.19Å
136V98.5Very high94.7Very high1 Ų113.6 Ų13.61%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-101.3131.1173.8-177.80000109I120 Y121 V124 L146 V147 V209I120-V136 HydrophobicContact CG2-CG1 3.84Å; Y121-V136 HydrophobicContact CD2-CB 4.21Å; Y121-V136 HydrophobicContact CD2-CG2 3.45Å; Y121-V136 VanDerWaalsContact CD2-CG2 3.45Å; Y121-V136 HydrophobicContact CE2-CG2 3.89Å; Y121-V136 HydrophobicContact CG-CG2 4.37Å; V124-V136 HydrophobicContact CB-CG2 4.15Å; V124-V136 HydrophobicContact CG1-CG2 3.86Å; V124-V136 HydrophobicContact CG2-CG1 3.72Å; V124-V136 HydrophobicContact CG2-CG2 4.19Å; V136-L146 WeakPolarHBondContact O-CA 3.31Å; V136-V147 HydrophobicContact CB-CB 4.32Å; V136-V147 PolarHBondContact N-O 2.97Å; V136-V147 PolarHBondContact O-N 3.39Å; V136-V209 WeakPolarHBondContact CA-O 3.49Å; V136-V209 HydrophobicContact CB-CG2 4.3Å; V136-V209 HydrophobicContact CG1-CG2 4.46Å; V136-V209 HydrophobicContact CG2-CG2 3.73Å
137V98.7Very high95Very high0 Ų013.2 Ų13.20%09%0.094CC..EExtended strand (participates in β ladder)trans-123.7120.2177.4-177.40000109.2L135 I139 T144 E145 L146 V209 G210 A211 I275 M284L135-V137 HydrophobicContact CD1-CG2 4.48Å; L135-V137 HydrophobicContact CD2-CG2 4.22Å; L135-V137 HydrophobicContact CG-CG2 4.03Å; V137-I139 HydrophobicContact CG1-CG1 4.21Å; V137-T144 HydrophobicContact CG1-CG2 4.48Å; V137-E145 WeakPolarHBondContact CA-O 3.45Å; V137-L146 HydrophobicContact CB-CD2 4.16Å; V137-L146 HydrophobicContact CG1-CD2 3.85Å; V137-L146 HydrophobicContact CG2-CD2 3.72Å; V137-V209 PolarHBondContact N-O 3.23Å; V137-G210 CarbonylContact O-C 3.51Å; V137-G210 VanDerWaalsContact O-CA 3.26Å; V137-G210 WeakPolarHBondContact O-CA 3.29Å; V137-A211 PolarHBondContact O-N 2.81Å; V137-I275 HydrophobicContact CG1-CD1 3.68Å; V137-I275 HydrophobicContact CG1-CG2 4.4Å; V137-I275 HydrophobicContact CG2-CG2 4.25Å; V137-M284 HydrophobicContact CB-CE 3.82Å; V137-M284 HydrophobicContact CG1-CE 4.33Å; V137-M284 HydrophobicContact CG2-CE 3.69Å
138D98.2Very high95.3Very high20 Ų2012.9 Ų12.911%0.1079%0.092CC..EExtended strand (participates in β ladder)trans-121.6116.8170.4-165.8-3.6000110.2I120 T144 E145 A211 S212I120-D138 HydrophobicContact CD1-CB 3.93Å; I120-D138 WeakPolarHBondContact CD1-OD2 3.4Å; I120-D138 HydrophobicContact CG2-CB 4.12Å; D138-T144 CarbonylContact O-C 2.86Å; D138-T144 WeakPolarHBondContact O-CA 3.42Å; D138-T144 WeakPolarHBondContact O-CG2 3.42Å; D138-E145 HydrophobicContact CB-CB 4.43Å; D138-E145 PolarHBondContact N-O 3.45Å; D138-E145 PolarHBondContact O-N 3.28Å; D138-A211 HydrophobicContact CB-CB 4.18Å; D138-S212 WeakPolarHBondContact OD1-CA 3.45Å; D138-S212 WeakPolarHBondContact OD1-CB 3.48Å
139I97.5Very high95.5Very high4 Ų412.6 Ų12.62%0.0219%0.09CC..EExtended strand (participates in β ladder)trans-97.693.2177.3-57170.7000107.7V137 T144 C164 S212 I271 L272 I275V137-I139 HydrophobicContact CG1-CG1 4.21Å; I139-T144 HydrophobicContact CG1-CG2 4.04Å; I139-C164 HydrophobicContact CG2-CB 4.29Å; I139-S212 WeakPolarHBondContact O-CB 3.4Å; I139-I271 HydrophobicContact CD1-CB 4.33Å; I139-I271 HydrophobicContact CD1-CG2 3.84Å; I139-I271 HydrophobicContact CG1-CG2 4.08Å; I139-I271 HydrophobicContact CG2-CD1 4.09Å; I139-I271 HydrophobicContact CG2-CG2 4.22Å; I139-L272 HydrophobicContact CD1-CB 3.87Å; I139-L272 HydrophobicContact CD1-CD1 4.02Å; I139-L272 HydrophobicContact CD1-CG 4.48Å; I139-I275 HydrophobicContact CD1-CD1 4.16Å; I139-I275 HydrophobicContact CG1-CD1 4.26Å
140G94.6Very high95.8Very high20 Ų2015.3 Ų15.321%0.20610%0.104CC..  trans-74.1-174.1173.700000113.1S143 G163 C164G140-S143 CarbonylContact C-O 3.51Å; G140-S143 VanDerWaalsContact CA-O 3.23Å; G140-S143 WeakPolarHBondContact CA-O 3.31Å; G140-S143 PolarHBondContact N-O 3.45Å; G140-G163 CarbonylContact O-C 3.53Å; G140-G163 VanDerWaalsContact O-CA 3.24Å; G140-G163 WeakPolarHBondContact O-CA 3.49Å; G140-C164 PolarHBondContact O-N 3.46Å; G140-C164 PolarHBondContact O-SG 3.5Å
141G92.9Very high95.9Very high8 Ų814.1 Ų14.18%0.0829%0.092CC..SBendtrans-73.4-35.1178.300000113.3G163 C164 V165 T166G141-G163 CarbonylContact O-C 3.27Å; G141-G163 VanDerWaalsContact O-C 3.27Å; G141-G163 WeakPolarHBondContact O-CA 3.38Å; G141-C164 PolarHBondContact O-N 3.36Å; G141-V165 WeakPolarHBondContact O-CA 3.11Å; G141-V165 VanDerWaalsContact O-CB 3.28Å; G141-V165 WeakPolarHBondContact O-CB 3.41Å; G141-V165 PolarHBondContact O-N 2.87Å; G141-T166 PolarHBondContact O-N 3.46Å; G141-T166 VanDerWaalsContact O-N 3.17Å
142A94.6Very high96Very high4 Ų414.8 Ų14.83%0.03310%0.097CC..SBendtrans-127.7-13.8-176.500000114.6S15 A85 T166S15-A142 WeakPolarHBondContact OG-CB 3.22Å; A85-A142 HydrophobicContact CB-CB 3.88Å; A142-T166 HydrophobicContact CB-CG2 3.81Å
143S96.5Very high96.2Very high4 Ų419.5 Ų19.53%0.02812%0.118CC..  trans-135.1163.8174.760.60000110.7G140 E145 L160 M162G140-S143 CarbonylContact C-O 3.51Å; G140-S143 VanDerWaalsContact CA-O 3.23Å; G140-S143 WeakPolarHBondContact CA-O 3.31Å; G140-S143 PolarHBondContact N-O 3.45Å; S143-E145 WeakPolarHBondContact CB-OE1 3.38Å; S143-E145 PolarHBondContact OG-OE1 3.46Å; S143-L160 CarbonylContact C-O 3.59Å; S143-L160 WeakPolarHBondContact CA-O 3.49Å; S143-L160 WeakPolarHBondContact CB-O 3.32Å; S143-M162 CarbonylContact C-O 3.49Å; S143-M162 VanDerWaalsContact CA-O 3.31Å; S143-M162 WeakPolarHBondContact CA-O 3.47Å
144T98.3Very high96.3Very high0 Ų018.6 Ų18.60%012%0.116CC..EExtended strand (participates in β ladder)trans-130.1122.3173.3-67.40000108.6V137 D138 I139 L146 L160 M162 I275V137-T144 HydrophobicContact CG1-CG2 4.48Å; D138-T144 CarbonylContact O-C 2.86Å; D138-T144 WeakPolarHBondContact O-CA 3.42Å; D138-T144 WeakPolarHBondContact O-CG2 3.42Å; I139-T144 HydrophobicContact CG1-CG2 4.04Å; T144-L146 HydrophobicContact CG2-CD2 4.38Å; T144-L146 HydrophobicContact CG2-CG 4.39Å; T144-L160 PolarHBondContact N-O 3.22Å; T144-L160 PolarHBondContact O-N 3.49Å; T144-M162 VanDerWaalsContact CB-O 3.3Å; T144-M162 WeakPolarHBondContact CB-O 3.37Å; T144-M162 HydrophobicContact CG2-CE 3.56Å; T144-M162 PolarHBondContact N-O 3.31Å; T144-M162 PolarHBondContact OG1-O 2.82Å; T144-I275 HydrophobicContact CG2-CD1 3.96Å
145E98.5Very high96.3Very high2 Ų221.5 Ų21.51%0.00913%0.134CC..EExtended strand (participates in β ladder)trans-95133179.2-7166.6-125.100110.4E116 A117 I120 V137 D138 S143 F158 S159E116-E145 HydrophobicContact CG-CG 4.29Å; A117-E145 HydrophobicContact CB-CB 3.85Å; A117-E145 HydrophobicContact CB-CG 3.73Å; I120-E145 HydrophobicContact CD1-CB 3.98Å; I120-E145 HydrophobicContact CD1-CG 3.93Å; V137-E145 WeakPolarHBondContact CA-O 3.45Å; D138-E145 HydrophobicContact CB-CB 4.43Å; D138-E145 PolarHBondContact N-O 3.45Å; D138-E145 PolarHBondContact O-N 3.28Å; S143-E145 WeakPolarHBondContact CB-OE1 3.38Å; S143-E145 PolarHBondContact OG-OE1 3.46Å; E145-F158 CarbonylContact C-O 3.45Å; E145-F158 VanDerWaalsContact CA-O 3.25Å; E145-F158 WeakPolarHBondContact CA-O 3.08Å; E145-S159 PolarHBondContact OE1-OG 3.08Å
146L98.7Very high96.3Very high0 Ų021.6 Ų21.60%014%0.135CC..EExtended strand (participates in β ladder)trans-128.4119.6178.8-62.6170000108.4V136 V137 T144 F158 L160 L193 V196 L200 I275V136-L146 WeakPolarHBondContact O-CA 3.31Å; V137-L146 HydrophobicContact CB-CD2 4.16Å; V137-L146 HydrophobicContact CG1-CD2 3.85Å; V137-L146 HydrophobicContact CG2-CD2 3.72Å; T144-L146 HydrophobicContact CG2-CD2 4.38Å; T144-L146 HydrophobicContact CG2-CG 4.39Å; L146-F158 HydrophobicContact CB-CB 4.41Å; L146-F158 PolarHBondContact N-O 3.28Å; L146-F158 PolarHBondContact O-N 3.21Å; L146-L160 HydrophobicContact CD1-CD1 3.57Å; L146-L160 HydrophobicContact CD1-CG 4.4Å; L146-L193 HydrophobicContact CD1-CD2 3.42Å; L146-L193 VanDerWaalsContact CD1-CD2 3.42Å; L146-V196 HydrophobicContact CD1-CG2 4.42Å; L146-L200 HydrophobicContact CB-CD1 3.95Å; L146-L200 HydrophobicContact CB-CD2 4.31Å; L146-L200 HydrophobicContact CD1-CD1 3.81Å; L146-L200 HydrophobicContact CG-CD1 4.45Å; L146-I275 HydrophobicContact CD2-CD1 4.37Å; L146-I275 HydrophobicContact CD2-CG2 4.37Å
147V98.6Very high96.3Very high1 Ų123.8 Ų23.81%0.00615%0.146CC..EExtended strand (participates in β ladder)trans-134.5123.4-174.6-169.50000110.6A117 Y121 L135 V136 T154 S156 L157A117-V147 HydrophobicContact CB-CG2 3.6Å; A117-V147 WeakPolarHBondContact O-CG2 3.34Å; Y121-V147 HydrophobicContact CD2-CB 3.91Å; Y121-V147 HydrophobicContact CD2-CG1 3.45Å; Y121-V147 VanDerWaalsContact CD2-CG1 3.45Å; Y121-V147 HydrophobicContact CE2-CG1 4.32Å; Y121-V147 HydrophobicContact CG-CB 4.43Å; Y121-V147 HydrophobicContact CG-CG1 3.74Å; L135-V147 CarbonylContact C-O 3.55Å; L135-V147 WeakPolarHBondContact CA-O 3.3Å; V136-V147 HydrophobicContact CB-CB 4.32Å; V136-V147 PolarHBondContact N-O 2.97Å; V136-V147 PolarHBondContact O-N 3.39Å; V147-T154 HydrophobicContact CG1-CG2 3.74Å; V147-S156 VanDerWaalsContact CA-O 3.3Å; V147-S156 WeakPolarHBondContact CA-O 3.45Å; V147-S156 WeakPolarHBondContact CG1-O 3.44Å; V147-L157 HydrophobicContact CB-CD2 4.26Å; V147-L157 HydrophobicContact CG1-CD2 3.48Å; V147-L157 VanDerWaalsContact CG1-CD2 3.48Å; V147-L157 HydrophobicContact CG1-CG 4.24Å; V147-L157 HydrophobicContact CG2-CD2 3.78Å
148T98.4Very high96.3Very high0 Ų025.5 Ų25.50%015%0.154CC..EExtended strand (participates in β ladder)trans-94.7148.7164.153.20000109.5R134 L135 T154 T155 S156 L200 H203 W205R134-T148 WeakPolarHBondContact O-CA 3.46Å; L135-T148 HydrophobicContact CD1-CG2 4.09Å; T148-T154 CarbonylContact O-C 3.56Å; T148-T155 VanDerWaalsContact CB-OG1 3.29Å; T148-T155 WeakPolarHBondContact CB-OG1 3.3Å; T148-T155 PolarHBondContact O-N 3.17Å; T148-T155 PolarHBondContact O-OG1 3.27Å; T148-T155 VanDerWaalsContact O-OG1 3.08Å; T148-T155 PolarHBondContact OG1-OG1 3.08Å; T148-S156 PolarHBondContact N-O 3.35Å; T148-S156 VanDerWaalsContact N-O 3.09Å; T148-S156 PolarHBondContact O-N 3.48Å; T148-S156 VanDerWaalsContact OG1-CB 3.3Å; T148-S156 WeakPolarHBondContact OG1-CB 3.27Å; T148-S156 PolarHBondContact OG1-N 2.99Å; T148-S156 VanDerWaalsContact OG1-N 3.15Å; T148-L200 HydrophobicContact CG2-CB 4.49Å; T148-L200 HydrophobicContact CG2-CD2 3.72Å; T148-H203 HydrophobicContact CG2-CB 4.41Å; T148-W205 HydrophobicContact CG2-CE3 3.97Å; T148-W205 HydrophobicContact CG2-CZ3 4.39Å
149G96.9Very high96.3Very high1 Ų126.1 Ų26.11%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-171.4172.717400000113Y121 Q133 R134 Q153 T155Y121-G149 WeakPolarHBondContact OH-CA 3.31Å; Y121-G149 PolarHBondContact OH-O 3.31Å; Q133-G149 CarbonylContact C-O 3.56Å; Q133-G149 WeakPolarHBondContact CA-O 3.43Å; R134-G149 PolarHBondContact N-O 2.9Å; R134-G149 PolarHBondContact O-N 3.26Å; G149-Q153 CarbonylContact C-O 3.56Å; G149-Q153 WeakPolarHBondContact CA-O 3.29Å; G149-T155 PolarHBondContact N-OG1 3.35Å
150T95.1Very high96.3Very high74 Ų7426.9 Ų26.945%0.45416%0.163SC..EExtended strand (participates in β ladder)trans-128.1120.5173.7-59.60000109.9Y121 D132 A152 Q153Y121-T150 PolarHBondContact OH-N 2.89Å; D132-T150 HydrophobicContact CB-CG2 4.15Å; D132-T150 CarbonylContact O-C 3.53Å; D132-T150 VanDerWaalsContact O-CA 3.26Å; D132-T150 WeakPolarHBondContact O-CA 3.47Å; T150-A152 PolarHBondContact O-N 3.42Å; T150-Q153 PolarHBondContact N-O 2.91Å; T150-Q153 PolarHBondContact O-N 2.94Å
151G91.7Very high96.3Very high13 Ų1330.3 Ų30.313%0.13418%0.184CC..THydrogen-bonded Turntrans59.2-122.8-174.400000110.4Y121 D132Y121-G151 VanDerWaalsContact CE1-O 3.22Å; Y121-G151 WeakPolarHBondContact CE1-O 3.24Å; Y121-G151 PolarHBondContact OH-O 3.27Å; D132-G151 PolarHBondContact O-N 3.28Å
152A89.4Confident96.5Very high48 Ų4829.9 Ų29.940%0.39718%0.18SC..THydrogen-bonded Turntrans-84-11.6177.800000114.6T150 V304T150-A152 PolarHBondContact O-N 3.42Å; A152-V304 HydrophobicContact CB-CB 3.95Å; A152-V304 HydrophobicContact CB-CG1 4.02Å; A152-V304 HydrophobicContact CB-CG2 3.7Å
153Q94Very high96.5Very high150 Ų15029.7 Ų29.770%0.70118%0.179SC*.EExtended strand (participates in β ladder)trans-98.6128.2-171.5-173.6174.25.500111.2G149 T150G149-Q153 CarbonylContact C-O 3.56Å; G149-Q153 WeakPolarHBondContact CA-O 3.29Å; T150-Q153 PolarHBondContact N-O 2.91Å; T150-Q153 PolarHBondContact O-N 2.94Å
154T96.7Very high96.4Very high38 Ų3830 Ų3023%0.23318%0.18CC..EExtended strand (participates in β ladder)trans-83.8144.6175.354.60000110.9Y121 V147 T148 L157Y121-T154 HydrophobicContact CD1-CG2 3.45Å; Y121-T154 VanDerWaalsContact CD1-CG2 3.45Å; Y121-T154 HydrophobicContact CD2-CG2 4.33Å; Y121-T154 HydrophobicContact CE1-CG2 4.07Å; Y121-T154 HydrophobicContact CG-CG2 3.64Å; V147-T154 HydrophobicContact CG1-CG2 3.74Å; T148-T154 CarbonylContact O-C 3.56Å; T154-L157 HydrophobicContact CG2-CD2 4.02Å; T154-L157 HydrophobicContact CG2-CG 4.44Å
155T97.4Very high96.1Very high63 Ų6330.5 Ų30.539%0.38718%0.184SC..EExtended strand (participates in β ladder)trans-110-42.9176.646.40000112.7T148 G149T148-T155 VanDerWaalsContact CB-OG1 3.29Å; T148-T155 WeakPolarHBondContact CB-OG1 3.3Å; T148-T155 PolarHBondContact O-N 3.17Å; T148-T155 PolarHBondContact O-OG1 3.27Å; T148-T155 VanDerWaalsContact O-OG1 3.08Å; T148-T155 PolarHBondContact OG1-OG1 3.08Å; G149-T155 PolarHBondContact N-OG1 3.35Å
156S97.7Very high95.9Very high2 Ų232.4 Ų32.41%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-132.3141.6171-60.10000110V147 T148 E199 H203V147-S156 VanDerWaalsContact CA-O 3.3Å; V147-S156 WeakPolarHBondContact CA-O 3.45Å; V147-S156 WeakPolarHBondContact CG1-O 3.44Å; T148-S156 PolarHBondContact N-O 3.35Å; T148-S156 VanDerWaalsContact N-O 3.09Å; T148-S156 PolarHBondContact O-N 3.48Å; T148-S156 VanDerWaalsContact OG1-CB 3.3Å; T148-S156 WeakPolarHBondContact OG1-CB 3.27Å; T148-S156 PolarHBondContact OG1-N 2.99Å; T148-S156 VanDerWaalsContact OG1-N 3.15Å; S156-E199 WeakPolarHBondContact CB-OE1 3.14Å; S156-E199 PolarHBondContact OG-OE1 3.22Å; S156-H203 PolarHBondContact OG-CD2 2.87Å
157L97.9Very high95.7Very high47 Ų4732.7 Ų32.725%0.24620%0.196CC..EExtended strand (participates in β ladder)trans-133112.8-176.4-75.3162000109.1A117 R118 V147 T154A117-L157 HydrophobicContact CB-CD2 3.9Å; R118-L157 HydrophobicContact CB-CD1 4.17Å; R118-L157 HydrophobicContact CB-CD2 3.88Å; R118-L157 HydrophobicContact CG-CD1 4.32Å; V147-L157 HydrophobicContact CB-CD2 4.26Å; V147-L157 HydrophobicContact CG1-CD2 3.48Å; V147-L157 VanDerWaalsContact CG1-CD2 3.48Å; V147-L157 HydrophobicContact CG1-CG 4.24Å; V147-L157 HydrophobicContact CG2-CD2 3.78Å; T154-L157 HydrophobicContact CG2-CD2 4.02Å; T154-L157 HydrophobicContact CG2-CG 4.44Å
158F98.4Very high95.6Very high37 Ų3733.9 Ų33.916%0.16220%0.203CC..EExtended strand (participates in β ladder)trans-128.2141.9176.9-61.1-71000111.2E145 L146 L160 V196 E199 L200E145-F158 CarbonylContact C-O 3.45Å; E145-F158 VanDerWaalsContact CA-O 3.25Å; E145-F158 WeakPolarHBondContact CA-O 3.08Å; L146-F158 HydrophobicContact CB-CB 4.41Å; L146-F158 PolarHBondContact N-O 3.28Å; L146-F158 PolarHBondContact O-N 3.21Å; F158-L160 HydrophobicContact CB-CD2 4.43Å; F158-V196 HydrophobicContact CD1-CB 3.98Å; F158-V196 HydrophobicContact CD1-CG1 3.42Å; F158-V196 VanDerWaalsContact CD1-CG1 3.42Å; F158-V196 HydrophobicContact CD2-CB 3.86Å; F158-V196 HydrophobicContact CD2-CG1 4.24Å; F158-V196 HydrophobicContact CD2-CG2 4.37Å; F158-V196 HydrophobicContact CE1-CB 3.93Å; F158-V196 HydrophobicContact CE1-CG1 3.48Å; F158-V196 VanDerWaalsContact CE1-CG1 3.48Å; F158-V196 HydrophobicContact CE2-CB 3.81Å; F158-V196 HydrophobicContact CE2-CG1 4.29Å; F158-V196 HydrophobicContact CG-CB 3.92Å; F158-V196 HydrophobicContact CG-CG1 3.8Å; F158-V196 HydrophobicContact CG-CG2 4.39Å; F158-V196 HydrophobicContact CZ-CB 3.83Å; F158-V196 HydrophobicContact CZ-CG1 3.92Å; F158-E199 HydrophobicContact CE2-CB 4.32Å; F158-E199 HydrophobicContact CZ-CB 4.16Å; F158-E199 VanDerWaalsContact CZ-CD 3.5Å; F158-E199 HydrophobicContact CZ-CG 4.32Å; F158-E199 WeakPolarHBondContact CZ-OE2 3.45Å; F158-L200 HydrophobicContact CD2-CD1 4.3Å; F158-L200 HydrophobicContact CD2-CD2 3.92Å; F158-L200 HydrophobicContact CD2-CG 4.02Å; F158-L200 HydrophobicContact CE2-CD2 4.1Å; F158-L200 HydrophobicContact CE2-CG 3.98Å
159S98.1Very high95.3Very high33 Ų3338.7 Ų38.723%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-124.7107.3166.5148.60000107.6G113 E145G113-S159 WeakPolarHBondContact CA-OG 3.39Å; G113-S159 WeakPolarHBondContact O-CB 3.44Å; E145-S159 PolarHBondContact OE1-OG 3.08Å
160L98.1Very high95.2Very high19 Ų1946.8 Ų46.810%0.09926%0.255CS..EExtended strand (participates in β ladder)trans-92.9140.8-176.8-58.3-177.5000110.3S143 T144 L146 F158 M162 V192 L193 V196S143-L160 CarbonylContact C-O 3.59Å; S143-L160 WeakPolarHBondContact CA-O 3.49Å; S143-L160 WeakPolarHBondContact CB-O 3.32Å; T144-L160 PolarHBondContact N-O 3.22Å; T144-L160 PolarHBondContact O-N 3.49Å; L146-L160 HydrophobicContact CD1-CD1 3.57Å; L146-L160 HydrophobicContact CD1-CG 4.4Å; F158-L160 HydrophobicContact CB-CD2 4.43Å; L160-M162 HydrophobicContact CB-CE 4.23Å; L160-M162 HydrophobicContact CB-CG 4.03Å; L160-M162 HydrophobicContact CB-SD 4.31Å; L160-M162 HydrophobicContact CD1-CE 3.75Å; L160-M162 HydrophobicContact CD1-SD 4.32Å; L160-M162 PolarHBondContact O-N 3.26Å; L160-V192 HydrophobicContact CB-CG1 3.82Å; L160-V192 HydrophobicContact CD1-CG1 4.19Å; L160-V192 HydrophobicContact CD2-CG1 4.47Å; L160-V192 HydrophobicContact CG-CG1 4.38Å; L160-L193 HydrophobicContact CD1-CD2 3.72Å; L160-L193 HydrophobicContact CD1-CG 4.29Å; L160-V196 HydrophobicContact CD1-CG2 3.92Å; L160-V196 HydrophobicContact CD2-CG1 4.06Å; L160-V196 HydrophobicContact CD2-CG2 4.12Å
161S95.2Very high95.3Very high92 Ų9244.9 Ų44.964%0.64324%0.24SC*.SBendtrans-75.263.3177-164.40000111.3
162M95.7Very high95.5Very high0 Ų044.3 Ų44.30%023%0.234CC..  trans-146.5122.3176.568.8-174.9-169.500109.6S143 T144 L160 W167 A189 V192 L193 I271 I275S143-M162 CarbonylContact C-O 3.49Å; S143-M162 VanDerWaalsContact CA-O 3.31Å; S143-M162 WeakPolarHBondContact CA-O 3.47Å; T144-M162 VanDerWaalsContact CB-O 3.3Å; T144-M162 WeakPolarHBondContact CB-O 3.37Å; T144-M162 HydrophobicContact CG2-CE 3.56Å; T144-M162 PolarHBondContact N-O 3.31Å; T144-M162 PolarHBondContact OG1-O 2.82Å; L160-M162 HydrophobicContact CB-CE 4.23Å; L160-M162 HydrophobicContact CB-CG 4.03Å; L160-M162 HydrophobicContact CB-SD 4.31Å; L160-M162 HydrophobicContact CD1-CE 3.75Å; L160-M162 HydrophobicContact CD1-SD 4.32Å; L160-M162 PolarHBondContact O-N 3.26Å; M162-W167 HydrophobicContact CB-CD2 4.3Å; M162-W167 HydrophobicContact CB-CE3 3.76Å; M162-W167 HydrophobicContact CB-CH2 3.3Å; M162-W167 HydrophobicContact CB-CZ2 3.87Å; M162-W167 HydrophobicContact CB-CZ3 3.25Å; M162-A189 HydrophobicContact SD-CB 4.45Å; M162-V192 HydrophobicContact CB-CG1 4.43Å; M162-V192 HydrophobicContact CG-CG1 4.33Å; M162-V192 HydrophobicContact SD-CB 4.17Å; M162-V192 HydrophobicContact SD-CG1 3.86Å; M162-L193 HydrophobicContact CE-CD1 4.41Å; M162-L193 HydrophobicContact CE-CD2 3.85Å; M162-L193 HydrophobicContact CE-CG 3.97Å; M162-L193 HydrophobicContact SD-CG 4.36Å; M162-I271 HydrophobicContact CE-CG2 4.05Å; M162-I271 HydrophobicContact SD-CG2 4.39Å; M162-I275 HydrophobicContact CE-CD1 4.11Å; M162-I275 HydrophobicContact CE-CG1 4.22Å
163G95.2Very high95.7Very high0 Ų045.5 Ų45.50%024%0.244CC..  trans-146.6161.6179.500000111.1G140 G141 V165 T166 W167G140-G163 CarbonylContact O-C 3.53Å; G140-G163 VanDerWaalsContact O-CA 3.24Å; G140-G163 WeakPolarHBondContact O-CA 3.49Å; G141-G163 CarbonylContact O-C 3.27Å; G141-G163 VanDerWaalsContact O-C 3.27Å; G141-G163 WeakPolarHBondContact O-CA 3.38Å; G163-V165 VanDerWaalsContact C-N 3.27Å; G163-V165 PolarHBondContact O-N 2.99Å; G163-T166 PolarHBondContact N-OG1 3.38Å; G163-T166 PolarHBondContact O-N 3.02Å; G163-T166 PolarHBondContact O-OG1 3.16Å; G163-W167 WeakPolarHBondContact O-CB 3.4Å; G163-W167 PolarHBondContact O-N 3.43Å
164C95Very high95.8Very high9 Ų942.3 Ų42.36%0.06123%0.232CC..Hα-helixtrans-64.4-28.3-171.262.60000113.6I139 G140 G141 L168 S267I139-C164 HydrophobicContact CG2-CB 4.29Å; G140-C164 PolarHBondContact O-N 3.46Å; G140-C164 PolarHBondContact O-SG 3.5Å; G141-C164 PolarHBondContact O-N 3.36Å; C164-L168 VanDerWaalsContact O-CB 3.32Å; C164-L168 WeakPolarHBondContact O-CB 3.17Å; C164-L168 PolarHBondContact O-N 3.13Å; C164-S267 VanDerWaalsContact O-CB 3.27Å; C164-S267 WeakPolarHBondContact O-CB 3.37Å; C164-S267 PolarHBondContact O-OG 3.3Å
165V92.8Very high95.7Very high12 Ų1244.8 Ų44.87%0.07324%0.237CC..Hα-helixtrans-78.3-48.3176.5179.60000110.3N16 A43 G141 G163 W167 L168 E169 V264N16-V165 HydrophobicContact CB-CG2 3.95Å; A43-V165 HydrophobicContact CB-CG1 4.48Å; G141-V165 WeakPolarHBondContact O-CA 3.11Å; G141-V165 VanDerWaalsContact O-CB 3.28Å; G141-V165 WeakPolarHBondContact O-CB 3.41Å; G141-V165 PolarHBondContact O-N 2.87Å; G163-V165 VanDerWaalsContact C-N 3.27Å; G163-V165 PolarHBondContact O-N 2.99Å; V165-W167 VanDerWaalsContact C-N 3.31Å; V165-W167 PolarHBondContact O-N 3.34Å; V165-L168 WeakPolarHBondContact O-CB 3.21Å; V165-L168 PolarHBondContact O-N 2.87Å; V165-L168 VanDerWaalsContact O-N 3.13Å; V165-E169 PolarHBondContact O-N 3.05Å; V165-E169 VanDerWaalsContact O-N 3.08Å; V165-V264 HydrophobicContact CG2-CG1 4.33Å
166T92.9Very high95.7Very high41 Ų4144.9 Ų44.925%0.25224%0.235SC..Hα-helixtrans-65.9-33.7179.755.20000112.2G141 A142 G163 R170G141-T166 PolarHBondContact O-N 3.46Å; G141-T166 VanDerWaalsContact O-N 3.17Å; A142-T166 HydrophobicContact CB-CG2 3.81Å; G163-T166 PolarHBondContact N-OG1 3.38Å; G163-T166 PolarHBondContact O-N 3.02Å; G163-T166 PolarHBondContact O-OG1 3.16Å; T166-R170 WeakPolarHBondContact O-CB 3.37Å; T166-R170 PolarHBondContact O-N 3.08Å
167W95.6Very high95.6Very high6 Ų644.8 Ų44.82%0.02323%0.234CC..Hα-helixtrans-69.3-36.5172.3-108.2-123000112.8M162 G163 V165 R170 Y171 A185 A188 A189 V192 I271M162-W167 HydrophobicContact CB-CD2 4.3Å; M162-W167 HydrophobicContact CB-CE3 3.76Å; M162-W167 HydrophobicContact CB-CH2 3.3Å; M162-W167 HydrophobicContact CB-CZ2 3.87Å; M162-W167 HydrophobicContact CB-CZ3 3.25Å; G163-W167 WeakPolarHBondContact O-CB 3.4Å; G163-W167 PolarHBondContact O-N 3.43Å; V165-W167 VanDerWaalsContact C-N 3.31Å; V165-W167 PolarHBondContact O-N 3.34Å; W167-R170 PolarHBondContact O-N 3.32Å; W167-Y171 HydrophobicContact CB-CD2 4.42Å; W167-Y171 AromaticContact CD1-CD2 3.7Å; W167-Y171 AromaticContact CD1-CE2 3.97Å; W167-Y171 HydrophobicContact CD2-CD2 4.26Å; W167-Y171 AromaticContact CD2-CE2 3.96Å; W167-Y171 HydrophobicContact CD2-CE2 3.96Å; W167-Y171 AromaticContact CE2-CE2 3.73Å; W167-Y171 AromaticContact CG-CD2 3.92Å; W167-Y171 HydrophobicContact CG-CD2 3.92Å; W167-Y171 HydrophobicContact CG-CE2 4.11Å; W167-Y171 HydrophobicContact CZ2-CE2 4.18Å; W167-Y171 AromaticContact NE1-CD2 3.9Å; W167-Y171 AromaticContact NE1-CE2 3.73Å; W167-Y171 PolarHBondContact O-N 2.89Å; W167-A185 PolarHBondContact NE1-O 3.16Å; W167-A188 HydrophobicContact CZ2-CB 4.12Å; W167-A189 HydrophobicContact CZ2-CB 4.05Å; W167-V192 HydrophobicContact CH2-CG2 4.12Å; W167-I271 HydrophobicContact CB-CD1 3.96Å; W167-I271 HydrophobicContact CB-CG1 4.42Å; W167-I271 HydrophobicContact CD2-CD1 4.06Å; W167-I271 HydrophobicContact CD2-CG1 4.16Å; W167-I271 HydrophobicContact CG-CD1 3.74Å; W167-I271 HydrophobicContact CG-CG1 3.81Å
168L95Very high95.6Very high27 Ų2743.7 Ų43.714%0.14123%0.234CC..Hα-helixtrans-61.1-49.5176.5-173.478.1000110.2C164 V165 R170 F172 A173 L249 L263 V264C164-L168 VanDerWaalsContact O-CB 3.32Å; C164-L168 WeakPolarHBondContact O-CB 3.17Å; C164-L168 PolarHBondContact O-N 3.13Å; V165-L168 WeakPolarHBondContact O-CB 3.21Å; V165-L168 PolarHBondContact O-N 2.87Å; V165-L168 VanDerWaalsContact O-N 3.13Å; L168-R170 PolarHBondContact O-N 3.34Å; L168-F172 HydrophobicContact CD1-CB 3.82Å; L168-F172 HydrophobicContact CD1-CG 4.41Å; L168-F172 HydrophobicContact CG-CB 4.45Å; L168-F172 CarbonylContact O-C 3.18Å; L168-F172 WeakPolarHBondContact O-CA 3.23Å; L168-F172 WeakPolarHBondContact O-CB 3.16Å; L168-F172 PolarHBondContact O-N 2.87Å; L168-A173 PolarHBondContact O-N 3.34Å; L168-L249 HydrophobicContact CD1-CD2 3.98Å; L168-L263 WeakPolarHBondContact CD1-O 2.74Å; L168-L263 WeakPolarHBondContact CD2-O 3.06Å; L168-V264 HydrophobicContact CD2-CG1 4.25Å
169E92.9Very high95.6Very high100 Ų10045.6 Ų45.647%0.46724%0.244SC..Hα-helixtrans-64.1-25.7179.3-69.7171.2179.900113.2V165 A173V165-E169 PolarHBondContact O-N 3.05Å; V165-E169 VanDerWaalsContact O-N 3.08Å; E169-A173 WeakPolarHBondContact O-CB 3.16Å
170R94.6Very high95.6Very high171 Ų17152 Ų5265%0.64527%0.27SS*.Hα-helixtrans-91.8-38.3-177-169.8170.5-177-172.1-0.4114.2T166 W167 L168T166-R170 WeakPolarHBondContact O-CB 3.37Å; T166-R170 PolarHBondContact O-N 3.08Å; W167-R170 PolarHBondContact O-N 3.32Å; L168-R170 PolarHBondContact O-N 3.34Å
171Y97.4Very high95.6Very high34 Ų3452.4 Ų52.413%0.13327%0.272CS..Hα-helixtrans-117.9-11.5-170.3-59.2-72.6000114.1W167 N181 A184 A185 A188W167-Y171 HydrophobicContact CB-CD2 4.42Å; W167-Y171 AromaticContact CD1-CD2 3.7Å; W167-Y171 AromaticContact CD1-CE2 3.97Å; W167-Y171 HydrophobicContact CD2-CD2 4.26Å; W167-Y171 AromaticContact CD2-CE2 3.96Å; W167-Y171 HydrophobicContact CD2-CE2 3.96Å; W167-Y171 AromaticContact CE2-CE2 3.73Å; W167-Y171 AromaticContact CG-CD2 3.92Å; W167-Y171 HydrophobicContact CG-CD2 3.92Å; W167-Y171 HydrophobicContact CG-CE2 4.11Å; W167-Y171 HydrophobicContact CZ2-CE2 4.18Å; W167-Y171 AromaticContact NE1-CD2 3.9Å; W167-Y171 AromaticContact NE1-CE2 3.73Å; W167-Y171 PolarHBondContact O-N 2.89Å; Y171-N181 WeakPolarHBondContact O-CB 3.31Å; Y171-N181 PolarHBondContact O-ND2 2.8Å; Y171-A184 HydrophobicContact CD1-CB 3.87Å; Y171-A184 HydrophobicContact CE1-CB 4.28Å; Y171-A185 HydrophobicContact CD1-CB 4.47Å; Y171-A185 HydrophobicContact CD2-CB 3.95Å; Y171-A185 HydrophobicContact CG-CB 3.8Å; Y171-A188 HydrophobicContact CE1-CB 4.09Å; Y171-A188 HydrophobicContact CE2-CB 4.03Å; Y171-A188 VanDerWaalsContact CZ-CB 3.42Å; Y171-A188 WeakPolarHBondContact OH-CB 3.29Å
172F96.6Very high95.7Very high2 Ų248 Ų481%0.00924%0.241CC..SBendtrans-131.926.2-179-58.6-87.9000111.3L168 D174 R175 N176 L177 N181 F182 A185 P266L168-F172 HydrophobicContact CD1-CB 3.82Å; L168-F172 HydrophobicContact CD1-CG 4.41Å; L168-F172 HydrophobicContact CG-CB 4.45Å; L168-F172 CarbonylContact O-C 3.18Å; L168-F172 WeakPolarHBondContact O-CA 3.23Å; L168-F172 WeakPolarHBondContact O-CB 3.16Å; L168-F172 PolarHBondContact O-N 2.87Å; F172-D174 PolarHBondContact O-N 3.12Å; F172-R175 PolarHBondContact O-N 3.17Å; F172-N176 WeakPolarHBondContact CD1-O 3.44Å; F172-L177 HydrophobicContact CD1-CD2 3.74Å; F172-L177 HydrophobicContact CE1-CD2 4Å; F172-N181 HydrophobicContact CD1-CB 3.81Å; F172-N181 HydrophobicContact CE1-CB 3.6Å; F172-N181 HydrophobicContact CZ-CB 4.28Å; F172-F182 HydrophobicContact CE1-CD2 4.01Å; F172-F182 HydrophobicContact CE1-CE2 4.03Å; F172-F182 HydrophobicContact CE1-CG 4.34Å; F172-F182 HydrophobicContact CE1-CZ 4.38Å; F172-F182 HydrophobicContact CZ-CD1 4.13Å; F172-F182 HydrophobicContact CZ-CD2 4.24Å; F172-F182 HydrophobicContact CZ-CE1 4.27Å; F172-F182 HydrophobicContact CZ-CE2 4.38Å; F172-F182 HydrophobicContact CZ-CG 4.11Å; F172-F182 HydrophobicContact CZ-CZ 4.4Å; F172-A185 HydrophobicContact CE2-CB 3.82Å; F172-A185 HydrophobicContact CZ-CB 4.21Å; F172-P266 HydrophobicContact CE1-CB 4.34Å; F172-P266 HydrophobicContact CZ-CB 4.45Å
173A93.8Very high95.9Very high72 Ų7251.1 Ų51.160%0.59526%0.258SS*.THydrogen-bonded Turntrans-62.1-33.2-178.100000112.8L168 E169 R175L168-A173 PolarHBondContact O-N 3.34Å; E169-A173 WeakPolarHBondContact O-CB 3.16Å; A173-R175 PolarHBondContact O-N 2.83Å
174D95Very high96Very high84 Ų8453.2 Ų53.245%0.44928%0.275SS..THydrogen-bonded Turntrans-78.41.4176.167.8-15.4000113.1F172 N176 N181F172-D174 PolarHBondContact O-N 3.12Å; D174-N176 PolarHBondContact O-N 3.13Å; D174-N176 VanDerWaalsContact O-N 3.1Å; D174-N176 PolarHBondContact OD1-N 3.37Å; D174-N176 VanDerWaalsContact OD1-N 3.16Å; D174-N176 WeakPolarHBondContact OD2-CB 3.42Å; D174-N176 PolarHBondContact OD2-ND2 3.28Å; D174-N181 PolarHBondContact OD1-ND2 3.35Å
175R95.3Very high96.2Very high90 Ų9052.8 Ų52.834%0.3427%0.273SS..  trans64.47.3-180-48.2-83.4-75.7178.5-2.9113.6F172 A173 L249 E250F172-R175 PolarHBondContact O-N 3.17Å; A173-R175 PolarHBondContact O-N 2.83Å; R175-L249 HydrophobicContact CB-CB 4.39Å; R175-L249 VanDerWaalsContact NH1-CD2 3.35Å; R175-L249 PolarHBondContact O-N 2.89Å; R175-E250 IonicContact CZ-OE1 2.89Å; R175-E250 IonicContact NE-OE1 3.52Å; R175-E250 PolarHBondContact NE-OE1 2.79Å; R175-E250 IonicContact NE-OE2 3.98Å; R175-E250 IonicContact NH2-OE1 3.66Å; R175-E250 PolarHBondContact NH2-OE1 3.18Å
176N96.5Very high96.5Very high64 Ų6452.7 Ų52.734%0.34227%0.271SS..BIsolated β-bridgetrans-83.2139.6176-68.2-37000110.4F172 D174F172-N176 WeakPolarHBondContact CD1-O 3.44Å; D174-N176 PolarHBondContact O-N 3.13Å; D174-N176 VanDerWaalsContact O-N 3.1Å; D174-N176 PolarHBondContact OD1-N 3.37Å; D174-N176 VanDerWaalsContact OD1-N 3.16Å; D174-N176 WeakPolarHBondContact OD2-CB 3.42Å; D174-N176 PolarHBondContact OD2-ND2 3.28Å
177L96.6Very high96.8Very high1 Ų156.5 Ų56.51%0.00528%0.284CS..  trans-103.850.6173.7-59.1-175000109.9F172 F182 A243 I244 G247 L249 L252 P266F172-L177 HydrophobicContact CD1-CD2 3.74Å; F172-L177 HydrophobicContact CE1-CD2 4Å; L177-F182 HydrophobicContact CB-CE2 4.37Å; L177-A243 WeakPolarHBondContact CB-O 3.4Å; L177-A243 HydrophobicContact CD1-CB 4.31Å; L177-A243 WeakPolarHBondContact CD1-O 3.32Å; L177-I244 VanDerWaalsContact O-CA 3.22Å; L177-I244 WeakPolarHBondContact O-CA 3.43Å; L177-I244 WeakPolarHBondContact O-CG1 3.42Å; L177-G247 PolarHBondContact N-O 2.99Å; L177-L249 HydrophobicContact CD2-CB 4.44Å; L177-L249 HydrophobicContact CD2-CD1 4.29Å; L177-L252 HydrophobicContact CD1-CB 4.22Å; L177-L252 HydrophobicContact CD1-CD1 4.06Å; L177-L252 HydrophobicContact CD1-CD2 4.38Å; L177-L252 HydrophobicContact CD1-CG 4.46Å; L177-P266 HydrophobicContact CD1-CG 4.14Å; L177-P266 HydrophobicContact CD2-CB 3.73Å; L177-P266 HydrophobicContact CD2-CG 3.71Å
178G96.9Very high96.9Very high24 Ų2456.7 Ų56.725%0.24729%0.287CS..  trans-75.8160.5179.700000113.3E180 N181 F182G178-E180 PolarHBondContact O-N 3.17Å; G178-N181 WeakPolarHBondContact CA-OD1 3.17Å; G178-N181 PolarHBondContact N-OD1 3.29Å; G178-N181 VanDerWaalsContact N-OD1 3.11Å; G178-N181 WeakPolarHBondContact O-CB 3.17Å; G178-N181 PolarHBondContact O-N 2.66Å; G178-F182 PolarHBondContact O-N 2.86Å
179Q98.1Very high97.1Very high77 Ų7755.4 Ų55.436%0.3628%0.28SS..Hα-helixtrans-55.7-41.2170.3-177.966.449.600111.1N181 F182 D183 I244Q179-N181 PolarHBondContact O-N 3.35Å; Q179-F182 PolarHBondContact O-N 2.98Å; Q179-D183 WeakPolarHBondContact CG-OD2 3.47Å; Q179-D183 PolarHBondContact NE2-OD1 3.24Å; Q179-D183 PolarHBondContact NE2-OD2 2.77Å; Q179-D183 WeakPolarHBondContact O-CB 3.34Å; Q179-D183 PolarHBondContact O-N 2.88Å; Q179-I244 HydrophobicContact CB-CD1 4.38Å
180E98Very high97.4Very high167 Ų16753.3 Ų53.378%0.7827%0.268SS*.Hα-helixtrans-62.1-40.7177.4-63.8-177.5178.200112.7G178 D183 A184G178-E180 PolarHBondContact O-N 3.17Å; E180-D183 PolarHBondContact O-N 3.32Å; E180-A184 VanDerWaalsContact O-CB 3.28Å; E180-A184 WeakPolarHBondContact O-CB 3.34Å; E180-A184 PolarHBondContact O-N 2.84Å
181N98.4Very high97.6Very high27 Ų2749.8 Ų49.814%0.14426%0.259CS..Hα-helixtrans-61.6-49176.8-60.288.6000110.9Y171 F172 D174 G178 Q179 A185Y171-N181 WeakPolarHBondContact O-CB 3.31Å; Y171-N181 PolarHBondContact O-ND2 2.8Å; F172-N181 HydrophobicContact CD1-CB 3.81Å; F172-N181 HydrophobicContact CE1-CB 3.6Å; F172-N181 HydrophobicContact CZ-CB 4.28Å; D174-N181 PolarHBondContact OD1-ND2 3.35Å; G178-N181 WeakPolarHBondContact CA-OD1 3.17Å; G178-N181 PolarHBondContact N-OD1 3.29Å; G178-N181 VanDerWaalsContact N-OD1 3.11Å; G178-N181 WeakPolarHBondContact O-CB 3.17Å; G178-N181 PolarHBondContact O-N 2.66Å; Q179-N181 PolarHBondContact O-N 3.35Å; N181-A185 VanDerWaalsContact O-CB 3.27Å; N181-A185 WeakPolarHBondContact O-CB 3.44Å; N181-A185 PolarHBondContact O-N 3.19Å
182F98.6Very high97.6Very high0 Ų050.3 Ų50.30%027%0.266CS..Hα-helixtrans-63.2-44.4177.3-86.9-82.7000112.2F172 L177 G178 Q179 A184 A185 E186 K240 A243 I244 P266 L269 A270F172-F182 HydrophobicContact CE1-CD2 4.01Å; F172-F182 HydrophobicContact CE1-CE2 4.03Å; F172-F182 HydrophobicContact CE1-CG 4.34Å; F172-F182 HydrophobicContact CE1-CZ 4.38Å; F172-F182 HydrophobicContact CZ-CD1 4.13Å; F172-F182 HydrophobicContact CZ-CD2 4.24Å; F172-F182 HydrophobicContact CZ-CE1 4.27Å; F172-F182 HydrophobicContact CZ-CE2 4.38Å; F172-F182 HydrophobicContact CZ-CG 4.11Å; F172-F182 HydrophobicContact CZ-CZ 4.4Å; L177-F182 HydrophobicContact CB-CE2 4.37Å; G178-F182 PolarHBondContact O-N 2.86Å; Q179-F182 PolarHBondContact O-N 2.98Å; F182-A184 PolarHBondContact O-N 2.82Å; F182-A185 PolarHBondContact O-N 2.91Å; F182-E186 WeakPolarHBondContact O-CB 3.46Å; F182-E186 VanDerWaalsContact O-CG 3.32Å; F182-E186 WeakPolarHBondContact O-CG 3.44Å; F182-E186 PolarHBondContact O-N 3.38Å; F182-K240 HydrophobicContact CB-CD 4.16Å; F182-K240 VanDerWaalsContact CB-CE 3.48Å; F182-K240 HydrophobicContact CB-CG 4.5Å; F182-K240 HydrophobicContact CD1-CD 3.98Å; F182-K240 HydrophobicContact CD1-CG 3.85Å; F182-K240 HydrophobicContact CD2-CG 4.35Å; F182-K240 HydrophobicContact CE1-CB 4.37Å; F182-K240 HydrophobicContact CE1-CG 4.09Å; F182-K240 HydrophobicContact CG-CD 4.13Å; F182-K240 HydrophobicContact CG-CG 3.99Å; F182-K240 HydrophobicContact CZ-CG 4.42Å; F182-A243 HydrophobicContact CE2-CB 4.16Å; F182-A243 HydrophobicContact CZ-CB 3.89Å; F182-I244 HydrophobicContact CD2-CD1 3.92Å; F182-I244 HydrophobicContact CD2-CG1 3.57Å; F182-I244 HydrophobicContact CE2-CD1 4.45Å; F182-I244 HydrophobicContact CE2-CG1 3.74Å; F182-I244 HydrophobicContact CG-CD1 4.46Å; F182-P266 HydrophobicContact CE1-CB 4.4Å; F182-P266 HydrophobicContact CZ-CB 3.85Å; F182-L269 HydrophobicContact CE1-CD2 4.26Å; F182-L269 HydrophobicContact CE1-CG 4.49Å; F182-A270 HydrophobicContact CD1-CB 4.02Å; F182-A270 HydrophobicContact CE1-CB 4.39Å
183D98.5Very high97.7Very high66 Ų6650.2 Ų50.235%0.35327%0.265SS..Hα-helixtrans-66.7-38.3-177.9-69.4-15000111.9Q179 E180 K187 K240Q179-D183 WeakPolarHBondContact CG-OD2 3.47Å; Q179-D183 PolarHBondContact NE2-OD1 3.24Å; Q179-D183 PolarHBondContact NE2-OD2 2.77Å; Q179-D183 WeakPolarHBondContact O-CB 3.34Å; Q179-D183 PolarHBondContact O-N 2.88Å; E180-D183 PolarHBondContact O-N 3.32Å; D183-K187 WeakPolarHBondContact O-CB 3.44Å; D183-K187 PolarHBondContact O-N 3Å; D183-K240 IonicContact OD1-NZ 3.72Å; D183-K240 PolarHBondContact OD1-NZ 3.31Å
184A98.6Very high97.9Very high44 Ų4453.6 Ų53.636%0.36426%0.263SS..Hα-helixtrans-64.4-46172.400000111.8Y171 E180 F182 K187 A188Y171-A184 HydrophobicContact CD1-CB 3.87Å; Y171-A184 HydrophobicContact CE1-CB 4.28Å; E180-A184 VanDerWaalsContact O-CB 3.28Å; E180-A184 WeakPolarHBondContact O-CB 3.34Å; E180-A184 PolarHBondContact O-N 2.84Å; F182-A184 PolarHBondContact O-N 2.82Å; A184-K187 PolarHBondContact O-N 3.25Å; A184-A188 WeakPolarHBondContact O-CB 3.35Å; A184-A188 PolarHBondContact O-N 3Å
185A98.7Very high98.1Very high0 Ų054.8 Ų54.80%028%0.275CS..Hα-helixtrans-61.8-45.4178.600000112.4W167 Y171 F172 N181 F182 A189 A270W167-A185 PolarHBondContact NE1-O 3.16Å; Y171-A185 HydrophobicContact CD1-CB 4.47Å; Y171-A185 HydrophobicContact CD2-CB 3.95Å; Y171-A185 HydrophobicContact CG-CB 3.8Å; F172-A185 HydrophobicContact CE2-CB 3.82Å; F172-A185 HydrophobicContact CZ-CB 4.21Å; N181-A185 VanDerWaalsContact O-CB 3.27Å; N181-A185 WeakPolarHBondContact O-CB 3.44Å; N181-A185 PolarHBondContact O-N 3.19Å; F182-A185 PolarHBondContact O-N 2.91Å; A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.04Å; A185-A270 HydrophobicContact CB-CB 3.75Å
186E98.7Very high98.2Very high10 Ų1051.1 Ų51.15%0.04726%0.262CS..Hα-helixtrans-68.6-43.1178-74.4175.2-142.500112.1F182 A188 A189 R190 K240 A270 I273F182-E186 WeakPolarHBondContact O-CB 3.46Å; F182-E186 VanDerWaalsContact O-CG 3.32Å; F182-E186 WeakPolarHBondContact O-CG 3.44Å; F182-E186 PolarHBondContact O-N 3.38Å; E186-A188 VanDerWaalsContact C-N 3.33Å; E186-A188 PolarHBondContact O-N 3.46Å; E186-A189 PolarHBondContact O-N 3.18Å; E186-R190 WeakPolarHBondContact O-CG 3.39Å; E186-R190 PolarHBondContact O-N 2.96Å; E186-R190 IonicContact OE2-NH1 2.68Å; E186-K240 VanDerWaalsContact OE1-CD 3.25Å; E186-K240 WeakPolarHBondContact OE1-CD 3.41Å; E186-K240 WeakPolarHBondContact OE1-CE 3.32Å; E186-K240 IonicContact OE1-NZ 3.79Å; E186-K240 PolarHBondContact OE1-NZ 3.28Å; E186-K240 IonicContact OE2-NZ 3.91Å; E186-A270 HydrophobicContact CG-CB 4.1Å; E186-I273 HydrophobicContact CG-CB 4.41Å; E186-I273 HydrophobicContact CG-CG2 4.16Å; E186-I273 WeakPolarHBondContact OE2-CG2 3.47Å
187K98.7Very high98.3Very high120 Ų12048 Ų4852%0.52225%0.246SC..Hα-helixtrans-58.3-47.8177.3-179.6-176.6174.7-172.90110.7D183 A184 R190 E191D183-K187 WeakPolarHBondContact O-CB 3.44Å; D183-K187 PolarHBondContact O-N 3Å; A184-K187 PolarHBondContact O-N 3.25Å; K187-R190 PolarHBondContact O-N 3.32Å; K187-E191 WeakPolarHBondContact CE-OE1 3.32Å; K187-E191 WeakPolarHBondContact O-CG 3.34Å; K187-E191 PolarHBondContact O-N 2.83Å
188A98.8Very high98.3Very high10 Ų1053.4 Ų53.48%0.08327%0.274CS..Hα-helixtrans-65.3-39.4178.400000112.7W167 Y171 A184 E186 R190 E191 V192W167-A188 HydrophobicContact CZ2-CB 4.12Å; Y171-A188 HydrophobicContact CE1-CB 4.09Å; Y171-A188 HydrophobicContact CE2-CB 4.03Å; Y171-A188 VanDerWaalsContact CZ-CB 3.42Å; Y171-A188 WeakPolarHBondContact OH-CB 3.29Å; A184-A188 WeakPolarHBondContact O-CB 3.35Å; A184-A188 PolarHBondContact O-N 3Å; E186-A188 VanDerWaalsContact C-N 3.33Å; E186-A188 PolarHBondContact O-N 3.46Å; A188-R190 VanDerWaalsContact C-N 3.34Å; A188-R190 PolarHBondContact O-N 3.15Å; A188-E191 PolarHBondContact O-N 3.49Å; A188-V192 WeakPolarHBondContact O-CG2 3.28Å; A188-V192 PolarHBondContact O-N 3.32Å
189A98.8Very high98.4Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-62.8-41.7175.700000111.3M162 W167 A185 E186 E191 V192 L193 A274M162-A189 HydrophobicContact SD-CB 4.45Å; W167-A189 HydrophobicContact CZ2-CB 4.05Å; A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.04Å; E186-A189 PolarHBondContact O-N 3.18Å; A189-E191 PolarHBondContact O-N 3.17Å; A189-V192 PolarHBondContact O-N 2.86Å; A189-L193 WeakPolarHBondContact O-CB 3.37Å; A189-L193 WeakPolarHBondContact O-CD1 3.16Å; A189-L193 VanDerWaalsContact O-CG 3.3Å; A189-L193 WeakPolarHBondContact O-CG 2.84Å; A189-L193 PolarHBondContact O-N 3.26Å; A189-A274 HydrophobicContact CB-CB 3.46Å; A189-A274 VanDerWaalsContact CB-CB 3.46Å
190R98.6Very high98.4Very high57 Ų5752.7 Ų52.722%0.21527%0.265CS..Hα-helixtrans-61.4-41.2173-71.3-170.1-62.2-92.5-0.3112.3E186 K187 A188 V192 L193 R194 A274E186-R190 WeakPolarHBondContact O-CG 3.39Å; E186-R190 PolarHBondContact O-N 2.96Å; E186-R190 IonicContact OE2-NH1 2.68Å; K187-R190 PolarHBondContact O-N 3.32Å; A188-R190 VanDerWaalsContact C-N 3.34Å; A188-R190 PolarHBondContact O-N 3.15Å; R190-V192 VanDerWaalsContact C-N 3.3Å; R190-V192 PolarHBondContact O-N 2.91Å; R190-L193 PolarHBondContact O-N 3.22Å; R190-R194 VanDerWaalsContact O-CG 3.28Å; R190-R194 WeakPolarHBondContact O-CG 3.45Å; R190-R194 PolarHBondContact O-N 2.87Å; R190-A274 HydrophobicContact CG-CB 3.8Å
191E98.5Very high98.4Very high96 Ų9648.7 Ų48.745%0.44924%0.243SC..Hα-helixtrans-61-38176.2-73.6169.8-176.200112.5K187 A188 A189 P195K187-E191 WeakPolarHBondContact CE-OE1 3.32Å; K187-E191 WeakPolarHBondContact O-CG 3.34Å; K187-E191 PolarHBondContact O-N 2.83Å; A188-E191 PolarHBondContact O-N 3.49Å; A189-E191 PolarHBondContact O-N 3.17Å; E191-P195 WeakPolarHBondContact O-CD 3.38Å
192V98.5Very high98.3Very high45 Ų4556.6 Ų56.627%0.27327%0.272SS..Hα-helixtrans-71.3-33.6174.4174.50000112.3L160 M162 W167 A188 A189 R190 P195L160-V192 HydrophobicContact CB-CG1 3.82Å; L160-V192 HydrophobicContact CD1-CG1 4.19Å; L160-V192 HydrophobicContact CD2-CG1 4.47Å; L160-V192 HydrophobicContact CG-CG1 4.38Å; M162-V192 HydrophobicContact CB-CG1 4.43Å; M162-V192 HydrophobicContact CG-CG1 4.33Å; M162-V192 HydrophobicContact SD-CB 4.17Å; M162-V192 HydrophobicContact SD-CG1 3.86Å; W167-V192 HydrophobicContact CH2-CG2 4.12Å; A188-V192 WeakPolarHBondContact O-CG2 3.28Å; A188-V192 PolarHBondContact O-N 3.32Å; A189-V192 PolarHBondContact O-N 2.86Å; R190-V192 VanDerWaalsContact C-N 3.3Å; R190-V192 PolarHBondContact O-N 2.91Å; V192-P195 WeakPolarHBondContact O-CD 3.26Å
193L98.5Very high98.2Very high0 Ų059.6 Ų59.60%029%0.285CS..Hα-helixtrans-76.1-37.2-179.9-78.2161.5000113.9L146 L160 M162 A189 R190 P195 V196 A197 A274 I275 E278L146-L193 HydrophobicContact CD1-CD2 3.42Å; L146-L193 VanDerWaalsContact CD1-CD2 3.42Å; L160-L193 HydrophobicContact CD1-CD2 3.72Å; L160-L193 HydrophobicContact CD1-CG 4.29Å; M162-L193 HydrophobicContact CE-CD1 4.41Å; M162-L193 HydrophobicContact CE-CD2 3.85Å; M162-L193 HydrophobicContact CE-CG 3.97Å; M162-L193 HydrophobicContact SD-CG 4.36Å; A189-L193 WeakPolarHBondContact O-CB 3.37Å; A189-L193 WeakPolarHBondContact O-CD1 3.16Å; A189-L193 VanDerWaalsContact O-CG 3.3Å; A189-L193 WeakPolarHBondContact O-CG 2.84Å; A189-L193 PolarHBondContact O-N 3.26Å; R190-L193 PolarHBondContact O-N 3.22Å; L193-P195 VanDerWaalsContact C-CD 3.42Å; L193-P195 VanDerWaalsContact C-N 3.35Å; L193-V196 VanDerWaalsContact O-CG2 3.24Å; L193-V196 WeakPolarHBondContact O-CG2 3.48Å; L193-V196 PolarHBondContact O-N 2.96Å; L193-A197 PolarHBondContact O-N 3Å; L193-A274 HydrophobicContact CD1-CB 4.07Å; L193-I275 HydrophobicContact CD1-CB 4.41Å; L193-I275 HydrophobicContact CD1-CG1 3.78Å; L193-I275 HydrophobicContact CD2-CG1 4.08Å; L193-E278 HydrophobicContact CB-CB 4.31Å; L193-E278 HydrophobicContact CB-CG 3.94Å; L193-E278 HydrophobicContact CD1-CB 4.2Å
194R98Very high98Very high144 Ų14457.3 Ų57.354%0.54328%0.278SS..Hα-helixtrans-48-45.2-173.3-85.7169.5-176.3179.4-0.9114.7R190 V196 A197 E278R190-R194 VanDerWaalsContact O-CG 3.28Å; R190-R194 WeakPolarHBondContact O-CG 3.45Å; R190-R194 PolarHBondContact O-N 2.87Å; R194-V196 PolarHBondContact O-N 3.39Å; R194-A197 PolarHBondContact O-N 2.76Å; R194-E278 WeakPolarHBondContact CG-OE1 3.43Å
195P98Very high98Very high108 Ų10857.7 Ų57.770%0.70127%0.27SS*.Hα-helixtrans-61.6-24.4-179.1-24.535.5000114.6E191 V192 L193E191-P195 WeakPolarHBondContact O-CD 3.38Å; V192-P195 WeakPolarHBondContact O-CD 3.26Å; L193-P195 VanDerWaalsContact C-CD 3.42Å; L193-P195 VanDerWaalsContact C-N 3.35Å
196V98.1Very high97.8Very high13 Ų1365.2 Ų65.28%0.07930%0.302CS..Hα-helixtrans-109.4-11.5-176.7-55.30000113.2L146 F158 L160 L193 R194 D198 E199 L200L146-V196 HydrophobicContact CD1-CG2 4.42Å; F158-V196 HydrophobicContact CD1-CB 3.98Å; F158-V196 HydrophobicContact CD1-CG1 3.42Å; F158-V196 VanDerWaalsContact CD1-CG1 3.42Å; F158-V196 HydrophobicContact CD2-CB 3.86Å; F158-V196 HydrophobicContact CD2-CG1 4.24Å; F158-V196 HydrophobicContact CD2-CG2 4.37Å; F158-V196 HydrophobicContact CE1-CB 3.93Å; F158-V196 HydrophobicContact CE1-CG1 3.48Å; F158-V196 VanDerWaalsContact CE1-CG1 3.48Å; F158-V196 HydrophobicContact CE2-CB 3.81Å; F158-V196 HydrophobicContact CE2-CG1 4.29Å; F158-V196 HydrophobicContact CG-CB 3.92Å; F158-V196 HydrophobicContact CG-CG1 3.8Å; F158-V196 HydrophobicContact CG-CG2 4.39Å; F158-V196 HydrophobicContact CZ-CB 3.83Å; F158-V196 HydrophobicContact CZ-CG1 3.92Å; L160-V196 HydrophobicContact CD1-CG2 3.92Å; L160-V196 HydrophobicContact CD2-CG1 4.06Å; L160-V196 HydrophobicContact CD2-CG2 4.12Å; L193-V196 VanDerWaalsContact O-CG2 3.24Å; L193-V196 WeakPolarHBondContact O-CG2 3.48Å; L193-V196 PolarHBondContact O-N 2.96Å; R194-V196 PolarHBondContact O-N 3.39Å; V196-D198 PolarHBondContact O-N 2.87Å; V196-E199 PolarHBondContact O-N 3.46Å; V196-L200 HydrophobicContact CG2-CD1 4.03Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 2.91Å; V196-L200 VanDerWaalsContact O-N 3.12Å
197A98.1Very high97.6Very high0 Ų066.8 Ų66.80%031%0.312CS..Hα-helixtrans-64.6-39.4-172.500000112.8L193 R194 L200 R201 E278 L279L193-A197 PolarHBondContact O-N 3Å; R194-A197 PolarHBondContact O-N 2.76Å; A197-L200 PolarHBondContact O-N 3.09Å; A197-R201 WeakPolarHBondContact O-CB 3.48Å; A197-R201 VanDerWaalsContact O-CG 3.3Å; A197-R201 WeakPolarHBondContact O-CG 3.45Å; A197-R201 PolarHBondContact O-N 2.93Å; A197-E278 HydrophobicContact CB-CG 3.84Å; A197-L279 HydrophobicContact CB-CD2 3.94Å
198D97.6Very high97.6Very high113 Ų11361.2 Ų61.260%0.60429%0.289SS*.Hα-helixtrans-62.9-43177.6-78.9-36.8000112.2V196 R201 Y202V196-D198 PolarHBondContact O-N 2.87Å; D198-R201 PolarHBondContact O-N 2.88Å; D198-R201 IonicContact OD1-CZ 2.83Å; D198-R201 IonicContact OD1-NE 2.86Å; D198-R201 IonicContact OD1-NH2 3.35Å; D198-R201 PolarHBondContact OD1-NH2 3.05Å; D198-Y202 VanDerWaalsContact O-CB 3.26Å; D198-Y202 WeakPolarHBondContact O-CB 3.4Å; D198-Y202 PolarHBondContact O-N 2.88Å
199E98.3Very high97.5Very high86 Ų8660.8 Ų60.840%0.40229%0.285SS..Hα-helixtrans-66.6-44.9179.3-166.2-175.2129.600111.3S156 F158 V196 R201 Y202 H203S156-E199 WeakPolarHBondContact CB-OE1 3.14Å; S156-E199 PolarHBondContact OG-OE1 3.22Å; F158-E199 HydrophobicContact CE2-CB 4.32Å; F158-E199 HydrophobicContact CZ-CB 4.16Å; F158-E199 VanDerWaalsContact CZ-CD 3.5Å; F158-E199 HydrophobicContact CZ-CG 4.32Å; F158-E199 WeakPolarHBondContact CZ-OE2 3.45Å; V196-E199 PolarHBondContact O-N 3.46Å; E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 PolarHBondContact O-N 3.15Å; E199-Y202 WeakPolarHBondContact O-CB 3.25Å; E199-Y202 PolarHBondContact O-N 3.12Å; E199-H203 PolarHBondContact O-CD2 3.33Å; E199-H203 PolarHBondContact O-N 3.35Å; E199-H203 VanDerWaalsContact O-N 3.09Å
200L98.3Very high97.5Very high0 Ų060.8 Ų60.80%029%0.285CS..Hα-helixtrans-58.1-47.3175.2-70.2168.3000110.9L135 L146 T148 F158 V196 A197 H203 G204 W205 L279L135-L200 HydrophobicContact CD1-CD2 4.19Å; L146-L200 HydrophobicContact CB-CD1 3.95Å; L146-L200 HydrophobicContact CB-CD2 4.31Å; L146-L200 HydrophobicContact CD1-CD1 3.81Å; L146-L200 HydrophobicContact CG-CD1 4.45Å; T148-L200 HydrophobicContact CG2-CB 4.49Å; T148-L200 HydrophobicContact CG2-CD2 3.72Å; F158-L200 HydrophobicContact CD2-CD1 4.3Å; F158-L200 HydrophobicContact CD2-CD2 3.92Å; F158-L200 HydrophobicContact CD2-CG 4.02Å; F158-L200 HydrophobicContact CE2-CD2 4.1Å; F158-L200 HydrophobicContact CE2-CG 3.98Å; V196-L200 HydrophobicContact CG2-CD1 4.03Å; V196-L200 WeakPolarHBondContact O-CG 3.41Å; V196-L200 PolarHBondContact O-N 2.91Å; V196-L200 VanDerWaalsContact O-N 3.12Å; A197-L200 PolarHBondContact O-N 3.09Å; L200-H203 PolarHBondContact O-N 3.43Å; L200-G204 PolarHBondContact O-N 3.44Å; L200-W205 HydrophobicContact CB-CZ3 4.26Å; L200-W205 WeakPolarHBondContact O-CZ3 3.38Å; L200-L279 HydrophobicContact CB-CD2 4.08Å; L200-L279 HydrophobicContact CD1-CD1 4.07Å; L200-L279 HydrophobicContact CD1-CD2 3.99Å
201R97.5Very high97.3Very high84 Ų8458.9 Ų58.932%0.31728%0.282SS..Hα-helixtrans-66.6-35.2178.4-72.9-172.1-59-106.81112.8A197 D198 E199 G204 W205 E278 L279A197-R201 WeakPolarHBondContact O-CB 3.48Å; A197-R201 VanDerWaalsContact O-CG 3.3Å; A197-R201 WeakPolarHBondContact O-CG 3.45Å; A197-R201 PolarHBondContact O-N 2.93Å; D198-R201 PolarHBondContact O-N 2.88Å; D198-R201 IonicContact OD1-CZ 2.83Å; D198-R201 IonicContact OD1-NE 2.86Å; D198-R201 IonicContact OD1-NH2 3.35Å; D198-R201 PolarHBondContact OD1-NH2 3.05Å; E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 PolarHBondContact O-N 3.15Å; R201-G204 PolarHBondContact O-N 2.95Å; R201-W205 HydrophobicContact CG-CH2 4.38Å; R201-E278 PolarHBondContact NH1-O 3.08Å; R201-L279 HydrophobicContact CG-CD2 4.49Å
202Y97.1Very high97Very high192 Ų19254.7 Ų54.775%0.75326%0.263SS*.Hα-helixtrans-61.6-46.4176.8173.5-100.8000111.5D198 E199D198-Y202 VanDerWaalsContact O-CB 3.26Å; D198-Y202 WeakPolarHBondContact O-CB 3.4Å; D198-Y202 PolarHBondContact O-N 2.88Å; E199-Y202 WeakPolarHBondContact O-CB 3.25Å; E199-Y202 PolarHBondContact O-N 3.12Å
203H96.8Very high96.8Very high63 Ų6354.5 Ų54.529%0.29227%0.27SS..Hα-helixtrans-71.6-34.6174.9-74.9-67.7000112.8Q133 T148 S156 E199 L200Q133-H203 PolarHBondContact NE2-O 3.34Å; T148-H203 HydrophobicContact CG2-CB 4.41Å; S156-H203 PolarHBondContact OG-CD2 2.87Å; E199-H203 PolarHBondContact O-CD2 3.33Å; E199-H203 PolarHBondContact O-N 3.35Å; E199-H203 VanDerWaalsContact O-N 3.09Å; L200-H203 PolarHBondContact O-N 3.43Å
204G94.7Very high96.7Very high18 Ų1854.8 Ų54.819%0.18627%0.272CS..  trans65.2175.7174.500000114.4Q133 L200 R201Q133-G204 PolarHBondContact NE2-O 2.93Å; L200-G204 PolarHBondContact O-N 3.44Å; R201-G204 PolarHBondContact O-N 2.95Å
205W97.1Very high96.6Very high52 Ų5248 Ų4820%0.19725%0.246CC..  trans-154.2155.6179.253.789.5000110.9L135 T148 L200 R201 L279 I281L135-W205 HydrophobicContact CB-CB 3.85Å; L135-W205 HydrophobicContact CB-CD2 3.41Å; L135-W205 VanDerWaalsContact CB-CD2 3.41Å; L135-W205 HydrophobicContact CB-CE3 3.68Å; L135-W205 HydrophobicContact CB-CG 3.46Å; L135-W205 VanDerWaalsContact CB-CG 3.46Å; L135-W205 HydrophobicContact CB-CZ3 4.47Å; L135-W205 HydrophobicContact CD1-CE3 4.46Å; L135-W205 HydrophobicContact CD2-CD2 3.82Å; L135-W205 HydrophobicContact CD2-CE3 3.93Å; L135-W205 HydrophobicContact CD2-CH2 3.81Å; L135-W205 HydrophobicContact CD2-CZ2 3.64Å; L135-W205 HydrophobicContact CD2-CZ3 3.92Å; L135-W205 HydrophobicContact CG-CD2 4.2Å; L135-W205 HydrophobicContact CG-CE3 4.23Å; T148-W205 HydrophobicContact CG2-CE3 3.97Å; T148-W205 HydrophobicContact CG2-CZ3 4.39Å; L200-W205 HydrophobicContact CB-CZ3 4.26Å; L200-W205 WeakPolarHBondContact O-CZ3 3.38Å; R201-W205 HydrophobicContact CG-CH2 4.38Å; W205-L279 HydrophobicContact CH2-CB 3.78Å; W205-L279 HydrophobicContact CH2-CD1 4.35Å; W205-L279 HydrophobicContact CH2-CD2 4.44Å; W205-L279 HydrophobicContact CH2-CG 4.41Å; W205-L279 HydrophobicContact CZ2-CB 4.03Å; W205-L279 WeakPolarHBondContact CZ2-O 3.46Å; W205-I281 HydrophobicContact CZ2-CG1 3.86Å
206K95.5Very high96.5Very high158 Ų15845.8 Ų45.869%0.68723%0.226SC*.SBendtrans-93.7-31.9169.7-69.8-177.7-179.3-177.70111.8A131 Q133A131-K206 HydrophobicContact CB-CB 3.75Å; A131-K206 HydrophobicContact CB-CD 4.16Å; Q133-K206 HydrophobicContact CB-CB 4.47Å; Q133-K206 HydrophobicContact CB-CD 4.46Å; Q133-K206 HydrophobicContact CB-CG 4.19Å; Q133-K206 PolarHBondContact O-N 3.18Å
207V95Very high96.4Very high43 Ų4345.2 Ų45.226%0.26122%0.223SC..EExtended strand (participates in β ladder)trans-133.4143.5177.5-64.10000110.2A131 Q133 R134 L135A131-V207 HydrophobicContact CB-CG1 3.97Å; A131-V207 HydrophobicContact CB-CG2 4.26Å; Q133-V207 PolarHBondContact O-N 2.84Å; R134-V207 WeakPolarHBondContact CA-O 3.33Å; R134-V207 HydrophobicContact CB-CG2 4.34Å; R134-V207 HydrophobicContact CG-CG2 3.7Å; L135-V207 PolarHBondContact N-O 3.37Å
208C97.8Very high96.3Very high3 Ų345.3 Ų45.32%0.0222%0.223CC..EExtended strand (participates in β ladder)trans-109.6133.9170.9-175.30000109.2L135 I281 C283 M284 T285L135-C208 HydrophobicContact CB-CB 4.39Å; L135-C208 CarbonylContact O-C 3.59Å; L135-C208 VanDerWaalsContact O-CA 3.31Å; L135-C208 WeakPolarHBondContact O-CA 3.46Å; C208-I281 HydrophobicContact CB-CG2 3.89Å; C208-C283 WeakPolarHBondContact CB-O 3.24Å; C208-M284 HydrophobicContact CB-CB 4.41Å; C208-M284 VanDerWaalsContact O-CA 3.27Å; C208-M284 WeakPolarHBondContact O-CA 3.42Å; C208-M284 WeakPolarHBondContact SG-CE 3.3Å; C208-T285 PolarHBondContact O-N 3.45Å; C208-T285 VanDerWaalsContact O-N 3.08Å
209V97.6Very high96.1Very high2 Ų240 Ų401%0.01220%0.195CC..EExtended strand (participates in β ladder)trans-130.9136.4-176.8-59.90000110.1V124 T128 L135 V136 V137 T285 A287V124-V209 HydrophobicContact CG1-CG2 3.66Å; T128-V209 HydrophobicContact CG2-CB 4.43Å; T128-V209 HydrophobicContact CG2-CG1 3.9Å; L135-V209 PolarHBondContact O-N 2.92Å; V136-V209 WeakPolarHBondContact CA-O 3.49Å; V136-V209 HydrophobicContact CB-CG2 4.3Å; V136-V209 HydrophobicContact CG1-CG2 4.46Å; V136-V209 HydrophobicContact CG2-CG2 3.73Å; V137-V209 PolarHBondContact N-O 3.23Å; V209-T285 CarbonylContact C-O 3.51Å; V209-T285 WeakPolarHBondContact CA-O 3.32Å; V209-A287 HydrophobicContact CB-CB 4.42Å
210G97.9Very high95.9Very high0 Ų038.4 Ų38.40%019%0.187CC..EExtended strand (participates in β ladder)trans-108.5131.2-178.500000112.1V137 T285 A287V137-G210 CarbonylContact O-C 3.51Å; V137-G210 VanDerWaalsContact O-CA 3.26Å; V137-G210 WeakPolarHBondContact O-CA 3.29Å; G210-T285 PolarHBondContact N-O 2.87Å; G210-A287 WeakPolarHBondContact O-CB 3.43Å; G210-A287 PolarHBondContact O-N 2.84Å
211A94Very high95.7Very high17 Ų1738.4 Ų38.414%0.1419%0.187CC..  trans-114.122.9-17200000114.1I120 V124 V137 D138 A287 A290I120-A211 HydrophobicContact CG2-CB 4.19Å; V124-A211 HydrophobicContact CG2-CB 4.41Å; V137-A211 PolarHBondContact O-N 2.81Å; D138-A211 HydrophobicContact CB-CB 4.18Å; A211-A287 HydrophobicContact CB-CB 4.05Å; A211-A290 HydrophobicContact CB-CB 3.9Å
212S93.4Very high95.5Very high8 Ų834.5 Ų34.56%0.05617%0.173CC..SBendtrans-117166.8-165.880.50000115.6D138 I139 T214 V215 Q216D138-S212 WeakPolarHBondContact OD1-CA 3.45Å; D138-S212 WeakPolarHBondContact OD1-CB 3.48Å; I139-S212 WeakPolarHBondContact O-CB 3.4Å; S212-T214 PolarHBondContact O-N 3.37Å; S212-T214 PolarHBondContact OG-N 2.78Å; S212-V215 PolarHBondContact O-N 3.36Å; S212-V215 WeakPolarHBondContact OG-CG2 3.29Å; S212-V215 PolarHBondContact OG-N 2.87Å; S212-Q216 WeakPolarHBondContact O-CB 3.47Å; S212-Q216 PolarHBondContact O-N 3.07Å
213G93.4Very high95.1Very high40 Ų4028.4 Ų28.441%0.41215%0.152SC..Hα-helixtrans-59.1-34.9171.200000113.2A217 R261G213-A217 WeakPolarHBondContact O-CB 3.42Å; G213-A217 PolarHBondContact O-N 2.99Å; G213-R261 PolarHBondContact O-NH1 3.41Å
214T96.1Very high94.8Very high7 Ų727.8 Ų27.84%0.04316%0.158CC..Hα-helixtrans-66.5-46.5176.8-54.10000111S212 Q216 A217 L218S212-T214 PolarHBondContact O-N 3.37Å; S212-T214 PolarHBondContact OG-N 2.78Å; T214-Q216 PolarHBondContact O-N 2.92Å; T214-A217 VanDerWaalsContact O-CB 3.31Å; T214-A217 WeakPolarHBondContact O-CB 3.36Å; T214-A217 PolarHBondContact O-N 2.7Å; T214-A217 VanDerWaalsContact O-N 3.15Å; T214-L218 HydrophobicContact CG2-CD1 4.46Å; T214-L218 WeakPolarHBondContact O-CG 3.49Å; T214-L218 PolarHBondContact O-N 2.89Å
215V97.1Very high94.7Very high0 Ų029.5 Ų29.50%016%0.161CC..Hα-helixtrans-66.8-39.6-179175.70000111S212 A217 L218 Q219 I231 L272 M284 L286S212-V215 PolarHBondContact O-N 3.36Å; S212-V215 WeakPolarHBondContact OG-CG2 3.29Å; S212-V215 PolarHBondContact OG-N 2.87Å; V215-A217 VanDerWaalsContact C-N 3.32Å; V215-A217 PolarHBondContact O-N 3.42Å; V215-L218 WeakPolarHBondContact O-CB 3.29Å; V215-L218 PolarHBondContact O-N 3.26Å; V215-Q219 PolarHBondContact O-N 2.83Å; V215-I231 HydrophobicContact CG1-CD1 3.78Å; V215-L272 HydrophobicContact CG2-CD2 4.4Å; V215-M284 HydrophobicContact CG1-SD 4.45Å; V215-M284 HydrophobicContact CG2-SD 3.9Å; V215-L286 HydrophobicContact CB-CD1 4.49Å; V215-L286 HydrophobicContact CG1-CB 4.33Å; V215-L286 HydrophobicContact CG1-CD1 3.87Å
216Q95.2Very high94.1Very high63 Ų6329.8 Ų29.829%0.29418%0.18SC..Hα-helixtrans-62.8-38.4172.9-179.267.443.700112.1S212 T214 L218 Q219 E220 L286S212-Q216 WeakPolarHBondContact O-CB 3.47Å; S212-Q216 PolarHBondContact O-N 3.07Å; T214-Q216 PolarHBondContact O-N 2.92Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-Q219 PolarHBondContact O-N 2.88Å; Q216-E220 WeakPolarHBondContact CG-OE1 3.32Å; Q216-E220 PolarHBondContact NE2-OE1 2.99Å; Q216-E220 WeakPolarHBondContact O-CG 3.42Å; Q216-E220 PolarHBondContact O-N 2.9Å; Q216-L286 HydrophobicContact CB-CD1 4.24Å
217A95.8Very high93.8Very high1 Ų125 Ų251%0.00816%0.16CC..Hα-helixtrans-62.9-42.517500000111.4G213 T214 V215 Q219 E220 I221 L257 F265G213-A217 WeakPolarHBondContact O-CB 3.42Å; G213-A217 PolarHBondContact O-N 2.99Å; T214-A217 VanDerWaalsContact O-CB 3.31Å; T214-A217 WeakPolarHBondContact O-CB 3.36Å; T214-A217 PolarHBondContact O-N 2.7Å; T214-A217 VanDerWaalsContact O-N 3.15Å; V215-A217 VanDerWaalsContact C-N 3.32Å; V215-A217 PolarHBondContact O-N 3.42Å; A217-Q219 VanDerWaalsContact C-N 3.35Å; A217-Q219 PolarHBondContact O-N 2.91Å; A217-E220 PolarHBondContact O-N 2.84Å; A217-I221 WeakPolarHBondContact O-CD1 3.34Å; A217-I221 VanDerWaalsContact O-CG1 3.24Å; A217-I221 WeakPolarHBondContact O-CG1 3.41Å; A217-I221 PolarHBondContact O-N 2.94Å; A217-L257 HydrophobicContact CB-CD1 4.04Å; A217-F265 HydrophobicContact CB-CD2 3.72Å; A217-F265 HydrophobicContact CB-CE2 3.87Å
218L96.4Very high93.5Very high1 Ų124.6 Ų24.61%0.00516%0.157CC..Hα-helixtrans-61.3-42.9176.4-71.4165.6000111.7T214 V215 Q216 I221 M222 I231 L236 L239 F265 L272T214-L218 HydrophobicContact CG2-CD1 4.46Å; T214-L218 WeakPolarHBondContact O-CG 3.49Å; T214-L218 PolarHBondContact O-N 2.89Å; V215-L218 WeakPolarHBondContact O-CB 3.29Å; V215-L218 PolarHBondContact O-N 3.26Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; L218-I221 PolarHBondContact O-N 2.89Å; L218-M222 HydrophobicContact CB-SD 4.4Å; L218-M222 WeakPolarHBondContact O-CB 3.1Å; L218-M222 WeakPolarHBondContact O-CG 3.39Å; L218-M222 PolarHBondContact O-N 2.82Å; L218-M222 VanDerWaalsContact O-SD 3.41Å; L218-I231 HydrophobicContact CB-CD1 3.94Å; L218-I231 HydrophobicContact CB-CG1 4.33Å; L218-I231 HydrophobicContact CD1-CD1 4.06Å; L218-I231 HydrophobicContact CD1-CG2 4.33Å; L218-L236 HydrophobicContact CD1-CD2 3.59Å; L218-L236 HydrophobicContact CD2-CD2 3.86Å; L218-L236 HydrophobicContact CG-CD2 4.4Å; L218-L239 HydrophobicContact CD2-CD1 3.3Å; L218-F265 HydrophobicContact CD2-CE2 3.89Å; L218-F265 HydrophobicContact CD2-CZ 3.7Å; L218-F265 HydrophobicContact CG-CE2 3.98Å; L218-F265 HydrophobicContact CG-CZ 4.32Å; L218-L272 HydrophobicContact CD1-CD2 3.28Å
219Q93.5Very high93.2Very high1 Ų124.5 Ų24.51%0.00516%0.156CC..Hα-helixtrans-61-44.8173.8-79.8-62.7-12.800112.5V215 Q216 A217 I221 M222 M223 E229 L286V215-Q219 PolarHBondContact O-N 2.83Å; Q216-Q219 PolarHBondContact O-N 2.88Å; A217-Q219 VanDerWaalsContact C-N 3.35Å; A217-Q219 PolarHBondContact O-N 2.91Å; Q219-I221 VanDerWaalsContact C-N 3.32Å; Q219-I221 PolarHBondContact O-N 2.8Å; Q219-M222 PolarHBondContact O-N 2.9Å; Q219-M223 WeakPolarHBondContact O-CB 3.37Å; Q219-M223 VanDerWaalsContact O-CG 3.29Å; Q219-M223 WeakPolarHBondContact O-CG 3.26Å; Q219-M223 PolarHBondContact O-N 3.02Å; Q219-E229 PolarHBondContact NE2-O 3.47Å; Q219-L286 HydrophobicContact CB-CD2 4.44Å; Q219-L286 HydrophobicContact CG-CB 3.62Å; Q219-L286 HydrophobicContact CG-CD2 3.98Å; Q219-L286 HydrophobicContact CG-CG 4.28Å
220E93.5Very high93Very high53 Ų5328.1 Ų28.125%0.24817%0.17CC..Hα-helixtrans-59.8-43.7177.8-71.3163.4-167.500111.2Q216 A217 A224 G256 R261Q216-E220 WeakPolarHBondContact CG-OE1 3.32Å; Q216-E220 PolarHBondContact NE2-OE1 2.99Å; Q216-E220 WeakPolarHBondContact O-CG 3.42Å; Q216-E220 PolarHBondContact O-N 2.9Å; A217-E220 PolarHBondContact O-N 2.84Å; E220-A224 WeakPolarHBondContact O-CB 3.25Å; E220-A224 PolarHBondContact O-N 3.18Å; E220-G256 WeakPolarHBondContact CB-O 3.25Å; E220-R261 IonicContact OE1-CZ 2.87Å; E220-R261 IonicContact OE1-NE 2.74Å; E220-R261 IonicContact OE1-NH2 3.95Å; E220-R261 PolarHBondContact OE1-NH2 2.64Å; E220-R261 WeakPolarHBondContact OE2-CD 3.26Å; E220-R261 IonicContact OE2-CZ 3.76Å; E220-R261 IonicContact OE2-NE 3.41Å; E220-R261 PolarHBondContact OE2-NE 3.28Å; E220-R261 IonicContact OE2-NH2 2.67Å
221I95Very high93Very high0 Ų028.1 Ų28.10%017%0.17CC..Hα-helixtrans-60.6-52.1174.3-68.9164.1000111.3A217 L218 Q219 M223 A224 Q225 L239 I254 L257 F265A217-I221 WeakPolarHBondContact O-CD1 3.34Å; A217-I221 VanDerWaalsContact O-CG1 3.24Å; A217-I221 WeakPolarHBondContact O-CG1 3.41Å; A217-I221 PolarHBondContact O-N 2.94Å; L218-I221 PolarHBondContact O-N 2.89Å; Q219-I221 VanDerWaalsContact C-N 3.32Å; Q219-I221 PolarHBondContact O-N 2.8Å; I221-M223 PolarHBondContact O-N 3.29Å; I221-A224 PolarHBondContact O-N 3.08Å; I221-Q225 WeakPolarHBondContact O-CB 3.42Å; I221-Q225 VanDerWaalsContact O-CG 3.31Å; I221-Q225 WeakPolarHBondContact O-CG 3.24Å; I221-Q225 PolarHBondContact O-N 3.34Å; I221-L239 HydrophobicContact CG2-CD1 4.45Å; I221-L239 HydrophobicContact CG2-CD2 3.97Å; I221-I254 HydrophobicContact CD1-CG2 3.99Å; I221-I254 HydrophobicContact CG1-CG2 3.96Å; I221-I254 HydrophobicContact CG2-CG2 3.79Å; I221-L257 HydrophobicContact CD1-CB 4.01Å; I221-L257 HydrophobicContact CD1-CD1 4.24Å; I221-L257 HydrophobicContact CD1-CG 4.5Å; I221-L257 HydrophobicContact CG1-CB 3.94Å; I221-F265 HydrophobicContact CD1-CE1 4.18Å; I221-F265 HydrophobicContact CD1-CE2 3.83Å; I221-F265 HydrophobicContact CD1-CZ 3.55Å
222M92.8Very high93.1Very high3 Ų329 Ų292%0.01517%0.173CC..Hα-helixtrans-63.9-41.5-176.2-71.9160.960.400111.5L218 Q219 Q225 G226 M227 D228 E229 R230 I231 K235L218-M222 HydrophobicContact CB-SD 4.4Å; L218-M222 WeakPolarHBondContact O-CB 3.1Å; L218-M222 WeakPolarHBondContact O-CG 3.39Å; L218-M222 PolarHBondContact O-N 2.82Å; L218-M222 VanDerWaalsContact O-SD 3.41Å; Q219-M222 PolarHBondContact O-N 2.9Å; M222-Q225 CarbonylContact O-C 3.51Å; M222-Q225 PolarHBondContact O-N 3.43Å; M222-G226 PolarHBondContact O-N 2.99Å; M222-M227 HydrophobicContact CB-CB 4.03Å; M222-M227 HydrophobicContact CG-CB 4.35Å; M222-M227 HydrophobicContact CG-SD 4.27Å; M222-M227 PolarHBondContact O-N 3.43Å; M222-D228 WeakPolarHBondContact CE-O 3.45Å; M222-E229 WeakPolarHBondContact CE-O 3.27Å; M222-R230 WeakPolarHBondContact CE-O 3.44Å; M222-I231 HydrophobicContact CE-CG1 4.03Å; M222-I231 HydrophobicContact SD-CG1 3.66Å; M222-K235 HydrophobicContact CE-CD 4.08Å
223M88.9Confident93.4Very high64 Ų6431.4 Ų31.432%0.31519%0.185SC..Hα-helixtrans-62.9-44.5175-74.9-17864.700112.3Q219 I221 Q225 G226 P391Q219-M223 WeakPolarHBondContact O-CB 3.37Å; Q219-M223 VanDerWaalsContact O-CG 3.29Å; Q219-M223 WeakPolarHBondContact O-CG 3.26Å; Q219-M223 PolarHBondContact O-N 3.02Å; I221-M223 PolarHBondContact O-N 3.29Å; M223-Q225 VanDerWaalsContact C-N 3.29Å; M223-Q225 PolarHBondContact O-N 3.38Å; M223-G226 PolarHBondContact O-N 3.39Å; M223-P391 HydrophobicContact CE-CB 4.48Å; M223-P391 HydrophobicContact SD-CB 3.99Å
224A91Very high93.6Very high50 Ų5035.9 Ų35.941%0.41320%0.196SC..Hα-helixtrans-62.6-38.6177.800000111.8E220 I221 G226E220-A224 WeakPolarHBondContact O-CB 3.25Å; E220-A224 PolarHBondContact O-N 3.18Å; I221-A224 PolarHBondContact O-N 3.08Å; A224-G226 VanDerWaalsContact C-N 3.29Å; A224-G226 PolarHBondContact O-N 3.12Å
225Q91.2Very high93.6Very high54 Ų5437.2 Ų37.225%0.25220%0.201SC..THydrogen-bonded Turntrans-86.88.8-178.5-62.9178.41400113.9I221 M222 M223 M227 D255I221-Q225 WeakPolarHBondContact O-CB 3.42Å; I221-Q225 VanDerWaalsContact O-CG 3.31Å; I221-Q225 WeakPolarHBondContact O-CG 3.24Å; I221-Q225 PolarHBondContact O-N 3.34Å; M222-Q225 CarbonylContact O-C 3.51Å; M222-Q225 PolarHBondContact O-N 3.43Å; M223-Q225 VanDerWaalsContact C-N 3.29Å; M223-Q225 PolarHBondContact O-N 3.38Å; Q225-M227 HydrophobicContact CB-CE 4Å; Q225-M227 HydrophobicContact CB-CG 4.19Å; Q225-M227 HydrophobicContact CB-SD 4.47Å; Q225-M227 PolarHBondContact O-N 2.59Å; Q225-D255 HydrophobicContact CG-CB 4.29Å; Q225-D255 PolarHBondContact NE2-O 3.37Å
226G86.2Confident93.7Very high57 Ų5737.2 Ų37.259%0.58820%0.201SC*.THydrogen-bonded Turntrans68.917.7177.600000114.6M222 M223 A224 N417M222-G226 PolarHBondContact O-N 2.99Å; M223-G226 PolarHBondContact O-N 3.39Å; A224-G226 VanDerWaalsContact C-N 3.29Å; A224-G226 PolarHBondContact O-N 3.12Å; G226-N417 WeakPolarHBondContact CA-ND2 3.44Å
227M88.9Confident93.8Very high57 Ų5737.1 Ų37.128%0.28120%0.2SC..  trans-83.3154.1179.6-59-178.9-177.100111.3M222 Q225 N417M222-M227 HydrophobicContact CB-CB 4.03Å; M222-M227 HydrophobicContact CG-CB 4.35Å; M222-M227 HydrophobicContact CG-SD 4.27Å; M222-M227 PolarHBondContact O-N 3.43Å; Q225-M227 HydrophobicContact CB-CE 4Å; Q225-M227 HydrophobicContact CB-CG 4.19Å; Q225-M227 HydrophobicContact CB-SD 4.47Å; Q225-M227 PolarHBondContact O-N 2.59Å; M227-N417 PolarHBondContact O-ND2 3.06Å
228D88.9Confident93.9Very high35 Ų3541.7 Ų41.719%0.18722%0.222CC..  trans-60.3145.2166.6150.756.1000111.2M222 R230 K235 N417 P419M222-D228 WeakPolarHBondContact CE-O 3.45Å; D228-R230 VanDerWaalsContact C-N 3.25Å; D228-R230 PolarHBondContact O-N 3.46Å; D228-R230 PolarHBondContact OD1-N 3.01Å; D228-R230 IonicContact OD1-NE 3.48Å; D228-R230 VanDerWaalsContact OD2-CB 3.29Å; D228-R230 WeakPolarHBondContact OD2-CB 3.01Å; D228-R230 IonicContact OD2-CZ 3.23Å; D228-R230 PolarHBondContact OD2-N 3.19Å; D228-R230 IonicContact OD2-NE 3.38Å; D228-R230 PolarHBondContact OD2-NE 3.45Å; D228-R230 IonicContact OD2-NH2 2.74Å; D228-K235 PolarHBondContact O-NZ 3.3Å; D228-K235 IonicContact OD2-NZ 3.42Å; D228-N417 WeakPolarHBondContact CA-O 3.46Å; D228-P419 WeakPolarHBondContact OD1-CA 3.41Å
229E90.3Very high93.9Very high2 Ų242.3 Ų42.31%0.00923%0.225CC..SBendtrans-62.4-16.7-177.470.2174.2168.200116.3Q219 M222 I231 T390 A392 Q393 N417 P419Q219-E229 PolarHBondContact NE2-O 3.47Å; M222-E229 WeakPolarHBondContact CE-O 3.27Å; E229-I231 PolarHBondContact O-N 3.27Å; E229-T390 VanDerWaalsContact CD-OG1 3.27Å; E229-T390 PolarHBondContact OE1-OG1 3.13Å; E229-T390 WeakPolarHBondContact OE2-CB 3.39Å; E229-T390 VanDerWaalsContact OE2-CG2 3.29Å; E229-T390 WeakPolarHBondContact OE2-CG2 3.38Å; E229-T390 PolarHBondContact OE2-OG1 2.87Å; E229-A392 HydrophobicContact CB-CB 3.84Å; E229-A392 HydrophobicContact CG-CB 4.25Å; E229-A392 WeakPolarHBondContact OE2-CB 3.33Å; E229-Q393 PolarHBondContact OE1-NE2 2.88Å; E229-N417 PolarHBondContact N-O 3.16Å; E229-N417 VanDerWaalsContact N-O 3.16Å; E229-P419 HydrophobicContact CG-CG 4.16Å; E229-P419 VanDerWaalsContact OE1-CD 3.31Å; E229-P419 WeakPolarHBondContact OE1-CD 3.32Å
230R94.3Very high94.1Very high77 Ų7742.5 Ų42.529%0.29123%0.225SC..  trans-73.2116.1-179.9-61.5175.9-70.9-162.2-2.8110.5M222 D228 K235 C283 T285 E348 P419M222-R230 WeakPolarHBondContact CE-O 3.44Å; D228-R230 VanDerWaalsContact C-N 3.25Å; D228-R230 PolarHBondContact O-N 3.46Å; D228-R230 PolarHBondContact OD1-N 3.01Å; D228-R230 IonicContact OD1-NE 3.48Å; D228-R230 VanDerWaalsContact OD2-CB 3.29Å; D228-R230 WeakPolarHBondContact OD2-CB 3.01Å; D228-R230 IonicContact OD2-CZ 3.23Å; D228-R230 PolarHBondContact OD2-N 3.19Å; D228-R230 IonicContact OD2-NE 3.38Å; D228-R230 PolarHBondContact OD2-NE 3.45Å; D228-R230 IonicContact OD2-NH2 2.74Å; R230-K235 WeakPolarHBondContact O-CD 3.21Å; R230-K235 PolarHBondContact O-NZ 3.25Å; R230-C283 HydrophobicContact CB-CB 4.21Å; R230-T285 HydrophobicContact CG-CG2 4.48Å; R230-E348 IonicContact NH1-OE1 2.77Å; R230-E348 PolarHBondContact NH1-OE1 3.49Å; R230-P419 HydrophobicContact CG-CG 4.38Å
231I96.7Very high94.3Very high0 Ų044.4 Ų44.40%023%0.234CC..BIsolated β-bridgetrans-75.8127.2172-61.4164.7000107.7V215 L218 M222 E229 L236 F276 C283 M284V215-I231 HydrophobicContact CG1-CD1 3.78Å; L218-I231 HydrophobicContact CB-CD1 3.94Å; L218-I231 HydrophobicContact CB-CG1 4.33Å; L218-I231 HydrophobicContact CD1-CD1 4.06Å; L218-I231 HydrophobicContact CD1-CG2 4.33Å; M222-I231 HydrophobicContact CE-CG1 4.03Å; M222-I231 HydrophobicContact SD-CG1 3.66Å; E229-I231 PolarHBondContact O-N 3.27Å; I231-L236 HydrophobicContact CG2-CD1 4.2Å; I231-L236 HydrophobicContact CG2-CD2 3.65Å; I231-L236 HydrophobicContact CG2-CG 3.93Å; I231-F276 HydrophobicContact CB-CZ 4.31Å; I231-F276 HydrophobicContact CG2-CE2 4.14Å; I231-F276 HydrophobicContact CG2-CZ 3.78Å; I231-F276 WeakPolarHBondContact O-CZ 3.29Å; I231-C283 CarbonylContact O-C 3.6Å; I231-C283 WeakPolarHBondContact O-CA 3.38Å; I231-M284 HydrophobicContact CB-CB 4.27Å; I231-M284 WeakPolarHBondContact CB-O 3.42Å; I231-M284 PolarHBondContact N-O 3.13Å; I231-M284 PolarHBondContact O-N 2.87Å
232T97.5Very high94.3Very high35 Ų3549.3 Ų49.322%0.21525%0.253CS..  trans-124.3156.6177.4640000109.9E234 K235 L236T232-E234 PolarHBondContact O-N 3.38Å; T232-K235 PolarHBondContact O-N 3.38Å; T232-K235 VanDerWaalsContact O-N 3.12Å; T232-K235 WeakPolarHBondContact OG1-CG 3.29Å; T232-K235 PolarHBondContact OG1-N 3.2Å; T232-L236 WeakPolarHBondContact O-CG 3.27Å; T232-L236 PolarHBondContact O-N 2.98Å; T232-L236 VanDerWaalsContact O-N 3.08Å
233L98.2Very high94.5Very high59 Ų5949.1 Ų49.131%0.30925%0.252SS..Hα-helixtrans-55.4-37.8176.5179.158000111.8L236 Q237 I273 F276L233-L236 PolarHBondContact O-N 3.16Å; L233-Q237 HydrophobicContact CD1-CG 4.23Å; L233-Q237 HydrophobicContact CG-CG 4.42Å; L233-Q237 VanDerWaalsContact O-CG 3.31Å; L233-Q237 WeakPolarHBondContact O-CG 3.33Å; L233-Q237 PolarHBondContact O-N 3.21Å; L233-I273 HydrophobicContact CD1-CG2 4.13Å; L233-F276 HydrophobicContact CB-CB 4.36Å; L233-F276 HydrophobicContact CB-CD1 3.98Å; L233-F276 HydrophobicContact CD1-CB 3.98Å
234E97.8Very high94.9Very high135 Ų13547.7 Ų47.763%0.63125%0.245SC*.Hα-helixtrans-59.3-49.7176.1-172-172.5170.600112.3T232 L236 Q237 Q238T232-E234 PolarHBondContact O-N 3.38Å; E234-L236 VanDerWaalsContact C-N 3.27Å; E234-L236 PolarHBondContact O-N 3.27Å; E234-Q237 PolarHBondContact O-N 3.44Å; E234-Q237 VanDerWaalsContact O-N 3.17Å; E234-Q238 WeakPolarHBondContact O-CG 3.42Å; E234-Q238 PolarHBondContact O-N 2.89Å; E234-Q238 PolarHBondContact OE1-NE2 3.26Å
235K97Very high95.1Very high34 Ų3453.5 Ų53.515%0.14826%0.263CS..Hα-helixtrans-59.7-39.7176.8-71.1175.2-178.3173.70111.2M222 D228 R230 T232 Q238 L239M222-K235 HydrophobicContact CE-CD 4.08Å; D228-K235 PolarHBondContact O-NZ 3.3Å; D228-K235 IonicContact OD2-NZ 3.42Å; R230-K235 WeakPolarHBondContact O-CD 3.21Å; R230-K235 PolarHBondContact O-NZ 3.25Å; T232-K235 PolarHBondContact O-N 3.38Å; T232-K235 VanDerWaalsContact O-N 3.12Å; T232-K235 WeakPolarHBondContact OG1-CG 3.29Å; T232-K235 PolarHBondContact OG1-N 3.2Å; K235-Q238 PolarHBondContact O-N 3.34Å; K235-L239 WeakPolarHBondContact O-CG 3.26Å; K235-L239 PolarHBondContact O-N 3.06Å
236L98.3Very high95.3Very high0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-64.4-42.8176.5-61179000112L218 I231 T232 L233 E234 L239 K240 L269 L272 I273 F276L218-L236 HydrophobicContact CD1-CD2 3.59Å; L218-L236 HydrophobicContact CD2-CD2 3.86Å; L218-L236 HydrophobicContact CG-CD2 4.4Å; I231-L236 HydrophobicContact CG2-CD1 4.2Å; I231-L236 HydrophobicContact CG2-CD2 3.65Å; I231-L236 HydrophobicContact CG2-CG 3.93Å; T232-L236 WeakPolarHBondContact O-CG 3.27Å; T232-L236 PolarHBondContact O-N 2.98Å; T232-L236 VanDerWaalsContact O-N 3.08Å; L233-L236 PolarHBondContact O-N 3.16Å; E234-L236 VanDerWaalsContact C-N 3.27Å; E234-L236 PolarHBondContact O-N 3.27Å; L236-L239 PolarHBondContact O-N 2.68Å; L236-K240 PolarHBondContact O-N 3.09Å; L236-L269 HydrophobicContact CB-CD1 4Å; L236-L269 HydrophobicContact CD2-CD1 3.71Å; L236-L269 HydrophobicContact CG-CD1 4.42Å; L236-L272 HydrophobicContact CD1-CB 4.49Å; L236-L272 HydrophobicContact CD1-CD2 4.03Å; L236-L272 HydrophobicContact CD1-CG 3.86Å; L236-L272 HydrophobicContact CD2-CD2 3.85Å; L236-I273 HydrophobicContact CB-CD1 4.28Å; L236-I273 HydrophobicContact CB-CG1 3.66Å; L236-I273 HydrophobicContact CD1-CG1 4.24Å; L236-F276 HydrophobicContact CD1-CB 4.44Å; L236-F276 HydrophobicContact CD1-CD1 4.41Å; L236-F276 HydrophobicContact CD1-CD2 3.6Å; L236-F276 HydrophobicContact CD1-CE2 3.82Å; L236-F276 HydrophobicContact CD1-CG 3.9Å; L236-F276 HydrophobicContact CD1-CZ 4.31Å
237Q98.2Very high95.7Very high61 Ų6150.9 Ų50.929%0.28525%0.247SC..Hα-helixtrans-64.2-41.2176.6-70.5-66.1-15.900111.8L233 E234 L239 K240 Q241 I273L233-Q237 HydrophobicContact CD1-CG 4.23Å; L233-Q237 HydrophobicContact CG-CG 4.42Å; L233-Q237 VanDerWaalsContact O-CG 3.31Å; L233-Q237 WeakPolarHBondContact O-CG 3.33Å; L233-Q237 PolarHBondContact O-N 3.21Å; E234-Q237 PolarHBondContact O-N 3.44Å; E234-Q237 VanDerWaalsContact O-N 3.17Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.63Å; Q237-K240 WeakPolarHBondContact O-CB 3.37Å; Q237-K240 PolarHBondContact O-N 2.96Å; Q237-Q241 WeakPolarHBondContact O-CG 3.38Å; Q237-Q241 PolarHBondContact O-N 2.96Å; Q237-I273 VanDerWaalsContact NE2-CG2 3.35Å
238Q96.8Very high96Very high98 Ų9854.6 Ų54.646%0.45826%0.258SS..Hα-helixtrans-59.7-43.9174.3-69.5173.48.300111.7E234 K235 Q241 R242E234-Q238 WeakPolarHBondContact O-CG 3.42Å; E234-Q238 PolarHBondContact O-N 2.89Å; E234-Q238 PolarHBondContact OE1-NE2 3.26Å; K235-Q238 PolarHBondContact O-N 3.34Å; Q238-Q241 PolarHBondContact O-N 3.33Å; Q238-R242 PolarHBondContact O-N 3.05Å
239L96.7Very high96.2Very high13 Ų1353.1 Ų53.17%0.06825%0.25CC..Hα-helixtrans-67-35.4176.3-69.7171.6000112.6L218 I221 K235 L236 Q237 R242 A243 I254 F265 L269L218-L239 HydrophobicContact CD2-CD1 3.3Å; I221-L239 HydrophobicContact CG2-CD1 4.45Å; I221-L239 HydrophobicContact CG2-CD2 3.97Å; K235-L239 WeakPolarHBondContact O-CG 3.26Å; K235-L239 PolarHBondContact O-N 3.06Å; L236-L239 PolarHBondContact O-N 2.68Å; Q237-L239 VanDerWaalsContact C-N 3.34Å; Q237-L239 PolarHBondContact O-N 2.63Å; L239-R242 PolarHBondContact O-N 2.91Å; L239-A243 WeakPolarHBondContact O-CB 3.39Å; L239-A243 PolarHBondContact O-N 2.89Å; L239-I254 HydrophobicContact CD2-CD1 4.3Å; L239-I254 HydrophobicContact CD2-CG2 4.08Å; L239-F265 HydrophobicContact CD1-CZ 4.38Å; L239-L269 HydrophobicContact CB-CD2 4.06Å
240K98Very high96.3Very high5 Ų558 Ų582%0.02227%0.273CS..Hα-helixtrans-59.4-49.6171.4165.9178.4171.8173.30110.2F182 D183 E186 L236 Q237 R242 A243 I244 L269 I273F182-K240 HydrophobicContact CB-CD 4.16Å; F182-K240 VanDerWaalsContact CB-CE 3.48Å; F182-K240 HydrophobicContact CB-CG 4.5Å; F182-K240 HydrophobicContact CD1-CD 3.98Å; F182-K240 HydrophobicContact CD1-CG 3.85Å; F182-K240 HydrophobicContact CD2-CG 4.35Å; F182-K240 HydrophobicContact CE1-CB 4.37Å; F182-K240 HydrophobicContact CE1-CG 4.09Å; F182-K240 HydrophobicContact CG-CD 4.13Å; F182-K240 HydrophobicContact CG-CG 3.99Å; F182-K240 HydrophobicContact CZ-CG 4.42Å; D183-K240 IonicContact OD1-NZ 3.72Å; D183-K240 PolarHBondContact OD1-NZ 3.31Å; E186-K240 VanDerWaalsContact OE1-CD 3.25Å; E186-K240 WeakPolarHBondContact OE1-CD 3.41Å; E186-K240 WeakPolarHBondContact OE1-CE 3.32Å; E186-K240 IonicContact OE1-NZ 3.79Å; E186-K240 PolarHBondContact OE1-NZ 3.28Å; E186-K240 IonicContact OE2-NZ 3.91Å; L236-K240 PolarHBondContact O-N 3.09Å; Q237-K240 WeakPolarHBondContact O-CB 3.37Å; Q237-K240 PolarHBondContact O-N 2.96Å; K240-R242 VanDerWaalsContact C-N 3.31Å; K240-R242 PolarHBondContact O-N 2.87Å; K240-A243 WeakPolarHBondContact O-CB 3.37Å; K240-A243 PolarHBondContact O-N 3.29Å; K240-I244 HydrophobicContact CD-CD1 4.44Å; K240-I244 HydrophobicContact CG-CD1 3.76Å; K240-I244 HydrophobicContact CG-CG1 4.46Å; K240-I244 WeakPolarHBondContact O-CG1 3.43Å; K240-I244 PolarHBondContact O-N 3.5Å; K240-L269 HydrophobicContact CB-CD2 4.22Å; K240-I273 HydrophobicContact CB-CD1 3.88Å; K240-I273 HydrophobicContact CD-CD1 4.01Å
241Q97.9Very high96.2Very high93 Ų9359.4 Ų59.444%0.43528%0.283SS..Hα-helixtrans-62.5-38.3179.7-65.7-53-45.800112.2Q237 Q238 I244 H245Q237-Q241 WeakPolarHBondContact O-CG 3.38Å; Q237-Q241 PolarHBondContact O-N 2.96Å; Q238-Q241 PolarHBondContact O-N 3.33Å; Q241-I244 PolarHBondContact O-N 3.22Å; Q241-H245 WeakPolarHBondContact O-CB 3.35Å; Q241-H245 PolarHBondContact O-N 2.99Å
242R95.6Very high96Very high103 Ų10360 Ų6039%0.38929%0.285SS..Hα-helixtrans-64.6-42.3173.7-176169.5173.5163.30.7112.5Q238 L239 K240 I244 H245 C246 E253 I254Q238-R242 PolarHBondContact O-N 3.05Å; L239-R242 PolarHBondContact O-N 2.91Å; K240-R242 VanDerWaalsContact C-N 3.31Å; K240-R242 PolarHBondContact O-N 2.87Å; R242-I244 VanDerWaalsContact C-N 3.32Å; R242-I244 PolarHBondContact O-N 3.26Å; R242-H245 PolarHBondContact O-N 2.91Å; R242-C246 PolarHBondContact O-N 3.34Å; R242-C246 PolarHBondContact O-SG 3.39Å; R242-E253 PolarHBondContact NE-O 3.38Å; R242-E253 PolarHBondContact NH2-O 2.95Å; R242-E253 VanDerWaalsContact NH2-O 3.14Å; R242-I254 HydrophobicContact CG-CG1 4.41Å
243A96.2Very high95.8Very high0 Ų065.7 Ų65.70%031%0.31CS..Hα-helixtrans-62.4-40.9175.300000111.5L177 F182 L239 K240 H245 C246 L252L177-A243 WeakPolarHBondContact CB-O 3.4Å; L177-A243 HydrophobicContact CD1-CB 4.31Å; L177-A243 WeakPolarHBondContact CD1-O 3.32Å; F182-A243 HydrophobicContact CE2-CB 4.16Å; F182-A243 HydrophobicContact CZ-CB 3.89Å; L239-A243 WeakPolarHBondContact O-CB 3.39Å; L239-A243 PolarHBondContact O-N 2.89Å; K240-A243 WeakPolarHBondContact O-CB 3.37Å; K240-A243 PolarHBondContact O-N 3.29Å; A243-H245 VanDerWaalsContact C-N 3.34Å; A243-H245 PolarHBondContact O-N 2.91Å; A243-C246 WeakPolarHBondContact O-CB 3.45Å; A243-C246 PolarHBondContact O-N 3.42Å; A243-L252 HydrophobicContact CB-CD1 3.77Å
244I97.3Very high95.5Very high33 Ų3363.4 Ų63.417%0.16930%0.298CS..Hα-helixtrans-63.6-40.7175.4-66.8167.1000111.7L177 Q179 F182 K240 Q241 R242 C246 G247L177-I244 VanDerWaalsContact O-CA 3.22Å; L177-I244 WeakPolarHBondContact O-CA 3.43Å; L177-I244 WeakPolarHBondContact O-CG1 3.42Å; Q179-I244 HydrophobicContact CB-CD1 4.38Å; F182-I244 HydrophobicContact CD2-CD1 3.92Å; F182-I244 HydrophobicContact CD2-CG1 3.57Å; F182-I244 HydrophobicContact CE2-CD1 4.45Å; F182-I244 HydrophobicContact CE2-CG1 3.74Å; F182-I244 HydrophobicContact CG-CD1 4.46Å; K240-I244 HydrophobicContact CD-CD1 4.44Å; K240-I244 HydrophobicContact CG-CD1 3.76Å; K240-I244 HydrophobicContact CG-CG1 4.46Å; K240-I244 WeakPolarHBondContact O-CG1 3.43Å; K240-I244 PolarHBondContact O-N 3.5Å; Q241-I244 PolarHBondContact O-N 3.22Å; R242-I244 VanDerWaalsContact C-N 3.32Å; R242-I244 PolarHBondContact O-N 3.26Å; I244-C246 VanDerWaalsContact C-N 3.26Å; I244-C246 PolarHBondContact O-N 2.96Å; I244-G247 WeakPolarHBondContact O-CA 3.41Å; I244-G247 PolarHBondContact O-N 2.67Å
245H96.2Very high95.3Very high172 Ų17261.4 Ų61.480%0.79629%0.292SS*.Hα-helixtrans-62.9-31.3177.4-172.468.9000113.2Q241 R242 A243 G247Q241-H245 WeakPolarHBondContact O-CB 3.35Å; Q241-H245 PolarHBondContact O-N 2.99Å; R242-H245 PolarHBondContact O-N 2.91Å; A243-H245 VanDerWaalsContact C-N 3.34Å; A243-H245 PolarHBondContact O-N 2.91Å; H245-G247 PolarHBondContact O-N 3.37Å
246C95Very high95.2Very high24 Ų2461 Ų6116%0.16230%0.297CS..Hα-helixtrans-68.8-20.8173.1-58.60000112.2R242 A243 I244 R248 L252R242-C246 PolarHBondContact O-N 3.34Å; R242-C246 PolarHBondContact O-SG 3.39Å; A243-C246 WeakPolarHBondContact O-CB 3.45Å; A243-C246 PolarHBondContact O-N 3.42Å; I244-C246 VanDerWaalsContact C-N 3.26Å; I244-C246 PolarHBondContact O-N 2.96Å; C246-R248 PolarHBondContact O-N 3.29Å; C246-L252 HydrophobicContact CB-CD1 4.37Å
247G93.9Very high95Very high32 Ų3262 Ų6233%0.3330%0.302SS..  trans73.5-41.517400000115.3L177 I244 H245L177-G247 PolarHBondContact N-O 2.99Å; I244-G247 WeakPolarHBondContact O-CA 3.41Å; I244-G247 PolarHBondContact O-N 2.67Å; H245-G247 PolarHBondContact O-N 3.37Å
248R95Very high94.7Very high135 Ų13562.3 Ų62.351%0.50931%0.308SS..BIsolated β-bridgetrans-128.6150.7-177.2-72-176.1173.8159.1-1.5112.9C246 E250 E251 L252C246-R248 PolarHBondContact O-N 3.29Å; R248-E250 VanDerWaalsContact C-N 3.3Å; R248-E250 PolarHBondContact O-N 3.4Å; R248-E251 HydrophobicContact CB-CB 4.32Å; R248-E251 HydrophobicContact CB-CG 4.19Å; R248-E251 IonicContact NH1-OE1 3.62Å; R248-E251 PolarHBondContact O-N 2.88Å; R248-E251 VanDerWaalsContact O-N 3.13Å; R248-L252 PolarHBondContact O-N 3.15Å
249L92.8Very high94.2Very high4 Ų464.6 Ų64.62%0.02132%0.323CS..G310 helixtrans-63.6-34.8-178.3-175.261000112.9L168 R175 L177 E251 L252 A262 L263 P266L168-L249 HydrophobicContact CD1-CD2 3.98Å; R175-L249 HydrophobicContact CB-CB 4.39Å; R175-L249 VanDerWaalsContact NH1-CD2 3.35Å; R175-L249 PolarHBondContact O-N 2.89Å; L177-L249 HydrophobicContact CD2-CB 4.44Å; L177-L249 HydrophobicContact CD2-CD1 4.29Å; L249-E251 VanDerWaalsContact C-N 3.3Å; L249-L252 WeakPolarHBondContact O-CB 3.34Å; L249-A262 WeakPolarHBondContact CD1-O 3.49Å; L249-L263 HydrophobicContact CG-CD2 4.42Å; L249-P266 HydrophobicContact CD1-CG 3.82Å
250E92.2Very high93.6Very high105 Ų10570.1 Ų70.149%0.49135%0.348SS..G310 helixtrans-70.3-26.5175.8-63.282.6179.300113.3R175 R248 L252R175-E250 IonicContact CZ-OE1 2.89Å; R175-E250 IonicContact NE-OE1 3.52Å; R175-E250 PolarHBondContact NE-OE1 2.79Å; R175-E250 IonicContact NE-OE2 3.98Å; R175-E250 IonicContact NH2-OE1 3.66Å; R175-E250 PolarHBondContact NH2-OE1 3.18Å; R248-E250 VanDerWaalsContact C-N 3.3Å; R248-E250 PolarHBondContact O-N 3.4Å; E250-L252 VanDerWaalsContact C-N 3.34Å
251E92.7Very high93.2Very high107 Ų10772.3 Ų72.350%0.536%0.356SS..G310 helixtrans-93.82.6-177.2-63.2176-153.500111.6R248 L249 E253R248-E251 HydrophobicContact CB-CB 4.32Å; R248-E251 HydrophobicContact CB-CG 4.19Å; R248-E251 IonicContact NH1-OE1 3.62Å; R248-E251 PolarHBondContact O-N 2.88Å; R248-E251 VanDerWaalsContact O-N 3.13Å; L249-E251 VanDerWaalsContact C-N 3.3Å; E251-E253 PolarHBondContact O-N 3.49Å
252L93.8Very high92.9Very high11 Ų1168 Ų686%0.05834%0.337CS..  trans-70.297.4-177-17764.8000111.6L177 A243 C246 R248 L249 E250 I254 L257 A262 F265 P266L177-L252 HydrophobicContact CD1-CB 4.22Å; L177-L252 HydrophobicContact CD1-CD1 4.06Å; L177-L252 HydrophobicContact CD1-CD2 4.38Å; L177-L252 HydrophobicContact CD1-CG 4.46Å; A243-L252 HydrophobicContact CB-CD1 3.77Å; C246-L252 HydrophobicContact CB-CD1 4.37Å; R248-L252 PolarHBondContact O-N 3.15Å; L249-L252 WeakPolarHBondContact O-CB 3.34Å; E250-L252 VanDerWaalsContact C-N 3.34Å; L252-I254 HydrophobicContact CD1-CD1 3.91Å; L252-I254 HydrophobicContact CD1-CG1 4.07Å; L252-L257 HydrophobicContact CD2-CD2 4.1Å; L252-L257 HydrophobicContact CG-CD2 4.36Å; L252-A262 HydrophobicContact CD2-CB 4.28Å; L252-F265 HydrophobicContact CD2-CD1 4.44Å; L252-P266 HydrophobicContact CD2-CG 3.58Å
253E91.5Very high92.6Very high156 Ų15665.5 Ų65.573%0.72933%0.331SS*.  trans-112.3109.5175.6-67.4-170.8174.700111.8R242 E251R242-E253 PolarHBondContact NE-O 3.38Å; R242-E253 PolarHBondContact NH2-O 2.95Å; R242-E253 VanDerWaalsContact NH2-O 3.14Å; E251-E253 PolarHBondContact O-N 3.49Å
254I93.7Very high92.5Very high10 Ų1067 Ų675%0.05134%0.34CS..  trans-125.8127.5174.3-55.9-179.9000108I221 L239 R242 L252 G256 L257 F265I221-I254 HydrophobicContact CD1-CG2 3.99Å; I221-I254 HydrophobicContact CG1-CG2 3.96Å; I221-I254 HydrophobicContact CG2-CG2 3.79Å; L239-I254 HydrophobicContact CD2-CD1 4.3Å; L239-I254 HydrophobicContact CD2-CG2 4.08Å; R242-I254 HydrophobicContact CG-CG1 4.41Å; L252-I254 HydrophobicContact CD1-CD1 3.91Å; L252-I254 HydrophobicContact CD1-CG1 4.07Å; I254-G256 PolarHBondContact O-N 3.11Å; I254-L257 HydrophobicContact CB-CB 3.86Å; I254-L257 HydrophobicContact CB-CD2 4.09Å; I254-L257 HydrophobicContact CD1-CD2 4.11Å; I254-L257 HydrophobicContact CG1-CD2 4.29Å; I254-L257 HydrophobicContact CG2-CB 4.45Å; I254-L257 VanDerWaalsContact O-CB 3.29Å; I254-L257 WeakPolarHBondContact O-CB 3.31Å; I254-L257 PolarHBondContact O-N 2.97Å; I254-F265 HydrophobicContact CD1-CD1 4.49Å; I254-F265 HydrophobicContact CD1-CE1 4.03Å
255D93.2Very high92.4Very high94 Ų9465.6 Ų65.650%0.50333%0.333SS..THydrogen-bonded Turntrans-60131.3176.7-174.930.6000110.6Q225 L257Q225-D255 HydrophobicContact CG-CB 4.29Å; Q225-D255 PolarHBondContact NE2-O 3.37Å; D255-L257 VanDerWaalsContact C-N 3.32Å
256G93.9Very high92.5Very high25 Ų2557.4 Ų57.426%0.25830%0.295SS..THydrogen-bonded Turntrans82.1-10.9-169.900000116.1E220 I254E220-G256 WeakPolarHBondContact CB-O 3.25Å; I254-G256 PolarHBondContact O-N 3.11Å
257L95Very high92.6Very high21 Ų2156.2 Ų56.211%0.1129%0.287CS..  trans-89.5112.4175.8-175.359.5000110.8A217 I221 L252 I254 D255 R261 A262 F265A217-L257 HydrophobicContact CB-CD1 4.04Å; I221-L257 HydrophobicContact CD1-CB 4.01Å; I221-L257 HydrophobicContact CD1-CD1 4.24Å; I221-L257 HydrophobicContact CD1-CG 4.5Å; I221-L257 HydrophobicContact CG1-CB 3.94Å; L252-L257 HydrophobicContact CD2-CD2 4.1Å; L252-L257 HydrophobicContact CG-CD2 4.36Å; I254-L257 HydrophobicContact CB-CB 3.86Å; I254-L257 HydrophobicContact CB-CD2 4.09Å; I254-L257 HydrophobicContact CD1-CD2 4.11Å; I254-L257 HydrophobicContact CG1-CD2 4.29Å; I254-L257 HydrophobicContact CG2-CB 4.45Å; I254-L257 VanDerWaalsContact O-CB 3.29Å; I254-L257 WeakPolarHBondContact O-CB 3.31Å; I254-L257 PolarHBondContact O-N 2.97Å; D255-L257 VanDerWaalsContact C-N 3.32Å; L257-R261 HydrophobicContact CD1-CB 3.63Å; L257-A262 HydrophobicContact CD2-CB 4.08Å; L257-A262 HydrophobicContact CG-CB 4.23Å; L257-F265 HydrophobicContact CD1-CB 4.15Å; L257-F265 HydrophobicContact CD1-CD2 4Å; L257-F265 HydrophobicContact CD1-CG 4Å; L257-F265 HydrophobicContact CD2-CB 4.16Å; L257-F265 HydrophobicContact CD2-CD1 3.78Å; L257-F265 HydrophobicContact CD2-CE1 4.33Å; L257-F265 HydrophobicContact CD2-CG 3.94Å
258T91.1Very high92.8Very high67 Ų6754.7 Ų54.741%0.41127%0.271SS..  trans-65.6144174.859.20000111.7E260 R261 A262T258-E260 PolarHBondContact O-N 3.24Å; T258-E260 VanDerWaalsContact O-N 3.07Å; T258-R261 PolarHBondContact O-N 2.9Å; T258-R261 WeakPolarHBondContact OG1-CG 2.94Å; T258-A262 PolarHBondContact O-N 3.34Å
259L87.4Confident93Very high147 Ų14748.3 Ų48.377%0.7725%0.247SC*.Hα-helixtrans-48.9-39.5175.4179.265000112.1R261 A262L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.25Å; L259-A262 PolarHBondContact O-N 2.94Å
260E84.2Confident93.3Very high129 Ų12948.1 Ų48.160%0.60325%0.246SC*.Hα-helixtrans-63.8-30.2178.6-88.6-155.3-14800115.1K39 T258K39-E260 WeakPolarHBondContact CE-OE2 3.2Å; K39-E260 VanDerWaalsContact NZ-CB 3.26Å; K39-E260 PolarHBondContact NZ-O 3.12Å; K39-E260 IonicContact NZ-OE2 3.64Å; K39-E260 PolarHBondContact NZ-OE2 3.49Å; T258-E260 PolarHBondContact O-N 3.24Å; T258-E260 VanDerWaalsContact O-N 3.07Å
261R89Confident93.6Very high50 Ų5043.1 Ų43.119%0.18922%0.223CC..Hα-helixtrans-90.2-30.5176.3-71.2-180-172.6-93.32.9111.5G213 E220 L257 T258 L259 L263 V264 F265G213-R261 PolarHBondContact O-NH1 3.41Å; E220-R261 IonicContact OE1-CZ 2.87Å; E220-R261 IonicContact OE1-NE 2.74Å; E220-R261 IonicContact OE1-NH2 3.95Å; E220-R261 PolarHBondContact OE1-NH2 2.64Å; E220-R261 WeakPolarHBondContact OE2-CD 3.26Å; E220-R261 IonicContact OE2-CZ 3.76Å; E220-R261 IonicContact OE2-NE 3.41Å; E220-R261 PolarHBondContact OE2-NE 3.28Å; E220-R261 IonicContact OE2-NH2 2.67Å; L257-R261 HydrophobicContact CD1-CB 3.63Å; T258-R261 PolarHBondContact O-N 2.9Å; T258-R261 WeakPolarHBondContact OG1-CG 2.94Å; L259-R261 VanDerWaalsContact C-N 3.31Å; L259-R261 PolarHBondContact O-N 3.25Å; R261-L263 PolarHBondContact O-N 2.89Å; R261-L263 VanDerWaalsContact O-N 3.12Å; R261-V264 PolarHBondContact O-N 3.37Å; R261-V264 VanDerWaalsContact O-N 3.11Å; R261-F265 WeakPolarHBondContact O-CB 3.26Å; R261-F265 PolarHBondContact O-N 2.88Å; R261-F265 VanDerWaalsContact O-N 3.08Å
262A91.5Very high93.9Very high4 Ų438 Ų383%0.03320%0.199CC..Hα-helixtrans-50.4-39.9-178.400000112.9L249 L252 L257 T258 L259 V264 F265 P266L249-A262 WeakPolarHBondContact CD1-O 3.49Å; L252-A262 HydrophobicContact CD2-CB 4.28Å; L257-A262 HydrophobicContact CD2-CB 4.08Å; L257-A262 HydrophobicContact CG-CB 4.23Å; T258-A262 PolarHBondContact O-N 3.34Å; L259-A262 PolarHBondContact O-N 2.94Å; A262-V264 VanDerWaalsContact C-N 3.26Å; A262-V264 PolarHBondContact O-N 2.77Å; A262-V264 VanDerWaalsContact O-N 3.15Å; A262-F265 PolarHBondContact O-N 3.07Å; A262-P266 WeakPolarHBondContact O-CD 3.27Å
263L89.9Confident94.1Very high49 Ų4937.5 Ų37.526%0.25720%0.196SC..THydrogen-bonded Turntrans-60-26.6-178.2-65.6178.1000115.7L168 L249 R261L168-L263 WeakPolarHBondContact CD1-O 2.74Å; L168-L263 WeakPolarHBondContact CD2-O 3.06Å; L249-L263 HydrophobicContact CG-CD2 4.42Å; R261-L263 PolarHBondContact O-N 2.89Å; R261-L263 VanDerWaalsContact O-N 3.12Å
264V92.5Very high94.5Very high32 Ų3230 Ų3019%0.19416%0.161CC..THydrogen-bonded Turntrans-121.11-178.7-61.10000112.3V165 L168 R261 A262 S267 G268V165-V264 HydrophobicContact CG2-CG1 4.33Å; L168-V264 HydrophobicContact CD2-CG1 4.25Å; R261-V264 PolarHBondContact O-N 3.37Å; R261-V264 VanDerWaalsContact O-N 3.11Å; A262-V264 VanDerWaalsContact C-N 3.26Å; A262-V264 PolarHBondContact O-N 2.77Å; A262-V264 VanDerWaalsContact O-N 3.15Å; V264-S267 PolarHBondContact O-OG 3.34Å; V264-G268 PolarHBondContact O-N 2.82Å
265F96.6Very high94.7Very high3 Ų329.6 Ų29.61%0.01316%0.159CC..Hα-helixtrans-69.3-45.3-175178.1-99.2000112.6A217 L218 I221 L239 L252 I254 L257 R261 A262 S267 G268 L269A217-F265 HydrophobicContact CB-CD2 3.72Å; A217-F265 HydrophobicContact CB-CE2 3.87Å; L218-F265 HydrophobicContact CD2-CE2 3.89Å; L218-F265 HydrophobicContact CD2-CZ 3.7Å; L218-F265 HydrophobicContact CG-CE2 3.98Å; L218-F265 HydrophobicContact CG-CZ 4.32Å; I221-F265 HydrophobicContact CD1-CE1 4.18Å; I221-F265 HydrophobicContact CD1-CE2 3.83Å; I221-F265 HydrophobicContact CD1-CZ 3.55Å; L239-F265 HydrophobicContact CD1-CZ 4.38Å; L252-F265 HydrophobicContact CD2-CD1 4.44Å; I254-F265 HydrophobicContact CD1-CD1 4.49Å; I254-F265 HydrophobicContact CD1-CE1 4.03Å; L257-F265 HydrophobicContact CD1-CB 4.15Å; L257-F265 HydrophobicContact CD1-CD2 4Å; L257-F265 HydrophobicContact CD1-CG 4Å; L257-F265 HydrophobicContact CD2-CB 4.16Å; L257-F265 HydrophobicContact CD2-CD1 3.78Å; L257-F265 HydrophobicContact CD2-CE1 4.33Å; L257-F265 HydrophobicContact CD2-CG 3.94Å; R261-F265 WeakPolarHBondContact O-CB 3.26Å; R261-F265 PolarHBondContact O-N 2.88Å; R261-F265 VanDerWaalsContact O-N 3.08Å; A262-F265 PolarHBondContact O-N 3.07Å; F265-S267 PolarHBondContact O-N 3.31Å; F265-G268 PolarHBondContact O-N 3.43Å; F265-L269 HydrophobicContact CE1-CB 4.47Å; F265-L269 HydrophobicContact CE1-CD2 4Å; F265-L269 HydrophobicContact CZ-CD2 4.47Å; F265-L269 VanDerWaalsContact O-CB 3.3Å; F265-L269 WeakPolarHBondContact O-CB 3.32Å; F265-L269 PolarHBondContact O-N 3.37Å
266P97.9Very high95Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-58.4-42.4-179.5-30.539.5000114.3F172 L177 F182 L249 L252 A262 L269 A270F172-P266 HydrophobicContact CE1-CB 4.34Å; F172-P266 HydrophobicContact CZ-CB 4.45Å; L177-P266 HydrophobicContact CD1-CG 4.14Å; L177-P266 HydrophobicContact CD2-CB 3.73Å; L177-P266 HydrophobicContact CD2-CG 3.71Å; F182-P266 HydrophobicContact CE1-CB 4.4Å; F182-P266 HydrophobicContact CZ-CB 3.85Å; L249-P266 HydrophobicContact CD1-CG 3.82Å; L252-P266 HydrophobicContact CD2-CG 3.58Å; A262-P266 WeakPolarHBondContact O-CD 3.27Å; P266-L269 WeakPolarHBondContact O-CB 3.45Å; P266-L269 PolarHBondContact O-N 3.45Å; P266-A270 PolarHBondContact O-N 3.05Å
267S97.3Very high95.2Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-67.4-42.8177.150.40000112C164 V264 F265 L269 A270 I271C164-S267 VanDerWaalsContact O-CB 3.27Å; C164-S267 WeakPolarHBondContact O-CB 3.37Å; C164-S267 PolarHBondContact O-OG 3.3Å; V264-S267 PolarHBondContact O-OG 3.34Å; F265-S267 PolarHBondContact O-N 3.31Å; S267-L269 VanDerWaalsContact C-N 3.31Å; S267-L269 PolarHBondContact O-N 2.7Å; S267-A270 PolarHBondContact O-N 2.77Å; S267-I271 WeakPolarHBondContact O-CG1 3.48Å; S267-I271 PolarHBondContact O-N 3.44Å; S267-I271 VanDerWaalsContact O-N 3.11Å
268G98Very high95.3Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-61.7-39.1172.600000112.6V264 F265 I271 L272V264-G268 PolarHBondContact O-N 2.82Å; F265-G268 PolarHBondContact O-N 3.43Å; G268-I271 PolarHBondContact O-N 2.99Å; G268-L272 WeakPolarHBondContact O-CB 3.33Å; G268-L272 PolarHBondContact O-N 2.97Å
269L98.6Very high95.7Very high0 Ų024.2 Ų24.20%012%0.123CC..Hα-helixtrans-63.9-45.3176.7176.461.1000111.4F182 L236 L239 K240 F265 P266 S267 I271 L272 I273F182-L269 HydrophobicContact CE1-CD2 4.26Å; F182-L269 HydrophobicContact CE1-CG 4.49Å; L236-L269 HydrophobicContact CB-CD1 4Å; L236-L269 HydrophobicContact CD2-CD1 3.71Å; L236-L269 HydrophobicContact CG-CD1 4.42Å; L239-L269 HydrophobicContact CB-CD2 4.06Å; K240-L269 HydrophobicContact CB-CD2 4.22Å; F265-L269 HydrophobicContact CE1-CB 4.47Å; F265-L269 HydrophobicContact CE1-CD2 4Å; F265-L269 HydrophobicContact CZ-CD2 4.47Å; F265-L269 VanDerWaalsContact O-CB 3.3Å; F265-L269 WeakPolarHBondContact O-CB 3.32Å; F265-L269 PolarHBondContact O-N 3.37Å; P266-L269 WeakPolarHBondContact O-CB 3.45Å; P266-L269 PolarHBondContact O-N 3.45Å; S267-L269 VanDerWaalsContact C-N 3.31Å; S267-L269 PolarHBondContact O-N 2.7Å; L269-I271 PolarHBondContact O-N 2.88Å; L269-L272 PolarHBondContact O-N 3.39Å; L269-I273 HydrophobicContact CD1-CD1 4.09Å; L269-I273 HydrophobicContact CD1-CG1 4.26Å; L269-I273 HydrophobicContact CG-CD1 4.01Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 2.98Å
270A98.8Very high96.1Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-60.5-4417600000112.2F182 A185 E186 P266 S267 L272 I273 A274F182-A270 HydrophobicContact CD1-CB 4.02Å; F182-A270 HydrophobicContact CE1-CB 4.39Å; A185-A270 HydrophobicContact CB-CB 3.75Å; E186-A270 HydrophobicContact CG-CB 4.1Å; P266-A270 PolarHBondContact O-N 3.05Å; S267-A270 PolarHBondContact O-N 2.77Å; A270-L272 VanDerWaalsContact C-N 3.35Å; A270-L272 PolarHBondContact O-N 2.94Å; A270-I273 PolarHBondContact O-N 3.4Å; A270-A274 PolarHBondContact O-N 3.49Å; A270-A274 VanDerWaalsContact O-N 3.08Å
271I98.8Very high96.8Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-59.5-47.9174.1-67.8168.7000110I139 M162 W167 S267 G268 L269 I273 A274 I275I139-I271 HydrophobicContact CD1-CB 4.33Å; I139-I271 HydrophobicContact CD1-CG2 3.84Å; I139-I271 HydrophobicContact CG1-CG2 4.08Å; I139-I271 HydrophobicContact CG2-CD1 4.09Å; I139-I271 HydrophobicContact CG2-CG2 4.22Å; M162-I271 HydrophobicContact CE-CG2 4.05Å; M162-I271 HydrophobicContact SD-CG2 4.39Å; W167-I271 HydrophobicContact CB-CD1 3.96Å; W167-I271 HydrophobicContact CB-CG1 4.42Å; W167-I271 HydrophobicContact CD2-CD1 4.06Å; W167-I271 HydrophobicContact CD2-CG1 4.16Å; W167-I271 HydrophobicContact CG-CD1 3.74Å; W167-I271 HydrophobicContact CG-CG1 3.81Å; S267-I271 WeakPolarHBondContact O-CG1 3.48Å; S267-I271 PolarHBondContact O-N 3.44Å; S267-I271 VanDerWaalsContact O-N 3.11Å; G268-I271 PolarHBondContact O-N 2.99Å; L269-I271 PolarHBondContact O-N 2.88Å; I271-I273 PolarHBondContact O-N 3.21Å; I271-A274 WeakPolarHBondContact O-CB 3.22Å; I271-A274 PolarHBondContact O-N 2.87Å; I271-I275 HydrophobicContact CG2-CD1 3.78Å; I271-I275 HydrophobicContact CG2-CG1 4.39Å; I271-I275 WeakPolarHBondContact O-CG1 3.48Å; I271-I275 PolarHBondContact O-N 2.95Å
272L98.8Very high97.1Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-65.8-38.6-177.2-170.662.5000112.7I139 V215 L218 L236 G268 L269 A270 A274 I275 F276 M284I139-L272 HydrophobicContact CD1-CB 3.87Å; I139-L272 HydrophobicContact CD1-CD1 4.02Å; I139-L272 HydrophobicContact CD1-CG 4.48Å; V215-L272 HydrophobicContact CG2-CD2 4.4Å; L218-L272 HydrophobicContact CD1-CD2 3.28Å; L236-L272 HydrophobicContact CD1-CB 4.49Å; L236-L272 HydrophobicContact CD1-CD2 4.03Å; L236-L272 HydrophobicContact CD1-CG 3.86Å; L236-L272 HydrophobicContact CD2-CD2 3.85Å; G268-L272 WeakPolarHBondContact O-CB 3.33Å; G268-L272 PolarHBondContact O-N 2.97Å; L269-L272 PolarHBondContact O-N 3.39Å; A270-L272 VanDerWaalsContact C-N 3.35Å; A270-L272 PolarHBondContact O-N 2.94Å; L272-A274 VanDerWaalsContact C-N 3.34Å; L272-I275 PolarHBondContact O-N 3.09Å; L272-F276 HydrophobicContact CD1-CD2 4.01Å; L272-F276 HydrophobicContact CD1-CE2 3.94Å; L272-F276 HydrophobicContact CD2-CE2 4.44Å; L272-F276 HydrophobicContact CG-CD2 3.99Å; L272-F276 HydrophobicContact CG-CE2 4.03Å; L272-F276 WeakPolarHBondContact O-CD2 3.46Å; L272-F276 PolarHBondContact O-N 3.04Å; L272-M284 HydrophobicContact CD1-CE 3.77Å; L272-M284 HydrophobicContact CD1-SD 4.01Å
273I98.8Very high97.4Very high0 Ų024.1 Ų24.10%013%0.129CC..Hα-helixtrans-58.1-48.1172.6-73168000110.1E186 L233 L236 Q237 K240 L269 A270 I271 I275 F276 T277E186-I273 HydrophobicContact CG-CB 4.41Å; E186-I273 HydrophobicContact CG-CG2 4.16Å; E186-I273 WeakPolarHBondContact OE2-CG2 3.47Å; L233-I273 HydrophobicContact CD1-CG2 4.13Å; L236-I273 HydrophobicContact CB-CD1 4.28Å; L236-I273 HydrophobicContact CB-CG1 3.66Å; L236-I273 HydrophobicContact CD1-CG1 4.24Å; Q237-I273 VanDerWaalsContact NE2-CG2 3.35Å; K240-I273 HydrophobicContact CB-CD1 3.88Å; K240-I273 HydrophobicContact CD-CD1 4.01Å; L269-I273 HydrophobicContact CD1-CD1 4.09Å; L269-I273 HydrophobicContact CD1-CG1 4.26Å; L269-I273 HydrophobicContact CG-CD1 4.01Å; L269-I273 WeakPolarHBondContact O-CG1 3.3Å; L269-I273 PolarHBondContact O-N 2.98Å; A270-I273 PolarHBondContact O-N 3.4Å; I271-I273 PolarHBondContact O-N 3.21Å; I273-I275 VanDerWaalsContact C-N 3.31Å; I273-I275 PolarHBondContact O-N 2.78Å; I273-F276 PolarHBondContact O-N 3.23Å; I273-T277 PolarHBondContact O-N 3.32Å; I273-T277 PolarHBondContact O-OG1 3.01Å; I273-T277 VanDerWaalsContact O-OG1 3.09Å
274A98.8Very high97.7Very high0 Ų021.8 Ų21.80%012%0.117CC..Hα-helixtrans-59.9-40.7177.600000112.3A189 R190 L193 A270 I271 L272 T277 E278A189-A274 HydrophobicContact CB-CB 3.46Å; A189-A274 VanDerWaalsContact CB-CB 3.46Å; R190-A274 HydrophobicContact CG-CB 3.8Å; L193-A274 HydrophobicContact CD1-CB 4.07Å; A270-A274 PolarHBondContact O-N 3.49Å; A270-A274 VanDerWaalsContact O-N 3.08Å; I271-A274 WeakPolarHBondContact O-CB 3.22Å; I271-A274 PolarHBondContact O-N 2.87Å; L272-A274 VanDerWaalsContact C-N 3.34Å; A274-T277 PolarHBondContact O-N 3.25Å; A274-E278 VanDerWaalsContact O-CB 3.26Å; A274-E278 WeakPolarHBondContact O-CB 3.41Å; A274-E278 PolarHBondContact O-N 2.83Å
275I98.8Very high97.9Very high0 Ų021.8 Ų21.80%012%0.117CC..Hα-helixtrans-62.2-48.1175-66.7169.2000110.8V137 I139 T144 L146 M162 L193 I271 L272 I273 T277 L279 I281V137-I275 HydrophobicContact CG1-CD1 3.68Å; V137-I275 HydrophobicContact CG1-CG2 4.4Å; V137-I275 HydrophobicContact CG2-CG2 4.25Å; I139-I275 HydrophobicContact CD1-CD1 4.16Å; I139-I275 HydrophobicContact CG1-CD1 4.26Å; T144-I275 HydrophobicContact CG2-CD1 3.96Å; L146-I275 HydrophobicContact CD2-CD1 4.37Å; L146-I275 HydrophobicContact CD2-CG2 4.37Å; M162-I275 HydrophobicContact CE-CD1 4.11Å; M162-I275 HydrophobicContact CE-CG1 4.22Å; L193-I275 HydrophobicContact CD1-CB 4.41Å; L193-I275 HydrophobicContact CD1-CG1 3.78Å; L193-I275 HydrophobicContact CD2-CG1 4.08Å; I271-I275 HydrophobicContact CG2-CD1 3.78Å; I271-I275 HydrophobicContact CG2-CG1 4.39Å; I271-I275 WeakPolarHBondContact O-CG1 3.48Å; I271-I275 PolarHBondContact O-N 2.95Å; L272-I275 PolarHBondContact O-N 3.09Å; I273-I275 VanDerWaalsContact C-N 3.31Å; I273-I275 PolarHBondContact O-N 2.78Å; I275-T277 VanDerWaalsContact C-N 3.34Å; I275-T277 PolarHBondContact O-N 2.96Å; I275-L279 HydrophobicContact CG2-CD1 3.95Å; I275-L279 VanDerWaalsContact O-CB 3.26Å; I275-L279 WeakPolarHBondContact O-CB 2.93Å; I275-L279 PolarHBondContact O-N 2.72Å; I275-I281 HydrophobicContact CG2-CD1 3.73Å
276F98.7Very high97.8Very high2 Ų222.3 Ų22.31%0.00912%0.12CC..Hα-helixtrans-58.9-45.2177.8-96.4-106.4000112.3I231 L233 L236 L272 I273 N280 I281 M284I231-F276 HydrophobicContact CB-CZ 4.31Å; I231-F276 HydrophobicContact CG2-CE2 4.14Å; I231-F276 HydrophobicContact CG2-CZ 3.78Å; I231-F276 WeakPolarHBondContact O-CZ 3.29Å; L233-F276 HydrophobicContact CB-CB 4.36Å; L233-F276 HydrophobicContact CB-CD1 3.98Å; L233-F276 HydrophobicContact CD1-CB 3.98Å; L236-F276 HydrophobicContact CD1-CB 4.44Å; L236-F276 HydrophobicContact CD1-CD1 4.41Å; L236-F276 HydrophobicContact CD1-CD2 3.6Å; L236-F276 HydrophobicContact CD1-CE2 3.82Å; L236-F276 HydrophobicContact CD1-CG 3.9Å; L236-F276 HydrophobicContact CD1-CZ 4.31Å; L272-F276 HydrophobicContact CD1-CD2 4.01Å; L272-F276 HydrophobicContact CD1-CE2 3.94Å; L272-F276 HydrophobicContact CD2-CE2 4.44Å; L272-F276 HydrophobicContact CG-CD2 3.99Å; L272-F276 HydrophobicContact CG-CE2 4.03Å; L272-F276 WeakPolarHBondContact O-CD2 3.46Å; L272-F276 PolarHBondContact O-N 3.04Å; I273-F276 PolarHBondContact O-N 3.23Å; F276-N280 WeakPolarHBondContact O-CA 3.4Å; F276-N280 PolarHBondContact O-N 2.95Å; F276-I281 HydrophobicContact CD1-CB 3.82Å; F276-I281 HydrophobicContact CD1-CG2 3.92Å; F276-I281 VanDerWaalsContact CD1-O 3.25Å; F276-I281 WeakPolarHBondContact CD1-O 3.29Å; F276-I281 HydrophobicContact CD2-CD1 4.41Å; F276-I281 HydrophobicContact CE1-CB 4.1Å; F276-I281 HydrophobicContact CE1-CG2 3.64Å; F276-I281 HydrophobicContact CE2-CG2 4.34Å; F276-I281 HydrophobicContact CG-CB 4.07Å; F276-I281 HydrophobicContact CG-CG2 4.39Å; F276-I281 HydrophobicContact CZ-CG2 3.89Å; F276-I281 PolarHBondContact O-N 3.09Å; F276-M284 HydrophobicContact CE2-CB 3.95Å; F276-M284 HydrophobicContact CE2-CE 3.93Å; F276-M284 HydrophobicContact CE2-SD 4.18Å; F276-M284 HydrophobicContact CZ-CB 3.55Å
277T98.2Very high97.7Very high54 Ų5422.9 Ų22.933%0.33112%0.124SC..Hα-helixtrans-67.9-50.6179.8-58.30000111.9I273 A274 I275 L279 N280I273-T277 PolarHBondContact O-N 3.32Å; I273-T277 PolarHBondContact O-OG1 3.01Å; I273-T277 VanDerWaalsContact O-OG1 3.09Å; A274-T277 PolarHBondContact O-N 3.25Å; I275-T277 VanDerWaalsContact C-N 3.34Å; I275-T277 PolarHBondContact O-N 2.96Å; T277-L279 VanDerWaalsContact C-N 3.34Å; T277-L279 PolarHBondContact O-N 3.46Å; T277-N280 PolarHBondContact O-N 2.81Å
278E98.1Very high97.5Very high35 Ų3525.1 Ų25.116%0.16415%0.148CC..Hα-helixtrans-69.8-33.2-174.3-163.364.5-145.300111.6L193 R194 A197 R201 A274L193-E278 HydrophobicContact CB-CB 4.31Å; L193-E278 HydrophobicContact CB-CG 3.94Å; L193-E278 HydrophobicContact CD1-CB 4.2Å; R194-E278 WeakPolarHBondContact CG-OE1 3.43Å; A197-E278 HydrophobicContact CB-CG 3.84Å; R201-E278 PolarHBondContact NH1-O 3.08Å; A274-E278 VanDerWaalsContact O-CB 3.26Å; A274-E278 WeakPolarHBondContact O-CB 3.41Å; A274-E278 PolarHBondContact O-N 2.83Å
279L98.2Very high97.3Very high4 Ų425.5 Ų25.52%0.02115%0.151CC..Hα-helixtrans-95.70.3-179.3-62-174.2000114L135 A197 L200 R201 W205 I275 T277 I281L135-L279 HydrophobicContact CD2-CD1 3.71Å; A197-L279 HydrophobicContact CB-CD2 3.94Å; L200-L279 HydrophobicContact CB-CD2 4.08Å; L200-L279 HydrophobicContact CD1-CD1 4.07Å; L200-L279 HydrophobicContact CD1-CD2 3.99Å; R201-L279 HydrophobicContact CG-CD2 4.49Å; W205-L279 HydrophobicContact CH2-CB 3.78Å; W205-L279 HydrophobicContact CH2-CD1 4.35Å; W205-L279 HydrophobicContact CH2-CD2 4.44Å; W205-L279 HydrophobicContact CH2-CG 4.41Å; W205-L279 HydrophobicContact CZ2-CB 4.03Å; W205-L279 WeakPolarHBondContact CZ2-O 3.46Å; I275-L279 HydrophobicContact CG2-CD1 3.95Å; I275-L279 VanDerWaalsContact O-CB 3.26Å; I275-L279 WeakPolarHBondContact O-CB 2.93Å; I275-L279 PolarHBondContact O-N 2.72Å; T277-L279 VanDerWaalsContact C-N 3.34Å; T277-L279 PolarHBondContact O-N 3.46Å; L279-I281 VanDerWaalsContact C-N 3.25Å; L279-I281 HydrophobicContact CB-CD1 4.07Å; L279-I281 HydrophobicContact CB-CG1 3.86Å; L279-I281 HydrophobicContact CD1-CD1 4.34Å; L279-I281 PolarHBondContact O-N 3.15Å
280N97.1Very high97.1Very high111 Ų11126 Ų2659%0.59416%0.156SC*.THydrogen-bonded Turntrans52.440.5-175.4-62.9-53.3000113.5F276 T277 Q282F276-N280 WeakPolarHBondContact O-CA 3.4Å; F276-N280 PolarHBondContact O-N 2.95Å; T277-N280 PolarHBondContact O-N 2.81Å; N280-Q282 PolarHBondContact O-N 2.95Å; N280-Q282 PolarHBondContact O-NE2 3.36Å
281I98.2Very high97Very high7 Ų726.5 Ų26.54%0.03616%0.158CC..  trans-70.1123.5-179.1-62.2166.9000109.2L135 W205 C208 I275 F276 L279 C283L135-I281 HydrophobicContact CD2-CD1 3.83Å; L135-I281 HydrophobicContact CD2-CG1 4.19Å; W205-I281 HydrophobicContact CZ2-CG1 3.86Å; C208-I281 HydrophobicContact CB-CG2 3.89Å; I275-I281 HydrophobicContact CG2-CD1 3.73Å; F276-I281 HydrophobicContact CD1-CB 3.82Å; F276-I281 HydrophobicContact CD1-CG2 3.92Å; F276-I281 VanDerWaalsContact CD1-O 3.25Å; F276-I281 WeakPolarHBondContact CD1-O 3.29Å; F276-I281 HydrophobicContact CD2-CD1 4.41Å; F276-I281 HydrophobicContact CE1-CB 4.1Å; F276-I281 HydrophobicContact CE1-CG2 3.64Å; F276-I281 HydrophobicContact CE2-CG2 4.34Å; F276-I281 HydrophobicContact CG-CB 4.07Å; F276-I281 HydrophobicContact CG-CG2 4.39Å; F276-I281 HydrophobicContact CZ-CG2 3.89Å; F276-I281 PolarHBondContact O-N 3.09Å; L279-I281 VanDerWaalsContact C-N 3.25Å; L279-I281 HydrophobicContact CB-CD1 4.07Å; L279-I281 HydrophobicContact CB-CG1 3.86Å; L279-I281 HydrophobicContact CD1-CD1 4.34Å; L279-I281 PolarHBondContact O-N 3.15Å; I281-C283 VanDerWaalsContact CG2-O 3.27Å; I281-C283 WeakPolarHBondContact CG2-O 3.31Å
282Q96.6Very high96.9Very high156 Ų15628.6 Ų28.673%0.72917%0.166SC*.  trans-77.8-46.4177.8-60-56.2-48.700111.7N280N280-Q282 PolarHBondContact O-N 2.95Å; N280-Q282 PolarHBondContact O-NE2 3.36Å
283C96Very high96.7Very high53 Ų5328.9 Ų28.936%0.35817%0.167SC..  trans-149.9157.9174.864.50000112.2C208 R230 I231 I281C208-C283 WeakPolarHBondContact CB-O 3.24Å; R230-C283 HydrophobicContact CB-CB 4.21Å; I231-C283 CarbonylContact O-C 3.6Å; I231-C283 WeakPolarHBondContact O-CA 3.38Å; I281-C283 VanDerWaalsContact CG2-O 3.27Å; I281-C283 WeakPolarHBondContact CG2-O 3.31Å
284M97.5Very high96.5Very high1 Ų128.9 Ų28.91%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-134144.9173.8178.2-172.2-77.300110.4V137 C208 V215 I231 L272 F276V137-M284 HydrophobicContact CB-CE 3.82Å; V137-M284 HydrophobicContact CG1-CE 4.33Å; V137-M284 HydrophobicContact CG2-CE 3.69Å; C208-M284 HydrophobicContact CB-CB 4.41Å; C208-M284 VanDerWaalsContact O-CA 3.27Å; C208-M284 WeakPolarHBondContact O-CA 3.42Å; C208-M284 WeakPolarHBondContact SG-CE 3.3Å; V215-M284 HydrophobicContact CG1-SD 4.45Å; V215-M284 HydrophobicContact CG2-SD 3.9Å; I231-M284 HydrophobicContact CB-CB 4.27Å; I231-M284 WeakPolarHBondContact CB-O 3.42Å; I231-M284 PolarHBondContact N-O 3.13Å; I231-M284 PolarHBondContact O-N 2.87Å; L272-M284 HydrophobicContact CD1-CE 3.77Å; L272-M284 HydrophobicContact CD1-SD 4.01Å; F276-M284 HydrophobicContact CE2-CB 3.95Å; F276-M284 HydrophobicContact CE2-CE 3.93Å; F276-M284 HydrophobicContact CE2-SD 4.18Å; F276-M284 HydrophobicContact CZ-CB 3.55Å
285T95.4Very high96.3Very high31 Ų3129.4 Ų29.419%0.1917%0.17CC..EExtended strand (participates in β ladder)trans-117.9167.7169.856.70000111.3C208 V209 G210 R230C208-T285 PolarHBondContact O-N 3.45Å; C208-T285 VanDerWaalsContact O-N 3.08Å; V209-T285 CarbonylContact C-O 3.51Å; V209-T285 WeakPolarHBondContact CA-O 3.32Å; G210-T285 PolarHBondContact N-O 2.87Å; R230-T285 HydrophobicContact CG-CG2 4.48Å
286L96.1Very high96.1Very high14 Ų1429.4 Ų29.47%0.07317%0.17CC..EExtended strand (participates in β ladder)trans-77.7133.5176.4175.373000110.7V215 Q216 Q219 P391V215-L286 HydrophobicContact CB-CD1 4.49Å; V215-L286 HydrophobicContact CG1-CB 4.33Å; V215-L286 HydrophobicContact CG1-CD1 3.87Å; Q216-L286 HydrophobicContact CB-CD1 4.24Å; Q219-L286 HydrophobicContact CB-CD2 4.44Å; Q219-L286 HydrophobicContact CG-CB 3.62Å; Q219-L286 HydrophobicContact CG-CD2 3.98Å; Q219-L286 HydrophobicContact CG-CG 4.28Å; L286-P391 HydrophobicContact CD2-CG 4.22Å
287A95.9Very high95.7Very high12 Ų1230 Ų3010%0.09917%0.172CC..  trans-73147.1171.700000112.1V124 T128 V209 G210 A211 G289V124-A287 HydrophobicContact CG2-CB 3.86Å; T128-A287 WeakPolarHBondContact OG1-CA 3.42Å; V209-A287 HydrophobicContact CB-CB 4.42Å; G210-A287 WeakPolarHBondContact O-CB 3.43Å; G210-A287 PolarHBondContact O-N 2.84Å; A211-A287 HydrophobicContact CB-CB 4.05Å; A287-G289 VanDerWaalsContact C-N 3.28Å; A287-G289 PolarHBondContact O-N 3.43Å
288G92.1Very high95.2Very high48 Ų4830 Ų3050%0.49518%0.183SC..SBendtrans-74.2-14.8175.800000114.5T128T128-G288 PolarHBondContact OG1-N 2.48Å
289G93.4Very high94.9Very high7 Ų729.2 Ų29.27%0.07218%0.18CC..  trans-168167.5-174.800000111.6V124 T127 A287V124-G289 VanDerWaalsContact CG2-O 3.27Å; V124-G289 WeakPolarHBondContact CG2-O 3.48Å; T127-G289 WeakPolarHBondContact OG1-CA 3.46Å; T127-G289 PolarHBondContact OG1-N 3.3Å; A287-G289 VanDerWaalsContact C-N 3.28Å; A287-G289 PolarHBondContact O-N 3.43Å
290A94.9Very high94.3Very high11 Ų1129.3 Ų29.39%0.09118%0.18CC..  trans-146-139.3-174.100000110.2G123 A211 R292 E293 G294G123-A290 WeakPolarHBondContact CA-O 3.47Å; A211-A290 HydrophobicContact CB-CB 3.9Å; A290-R292 PolarHBondContact O-N 2.96Å; A290-E293 PolarHBondContact N-OE2 3.5Å; A290-E293 PolarHBondContact O-N 2.92Å; A290-G294 PolarHBondContact O-N 3.09Å
291L96.9Very high93.3Very high10 Ų1033 Ų335%0.05219%0.194CC..Hα-helixtrans-51-47.8-177.2-179.456.7000114.1D12 V82 T84 I111 E116 L119 I120 G294 L295D12-L291 HydrophobicContact CB-CD2 3.84Å; V82-L291 HydrophobicContact CG2-CD1 4.49Å; V82-L291 HydrophobicContact CG2-CD2 4.08Å; V82-L291 HydrophobicContact CG2-CG 4.44Å; T84-L291 HydrophobicContact CG2-CD2 3.95Å; I111-L291 HydrophobicContact CD1-CD1 4.27Å; E116-L291 HydrophobicContact CG-CD2 4.44Å; L119-L291 HydrophobicContact CB-CD1 3.58Å; L119-L291 HydrophobicContact CD1-CD1 3.94Å; L119-L291 HydrophobicContact CG-CD1 4.43Å; I120-L291 HydrophobicContact CG1-CB 3.85Å; L291-G294 PolarHBondContact O-N 3.24Å; L291-L295 HydrophobicContact CD1-CG 4.48Å; L291-L295 HydrophobicContact CG-CD1 4.38Å; L291-L295 WeakPolarHBondContact O-CG 3.12Å; L291-L295 PolarHBondContact O-N 3.31Å
292R95.9Very high92.3Very high45 Ų4534.4 Ų34.417%0.1720%0.201CC..Hα-helixtrans-67.2-43.4-175.7-70.5176-67.9-86.3-4.6112.5A10 D12 H19 L21 A290 G294 L295 V296A10-R292 HydrophobicContact CB-CB 4.38Å; D12-R292 HydrophobicContact CB-CG 4.42Å; D12-R292 VanDerWaalsContact CG-NH1 3.33Å; D12-R292 VanDerWaalsContact OD1-CD 3.29Å; D12-R292 WeakPolarHBondContact OD1-CD 3.31Å; D12-R292 WeakPolarHBondContact OD1-CG 3.36Å; D12-R292 IonicContact OD1-CZ 3.57Å; D12-R292 IonicContact OD1-NE 3.61Å; D12-R292 IonicContact OD1-NH1 3.52Å; D12-R292 PolarHBondContact OD1-NH1 3.47Å; D12-R292 IonicContact OD2-NH1 3.18Å; D12-R292 PolarHBondContact OD2-NH1 3.33Å; D12-R292 VanDerWaalsContact OD2-NH1 3.17Å; H19-R292 PolarHBondContact CD2-NH1 3.17Å; H19-R292 VanDerWaalsContact CD2-NH1 3.34Å; H19-R292 PolarHBondContact ND1-NH1 3.27Å; H19-R292 VanDerWaalsContact ND1-NH1 3.13Å; L21-R292 HydrophobicContact CB-CB 4.07Å; L21-R292 HydrophobicContact CB-CG 4.44Å; L21-R292 HydrophobicContact CD2-CB 3.93Å; A290-R292 PolarHBondContact O-N 2.96Å; R292-G294 VanDerWaalsContact C-N 3.28Å; R292-G294 PolarHBondContact O-N 2.83Å; R292-L295 PolarHBondContact O-N 2.78Å; R292-V296 WeakPolarHBondContact O-CG2 3.49Å; R292-V296 PolarHBondContact O-N 3.4Å
293E94.2Very high91.2Very high5 Ų532.4 Ų32.42%0.02320%0.2CC..Hα-helixtrans-60.6-43.2173.7-69.475.3-166.300109.7L21 R35 T127 A290 L295 V296 Y297L21-E293 HydrophobicContact CD2-CG 4.43Å; R35-E293 IonicContact CZ-OE1 3.17Å; R35-E293 IonicContact NH1-OE1 3.57Å; R35-E293 PolarHBondContact NH1-OE1 2.95Å; R35-E293 IonicContact NH2-OE1 3.31Å; R35-E293 PolarHBondContact NH2-OE1 3.01Å; T127-E293 HydrophobicContact CG2-CB 4.24Å; T127-E293 HydrophobicContact CG2-CG 4.12Å; A290-E293 PolarHBondContact N-OE2 3.5Å; A290-E293 PolarHBondContact O-N 2.92Å; E293-L295 PolarHBondContact O-N 2.69Å; E293-V296 PolarHBondContact O-N 3.47Å; E293-Y297 HydrophobicContact CB-CD2 4.27Å; E293-Y297 HydrophobicContact CB-CE2 4.32Å; E293-Y297 WeakPolarHBondContact O-CB 3.3Å; E293-Y297 WeakPolarHBondContact O-CD2 3.47Å; E293-Y297 PolarHBondContact O-N 3.17Å
294G94.7Very high90.2Very high0 Ų032 Ų320%020%0.195CC..Hα-helixtrans-57.1-44.217400000113.7L119 G123 A290 L291 R292 G298L119-G294 WeakPolarHBondContact O-CA 3.34Å; G123-G294 VanDerWaalsContact CA-N 3.32Å; A290-G294 PolarHBondContact O-N 3.09Å; L291-G294 PolarHBondContact O-N 3.24Å; R292-G294 VanDerWaalsContact C-N 3.28Å; R292-G294 PolarHBondContact O-N 2.83Å; G294-G298 PolarHBondContact O-N 3.48Å
295L95.5Very high89.3Confident12 Ų1235.1 Ų35.16%0.06321%0.21CC..Hα-helixtrans-62.8-45.5174.7-70.1168.2000112.2A10 R80 V82 L119 L291 R292 E293 G298 M299A10-L295 HydrophobicContact CB-CB 3.75Å; A10-L295 HydrophobicContact CB-CD1 4.03Å; R80-L295 HydrophobicContact CB-CD2 4.43Å; V82-L295 HydrophobicContact CG1-CD1 4.18Å; V82-L295 HydrophobicContact CG1-CD2 3.66Å; V82-L295 HydrophobicContact CG2-CD1 3.7Å; L119-L295 HydrophobicContact CD1-CD2 3.82Å; L119-L295 HydrophobicContact CD2-CD2 4.23Å; L291-L295 HydrophobicContact CD1-CG 4.48Å; L291-L295 HydrophobicContact CG-CD1 4.38Å; L291-L295 WeakPolarHBondContact O-CG 3.12Å; L291-L295 PolarHBondContact O-N 3.31Å; R292-L295 PolarHBondContact O-N 2.78Å; E293-L295 PolarHBondContact O-N 2.69Å; L295-G298 PolarHBondContact O-N 3.04Å; L295-M299 WeakPolarHBondContact O-CG 3.4Å; L295-M299 PolarHBondContact O-N 3.29Å; L295-M299 VanDerWaalsContact O-N 3.15Å
296V94.1Very high88.4Confident0 Ų040.9 Ų40.90%024%0.235CC..Hα-helixtrans-61.9-51.2178.21660000110.8A10 L21 V23 I30 R292 E293 G298 M299 L300A10-V296 HydrophobicContact CB-CG2 3.78Å; L21-V296 HydrophobicContact CD2-CG2 3.87Å; L21-V296 HydrophobicContact CG-CG2 4.37Å; V23-V296 HydrophobicContact CG1-CG1 4.3Å; V23-V296 HydrophobicContact CG1-CG2 4.35Å; V23-V296 HydrophobicContact CG2-CG1 3.55Å; V23-V296 HydrophobicContact CG2-CG2 4.19Å; I30-V296 HydrophobicContact CD1-CG1 4.39Å; I30-V296 HydrophobicContact CG2-CG1 4.13Å; R292-V296 WeakPolarHBondContact O-CG2 3.49Å; R292-V296 PolarHBondContact O-N 3.4Å; E293-V296 PolarHBondContact O-N 3.47Å; V296-G298 PolarHBondContact O-N 3.48Å; V296-M299 HydrophobicContact CG2-CE 4.25Å; V296-M299 WeakPolarHBondContact O-CB 3.26Å; V296-M299 PolarHBondContact O-N 3.05Å; V296-L300 HydrophobicContact CG1-CD1 3.63Å; V296-L300 HydrophobicContact CG1-CG 4.36Å; V296-L300 WeakPolarHBondContact O-CG 3.37Å; V296-L300 PolarHBondContact O-N 3.16Å
297Y90.5Very high88Confident14 Ų1444 Ų446%0.05525%0.251CS..Hα-helixtrans-66.9-21.5177.1-74.3-67.3000113I30 H126 T127 E293 L302I30-Y297 HydrophobicContact CD1-CE1 4.3Å; I30-Y297 HydrophobicContact CD1-CE2 3.78Å; I30-Y297 WeakPolarHBondContact CD1-OH 3.49Å; I30-Y297 HydrophobicContact CG2-CE1 4.3Å; H126-Y297 HydrophobicContact CB-CD1 4.14Å; H126-Y297 HydrophobicContact CB-CD2 3.4Å; H126-Y297 HydrophobicContact CB-CE1 4.03Å; H126-Y297 HydrophobicContact CB-CE2 3.29Å; H126-Y297 HydrophobicContact CB-CG 3.85Å; H126-Y297 AromaticContact CD2-CD1 3.45Å; H126-Y297 VanDerWaalsContact CD2-CD1 3.45Å; H126-Y297 WeakPolarHBondContact CD2-CD1 3.4Å; H126-Y297 AromaticContact CD2-CE1 3.78Å; H126-Y297 AromaticContact CD2-CG 3.68Å; H126-Y297 AromaticContact CE1-CG 3.9Å; H126-Y297 AromaticContact CG-CD1 3.75Å; H126-Y297 AromaticContact CG-CD2 3.59Å; H126-Y297 AromaticContact CG-CE2 3.94Å; H126-Y297 AromaticContact CG-CG 3.51Å; H126-Y297 AromaticContact ND1-CD2 3.88Å; H126-Y297 AromaticContact ND1-CG 3.69Å; H126-Y297 AromaticContact NE2-CD1 3.82Å; H126-Y297 AromaticContact NE2-CG 3.92Å; T127-Y297 HydrophobicContact CG2-CE2 3.84Å; E293-Y297 HydrophobicContact CB-CD2 4.27Å; E293-Y297 HydrophobicContact CB-CE2 4.32Å; E293-Y297 WeakPolarHBondContact O-CB 3.3Å; E293-Y297 WeakPolarHBondContact O-CD2 3.47Å; E293-Y297 PolarHBondContact O-N 3.17Å; Y297-L302 HydrophobicContact CD1-CD1 4.28Å; Y297-L302 HydrophobicContact CE1-CD1 4.17Å
298G88.9Confident87.7Confident54 Ų5443.5 Ų43.556%0.55725%0.247SC*.Hα-helixtrans-74-25170.100000113.7G294 L295 V296G294-G298 PolarHBondContact O-N 3.48Å; L295-G298 PolarHBondContact O-N 3.04Å; V296-G298 PolarHBondContact O-N 3.48Å
299M91.4Very high87.8Confident19 Ų1942.3 Ų42.39%0.09423%0.227CC..Hα-helixtrans-83.7-36.1173.6-67.5-175-74.600112.1Y8 R80 L295 V296 H301Y8-M299 HydrophobicContact CD1-CB 3.88Å; Y8-M299 HydrophobicContact CD1-CE 4.16Å; Y8-M299 HydrophobicContact CD1-SD 3.97Å; Y8-M299 HydrophobicContact CE1-CB 4.11Å; R80-M299 HydrophobicContact CB-CE 4.4Å; R80-M299 HydrophobicContact CB-SD 4.1Å; R80-M299 HydrophobicContact CG-CE 4.22Å; R80-M299 HydrophobicContact CG-CG 3.73Å; R80-M299 HydrophobicContact CG-SD 3.37Å; R80-M299 WeakPolarHBondContact CG-SD 3.21Å; L295-M299 WeakPolarHBondContact O-CG 3.4Å; L295-M299 PolarHBondContact O-N 3.29Å; L295-M299 VanDerWaalsContact O-N 3.15Å; V296-M299 HydrophobicContact CG2-CE 4.25Å; V296-M299 WeakPolarHBondContact O-CB 3.26Å; V296-M299 PolarHBondContact O-N 3.05Å; M299-H301 PolarHBondContact O-ND1 3.24Å
300L86.3Confident87.7Confident5 Ų544.3 Ų44.33%0.02624%0.24CC..SBendtrans-84.7123.6179.4-60173.1000108.7Y8 E25 I30 V296 L302Y8-L300 HydrophobicContact CD1-CD2 4.28Å; Y8-L300 HydrophobicContact CD2-CD2 3.73Å; Y8-L300 HydrophobicContact CE1-CD2 3.97Å; Y8-L300 HydrophobicContact CE2-CD2 3.41Å; Y8-L300 VanDerWaalsContact CE2-CD2 3.41Å; Y8-L300 HydrophobicContact CG-CD2 4.17Å; E25-L300 HydrophobicContact CB-CD2 4.11Å; E25-L300 HydrophobicContact CG-CD2 4.25Å; I30-L300 HydrophobicContact CG2-CD1 3.16Å; V296-L300 HydrophobicContact CG1-CD1 3.63Å; V296-L300 HydrophobicContact CG1-CG 4.36Å; V296-L300 WeakPolarHBondContact O-CG 3.37Å; V296-L300 PolarHBondContact O-N 3.16Å; L300-L302 HydrophobicContact CB-CD1 3.91Å; L300-L302 HydrophobicContact CB-CG 3.88Å; L300-L302 HydrophobicContact CD1-CD1 3.96Å; L300-L302 PolarHBondContact O-N 2.82Å
301H75.9Confident87.5Confident190 Ų19044.5 Ų44.588%0.8824%0.239SC*.  trans-78.742.3-178.7-62.549000111.3M299M299-H301 PolarHBondContact O-ND1 3.24Å
302L75.8Confident87.3Confident35 Ų3544.3 Ų44.318%0.18324%0.238CC..  trans-82.6136.6-177.7-64174.5000109.8I30 Y297 L300I30-L302 HydrophobicContact CG2-CD1 4.42Å; Y297-L302 HydrophobicContact CD1-CD1 4.28Å; Y297-L302 HydrophobicContact CE1-CD1 4.17Å; L300-L302 HydrophobicContact CB-CD1 3.91Å; L300-L302 HydrophobicContact CB-CG 3.88Å; L300-L302 HydrophobicContact CD1-CD1 3.96Å; L300-L302 PolarHBondContact O-N 2.82Å
303T75Confident87.3Confident115 Ų11542.6 Ų42.671%0.70623%0.232SC*.  trans-70.2134.6175-48.10000110.3E305T303-E305 PolarHBondContact O-N 2.91Å; T303-E305 VanDerWaalsContact O-N 3.12Å
304V73.7Confident87.3Confident44 Ų4448.2 Ų48.227%0.26725%0.253SS..  trans-68.6107.8165.9-175.90000107.1H126 A152H126-V304 WeakPolarHBondContact CE1-CG2 3.44Å; H126-V304 WeakPolarHBondContact NE2-CG2 3.47Å; A152-V304 HydrophobicContact CB-CB 3.95Å; A152-V304 HydrophobicContact CB-CG1 4.02Å; A152-V304 HydrophobicContact CB-CG2 3.7Å
305E79.5Confident87.1Confident67 Ų6750.2 Ų50.231%0.31326%0.264SS..  trans-78.4138.3168.8-65.3-167.7-15300109.8T303 D307 R311 R314T303-E305 PolarHBondContact O-N 2.91Å; T303-E305 VanDerWaalsContact O-N 3.12Å; E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 2.7Å; E305-R311 HydrophobicContact CG-CG 4.49Å; E305-R311 WeakPolarHBondContact OE1-CG 3.4Å; E305-R311 WeakPolarHBondContact OE2-CB 3.34Å; E305-R314 IonicContact OE1-CZ 2.58Å; E305-R314 IonicContact OE1-NH2 3.83Å; E305-R314 PolarHBondContact OE1-NH2 2.77Å; E305-R314 IonicContact OE2-CZ 3.78Å; E305-R314 IonicContact OE2-NH2 2.78Å; E305-R314 PolarHBondContact OE2-NH2 2.8Å
306Q75.1Confident87Confident152 Ų15250.2 Ų50.271%0.7126%0.264SS*.SBendtrans-60.6-44.3176.6-72.5178.1-24.600111.2I308Q306-I308 PolarHBondContact O-N 3.5Å
307D88.1Confident87.1Confident78 Ų7850.7 Ų50.742%0.41727%0.266SS..  trans-97.788.8177.8-169.3-12.6000112.2E305 R309 S310 R311E305-D307 VanDerWaalsContact C-N 3.33Å; E305-D307 PolarHBondContact O-N 2.7Å; D307-R309 VanDerWaalsContact C-N 3.27Å; D307-R309 PolarHBondContact O-N 2.92Å; D307-R309 WeakPolarHBondContact OD1-CB 3.41Å; D307-R309 PolarHBondContact OD1-N 3.04Å; D307-S310 PolarHBondContact O-N 2.82Å; D307-S310 PolarHBondContact OD1-N 3.01Å; D307-S310 WeakPolarHBondContact OD2-CB 3.49Å; D307-S310 PolarHBondContact OD2-OG 3.3Å; D307-R311 PolarHBondContact O-N 3.26Å
308I90.3Very high87.2Confident2 Ų259 Ų591%0.0130%0.297CS..Hα-helixtrans-62.3-35.5177.9-59.6158.9000111.3A125 T128 Q306 R311 T312 P387A125-I308 WeakPolarHBondContact O-CD1 3.33Å; T128-I308 WeakPolarHBondContact O-CD1 3.28Å; Q306-I308 PolarHBondContact O-N 3.5Å; I308-R311 PolarHBondContact O-N 2.79Å; I308-T312 WeakPolarHBondContact O-CB 3.47Å; I308-T312 PolarHBondContact O-N 2.83Å; I308-T312 PolarHBondContact O-OG1 3.23Å; I308-P387 HydrophobicContact CG2-CB 4.1Å
309R93.3Very high87.4Confident23 Ų2363.9 Ų63.99%0.08730%0.299CS..Hα-helixtrans-67.4-49.3179.8-69.6-179.9-177.3148-6.2109.8D307 R311 T312 L313 D353 G388 F389D307-R309 VanDerWaalsContact C-N 3.27Å; D307-R309 PolarHBondContact O-N 2.92Å; D307-R309 WeakPolarHBondContact OD1-CB 3.41Å; D307-R309 PolarHBondContact OD1-N 3.04Å; R309-R311 VanDerWaalsContact C-N 3.3Å; R309-R311 PolarHBondContact O-N 3.15Å; R309-T312 WeakPolarHBondContact O-CB 3.33Å; R309-T312 PolarHBondContact O-N 3.22Å; R309-T312 VanDerWaalsContact O-N 3.09Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.48Å; R309-L313 PolarHBondContact O-N 2.74Å; R309-D353 IonicContact NH1-OD2 2.84Å; R309-G388 WeakPolarHBondContact CG-O 3.29Å; R309-G388 PolarHBondContact NE-O 3.32Å; R309-F389 HydrophobicContact CB-CE1 4.41Å; R309-F389 HydrophobicContact CB-CE2 3.81Å; R309-F389 HydrophobicContact CB-CZ 3.68Å; R309-F389 HydrophobicContact CG-CD1 4.42Å; R309-F389 HydrophobicContact CG-CD2 4.16Å; R309-F389 HydrophobicContact CG-CE1 4.02Å; R309-F389 HydrophobicContact CG-CE2 3.76Å; R309-F389 HydrophobicContact CG-CG 4.49Å; R309-F389 HydrophobicContact CG-CZ 3.69Å
310S92.7Very high87.5Confident49 Ų4964.5 Ų64.534%0.34330%0.301SS..Hα-helixtrans-58.7-40.5175.9-740000112.3D307 L313 R314D307-S310 PolarHBondContact O-N 2.82Å; D307-S310 PolarHBondContact OD1-N 3.01Å; D307-S310 WeakPolarHBondContact OD2-CB 3.49Å; D307-S310 PolarHBondContact OD2-OG 3.3Å; S310-L313 PolarHBondContact O-N 3.31Å; S310-R314 WeakPolarHBondContact O-CB 3.1Å; S310-R314 WeakPolarHBondContact O-CG 3.14Å; S310-R314 PolarHBondContact O-N 2.67Å
311R90.7Very high87.9Confident15 Ų1572.3 Ų72.36%0.05734%0.339CS..Hα-helixtrans-59.7-47.8172.6-171.9-17664178.3-1112H126 E305 D307 I308 R309 R314 N315H126-R311 PolarHBondContact O-NH2 2.86Å; E305-R311 HydrophobicContact CG-CG 4.49Å; E305-R311 WeakPolarHBondContact OE1-CG 3.4Å; E305-R311 WeakPolarHBondContact OE2-CB 3.34Å; D307-R311 PolarHBondContact O-N 3.26Å; I308-R311 PolarHBondContact O-N 2.79Å; R309-R311 VanDerWaalsContact C-N 3.3Å; R309-R311 PolarHBondContact O-N 3.15Å; R311-R314 PolarHBondContact O-N 3.27Å; R311-N315 WeakPolarHBondContact O-CB 3.28Å; R311-N315 VanDerWaalsContact O-CG 3.25Å; R311-N315 PolarHBondContact O-N 3.25Å; R311-N315 PolarHBondContact O-ND2 2.86Å
312T92.8Very high88.9Confident7 Ų763.9 Ų63.94%0.04330%0.301CS..Hα-helixtrans-60.2-46.2178.2-68.20000111.6I308 R309 N315 I316 L386 P387 F389I308-T312 WeakPolarHBondContact O-CB 3.47Å; I308-T312 PolarHBondContact O-N 2.83Å; I308-T312 PolarHBondContact O-OG1 3.23Å; R309-T312 WeakPolarHBondContact O-CB 3.33Å; R309-T312 PolarHBondContact O-N 3.22Å; R309-T312 VanDerWaalsContact O-N 3.09Å; T312-N315 PolarHBondContact O-N 3.4Å; T312-I316 HydrophobicContact CG2-CD1 3.95Å; T312-I316 WeakPolarHBondContact O-CG1 3.49Å; T312-I316 PolarHBondContact O-N 3.17Å; T312-L386 HydrophobicContact CG2-CB 4.27Å; T312-L386 HydrophobicContact CG2-CG 4.27Å; T312-P387 WeakPolarHBondContact CB-O 3.26Å; T312-P387 PolarHBondContact OG1-O 3.19Å; T312-F389 HydrophobicContact CG2-CD2 4.48Å; T312-F389 HydrophobicContact CG2-CE2 4.29Å
313L95.3Very high89.9Confident9 Ų965.9 Ų65.95%0.04731%0.312CS..Hα-helixtrans-61.1-47.5178.1-65.2173.9000111.7R309 S310 N315 I316 Q317 Q360 L361 F389R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.48Å; R309-L313 PolarHBondContact O-N 2.74Å; S310-L313 PolarHBondContact O-N 3.31Å; L313-N315 VanDerWaalsContact C-N 3.31Å; L313-N315 PolarHBondContact O-N 2.95Å; L313-I316 PolarHBondContact O-N 2.91Å; L313-Q317 WeakPolarHBondContact O-CB 3.39Å; L313-Q317 WeakPolarHBondContact O-CG 3.47Å; L313-Q317 PolarHBondContact O-N 3.09Å; L313-Q360 HydrophobicContact CD1-CB 4.15Å; L313-Q360 HydrophobicContact CD1-CG 4.2Å; L313-Q360 HydrophobicContact CD2-CB 4.43Å; L313-L361 HydrophobicContact CD2-CD1 3.67Å; L313-L361 HydrophobicContact CD2-CD2 3.94Å; L313-L361 HydrophobicContact CD2-CG 3.66Å; L313-F389 HydrophobicContact CD1-CZ 4.46Å; L313-F389 HydrophobicContact CD2-CE2 4.43Å; L313-F389 HydrophobicContact CD2-CZ 4.19Å; L313-F389 HydrophobicContact CG-CE2 4.49Å; L313-F389 HydrophobicContact CG-CZ 4.29Å
314R93.1Very high91Very high123 Ų12364.2 Ų64.246%0.46430%0.298SS..Hα-helixtrans-59.6-40.8176.8-73.6-174.9-62.5127.84.1112.3E305 S310 R311 Q317 R318E305-R314 IonicContact OE1-CZ 2.58Å; E305-R314 IonicContact OE1-NH2 3.83Å; E305-R314 PolarHBondContact OE1-NH2 2.77Å; E305-R314 IonicContact OE2-CZ 3.78Å; E305-R314 IonicContact OE2-NH2 2.78Å; E305-R314 PolarHBondContact OE2-NH2 2.8Å; S310-R314 WeakPolarHBondContact O-CB 3.1Å; S310-R314 WeakPolarHBondContact O-CG 3.14Å; S310-R314 PolarHBondContact O-N 2.67Å; R311-R314 PolarHBondContact O-N 3.27Å; R314-Q317 PolarHBondContact O-N 3.45Å; R314-R318 WeakPolarHBondContact O-CB 3.39Å; R314-R318 PolarHBondContact O-N 3.35Å
315N91.2Very high92.2Very high42 Ų4267 Ų6723%0.22531%0.311CS..Hα-helixtrans-65.4-41.2177.3-72.7-21.9000112S29 R311 T312 L313 R319S29-N315 WeakPolarHBondContact CB-ND2 3.47Å; R311-N315 WeakPolarHBondContact O-CB 3.28Å; R311-N315 VanDerWaalsContact O-CG 3.25Å; R311-N315 PolarHBondContact O-N 3.25Å; R311-N315 PolarHBondContact O-ND2 2.86Å; T312-N315 PolarHBondContact O-N 3.4Å; L313-N315 VanDerWaalsContact C-N 3.31Å; L313-N315 PolarHBondContact O-N 2.95Å; N315-R319 VanDerWaalsContact O-CB 3.26Å; N315-R319 WeakPolarHBondContact O-CB 3.34Å; N315-R319 PolarHBondContact O-N 3.22Å
316I94.2Very high93Very high11 Ų1166.1 Ų66.16%0.05631%0.307CS..Hα-helixtrans-66.4-48176-68.2172.2000110.4T312 L313 R318 R319 F320 L361 I364 L386T312-I316 HydrophobicContact CG2-CD1 3.95Å; T312-I316 WeakPolarHBondContact O-CG1 3.49Å; T312-I316 PolarHBondContact O-N 3.17Å; L313-I316 PolarHBondContact O-N 2.91Å; I316-R318 VanDerWaalsContact C-N 3.28Å; I316-R318 PolarHBondContact O-N 3.33Å; I316-R319 PolarHBondContact O-N 3.04Å; I316-R319 VanDerWaalsContact O-N 3.13Å; I316-F320 HydrophobicContact CG2-CD2 3.82Å; I316-F320 HydrophobicContact CG2-CE2 4.3Å; I316-F320 WeakPolarHBondContact O-CD2 3.49Å; I316-F320 PolarHBondContact O-N 2.81Å; I316-L361 HydrophobicContact CB-CD2 4.03Å; I316-L361 HydrophobicContact CD1-CD1 4.37Å; I316-L361 HydrophobicContact CG2-CD2 3.57Å; I316-I364 HydrophobicContact CG2-CD1 3.49Å; I316-I364 VanDerWaalsContact CG2-CD1 3.49Å; I316-I364 HydrophobicContact CG2-CG1 4.45Å; I316-L386 HydrophobicContact CD1-CD1 4.12Å; I316-L386 HydrophobicContact CD1-CG 3.98Å
317Q95.8Very high94.1Very high10 Ų1058.9 Ų58.95%0.04727%0.273CS..Hα-helixtrans-54.6-45.5176.9-74.7174.4-32.600111.6L313 R314 M321 I322 I324 Q360 L361L313-Q317 WeakPolarHBondContact O-CB 3.39Å; L313-Q317 WeakPolarHBondContact O-CG 3.47Å; L313-Q317 PolarHBondContact O-N 3.09Å; R314-Q317 PolarHBondContact O-N 3.45Å; Q317-M321 WeakPolarHBondContact O-CA 3.5Å; Q317-M321 PolarHBondContact O-N 3.36Å; Q317-I322 HydrophobicContact CB-CB 4.26Å; Q317-I322 HydrophobicContact CG-CB 4.14Å; Q317-I322 HydrophobicContact CG-CD1 4.07Å; Q317-I322 HydrophobicContact CG-CG2 4.45Å; Q317-I322 PolarHBondContact O-N 2.8Å; Q317-I324 HydrophobicContact CB-CG1 4.45Å; Q317-Q360 PolarHBondContact NE2-O 2.92Å; Q317-L361 HydrophobicContact CG-CD2 4.36Å
318R92.9Very high94.6Very high189 Ų18960.3 Ų60.371%0.71328%0.277SS*.Hα-helixtrans-64.9-43.8176.6-167.3179.8-155.2158.87.5112.7R314 I316R314-R318 WeakPolarHBondContact O-CB 3.39Å; R314-R318 PolarHBondContact O-N 3.35Å; I316-R318 VanDerWaalsContact C-N 3.28Å; I316-R318 PolarHBondContact O-N 3.33Å
319R91.4Very high95Very high156 Ų15666.8 Ų66.859%0.58930%0.302SS*.Hα-helixtrans-65.2-38.1-178.4178.1177.3175.4-177.9-1.9112.5N315 I316N315-R319 VanDerWaalsContact O-CB 3.26Å; N315-R319 WeakPolarHBondContact O-CB 3.34Å; N315-R319 PolarHBondContact O-N 3.22Å; I316-R319 PolarHBondContact O-N 3.04Å; I316-R319 VanDerWaalsContact O-N 3.13Å
320F94.8Very high95.2Very high32 Ų3267.8 Ų67.814%0.1431%0.31CS..Hα-helixtrans-101.34.9-176.9-71.4-83.9000113.2I316 I322 I364 S367 L380 L384I316-F320 HydrophobicContact CG2-CD2 3.82Å; I316-F320 HydrophobicContact CG2-CE2 4.3Å; I316-F320 WeakPolarHBondContact O-CD2 3.49Å; I316-F320 PolarHBondContact O-N 2.81Å; F320-I322 VanDerWaalsContact C-N 3.26Å; F320-I322 HydrophobicContact CB-CG1 4.08Å; F320-I322 PolarHBondContact O-N 2.65Å; F320-I364 HydrophobicContact CB-CG1 3.95Å; F320-I364 HydrophobicContact CD1-CG1 4.18Å; F320-I364 HydrophobicContact CD2-CD1 3.86Å; F320-I364 HydrophobicContact CD2-CG1 4.11Å; F320-I364 HydrophobicContact CE2-CD1 4.14Å; F320-I364 HydrophobicContact CG-CD1 4.1Å; F320-I364 HydrophobicContact CG-CG1 3.82Å; F320-S367 PolarHBondContact O-OG 2.83Å; F320-L380 HydrophobicContact CD1-CD1 4.36Å; F320-L380 HydrophobicContact CE1-CD1 4.01Å; F320-L380 HydrophobicContact CE1-CD2 4.01Å; F320-L380 HydrophobicContact CZ-CD2 4.1Å; F320-L384 HydrophobicContact CE2-CD1 3.58Å; F320-L384 HydrophobicContact CE2-CD2 4.03Å; F320-L384 HydrophobicContact CE2-CG 4.45Å; F320-L384 HydrophobicContact CZ-CD1 3.88Å; F320-L384 HydrophobicContact CZ-CD2 3.99Å; F320-L384 HydrophobicContact CZ-CG 4.48Å
321M94.6Very high95.5Very high169 Ų16965.8 Ų65.883%0.83330%0.297SS*.THydrogen-bonded Turntrans53.542179.3-55.5178.3-70.300113Q317Q317-M321 WeakPolarHBondContact O-CA 3.5Å; Q317-M321 PolarHBondContact O-N 3.36Å
322I96.5Very high95.8Very high13 Ų1373 Ų737%0.06733%0.328CS..  trans-67.2140.2178.4-57.9-178.7000109.5Q317 F320 I324 L361 E363 I364Q317-I322 HydrophobicContact CB-CB 4.26Å; Q317-I322 HydrophobicContact CG-CB 4.14Å; Q317-I322 HydrophobicContact CG-CD1 4.07Å; Q317-I322 HydrophobicContact CG-CG2 4.45Å; Q317-I322 PolarHBondContact O-N 2.8Å; F320-I322 VanDerWaalsContact C-N 3.26Å; F320-I322 HydrophobicContact CB-CG1 4.08Å; F320-I322 PolarHBondContact O-N 2.65Å; I322-I324 PolarHBondContact O-N 3Å; I322-L361 HydrophobicContact CD1-CD2 3.98Å; I322-E363 HydrophobicContact CG2-CB 4.36Å; I322-I364 HydrophobicContact CD1-CB 3.66Å; I322-I364 HydrophobicContact CD1-CD1 4.5Å; I322-I364 HydrophobicContact CD1-CG1 3.89Å; I322-I364 HydrophobicContact CG1-CB 4.4Å
323D97.6Very high96.1Very high78 Ų7876.3 Ų76.342%0.41735%0.349SS..  trans-67.1102.6171.2-176.6-21.7000109.9D325 Q326 A327D323-D325 VanDerWaalsContact C-N 3.34Å; D323-D325 PolarHBondContact OD1-N 3.13Å; D323-Q326 HydrophobicContact CB-CB 3.93Å; D323-Q326 VanDerWaalsContact CG-CB 3.48Å; D323-Q326 PolarHBondContact O-N 2.87Å; D323-Q326 PolarHBondContact OD1-N 2.8Å; D323-A327 WeakPolarHBondContact O-CB 3.24Å; D323-A327 PolarHBondContact O-N 2.98Å
324I97.3Very high96.2Very high79 Ų7976.7 Ų76.741%0.40535%0.353SS..Hα-helixtrans-67.7-35.5-176.9-60.6175.6000111Q317 I322 A327 Q328Q317-I324 HydrophobicContact CB-CG1 4.45Å; I322-I324 PolarHBondContact O-N 3Å; I324-A327 PolarHBondContact O-N 3.39Å; I324-Q328 HydrophobicContact CG2-CG 4.41Å; I324-Q328 WeakPolarHBondContact O-CB 3.33Å; I324-Q328 VanDerWaalsContact O-CG 3.26Å; I324-Q328 WeakPolarHBondContact O-CG 3.3Å; I324-Q328 PolarHBondContact O-N 3.32Å
325D98.3Very high96.4Very high102 Ų10271.4 Ų71.455%0.54534%0.335SS..Hα-helixtrans-69.1-41.7-179.3-68.6-28.5000110.2D323 Q328 R329D323-D325 VanDerWaalsContact C-N 3.34Å; D323-D325 PolarHBondContact OD1-N 3.13Å; D325-Q328 PolarHBondContact O-N 3.29Å; D325-R329 WeakPolarHBondContact O-CG 3.35Å; D325-R329 PolarHBondContact O-N 2.79Å
326Q97.9Very high96.7Very high49 Ų4973.8 Ų73.823%0.22935%0.348CS..Hα-helixtrans-65.2-44.8173.7178.554.511.800111.8D323 Q328 R329 V330D323-Q326 HydrophobicContact CB-CB 3.93Å; D323-Q326 VanDerWaalsContact CG-CB 3.48Å; D323-Q326 PolarHBondContact O-N 2.87Å; D323-Q326 PolarHBondContact OD1-N 2.8Å; Q326-Q328 VanDerWaalsContact C-N 3.3Å; Q326-Q328 PolarHBondContact O-N 3.28Å; Q326-R329 PolarHBondContact O-N 3.38Å; Q326-V330 WeakPolarHBondContact O-CG2 3.49Å; Q326-V330 PolarHBondContact O-N 2.92Å
327A98.1Very high96.9Very high0 Ų079.4 Ų79.40%037%0.373CS..Hα-helixtrans-56.7-41.8174.500000112.7D323 I324 A331D323-A327 WeakPolarHBondContact O-CB 3.24Å; D323-A327 PolarHBondContact O-N 2.98Å; I324-A327 PolarHBondContact O-N 3.39Å; A327-A331 VanDerWaalsContact O-CB 3.31Å; A327-A331 WeakPolarHBondContact O-CB 3.22Å; A327-A331 PolarHBondContact O-N 2.88Å
328Q98.1Very high96.9Very high109 Ų10979.6 Ų79.651%0.50937%0.373SS..Hα-helixtrans-67.2-40.8175.3-74.4176.79.800112.8I324 D325 Q326 A331 K332I324-Q328 HydrophobicContact CG2-CG 4.41Å; I324-Q328 WeakPolarHBondContact O-CB 3.33Å; I324-Q328 VanDerWaalsContact O-CG 3.26Å; I324-Q328 WeakPolarHBondContact O-CG 3.3Å; I324-Q328 PolarHBondContact O-N 3.32Å; D325-Q328 PolarHBondContact O-N 3.29Å; Q326-Q328 VanDerWaalsContact C-N 3.3Å; Q326-Q328 PolarHBondContact O-N 3.28Å; Q328-A331 PolarHBondContact O-N 3.42Å; Q328-K332 WeakPolarHBondContact O-CB 3.5Å; Q328-K332 PolarHBondContact O-N 3.04Å
329R98.3Very high97.1Very high137 Ų13774.7 Ų74.752%0.51736%0.361SS..Hα-helixtrans-58.8-48.3175.1-75.5-170.4-62.3-996.6111.2D325 Q326 K332 V333D325-R329 WeakPolarHBondContact O-CG 3.35Å; D325-R329 PolarHBondContact O-N 2.79Å; Q326-R329 PolarHBondContact O-N 3.38Å; R329-K332 PolarHBondContact O-N 2.89Å; R329-V333 WeakPolarHBondContact O-CG2 3.35Å; R329-V333 PolarHBondContact O-N 3.44Å; R329-V333 VanDerWaalsContact O-N 3.15Å
330V97.9Very high97.4Very high44 Ų4473.3 Ų73.327%0.26736%0.361SS..Hα-helixtrans-63.2-46.2178.7174.80000111Q326 K332 V333 A334 C359Q326-V330 WeakPolarHBondContact O-CG2 3.49Å; Q326-V330 PolarHBondContact O-N 2.92Å; V330-K332 VanDerWaalsContact C-N 3.3Å; V330-K332 PolarHBondContact O-N 3.47Å; V330-V333 PolarHBondContact O-N 2.81Å; V330-A334 WeakPolarHBondContact O-CB 3.29Å; V330-A334 PolarHBondContact O-N 3.08Å; V330-C359 HydrophobicContact CG1-CB 4.07Å
331A97.9Very high97.5Very high7 Ų773.3 Ų73.36%0.05836%0.364CS..Hα-helixtrans-58.7-39.6177.400000112.7A327 Q328 A335 I356 C359A327-A331 VanDerWaalsContact O-CB 3.31Å; A327-A331 WeakPolarHBondContact O-CB 3.22Å; A327-A331 PolarHBondContact O-N 2.88Å; Q328-A331 PolarHBondContact O-N 3.42Å; A331-A335 VanDerWaalsContact O-CB 3.31Å; A331-A335 WeakPolarHBondContact O-CB 3.19Å; A331-A335 PolarHBondContact O-N 3.35Å; A331-I356 HydrophobicContact CB-CD1 3.95Å; A331-I356 HydrophobicContact CB-CG2 4.33Å; A331-I356 VanDerWaalsContact O-CD1 3.25Å; A331-I356 WeakPolarHBondContact O-CD1 3.33Å; A331-C359 HydrophobicContact CB-CB 3.73Å
332K98.3Very high97.5Very high166 Ų16668.5 Ų68.572%0.72234%0.339SS*.Hα-helixtrans-66.4-40.9177.5-174.1176-179.1177.80112.5Q328 R329 V330 N336Q328-K332 WeakPolarHBondContact O-CB 3.5Å; Q328-K332 PolarHBondContact O-N 3.04Å; R329-K332 PolarHBondContact O-N 2.89Å; V330-K332 VanDerWaalsContact C-N 3.3Å; V330-K332 PolarHBondContact O-N 3.47Å; K332-N336 PolarHBondContact O-N 3.25Å; K332-N336 VanDerWaalsContact O-N 3.13Å
333V98.2Very high97.4Very high78 Ų7876.2 Ų76.247%0.47337%0.372SS..Hα-helixtrans-67.6-45.6176.4174.10000110.5R329 V330 A335 N336 F337R329-V333 WeakPolarHBondContact O-CG2 3.35Å; R329-V333 PolarHBondContact O-N 3.44Å; R329-V333 VanDerWaalsContact O-N 3.15Å; V330-V333 PolarHBondContact O-N 2.81Å; V333-A335 VanDerWaalsContact C-N 3.34Å; V333-A335 PolarHBondContact O-N 3.45Å; V333-N336 WeakPolarHBondContact O-CB 3.5Å; V333-N336 PolarHBondContact O-N 3.44Å; V333-N336 VanDerWaalsContact O-N 3.16Å; V333-F337 HydrophobicContact CG1-CD2 3.99Å; V333-F337 HydrophobicContact CG1-CE2 3.48Å; V333-F337 VanDerWaalsContact CG1-CE2 3.48Å; V333-F337 HydrophobicContact CG1-CZ 3.99Å; V333-F337 PolarHBondContact O-N 2.8Å
334A97.2Very high97.4Very high16 Ų1679.6 Ų79.613%0.13239%0.386CS..Hα-helixtrans-60.8-41.4176.700000112.2V330 N336 F337 F338 L355 C359V330-A334 WeakPolarHBondContact O-CB 3.29Å; V330-A334 PolarHBondContact O-N 3.08Å; A334-N336 VanDerWaalsContact C-N 3.34Å; A334-N336 PolarHBondContact O-N 3.15Å; A334-F337 PolarHBondContact O-N 3.42Å; A334-F338 WeakPolarHBondContact O-CB 3.22Å; A334-F338 PolarHBondContact O-N 2.98Å; A334-L355 HydrophobicContact CB-CD1 4.48Å; A334-L355 HydrophobicContact CB-CD2 4.19Å; A334-L355 HydrophobicContact CB-CG 4.23Å; A334-C359 VanDerWaalsContact CB-SG 3.52Å
335A97.3Very high97.2Very high12 Ų1283.4 Ų83.410%0.09940%0.395CS..Hα-helixtrans-59.5-43.6173.500000112A331 V333 F337 F338 D339 I356A331-A335 VanDerWaalsContact O-CB 3.31Å; A331-A335 WeakPolarHBondContact O-CB 3.19Å; A331-A335 PolarHBondContact O-N 3.35Å; V333-A335 VanDerWaalsContact C-N 3.34Å; V333-A335 PolarHBondContact O-N 3.45Å; A335-F337 PolarHBondContact O-N 3.47Å; A335-F338 WeakPolarHBondContact O-CB 3.38Å; A335-F338 PolarHBondContact O-N 3.27Å; A335-D339 PolarHBondContact O-N 3.26Å; A335-I356 HydrophobicContact CB-CD1 4.05Å
336N98.2Very high97Very high92 Ų9286 Ų8649%0.49240%0.404SS..Hα-helixtrans-62.2-43178.3-172.8-51.7000111.6K332 V333 A334 D339 Q340K332-N336 PolarHBondContact O-N 3.25Å; K332-N336 VanDerWaalsContact O-N 3.13Å; V333-N336 WeakPolarHBondContact O-CB 3.5Å; V333-N336 PolarHBondContact O-N 3.44Å; V333-N336 VanDerWaalsContact O-N 3.16Å; A334-N336 VanDerWaalsContact C-N 3.34Å; A334-N336 PolarHBondContact O-N 3.15Å; N336-D339 PolarHBondContact O-N 3.34Å; N336-Q340 WeakPolarHBondContact O-CG 3.49Å; N336-Q340 PolarHBondContact O-N 3.33Å; N336-Q340 PolarHBondContact O-NE2 3.38Å; N336-Q340 PolarHBondContact OD1-NE2 3.19Å
337F97.3Very high96.6Very high130 Ų13085.1 Ų85.157%0.5740%0.4SS*.Hα-helixtrans-66.2-38.4174.5-65.9-36.9000112.5V333 A334 A335 Q340V333-F337 HydrophobicContact CG1-CD2 3.99Å; V333-F337 HydrophobicContact CG1-CE2 3.48Å; V333-F337 VanDerWaalsContact CG1-CE2 3.48Å; V333-F337 HydrophobicContact CG1-CZ 3.99Å; V333-F337 PolarHBondContact O-N 2.8Å; A334-F337 PolarHBondContact O-N 3.42Å; A335-F337 PolarHBondContact O-N 3.47Å; F337-Q340 PolarHBondContact O-N 3Å
338F96.7Very high96.2Very high13 Ų1389.1 Ų89.16%0.05742%0.419CS..Hα-helixtrans-58.7-48.8174.8-174.1-82.1000111.3A334 A335 Q340 V341 E342 L347 R352 L355A334-F338 WeakPolarHBondContact O-CB 3.22Å; A334-F338 PolarHBondContact O-N 2.98Å; A335-F338 WeakPolarHBondContact O-CB 3.38Å; A335-F338 PolarHBondContact O-N 3.27Å; F338-Q340 PolarHBondContact O-N 2.87Å; F338-Q340 VanDerWaalsContact O-N 3.15Å; F338-V341 WeakPolarHBondContact O-CG2 3.38Å; F338-V341 PolarHBondContact O-N 3.3Å; F338-E342 HydrophobicContact CD1-CB 4.15Å; F338-E342 HydrophobicContact CD1-CG 4.43Å; F338-E342 HydrophobicContact CE1-CB 3.91Å; F338-E342 HydrophobicContact CE1-CG 3.74Å; F338-E342 HydrophobicContact CZ-CG 4.45Å; F338-E342 WeakPolarHBondContact O-CB 3.32Å; F338-E342 PolarHBondContact O-N 2.88Å; F338-L347 HydrophobicContact CD2-CD1 3.81Å; F338-L347 HydrophobicContact CE1-CB 4.4Å; F338-L347 HydrophobicContact CE1-CD1 4.41Å; F338-L347 HydrophobicContact CE2-CB 3.99Å; F338-L347 HydrophobicContact CE2-CD1 3.41Å; F338-L347 VanDerWaalsContact CE2-CD1 3.41Å; F338-L347 HydrophobicContact CE2-CG 4.3Å; F338-L347 HydrophobicContact CG-CD1 4.47Å; F338-L347 HydrophobicContact CZ-CB 3.58Å; F338-L347 HydrophobicContact CZ-CD1 3.74Å; F338-L347 HydrophobicContact CZ-CG 4.31Å; F338-R352 HydrophobicContact CD1-CB 4.18Å; F338-R352 HydrophobicContact CD1-CG 4.01Å; F338-R352 HydrophobicContact CD2-CB 4.43Å; F338-R352 HydrophobicContact CE1-CB 3.75Å; F338-R352 HydrophobicContact CE1-CG 4.05Å; F338-R352 HydrophobicContact CE2-CB 4.01Å; F338-R352 HydrophobicContact CG-CG 4.32Å; F338-R352 HydrophobicContact CZ-CB 3.66Å; F338-R352 HydrophobicContact CZ-CG 4.39Å; F338-L355 HydrophobicContact CB-CD2 4.2Å; F338-L355 HydrophobicContact CD2-CD2 3.95Å
339D97Very high95.8Very high87 Ų8787.4 Ų87.447%0.46542%0.423SS..Hα-helixtrans-61.1-27.1-178.1-62.1-16.4000112.5A335 N336 R352A335-D339 PolarHBondContact O-N 3.26Å; N336-D339 PolarHBondContact O-N 3.34Å; D339-R352 IonicContact OD1-NE 2.7Å
340Q97.7Very high95.4Very high127 Ų12782.4 Ų82.459%0.59341%0.407SS*.Hα-helixtrans-72.2-29.7176.9-69.1173.648.300113.1N336 F337 F338N336-Q340 WeakPolarHBondContact O-CG 3.49Å; N336-Q340 PolarHBondContact O-N 3.33Å; N336-Q340 PolarHBondContact O-NE2 3.38Å; N336-Q340 PolarHBondContact OD1-NE2 3.19Å; F337-Q340 PolarHBondContact O-N 3Å; F338-Q340 PolarHBondContact O-N 2.87Å; F338-Q340 VanDerWaalsContact O-N 3.15Å
341V96.8Very high95.1Very high31 Ų3181.2 Ų81.219%0.18840%0.4CS..Hα-helixtrans-110.5-14.1-174.1-59.20000113.5F338 K343 E344 W345 L347F338-V341 WeakPolarHBondContact O-CG2 3.38Å; F338-V341 PolarHBondContact O-N 3.3Å; V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 PolarHBondContact O-N 3.49Å; V341-K343 VanDerWaalsContact O-N 3.15Å; V341-E344 PolarHBondContact O-N 2.89Å; V341-E344 VanDerWaalsContact O-N 3.09Å; V341-W345 HydrophobicContact CB-CD2 3.68Å; V341-W345 HydrophobicContact CB-CE3 3.88Å; V341-W345 HydrophobicContact CB-CG 4.1Å; V341-W345 HydrophobicContact CB-CH2 4.37Å; V341-W345 HydrophobicContact CB-CZ2 4.18Å; V341-W345 HydrophobicContact CB-CZ3 4.23Å; V341-W345 HydrophobicContact CG1-CD2 4.29Å; V341-W345 HydrophobicContact CG1-CH2 4.1Å; V341-W345 HydrophobicContact CG1-CZ2 3.85Å; V341-W345 HydrophobicContact CG1-CZ3 4.42Å; V341-W345 HydrophobicContact CG2-CD2 4.01Å; V341-W345 HydrophobicContact CG2-CE3 3.66Å; V341-W345 HydrophobicContact CG2-CH2 4.37Å; V341-W345 HydrophobicContact CG2-CZ3 3.87Å; V341-W345 WeakPolarHBondContact O-CB 3.3Å; V341-W345 PolarHBondContact O-N 2.84Å; V341-L347 HydrophobicContact CG2-CD1 3.94Å
342E95.3Very high94.9Very high68 Ų6885.3 Ų85.332%0.31841%0.414SS..THydrogen-bonded Turntrans-46.6-49.6-174-179.7-176.6-145.600112.9F338 H346 L347F338-E342 HydrophobicContact CD1-CB 4.15Å; F338-E342 HydrophobicContact CD1-CG 4.43Å; F338-E342 HydrophobicContact CE1-CB 3.91Å; F338-E342 HydrophobicContact CE1-CG 3.74Å; F338-E342 HydrophobicContact CZ-CG 4.45Å; F338-E342 WeakPolarHBondContact O-CB 3.32Å; F338-E342 PolarHBondContact O-N 2.88Å; E342-H346 WeakPolarHBondContact O-CA 3.32Å; E342-H346 PolarHBondContact O-N 3.1Å; E342-H346 VanDerWaalsContact O-N 3.1Å; E342-L347 HydrophobicContact CG-CB 4.49Å; E342-L347 PolarHBondContact O-N 3.34Å
343K94.6Very high94.7Very high176 Ų17680.9 Ų80.977%0.76540%0.398SS*.THydrogen-bonded Turntrans-74.6-39.9-177.7-66.5-178.3-178175.30113.2V341 H346V341-K343 VanDerWaalsContact C-N 3.3Å; V341-K343 PolarHBondContact O-N 3.49Å; V341-K343 VanDerWaalsContact O-N 3.15Å; K343-H346 PolarHBondContact O-ND1 3.35Å
344E95.9Very high94.6Very high148 Ų14877.4 Ų77.469%0.69238%0.377SS*.THydrogen-bonded Turntrans-71.3-36.8-176.6-172.1-179.8165.200111.2V341V341-E344 PolarHBondContact O-N 2.89Å; V341-E344 VanDerWaalsContact O-N 3.09Å
345W94.3Very high94.5Very high160 Ų16079 Ų7961%0.60638%0.383SS*.THydrogen-bonded Turntrans-962.9-179.6-61.10.3000112.9V341 L347V341-W345 HydrophobicContact CB-CD2 3.68Å; V341-W345 HydrophobicContact CB-CE3 3.88Å; V341-W345 HydrophobicContact CB-CG 4.1Å; V341-W345 HydrophobicContact CB-CH2 4.37Å; V341-W345 HydrophobicContact CB-CZ2 4.18Å; V341-W345 HydrophobicContact CB-CZ3 4.23Å; V341-W345 HydrophobicContact CG1-CD2 4.29Å; V341-W345 HydrophobicContact CG1-CH2 4.1Å; V341-W345 HydrophobicContact CG1-CZ2 3.85Å; V341-W345 HydrophobicContact CG1-CZ3 4.42Å; V341-W345 HydrophobicContact CG2-CD2 4.01Å; V341-W345 HydrophobicContact CG2-CE3 3.66Å; V341-W345 HydrophobicContact CG2-CH2 4.37Å; V341-W345 HydrophobicContact CG2-CZ3 3.87Å; V341-W345 WeakPolarHBondContact O-CB 3.3Å; V341-W345 PolarHBondContact O-N 2.84Å; W345-L347 VanDerWaalsContact C-N 3.31Å; W345-L347 HydrophobicContact CB-CD1 4.48Å; W345-L347 HydrophobicContact CB-CD2 3.84Å; W345-L347 HydrophobicContact CB-CG 3.91Å; W345-L347 HydrophobicContact CE3-CD1 4.4Å; W345-L347 PolarHBondContact O-N 3.34Å
346H93Very high94.5Very high157 Ų15780.3 Ų80.373%0.72739%0.388SS*.THydrogen-bonded Turntrans55.140.2179.1-57-59.1000114.3E342 K343E342-H346 WeakPolarHBondContact O-CA 3.32Å; E342-H346 PolarHBondContact O-N 3.1Å; E342-H346 VanDerWaalsContact O-N 3.1Å; K343-H346 PolarHBondContact O-ND1 3.35Å
347L91.3Very high94.4Very high30 Ų3076.2 Ų76.216%0.15737%0.366CS..  trans-70.8130.2-172.8-55.6179.6000112.3F338 V341 E342 W345 P421F338-L347 HydrophobicContact CD2-CD1 3.81Å; F338-L347 HydrophobicContact CE1-CB 4.4Å; F338-L347 HydrophobicContact CE1-CD1 4.41Å; F338-L347 HydrophobicContact CE2-CB 3.99Å; F338-L347 HydrophobicContact CE2-CD1 3.41Å; F338-L347 VanDerWaalsContact CE2-CD1 3.41Å; F338-L347 HydrophobicContact CE2-CG 4.3Å; F338-L347 HydrophobicContact CG-CD1 4.47Å; F338-L347 HydrophobicContact CZ-CB 3.58Å; F338-L347 HydrophobicContact CZ-CD1 3.74Å; F338-L347 HydrophobicContact CZ-CG 4.31Å; V341-L347 HydrophobicContact CG2-CD1 3.94Å; E342-L347 HydrophobicContact CG-CB 4.49Å; E342-L347 PolarHBondContact O-N 3.34Å; W345-L347 VanDerWaalsContact C-N 3.31Å; W345-L347 HydrophobicContact CB-CD1 4.48Å; W345-L347 HydrophobicContact CB-CD2 3.84Å; W345-L347 HydrophobicContact CB-CG 3.91Å; W345-L347 HydrophobicContact CE3-CD1 4.4Å; W345-L347 PolarHBondContact O-N 3.34Å; L347-P421 WeakPolarHBondContact CA-OXT 3.42Å; L347-P421 HydrophobicContact CD2-CB 3.52Å
348E89.7Confident94.5Very high84 Ų8470.3 Ų70.339%0.39334%0.342SS..  trans-69.9152171.2-66.9-173.4-17900112.2R230 I350 S351 P421R230-E348 IonicContact NH1-OE1 2.77Å; R230-E348 PolarHBondContact NH1-OE1 3.49Å; E348-I350 HydrophobicContact CB-CG2 3.88Å; E348-I350 PolarHBondContact O-N 3.32Å; E348-I350 VanDerWaalsContact O-N 3.13Å; E348-S351 WeakPolarHBondContact O-CB 3.33Å; E348-S351 PolarHBondContact O-N 2.99Å; E348-S351 PolarHBondContact O-OG 2.82Å; E348-P421 PolarHBondContact N-OXT 3.39Å
349A88.6Confident94.5Very high72 Ų7270.1 Ų70.160%0.59534%0.342SS*.Hα-helixtrans-57.3-31.4179.300000113.5S351 R352 D353A349-S351 PolarHBondContact O-N 3.27Å; A349-R352 WeakPolarHBondContact O-CB 3.33Å; A349-R352 PolarHBondContact O-N 3.23Å; A349-D353 PolarHBondContact O-N 2.9Å
350I89.4Confident94.6Very high33 Ų3367.3 Ų67.317%0.16933%0.326CS..Hα-helixtrans-61.8-31.9176.7-174.859.3000112.2E348 R352 D353 L354E348-I350 HydrophobicContact CB-CG2 3.88Å; E348-I350 PolarHBondContact O-N 3.32Å; E348-I350 VanDerWaalsContact O-N 3.13Å; I350-R352 VanDerWaalsContact C-N 3.29Å; I350-R352 PolarHBondContact O-N 2.7Å; I350-D353 HydrophobicContact CD1-CB 4.42Å; I350-D353 PolarHBondContact O-N 3.21Å; I350-L354 HydrophobicContact CD1-CD1 4.45Å; I350-L354 HydrophobicContact CD1-CG 4.18Å; I350-L354 HydrophobicContact CG1-CD1 4.03Å; I350-L354 HydrophobicContact CG1-CG 4.22Å; I350-L354 WeakPolarHBondContact O-CG 3.29Å; I350-L354 PolarHBondContact O-N 2.78Å
351S92.5Very high94.6Very high19 Ų1961.3 Ų61.313%0.13330%0.298CS..Hα-helixtrans-63.3-39.4178.3-56.30000111E348 A349 L355 P421E348-S351 WeakPolarHBondContact O-CB 3.33Å; E348-S351 PolarHBondContact O-N 2.99Å; E348-S351 PolarHBondContact O-OG 2.82Å; A349-S351 PolarHBondContact O-N 3.27Å; S351-L355 VanDerWaalsContact O-CB 3.29Å; S351-L355 WeakPolarHBondContact O-CB 3.22Å; S351-L355 PolarHBondContact O-N 3.26Å; S351-P421 VanDerWaalsContact OG-CA 3.29Å; S351-P421 WeakPolarHBondContact OG-CA 3.45Å; S351-P421 WeakPolarHBondContact OG-CB 3.31Å
352R94.1Very high94.6Very high93 Ų9361.1 Ų61.135%0.35130%0.295SS..Hα-helixtrans-62.7-49.2173.4-165.4174.7-177.2-88.62.9110.7F338 D339 A349 I350 L354 L355 I356F338-R352 HydrophobicContact CD1-CB 4.18Å; F338-R352 HydrophobicContact CD1-CG 4.01Å; F338-R352 HydrophobicContact CD2-CB 4.43Å; F338-R352 HydrophobicContact CE1-CB 3.75Å; F338-R352 HydrophobicContact CE1-CG 4.05Å; F338-R352 HydrophobicContact CE2-CB 4.01Å; F338-R352 HydrophobicContact CG-CG 4.32Å; F338-R352 HydrophobicContact CZ-CB 3.66Å; F338-R352 HydrophobicContact CZ-CG 4.39Å; D339-R352 IonicContact OD1-NE 2.7Å; A349-R352 WeakPolarHBondContact O-CB 3.33Å; A349-R352 PolarHBondContact O-N 3.23Å; I350-R352 VanDerWaalsContact C-N 3.29Å; I350-R352 PolarHBondContact O-N 2.7Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.2Å; R352-L355 PolarHBondContact O-N 2.98Å; R352-I356 WeakPolarHBondContact O-CB 3.42Å; R352-I356 VanDerWaalsContact O-CG1 3.25Å; R352-I356 WeakPolarHBondContact O-CG1 3.11Å; R352-I356 PolarHBondContact O-N 2.93Å
353D93.6Very high94.7Very high73 Ų7360.1 Ų60.139%0.3929%0.29SS..Hα-helixtrans-60-42.3-179.3-69.2-13.9000112.3R309 A349 I350 S357R309-D353 IonicContact NH1-OD2 2.84Å; A349-D353 PolarHBondContact O-N 2.9Å; I350-D353 HydrophobicContact CD1-CB 4.42Å; I350-D353 PolarHBondContact O-N 3.21Å; D353-S357 WeakPolarHBondContact O-CB 3.2Å; D353-S357 PolarHBondContact O-N 2.94Å; D353-S357 PolarHBondContact O-OG 3.32Å
354L95.3Very high94.8Very high4 Ų451.7 Ų51.72%0.02125%0.254CS..Hα-helixtrans-70.2-40.7178.2-65.1177000111.8I350 R352 S357 A358 F389 Q393 L396 L397I350-L354 HydrophobicContact CD1-CD1 4.45Å; I350-L354 HydrophobicContact CD1-CG 4.18Å; I350-L354 HydrophobicContact CG1-CD1 4.03Å; I350-L354 HydrophobicContact CG1-CG 4.22Å; I350-L354 WeakPolarHBondContact O-CG 3.29Å; I350-L354 PolarHBondContact O-N 2.78Å; R352-L354 VanDerWaalsContact C-N 3.33Å; R352-L354 PolarHBondContact O-N 3.2Å; L354-S357 WeakPolarHBondContact O-CB 3.37Å; L354-S357 PolarHBondContact O-N 2.92Å; L354-A358 PolarHBondContact O-N 3.19Å; L354-F389 HydrophobicContact CD2-CD1 3.9Å; L354-F389 HydrophobicContact CD2-CE1 3.94Å; L354-Q393 HydrophobicContact CD1-CB 4.4Å; L354-Q393 HydrophobicContact CD1-CG 3.95Å; L354-Q393 HydrophobicContact CD2-CB 3.93Å; L354-Q393 HydrophobicContact CD2-CG 4.04Å; L354-L396 HydrophobicContact CD1-CD2 3.86Å; L354-L397 HydrophobicContact CB-CD2 4.27Å; L354-L397 HydrophobicContact CD2-CD2 4.4Å; L354-L397 WeakPolarHBondContact O-CD2 3.31Å
355L95.8Very high94.9Very high50 Ų5044.7 Ų44.726%0.26222%0.221SC..Hα-helixtrans-60.4-46.8174.3176.961000111.3A334 F338 S351 R352 S357 A358 C359A334-L355 HydrophobicContact CB-CD1 4.48Å; A334-L355 HydrophobicContact CB-CD2 4.19Å; A334-L355 HydrophobicContact CB-CG 4.23Å; F338-L355 HydrophobicContact CB-CD2 4.2Å; F338-L355 HydrophobicContact CD2-CD2 3.95Å; S351-L355 VanDerWaalsContact O-CB 3.29Å; S351-L355 WeakPolarHBondContact O-CB 3.22Å; S351-L355 PolarHBondContact O-N 3.26Å; R352-L355 PolarHBondContact O-N 2.98Å; L355-S357 VanDerWaalsContact C-N 3.31Å; L355-S357 PolarHBondContact O-N 3.22Å; L355-A358 PolarHBondContact O-N 2.98Å; L355-C359 PolarHBondContact O-N 2.67Å; L355-C359 PolarHBondContact O-SG 3.23Å
356I97Very high95Very high39 Ų3940.9 Ų40.920%0.221%0.212CC..Hα-helixtrans-62.7-40.8176.3-64-61.4000110.5A331 A335 R352 A358 C359 Q360A331-I356 HydrophobicContact CB-CD1 3.95Å; A331-I356 HydrophobicContact CB-CG2 4.33Å; A331-I356 VanDerWaalsContact O-CD1 3.25Å; A331-I356 WeakPolarHBondContact O-CD1 3.33Å; A335-I356 HydrophobicContact CB-CD1 4.05Å; R352-I356 WeakPolarHBondContact O-CB 3.42Å; R352-I356 VanDerWaalsContact O-CG1 3.25Å; R352-I356 WeakPolarHBondContact O-CG1 3.11Å; R352-I356 PolarHBondContact O-N 2.93Å; I356-A358 VanDerWaalsContact C-N 3.34Å; I356-A358 PolarHBondContact O-N 2.95Å; I356-C359 WeakPolarHBondContact O-CB 3.29Å; I356-C359 PolarHBondContact O-N 3.48Å; I356-C359 VanDerWaalsContact O-N 3.17Å; I356-Q360 HydrophobicContact CG2-CG 4.42Å; I356-Q360 WeakPolarHBondContact O-CG 3.35Å; I356-Q360 PolarHBondContact O-N 3.37Å
357S97.4Very high95.1Very high6 Ų636.2 Ų36.24%0.04220%0.197CC..Hα-helixtrans-60-41.7175.3-60.40000112.4D353 L354 L355 Q360 L361 F389D353-S357 WeakPolarHBondContact O-CB 3.2Å; D353-S357 PolarHBondContact O-N 2.94Å; D353-S357 PolarHBondContact O-OG 3.32Å; L354-S357 WeakPolarHBondContact O-CB 3.37Å; L354-S357 PolarHBondContact O-N 2.92Å; L355-S357 VanDerWaalsContact C-N 3.31Å; L355-S357 PolarHBondContact O-N 3.22Å; S357-Q360 PolarHBondContact O-N 3.13Å; S357-L361 PolarHBondContact O-N 2.9Å; S357-F389 WeakPolarHBondContact OG-CZ 3.37Å
358A97.5Very high95.4Very high7 Ų738.7 Ų38.76%0.05821%0.213CC..Hα-helixtrans-63.5-43.8174.200000111.2L354 L355 I356 Q360 L361 H362 L397 L400 L401L354-A358 PolarHBondContact O-N 3.19Å; L355-A358 PolarHBondContact O-N 2.98Å; I356-A358 VanDerWaalsContact C-N 3.34Å; I356-A358 PolarHBondContact O-N 2.95Å; A358-Q360 VanDerWaalsContact C-N 3.28Å; A358-Q360 PolarHBondContact O-N 3.3Å; A358-L361 CarbonylContact O-C 3.52Å; A358-L361 PolarHBondContact O-N 3.01Å; A358-H362 PolarHBondContact O-N 3.46Å; A358-L397 HydrophobicContact CB-CD2 3.99Å; A358-L400 HydrophobicContact CB-CB 4.07Å; A358-L400 HydrophobicContact CB-CD1 3.92Å; A358-L401 HydrophobicContact CB-CD2 4.45Å; A358-L401 WeakPolarHBondContact O-CD2 3.41Å
359C97.9Very high95.6Very high9 Ų938.2 Ų38.26%0.06121%0.213CC..Hα-helixtrans-59.4-38.9175-62.50000112V330 A331 A334 L355 I356 L361 H362V330-C359 HydrophobicContact CG1-CB 4.07Å; A331-C359 HydrophobicContact CB-CB 3.73Å; A334-C359 VanDerWaalsContact CB-SG 3.52Å; L355-C359 PolarHBondContact O-N 2.67Å; L355-C359 PolarHBondContact O-SG 3.23Å; I356-C359 WeakPolarHBondContact O-CB 3.29Å; I356-C359 PolarHBondContact O-N 3.48Å; I356-C359 VanDerWaalsContact O-N 3.17Å; C359-L361 PolarHBondContact O-N 2.93Å; C359-H362 PolarHBondContact O-N 2.85Å; C359-H362 PolarHBondContact O-ND1 3.04Å
360Q98.1Very high95.9Very high28 Ų2842.7 Ų42.713%0.13122%0.22CC..Hα-helixtrans-64-22.5177.7-70-50.9-55.900113.6L313 Q317 I356 S357 A358L313-Q360 HydrophobicContact CD1-CB 4.15Å; L313-Q360 HydrophobicContact CD1-CG 4.2Å; L313-Q360 HydrophobicContact CD2-CB 4.43Å; Q317-Q360 PolarHBondContact NE2-O 2.92Å; I356-Q360 HydrophobicContact CG2-CG 4.42Å; I356-Q360 WeakPolarHBondContact O-CG 3.35Å; I356-Q360 PolarHBondContact O-N 3.37Å; S357-Q360 PolarHBondContact O-N 3.13Å; A358-Q360 VanDerWaalsContact C-N 3.28Å; A358-Q360 PolarHBondContact O-N 3.3Å
361L98.1Very high96.1Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-114.25-177.4-58.2-175.6000114L313 I316 Q317 I322 S357 A358 C359 E363 I364 V381 L401L313-L361 HydrophobicContact CD2-CD1 3.67Å; L313-L361 HydrophobicContact CD2-CD2 3.94Å; L313-L361 HydrophobicContact CD2-CG 3.66Å; I316-L361 HydrophobicContact CB-CD2 4.03Å; I316-L361 HydrophobicContact CD1-CD1 4.37Å; I316-L361 HydrophobicContact CG2-CD2 3.57Å; Q317-L361 HydrophobicContact CG-CD2 4.36Å; I322-L361 HydrophobicContact CD1-CD2 3.98Å; S357-L361 PolarHBondContact O-N 2.9Å; A358-L361 CarbonylContact O-C 3.52Å; A358-L361 PolarHBondContact O-N 3.01Å; C359-L361 PolarHBondContact O-N 2.93Å; L361-E363 VanDerWaalsContact C-N 3.25Å; L361-E363 PolarHBondContact O-N 3.09Å; L361-E363 VanDerWaalsContact O-N 3.13Å; L361-I364 VanDerWaalsContact O-CB 3.24Å; L361-I364 WeakPolarHBondContact O-CB 3.49Å; L361-I364 WeakPolarHBondContact O-CG2 3.44Å; L361-I364 PolarHBondContact O-N 2.94Å; L361-V381 HydrophobicContact CD1-CG2 3.9Å; L361-L401 HydrophobicContact CB-CD1 4.41Å
362H96.9Very high96.2Very high27 Ų2752.8 Ų52.813%0.12526%0.262CS..THydrogen-bonded Turntrans-59.5-32.2-167.179.9-73.7000114.7A358 C359 L401 Q404A358-H362 PolarHBondContact O-N 3.46Å; C359-H362 PolarHBondContact O-N 2.85Å; C359-H362 PolarHBondContact O-ND1 3.04Å; H362-L401 VanDerWaalsContact CA-CD2 3.49Å; H362-L401 HydrophobicContact CB-CD2 4.06Å; H362-Q404 PolarHBondContact O-NE2 2.87Å; H362-Q404 PolarHBondContact O-OE1 3.21Å
363E97Very high96.3Very high47 Ų4748.7 Ų48.722%0.2225%0.248CC..THydrogen-bonded Turntrans-91.34177.4-78.7-178.3158.700114.6I322 L361 G365 L366I322-E363 HydrophobicContact CG2-CB 4.36Å; L361-E363 VanDerWaalsContact C-N 3.25Å; L361-E363 PolarHBondContact O-N 3.09Å; L361-E363 VanDerWaalsContact O-N 3.13Å; E363-G365 PolarHBondContact O-N 3.36Å; E363-L366 HydrophobicContact CB-CD1 3.86Å; E363-L366 HydrophobicContact CB-CG 4.29Å; E363-L366 HydrophobicContact CG-CD1 3.65Å; E363-L366 HydrophobicContact CG-CG 4.39Å; E363-L366 VanDerWaalsContact O-CB 3.31Å; E363-L366 WeakPolarHBondContact O-CB 3.46Å; E363-L366 PolarHBondContact O-N 3.45Å
364I97.7Very high96.4Very high0 Ų045.7 Ų45.70%023%0.232CC..G310 helixtrans-54.8-32.1-177.6-164.8-179.4000112.5I316 F320 I322 L361 L366 S367 A377 L380 L384I316-I364 HydrophobicContact CG2-CD1 3.49Å; I316-I364 VanDerWaalsContact CG2-CD1 3.49Å; I316-I364 HydrophobicContact CG2-CG1 4.45Å; F320-I364 HydrophobicContact CB-CG1 3.95Å; F320-I364 HydrophobicContact CD1-CG1 4.18Å; F320-I364 HydrophobicContact CD2-CD1 3.86Å; F320-I364 HydrophobicContact CD2-CG1 4.11Å; F320-I364 HydrophobicContact CE2-CD1 4.14Å; F320-I364 HydrophobicContact CG-CD1 4.1Å; F320-I364 HydrophobicContact CG-CG1 3.82Å; I322-I364 HydrophobicContact CD1-CB 3.66Å; I322-I364 HydrophobicContact CD1-CD1 4.5Å; I322-I364 HydrophobicContact CD1-CG1 3.89Å; I322-I364 HydrophobicContact CG1-CB 4.4Å; L361-I364 VanDerWaalsContact O-CB 3.24Å; L361-I364 WeakPolarHBondContact O-CB 3.49Å; L361-I364 WeakPolarHBondContact O-CG2 3.44Å; L361-I364 PolarHBondContact O-N 2.94Å; I364-L366 VanDerWaalsContact C-N 3.29Å; I364-L366 PolarHBondContact O-N 3.42Å; I364-S367 VanDerWaalsContact O-CB 3.26Å; I364-S367 WeakPolarHBondContact O-CB 3.48Å; I364-S367 PolarHBondContact O-N 3.06Å; I364-S367 PolarHBondContact O-OG 2.82Å; I364-A377 HydrophobicContact CG2-CB 3.59Å; I364-L380 HydrophobicContact CD1-CB 4.11Å; I364-L380 HydrophobicContact CD1-CD1 4.15Å; I364-L380 HydrophobicContact CG1-CD1 3.89Å; I364-L380 HydrophobicContact CG2-CD1 4.47Å; I364-L384 HydrophobicContact CD1-CD1 3.93Å
365G97.5Very high96.5Very high0 Ų048.9 Ų48.90%025%0.247CC..G310 helixtrans-65.4-25.1177.200000115.1E363 S367 V368 D369 A373E363-G365 PolarHBondContact O-N 3.36Å; G365-S367 PolarHBondContact O-N 3.26Å; G365-V368 PolarHBondContact O-N 3.2Å; G365-D369 PolarHBondContact O-N 3.13Å; G365-A373 WeakPolarHBondContact CA-O 3.4Å
366L96.7Very high96.5Very high80 Ų8048.8 Ų48.842%0.41925%0.245SC..G310 helixtrans-65.1-20175.9-61.3-178.6000112.5E363 I364 V368 F370 A373E363-L366 HydrophobicContact CB-CD1 3.86Å; E363-L366 HydrophobicContact CB-CG 4.29Å; E363-L366 HydrophobicContact CG-CD1 3.65Å; E363-L366 HydrophobicContact CG-CG 4.39Å; E363-L366 VanDerWaalsContact O-CB 3.31Å; E363-L366 WeakPolarHBondContact O-CB 3.46Å; E363-L366 PolarHBondContact O-N 3.45Å; I364-L366 VanDerWaalsContact C-N 3.29Å; I364-L366 PolarHBondContact O-N 3.42Å; L366-V368 PolarHBondContact O-N 3Å; L366-F370 HydrophobicContact CD2-CB 4.38Å; L366-F370 HydrophobicContact CD2-CD2 3.91Å; L366-A373 HydrophobicContact CD2-CB 3.69Å; L366-A373 HydrophobicContact CG-CB 4.39Å
367S95.6Very high96.6Very high59 Ų5946.9 Ų46.941%0.41324%0.235SC..G310 helixtrans-68-13.6172.6-43.50000113F320 I364 G365F320-S367 PolarHBondContact O-OG 2.83Å; I364-S367 VanDerWaalsContact O-CB 3.26Å; I364-S367 WeakPolarHBondContact O-CB 3.48Å; I364-S367 PolarHBondContact O-N 3.06Å; I364-S367 PolarHBondContact O-OG 2.82Å; G365-S367 PolarHBondContact O-N 3.26Å
368V96.3Very high96.5Very high82 Ų8246.7 Ų46.750%0.49723%0.234SC..THydrogen-bonded Turntrans-107.6-62.5178.3-1770000110G365 L366 H376 L380G365-V368 PolarHBondContact O-N 3.2Å; L366-V368 PolarHBondContact O-N 3Å; V368-H376 HydrophobicContact CB-CB 4.03Å; V368-H376 HydrophobicContact CG1-CB 4.47Å; V368-H376 HydrophobicContact CG2-CB 4.2Å; V368-L380 HydrophobicContact CG2-CD1 3.99Å
369D95.6Very high96.4Very high74 Ų7453 Ų5340%0.39626%0.257SS..  trans-164.4153.5176.1-174.966.8000110.9G365 K371 A373G365-D369 PolarHBondContact O-N 3.13Å; D369-K371 WeakPolarHBondContact OD2-CB 3.5Å; D369-K371 PolarHBondContact OD2-N 3.01Å; D369-A373 WeakPolarHBondContact O-CA 3.26Å; D369-A373 PolarHBondContact O-N 3.43Å
370F94.1Very high96.4Very high166 Ų16653.6 Ų53.673%0.72826%0.26SS*.SBendtrans-74.2-40.1179.5169.6-99.7000113.7L366 Q372 A373L366-F370 HydrophobicContact CD2-CB 4.38Å; L366-F370 HydrophobicContact CD2-CD2 3.91Å; F370-Q372 VanDerWaalsContact C-N 3.26Å; F370-Q372 PolarHBondContact O-N 3.07Å; F370-A373 WeakPolarHBondContact O-CB 3.45Å; F370-A373 PolarHBondContact O-N 3.35Å
371K94Very high96.4Very high170 Ų17052.3 Ų52.374%0.73925%0.254SS*.THydrogen-bonded Turntrans-65.8-29.3-167.8-67.9-179178.7175.80113.3D369D369-K371 WeakPolarHBondContact OD2-CB 3.5Å; D369-K371 PolarHBondContact OD2-N 3.01Å
372Q94.6Very high96.2Very high95 Ų9558.2 Ų58.244%0.44428%0.276SS..THydrogen-bonded Turntrans-125.631.2-179.8-61.3-66.5-31.600110.9F370 P374 Q375 H376F370-Q372 VanDerWaalsContact C-N 3.26Å; F370-Q372 PolarHBondContact O-N 3.07Å; Q372-P374 VanDerWaalsContact C-CD 3.49Å; Q372-Q375 HydrophobicContact CB-CB 4.28Å; Q372-Q375 WeakPolarHBondContact O-CB 3.45Å; Q372-Q375 PolarHBondContact O-N 3.38Å; Q372-Q375 PolarHBondContact O-OE1 3.23Å; Q372-Q375 VanDerWaalsContact O-OE1 3.09Å; Q372-H376 PolarHBondContact O-CD2 2.86Å; Q372-H376 PolarHBondContact O-N 3.1Å
373A96.4Very high96.1Very high7 Ų761.6 Ų61.66%0.05830%0.295CS..Hα-helixtrans-53.2-44.1-17700000113.4G365 L366 D369 F370 Q375 H376 A377G365-A373 WeakPolarHBondContact CA-O 3.4Å; L366-A373 HydrophobicContact CD2-CB 3.69Å; L366-A373 HydrophobicContact CG-CB 4.39Å; D369-A373 WeakPolarHBondContact O-CA 3.26Å; D369-A373 PolarHBondContact O-N 3.43Å; F370-A373 WeakPolarHBondContact O-CB 3.45Å; F370-A373 PolarHBondContact O-N 3.35Å; A373-Q375 VanDerWaalsContact C-N 3.34Å; A373-Q375 PolarHBondContact O-N 2.69Å; A373-H376 PolarHBondContact O-N 3.41Å; A373-A377 VanDerWaalsContact O-CB 3.29Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 3.34Å
374P95.8Very high96Very high9 Ų960.3 Ų60.36%0.05829%0.29CS..Hα-helixtrans-58.5-40.9174.5-22.732000113.7Q372 A377 A378 L401 Q404 T405Q372-P374 VanDerWaalsContact C-CD 3.49Å; P374-A377 PolarHBondContact O-N 2.97Å; P374-A378 WeakPolarHBondContact O-CB 3.31Å; P374-A378 PolarHBondContact O-N 3.3Å; P374-L401 WeakPolarHBondContact CB-O 3.26Å; P374-Q404 HydrophobicContact CB-CG 4.11Å; P374-Q404 HydrophobicContact CG-CG 3.99Å; P374-T405 WeakPolarHBondContact CG-OG1 3.48Å
375Q95.7Very high95.6Very high71 Ų7164.6 Ų64.633%0.33231%0.312SS..Hα-helixtrans-69.5-41.8179.9-63.873.89.500110.7Q372 A373 A377 Y379 L402Q372-Q375 HydrophobicContact CB-CB 4.28Å; Q372-Q375 WeakPolarHBondContact O-CB 3.45Å; Q372-Q375 PolarHBondContact O-N 3.38Å; Q372-Q375 PolarHBondContact O-OE1 3.23Å; Q372-Q375 VanDerWaalsContact O-OE1 3.09Å; A373-Q375 VanDerWaalsContact C-N 3.34Å; A373-Q375 PolarHBondContact O-N 2.69Å; Q375-A377 VanDerWaalsContact C-N 3.34Å; Q375-Y379 VanDerWaalsContact O-CB 3.25Å; Q375-Y379 WeakPolarHBondContact O-CB 3.12Å; Q375-Y379 PolarHBondContact O-N 3.01Å; Q375-L402 HydrophobicContact CB-CD1 4.49Å; Q375-L402 HydrophobicContact CG-CD1 3.97Å
376H97.4Very high95.4Very high48 Ų4864.9 Ų64.922%0.22231%0.314CS..Hα-helixtrans-63.7-40173-63.9-42000111.5V368 Q372 A373 Y379 L380V368-H376 HydrophobicContact CB-CB 4.03Å; V368-H376 HydrophobicContact CG1-CB 4.47Å; V368-H376 HydrophobicContact CG2-CB 4.2Å; Q372-H376 PolarHBondContact O-CD2 2.86Å; Q372-H376 PolarHBondContact O-N 3.1Å; A373-H376 PolarHBondContact O-N 3.41Å; H376-Y379 PolarHBondContact O-N 3.24Å; H376-L380 WeakPolarHBondContact O-CB 3.35Å; H376-L380 VanDerWaalsContact O-CG 3.24Å; H376-L380 WeakPolarHBondContact O-CG 3.43Å; H376-L380 PolarHBondContact O-N 3.45Å
377A97.5Very high95.2Very high0 Ų062 Ų620%030%0.3CS..Hα-helixtrans-63-49.7177.100000111.7I364 A373 P374 Q375 Y379 L380 V381 L401I364-A377 HydrophobicContact CG2-CB 3.59Å; A373-A377 VanDerWaalsContact O-CB 3.29Å; A373-A377 WeakPolarHBondContact O-CB 3.42Å; A373-A377 PolarHBondContact O-N 3.34Å; P374-A377 PolarHBondContact O-N 2.97Å; Q375-A377 VanDerWaalsContact C-N 3.34Å; A377-Y379 VanDerWaalsContact C-N 3.33Å; A377-Y379 PolarHBondContact O-N 3.43Å; A377-L380 PolarHBondContact O-N 3.24Å; A377-V381 WeakPolarHBondContact O-CB 3.24Å; A377-V381 PolarHBondContact O-N 3.17Å; A377-L401 HydrophobicContact CB-CB 4.04Å; A377-L401 HydrophobicContact CB-CD1 4.18Å
378A96Very high95Very high2 Ų259.4 Ų59.42%0.01728%0.282CS..Hα-helixtrans-60-42.717500000112.1P374 R382 A398 L402P374-A378 WeakPolarHBondContact O-CB 3.31Å; P374-A378 PolarHBondContact O-N 3.3Å; A378-R382 WeakPolarHBondContact O-CB 3.05Å; A378-R382 PolarHBondContact O-N 2.9Å; A378-A398 HydrophobicContact CB-CB 4.33Å; A378-A398 VanDerWaalsContact CB-O 3.22Å; A378-A398 WeakPolarHBondContact CB-O 3.4Å; A378-A398 WeakPolarHBondContact O-CB 3.11Å; A378-L402 HydrophobicContact CB-CB 3.9Å; A378-L402 HydrophobicContact CB-CD1 4.23Å
379Y96.6Very high95Very high139 Ų13956.3 Ų56.355%0.54526%0.262SS..Hα-helixtrans-62.3-49.9176.3173.4-95.1000111.8Q375 H376 A377 R382 N383Q375-Y379 VanDerWaalsContact O-CB 3.25Å; Q375-Y379 WeakPolarHBondContact O-CB 3.12Å; Q375-Y379 PolarHBondContact O-N 3.01Å; H376-Y379 PolarHBondContact O-N 3.24Å; A377-Y379 VanDerWaalsContact C-N 3.33Å; A377-Y379 PolarHBondContact O-N 3.43Å; Y379-R382 PolarHBondContact O-N 2.9Å; Y379-N383 VanDerWaalsContact CD2-ND2 3.31Å; Y379-N383 WeakPolarHBondContact CD2-ND2 3.49Å; Y379-N383 VanDerWaalsContact CE2-ND2 3.29Å; Y379-N383 WeakPolarHBondContact CE2-ND2 3.24Å; Y379-N383 WeakPolarHBondContact O-CB 3.1Å; Y379-N383 PolarHBondContact O-N 3.15Å; Y379-N383 PolarHBondContact O-ND2 2.94Å
380L97.3Very high94.8Very high22 Ų2253.5 Ų53.512%0.11525%0.248CC..Hα-helixtrans-61.8-50.6-179.6-73.8172.4000110.4F320 I364 V368 H376 A377 R382 N383 L384F320-L380 HydrophobicContact CD1-CD1 4.36Å; F320-L380 HydrophobicContact CE1-CD1 4.01Å; F320-L380 HydrophobicContact CE1-CD2 4.01Å; F320-L380 HydrophobicContact CZ-CD2 4.1Å; I364-L380 HydrophobicContact CD1-CB 4.11Å; I364-L380 HydrophobicContact CD1-CD1 4.15Å; I364-L380 HydrophobicContact CG1-CD1 3.89Å; I364-L380 HydrophobicContact CG2-CD1 4.47Å; V368-L380 HydrophobicContact CG2-CD1 3.99Å; H376-L380 WeakPolarHBondContact O-CB 3.35Å; H376-L380 VanDerWaalsContact O-CG 3.24Å; H376-L380 WeakPolarHBondContact O-CG 3.43Å; H376-L380 PolarHBondContact O-N 3.45Å; A377-L380 PolarHBondContact O-N 3.24Å; L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 2.9Å; L380-N383 PolarHBondContact O-N 2.95Å; L380-L384 HydrophobicContact CB-CD1 4.08Å; L380-L384 VanDerWaalsContact O-CB 3.28Å; L380-L384 WeakPolarHBondContact O-CB 3.45Å; L380-L384 WeakPolarHBondContact O-CG 3.42Å; L380-L384 PolarHBondContact O-N 3.49Å
381V97.1Very high94.6Very high0 Ų048 Ų480%023%0.229CC..Hα-helixtrans-61.9-35.3179.1169.30000111.9L361 A377 N383 L386 K394 L397 A398 L401L361-V381 HydrophobicContact CD1-CG2 3.9Å; A377-V381 WeakPolarHBondContact O-CB 3.24Å; A377-V381 PolarHBondContact O-N 3.17Å; V381-N383 VanDerWaalsContact C-N 3.32Å; V381-N383 PolarHBondContact O-N 3.38Å; V381-L386 HydrophobicContact CG1-CD2 4.02Å; V381-K394 HydrophobicContact CG1-CG 4.4Å; V381-K394 WeakPolarHBondContact O-CE 3.29Å; V381-K394 VanDerWaalsContact O-CG 3.26Å; V381-K394 WeakPolarHBondContact O-CG 3.43Å; V381-L397 HydrophobicContact CG1-CB 3.76Å; V381-A398 HydrophobicContact CB-CB 4.42Å; V381-A398 HydrophobicContact CG1-CB 4.21Å; V381-L401 HydrophobicContact CB-CD1 4.02Å; V381-L401 HydrophobicContact CG1-CD1 4.49Å; V381-L401 HydrophobicContact CG2-CD1 3.38Å
382R95.1Very high94.5Very high124 Ų12439.9 Ų39.947%0.46819%0.194SC..Hα-helixtrans-69-27.2175.3-170178.9-61.21332.7113.6A378 Y379 L380 K394 A398A378-R382 WeakPolarHBondContact O-CB 3.05Å; A378-R382 PolarHBondContact O-N 2.9Å; Y379-R382 PolarHBondContact O-N 2.9Å; L380-R382 VanDerWaalsContact C-N 3.27Å; L380-R382 PolarHBondContact O-N 2.9Å; R382-K394 WeakPolarHBondContact O-CE 3.19Å; R382-K394 PolarHBondContact O-NZ 3.28Å; R382-A398 HydrophobicContact CB-CB 4.31Å
383N95.1Very high94.4Very high99 Ų9936 Ų3653%0.52918%0.175SC..Hα-helixtrans-111.3-11.5-171.9-68.1-72.4000114.6Y379 L380 V381Y379-N383 VanDerWaalsContact CD2-ND2 3.31Å; Y379-N383 WeakPolarHBondContact CD2-ND2 3.49Å; Y379-N383 VanDerWaalsContact CE2-ND2 3.29Å; Y379-N383 WeakPolarHBondContact CE2-ND2 3.24Å; Y379-N383 WeakPolarHBondContact O-CB 3.1Å; Y379-N383 PolarHBondContact O-N 3.15Å; Y379-N383 PolarHBondContact O-ND2 2.94Å; L380-N383 PolarHBondContact O-N 2.95Å; V381-N383 VanDerWaalsContact C-N 3.32Å; V381-N383 PolarHBondContact O-N 3.38Å
384L93.4Very high94.3Very high20 Ų2037.8 Ų37.811%0.10518%0.182CC..SBendtrans-77.4153.4172.9-73.6169.2000111.4F320 I364 L380 L386 K394F320-L384 HydrophobicContact CE2-CD1 3.58Å; F320-L384 HydrophobicContact CE2-CD2 4.03Å; F320-L384 HydrophobicContact CE2-CG 4.45Å; F320-L384 HydrophobicContact CZ-CD1 3.88Å; F320-L384 HydrophobicContact CZ-CD2 3.99Å; F320-L384 HydrophobicContact CZ-CG 4.48Å; I364-L384 HydrophobicContact CD1-CD1 3.93Å; L380-L384 HydrophobicContact CB-CD1 4.08Å; L380-L384 VanDerWaalsContact O-CB 3.28Å; L380-L384 WeakPolarHBondContact O-CB 3.45Å; L380-L384 WeakPolarHBondContact O-CG 3.42Å; L380-L384 PolarHBondContact O-N 3.49Å; L384-L386 HydrophobicContact CB-CD1 3.5Å; L384-L386 VanDerWaalsContact O-CD1 3.32Å; L384-L386 WeakPolarHBondContact O-CD1 3.48Å; L384-K394 WeakPolarHBondContact O-CE 3.42Å; L384-K394 PolarHBondContact O-NZ 3.37Å
385D90Very high94.2Very high89 Ų8940.2 Ų40.248%0.47619%0.191SC..  trans-75.1124.7166-167.410.1000108.7P387D385-P387 VanDerWaalsContact C-CD 3.45Å; D385-P387 WeakPolarHBondContact O-CD 3.34Å
386L93.6Very high94.1Very high6 Ų637.9 Ų37.93%0.03118%0.181CC..  trans-124.170.4-178.1-86.777.8000109.8T312 I316 V381 L384 G388 F389 K394 L397T312-L386 HydrophobicContact CG2-CB 4.27Å; T312-L386 HydrophobicContact CG2-CG 4.27Å; I316-L386 HydrophobicContact CD1-CD1 4.12Å; I316-L386 HydrophobicContact CD1-CG 3.98Å; V381-L386 HydrophobicContact CG1-CD2 4.02Å; L384-L386 HydrophobicContact CB-CD1 3.5Å; L384-L386 VanDerWaalsContact O-CD1 3.32Å; L384-L386 WeakPolarHBondContact O-CD1 3.48Å; L386-G388 PolarHBondContact O-N 3.27Å; L386-F389 HydrophobicContact CB-CB 4.15Å; L386-F389 HydrophobicContact CB-CD2 3.87Å; L386-F389 HydrophobicContact CB-CG 4.35Å; L386-F389 HydrophobicContact CD2-CD2 4.16Å; L386-F389 HydrophobicContact CD2-CG 4.43Å; L386-F389 HydrophobicContact CG-CD2 4.43Å; L386-F389 WeakPolarHBondContact O-CB 3.46Å; L386-F389 PolarHBondContact O-N 3.43Å; L386-K394 HydrophobicContact CD2-CG 4.43Å; L386-L397 HydrophobicContact CD2-CD1 4.06Å
387P91.6Very high94Very high21 Ų2135.7 Ų35.714%0.13617%0.171CC..THydrogen-bonded Turntrans-51.2137.4173.8-24.833.9000110.6I308 T312 D385I308-P387 HydrophobicContact CG2-CB 4.1Å; T312-P387 WeakPolarHBondContact CB-O 3.26Å; T312-P387 PolarHBondContact OG1-O 3.19Å; D385-P387 VanDerWaalsContact C-CD 3.45Å; D385-P387 WeakPolarHBondContact O-CD 3.34Å
388G92.8Very high93.9Very high3 Ų335.7 Ų35.73%0.03117%0.171CC..THydrogen-bonded Turntrans95.6-16.2-173.300000114.6T127 R309 L386T127-G388 PolarHBondContact O-N 3.22Å; R309-G388 WeakPolarHBondContact CG-O 3.29Å; R309-G388 PolarHBondContact NE-O 3.32Å; L386-G388 PolarHBondContact O-N 3.27Å
389F94.4Very high93.9Very high18 Ų1836 Ų368%0.07917%0.172CC..  trans-116.1134.2178.4-58.7-91.3000110.4R309 T312 L313 L354 S357 L386 Q393 L397R309-F389 HydrophobicContact CB-CE1 4.41Å; R309-F389 HydrophobicContact CB-CE2 3.81Å; R309-F389 HydrophobicContact CB-CZ 3.68Å; R309-F389 HydrophobicContact CG-CD1 4.42Å; R309-F389 HydrophobicContact CG-CD2 4.16Å; R309-F389 HydrophobicContact CG-CE1 4.02Å; R309-F389 HydrophobicContact CG-CE2 3.76Å; R309-F389 HydrophobicContact CG-CG 4.49Å; R309-F389 HydrophobicContact CG-CZ 3.69Å; T312-F389 HydrophobicContact CG2-CD2 4.48Å; T312-F389 HydrophobicContact CG2-CE2 4.29Å; L313-F389 HydrophobicContact CD1-CZ 4.46Å; L313-F389 HydrophobicContact CD2-CE2 4.43Å; L313-F389 HydrophobicContact CD2-CZ 4.19Å; L313-F389 HydrophobicContact CG-CE2 4.49Å; L313-F389 HydrophobicContact CG-CZ 4.29Å; L354-F389 HydrophobicContact CD2-CD1 3.9Å; L354-F389 HydrophobicContact CD2-CE1 3.94Å; S357-F389 WeakPolarHBondContact OG-CZ 3.37Å; L386-F389 HydrophobicContact CB-CB 4.15Å; L386-F389 HydrophobicContact CB-CD2 3.87Å; L386-F389 HydrophobicContact CB-CG 4.35Å; L386-F389 HydrophobicContact CD2-CD2 4.16Å; L386-F389 HydrophobicContact CD2-CG 4.43Å; L386-F389 HydrophobicContact CG-CD2 4.43Å; L386-F389 WeakPolarHBondContact O-CB 3.46Å; L386-F389 PolarHBondContact O-N 3.43Å; F389-Q393 HydrophobicContact CB-CB 4.35Å; F389-Q393 HydrophobicContact CD1-CB 4.42Å; F389-L397 HydrophobicContact CD1-CD1 3.69Å; F389-L397 HydrophobicContact CE1-CD1 3.68Å; F389-L397 HydrophobicContact CG-CD1 4.29Å; F389-L397 HydrophobicContact CZ-CD1 4.26Å
390T92Very high93.8Very high14 Ų1431.9 Ų31.99%0.08616%0.16CC..  trans-74.2165.3172.863.60000111E229 A392 Q393 K394E229-T390 VanDerWaalsContact CD-OG1 3.27Å; E229-T390 PolarHBondContact OE1-OG1 3.13Å; E229-T390 WeakPolarHBondContact OE2-CB 3.39Å; E229-T390 VanDerWaalsContact OE2-CG2 3.29Å; E229-T390 WeakPolarHBondContact OE2-CG2 3.38Å; E229-T390 PolarHBondContact OE2-OG1 2.87Å; T390-A392 PolarHBondContact O-N 3.15Å; T390-Q393 PolarHBondContact O-N 2.96Å; T390-Q393 WeakPolarHBondContact OG1-CB 3.47Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.34Å; T390-Q393 PolarHBondContact OG1-N 3.09Å; T390-Q393 VanDerWaalsContact OG1-N 3.13Å; T390-Q393 PolarHBondContact OG1-NE2 3.3Å; T390-K394 VanDerWaalsContact O-CB 3.29Å; T390-K394 WeakPolarHBondContact O-CB 3.49Å; T390-K394 PolarHBondContact O-N 3.02Å
391P90.7Very high93.7Very high51 Ų5131 Ų3133%0.33116%0.155SC..Hα-helixtrans-54.4-38.4173.5-2836.5000113.6M223 L286 K395M223-P391 HydrophobicContact CE-CB 4.48Å; M223-P391 HydrophobicContact SD-CB 3.99Å; L286-P391 HydrophobicContact CD2-CG 4.22Å; P391-K395 WeakPolarHBondContact O-CB 3.42Å; P391-K395 PolarHBondContact O-N 3.3Å
392A90.5Very high93.6Very high0 Ų033.4 Ų33.40%017%0.168CC..Hα-helixtrans-70.9-43.2179.300000112.1E229 T390 K394 K395 L396 N417 A418E229-A392 HydrophobicContact CB-CB 3.84Å; E229-A392 HydrophobicContact CG-CB 4.25Å; E229-A392 WeakPolarHBondContact OE2-CB 3.33Å; T390-A392 PolarHBondContact O-N 3.15Å; A392-K394 PolarHBondContact O-N 2.91Å; A392-K395 WeakPolarHBondContact O-CB 3.34Å; A392-K395 PolarHBondContact O-N 3.02Å; A392-L396 PolarHBondContact O-N 3.12Å; A392-N417 HydrophobicContact CB-CB 4.02Å; A392-A418 HydrophobicContact CB-CB 4.47Å
393Q93.3Very high93.6Very high12 Ų1228.8 Ų28.86%0.05615%0.152CC..Hα-helixtrans-62.4-43.3174.4-69.2164.318.900111.2E229 L354 F389 T390 K395 L396 L397 A418E229-Q393 PolarHBondContact OE1-NE2 2.88Å; L354-Q393 HydrophobicContact CD1-CB 4.4Å; L354-Q393 HydrophobicContact CD1-CG 3.95Å; L354-Q393 HydrophobicContact CD2-CB 3.93Å; L354-Q393 HydrophobicContact CD2-CG 4.04Å; F389-Q393 HydrophobicContact CB-CB 4.35Å; F389-Q393 HydrophobicContact CD1-CB 4.42Å; T390-Q393 PolarHBondContact O-N 2.96Å; T390-Q393 WeakPolarHBondContact OG1-CB 3.47Å; T390-Q393 WeakPolarHBondContact OG1-CG 3.34Å; T390-Q393 PolarHBondContact OG1-N 3.09Å; T390-Q393 VanDerWaalsContact OG1-N 3.13Å; T390-Q393 PolarHBondContact OG1-NE2 3.3Å; Q393-K395 VanDerWaalsContact C-N 3.3Å; Q393-K395 PolarHBondContact O-N 3.49Å; Q393-L396 WeakPolarHBondContact O-CB 3.21Å; Q393-L396 PolarHBondContact O-N 2.91Å; Q393-L396 VanDerWaalsContact O-N 3.15Å; Q393-L397 WeakPolarHBondContact O-CG 3.39Å; Q393-L397 PolarHBondContact O-N 2.96Å; Q393-A418 HydrophobicContact CG-CB 4.47Å
394K94.2Very high93.3Very high46 Ų4627.4 Ų27.420%0.214%0.143CC..Hα-helixtrans-60.5-38.9175.2-176.9179.6172.9-1660112.1V381 R382 L384 L386 T390 A392 A398V381-K394 HydrophobicContact CG1-CG 4.4Å; V381-K394 WeakPolarHBondContact O-CE 3.29Å; V381-K394 VanDerWaalsContact O-CG 3.26Å; V381-K394 WeakPolarHBondContact O-CG 3.43Å; R382-K394 WeakPolarHBondContact O-CE 3.19Å; R382-K394 PolarHBondContact O-NZ 3.28Å; L384-K394 WeakPolarHBondContact O-CE 3.42Å; L384-K394 PolarHBondContact O-NZ 3.37Å; L386-K394 HydrophobicContact CD2-CG 4.43Å; T390-K394 VanDerWaalsContact O-CB 3.29Å; T390-K394 WeakPolarHBondContact O-CB 3.49Å; T390-K394 PolarHBondContact O-N 3.02Å; A392-K394 PolarHBondContact O-N 2.91Å; K394-A398 WeakPolarHBondContact O-CB 3.25Å; K394-A398 PolarHBondContact O-N 2.98Å
395K92.9Very high93Very high59 Ų5929.7 Ų29.726%0.25716%0.158SC..Hα-helixtrans-62.9-46.1172.6-173.6179.1179.6-176.80111P391 A392 Q393 A398 T399 Q415 N417P391-K395 WeakPolarHBondContact O-CB 3.42Å; P391-K395 PolarHBondContact O-N 3.3Å; A392-K395 WeakPolarHBondContact O-CB 3.34Å; A392-K395 PolarHBondContact O-N 3.02Å; Q393-K395 VanDerWaalsContact C-N 3.3Å; Q393-K395 PolarHBondContact O-N 3.49Å; K395-A398 PolarHBondContact O-N 2.84Å; K395-T399 PolarHBondContact O-N 2.58Å; K395-T399 PolarHBondContact O-OG1 2.56Å; K395-T399 VanDerWaalsContact O-OG1 3.08Å; K395-Q415 WeakPolarHBondContact CE-O 3.26Å; K395-Q415 PolarHBondContact NZ-O 3.34Å; K395-N417 PolarHBondContact NZ-OD1 2.84Å
396L93.6Very high92.5Very high23 Ų2331.6 Ų31.612%0.1217%0.168CC..Hα-helixtrans-59.9-47.9175.9177.761.1000111.9L354 A392 Q393 A398 T399 L400 Q416 A418L354-L396 HydrophobicContact CD1-CD2 3.86Å; A392-L396 PolarHBondContact O-N 3.12Å; Q393-L396 WeakPolarHBondContact O-CB 3.21Å; Q393-L396 PolarHBondContact O-N 2.91Å; Q393-L396 VanDerWaalsContact O-N 3.15Å; L396-A398 VanDerWaalsContact C-N 3.33Å; L396-A398 PolarHBondContact O-N 3.42Å; L396-T399 WeakPolarHBondContact O-CB 3.5Å; L396-T399 PolarHBondContact O-N 3.03Å; L396-T399 VanDerWaalsContact O-N 3.09Å; L396-L400 HydrophobicContact CD1-CD1 4.46Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CG-CD1 4.25Å; L396-L400 HydrophobicContact CG-CG 4.41Å; L396-L400 WeakPolarHBondContact O-CG 3.4Å; L396-L400 PolarHBondContact O-N 2.89Å; L396-Q416 HydrophobicContact CD1-CB 4.42Å; L396-Q416 HydrophobicContact CD1-CG 4.13Å; L396-A418 HydrophobicContact CB-CB 4.03Å; L396-A418 HydrophobicContact CD2-CB 3.88Å
397L96.2Very high92.2Very high1 Ų137.2 Ų37.21%0.00521%0.205CC..Hα-helixtrans-56.1-48.1176.4-66.5-177.4000111.3L354 A358 V381 L386 F389 Q393 T399 L400 L401L354-L397 HydrophobicContact CB-CD2 4.27Å; L354-L397 HydrophobicContact CD2-CD2 4.4Å; L354-L397 WeakPolarHBondContact O-CD2 3.31Å; A358-L397 HydrophobicContact CB-CD2 3.99Å; V381-L397 HydrophobicContact CG1-CB 3.76Å; L386-L397 HydrophobicContact CD2-CD1 4.06Å; F389-L397 HydrophobicContact CD1-CD1 3.69Å; F389-L397 HydrophobicContact CE1-CD1 3.68Å; F389-L397 HydrophobicContact CG-CD1 4.29Å; F389-L397 HydrophobicContact CZ-CD1 4.26Å; Q393-L397 WeakPolarHBondContact O-CG 3.39Å; Q393-L397 PolarHBondContact O-N 2.96Å; L397-T399 VanDerWaalsContact C-N 3.28Å; L397-T399 PolarHBondContact O-N 3.41Å; L397-L400 PolarHBondContact O-N 3.41Å; L397-L401 WeakPolarHBondContact O-CB 3.39Å; L397-L401 WeakPolarHBondContact O-CG 3.45Å; L397-L401 PolarHBondContact O-N 2.97Å
398A95.8Very high92.1Very high0 Ų040.2 Ų40.20%022%0.222CC..Hα-helixtrans-60.3-38.6177.100000112.3A378 V381 R382 K394 K395 L396 L402A378-A398 HydrophobicContact CB-CB 4.33Å; A378-A398 VanDerWaalsContact CB-O 3.22Å; A378-A398 WeakPolarHBondContact CB-O 3.4Å; A378-A398 WeakPolarHBondContact O-CB 3.11Å; V381-A398 HydrophobicContact CB-CB 4.42Å; V381-A398 HydrophobicContact CG1-CB 4.21Å; R382-A398 HydrophobicContact CB-CB 4.31Å; K394-A398 WeakPolarHBondContact O-CB 3.25Å; K394-A398 PolarHBondContact O-N 2.98Å; K395-A398 PolarHBondContact O-N 2.84Å; L396-A398 VanDerWaalsContact C-N 3.33Å; L396-A398 PolarHBondContact O-N 3.42Å; A398-L402 WeakPolarHBondContact O-CB 3.41Å; A398-L402 PolarHBondContact O-N 3Å
399T95Very high92Very high8 Ų843.5 Ų43.55%0.04924%0.239CC..Hα-helixtrans-67.3-42.8176.3-610000112.1K395 L396 L397 L401 L402 N403 L413K395-T399 PolarHBondContact O-N 2.58Å; K395-T399 PolarHBondContact O-OG1 2.56Å; K395-T399 VanDerWaalsContact O-OG1 3.08Å; L396-T399 WeakPolarHBondContact O-CB 3.5Å; L396-T399 PolarHBondContact O-N 3.03Å; L396-T399 VanDerWaalsContact O-N 3.09Å; L397-T399 VanDerWaalsContact C-N 3.28Å; L397-T399 PolarHBondContact O-N 3.41Å; T399-L401 VanDerWaalsContact C-N 3.33Å; T399-L401 PolarHBondContact O-N 3.39Å; T399-L402 PolarHBondContact O-N 3.49Å; T399-N403 PolarHBondContact O-N 2.79Å; T399-N403 PolarHBondContact O-ND2 2.87Å; T399-L413 HydrophobicContact CG2-CD2 3.61Å; T399-L413 HydrophobicContact CG2-CG 3.99Å
400L95.3Very high91.6Very high54 Ų5447.8 Ų47.828%0.28326%0.262SS..Hα-helixtrans-60.2-44.6175.5-68.6174.6000111.1A358 L396 L397 L402 N403 Q404A358-L400 HydrophobicContact CB-CB 4.07Å; A358-L400 HydrophobicContact CB-CD1 3.92Å; L396-L400 HydrophobicContact CD1-CD1 4.46Å; L396-L400 HydrophobicContact CD1-CG 4.19Å; L396-L400 HydrophobicContact CG-CD1 4.25Å; L396-L400 HydrophobicContact CG-CG 4.41Å; L396-L400 WeakPolarHBondContact O-CG 3.4Å; L396-L400 PolarHBondContact O-N 2.89Å; L397-L400 PolarHBondContact O-N 3.41Å; L400-L402 PolarHBondContact O-N 3.44Å; L400-N403 CarbonylContact O-C 3.43Å; L400-N403 PolarHBondContact O-N 2.88Å; L400-Q404 PolarHBondContact O-N 2.87Å
401L95.8Very high91.4Very high3 Ų350.1 Ų50.12%0.01628%0.279CS..Hα-helixtrans-64.5-37.2178.2-68.4179.5000113.1A358 L361 H362 P374 A377 V381 L397 T399 N403 Q404A358-L401 HydrophobicContact CB-CD2 4.45Å; A358-L401 WeakPolarHBondContact O-CD2 3.41Å; L361-L401 HydrophobicContact CB-CD1 4.41Å; H362-L401 VanDerWaalsContact CA-CD2 3.49Å; H362-L401 HydrophobicContact CB-CD2 4.06Å; P374-L401 WeakPolarHBondContact CB-O 3.26Å; A377-L401 HydrophobicContact CB-CB 4.04Å; A377-L401 HydrophobicContact CB-CD1 4.18Å; V381-L401 HydrophobicContact CB-CD1 4.02Å; V381-L401 HydrophobicContact CG1-CD1 4.49Å; V381-L401 HydrophobicContact CG2-CD1 3.38Å; L397-L401 WeakPolarHBondContact O-CB 3.39Å; L397-L401 WeakPolarHBondContact O-CG 3.45Å; L397-L401 PolarHBondContact O-N 2.97Å; T399-L401 VanDerWaalsContact C-N 3.33Å; T399-L401 PolarHBondContact O-N 3.39Å; L401-N403 PolarHBondContact O-N 3.47Å; L401-Q404 WeakPolarHBondContact O-CG 3.25Å; L401-Q404 PolarHBondContact O-N 3.33Å
402L94.6Very high91.2Very high51 Ų5148.3 Ų48.327%0.26727%0.268SS..Hα-helixtrans-62.8-33.9175.6-173.862.3000112Q375 A378 A398 T399 L400Q375-L402 HydrophobicContact CB-CD1 4.49Å; Q375-L402 HydrophobicContact CG-CD1 3.97Å; A378-L402 HydrophobicContact CB-CB 3.9Å; A378-L402 HydrophobicContact CB-CD1 4.23Å; A398-L402 WeakPolarHBondContact O-CB 3.41Å; A398-L402 PolarHBondContact O-N 3Å; T399-L402 PolarHBondContact O-N 3.49Å; L400-L402 PolarHBondContact O-N 3.44Å
403N94Very high90.9Very high26 Ų2650.7 Ų50.714%0.13928%0.28CS..THydrogen-bonded Turntrans-96.714.9-174.9-71.9-79.2000113.6T399 L400 L401 T405 D409 S412T399-N403 PolarHBondContact O-N 2.79Å; T399-N403 PolarHBondContact O-ND2 2.87Å; L400-N403 CarbonylContact O-C 3.43Å; L400-N403 PolarHBondContact O-N 2.88Å; L401-N403 PolarHBondContact O-N 3.47Å; N403-T405 PolarHBondContact O-N 3.21Å; N403-D409 PolarHBondContact OD1-N 3.46Å; N403-S412 PolarHBondContact ND2-OG 3.01Å
404Q90.4Very high90.5Very high71 Ų7157.6 Ų57.633%0.33231%0.312SS..SBendtrans-71.9-17.2-178.674-175.22.500114H362 P374 L400 L401H362-Q404 PolarHBondContact O-NE2 2.87Å; H362-Q404 PolarHBondContact O-OE1 3.21Å; P374-Q404 HydrophobicContact CB-CG 4.11Å; P374-Q404 HydrophobicContact CG-CG 3.99Å; L400-Q404 PolarHBondContact O-N 2.87Å; L401-Q404 WeakPolarHBondContact O-CG 3.25Å; L401-Q404 PolarHBondContact O-N 3.33Å
405T85.2Confident89.9Confident68 Ų6861.4 Ų61.442%0.41733%0.331SS..SBendtrans-139.7159.3176.457.50000109.7P374 N403P374-T405 WeakPolarHBondContact CG-OG1 3.48Å; N403-T405 PolarHBondContact O-N 3.21Å
406N81.5Confident89.3Confident129 Ų12960.5 Ų60.569%0.6933%0.328SS*.SBendtrans69.7174.5-177.8-48.1-55.2000112.6V408N406-V408 PolarHBondContact O-N 3.31Å
407P87.2Confident88.6Confident124 Ų12459.7 Ų59.781%0.80532%0.323SS*.SBendtrans-57139176-25.336000111.6D409P407-D409 PolarHBondContact O-N 2.92Å
408V89.4Confident87.7Confident84 Ų8459.8 Ų59.851%0.50932%0.324SS..  trans-64.5122.8-179.6-179.60000110.1N406 L410 L413N406-V408 PolarHBondContact O-N 3.31Å; V408-L410 HydrophobicContact CG1-CD2 4.12Å; V408-L410 PolarHBondContact O-N 3.15Å; V408-L413 HydrophobicContact CG1-CD1 3.52Å
409D89.6Confident86.2Confident71 Ų7160.4 Ų60.438%0.3833%0.328SS..  trans-80.491.1170.6177.512.9000110.1N403 P407 S411 S412 L413N403-D409 PolarHBondContact OD1-N 3.46Å; P407-D409 PolarHBondContact O-N 2.92Å; D409-S411 PolarHBondContact O-N 2.84Å; D409-S411 VanDerWaalsContact OD1-CB 3.32Å; D409-S411 WeakPolarHBondContact OD1-CB 3.32Å; D409-S411 PolarHBondContact OD1-N 3.46Å; D409-S411 PolarHBondContact OD1-OG 2.96Å; D409-S411 PolarHBondContact OD2-OG 3.48Å; D409-S412 PolarHBondContact O-N 3.05Å; D409-S412 PolarHBondContact O-OG 3.18Å; D409-S412 PolarHBondContact OD1-N 3.03Å; D409-S412 WeakPolarHBondContact OD2-CB 3.48Å; D409-L413 PolarHBondContact O-N 3.36Å
410L87.4Confident84.2Confident108 Ų10863.9 Ų63.957%0.56535%0.353SS*.Hα-helixtrans-58.8-27.7177.3-63.7177000112.9V408 S412 L413 H414V408-L410 HydrophobicContact CG1-CD2 4.12Å; V408-L410 PolarHBondContact O-N 3.15Å; L410-S412 VanDerWaalsContact C-N 3.34Å; L410-S412 PolarHBondContact O-N 3.42Å; L410-L413 HydrophobicContact CD2-CD1 4.38Å; L410-L413 PolarHBondContact O-N 2.99Å; L410-H414 VanDerWaalsContact O-CG 3.31Å; L410-H414 PolarHBondContact O-N 2.91Å
411S87.8Confident81.6Confident63 Ų6364.6 Ų64.644%0.44136%0.361SS..Hα-helixtrans-66.3-39.9179.678.40000111.3D409 L413 H414 Q415D409-S411 PolarHBondContact O-N 2.84Å; D409-S411 VanDerWaalsContact OD1-CB 3.32Å; D409-S411 WeakPolarHBondContact OD1-CB 3.32Å; D409-S411 PolarHBondContact OD1-N 3.46Å; D409-S411 PolarHBondContact OD1-OG 2.96Å; D409-S411 PolarHBondContact OD2-OG 3.48Å; S411-L413 VanDerWaalsContact C-N 3.31Å; S411-L413 PolarHBondContact O-N 3.43Å; S411-H414 PolarHBondContact O-N 2.9Å; S411-Q415 WeakPolarHBondContact O-CG 3.44Å; S411-Q415 PolarHBondContact O-N 2.98Å
412S85.2Confident80.9Confident13 Ų1367.7 Ų67.79%0.09138%0.378CS..Hα-helixtrans-65-34.3175.573.40000112.8N403 D409 L410N403-S412 PolarHBondContact ND2-OG 3.01Å; D409-S412 PolarHBondContact O-N 3.05Å; D409-S412 PolarHBondContact O-OG 3.18Å; D409-S412 PolarHBondContact OD1-N 3.03Å; D409-S412 WeakPolarHBondContact OD2-CB 3.48Å; L410-S412 VanDerWaalsContact C-N 3.34Å; L410-S412 PolarHBondContact O-N 3.42Å
413L84.9Confident80.1Confident51 Ų5168.6 Ų68.627%0.26738%0.384SS..Hα-helixtrans-73-38.6177-72.9167.8000111.9T399 V408 D409 L410 S411 Q415 Q416T399-L413 HydrophobicContact CG2-CD2 3.61Å; T399-L413 HydrophobicContact CG2-CG 3.99Å; V408-L413 HydrophobicContact CG1-CD1 3.52Å; D409-L413 PolarHBondContact O-N 3.36Å; L410-L413 HydrophobicContact CD2-CD1 4.38Å; L410-L413 PolarHBondContact O-N 2.99Å; S411-L413 VanDerWaalsContact C-N 3.31Å; S411-L413 PolarHBondContact O-N 3.43Å; L413-Q415 PolarHBondContact O-N 3.15Å; L413-Q416 WeakPolarHBondContact O-CG 3.39Å; L413-Q416 PolarHBondContact O-N 3.33Å
414H84Confident79.4Confident156 Ų15670.9 Ų70.972%0.72240%0.398SS*.Hα-helixtrans-67.2-18.9176.6-66.6165.9000113.8L410 S411L410-H414 VanDerWaalsContact O-CG 3.31Å; L410-H414 PolarHBondContact O-N 2.91Å; S411-H414 PolarHBondContact O-N 2.9Å
415Q81.7Confident78.7Confident127 Ų12770.9 Ų70.959%0.59340%0.401SS*.THydrogen-bonded Turntrans-86.8-5.3179.3-70175.312.600113.7K395 S411 L413 N417K395-Q415 WeakPolarHBondContact CE-O 3.26Å; K395-Q415 PolarHBondContact NZ-O 3.34Å; S411-Q415 WeakPolarHBondContact O-CG 3.44Å; S411-Q415 PolarHBondContact O-N 2.98Å; L413-Q415 PolarHBondContact O-N 3.15Å; Q415-N417 PolarHBondContact O-OD1 2.96Å
416Q80.2Confident78.3Confident40 Ų4071.1 Ų71.119%0.18740%0.4CS..  trans-76.1154-178.476.984.51900111.7L396 L413 A418L396-Q416 HydrophobicContact CD1-CB 4.42Å; L396-Q416 HydrophobicContact CD1-CG 4.13Å; L413-Q416 WeakPolarHBondContact O-CG 3.39Å; L413-Q416 PolarHBondContact O-N 3.33Å; Q416-A418 PolarHBondContact NE2-O 3.13Å; Q416-A418 VanDerWaalsContact OE1-CB 3.26Å; Q416-A418 PolarHBondContact OE1-O 2.82Å
417N79.4Confident78.1Confident5 Ų567.3 Ų67.33%0.02738%0.381CS..  trans-124.62.8-172.4-61.291.6000113.7G226 M227 D228 E229 A392 K395 Q415G226-N417 WeakPolarHBondContact CA-ND2 3.44Å; M227-N417 PolarHBondContact O-ND2 3.06Å; D228-N417 WeakPolarHBondContact CA-O 3.46Å; E229-N417 PolarHBondContact N-O 3.16Å; E229-N417 VanDerWaalsContact N-O 3.16Å; A392-N417 HydrophobicContact CB-CB 4.02Å; K395-N417 PolarHBondContact NZ-OD1 2.84Å; Q415-N417 PolarHBondContact O-OD1 2.96Å
418A77.3Confident77.5Confident3 Ų363.2 Ų63.23%0.02535%0.351CS..SBendtrans-62.4156.4173.400000108.1A392 Q393 L396 Q416 S420A392-A418 HydrophobicContact CB-CB 4.47Å; Q393-A418 HydrophobicContact CG-CB 4.47Å; L396-A418 HydrophobicContact CB-CB 4.03Å; L396-A418 HydrophobicContact CD2-CB 3.88Å; Q416-A418 PolarHBondContact NE2-O 3.13Å; Q416-A418 VanDerWaalsContact OE1-CB 3.26Å; Q416-A418 PolarHBondContact OE1-O 2.82Å; A418-S420 PolarHBondContact O-N 3.44Å; A418-S420 VanDerWaalsContact O-N 3.16Å
419P63.6Low76.6Confident13 Ų1361.6 Ų61.68%0.08434%0.339CS..PPolyproline II helixtrans-47.1130.6176.6-23.833.8000108.2D228 E229 R230D228-P419 WeakPolarHBondContact OD1-CA 3.41Å; E229-P419 HydrophobicContact CG-CG 4.16Å; E229-P419 VanDerWaalsContact OE1-CD 3.31Å; E229-P419 WeakPolarHBondContact OE1-CD 3.32Å; R230-P419 HydrophobicContact CG-CG 4.38Å
420S53Low75.5Confident81 Ų8160.8 Ų60.857%0.56634%0.335SS*.PPolyproline II helixtrans-51.7133.7172.9-178.10000107.3A418A418-S420 PolarHBondContact O-N 3.44Å; A418-S420 VanDerWaalsContact O-N 3.16Å
421P41.2Very low74.4Confident70 Ų7056.5 Ų56.546%0.45531%0.314SS..  trans-470170.4-13.313.3000112.6L347 E348 S351L347-P421 WeakPolarHBondContact CA-OXT 3.42Å; L347-P421 HydrophobicContact CD2-CB 3.52Å; E348-P421 PolarHBondContact N-OXT 3.39Å; S351-P421 VanDerWaalsContact OG-CA 3.29Å; S351-P421 WeakPolarHBondContact OG-CA 3.45Å; S351-P421 WeakPolarHBondContact OG-CB 3.31Å

Retrieved 421 of 421 residues in 417.4 ms (Link to these results)

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