G4VRK3_SCHMA Loading...

Nucleolar protein 56

AlphaFold DB , UniProt , Accession G4VRK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 638 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
1M42.5Very low82.7Confident233 Ų23362.3 Ų62.3100%1.14835%0.352SS*.  098.30-67.6-77.8-161.500106.6T3M1-T3 PolarHBondContact O-N 3.44Å
2G57.6Low83.2Confident59 Ų5958.1 Ų58.161%0.60833%0.327SS*.  trans-58.8120.7173.900000108.1V4G2-V4 PolarHBondContact O-N 3.22Å; G2-V4 VanDerWaalsContact O-N 3.07Å
3T74Confident83.5Confident124 Ų12456.1 Ų56.176%0.76132%0.315SS*.  trans-70.7107-179.852.10000108M1 Q5M1-T3 PolarHBondContact O-N 3.44Å; T3-Q5 PolarHBondContact O-N 3.12Å
4V84.6Confident83.5Confident73 Ų7354.6 Ų54.644%0.44231%0.308SS..  trans-54.2127175.4179.10000109.1G2 V83G2-V4 PolarHBondContact O-N 3.22Å; G2-V4 VanDerWaalsContact O-N 3.07Å; V4-V83 HydrophobicContact CG1-CB 4.21Å; V4-V83 HydrophobicContact CG1-CG2 3.46Å; V4-V83 VanDerWaalsContact CG1-CG2 3.46Å
5Q89.1Confident83.9Confident79 Ų7950.9 Ų50.937%0.36929%0.287SS..EExtended strand (participates in β ladder)trans-86.3122.2179.2-61.2-167.823.100110.2T3 D81 C82 V83T3-Q5 PolarHBondContact O-N 3.12Å; Q5-D81 PolarHBondContact N-O 3.49Å; Q5-C82 WeakPolarHBondContact O-CA 3.49Å; Q5-V83 PolarHBondContact O-N 2.9Å
6H92.5Very high84.4Confident36 Ų3647.9 Ų47.917%0.16727%0.27CS..EExtended strand (participates in β ladder)trans-92.2107.9173.6-61.6-78.7000110.2F8 V21 F24H6-F8 HydrophobicContact CB-CE2 3.84Å; H6-F8 HydrophobicContact CB-CZ 4.47Å; H6-V21 PolarHBondContact O-N 3.2Å; H6-F24 HydrophobicContact CB-CB 4.23Å
7L94.1Very high84.8Confident5 Ų545.1 Ų45.13%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-101.6145.2172.7-65.8-176.6000109.7F19 R20 V42 V77 C82 V83 L84 G85L7-F19 CarbonylContact C-O 3.45Å; L7-F19 WeakPolarHBondContact CA-O 3.4Å; L7-R20 HydrophobicContact CD2-CB 3.62Å; L7-R20 HydrophobicContact CD2-CG 4Å; L7-V42 HydrophobicContact CD2-CG2 4.02Å; L7-V77 HydrophobicContact CD1-CB 4.48Å; L7-V77 HydrophobicContact CD1-CG1 4.18Å; L7-V77 HydrophobicContact CD1-CG2 4.23Å; L7-C82 VanDerWaalsContact CD1-SG 3.54Å; L7-V83 PolarHBondContact N-O 3.35Å; L7-L84 HydrophobicContact CB-CD1 4.13Å; L7-L84 CarbonylContact O-C 3.5Å; L7-L84 WeakPolarHBondContact O-CA 3.24Å; L7-G85 PolarHBondContact O-N 3.21Å
8F94.7Very high85.3Confident4 Ų442.6 Ų42.62%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-124.2123.6-179.8-70.1-97.4000109.1H6 L18 F19 V21 F24 V110 V113 L114 I117H6-F8 HydrophobicContact CB-CE2 3.84Å; H6-F8 HydrophobicContact CB-CZ 4.47Å; F8-L18 WeakPolarHBondContact O-CA 3.37Å; F8-F19 PolarHBondContact N-O 3.4Å; F8-F19 PolarHBondContact O-N 3.43Å; F8-V21 HydrophobicContact CD2-CB 4.05Å; F8-V21 HydrophobicContact CD2-CG2 3.4Å; F8-V21 VanDerWaalsContact CD2-CG2 3.4Å; F8-V21 HydrophobicContact CE2-CB 3.67Å; F8-V21 HydrophobicContact CE2-CG2 3.42Å; F8-V21 VanDerWaalsContact CE2-CG2 3.42Å; F8-V21 HydrophobicContact CG-CG2 4.36Å; F8-V21 HydrophobicContact CZ-CG2 4.39Å; F8-F24 HydrophobicContact CE1-CE2 4.09Å; F8-F24 HydrophobicContact CE2-CD2 4.2Å; F8-F24 HydrophobicContact CE2-CE2 4.46Å; F8-F24 AromaticContact CZ-CD2 3.59Å; F8-F24 HydrophobicContact CZ-CD2 3.59Å; F8-F24 AromaticContact CZ-CE2 3.45Å; F8-F24 HydrophobicContact CZ-CE2 3.45Å; F8-F24 VanDerWaalsContact CZ-CE2 3.45Å; F8-F24 HydrophobicContact CZ-CZ 4.28Å; F8-V110 HydrophobicContact CD1-CG1 3.89Å; F8-V110 HydrophobicContact CE1-CB 4.17Å; F8-V110 HydrophobicContact CE1-CG1 3.85Å; F8-V110 HydrophobicContact CE1-CG2 4.07Å; F8-V113 HydrophobicContact CD1-CB 4.19Å; F8-V113 HydrophobicContact CD1-CG1 3.78Å; F8-V113 HydrophobicContact CD2-CG1 4.1Å; F8-V113 HydrophobicContact CE1-CB 3.97Å; F8-V113 HydrophobicContact CE1-CG1 3.9Å; F8-V113 HydrophobicContact CE1-CG2 4.25Å; F8-V113 HydrophobicContact CE2-CG1 4.21Å; F8-V113 HydrophobicContact CG-CG1 3.9Å; F8-V113 HydrophobicContact CZ-CB 4.37Å; F8-V113 HydrophobicContact CZ-CG1 4.13Å; F8-V113 HydrophobicContact CZ-CG2 4.25Å; F8-L114 HydrophobicContact CB-CD2 4.4Å; F8-I117 HydrophobicContact CB-CD1 4.2Å
9L94.8Very high85.7Confident1 Ų140.3 Ų40.31%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-79.9120.9171.9179.764.9000108.9F16 L18 L69 F72 L73 L84 G85 I95 L114L9-F16 HydrophobicContact CD1-CB 4.38Å; L9-L18 HydrophobicContact CD1-CD2 4.42Å; L9-L69 HydrophobicContact CD1-CD1 3.86Å; L9-L69 HydrophobicContact CD2-CD1 3.97Å; L9-L69 HydrophobicContact CD2-CD2 4.2Å; L9-F72 HydrophobicContact CD1-CE1 4.25Å; L9-L73 HydrophobicContact CD1-CD2 4.35Å; L9-L84 HydrophobicContact CB-CD1 4.19Å; L9-G85 PolarHBondContact N-O 2.98Å; L9-I95 HydrophobicContact CD2-CD1 4.35Å; L9-L114 WeakPolarHBondContact O-CD2 3.29Å
10F94Very high86.1Confident11 Ų1142.8 Ų42.85%0.04823%0.233CC..EExtended strand (participates in β ladder)trans-113.7111.1174.3-173.9-103.7000110H12 G17 F19 L114 I117 R118 F121F10-H12 HydrophobicContact CD1-CB 4.04Å; F10-H12 HydrophobicContact CE1-CB 3.87Å; F10-H12 AromaticContact CE1-CD2 3.82Å; F10-H12 PolarHBondContact O-N 2.85Å; F10-G17 PolarHBondContact N-O 3.22Å; F10-G17 PolarHBondContact O-N 3.02Å; F10-F19 HydrophobicContact CB-CD2 3.77Å; F10-F19 HydrophobicContact CB-CE2 3.6Å; F10-F19 HydrophobicContact CD1-CE2 4.16Å; F10-F19 HydrophobicContact CG-CE2 4.09Å; F10-L114 HydrophobicContact CB-CD2 4.41Å; F10-L114 HydrophobicContact CD2-CD2 3.99Å; F10-I117 HydrophobicContact CB-CG2 4.21Å; F10-I117 HydrophobicContact CD1-CG2 4.14Å; F10-I117 HydrophobicContact CD2-CB 4.25Å; F10-I117 HydrophobicContact CD2-CG2 3.63Å; F10-I117 HydrophobicContact CE1-CG2 4.44Å; F10-I117 HydrophobicContact CE2-CB 4.48Å; F10-I117 HydrophobicContact CE2-CG2 3.98Å; F10-I117 HydrophobicContact CG-CG2 3.73Å; F10-I117 HydrophobicContact CZ-CG2 4.36Å; F10-R118 HydrophobicContact CE2-CB 3.97Å; F10-R118 HydrophobicContact CE2-CG 4.49Å; F10-R118 HydrophobicContact CZ-CB 4.1Å; F10-R118 HydrophobicContact CZ-CG 4.28Å; F10-F121 AromaticContact CD1-CD2 3.7Å; F10-F121 HydrophobicContact CD1-CD2 3.7Å; F10-F121 AromaticContact CD1-CE2 3.61Å; F10-F121 HydrophobicContact CD1-CE2 3.61Å; F10-F121 AromaticContact CE1-CD2 3.3Å; F10-F121 HydrophobicContact CE1-CD2 3.3Å; F10-F121 AromaticContact CE1-CE2 3.49Å; F10-F121 HydrophobicContact CE1-CE2 3.49Å; F10-F121 VanDerWaalsContact CE1-CE2 3.49Å; F10-F121 HydrophobicContact CE1-CG 4.03Å; F10-F121 HydrophobicContact CE1-CZ 4.37Å; F10-F121 HydrophobicContact CZ-CD2 4.16Å
11E91.7Very high86.3Confident60 Ų6041 Ų4128%0.2822%0.223SC..EExtended strand (participates in β ladder)trans-81.7112.1175.2-62.9152.3-149.700109.6F16 I60 L91E11-F16 HydrophobicContact CB-CD1 4.44Å; E11-F16 HydrophobicContact CG-CD1 4.19Å; E11-F16 HydrophobicContact CG-CE1 4.25Å; E11-I60 HydrophobicContact CB-CD1 4.45Å; E11-I60 HydrophobicContact CG-CD1 3.92Å; E11-I60 WeakPolarHBondContact OE2-CG2 3.38Å; E11-L91 WeakPolarHBondContact OE1-CD2 3.37Å
12H89.1Confident88.6Confident12 Ų1234.2 Ų34.26%0.05619%0.187CC..EExtended strand (participates in β ladder)trans-112.5156.5178.5-168.9-108.4000110.8F10 T14 G15 F44 F121 E161 R165F10-H12 HydrophobicContact CD1-CB 4.04Å; F10-H12 HydrophobicContact CE1-CB 3.87Å; F10-H12 AromaticContact CE1-CD2 3.82Å; F10-H12 PolarHBondContact O-N 2.85Å; H12-T14 PolarHBondContact ND1-N 3.01Å; H12-T14 PolarHBondContact ND1-OG1 3.48Å; H12-T14 PolarHBondContact O-N 3.25Å; H12-T14 VanDerWaalsContact O-N 3.15Å; H12-G15 CarbonylContact C-O 3.54Å; H12-G15 VanDerWaalsContact CA-O 3.31Å; H12-G15 WeakPolarHBondContact CA-O 3.27Å; H12-G15 WeakPolarHBondContact CB-O 3.3Å; H12-G15 PolarHBondContact N-O 2.84Å; H12-G15 PolarHBondContact O-N 2.95Å; H12-F44 HydrophobicContact CB-CE2 4.28Å; H12-F44 HydrophobicContact CB-CZ 4.28Å; H12-F121 HydrophobicContact CB-CE2 4.23Å; H12-F121 HydrophobicContact CB-CZ 3.97Å; H12-F121 AromaticContact CD2-CE1 3.72Å; H12-F121 AromaticContact CD2-CZ 3.83Å; H12-F121 AromaticContact CE1-CE1 3.45Å; H12-F121 VanDerWaalsContact CE1-CE1 3.45Å; H12-F121 WeakPolarHBondContact CE1-CE1 3.34Å; H12-F121 AromaticContact CE1-CZ 3.94Å; H12-F121 AromaticContact CG-CE1 3.74Å; H12-F121 AromaticContact CG-CZ 3.49Å; H12-F121 VanDerWaalsContact CG-CZ 3.49Å; H12-F121 AromaticContact ND1-CE1 3.59Å; H12-F121 AromaticContact ND1-CZ 3.58Å; H12-F121 AromaticContact NE2-CD1 3.89Å; H12-F121 AromaticContact NE2-CE1 3.59Å; H12-E161 IonicContact CE1-OE1 3.83Å; H12-E161 IonicContact NE2-OE1 3.13Å; H12-E161 PolarHBondContact NE2-OE1 3.28Å; H12-R165 PolarHBondContact NE2-NH2 2.93Å
13I86.5Confident89.9Confident32 Ų3237.7 Ų37.716%0.16419%0.188CC..THydrogen-bonded Turntrans-62.5-26.5-179.6-160.968.7000112.9F47 V57 A164 R165 V168I13-F47 VanDerWaalsContact O-CD2 3.28Å; I13-F47 WeakPolarHBondContact O-CD2 3.42Å; I13-F47 WeakPolarHBondContact O-CE2 3.33Å; I13-V57 HydrophobicContact CD1-CG2 4.07Å; I13-A164 HydrophobicContact CG2-CB 4.25Å; I13-R165 HydrophobicContact CB-CG 4.17Å; I13-R165 HydrophobicContact CG1-CG 4.45Å; I13-R165 HydrophobicContact CG2-CG 3.63Å; I13-V168 HydrophobicContact CD1-CB 3.63Å; I13-V168 HydrophobicContact CD1-CG1 3.41Å; I13-V168 VanDerWaalsContact CD1-CG1 3.41Å; I13-V168 HydrophobicContact CD1-CG2 4.34Å; I13-V168 HydrophobicContact CG1-CB 3.79Å; I13-V168 HydrophobicContact CG1-CG1 4.05Å; I13-V168 HydrophobicContact CG1-CG2 4.04Å
14T84.4Confident90.4Very high35 Ų3532.7 Ų32.722%0.21516%0.155CC..THydrogen-bonded Turntrans-91.3-8.7179.762.70000112.7H12 F44 H46 F47 A164H12-T14 PolarHBondContact ND1-N 3.01Å; H12-T14 PolarHBondContact ND1-OG1 3.48Å; H12-T14 PolarHBondContact O-N 3.25Å; H12-T14 VanDerWaalsContact O-N 3.15Å; T14-F44 WeakPolarHBondContact OG1-CZ 3.21Å; T14-H46 CarbonylContact O-C 3.58Å; T14-H46 WeakPolarHBondContact O-CA 3.49Å; T14-F47 PolarHBondContact O-N 3.07Å; T14-A164 HydrophobicContact CG2-CB 4.26Å
15G88.7Confident90.3Very high0 Ų034.2 Ų34.20%016%0.161CC..EExtended strand (participates in β ladder)trans156.8-172.1-172.600000115.5H12 V45 F47H12-G15 CarbonylContact C-O 3.54Å; H12-G15 VanDerWaalsContact CA-O 3.31Å; H12-G15 WeakPolarHBondContact CA-O 3.27Å; H12-G15 WeakPolarHBondContact CB-O 3.3Å; H12-G15 PolarHBondContact N-O 2.84Å; H12-G15 PolarHBondContact O-N 2.95Å; G15-V45 CarbonylContact C-O 3.57Å; G15-V45 WeakPolarHBondContact CA-O 3.19Å; G15-F47 VanDerWaalsContact N-CE2 3.3Å
16F91.9Very high90Very high2 Ų236.5 Ų36.51%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-105.2131.4177.1-54.3-51.1000111.2L9 E11 F44 V45 F47 N56 I60 L68 L69 F72L9-F16 HydrophobicContact CD1-CB 4.38Å; E11-F16 HydrophobicContact CB-CD1 4.44Å; E11-F16 HydrophobicContact CG-CD1 4.19Å; E11-F16 HydrophobicContact CG-CE1 4.25Å; F16-F44 CarbonylContact O-C 3.57Å; F16-F44 VanDerWaalsContact O-CA 3.32Å; F16-F44 WeakPolarHBondContact O-CA 3.37Å; F16-V45 HydrophobicContact CB-CG1 3.77Å; F16-V45 HydrophobicContact CD2-CG1 4.04Å; F16-V45 HydrophobicContact CG-CG1 4.35Å; F16-V45 PolarHBondContact N-O 3.28Å; F16-V45 PolarHBondContact O-N 3.44Å; F16-F47 HydrophobicContact CD1-CZ 4.47Å; F16-F47 HydrophobicContact CD2-CE1 4.35Å; F16-F47 HydrophobicContact CE1-CE1 4.36Å; F16-F47 AromaticContact CE1-CZ 3.87Å; F16-F47 HydrophobicContact CE1-CZ 3.87Å; F16-F47 AromaticContact CE2-CE1 3.84Å; F16-F47 HydrophobicContact CE2-CE1 3.84Å; F16-F47 HydrophobicContact CE2-CZ 4.18Å; F16-F47 AromaticContact CZ-CE1 3.84Å; F16-F47 HydrophobicContact CZ-CE1 3.84Å; F16-F47 AromaticContact CZ-CZ 3.73Å; F16-F47 HydrophobicContact CZ-CZ 3.73Å; F16-N56 HydrophobicContact CZ-CB 4.09Å; F16-I60 HydrophobicContact CD1-CD1 4.29Å; F16-I60 HydrophobicContact CE1-CD1 3.15Å; F16-I60 HydrophobicContact CZ-CD1 3.42Å; F16-I60 VanDerWaalsContact CZ-CD1 3.42Å; F16-L68 HydrophobicContact CD2-CD2 3.42Å; F16-L68 VanDerWaalsContact CD2-CD2 3.42Å; F16-L68 HydrophobicContact CE2-CD2 3.48Å; F16-L68 VanDerWaalsContact CE2-CD2 3.48Å; F16-L69 HydrophobicContact CB-CD1 4.36Å; F16-L69 HydrophobicContact CD1-CD1 4.39Å; F16-L69 HydrophobicContact CD2-CB 4.07Å; F16-L69 HydrophobicContact CD2-CD1 3.79Å; F16-L69 HydrophobicContact CD2-CG 4.46Å; F16-L69 HydrophobicContact CE2-CB 3.68Å; F16-L69 HydrophobicContact CE2-CD1 4.16Å; F16-L69 HydrophobicContact CE2-CG 4.36Å; F16-L69 HydrophobicContact CG-CD1 3.91Å; F16-L69 HydrophobicContact CZ-CB 4.26Å; F16-F72 HydrophobicContact CB-CD1 3.8Å; F16-F72 HydrophobicContact CB-CE1 3.68Å; F16-F72 HydrophobicContact CB-CZ 4.36Å; F16-F72 WeakPolarHBondContact O-CZ 3.49Å
17G91.5Very high89.4Confident0 Ų035.5 Ų35.50%017%0.167CC..EExtended strand (participates in β ladder)trans-113.2142.5174.900000111.9F10 A43F10-G17 PolarHBondContact N-O 3.22Å; F10-G17 PolarHBondContact O-N 3.02Å; G17-A43 CarbonylContact C-O 3.23Å; G17-A43 WeakPolarHBondContact CA-O 3.39Å
18L93.5Very high88.7Confident0 Ų037.1 Ų37.10%018%0.177CC..EExtended strand (participates in β ladder)trans-112128.5168.1-80.4164000109.4F8 L9 V42 A43 F72 L73 N76 V77 L84F8-L18 WeakPolarHBondContact O-CA 3.37Å; L9-L18 HydrophobicContact CD1-CD2 4.42Å; L18-V42 HydrophobicContact CB-CB 4.28Å; L18-V42 WeakPolarHBondContact O-CB 3.5Å; L18-V42 PolarHBondContact O-N 3.39Å; L18-A43 PolarHBondContact N-O 3.17Å; L18-A43 PolarHBondContact O-N 3.24Å; L18-F72 HydrophobicContact CB-CE1 4.49Å; L18-F72 HydrophobicContact CB-CZ 4.29Å; L18-F72 HydrophobicContact CD1-CD1 4.29Å; L18-F72 HydrophobicContact CD1-CE1 3.62Å; L18-F72 HydrophobicContact CD1-CE2 4.5Å; L18-F72 HydrophobicContact CD1-CZ 3.73Å; L18-F72 HydrophobicContact CG-CE1 3.61Å; L18-F72 HydrophobicContact CG-CZ 3.84Å; L18-L73 HydrophobicContact CD2-CD2 4.47Å; L18-N76 HydrophobicContact CD1-CB 3.43Å; L18-N76 VanDerWaalsContact CD1-CB 3.43Å; L18-V77 HydrophobicContact CD1-CG2 3.9Å; L18-V77 HydrophobicContact CD2-CG2 4.17Å; L18-L84 HydrophobicContact CD2-CD1 3.83Å
19F93.5Very high88Confident0 Ų047.1 Ų47.10%022%0.215CC..EExtended strand (participates in β ladder)trans-123.7130180-64.7-88.5000110L7 F8 F10 I39 P41 I117 F121 L124 T125L7-F19 CarbonylContact C-O 3.45Å; L7-F19 WeakPolarHBondContact CA-O 3.4Å; F8-F19 PolarHBondContact N-O 3.4Å; F8-F19 PolarHBondContact O-N 3.43Å; F10-F19 HydrophobicContact CB-CD2 3.77Å; F10-F19 HydrophobicContact CB-CE2 3.6Å; F10-F19 HydrophobicContact CD1-CE2 4.16Å; F10-F19 HydrophobicContact CG-CE2 4.09Å; F19-I39 HydrophobicContact CB-CG2 3.91Å; F19-I39 HydrophobicContact CD1-CG2 3.84Å; F19-I39 HydrophobicContact CG-CG2 4.22Å; F19-P41 HydrophobicContact CD1-CB 4.09Å; F19-P41 HydrophobicContact CE1-CB 3.93Å; F19-I117 HydrophobicContact CB-CD1 3.8Å; F19-I117 HydrophobicContact CD2-CD1 4Å; F19-I117 HydrophobicContact CD2-CG2 3.88Å; F19-I117 HydrophobicContact CE1-CG2 4.37Å; F19-I117 HydrophobicContact CE2-CG2 3.67Å; F19-I117 HydrophobicContact CG-CD1 3.94Å; F19-I117 HydrophobicContact CG-CG1 4.42Å; F19-I117 HydrophobicContact CG-CG2 4.31Å; F19-I117 HydrophobicContact CZ-CG2 3.93Å; F19-F121 HydrophobicContact CZ-CD2 4.23Å; F19-F121 HydrophobicContact CZ-CE2 4.22Å; F19-L124 HydrophobicContact CE1-CB 3.95Å; F19-L124 HydrophobicContact CE1-CD1 4.3Å; F19-T125 HydrophobicContact CE1-CG2 4.23Å; F19-T125 HydrophobicContact CZ-CG2 3.78Å
20R92.9Very high87.2Confident90 Ų9049.9 Ų49.934%0.3423%0.234SC..EExtended strand (participates in β ladder)trans-91.9131173.5-176.3172.360.6177.7-3.7109.8L7 K40 V42L7-R20 HydrophobicContact CD2-CB 3.62Å; L7-R20 HydrophobicContact CD2-CG 4Å; R20-K40 PolarHBondContact N-O 2.85Å; R20-K40 PolarHBondContact O-N 3.02Å; R20-V42 HydrophobicContact CB-CG2 3.65Å
21V91.7Very high86.5Confident5 Ų553.3 Ų53.33%0.0325%0.25CC..EExtended strand (participates in β ladder)trans-105.4125.9173.2178.20000109.1H6 F8 F24 I27 F38 I39 V113H6-V21 PolarHBondContact O-N 3.2Å; F8-V21 HydrophobicContact CD2-CB 4.05Å; F8-V21 HydrophobicContact CD2-CG2 3.4Å; F8-V21 VanDerWaalsContact CD2-CG2 3.4Å; F8-V21 HydrophobicContact CE2-CB 3.67Å; F8-V21 HydrophobicContact CE2-CG2 3.42Å; F8-V21 VanDerWaalsContact CE2-CG2 3.42Å; F8-V21 HydrophobicContact CG-CG2 4.36Å; F8-V21 HydrophobicContact CZ-CG2 4.39Å; V21-F24 HydrophobicContact CG1-CB 4.45Å; V21-I27 HydrophobicContact CG1-CD1 3.91Å; V21-F38 WeakPolarHBondContact CA-O 3.44Å; V21-F38 HydrophobicContact CG1-CD2 4.36Å; V21-I39 HydrophobicContact CG2-CG1 4.48Å; V21-V113 HydrophobicContact CG2-CG1 3.67Å
22K89.2Confident85.9Confident91 Ų9159.7 Ų59.740%0.39628%0.276SS..SBendtrans-80.1144.6168.9-65.8-179.4161.7-161.60109.3F24 I27 F38K22-F24 PolarHBondContact O-N 3.43Å; K22-I27 WeakPolarHBondContact O-CD1 3.42Å; K22-F38 PolarHBondContact N-O 3.45Å
23E84.5Confident85.3Confident132 Ų13261.8 Ų61.862%0.61730%0.296SS*.SBendtrans52.649.4169.4-65157.6-165.800114D25 E26 I27E23-D25 VanDerWaalsContact C-N 3.28Å; E23-D25 PolarHBondContact O-N 3.12Å; E23-E26 HydrophobicContact CB-CB 4.42Å; E23-E26 PolarHBondContact O-N 3.09Å; E23-E26 VanDerWaalsContact O-N 3.09Å; E23-I27 WeakPolarHBondContact O-CD1 3.46Å; E23-I27 PolarHBondContact O-N 3.49Å
24F84.9Confident85.2Confident19 Ų1964.6 Ų64.68%0.08331%0.308CS..Hα-helixtrans-51.5-41.9-174.7174.8-111.8000113.8H6 F8 V21 K22 E26 T28 V113H6-F24 HydrophobicContact CB-CB 4.23Å; F8-F24 HydrophobicContact CE1-CE2 4.09Å; F8-F24 HydrophobicContact CE2-CD2 4.2Å; F8-F24 HydrophobicContact CE2-CE2 4.46Å; F8-F24 AromaticContact CZ-CD2 3.59Å; F8-F24 HydrophobicContact CZ-CD2 3.59Å; F8-F24 AromaticContact CZ-CE2 3.45Å; F8-F24 HydrophobicContact CZ-CE2 3.45Å; F8-F24 VanDerWaalsContact CZ-CE2 3.45Å; F8-F24 HydrophobicContact CZ-CZ 4.28Å; V21-F24 HydrophobicContact CG1-CB 4.45Å; K22-F24 PolarHBondContact O-N 3.43Å; F24-E26 VanDerWaalsContact C-N 3.34Å; F24-E26 PolarHBondContact O-N 3.28Å; F24-T28 HydrophobicContact CD2-CG2 3.89Å; F24-T28 HydrophobicContact CE2-CG2 3.55Å; F24-T28 HydrophobicContact CZ-CG2 3.92Å; F24-T28 WeakPolarHBondContact O-CB 3.19Å; F24-T28 WeakPolarHBondContact O-CG2 3.38Å; F24-T28 PolarHBondContact O-N 3.06Å; F24-T28 PolarHBondContact O-OG1 2.75Å; F24-V113 HydrophobicContact CD2-CG2 4.25Å; F24-V113 HydrophobicContact CE2-CG2 3.96Å
25D83.7Confident85.2Confident104 Ų10463.9 Ų63.956%0.55630%0.304SS*.Hα-helixtrans-68.8-28-178-66.1-21.7000113.8E23 T28 R29E23-D25 VanDerWaalsContact C-N 3.28Å; E23-D25 PolarHBondContact O-N 3.12Å; D25-T28 PolarHBondContact O-OG1 3.32Å; D25-R29 WeakPolarHBondContact O-CG 3.43Å
26E82.1Confident85Confident128 Ų12867.5 Ų67.560%0.59832%0.323SS*.Hα-helixtrans-82.5-41.4180-63.7-172.3-177.400111.5E23 F24 R29 S30E23-E26 HydrophobicContact CB-CB 4.42Å; E23-E26 PolarHBondContact O-N 3.09Å; E23-E26 VanDerWaalsContact O-N 3.09Å; F24-E26 VanDerWaalsContact C-N 3.34Å; F24-E26 PolarHBondContact O-N 3.28Å; E26-R29 WeakPolarHBondContact O-CB 3.44Å; E26-R29 PolarHBondContact O-N 2.97Å; E26-R29 VanDerWaalsContact O-N 3.17Å; E26-S30 PolarHBondContact O-N 3.41Å; E26-S30 VanDerWaalsContact O-N 3.11Å
27I80.4Confident84.7Confident14 Ų1470.5 Ų70.57%0.07235%0.348CS..Hα-helixtrans-69.3-38.1-177.5-68.2150.9000111.4V21 K22 E23 R29 S30 F31 F38V21-I27 HydrophobicContact CG1-CD1 3.91Å; K22-I27 WeakPolarHBondContact O-CD1 3.42Å; E23-I27 WeakPolarHBondContact O-CD1 3.46Å; E23-I27 PolarHBondContact O-N 3.49Å; I27-R29 PolarHBondContact O-N 3.02Å; I27-S30 CarbonylContact O-C 3.29Å; I27-S30 VanDerWaalsContact O-C 3.29Å; I27-S30 PolarHBondContact O-N 2.97Å; I27-S30 VanDerWaalsContact O-N 3.09Å; I27-F31 HydrophobicContact CG2-CD1 3.72Å; I27-F31 HydrophobicContact CG2-CE1 3.58Å; I27-F31 HydrophobicContact CG2-CZ 4.26Å; I27-F31 WeakPolarHBondContact O-CD2 3.4Å; I27-F31 WeakPolarHBondContact O-CE2 3.31Å; I27-F31 PolarHBondContact O-N 3.42Å; I27-F38 HydrophobicContact CD1-CB 3.23Å; I27-F38 HydrophobicContact CD1-CD1 4.43Å; I27-F38 HydrophobicContact CD1-CD2 3.63Å; I27-F38 HydrophobicContact CD1-CG 3.55Å; I27-F38 HydrophobicContact CG1-CB 4.12Å; I27-F38 HydrophobicContact CG1-CD2 4.26Å; I27-F38 HydrophobicContact CG1-CG 4.11Å; I27-F38 HydrophobicContact CG2-CD2 3.88Å; I27-F38 HydrophobicContact CG2-CE2 3.71Å; I27-F38 HydrophobicContact CG2-CG 4.4Å; I27-F38 HydrophobicContact CG2-CZ 4.1Å
28T78.1Confident84.5Confident39 Ų3971 Ų7124%0.23935%0.351CS..THydrogen-bonded Turntrans-63.1-20.8176.651.40000112.3F24 D25F24-T28 HydrophobicContact CD2-CG2 3.89Å; F24-T28 HydrophobicContact CE2-CG2 3.55Å; F24-T28 HydrophobicContact CZ-CG2 3.92Å; F24-T28 WeakPolarHBondContact O-CB 3.19Å; F24-T28 WeakPolarHBondContact O-CG2 3.38Å; F24-T28 PolarHBondContact O-N 3.06Å; F24-T28 PolarHBondContact O-OG1 2.75Å; D25-T28 PolarHBondContact O-OG1 3.32Å
29R81.2Confident84.4Confident215 Ų21571.1 Ų71.181%0.81135%0.351SS*.THydrogen-bonded Turntrans-86.5-34.3171.4-62.5173.8-174-178.82.3113.1D25 E26 I27D25-R29 WeakPolarHBondContact O-CG 3.43Å; E26-R29 WeakPolarHBondContact O-CB 3.44Å; E26-R29 PolarHBondContact O-N 2.97Å; E26-R29 VanDerWaalsContact O-N 3.17Å; I27-R29 PolarHBondContact O-N 3.02Å
30S78.3Confident84.2Confident58 Ų5875.1 Ų75.141%0.40637%0.369SS..  trans-14696-174.6174.10000113.2E26 I27 K32E26-S30 PolarHBondContact O-N 3.41Å; E26-S30 VanDerWaalsContact O-N 3.11Å; I27-S30 CarbonylContact O-C 3.29Å; I27-S30 VanDerWaalsContact O-C 3.29Å; I27-S30 PolarHBondContact O-N 2.97Å; I27-S30 VanDerWaalsContact O-N 3.09Å; S30-K32 PolarHBondContact O-N 3.28Å
31F78.2Confident84.1Confident84 Ų8472.6 Ų72.637%0.36836%0.364SS..THydrogen-bonded Turntrans-79.146.1175.4-69.9-86.2000113.9I27 E112 V116I27-F31 HydrophobicContact CG2-CD1 3.72Å; I27-F31 HydrophobicContact CG2-CE1 3.58Å; I27-F31 HydrophobicContact CG2-CZ 4.26Å; I27-F31 WeakPolarHBondContact O-CD2 3.4Å; I27-F31 WeakPolarHBondContact O-CE2 3.31Å; I27-F31 PolarHBondContact O-N 3.42Å; F31-E112 HydrophobicContact CE2-CB 4.08Å; F31-E112 HydrophobicContact CZ-CB 3.71Å; F31-V116 HydrophobicContact CD1-CG2 3.98Å; F31-V116 HydrophobicContact CE1-CG2 4.03Å
32K78.8Confident84Confident193 Ų19375.3 Ų75.384%0.83938%0.38SS*.THydrogen-bonded Turntrans-87-24.7-179.6-69.3-178.3-178.1178.50113.7S30S30-K32 PolarHBondContact O-N 3.28Å
33A78.2Confident84Confident57 Ų5771.5 Ų71.547%0.47137%0.366SS..SBendtrans-76.5155.5-176.200000112.5F38A33-F38 HydrophobicContact CB-CD1 4.11Å; A33-F38 HydrophobicContact CB-CE1 4.27Å
34H84.1Confident84.2Confident91 Ų9166.5 Ų66.542%0.42134%0.342SS..  trans-65.7139.4173.1-172-74.4000110.3N36 A37 F38 R123H34-N36 VanDerWaalsContact C-N 3.3Å; H34-N36 PolarHBondContact ND1-N 2.92Å; H34-N36 PolarHBondContact O-N 3.14Å; H34-N36 VanDerWaalsContact O-N 3.14Å; H34-A37 VanDerWaalsContact O-CB 3.23Å; H34-A37 WeakPolarHBondContact O-CB 3.32Å; H34-A37 PolarHBondContact O-N 2.95Å; H34-F38 WeakPolarHBondContact O-CD1 3.17Å; H34-F38 WeakPolarHBondContact O-CE1 3.37Å; H34-R123 PolarHBondContact CE1-NH1 2.91Å; H34-R123 PolarHBondContact CE1-NH2 2.8Å; H34-R123 PolarHBondContact NE2-NH1 3.36Å; H34-R123 PolarHBondContact NE2-NH2 3.45Å
35P83.8Confident84.4Confident19 Ų1967.5 Ų67.512%0.12335%0.349CS..Hα-helixtrans-52.9-41.2-173.717.9-33.7000114.3A37 F38 I39 V116 S120P35-A37 PolarHBondContact O-N 3.42Å; P35-A37 VanDerWaalsContact O-N 3.15Å; P35-F38 PolarHBondContact O-N 3.32Å; P35-I39 WeakPolarHBondContact O-CB 3.13Å; P35-I39 PolarHBondContact O-N 3.01Å; P35-V116 HydrophobicContact CB-CG1 3.9Å; P35-S120 WeakPolarHBondContact CG-OG 3.44Å
36N84.3Confident84.5Confident77 Ų7764.7 Ų64.741%0.41233%0.333SS..Hα-helixtrans-62.1-18.5177.9-63.53000114.7H34 L124H34-N36 VanDerWaalsContact C-N 3.3Å; H34-N36 PolarHBondContact ND1-N 2.92Å; H34-N36 PolarHBondContact O-N 3.14Å; H34-N36 VanDerWaalsContact O-N 3.14Å; N36-L124 WeakPolarHBondContact OD1-CD2 3.29Å
37A85.8Confident84.8Confident64 Ų6459.7 Ų59.753%0.52931%0.309SS..Hα-helixtrans-70.9-39.1179.800000111.2H34 P35H34-A37 VanDerWaalsContact O-CB 3.23Å; H34-A37 WeakPolarHBondContact O-CB 3.32Å; H34-A37 PolarHBondContact O-N 2.95Å; P35-A37 PolarHBondContact O-N 3.42Å; P35-A37 VanDerWaalsContact O-N 3.15Å
38F88.3Confident85.1Confident12 Ų1267.7 Ų67.75%0.05334%0.344CS..Hα-helixtrans-112-26.4-174.258.7-87.9000114.7V21 K22 I27 A33 H34 P35 V116V21-F38 WeakPolarHBondContact CA-O 3.44Å; V21-F38 HydrophobicContact CG1-CD2 4.36Å; K22-F38 PolarHBondContact N-O 3.45Å; I27-F38 HydrophobicContact CD1-CB 3.23Å; I27-F38 HydrophobicContact CD1-CD1 4.43Å; I27-F38 HydrophobicContact CD1-CD2 3.63Å; I27-F38 HydrophobicContact CD1-CG 3.55Å; I27-F38 HydrophobicContact CG1-CB 4.12Å; I27-F38 HydrophobicContact CG1-CD2 4.26Å; I27-F38 HydrophobicContact CG1-CG 4.11Å; I27-F38 HydrophobicContact CG2-CD2 3.88Å; I27-F38 HydrophobicContact CG2-CE2 3.71Å; I27-F38 HydrophobicContact CG2-CG 4.4Å; I27-F38 HydrophobicContact CG2-CZ 4.1Å; A33-F38 HydrophobicContact CB-CD1 4.11Å; A33-F38 HydrophobicContact CB-CE1 4.27Å; H34-F38 WeakPolarHBondContact O-CD1 3.17Å; H34-F38 WeakPolarHBondContact O-CE1 3.37Å; P35-F38 PolarHBondContact O-N 3.32Å; F38-V116 HydrophobicContact CE2-CG1 4.38Å; F38-V116 HydrophobicContact CZ-CG1 4.04Å
39I90.7Very high85.5Confident2 Ų268.5 Ų68.51%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-98.1120178-48.6-172.1000109.5F19 V21 P35 V116 I117 L124F19-I39 HydrophobicContact CB-CG2 3.91Å; F19-I39 HydrophobicContact CD1-CG2 3.84Å; F19-I39 HydrophobicContact CG-CG2 4.22Å; V21-I39 HydrophobicContact CG2-CG1 4.48Å; P35-I39 WeakPolarHBondContact O-CB 3.13Å; P35-I39 PolarHBondContact O-N 3.01Å; I39-V116 HydrophobicContact CD1-CB 4.26Å; I39-V116 HydrophobicContact CD1-CG1 3.75Å; I39-I117 HydrophobicContact CD1-CG1 3.7Å; I39-I117 HydrophobicContact CG2-CD1 4.49Å; I39-I117 HydrophobicContact CG2-CG1 4.15Å; I39-L124 HydrophobicContact CB-CD1 4.49Å; I39-L124 HydrophobicContact CB-CD2 4.21Å; I39-L124 HydrophobicContact CD1-CD1 4.49Å; I39-L124 HydrophobicContact CG2-CD1 4.05Å; I39-L124 HydrophobicContact CG2-CD2 4.28Å
40K89.8Confident85.9Confident84 Ų8460.1 Ų60.137%0.36532%0.324SS..EExtended strand (participates in β ladder)trans-114.6123.6172.8-68.7-169.2172.4-167.40110.6R20 V42R20-K40 PolarHBondContact N-O 2.85Å; R20-K40 PolarHBondContact O-N 3.02Å; K40-V42 PolarHBondContact O-N 3.24Å
41P89.8Confident86.4Confident37 Ų3762.4 Ų62.424%0.2433%0.328CS..EExtended strand (participates in β ladder)trans-65.5132.6172.432.1-38.1000109.8F19 L124 L128F19-P41 HydrophobicContact CD1-CB 4.09Å; F19-P41 HydrophobicContact CE1-CB 3.93Å; P41-L124 WeakPolarHBondContact CG-O 3.3Å; P41-L128 HydrophobicContact CB-CD1 3.54Å; P41-L128 HydrophobicContact CB-CG 3.93Å; P41-L128 HydrophobicContact CG-CG 4.47Å
42V89.6Confident87Confident62 Ų6260.2 Ų60.238%0.37632%0.318SS..EExtended strand (participates in β ladder)trans-104.9-57.3-178.6178.70000110.6L7 L18 R20 K40L7-V42 HydrophobicContact CD2-CG2 4.02Å; L18-V42 HydrophobicContact CB-CB 4.28Å; L18-V42 WeakPolarHBondContact O-CB 3.5Å; L18-V42 PolarHBondContact O-N 3.39Å; R20-V42 HydrophobicContact CB-CG2 3.65Å; K40-V42 PolarHBondContact O-N 3.24Å
43A89.9Confident87.6Confident11 Ų1151.2 Ų51.29%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-147150.4-177.600000110.4G17 L18 F72 N76G17-A43 CarbonylContact C-O 3.23Å; G17-A43 WeakPolarHBondContact CA-O 3.39Å; L18-A43 PolarHBondContact N-O 3.17Å; L18-A43 PolarHBondContact O-N 3.24Å; A43-F72 HydrophobicContact CB-CE2 3.9Å; A43-F72 HydrophobicContact CB-CZ 4.09Å; A43-N76 HydrophobicContact CB-CB 4.11Å; A43-N76 VanDerWaalsContact CB-OD1 3.27Å; A43-N76 WeakPolarHBondContact CB-OD1 3.47Å
44F88.8Confident88.2Confident26 Ų2648.5 Ų48.511%0.11426%0.258CS..EExtended strand (participates in β ladder)trans-140.9127.6172.4-165.8-83.1000109.2H12 T14 F16 H46 F121 L128H12-F44 HydrophobicContact CB-CE2 4.28Å; H12-F44 HydrophobicContact CB-CZ 4.28Å; T14-F44 WeakPolarHBondContact OG1-CZ 3.21Å; F16-F44 CarbonylContact O-C 3.57Å; F16-F44 VanDerWaalsContact O-CA 3.32Å; F16-F44 WeakPolarHBondContact O-CA 3.37Å; F44-H46 AromaticContact CD1-CD2 3.59Å; F44-H46 AromaticContact CD1-CE1 3.42Å; F44-H46 VanDerWaalsContact CD1-CE1 3.42Å; F44-H46 WeakPolarHBondContact CD1-CE1 3.21Å; F44-H46 AromaticContact CD1-CG 3.84Å; F44-H46 AromaticContact CD1-ND1 3.72Å; F44-H46 AromaticContact CD1-NE2 3.32Å; F44-H46 VanDerWaalsContact CD1-NE2 3.32Å; F44-H46 WeakPolarHBondContact CD1-NE2 3.34Å; F44-H46 AromaticContact CE1-CD2 3.23Å; F44-H46 WeakPolarHBondContact CE1-CD2 3.38Å; F44-H46 AromaticContact CE1-CE1 3.9Å; F44-H46 AromaticContact CE1-CG 3.75Å; F44-H46 AromaticContact CE1-NE2 3.35Å; F44-H46 VanDerWaalsContact CE1-NE2 3.35Å; F44-H46 WeakPolarHBondContact CE1-NE2 3.19Å; F44-F121 HydrophobicContact CD2-CZ 4.47Å; F44-F121 AromaticContact CE2-CE2 3.91Å; F44-F121 HydrophobicContact CE2-CE2 3.91Å; F44-F121 AromaticContact CE2-CZ 3.62Å; F44-F121 HydrophobicContact CE2-CZ 3.62Å; F44-F121 HydrophobicContact CZ-CZ 4.09Å; F44-L128 HydrophobicContact CB-CB 4.07Å; F44-L128 HydrophobicContact CB-CD1 3.83Å
45V88.3Confident88.6Confident40 Ų4049.1 Ų49.124%0.24226%0.261CS..EExtended strand (participates in β ladder)trans-109.4126.4172.561.50000108.9G15 F16 L68 F72G15-V45 CarbonylContact C-O 3.57Å; G15-V45 WeakPolarHBondContact CA-O 3.19Å; F16-V45 HydrophobicContact CB-CG1 3.77Å; F16-V45 HydrophobicContact CD2-CG1 4.04Å; F16-V45 HydrophobicContact CG-CG1 4.35Å; F16-V45 PolarHBondContact N-O 3.28Å; F16-V45 PolarHBondContact O-N 3.44Å; V45-L68 HydrophobicContact CG1-CD2 3.77Å; V45-L68 HydrophobicContact CG2-CD2 4.13Å; V45-F72 HydrophobicContact CB-CD2 3.67Å; V45-F72 HydrophobicContact CB-CE2 3.89Å; V45-F72 HydrophobicContact CB-CG 4.4Å; V45-F72 HydrophobicContact CG1-CB 4.13Å; V45-F72 HydrophobicContact CG1-CD1 4.17Å; V45-F72 HydrophobicContact CG1-CD2 3.37Å; V45-F72 HydrophobicContact CG1-CE1 4.42Å; V45-F72 HydrophobicContact CG1-CE2 3.71Å; V45-F72 HydrophobicContact CG1-CG 3.64Å; V45-F72 HydrophobicContact CG1-CZ 4.22Å
46H86.6Confident89Confident45 Ų4548.7 Ų48.721%0.20826%0.258CS..EExtended strand (participates in β ladder)trans-90.1145.8178.1-61.593000110.9T14 F44 P132T14-H46 CarbonylContact O-C 3.58Å; T14-H46 WeakPolarHBondContact O-CA 3.49Å; F44-H46 AromaticContact CD1-CD2 3.59Å; F44-H46 AromaticContact CD1-CE1 3.42Å; F44-H46 VanDerWaalsContact CD1-CE1 3.42Å; F44-H46 WeakPolarHBondContact CD1-CE1 3.21Å; F44-H46 AromaticContact CD1-CG 3.84Å; F44-H46 AromaticContact CD1-ND1 3.72Å; F44-H46 AromaticContact CD1-NE2 3.32Å; F44-H46 VanDerWaalsContact CD1-NE2 3.32Å; F44-H46 WeakPolarHBondContact CD1-NE2 3.34Å; F44-H46 AromaticContact CE1-CD2 3.23Å; F44-H46 WeakPolarHBondContact CE1-CD2 3.38Å; F44-H46 AromaticContact CE1-CE1 3.9Å; F44-H46 AromaticContact CE1-CG 3.75Å; F44-H46 AromaticContact CE1-NE2 3.35Å; F44-H46 VanDerWaalsContact CE1-NE2 3.35Å; F44-H46 WeakPolarHBondContact CE1-NE2 3.19Å; H46-P132 HydrophobicContact CB-CB 4.38Å; H46-P132 HydrophobicContact CB-CG 4.18Å; H46-P132 WeakPolarHBondContact CD2-CG 3.49Å; H46-P132 VanDerWaalsContact CG-CG 3.45Å; H46-P132 WeakPolarHBondContact NE2-CG 3.18Å
47F88.4Confident89.4Confident24 Ų2446.3 Ų46.311%0.10525%0.246CC..  trans-71137.6165.6-56.9-45.2000109.7I13 T14 G15 F16 E52 A53 N56 L68I13-F47 VanDerWaalsContact O-CD2 3.28Å; I13-F47 WeakPolarHBondContact O-CD2 3.42Å; I13-F47 WeakPolarHBondContact O-CE2 3.33Å; T14-F47 PolarHBondContact O-N 3.07Å; G15-F47 VanDerWaalsContact N-CE2 3.3Å; F16-F47 HydrophobicContact CD1-CZ 4.47Å; F16-F47 HydrophobicContact CD2-CE1 4.35Å; F16-F47 HydrophobicContact CE1-CE1 4.36Å; F16-F47 AromaticContact CE1-CZ 3.87Å; F16-F47 HydrophobicContact CE1-CZ 3.87Å; F16-F47 AromaticContact CE2-CE1 3.84Å; F16-F47 HydrophobicContact CE2-CE1 3.84Å; F16-F47 HydrophobicContact CE2-CZ 4.18Å; F16-F47 AromaticContact CZ-CE1 3.84Å; F16-F47 HydrophobicContact CZ-CE1 3.84Å; F16-F47 AromaticContact CZ-CZ 3.73Å; F16-F47 HydrophobicContact CZ-CZ 3.73Å; F47-E52 HydrophobicContact CD1-CG 4.38Å; F47-A53 HydrophobicContact CB-CB 4.02Å; F47-A53 HydrophobicContact CD2-CB 3.4Å; F47-A53 VanDerWaalsContact CD2-CB 3.4Å; F47-A53 HydrophobicContact CE2-CB 4.09Å; F47-A53 HydrophobicContact CG-CB 3.91Å; F47-N56 HydrophobicContact CD1-CB 4.48Å; F47-N56 HydrophobicContact CE1-CB 3.67Å; F47-N56 HydrophobicContact CZ-CB 3.76Å; F47-L68 HydrophobicContact CD1-CD1 4.36Å; F47-L68 HydrophobicContact CE1-CD2 4.38Å
48K86.1Confident89.6Confident182 Ų18245.8 Ų45.879%0.79123%0.233SC*.SBendtrans-78.9-32.3-178.6-55.2173.7-178.8173.30111.5E52K48-E52 WeakPolarHBondContact CA-OE2 3.29Å; K48-E52 WeakPolarHBondContact CB-OE2 3.32Å; K48-E52 WeakPolarHBondContact CG-OE2 3.4Å; K48-E52 PolarHBondContact N-OE2 3.48Å
49S87.4Confident89.8Confident56 Ų5647.3 Ų47.339%0.39224%0.243SC..SBendtrans-138.8161.5-176.873.30000112.8Q51 E52 A53S49-Q51 VanDerWaalsContact C-N 3.25Å; S49-Q51 PolarHBondContact O-N 3.13Å; S49-E52 PolarHBondContact O-N 3.26Å; S49-E52 WeakPolarHBondContact OG-CB 3.33Å; S49-E52 PolarHBondContact OG-N 3.12Å; S49-E52 VanDerWaalsContact OG-N 3.08Å; S49-A53 PolarHBondContact O-N 3.35Å
50V87.8Confident89.9Confident39 Ų3948.1 Ų48.124%0.23625%0.247CC..Hα-helixtrans-61.3-38.1172.3177.90000110.9A53 V54 L136 V167 V168 A171V50-A53 WeakPolarHBondContact O-CB 3.39Å; V50-A53 PolarHBondContact O-N 3.36Å; V50-V54 HydrophobicContact CG1-CG2 4.22Å; V50-V54 VanDerWaalsContact O-CG2 3.26Å; V50-V54 WeakPolarHBondContact O-CG2 3.28Å; V50-V54 PolarHBondContact O-N 3.28Å; V50-L136 HydrophobicContact CG2-CD2 3.62Å; V50-V167 HydrophobicContact CG1-CG1 3.77Å; V50-V167 HydrophobicContact CG2-CG1 3.92Å; V50-V168 HydrophobicContact CG1-CG2 4.22Å; V50-A171 HydrophobicContact CG1-CB 4.4Å
51Q89.1Confident90Very high105 Ų10547.3 Ų47.349%0.49125%0.249SC..Hα-helixtrans-62.3-49.3180-176.661.52000111S49 A53 V54 E55S49-Q51 VanDerWaalsContact C-N 3.25Å; S49-Q51 PolarHBondContact O-N 3.13Å; Q51-A53 VanDerWaalsContact C-N 3.29Å; Q51-A53 PolarHBondContact O-N 2.85Å; Q51-V54 PolarHBondContact O-N 2.99Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.43Å; Q51-E55 PolarHBondContact NE2-OE1 3.23Å; Q51-E55 WeakPolarHBondContact O-CG 3.44Å; Q51-E55 PolarHBondContact O-N 3.49Å
52E90.6Very high89.9Confident38 Ų3850 Ų5018%0.17826%0.261CS..Hα-helixtrans-59.8-39.8174.8-179.5178.7-15400111.5F47 K48 S49 E55 N56 L68F47-E52 HydrophobicContact CD1-CG 4.38Å; K48-E52 WeakPolarHBondContact CA-OE2 3.29Å; K48-E52 WeakPolarHBondContact CB-OE2 3.32Å; K48-E52 WeakPolarHBondContact CG-OE2 3.4Å; K48-E52 PolarHBondContact N-OE2 3.48Å; S49-E52 PolarHBondContact O-N 3.26Å; S49-E52 WeakPolarHBondContact OG-CB 3.33Å; S49-E52 PolarHBondContact OG-N 3.12Å; S49-E52 VanDerWaalsContact OG-N 3.08Å; E52-E55 PolarHBondContact O-N 3.14Å; E52-N56 WeakPolarHBondContact CG-ND2 3.37Å; E52-N56 WeakPolarHBondContact O-CB 3.34Å; E52-N56 PolarHBondContact O-N 3.13Å; E52-N56 PolarHBondContact O-ND2 3.43Å; E52-L68 HydrophobicContact CG-CD1 4.49Å; E52-L68 WeakPolarHBondContact OE1-CD1 3.2Å
53A91.3Very high90Very high4 Ų447 Ų473%0.03324%0.244CC..Hα-helixtrans-62.5-44.8175.700000111.9F47 S49 V50 Q51 V57 V168F47-A53 HydrophobicContact CB-CB 4.02Å; F47-A53 HydrophobicContact CD2-CB 3.4Å; F47-A53 VanDerWaalsContact CD2-CB 3.4Å; F47-A53 HydrophobicContact CE2-CB 4.09Å; F47-A53 HydrophobicContact CG-CB 3.91Å; S49-A53 PolarHBondContact O-N 3.35Å; V50-A53 WeakPolarHBondContact O-CB 3.39Å; V50-A53 PolarHBondContact O-N 3.36Å; Q51-A53 VanDerWaalsContact C-N 3.29Å; Q51-A53 PolarHBondContact O-N 2.85Å; A53-V57 VanDerWaalsContact O-CB 3.29Å; A53-V57 WeakPolarHBondContact O-CB 3.35Å; A53-V57 WeakPolarHBondContact O-CG2 3.48Å; A53-V57 PolarHBondContact O-N 3.4Å; A53-V168 HydrophobicContact CB-CG1 4.2Å; A53-V168 HydrophobicContact CB-CG2 3.81Å
54V91.5Very high90.1Very high1 Ų150.7 Ų50.71%0.00626%0.262CS..Hα-helixtrans-65.2-43.2179.3174.40000111.2V50 Q51 V57 Q58 V168 A171 R172 L175V50-V54 HydrophobicContact CG1-CG2 4.22Å; V50-V54 VanDerWaalsContact O-CG2 3.26Å; V50-V54 WeakPolarHBondContact O-CG2 3.28Å; V50-V54 PolarHBondContact O-N 3.28Å; Q51-V54 PolarHBondContact O-N 2.99Å; V54-V57 PolarHBondContact O-N 3.02Å; V54-Q58 VanDerWaalsContact O-CB 3.28Å; V54-Q58 WeakPolarHBondContact O-CB 3.27Å; V54-Q58 PolarHBondContact O-N 3.34Å; V54-V168 HydrophobicContact CG2-CB 4.47Å; V54-V168 HydrophobicContact CG2-CG1 3.83Å; V54-A171 HydrophobicContact CG2-CB 3.58Å; V54-R172 HydrophobicContact CG1-CB 4.25Å; V54-L175 HydrophobicContact CG1-CD1 3.39Å
55E92Very high90.2Very high103 Ų10350.6 Ų50.648%0.48126%0.262SS..Hα-helixtrans-60.8-51.1176.6-73.3169.1-170.800111.3Q51 E52 V57 Q58 T59Q51-E55 WeakPolarHBondContact CG-OE1 3.43Å; Q51-E55 PolarHBondContact NE2-OE1 3.23Å; Q51-E55 WeakPolarHBondContact O-CG 3.44Å; Q51-E55 PolarHBondContact O-N 3.49Å; E52-E55 PolarHBondContact O-N 3.14Å; E55-V57 PolarHBondContact O-N 3.46Å; E55-Q58 PolarHBondContact O-N 2.79Å; E55-T59 WeakPolarHBondContact O-CG2 3.23Å; E55-T59 PolarHBondContact O-N 3.3Å; E55-T59 PolarHBondContact O-OG1 3.35Å
56N93.1Very high90.4Very high11 Ų1149.1 Ų49.16%0.05925%0.254CS..Hα-helixtrans-62.2-42.3178.6-81.2-75.6000112.4F16 F47 E52 Q58 T59 I60 S66F16-N56 HydrophobicContact CZ-CB 4.09Å; F47-N56 HydrophobicContact CD1-CB 4.48Å; F47-N56 HydrophobicContact CE1-CB 3.67Å; F47-N56 HydrophobicContact CZ-CB 3.76Å; E52-N56 WeakPolarHBondContact CG-ND2 3.37Å; E52-N56 WeakPolarHBondContact O-CB 3.34Å; E52-N56 PolarHBondContact O-N 3.13Å; E52-N56 PolarHBondContact O-ND2 3.43Å; N56-Q58 VanDerWaalsContact C-N 3.33Å; N56-Q58 PolarHBondContact O-N 2.91Å; N56-T59 VanDerWaalsContact CA-OG1 3.31Å; N56-T59 WeakPolarHBondContact CA-OG1 3.39Å; N56-T59 PolarHBondContact O-N 3.46Å; N56-T59 PolarHBondContact O-OG1 2.79Å; N56-I60 WeakPolarHBondContact O-CB 3.37Å; N56-I60 WeakPolarHBondContact O-CG1 3.15Å; N56-I60 PolarHBondContact O-N 3.06Å; N56-S66 WeakPolarHBondContact OD1-CB 3.47Å; N56-S66 PolarHBondContact OD1-OG 2.86Å
57V91.9Very high90.7Very high27 Ų2752.1 Ų52.116%0.16427%0.271CS..Hα-helixtrans-63.5-41175.7170.10000110.6I13 A53 V54 E55 I60 V61 V168I13-V57 HydrophobicContact CD1-CG2 4.07Å; A53-V57 VanDerWaalsContact O-CB 3.29Å; A53-V57 WeakPolarHBondContact O-CB 3.35Å; A53-V57 WeakPolarHBondContact O-CG2 3.48Å; A53-V57 PolarHBondContact O-N 3.4Å; V54-V57 PolarHBondContact O-N 3.02Å; E55-V57 PolarHBondContact O-N 3.46Å; V57-I60 PolarHBondContact O-N 3.43Å; V57-V61 HydrophobicContact CG1-CG2 4.35Å; V57-V61 WeakPolarHBondContact O-CB 3.23Å; V57-V61 WeakPolarHBondContact O-CG2 3.28Å; V57-V61 PolarHBondContact O-N 2.78Å; V57-V168 HydrophobicContact CG2-CG1 4.28Å
58Q91Very high90.9Very high53 Ų5352.5 Ų52.525%0.24827%0.274CS..Hα-helixtrans-68.7-38.1178.6-172.160.341.500111.9V54 E55 N56 I60 V61 N62V54-Q58 VanDerWaalsContact O-CB 3.28Å; V54-Q58 WeakPolarHBondContact O-CB 3.27Å; V54-Q58 PolarHBondContact O-N 3.34Å; E55-Q58 PolarHBondContact O-N 2.79Å; N56-Q58 VanDerWaalsContact C-N 3.33Å; N56-Q58 PolarHBondContact O-N 2.91Å; Q58-I60 VanDerWaalsContact C-N 3.34Å; Q58-V61 PolarHBondContact O-N 3.29Å; Q58-N62 PolarHBondContact NE2-OD1 3.38Å; Q58-N62 VanDerWaalsContact NE2-OD1 3.1Å; Q58-N62 PolarHBondContact O-N 2.7Å; Q58-N62 VanDerWaalsContact O-N 3.09Å; Q58-N62 PolarHBondContact O-ND2 2.95Å; Q58-N62 PolarHBondContact O-OD1 3.47Å
59T92.8Very high91.3Very high43 Ų4343.8 Ų43.826%0.26424%0.236SC..Hα-helixtrans-62.5-42.4174.249.90000111.9E55 N56 N62 G63 N64E55-T59 WeakPolarHBondContact O-CG2 3.23Å; E55-T59 PolarHBondContact O-N 3.3Å; E55-T59 PolarHBondContact O-OG1 3.35Å; N56-T59 VanDerWaalsContact CA-OG1 3.31Å; N56-T59 WeakPolarHBondContact CA-OG1 3.39Å; N56-T59 PolarHBondContact O-N 3.46Å; N56-T59 PolarHBondContact O-OG1 2.79Å; T59-N62 PolarHBondContact O-N 2.73Å; T59-G63 PolarHBondContact O-N 2.96Å; T59-N64 CarbonylContact C-O 3.59Å; T59-N64 PolarHBondContact O-N 3.02Å
60I92.7Very high91.5Very high19 Ų1945.2 Ų45.210%0.09723%0.233CC..Hα-helixtrans-65.9-43.9178.6-78.1169.3000111.7E11 F16 N56 V57 Q58 N62 G63E11-I60 HydrophobicContact CB-CD1 4.45Å; E11-I60 HydrophobicContact CG-CD1 3.92Å; E11-I60 WeakPolarHBondContact OE2-CG2 3.38Å; F16-I60 HydrophobicContact CD1-CD1 4.29Å; F16-I60 HydrophobicContact CE1-CD1 3.15Å; F16-I60 HydrophobicContact CZ-CD1 3.42Å; F16-I60 VanDerWaalsContact CZ-CD1 3.42Å; N56-I60 WeakPolarHBondContact O-CB 3.37Å; N56-I60 WeakPolarHBondContact O-CG1 3.15Å; N56-I60 PolarHBondContact O-N 3.06Å; V57-I60 PolarHBondContact O-N 3.43Å; Q58-I60 VanDerWaalsContact C-N 3.34Å; I60-N62 PolarHBondContact O-N 3.42Å; I60-G63 WeakPolarHBondContact O-CA 3.44Å; I60-G63 PolarHBondContact O-N 3.44Å
61V90.6Very high91.7Very high68 Ų6850 Ų5041%0.41225%0.253SS..Hα-helixtrans-59-36.4175.5165.70000111.4V57 Q58 G63 R172V57-V61 HydrophobicContact CG1-CG2 4.35Å; V57-V61 WeakPolarHBondContact O-CB 3.23Å; V57-V61 WeakPolarHBondContact O-CG2 3.28Å; V57-V61 PolarHBondContact O-N 2.78Å; Q58-V61 PolarHBondContact O-N 3.29Å; V61-G63 PolarHBondContact O-N 2.99Å; V61-R172 VanDerWaalsContact CG2-CZ 3.49Å; V61-R172 VanDerWaalsContact CG2-NH2 3.32Å
62N89.5Confident91.9Very high92 Ų9245.6 Ų45.649%0.49223%0.232SC..THydrogen-bonded Turntrans-74.1-8.9176-66.9-10.9000112.6Q58 T59 I60Q58-N62 PolarHBondContact NE2-OD1 3.38Å; Q58-N62 VanDerWaalsContact NE2-OD1 3.1Å; Q58-N62 PolarHBondContact O-N 2.7Å; Q58-N62 VanDerWaalsContact O-N 3.09Å; Q58-N62 PolarHBondContact O-ND2 2.95Å; Q58-N62 PolarHBondContact O-OD1 3.47Å; T59-N62 PolarHBondContact O-N 2.73Å; I60-N62 PolarHBondContact O-N 3.42Å
63G90.2Very high92.1Very high1 Ų143.8 Ų43.81%0.0122%0.223CC..THydrogen-bonded Turntrans82.19.8-175.200000114.2T59 I60 V61 C94T59-G63 PolarHBondContact O-N 2.96Å; I60-G63 WeakPolarHBondContact O-CA 3.44Å; I60-G63 PolarHBondContact O-N 3.44Å; V61-G63 PolarHBondContact O-N 2.99Å; G63-C94 PolarHBondContact O-SG 3.26Å
64N92.1Very high92.1Very high88 Ų8851.3 Ų51.347%0.47125%0.251SS..PPolyproline II helixtrans-95148.6-175.8-67.7-18.6000111.9T59T59-N64 CarbonylContact C-O 3.59Å; T59-N64 PolarHBondContact O-N 3.02Å
65L91.8Very high92.1Very high23 Ų2361.6 Ų61.612%0.1229%0.29CS..PPolyproline II helixtrans-83.1118177.1-175.867.3000111L69 R70 L73 I95 C98 F100L65-L69 HydrophobicContact CD1-CB 3.87Å; L65-L69 HydrophobicContact CD1-CD2 3.64Å; L65-L69 HydrophobicContact CD1-CG 3.54Å; L65-R70 HydrophobicContact CD2-CB 3.88Å; L65-R70 HydrophobicContact CD2-CG 4.15Å; L65-R70 HydrophobicContact CG-CB 4.16Å; L65-L73 HydrophobicContact CD1-CD1 4.37Å; L65-I95 HydrophobicContact CD1-CG1 4.01Å; L65-C98 HydrophobicContact CD2-CB 4.35Å; L65-C98 WeakPolarHBondContact CD2-SG 3.44Å; L65-F100 HydrophobicContact CD2-CE2 4.23Å; L65-F100 HydrophobicContact CD2-CZ 4.04Å
66S92.4Very high92.1Very high10 Ų1058.8 Ų58.87%0.0728%0.278CS..PPolyproline II helixtrans-74.6154.8172.974.70000112.2N56 L68 L69 R70N56-S66 WeakPolarHBondContact OD1-CB 3.47Å; N56-S66 PolarHBondContact OD1-OG 2.86Å; S66-L68 VanDerWaalsContact C-N 3.26Å; S66-L68 PolarHBondContact O-N 3.08Å; S66-L69 PolarHBondContact O-N 2.68Å; S66-L69 VanDerWaalsContact OG-CB 3.31Å; S66-L69 WeakPolarHBondContact OG-CB 3.37Å; S66-L69 PolarHBondContact OG-N 2.96Å; S66-L69 VanDerWaalsContact OG-N 3.14Å; S66-R70 WeakPolarHBondContact O-CB 3.37Å; S66-R70 PolarHBondContact O-N 3.39Å
67D92.2Very high92Very high107 Ų10758.8 Ų58.857%0.57228%0.279SS*.Hα-helixtrans-61.9-36178-69.2-39.4000112.3R70 Q71D67-R70 PolarHBondContact O-N 3.41Å; D67-Q71 WeakPolarHBondContact O-CG 3.34Å; D67-Q71 PolarHBondContact O-N 2.94Å
68L93.2Very high91.9Very high32 Ų3260.1 Ų60.117%0.16829%0.288CS..Hα-helixtrans-64-45.4175.2-171.6151.9000111F16 V45 F47 E52 S66 Q71 F72F16-L68 HydrophobicContact CD2-CD2 3.42Å; F16-L68 VanDerWaalsContact CD2-CD2 3.42Å; F16-L68 HydrophobicContact CE2-CD2 3.48Å; F16-L68 VanDerWaalsContact CE2-CD2 3.48Å; V45-L68 HydrophobicContact CG1-CD2 3.77Å; V45-L68 HydrophobicContact CG2-CD2 4.13Å; F47-L68 HydrophobicContact CD1-CD1 4.36Å; F47-L68 HydrophobicContact CE1-CD2 4.38Å; E52-L68 HydrophobicContact CG-CD1 4.49Å; E52-L68 WeakPolarHBondContact OE1-CD1 3.2Å; S66-L68 VanDerWaalsContact C-N 3.26Å; S66-L68 PolarHBondContact O-N 3.08Å; L68-Q71 PolarHBondContact O-N 3.36Å; L68-F72 VanDerWaalsContact O-CB 3.26Å; L68-F72 WeakPolarHBondContact O-CB 3.29Å; L68-F72 PolarHBondContact O-N 3.3Å
69L93.2Very high91.6Very high0 Ų061.4 Ų61.40%030%0.3CS..Hα-helixtrans-65.6-40.5177.7-176.953.7000111.1L9 F16 L65 S66 Q71 F72 L73 L91L9-L69 HydrophobicContact CD1-CD1 3.86Å; L9-L69 HydrophobicContact CD2-CD1 3.97Å; L9-L69 HydrophobicContact CD2-CD2 4.2Å; F16-L69 HydrophobicContact CB-CD1 4.36Å; F16-L69 HydrophobicContact CD1-CD1 4.39Å; F16-L69 HydrophobicContact CD2-CB 4.07Å; F16-L69 HydrophobicContact CD2-CD1 3.79Å; F16-L69 HydrophobicContact CD2-CG 4.46Å; F16-L69 HydrophobicContact CE2-CB 3.68Å; F16-L69 HydrophobicContact CE2-CD1 4.16Å; F16-L69 HydrophobicContact CE2-CG 4.36Å; F16-L69 HydrophobicContact CG-CD1 3.91Å; F16-L69 HydrophobicContact CZ-CB 4.26Å; L65-L69 HydrophobicContact CD1-CB 3.87Å; L65-L69 HydrophobicContact CD1-CD2 3.64Å; L65-L69 HydrophobicContact CD1-CG 3.54Å; S66-L69 PolarHBondContact O-N 2.68Å; S66-L69 VanDerWaalsContact OG-CB 3.31Å; S66-L69 WeakPolarHBondContact OG-CB 3.37Å; S66-L69 PolarHBondContact OG-N 2.96Å; S66-L69 VanDerWaalsContact OG-N 3.14Å; L69-Q71 PolarHBondContact O-N 3.18Å; L69-F72 HydrophobicContact CD1-CD1 4.2Å; L69-F72 PolarHBondContact O-N 3.46Å; L69-L73 HydrophobicContact CD1-CD1 4.27Å; L69-L73 HydrophobicContact CD1-CD2 4.48Å; L69-L73 HydrophobicContact CD1-CG 4.07Å; L69-L73 HydrophobicContact CG-CD1 4.23Å; L69-L73 HydrophobicContact CG-CG 4.46Å; L69-L73 WeakPolarHBondContact O-CG 3.36Å; L69-L73 PolarHBondContact O-N 3.31Å; L69-L91 HydrophobicContact CD2-CD1 4.4Å
70R92.8Very high91.2Very high86 Ų8664.2 Ų64.233%0.32532%0.317SS..Hα-helixtrans-57.6-48.9175.1-176.6-177.7-62.7-176.31.4111.9L65 S66 D67 R74 F100L65-R70 HydrophobicContact CD2-CB 3.88Å; L65-R70 HydrophobicContact CD2-CG 4.15Å; L65-R70 HydrophobicContact CG-CB 4.16Å; S66-R70 WeakPolarHBondContact O-CB 3.37Å; S66-R70 PolarHBondContact O-N 3.39Å; D67-R70 PolarHBondContact O-N 3.41Å; R70-R74 WeakPolarHBondContact O-CG 3.47Å; R70-R74 PolarHBondContact O-N 3.08Å; R70-R74 VanDerWaalsContact O-N 3.12Å; R70-F100 HydrophobicContact CG-CE1 4.23Å; R70-F100 HydrophobicContact CG-CZ 4Å
71Q92.4Very high90.9Very high138 Ų13868.2 Ų68.265%0.64534%0.339SS*.Hα-helixtrans-66.2-38.7177.8-69.4174.425.500111.9D67 L68 L69 R74 R75D67-Q71 WeakPolarHBondContact O-CG 3.34Å; D67-Q71 PolarHBondContact O-N 2.94Å; L68-Q71 PolarHBondContact O-N 3.36Å; L69-Q71 PolarHBondContact O-N 3.18Å; Q71-R74 PolarHBondContact O-N 2.97Å; Q71-R75 WeakPolarHBondContact O-CB 3.39Å; Q71-R75 PolarHBondContact O-N 2.89Å; Q71-R75 VanDerWaalsContact O-N 3.1Å
72F93Very high90.9Very high13 Ų1365.3 Ų65.36%0.05732%0.322CS..Hα-helixtrans-63.5-43.9178178.2-112.8000112.4L9 F16 L18 A43 V45 L68 L69 R75 N76L9-F72 HydrophobicContact CD1-CE1 4.25Å; F16-F72 HydrophobicContact CB-CD1 3.8Å; F16-F72 HydrophobicContact CB-CE1 3.68Å; F16-F72 HydrophobicContact CB-CZ 4.36Å; F16-F72 WeakPolarHBondContact O-CZ 3.49Å; L18-F72 HydrophobicContact CB-CE1 4.49Å; L18-F72 HydrophobicContact CB-CZ 4.29Å; L18-F72 HydrophobicContact CD1-CD1 4.29Å; L18-F72 HydrophobicContact CD1-CE1 3.62Å; L18-F72 HydrophobicContact CD1-CE2 4.5Å; L18-F72 HydrophobicContact CD1-CZ 3.73Å; L18-F72 HydrophobicContact CG-CE1 3.61Å; L18-F72 HydrophobicContact CG-CZ 3.84Å; A43-F72 HydrophobicContact CB-CE2 3.9Å; A43-F72 HydrophobicContact CB-CZ 4.09Å; V45-F72 HydrophobicContact CB-CD2 3.67Å; V45-F72 HydrophobicContact CB-CE2 3.89Å; V45-F72 HydrophobicContact CB-CG 4.4Å; V45-F72 HydrophobicContact CG1-CB 4.13Å; V45-F72 HydrophobicContact CG1-CD1 4.17Å; V45-F72 HydrophobicContact CG1-CD2 3.37Å; V45-F72 HydrophobicContact CG1-CE1 4.42Å; V45-F72 HydrophobicContact CG1-CE2 3.71Å; V45-F72 HydrophobicContact CG1-CG 3.64Å; V45-F72 HydrophobicContact CG1-CZ 4.22Å; L68-F72 VanDerWaalsContact O-CB 3.26Å; L68-F72 WeakPolarHBondContact O-CB 3.29Å; L68-F72 PolarHBondContact O-N 3.3Å; L69-F72 HydrophobicContact CD1-CD1 4.2Å; L69-F72 PolarHBondContact O-N 3.46Å; F72-R75 PolarHBondContact O-N 3.44Å; F72-N76 WeakPolarHBondContact CD2-ND2 3.47Å; F72-N76 WeakPolarHBondContact CE2-ND2 3.49Å; F72-N76 PolarHBondContact O-N 3.04Å; F72-N76 PolarHBondContact O-ND2 3.44Å
73L93.6Very high91.1Very high0 Ų061.5 Ų61.50%030%0.302CS..Hα-helixtrans-65.8-47.1176.6-68.1176.1000111.4L9 L18 L65 L69 R75 N76 V77 L84 I95 F100L9-L73 HydrophobicContact CD1-CD2 4.35Å; L18-L73 HydrophobicContact CD2-CD2 4.47Å; L65-L73 HydrophobicContact CD1-CD1 4.37Å; L69-L73 HydrophobicContact CD1-CD1 4.27Å; L69-L73 HydrophobicContact CD1-CD2 4.48Å; L69-L73 HydrophobicContact CD1-CG 4.07Å; L69-L73 HydrophobicContact CG-CD1 4.23Å; L69-L73 HydrophobicContact CG-CG 4.46Å; L69-L73 WeakPolarHBondContact O-CG 3.36Å; L69-L73 PolarHBondContact O-N 3.31Å; L73-R75 PolarHBondContact O-N 3.08Å; L73-N76 PolarHBondContact O-N 3.5Å; L73-V77 HydrophobicContact CD2-CG2 3.96Å; L73-V77 WeakPolarHBondContact O-CB 3.46Å; L73-V77 PolarHBondContact O-N 3.43Å; L73-L84 HydrophobicContact CD1-CD2 4.48Å; L73-L84 HydrophobicContact CD2-CD2 3.93Å; L73-I95 HydrophobicContact CD1-CD1 4.04Å; L73-I95 HydrophobicContact CD1-CG1 4.16Å; L73-I95 HydrophobicContact CD1-CG2 4.17Å; L73-F100 HydrophobicContact CD1-CE2 4.36Å
74R91.9Very high91.3Very high163 Ų16361.5 Ų61.562%0.61530%0.301SS*.Hα-helixtrans-56.5-35.1177.2-75.5-177.2174173.10.5113.6R70 Q71 F100R70-R74 WeakPolarHBondContact O-CG 3.47Å; R70-R74 PolarHBondContact O-N 3.08Å; R70-R74 VanDerWaalsContact O-N 3.12Å; Q71-R74 PolarHBondContact O-N 2.97Å; R74-F100 HydrophobicContact CG-CD1 3.7Å; R74-F100 HydrophobicContact CG-CE1 3.42Å; R74-F100 VanDerWaalsContact CG-CE1 3.42Å
75R92Very high91.4Very high216 Ų21657.4 Ų57.482%0.81528%0.281SS*.Hα-helixtrans-79.8-31.9-176.9-179.8174.6174173.50.1113.4Q71 F72 L73Q71-R75 WeakPolarHBondContact O-CB 3.39Å; Q71-R75 PolarHBondContact O-N 2.89Å; Q71-R75 VanDerWaalsContact O-N 3.1Å; F72-R75 PolarHBondContact O-N 3.44Å; L73-R75 PolarHBondContact O-N 3.08Å
76N91.4Very high91.5Very high45 Ų4556.3 Ų56.324%0.24128%0.275CS..Hα-helixtrans-117-15.9-164.8-63-73.8000114.6L18 A43 F72 L73L18-N76 HydrophobicContact CD1-CB 3.43Å; L18-N76 VanDerWaalsContact CD1-CB 3.43Å; A43-N76 HydrophobicContact CB-CB 4.11Å; A43-N76 VanDerWaalsContact CB-OD1 3.27Å; A43-N76 WeakPolarHBondContact CB-OD1 3.47Å; F72-N76 WeakPolarHBondContact CD2-ND2 3.47Å; F72-N76 WeakPolarHBondContact CE2-ND2 3.49Å; F72-N76 PolarHBondContact O-N 3.04Å; F72-N76 PolarHBondContact O-ND2 3.44Å; L73-N76 PolarHBondContact O-N 3.5Å
77V91.2Very high91.5Very high11 Ų1157.7 Ų57.77%0.06728%0.284CS..SBendtrans-103.1120.8-178.9-176.70000109.9L7 L18 L73 F102L7-V77 HydrophobicContact CD1-CB 4.48Å; L7-V77 HydrophobicContact CD1-CG1 4.18Å; L7-V77 HydrophobicContact CD1-CG2 4.23Å; L18-V77 HydrophobicContact CD1-CG2 3.9Å; L18-V77 HydrophobicContact CD2-CG2 4.17Å; L73-V77 HydrophobicContact CD2-CG2 3.96Å; L73-V77 WeakPolarHBondContact O-CB 3.46Å; L73-V77 PolarHBondContact O-N 3.43Å; V77-F102 HydrophobicContact CB-CD1 4.1Å; V77-F102 HydrophobicContact CB-CE1 3.78Å; V77-F102 HydrophobicContact CB-CZ 4.41Å; V77-F102 HydrophobicContact CG1-CB 4.44Å; V77-F102 HydrophobicContact CG1-CD1 3.32Å; V77-F102 HydrophobicContact CG1-CD2 4.34Å; V77-F102 HydrophobicContact CG1-CE1 3.45Å; V77-F102 VanDerWaalsContact CG1-CE1 3.45Å; V77-F102 HydrophobicContact CG1-CE2 4.49Å; V77-F102 HydrophobicContact CG1-CG 3.8Å; V77-F102 HydrophobicContact CG1-CZ 4.08Å
78P89Confident91.5Very high55 Ų5555.9 Ų55.936%0.35728%0.275SS..  trans-63.2139.6173.2-20.232.1000111.6V80 C82P78-V80 VanDerWaalsContact C-N 3.32Å; P78-V80 PolarHBondContact O-N 3.36Å; P78-C82 WeakPolarHBondContact O-CB 3.36Å
79P85Confident91.5Very high79 Ų7958.4 Ų58.451%0.51329%0.285SS..SBendtrans-76-15.9-179.129.4-34.5000113.9G101P79-G101 CarbonylContact O-C 3.48Å; P79-G101 VanDerWaalsContact O-C 3.23Å
80V85.7Confident91.5Very high102 Ų10265.1 Ų65.162%0.61832%0.315SS*.SBendtrans-122.5148.2-177.8-171.30000109.3P78 C82P78-V80 VanDerWaalsContact C-N 3.32Å; P78-V80 PolarHBondContact O-N 3.36Å; V80-C82 PolarHBondContact O-N 3.41Å
81D85.8Confident91.5Very high103 Ų10361.1 Ų61.155%0.55130%0.3SS*.SBendtrans57.129.8178.5-58.6-27.9000114.9Q5Q5-D81 PolarHBondContact N-O 3.49Å
82C90.6Very high91.4Very high8 Ų854.5 Ų54.55%0.05427%0.269CS..EExtended strand (participates in β ladder)trans-129.7140.8-177.8-170.10000112.2Q5 L7 P78 V80 F102Q5-C82 WeakPolarHBondContact O-CA 3.49Å; L7-C82 VanDerWaalsContact CD1-SG 3.54Å; P78-C82 WeakPolarHBondContact O-CB 3.36Å; V80-C82 PolarHBondContact O-N 3.41Å; C82-F102 HydrophobicContact CB-CB 4.39Å; C82-F102 WeakPolarHBondContact O-CB 3.43Å
83V92.7Very high91.4Very high12 Ų1259.2 Ų59.27%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-124.7124.3174.9172.10000108.6V4 Q5 L7 E103 I105V4-V83 HydrophobicContact CG1-CB 4.21Å; V4-V83 HydrophobicContact CG1-CG2 3.46Å; V4-V83 VanDerWaalsContact CG1-CG2 3.46Å; Q5-V83 PolarHBondContact O-N 2.9Å; L7-V83 PolarHBondContact N-O 3.35Å; V83-E103 HydrophobicContact CG2-CB 4.41Å; V83-I105 HydrophobicContact CG1-CB 4.3Å; V83-I105 HydrophobicContact CG1-CD1 3.25Å; V83-I105 HydrophobicContact CG1-CG1 3.55Å
84L94.5Very high91.4Very high0 Ų061.4 Ų61.40%030%0.304CS..EExtended strand (participates in β ladder)trans-98.8114.8-179.2-173.668.9000111.6L7 L9 L18 L73 V86 I95 F102 E103 C104 I105L7-L84 HydrophobicContact CB-CD1 4.13Å; L7-L84 CarbonylContact O-C 3.5Å; L7-L84 WeakPolarHBondContact O-CA 3.24Å; L9-L84 HydrophobicContact CB-CD1 4.19Å; L18-L84 HydrophobicContact CD2-CD1 3.83Å; L73-L84 HydrophobicContact CD1-CD2 4.48Å; L73-L84 HydrophobicContact CD2-CD2 3.93Å; L84-V86 HydrophobicContact CD2-CG2 3.97Å; L84-V86 HydrophobicContact CG-CG2 4Å; L84-I95 HydrophobicContact CD2-CG2 4.44Å; L84-F102 HydrophobicContact CB-CD2 3.88Å; L84-F102 HydrophobicContact CB-CE2 3.88Å; L84-F102 HydrophobicContact CD2-CD2 4.43Å; L84-F102 HydrophobicContact CD2-CE2 3.58Å; L84-F102 HydrophobicContact CD2-CZ 4.08Å; L84-F102 HydrophobicContact CG-CE2 4.36Å; L84-E103 PolarHBondContact N-O 2.62Å; L84-C104 CarbonylContact O-C 3.52Å; L84-C104 VanDerWaalsContact O-CA 3.26Å; L84-C104 WeakPolarHBondContact O-CA 3.44Å; L84-I105 PolarHBondContact O-N 3.27Å
85G93.9Very high91.4Very high3 Ų353.7 Ų53.73%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-77.8122.3168.500000111.5L7 L9 I105L7-G85 PolarHBondContact O-N 3.21Å; L9-G85 PolarHBondContact N-O 2.98Å; G85-I105 WeakPolarHBondContact CA-O 3.5Å
86V94.8Very high91.3Very high0 Ų046.7 Ų46.70%025%0.253CS..  trans-121.4146.2178.9-176.70000109.8L84 L91 I95 I105L84-V86 HydrophobicContact CD2-CG2 3.97Å; L84-V86 HydrophobicContact CG-CG2 4Å; V86-L91 HydrophobicContact CG1-CB 4.15Å; V86-L91 HydrophobicContact CG1-CD2 3.85Å; V86-L91 HydrophobicContact CG1-CG 4.04Å; V86-I95 HydrophobicContact CG1-CD1 4.47Å; V86-I95 HydrophobicContact CG2-CD1 4.04Å; V86-I105 PolarHBondContact N-O 3.42Å
87S92.4Very high91.3Very high39 Ų3948.1 Ų48.127%0.27327%0.272SS..SBendtrans-76.1-30.4-176.7-167.80000114.4H111S87-H111 PolarHBondContact O-CE1 3.25Å
88D92.1Very high91.2Very high68 Ų6849.2 Ų49.236%0.36428%0.279SS..  trans-118.5135.9-176.7-167.6-16.7000109.9K90 L91 G92D88-K90 VanDerWaalsContact C-N 3.31Å; D88-K90 PolarHBondContact O-N 3.39Å; D88-K90 PolarHBondContact OD1-N 3.38Å; D88-L91 HydrophobicContact CB-CB 4.21Å; D88-L91 PolarHBondContact O-N 3.44Å; D88-G92 PolarHBondContact O-N 2.87Å
89E92.6Very high91Very high85 Ų8553.5 Ų53.540%0.39730%0.299SS..Hα-helixtrans-61.6-39.5176178.5-179.9169.800111.5G92 K93 W106E89-G92 PolarHBondContact O-N 2.84Å; E89-K93 HydrophobicContact CG-CD 4.16Å; E89-K93 WeakPolarHBondContact O-CG 3.23Å; E89-K93 PolarHBondContact O-N 3.14Å; E89-K93 WeakPolarHBondContact OE1-CE 3.35Å; E89-K93 IonicContact OE1-NZ 3.95Å; E89-K93 PolarHBondContact OE1-NZ 3.41Å; E89-W106 HydrophobicContact CB-CG 4.13Å; E89-W106 HydrophobicContact CG-CD2 4.34Å; E89-W106 HydrophobicContact CG-CG 4.37Å; E89-W106 HydrophobicContact CG-CZ2 4.37Å
90K93Very high91.1Very high142 Ų14251.1 Ų51.162%0.61728%0.281SS*.Hα-helixtrans-63.7-47.2-179.6-69.5-177.6-179.9178.70111.2D88 G92 K93 C94D88-K90 VanDerWaalsContact C-N 3.31Å; D88-K90 PolarHBondContact O-N 3.39Å; D88-K90 PolarHBondContact OD1-N 3.38Å; K90-G92 VanDerWaalsContact C-N 3.34Å; K90-K93 PolarHBondContact O-N 3.41Å; K90-C94 PolarHBondContact O-N 2.97Å; K90-C94 PolarHBondContact O-SG 3.08Å
91L92.9Very high91Very high1 Ų149.2 Ų49.21%0.00528%0.282CS..Hα-helixtrans-63.6-41.9176.6-177.764.1000111.1E11 L69 V86 D88 K93 C94 I95E11-L91 WeakPolarHBondContact OE1-CD2 3.37Å; L69-L91 HydrophobicContact CD2-CD1 4.4Å; V86-L91 HydrophobicContact CG1-CB 4.15Å; V86-L91 HydrophobicContact CG1-CD2 3.85Å; V86-L91 HydrophobicContact CG1-CG 4.04Å; D88-L91 HydrophobicContact CB-CB 4.21Å; D88-L91 PolarHBondContact O-N 3.44Å; L91-K93 PolarHBondContact O-N 2.65Å; L91-C94 PolarHBondContact O-N 3.34Å; L91-I95 HydrophobicContact CD1-CD1 4.3Å; L91-I95 HydrophobicContact CD1-CG1 4.45Å; L91-I95 HydrophobicContact CD2-CD1 4.5Å; L91-I95 HydrophobicContact CG-CD1 3.91Å; L91-I95 HydrophobicContact CG-CG1 4.47Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 2.88Å
92G92.1Very high91.2Very high0 Ų045 Ų450%026%0.259CS..Hα-helixtrans-57.4-46.9175.100000112.6D88 E89 K90 C94 I95 L96D88-G92 PolarHBondContact O-N 2.87Å; E89-G92 PolarHBondContact O-N 2.84Å; K90-G92 VanDerWaalsContact C-N 3.34Å; G92-C94 PolarHBondContact O-N 3.05Å; G92-I95 PolarHBondContact O-N 3.32Å; G92-L96 WeakPolarHBondContact O-CG 3.38Å; G92-L96 PolarHBondContact O-N 2.71Å
93K92.1Very high91.2Very high112 Ų11251 Ų5149%0.48729%0.286SS..Hα-helixtrans-61.3-40.9175-75.2173.3170.6171.50112.4E89 K90 L91 L96 A97E89-K93 HydrophobicContact CG-CD 4.16Å; E89-K93 WeakPolarHBondContact O-CG 3.23Å; E89-K93 PolarHBondContact O-N 3.14Å; E89-K93 WeakPolarHBondContact OE1-CE 3.35Å; E89-K93 IonicContact OE1-NZ 3.95Å; E89-K93 PolarHBondContact OE1-NZ 3.41Å; K90-K93 PolarHBondContact O-N 3.41Å; L91-K93 PolarHBondContact O-N 2.65Å; K93-L96 PolarHBondContact O-N 3.19Å; K93-A97 WeakPolarHBondContact O-CB 3.48Å; K93-A97 PolarHBondContact O-N 3.1Å
94C92.5Very high91.2Very high45 Ų4551 Ų5130%0.30429%0.286SS..Hα-helixtrans-67.7-34.7176.3-750000113.3G63 K90 L91 G92 C98G63-C94 PolarHBondContact O-SG 3.26Å; K90-C94 PolarHBondContact O-N 2.97Å; K90-C94 PolarHBondContact O-SG 3.08Å; L91-C94 PolarHBondContact O-N 3.34Å; G92-C94 PolarHBondContact O-N 3.05Å; C94-C98 PolarHBondContact O-SG 3.03Å
95I92.7Very high91.1Very high1 Ų152.7 Ų52.71%0.00530%0.295CS..Hα-helixtrans-68.6-44.3174.4-70166.3000110.3L9 L65 L73 L84 V86 L91 G92 A97 C98 F100 F102L9-I95 HydrophobicContact CD2-CD1 4.35Å; L65-I95 HydrophobicContact CD1-CG1 4.01Å; L73-I95 HydrophobicContact CD1-CD1 4.04Å; L73-I95 HydrophobicContact CD1-CG1 4.16Å; L73-I95 HydrophobicContact CD1-CG2 4.17Å; L84-I95 HydrophobicContact CD2-CG2 4.44Å; V86-I95 HydrophobicContact CG1-CD1 4.47Å; V86-I95 HydrophobicContact CG2-CD1 4.04Å; L91-I95 HydrophobicContact CD1-CD1 4.3Å; L91-I95 HydrophobicContact CD1-CG1 4.45Å; L91-I95 HydrophobicContact CD2-CD1 4.5Å; L91-I95 HydrophobicContact CG-CD1 3.91Å; L91-I95 HydrophobicContact CG-CG1 4.47Å; L91-I95 VanDerWaalsContact O-CG1 3.3Å; L91-I95 WeakPolarHBondContact O-CG1 3.41Å; L91-I95 PolarHBondContact O-N 2.88Å; G92-I95 PolarHBondContact O-N 3.32Å; I95-A97 VanDerWaalsContact C-N 3.28Å; I95-A97 PolarHBondContact O-N 3.24Å; I95-C98 WeakPolarHBondContact O-CB 3.38Å; I95-C98 PolarHBondContact O-N 3.22Å; I95-F100 HydrophobicContact CG2-CD2 3.9Å; I95-F100 HydrophobicContact CG2-CE2 3.9Å; I95-F102 HydrophobicContact CG2-CE2 3.92Å; I95-F102 HydrophobicContact CG2-CZ 4.19Å
96L91.1Very high90.9Very high70 Ų7056.2 Ų56.237%0.36631%0.307SS..Hα-helixtrans-59.3-40.2176-75.4172000111.7G92 K93 C98 D99 C104 W106G92-L96 WeakPolarHBondContact O-CG 3.38Å; G92-L96 PolarHBondContact O-N 2.71Å; K93-L96 PolarHBondContact O-N 3.19Å; L96-C98 PolarHBondContact O-N 3.15Å; L96-C98 VanDerWaalsContact O-N 3.09Å; L96-D99 PolarHBondContact O-N 3.5Å; L96-C104 HydrophobicContact CD1-CB 4.15Å; L96-C104 HydrophobicContact CD2-CB 3.89Å; L96-C104 HydrophobicContact CG-CB 3.82Å; L96-W106 HydrophobicContact CD1-CH2 4.23Å; L96-W106 HydrophobicContact CD1-CZ3 3.88Å
97A91.2Very high90.6Very high75 Ų7561.8 Ų61.862%0.6233%0.333SS*.THydrogen-bonded Turntrans-65.2-8.8176.600000114.8K93 I95K93-A97 WeakPolarHBondContact O-CB 3.48Å; K93-A97 PolarHBondContact O-N 3.1Å; I95-A97 VanDerWaalsContact C-N 3.28Å; I95-A97 PolarHBondContact O-N 3.24Å
98C87.8Confident90.4Very high34 Ų3462.5 Ų62.523%0.2335%0.346CS..THydrogen-bonded Turntrans-93.80.6177.6-66.50000114L65 C94 I95 L96 F100L65-C98 HydrophobicContact CD2-CB 4.35Å; L65-C98 WeakPolarHBondContact CD2-SG 3.44Å; C94-C98 PolarHBondContact O-SG 3.03Å; I95-C98 WeakPolarHBondContact O-CB 3.38Å; I95-C98 PolarHBondContact O-N 3.22Å; L96-C98 PolarHBondContact O-N 3.15Å; L96-C98 VanDerWaalsContact O-N 3.09Å; C98-F100 HydrophobicContact CB-CD2 4.06Å; C98-F100 HydrophobicContact CB-CE1 4.4Å; C98-F100 HydrophobicContact CB-CE2 3.49Å; C98-F100 VanDerWaalsContact CB-CE2 3.49Å; C98-F100 HydrophobicContact CB-CZ 3.7Å; C98-F100 PolarHBondContact O-N 2.95Å
99D85.7Confident90.2Very high144 Ų14461.5 Ų61.577%0.7735%0.345SS*.  trans51.155.7174.6-62.2-29.2000114.8L96 G101L96-D99 PolarHBondContact O-N 3.5Å; D99-G101 VanDerWaalsContact C-N 3.35Å
100F86.5Confident90.2Very high29 Ų2957.5 Ų57.513%0.12733%0.326CS..  trans-78.4-14.6175.9-61.5-68.1000114.6L65 R70 L73 R74 I95 C98 F102L65-F100 HydrophobicContact CD2-CE2 4.23Å; L65-F100 HydrophobicContact CD2-CZ 4.04Å; R70-F100 HydrophobicContact CG-CE1 4.23Å; R70-F100 HydrophobicContact CG-CZ 4Å; L73-F100 HydrophobicContact CD1-CE2 4.36Å; R74-F100 HydrophobicContact CG-CD1 3.7Å; R74-F100 HydrophobicContact CG-CE1 3.42Å; R74-F100 VanDerWaalsContact CG-CE1 3.42Å; I95-F100 HydrophobicContact CG2-CD2 3.9Å; I95-F100 HydrophobicContact CG2-CE2 3.9Å; C98-F100 HydrophobicContact CB-CD2 4.06Å; C98-F100 HydrophobicContact CB-CE1 4.4Å; C98-F100 HydrophobicContact CB-CE2 3.49Å; C98-F100 VanDerWaalsContact CB-CE2 3.49Å; C98-F100 HydrophobicContact CB-CZ 3.7Å; C98-F100 PolarHBondContact O-N 2.95Å; F100-F102 HydrophobicContact CB-CD1 3.65Å; F100-F102 HydrophobicContact CB-CE1 3.18Å; F100-F102 HydrophobicContact CB-CE2 4.44Å; F100-F102 HydrophobicContact CB-CG 4.48Å; F100-F102 HydrophobicContact CB-CZ 3.62Å; F100-F102 HydrophobicContact CD2-CE1 4.09Å; F100-F102 HydrophobicContact CD2-CE2 4.41Å; F100-F102 AromaticContact CD2-CZ 3.65Å; F100-F102 HydrophobicContact CD2-CZ 3.65Å; F100-F102 AromaticContact CG-CE1 3.76Å; F100-F102 HydrophobicContact CG-CE1 3.76Å; F100-F102 AromaticContact CG-CZ 3.84Å; F100-F102 HydrophobicContact CG-CZ 3.84Å
101G84.6Confident90.1Very high62 Ų6254.7 Ų54.764%0.63932%0.315SS*.SBendtrans96.5-12.6179.700000115.9P79 D99P79-G101 CarbonylContact O-C 3.48Å; P79-G101 VanDerWaalsContact O-C 3.23Å; D99-G101 VanDerWaalsContact C-N 3.35Å
102F89.5Confident89.9Confident16 Ų1658 Ų587%0.0733%0.33CS..SBendtrans-100.6154.3176.156.6-103.4000112.6V77 C82 L84 I95 F100V77-F102 HydrophobicContact CB-CD1 4.1Å; V77-F102 HydrophobicContact CB-CE1 3.78Å; V77-F102 HydrophobicContact CB-CZ 4.41Å; V77-F102 HydrophobicContact CG1-CB 4.44Å; V77-F102 HydrophobicContact CG1-CD1 3.32Å; V77-F102 HydrophobicContact CG1-CD2 4.34Å; V77-F102 HydrophobicContact CG1-CE1 3.45Å; V77-F102 VanDerWaalsContact CG1-CE1 3.45Å; V77-F102 HydrophobicContact CG1-CE2 4.49Å; V77-F102 HydrophobicContact CG1-CG 3.8Å; V77-F102 HydrophobicContact CG1-CZ 4.08Å; C82-F102 HydrophobicContact CB-CB 4.39Å; C82-F102 WeakPolarHBondContact O-CB 3.43Å; L84-F102 HydrophobicContact CB-CD2 3.88Å; L84-F102 HydrophobicContact CB-CE2 3.88Å; L84-F102 HydrophobicContact CD2-CD2 4.43Å; L84-F102 HydrophobicContact CD2-CE2 3.58Å; L84-F102 HydrophobicContact CD2-CZ 4.08Å; L84-F102 HydrophobicContact CG-CE2 4.36Å; I95-F102 HydrophobicContact CG2-CE2 3.92Å; I95-F102 HydrophobicContact CG2-CZ 4.19Å; F100-F102 HydrophobicContact CB-CD1 3.65Å; F100-F102 HydrophobicContact CB-CE1 3.18Å; F100-F102 HydrophobicContact CB-CE2 4.44Å; F100-F102 HydrophobicContact CB-CG 4.48Å; F100-F102 HydrophobicContact CB-CZ 3.62Å; F100-F102 HydrophobicContact CD2-CE1 4.09Å; F100-F102 HydrophobicContact CD2-CE2 4.41Å; F100-F102 AromaticContact CD2-CZ 3.65Å; F100-F102 HydrophobicContact CD2-CZ 3.65Å; F100-F102 AromaticContact CG-CE1 3.76Å; F100-F102 HydrophobicContact CG-CE1 3.76Å; F100-F102 AromaticContact CG-CZ 3.84Å; F100-F102 HydrophobicContact CG-CZ 3.84Å
103E90.2Very high89.8Confident134 Ų13458 Ų5863%0.62633%0.331SS*.EExtended strand (participates in β ladder)trans-80.7150.6175.7-64.2-176.817100111.5V83 L84V83-E103 HydrophobicContact CG2-CB 4.41Å; L84-E103 PolarHBondContact N-O 2.62Å
104C92.3Very high89.8Confident11 Ų1152.9 Ų52.97%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-118.9136.2176.3-690000110.9L84 L96 W106L84-C104 CarbonylContact O-C 3.52Å; L84-C104 VanDerWaalsContact O-CA 3.26Å; L84-C104 WeakPolarHBondContact O-CA 3.44Å; L96-C104 HydrophobicContact CD1-CB 4.15Å; L96-C104 HydrophobicContact CD2-CB 3.89Å; L96-C104 HydrophobicContact CG-CB 3.82Å; C104-W106 VanDerWaalsContact O-CZ3 3.32Å; C104-W106 WeakPolarHBondContact O-CZ3 2.83Å
105I93.2Very high89.8Confident36 Ų3657.4 Ų57.419%0.18532%0.319CS..EExtended strand (participates in β ladder)trans-124.1139.2-179.9-62.4-175.2000110.3V83 L84 G85 V86 H107 V110V83-I105 HydrophobicContact CG1-CB 4.3Å; V83-I105 HydrophobicContact CG1-CD1 3.25Å; V83-I105 HydrophobicContact CG1-CG1 3.55Å; L84-I105 PolarHBondContact O-N 3.27Å; G85-I105 WeakPolarHBondContact CA-O 3.5Å; V86-I105 PolarHBondContact N-O 3.42Å; I105-H107 HydrophobicContact CG2-CB 4.14Å; I105-H107 WeakPolarHBondContact CG2-CD2 3.04Å; I105-V110 HydrophobicContact CB-CG2 4.43Å; I105-V110 HydrophobicContact CG2-CG2 3.81Å
106W90.7Very high89.6Confident77 Ų7758.6 Ų58.629%0.29233%0.326SS..  trans-133.329.7179.456.488.9000113E89 L96 C104E89-W106 HydrophobicContact CB-CG 4.13Å; E89-W106 HydrophobicContact CG-CD2 4.34Å; E89-W106 HydrophobicContact CG-CG 4.37Å; E89-W106 HydrophobicContact CG-CZ2 4.37Å; L96-W106 HydrophobicContact CD1-CH2 4.23Å; L96-W106 HydrophobicContact CD1-CZ3 3.88Å; C104-W106 VanDerWaalsContact O-CZ3 3.32Å; C104-W106 WeakPolarHBondContact O-CZ3 2.83Å
107H88.4Confident89.6Confident117 Ų11755.2 Ų55.254%0.54231%0.309SS..  trans-72165.9-178.5-57.3-39000113.5I105 S109 V110I105-H107 HydrophobicContact CG2-CB 4.14Å; I105-H107 WeakPolarHBondContact CG2-CD2 3.04Å; H107-S109 PolarHBondContact O-N 3.35Å; H107-S109 VanDerWaalsContact O-N 3.09Å; H107-V110 VanDerWaalsContact O-CB 3.28Å; H107-V110 WeakPolarHBondContact O-CB 3.37Å; H107-V110 PolarHBondContact O-N 2.99Å
108G87.5Confident89.5Confident53 Ų5358.2 Ų58.255%0.54630%0.304SS..Hα-helixtrans-46-40.417300000114.2V110 H111 E112G108-V110 VanDerWaalsContact C-N 3.28Å; G108-V110 PolarHBondContact O-N 3.43Å; G108-H111 WeakPolarHBondContact O-CB 3.26Å; G108-H111 PolarHBondContact O-N 3.45Å; G108-H111 VanDerWaalsContact O-N 3.14Å; G108-E112 PolarHBondContact O-N 2.99Å
109S88.7Confident89.5Confident48 Ų4864.6 Ų64.634%0.33633%0.33SS..Hα-helixtrans-60.4-33.3177.6-50.60000113.8H107 H111 E112 V113H107-S109 PolarHBondContact O-N 3.35Å; H107-S109 VanDerWaalsContact O-N 3.09Å; S109-H111 VanDerWaalsContact C-N 3.34Å; S109-E112 PolarHBondContact O-N 3.17Å; S109-V113 PolarHBondContact O-N 3.04Å
110V90.9Very high89.5Confident1 Ų158.4 Ų58.41%0.00630%0.298CS..Hα-helixtrans-65.8-40.5177178.60000110.3F8 I105 H107 G108 E112 V113 L114F8-V110 HydrophobicContact CD1-CG1 3.89Å; F8-V110 HydrophobicContact CE1-CB 4.17Å; F8-V110 HydrophobicContact CE1-CG1 3.85Å; F8-V110 HydrophobicContact CE1-CG2 4.07Å; I105-V110 HydrophobicContact CB-CG2 4.43Å; I105-V110 HydrophobicContact CG2-CG2 3.81Å; H107-V110 VanDerWaalsContact O-CB 3.28Å; H107-V110 WeakPolarHBondContact O-CB 3.37Å; H107-V110 PolarHBondContact O-N 2.99Å; G108-V110 VanDerWaalsContact C-N 3.28Å; G108-V110 PolarHBondContact O-N 3.43Å; V110-E112 VanDerWaalsContact C-N 3.33Å; V110-E112 PolarHBondContact O-N 2.86Å; V110-V113 PolarHBondContact O-N 3.06Å; V110-L114 HydrophobicContact CG1-CD1 3.86Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.05Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.18Å; V110-L114 PolarHBondContact O-N 2.94Å
111H91.2Very high89.5Confident82 Ų8257.2 Ų57.238%0.3829%0.293SS..Hα-helixtrans-65-35.7178.4-64.2-74.6000112.8S87 G108 S109 L114 R115S87-H111 PolarHBondContact O-CE1 3.25Å; G108-H111 WeakPolarHBondContact O-CB 3.26Å; G108-H111 PolarHBondContact O-N 3.45Å; G108-H111 VanDerWaalsContact O-N 3.14Å; S109-H111 VanDerWaalsContact C-N 3.34Å; H111-L114 PolarHBondContact O-N 2.99Å; H111-R115 VanDerWaalsContact O-CB 3.3Å; H111-R115 WeakPolarHBondContact O-CB 3.34Å; H111-R115 PolarHBondContact O-N 3.39Å
112E88.4Confident89.3Confident71 Ų7156.8 Ų56.833%0.33228%0.284SS..Hα-helixtrans-67.8-41.9175.9-66-54.9143.600111.6F31 G108 S109 V110 R115 V116F31-E112 HydrophobicContact CE2-CB 4.08Å; F31-E112 HydrophobicContact CZ-CB 3.71Å; G108-E112 PolarHBondContact O-N 2.99Å; S109-E112 PolarHBondContact O-N 3.17Å; V110-E112 VanDerWaalsContact C-N 3.33Å; V110-E112 PolarHBondContact O-N 2.86Å; E112-R115 WeakPolarHBondContact O-CB 3.47Å; E112-R115 PolarHBondContact O-N 2.94Å; E112-R115 IonicContact OE1-CZ 3.71Å; E112-R115 IonicContact OE1-NH1 2.86Å; E112-R115 PolarHBondContact OE1-NH1 2.87Å; E112-R115 IonicContact OE2-CZ 3.74Å; E112-R115 IonicContact OE2-NH1 2.8Å; E112-R115 PolarHBondContact OE2-NH1 3.43Å; E112-V116 WeakPolarHBondContact O-CG2 3.36Å; E112-V116 PolarHBondContact O-N 3.39Å
113V91.2Very high88.9Confident1 Ų161.6 Ų61.61%0.00630%0.301CS..Hα-helixtrans-60.7-48.5172.3172.40000111.1F8 V21 F24 S109 V110 R115 V116 I117F8-V113 HydrophobicContact CD1-CB 4.19Å; F8-V113 HydrophobicContact CD1-CG1 3.78Å; F8-V113 HydrophobicContact CD2-CG1 4.1Å; F8-V113 HydrophobicContact CE1-CB 3.97Å; F8-V113 HydrophobicContact CE1-CG1 3.9Å; F8-V113 HydrophobicContact CE1-CG2 4.25Å; F8-V113 HydrophobicContact CE2-CG1 4.21Å; F8-V113 HydrophobicContact CG-CG1 3.9Å; F8-V113 HydrophobicContact CZ-CB 4.37Å; F8-V113 HydrophobicContact CZ-CG1 4.13Å; F8-V113 HydrophobicContact CZ-CG2 4.25Å; V21-V113 HydrophobicContact CG2-CG1 3.67Å; F24-V113 HydrophobicContact CD2-CG2 4.25Å; F24-V113 HydrophobicContact CE2-CG2 3.96Å; S109-V113 PolarHBondContact O-N 3.04Å; V110-V113 PolarHBondContact O-N 3.06Å; V113-R115 VanDerWaalsContact C-N 3.26Å; V113-R115 PolarHBondContact O-N 3.37Å; V113-V116 WeakPolarHBondContact O-CB 3.21Å; V113-V116 PolarHBondContact O-N 3.33Å; V113-V116 VanDerWaalsContact O-N 3.12Å; V113-I117 HydrophobicContact CG1-CD1 3.99Å; V113-I117 WeakPolarHBondContact O-CG1 3.49Å; V113-I117 PolarHBondContact O-N 2.96Å
114L92.5Very high88.4Confident4 Ų455.6 Ų55.62%0.02127%0.273CS..Hα-helixtrans-63.4-31.4178-69.7172.4000112.3F8 L9 F10 V110 H111 I117 R118F8-L114 HydrophobicContact CB-CD2 4.4Å; L9-L114 WeakPolarHBondContact O-CD2 3.29Å; F10-L114 HydrophobicContact CB-CD2 4.41Å; F10-L114 HydrophobicContact CD2-CD2 3.99Å; V110-L114 HydrophobicContact CG1-CD1 3.86Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.05Å; V110-L114 VanDerWaalsContact O-CG 3.31Å; V110-L114 WeakPolarHBondContact O-CG 3.18Å; V110-L114 PolarHBondContact O-N 2.94Å; H111-L114 PolarHBondContact O-N 2.99Å; L114-I117 HydrophobicContact CD2-CD1 4.25Å; L114-I117 PolarHBondContact O-N 3.14Å; L114-R118 WeakPolarHBondContact O-CB 3.42Å; L114-R118 PolarHBondContact O-N 3.11Å
115R90.7Very high87.6Confident139 Ų13955.2 Ų55.253%0.52527%0.271SS..Hα-helixtrans-63.2-45.2172.3176.5-174.5-85.2158.8-5.4110.8H111 E112 V113 R118 Q119H111-R115 VanDerWaalsContact O-CB 3.3Å; H111-R115 WeakPolarHBondContact O-CB 3.34Å; H111-R115 PolarHBondContact O-N 3.39Å; E112-R115 WeakPolarHBondContact O-CB 3.47Å; E112-R115 PolarHBondContact O-N 2.94Å; E112-R115 IonicContact OE1-CZ 3.71Å; E112-R115 IonicContact OE1-NH1 2.86Å; E112-R115 PolarHBondContact OE1-NH1 2.87Å; E112-R115 IonicContact OE2-CZ 3.74Å; E112-R115 IonicContact OE2-NH1 2.8Å; E112-R115 PolarHBondContact OE2-NH1 3.43Å; V113-R115 VanDerWaalsContact C-N 3.26Å; V113-R115 PolarHBondContact O-N 3.37Å; R115-R118 PolarHBondContact O-N 2.94Å; R115-Q119 PolarHBondContact O-N 3.24Å
116V90.1Very high86.7Confident26 Ų2660.8 Ų60.816%0.15829%0.289CS..Hα-helixtrans-63.2-43.7175.7177.40000111.2F31 P35 F38 I39 E112 V113 R118 Q119 S120F31-V116 HydrophobicContact CD1-CG2 3.98Å; F31-V116 HydrophobicContact CE1-CG2 4.03Å; P35-V116 HydrophobicContact CB-CG1 3.9Å; F38-V116 HydrophobicContact CE2-CG1 4.38Å; F38-V116 HydrophobicContact CZ-CG1 4.04Å; I39-V116 HydrophobicContact CD1-CB 4.26Å; I39-V116 HydrophobicContact CD1-CG1 3.75Å; E112-V116 WeakPolarHBondContact O-CG2 3.36Å; E112-V116 PolarHBondContact O-N 3.39Å; V113-V116 WeakPolarHBondContact O-CB 3.21Å; V113-V116 PolarHBondContact O-N 3.33Å; V113-V116 VanDerWaalsContact O-N 3.12Å; V116-R118 VanDerWaalsContact C-N 3.33Å; V116-R118 PolarHBondContact O-N 3.33Å; V116-Q119 PolarHBondContact O-N 2.98Å; V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 2.88Å; V116-S120 PolarHBondContact O-OG 3.15Å
117I90.7Very high85.5Confident0 Ų061.5 Ų61.50%031%0.306CS..Hα-helixtrans-58.5-46.6175.3-66.3169.6000110.1F8 F10 F19 I39 V113 L114 Q119 S120 F121 L124F8-I117 HydrophobicContact CB-CD1 4.2Å; F10-I117 HydrophobicContact CB-CG2 4.21Å; F10-I117 HydrophobicContact CD1-CG2 4.14Å; F10-I117 HydrophobicContact CD2-CB 4.25Å; F10-I117 HydrophobicContact CD2-CG2 3.63Å; F10-I117 HydrophobicContact CE1-CG2 4.44Å; F10-I117 HydrophobicContact CE2-CB 4.48Å; F10-I117 HydrophobicContact CE2-CG2 3.98Å; F10-I117 HydrophobicContact CG-CG2 3.73Å; F10-I117 HydrophobicContact CZ-CG2 4.36Å; F19-I117 HydrophobicContact CB-CD1 3.8Å; F19-I117 HydrophobicContact CD2-CD1 4Å; F19-I117 HydrophobicContact CD2-CG2 3.88Å; F19-I117 HydrophobicContact CE1-CG2 4.37Å; F19-I117 HydrophobicContact CE2-CG2 3.67Å; F19-I117 HydrophobicContact CG-CD1 3.94Å; F19-I117 HydrophobicContact CG-CG1 4.42Å; F19-I117 HydrophobicContact CG-CG2 4.31Å; F19-I117 HydrophobicContact CZ-CG2 3.93Å; I39-I117 HydrophobicContact CD1-CG1 3.7Å; I39-I117 HydrophobicContact CG2-CD1 4.49Å; I39-I117 HydrophobicContact CG2-CG1 4.15Å; V113-I117 HydrophobicContact CG1-CD1 3.99Å; V113-I117 WeakPolarHBondContact O-CG1 3.49Å; V113-I117 PolarHBondContact O-N 2.96Å; L114-I117 HydrophobicContact CD2-CD1 4.25Å; L114-I117 PolarHBondContact O-N 3.14Å; I117-Q119 PolarHBondContact O-N 3.44Å; I117-S120 CarbonylContact O-C 3.51Å; I117-S120 PolarHBondContact O-N 2.91Å; I117-F121 WeakPolarHBondContact O-CA 3.35Å; I117-F121 WeakPolarHBondContact O-CB 3.34Å; I117-F121 PolarHBondContact O-N 3.1Å; I117-L124 HydrophobicContact CG2-CD1 4.48Å
118R89.3Confident84.4Confident137 Ų13758.3 Ų58.352%0.51729%0.293SS..Hα-helixtrans-60.6-44.7179.6-169.5-178-62.11170.7112.3F10 L114 R115 V116 S120F10-R118 HydrophobicContact CE2-CB 3.97Å; F10-R118 HydrophobicContact CE2-CG 4.49Å; F10-R118 HydrophobicContact CZ-CB 4.1Å; F10-R118 HydrophobicContact CZ-CG 4.28Å; L114-R118 WeakPolarHBondContact O-CB 3.42Å; L114-R118 PolarHBondContact O-N 3.11Å; R115-R118 PolarHBondContact O-N 2.94Å; V116-R118 VanDerWaalsContact C-N 3.33Å; V116-R118 PolarHBondContact O-N 3.33Å; R118-S120 VanDerWaalsContact C-N 3.31Å; R118-S120 PolarHBondContact O-N 2.81Å
119Q87.5Confident83.1Confident169 Ų16958.3 Ų58.379%0.7928%0.28SS*.Hα-helixtrans-67.6-32.9179.3-172.9175.52.400112.3R115 V116 I117R115-Q119 PolarHBondContact O-N 3.24Å; V116-Q119 PolarHBondContact O-N 2.98Å; I117-Q119 PolarHBondContact O-N 3.44Å
120S86.3Confident81.2Confident14 Ų1462.1 Ų62.110%0.09830%0.301CS..Hα-helixtrans-103.57.9-176-560000113.8P35 V116 I117 R118 A122 R123 L124P35-S120 WeakPolarHBondContact CG-OG 3.44Å; V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 2.88Å; V116-S120 PolarHBondContact O-OG 3.15Å; I117-S120 CarbonylContact O-C 3.51Å; I117-S120 PolarHBondContact O-N 2.91Å; R118-S120 VanDerWaalsContact C-N 3.31Å; R118-S120 PolarHBondContact O-N 2.81Å; S120-A122 PolarHBondContact O-N 3.02Å; S120-R123 WeakPolarHBondContact O-CA 3.12Å; S120-R123 WeakPolarHBondContact O-CB 3.17Å; S120-R123 PolarHBondContact O-N 3.43Å; S120-L124 WeakPolarHBondContact O-CG 3.17Å; S120-L124 PolarHBondContact O-N 3.3Å
121F85.3Confident79Confident4 Ų468.3 Ų68.32%0.01833%0.33CS..Hα-helixtrans-54.4-53.9-167.5-179-102.4000111.7F10 H12 F19 F44 I117 R123 L124 T125 I129F10-F121 AromaticContact CD1-CD2 3.7Å; F10-F121 HydrophobicContact CD1-CD2 3.7Å; F10-F121 AromaticContact CD1-CE2 3.61Å; F10-F121 HydrophobicContact CD1-CE2 3.61Å; F10-F121 AromaticContact CE1-CD2 3.3Å; F10-F121 HydrophobicContact CE1-CD2 3.3Å; F10-F121 AromaticContact CE1-CE2 3.49Å; F10-F121 HydrophobicContact CE1-CE2 3.49Å; F10-F121 VanDerWaalsContact CE1-CE2 3.49Å; F10-F121 HydrophobicContact CE1-CG 4.03Å; F10-F121 HydrophobicContact CE1-CZ 4.37Å; F10-F121 HydrophobicContact CZ-CD2 4.16Å; H12-F121 HydrophobicContact CB-CE2 4.23Å; H12-F121 HydrophobicContact CB-CZ 3.97Å; H12-F121 AromaticContact CD2-CE1 3.72Å; H12-F121 AromaticContact CD2-CZ 3.83Å; H12-F121 AromaticContact CE1-CE1 3.45Å; H12-F121 VanDerWaalsContact CE1-CE1 3.45Å; H12-F121 WeakPolarHBondContact CE1-CE1 3.34Å; H12-F121 AromaticContact CE1-CZ 3.94Å; H12-F121 AromaticContact CG-CE1 3.74Å; H12-F121 AromaticContact CG-CZ 3.49Å; H12-F121 VanDerWaalsContact CG-CZ 3.49Å; H12-F121 AromaticContact ND1-CE1 3.59Å; H12-F121 AromaticContact ND1-CZ 3.58Å; H12-F121 AromaticContact NE2-CD1 3.89Å; H12-F121 AromaticContact NE2-CE1 3.59Å; F19-F121 HydrophobicContact CZ-CD2 4.23Å; F19-F121 HydrophobicContact CZ-CE2 4.22Å; F44-F121 HydrophobicContact CD2-CZ 4.47Å; F44-F121 AromaticContact CE2-CE2 3.91Å; F44-F121 HydrophobicContact CE2-CE2 3.91Å; F44-F121 AromaticContact CE2-CZ 3.62Å; F44-F121 HydrophobicContact CE2-CZ 3.62Å; F44-F121 HydrophobicContact CZ-CZ 4.09Å; I117-F121 WeakPolarHBondContact O-CA 3.35Å; I117-F121 WeakPolarHBondContact O-CB 3.34Å; I117-F121 PolarHBondContact O-N 3.1Å; F121-R123 PolarHBondContact O-N 3.4Å; F121-L124 PolarHBondContact O-N 3.04Å; F121-L124 VanDerWaalsContact O-N 3.08Å; F121-T125 HydrophobicContact CD2-CG2 3.72Å; F121-T125 HydrophobicContact CE1-CG2 4.26Å; F121-T125 HydrophobicContact CE2-CG2 3.38Å; F121-T125 HydrophobicContact CG-CG2 4.31Å; F121-T125 HydrophobicContact CZ-CG2 3.68Å; F121-T125 PolarHBondContact O-N 3.28Å; F121-T125 PolarHBondContact O-OG1 3.13Å; F121-I129 HydrophobicContact CE1-CD1 4.39Å; F121-I129 HydrophobicContact CZ-CD1 4.5Å
122A79.8Confident76.4Confident53 Ų5367.9 Ų67.944%0.43834%0.335SS..Hα-helixtrans-60.4-16.9179.600000114.7S120 R126S120-A122 PolarHBondContact O-N 3.02Å; A122-R126 WeakPolarHBondContact O-CG 3.18Å; A122-R126 PolarHBondContact O-NE 3.07Å
123R81.4Confident74.2Confident117 Ų11765.8 Ų65.844%0.44233%0.332SS..Hα-helixtrans-93-42.5173.9-64.3177.768.2-157.20.7111.4H34 S120 F121H34-R123 PolarHBondContact CE1-NH1 2.91Å; H34-R123 PolarHBondContact CE1-NH2 2.8Å; H34-R123 PolarHBondContact NE2-NH1 3.36Å; H34-R123 PolarHBondContact NE2-NH2 3.45Å; S120-R123 WeakPolarHBondContact O-CA 3.12Å; S120-R123 WeakPolarHBondContact O-CB 3.17Å; S120-R123 PolarHBondContact O-N 3.43Å; F121-R123 PolarHBondContact O-N 3.4Å
124L80.8Confident71.7Confident7 Ų770.2 Ų70.24%0.03737%0.368CS..Hα-helixtrans-68.7-34.5-178.3-69.7170.3000112.3F19 N36 I39 P41 I117 S120 F121F19-L124 HydrophobicContact CE1-CB 3.95Å; F19-L124 HydrophobicContact CE1-CD1 4.3Å; N36-L124 WeakPolarHBondContact OD1-CD2 3.29Å; I39-L124 HydrophobicContact CB-CD1 4.49Å; I39-L124 HydrophobicContact CB-CD2 4.21Å; I39-L124 HydrophobicContact CD1-CD1 4.49Å; I39-L124 HydrophobicContact CG2-CD1 4.05Å; I39-L124 HydrophobicContact CG2-CD2 4.28Å; P41-L124 WeakPolarHBondContact CG-O 3.3Å; I117-L124 HydrophobicContact CG2-CD1 4.48Å; S120-L124 WeakPolarHBondContact O-CG 3.17Å; S120-L124 PolarHBondContact O-N 3.3Å; F121-L124 PolarHBondContact O-N 3.04Å; F121-L124 VanDerWaalsContact O-N 3.08Å
125T75.7Confident69.5Low3 Ų374.4 Ų74.42%0.01840%0.404CS..G310 helixtrans-91.90.5-17557.10000114.2F19 F121 S127 L128 I129F19-T125 HydrophobicContact CE1-CG2 4.23Å; F19-T125 HydrophobicContact CZ-CG2 3.78Å; F121-T125 HydrophobicContact CD2-CG2 3.72Å; F121-T125 HydrophobicContact CE1-CG2 4.26Å; F121-T125 HydrophobicContact CE2-CG2 3.38Å; F121-T125 HydrophobicContact CG-CG2 4.31Å; F121-T125 HydrophobicContact CZ-CG2 3.68Å; F121-T125 PolarHBondContact O-N 3.28Å; F121-T125 PolarHBondContact O-OG1 3.13Å; T125-S127 PolarHBondContact O-N 3.24Å; T125-S127 VanDerWaalsContact O-N 3.11Å; T125-L128 PolarHBondContact O-N 2.8Å; T125-I129 VanDerWaalsContact CB-CD1 3.41Å; T125-I129 HydrophobicContact CG2-CD1 4.3Å; T125-I129 WeakPolarHBondContact O-CB 3.45Å; T125-I129 WeakPolarHBondContact O-CG1 3.44Å; T125-I129 PolarHBondContact O-N 3.31Å; T125-I129 WeakPolarHBondContact OG1-CD1 3.44Å
126R72.6Confident67.1Low153 Ų15373.1 Ų73.158%0.57741%0.407SS*.G310 helixtrans-54.2-33.3176.9-68.4-174-177.5178.7-3.1113A122A122-R126 WeakPolarHBondContact O-CG 3.18Å; A122-R126 PolarHBondContact O-NE 3.07Å
127S67.3Low64.6Low93 Ų9375.4 Ų75.465%0.6542%0.424SS*.G310 helixtrans-81-19.1178.858.80000114T125T125-S127 PolarHBondContact O-N 3.24Å; T125-S127 VanDerWaalsContact O-N 3.11Å
128L64.1Low61.9Low49 Ų4982.5 Ų82.526%0.25746%0.461SS..THydrogen-bonded Turntrans-103.5-27.1-177.9-66.8-171.3000113.2P41 F44 T125 T130P41-L128 HydrophobicContact CB-CD1 3.54Å; P41-L128 HydrophobicContact CB-CG 3.93Å; P41-L128 HydrophobicContact CG-CG 4.47Å; F44-L128 HydrophobicContact CB-CB 4.07Å; F44-L128 HydrophobicContact CB-CD1 3.83Å; T125-L128 PolarHBondContact O-N 2.8Å; L128-T130 PolarHBondContact O-N 3.1Å
129I60.7Low59.2Low53 Ų5381.6 Ų81.627%0.27247%0.473SS..  trans-93.381.8-178.7-56.7176.3000108.1F121 T125 Q131 P132F121-I129 HydrophobicContact CE1-CD1 4.39Å; F121-I129 HydrophobicContact CZ-CD1 4.5Å; T125-I129 VanDerWaalsContact CB-CD1 3.41Å; T125-I129 HydrophobicContact CG2-CD1 4.3Å; T125-I129 WeakPolarHBondContact O-CB 3.45Å; T125-I129 WeakPolarHBondContact O-CG1 3.44Å; T125-I129 PolarHBondContact O-N 3.31Å; T125-I129 WeakPolarHBondContact OG1-CD1 3.44Å; I129-Q131 PolarHBondContact O-N 3.46Å; I129-P132 HydrophobicContact CG2-CG 4.43Å
130T49.7Very low56.9Low129 Ų12981.7 Ų81.779%0.79148%0.475SS*.  trans-69.9118150.535.40000106.1L128 P132L128-T130 PolarHBondContact O-N 3.1Å; T130-P132 VanDerWaalsContact O-CD 3.28Å; T130-P132 WeakPolarHBondContact O-CD 3.24Å; T130-P132 VanDerWaalsContact O-N 3.16Å
131Q44.3Very low54.7Low131 Ų13188.8 Ų88.861%0.61251%0.511SS*.  trans-43.1115.7-161.7-61.1-160.714.500115.1I129I129-Q131 PolarHBondContact O-N 3.46Å
132P35.5Very low52.4Low73 Ų7395.4 Ų95.447%0.47455%0.546SS..  trans-9888.7161.125.8-8.9000106.5H46 I129 T130H46-P132 HydrophobicContact CB-CB 4.38Å; H46-P132 HydrophobicContact CB-CG 4.18Å; H46-P132 WeakPolarHBondContact CD2-CG 3.49Å; H46-P132 VanDerWaalsContact CG-CG 3.45Å; H46-P132 WeakPolarHBondContact NE2-CG 3.18Å; I129-P132 HydrophobicContact CG2-CG 4.43Å; T130-P132 VanDerWaalsContact O-CD 3.28Å; T130-P132 WeakPolarHBondContact O-CD 3.24Å; T130-P132 VanDerWaalsContact O-N 3.16Å
133G42.3Very low50.3Low26 Ų2699.4 Ų99.427%0.26856%0.556SS.*  trans-147.8-20-172.600000116.2A135 L136G133-A135 PolarHBondContact O-N 2.78Å; G133-A135 VanDerWaalsContact O-N 3.14Å; G133-L136 PolarHBondContact O-N 3.35Å
134A40.2Very low48.1Very low94 Ų94102.2 Ų102.278%0.77757%0.571SS**THydrogen-bonded Turntrans-63.3-20.6178.800000113.3S137A134-S137 PolarHBondContact O-OG 2.89Å
135A44.7Very low46.4Very low92 Ų92109.2 Ų109.276%0.7661%0.608SS**THydrogen-bonded Turntrans-83-15.8-17900000114.6G133G133-A135 PolarHBondContact O-N 2.78Å; G133-A135 VanDerWaalsContact O-N 3.14Å
136L40.3Very low44.4Very low112 Ų112119.2 Ų119.259%0.58665%0.651SS**THydrogen-bonded Turntrans-113.4-2-178.3-63.8177.3000113.7V50 G133 L138V50-L136 HydrophobicContact CG2-CD2 3.62Å; G133-L136 PolarHBondContact O-N 3.35Å; L136-L138 PolarHBondContact O-N 2.96Å
137S37.2Very low42.8Very low74 Ų74117.6 Ų117.652%0.51765%0.653SS.*  trans-79.996.9167.954.30000109.7A134A134-S137 PolarHBondContact O-OG 2.89Å
138L34.9Very low41.4Very low150 Ų150118 Ų11879%0.78566%0.656SS**  trans-53135155.8-78.1158.8000108.1L136 M140L136-L138 PolarHBondContact O-N 2.96Å; L138-M140 PolarHBondContact O-N 3.38Å
139P33.7Very low40.2Very low117 Ų117121.2 Ų121.276%0.7668%0.678SS**  trans-67.5100.2178.628.1-30.7000107.4I141P139-I141 PolarHBondContact O-N 3.19Å; P139-I141 VanDerWaalsContact O-N 3.14Å
140M38.5Very low39.4Very low172 Ų172124.2 Ų124.285%0.84770%0.703SS**  trans-69.7107.8160.2-83.6-72.9159.300105.9L138 D142L138-M140 PolarHBondContact O-N 3.38Å; M140-D142 VanDerWaalsContact C-N 3.29Å; M140-D142 PolarHBondContact O-N 3.46Å
141I39.4Very low39.2Very low163 Ų163122.1 Ų122.184%0.83670%0.7SS**  trans-53.595.1163.5-61.3161.4000106.3P139P139-I141 PolarHBondContact O-N 3.19Å; P139-I141 VanDerWaalsContact O-N 3.14Å
142D37Very low39.1Very low143 Ų143119.8 Ų119.877%0.76569%0.691SS**  trans-164.4154.1144.2-125.3-19.8000113.4M140M140-D142 VanDerWaalsContact C-N 3.29Å; M140-D142 PolarHBondContact O-N 3.46Å
143E35.5Very low39.3Very low136 Ų136123.5 Ų123.564%0.63670%0.702SS**  trans-73.3150.3-154.9-66.4-179.296.300117.3
144K34.8Very low39.3Very low176 Ų176127.6 Ų127.677%0.76572%0.717SS**  trans4286138.2-62.6169.2-175.8146.90117.9
145L46.5Very low39.5Very low154 Ų154129.4 Ų129.481%0.80671%0.708SS**  trans-142107.1150-76.9174.7000110.9L147L145-L147 HydrophobicContact CB-CD1 4.25Å; L145-L147 PolarHBondContact O-N 3.16Å
146K32.6Very low39.9Very low213 Ų213127.7 Ų127.793%0.92669%0.689SS**  trans-58.1119.9159.4-81.4174.9172.41770107.8
147L40.4Very low40.9Very low119 Ų119124.4 Ų124.462%0.62368%0.682SS**  trans-108.7105.4163.1-100.685.6000109.6L145 D152L145-L147 HydrophobicContact CB-CD1 4.25Å; L145-L147 PolarHBondContact O-N 3.16Å; L147-D152 HydrophobicContact CD2-CB 3.76Å
148S36.4Very low42.3Very low103 Ų103124.4 Ų124.472%0.7268%0.68SS**  trans-75.6150.8154.548.70000109.4
149T39.8Very low44.1Very low115 Ų115121.3 Ų121.371%0.70666%0.664SS**SBendtrans88.6110.5173-8.10000116A151T149-A151 PolarHBondContact O-N 3.28Å
150S43.6Very low45.9Very low116 Ų116118 Ų11881%0.81165%0.647SS**THydrogen-bonded Turntrans-60.17.5-173.545.40000117.3
151A45.7Very low47.6Very low86 Ų86111.4 Ų111.471%0.71161%0.613SS**THydrogen-bonded Turntrans-94.3-18.2-178.700000113.8T149T149-A151 PolarHBondContact O-N 3.28Å
152D41.3Very low49.5Very low81 Ų81106.4 Ų106.443%0.43359%0.593SS.*SBendtrans-98.60.8-177.8-105.2-34.2000114.7L147 L154 K155L147-D152 HydrophobicContact CD2-CB 3.76Å; D152-L154 PolarHBondContact O-N 3.41Å; D152-K155 IonicContact OD1-NZ 2.92Å; D152-K155 PolarHBondContact OD1-NZ 3.02Å
153E39.9Very low51.6Low151 Ų151107.1 Ų107.171%0.70659%0.585SS**THydrogen-bonded Turntrans-75.73.3174.7-69-158.2160.100114.4P156E153-P156 WeakPolarHBondContact O-CD 3.34Å
154L42.1Very low53.8Low112 Ų112101.3 Ų101.359%0.58656%0.56SS**THydrogen-bonded Turntrans-85.1-8.2-178.3-128.389000114.6D152 P156D152-L154 PolarHBondContact O-N 3.41Å; L154-P156 VanDerWaalsContact C-CD 3.43Å
155K44.9Very low56.3Low132 Ų13298.2 Ų98.257%0.57454%0.544SS*.SBendtrans-83.5-16.3-176.4-70.7171.1-177.31490117.5D152 G157D152-K155 IonicContact OD1-NZ 2.92Å; D152-K155 PolarHBondContact OD1-NZ 3.02Å; K155-G157 VanDerWaalsContact C-N 3.35Å; K155-G157 PolarHBondContact O-N 2.95Å
156P52.4Low58.3Low56 Ų5695.2 Ų95.236%0.36453%0.532SS..Hα-helixtrans-77.3-17177.826.7-25.3000113.7E153 L154 A160E153-P156 WeakPolarHBondContact O-CD 3.34Å; L154-P156 VanDerWaalsContact C-CD 3.43Å; P156-A160 WeakPolarHBondContact O-CB 3.4Å; P156-A160 PolarHBondContact O-N 3.44Å
157G62Low60.9Low43 Ų4388.4 Ų88.444%0.44351%0.508SS..Hα-helixtrans-63.6-61.5179.800000115.1K155 I159 A160 E161K155-G157 VanDerWaalsContact C-N 3.35Å; K155-G157 PolarHBondContact O-N 2.95Å; G157-I159 VanDerWaalsContact C-N 3.34Å; G157-I159 PolarHBondContact O-N 3.08Å; G157-A160 PolarHBondContact O-N 2.62Å; G157-E161 WeakPolarHBondContact O-CB 3.34Å; G157-E161 PolarHBondContact O-N 3.31Å
158P67.4Low63.2Low75 Ų7583 Ų8349%0.48748%0.48SS..Hα-helixtrans-70.2-30.4-175.427-34.5000112.8S162P158-S162 WeakPolarHBondContact O-CB 3.31Å; P158-S162 PolarHBondContact O-N 2.95Å; P158-S162 PolarHBondContact O-OG 2.77Å
159I72.3Confident65.7Low84 Ų8481.2 Ų81.243%0.43147%0.467SS..Hα-helixtrans-72.1-42.9177-61.4175.4000110.2G157 E161 S162 R163G157-I159 VanDerWaalsContact C-N 3.34Å; G157-I159 PolarHBondContact O-N 3.08Å; I159-E161 VanDerWaalsContact C-N 3.34Å; I159-S162 WeakPolarHBondContact CA-OG 3.45Å; I159-S162 PolarHBondContact O-N 2.75Å; I159-S162 PolarHBondContact O-OG 3.45Å; I159-R163 HydrophobicContact CG2-CG 4.42Å; I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 WeakPolarHBondContact O-CG 3.36Å; I159-R163 PolarHBondContact O-N 2.94Å
160A71.2Confident68.1Low49 Ų4979.4 Ų79.441%0.40545%0.453SS..Hα-helixtrans-63.7-41.7175.400000111.5P156 G157 R163 A164P156-A160 WeakPolarHBondContact O-CB 3.4Å; P156-A160 PolarHBondContact O-N 3.44Å; G157-A160 PolarHBondContact O-N 2.62Å; A160-R163 PolarHBondContact O-N 3.46Å; A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.04Å
161E73.7Confident70.1Confident32 Ų3275.1 Ų75.115%0.1542%0.424CS..Hα-helixtrans-61.3-49.3176.1-179.7-179.7156.400111.9H12 G157 I159 R163 A164 R165H12-E161 IonicContact CE1-OE1 3.83Å; H12-E161 IonicContact NE2-OE1 3.13Å; H12-E161 PolarHBondContact NE2-OE1 3.28Å; G157-E161 WeakPolarHBondContact O-CB 3.34Å; G157-E161 PolarHBondContact O-N 3.31Å; I159-E161 VanDerWaalsContact C-N 3.34Å; E161-R163 VanDerWaalsContact C-N 3.33Å; E161-R163 PolarHBondContact O-N 2.91Å; E161-A164 PolarHBondContact O-N 2.93Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.49Å; E161-R165 IonicContact OE1-CZ 3.72Å; E161-R165 IonicContact OE1-NE 3.86Å; E161-R165 IonicContact OE1-NH1 2.63Å; E161-R165 IonicContact OE1-NH2 2.94Å; E161-R165 PolarHBondContact OE1-NH2 3.15Å
162S79.6Confident72.1Confident59 Ų5974.1 Ų74.141%0.41340%0.402SS..Hα-helixtrans-62.8-39177.5550000112.3P158 I159 R165 V166P158-S162 WeakPolarHBondContact O-CB 3.31Å; P158-S162 PolarHBondContact O-N 2.95Å; P158-S162 PolarHBondContact O-OG 2.77Å; I159-S162 WeakPolarHBondContact CA-OG 3.45Å; I159-S162 PolarHBondContact O-N 2.75Å; I159-S162 PolarHBondContact O-OG 3.45Å; S162-R165 WeakPolarHBondContact O-CB 3.23Å; S162-R165 PolarHBondContact O-N 2.96Å; S162-V166 WeakPolarHBondContact O-CG2 3.42Å; S162-V166 PolarHBondContact O-N 3.45Å; S162-V166 VanDerWaalsContact O-N 3.09Å
163R82Confident74.2Confident158 Ų15872.1 Ų72.160%0.59640%0.397SS*.Hα-helixtrans-62.7-46.9172.7-74.1174.1-179.9-176.91.5111.9I159 A160 E161 R165 V166 V167I159-R163 HydrophobicContact CG2-CG 4.42Å; I159-R163 WeakPolarHBondContact O-CB 3.48Å; I159-R163 WeakPolarHBondContact O-CG 3.36Å; I159-R163 PolarHBondContact O-N 2.94Å; A160-R163 PolarHBondContact O-N 3.46Å; E161-R163 VanDerWaalsContact C-N 3.33Å; E161-R163 PolarHBondContact O-N 2.91Å; R163-R165 VanDerWaalsContact C-N 3.3Å; R163-R165 PolarHBondContact O-N 3.46Å; R163-V166 PolarHBondContact O-N 3.31Å; R163-V167 WeakPolarHBondContact O-CB 3.5Å; R163-V167 VanDerWaalsContact O-CG2 3.29Å; R163-V167 WeakPolarHBondContact O-CG2 3.25Å; R163-V167 PolarHBondContact O-N 2.92Å
164A81.8Confident76.3Confident13 Ų1370.5 Ų70.511%0.10738%0.384CS..Hα-helixtrans-60.3-41.4177.700000111.4I13 T14 A160 E161 V166 V167 V168I13-A164 HydrophobicContact CG2-CB 4.25Å; T14-A164 HydrophobicContact CG2-CB 4.26Å; A160-A164 WeakPolarHBondContact O-CB 3.35Å; A160-A164 PolarHBondContact O-N 3.04Å; E161-A164 PolarHBondContact O-N 2.93Å; A164-V166 PolarHBondContact O-N 3.48Å; A164-V167 PolarHBondContact O-N 2.77Å; A164-V168 WeakPolarHBondContact O-CB 3.37Å; A164-V168 WeakPolarHBondContact O-CG2 3.42Å; A164-V168 PolarHBondContact O-N 3.33Å
165R86.1Confident78.1Confident111 Ų11170.5 Ų70.542%0.41938%0.384SS..Hα-helixtrans-54.3-53.2172-72.1-178.3-178.4171.40.7111.8H12 I13 E161 S162 R163 S169H12-R165 PolarHBondContact NE2-NH2 2.93Å; I13-R165 HydrophobicContact CB-CG 4.17Å; I13-R165 HydrophobicContact CG1-CG 4.45Å; I13-R165 HydrophobicContact CG2-CG 3.63Å; E161-R165 WeakPolarHBondContact O-CG 3.35Å; E161-R165 PolarHBondContact O-N 3.49Å; E161-R165 IonicContact OE1-CZ 3.72Å; E161-R165 IonicContact OE1-NE 3.86Å; E161-R165 IonicContact OE1-NH1 2.63Å; E161-R165 IonicContact OE1-NH2 2.94Å; E161-R165 PolarHBondContact OE1-NH2 3.15Å; S162-R165 WeakPolarHBondContact O-CB 3.23Å; S162-R165 PolarHBondContact O-N 2.96Å; R163-R165 VanDerWaalsContact C-N 3.3Å; R163-R165 PolarHBondContact O-N 3.46Å; R165-S169 WeakPolarHBondContact O-CB 3.49Å; R165-S169 PolarHBondContact O-N 3.4Å; R165-S169 PolarHBondContact O-OG 3.1Å
166V89.3Confident79.7Confident91 Ų9169.5 Ų69.555%0.55238%0.382SS*.Hα-helixtrans-63.2-45.3-179.41750000111.2S162 R163 A164 S169 L170S162-V166 WeakPolarHBondContact O-CG2 3.42Å; S162-V166 PolarHBondContact O-N 3.45Å; S162-V166 VanDerWaalsContact O-N 3.09Å; R163-V166 PolarHBondContact O-N 3.31Å; A164-V166 PolarHBondContact O-N 3.48Å; V166-S169 WeakPolarHBondContact CA-OG 3.35Å; V166-S169 PolarHBondContact O-OG 2.75Å; V166-L170 WeakPolarHBondContact O-CB 3.3Å; V166-L170 PolarHBondContact O-N 3.38Å
167V88.2Confident80.7Confident70 Ų7072.5 Ų72.542%0.42439%0.394SS..Hα-helixtrans-65.3-50.2-176.6171.20000111.8V50 R163 A164 L170 A171V50-V167 HydrophobicContact CG1-CG1 3.77Å; V50-V167 HydrophobicContact CG2-CG1 3.92Å; R163-V167 WeakPolarHBondContact O-CB 3.5Å; R163-V167 VanDerWaalsContact O-CG2 3.29Å; R163-V167 WeakPolarHBondContact O-CG2 3.25Å; R163-V167 PolarHBondContact O-N 2.92Å; A164-V167 PolarHBondContact O-N 2.77Å; V167-L170 PolarHBondContact O-N 2.88Å; V167-A171 VanDerWaalsContact O-CB 3.31Å; V167-A171 WeakPolarHBondContact O-CB 3.41Å; V167-A171 PolarHBondContact O-N 3.29Å
168V88.2Confident81Confident6 Ų672.4 Ų72.44%0.03639%0.393CS..Hα-helixtrans-68.8-40.5-178.3176.20000110.9I13 V50 A53 V54 V57 A164 A171 R172I13-V168 HydrophobicContact CD1-CB 3.63Å; I13-V168 HydrophobicContact CD1-CG1 3.41Å; I13-V168 VanDerWaalsContact CD1-CG1 3.41Å; I13-V168 HydrophobicContact CD1-CG2 4.34Å; I13-V168 HydrophobicContact CG1-CB 3.79Å; I13-V168 HydrophobicContact CG1-CG1 4.05Å; I13-V168 HydrophobicContact CG1-CG2 4.04Å; V50-V168 HydrophobicContact CG1-CG2 4.22Å; A53-V168 HydrophobicContact CB-CG1 4.2Å; A53-V168 HydrophobicContact CB-CG2 3.81Å; V54-V168 HydrophobicContact CG2-CB 4.47Å; V54-V168 HydrophobicContact CG2-CG1 3.83Å; V57-V168 HydrophobicContact CG2-CG1 4.28Å; A164-V168 WeakPolarHBondContact O-CB 3.37Å; A164-V168 WeakPolarHBondContact O-CG2 3.42Å; A164-V168 PolarHBondContact O-N 3.33Å; V168-A171 PolarHBondContact O-N 2.89Å; V168-R172 WeakPolarHBondContact O-CB 3.5Å; V168-R172 PolarHBondContact O-N 3.35Å
169S89Confident80.8Confident66 Ų6671.8 Ų71.846%0.46239%0.385SS..Hα-helixtrans-63.7-42.117658.40000112.6R165 V166 R172 A173R165-S169 WeakPolarHBondContact O-CB 3.49Å; R165-S169 PolarHBondContact O-N 3.4Å; R165-S169 PolarHBondContact O-OG 3.1Å; V166-S169 WeakPolarHBondContact CA-OG 3.35Å; V166-S169 PolarHBondContact O-OG 2.75Å; S169-R172 PolarHBondContact O-N 3.34Å; S169-A173 WeakPolarHBondContact O-CB 3.3Å; S169-A173 PolarHBondContact O-N 2.72Å
170L89.1Confident80.2Confident77 Ų7776.1 Ų76.140%0.40340%0.404SS..Hα-helixtrans-66.8-42176.5176154000111.7V166 V167 A173 R174V166-L170 WeakPolarHBondContact O-CB 3.3Å; V166-L170 PolarHBondContact O-N 3.38Å; V167-L170 PolarHBondContact O-N 2.88Å; L170-A173 PolarHBondContact O-N 3.16Å; L170-R174 HydrophobicContact CD2-CG 4.46Å; L170-R174 WeakPolarHBondContact O-CG 3.43Å; L170-R174 PolarHBondContact O-N 3.01Å
171A86.6Confident79.9Confident25 Ų2578.2 Ų78.221%0.20741%0.405CS..Hα-helixtrans-62.2-44.1175.700000111.5V50 V54 V167 V168 R174 L175V50-A171 HydrophobicContact CG1-CB 4.4Å; V54-A171 HydrophobicContact CG2-CB 3.58Å; V167-A171 VanDerWaalsContact O-CB 3.31Å; V167-A171 WeakPolarHBondContact O-CB 3.41Å; V167-A171 PolarHBondContact O-N 3.29Å; V168-A171 PolarHBondContact O-N 2.89Å; A171-R174 PolarHBondContact O-N 3.28Å; A171-L175 PolarHBondContact O-N 3.43Å
172R87.5Confident79.3Confident65 Ų6581.9 Ų81.925%0.24542%0.422CS..Hα-helixtrans-60.4-46.9173.5179.5178.3170.2-137.6-10.3112.2V54 V61 V168 S169 R174 L175 Q176V54-R172 HydrophobicContact CG1-CB 4.25Å; V61-R172 VanDerWaalsContact CG2-CZ 3.49Å; V61-R172 VanDerWaalsContact CG2-NH2 3.32Å; V168-R172 WeakPolarHBondContact O-CB 3.5Å; V168-R172 PolarHBondContact O-N 3.35Å; S169-R172 PolarHBondContact O-N 3.34Å; R172-R174 VanDerWaalsContact C-N 3.27Å; R172-R174 PolarHBondContact O-N 3.47Å; R172-L175 PolarHBondContact O-N 2.9Å; R172-Q176 HydrophobicContact CG-CG 4.44Å; R172-Q176 VanDerWaalsContact NE-NE2 3.16Å; R172-Q176 WeakPolarHBondContact O-CG 3.37Å; R172-Q176 PolarHBondContact O-N 3.13Å
173A86Confident78.9Confident39 Ų3983.6 Ų83.632%0.32243%0.426SS..Hα-helixtrans-60.1-38.9178.500000111.8S169 L170 Q176 L177S169-A173 WeakPolarHBondContact O-CB 3.3Å; S169-A173 PolarHBondContact O-N 2.72Å; L170-A173 PolarHBondContact O-N 3.16Å; A173-Q176 PolarHBondContact O-N 3.21Å; A173-L177 WeakPolarHBondContact O-CB 3.45Å; A173-L177 VanDerWaalsContact O-CG 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.17Å; A173-L177 PolarHBondContact O-N 3.04Å
174R82.8Confident78.8Confident117 Ų11777.5 Ų77.544%0.44241%0.409SS..Hα-helixtrans-63.5-45175.1-75.1176.9175.7172.2-0.8112.6L170 A171 R172 L177 G178 I179L170-R174 HydrophobicContact CD2-CG 4.46Å; L170-R174 WeakPolarHBondContact O-CG 3.43Å; L170-R174 PolarHBondContact O-N 3.01Å; A171-R174 PolarHBondContact O-N 3.28Å; R172-R174 VanDerWaalsContact C-N 3.27Å; R172-R174 PolarHBondContact O-N 3.47Å; R174-L177 PolarHBondContact O-N 2.86Å; R174-G178 PolarHBondContact O-N 3.35Å; R174-I179 PolarHBondContact O-N 3.33Å
175L80.6Confident79.1Confident113 Ų11377.7 Ų77.759%0.59241%0.408SS*.Hα-helixtrans-61.7-44.3176.1-71.3178.4000111.4V54 A171 R172 L177 G178V54-L175 HydrophobicContact CG1-CD1 3.39Å; A171-L175 PolarHBondContact O-N 3.43Å; R172-L175 PolarHBondContact O-N 2.9Å; L175-L177 VanDerWaalsContact C-N 3.35Å; L175-L177 PolarHBondContact O-N 3.16Å; L175-G178 PolarHBondContact O-N 3.09Å
176Q78.2Confident79.3Confident110 Ų11075 Ų7551%0.51441%0.405SS..Hα-helixtrans-64.7-37.7-180-74.2-178.5-12.600113.3R172 A173 G178R172-Q176 HydrophobicContact CG-CG 4.44Å; R172-Q176 VanDerWaalsContact NE-NE2 3.16Å; R172-Q176 WeakPolarHBondContact O-CG 3.37Å; R172-Q176 PolarHBondContact O-N 3.13Å; A173-Q176 PolarHBondContact O-N 3.21Å; Q176-G178 VanDerWaalsContact C-N 3.27Å
177L73.1Confident79.3Confident119 Ų11971.4 Ų71.462%0.62339%0.386SS*.THydrogen-bonded Turntrans-83.1-4-179.9-65.2169000112.6A173 R174 L175 I179A173-L177 WeakPolarHBondContact O-CB 3.45Å; A173-L177 VanDerWaalsContact O-CG 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.17Å; A173-L177 PolarHBondContact O-N 3.04Å; R174-L177 PolarHBondContact O-N 2.86Å; L175-L177 VanDerWaalsContact C-N 3.35Å; L175-L177 PolarHBondContact O-N 3.16Å; L177-I179 HydrophobicContact CB-CD1 3.45Å; L177-I179 VanDerWaalsContact CB-CD1 3.45Å; L177-I179 HydrophobicContact CB-CG1 3.37Å; L177-I179 HydrophobicContact CD1-CD1 3.63Å; L177-I179 HydrophobicContact CG-CD1 4.15Å; L177-I179 WeakPolarHBondContact O-CG1 3.38Å; L177-I179 PolarHBondContact O-N 3.07Å; L177-I179 VanDerWaalsContact O-N 3.16Å
178G67.5Low79.5Confident42 Ų4268.1 Ų68.143%0.43337%0.366SS..THydrogen-bonded Turntrans61.321.1-178.200000113.9R174 L175 Q176 E180R174-G178 PolarHBondContact O-N 3.35Å; L175-G178 PolarHBondContact O-N 3.09Å; Q176-G178 VanDerWaalsContact C-N 3.27Å; G178-E180 VanDerWaalsContact C-N 3.31Å; G178-E180 PolarHBondContact O-N 3.29Å
179I64.4Low79.7Confident62 Ų6269.7 Ų69.732%0.31838%0.375SS..  trans-86.672.5-169.7-39.2169.8000110.2R174 L177 H181 H182R174-I179 PolarHBondContact O-N 3.33Å; L177-I179 HydrophobicContact CB-CD1 3.45Å; L177-I179 VanDerWaalsContact CB-CD1 3.45Å; L177-I179 HydrophobicContact CB-CG1 3.37Å; L177-I179 HydrophobicContact CD1-CD1 3.63Å; L177-I179 HydrophobicContact CG-CD1 4.15Å; L177-I179 WeakPolarHBondContact O-CG1 3.38Å; L177-I179 PolarHBondContact O-N 3.07Å; L177-I179 VanDerWaalsContact O-N 3.16Å; I179-H181 PolarHBondContact O-N 3.07Å; I179-H182 HydrophobicContact CB-CB 4.29Å; I179-H182 HydrophobicContact CG2-CB 3.48Å; I179-H182 VanDerWaalsContact CG2-CB 3.48Å
180E60Low79.9Confident174 Ų17473.4 Ų73.481%0.81338%0.383SS*.THydrogen-bonded Turntrans-64-25.6170.4-63.7-167.8162.800111.5G178G178-E180 VanDerWaalsContact C-N 3.31Å; G178-E180 PolarHBondContact O-N 3.29Å
181H64Low80.1Confident93 Ų9370.4 Ų70.443%0.43137%0.368SS..THydrogen-bonded Turntrans-102.78.2-169.3-55.8-46.1000115.6I179 L183 A184 L318I179-H181 PolarHBondContact O-N 3.07Å; H181-L183 PolarHBondContact O-N 3.16Å; H181-A184 HydrophobicContact CB-CB 4.13Å; H181-A184 VanDerWaalsContact O-CB 3.27Å; H181-A184 WeakPolarHBondContact O-CB 3.48Å; H181-A184 PolarHBondContact O-N 3.17Å; H181-L318 HydrophobicContact CB-CD1 4.36Å
182H61.2Low80.4Confident110 Ų11069.4 Ų69.451%0.50936%0.359SS..THydrogen-bonded Turntrans-58.5-27.2-171.7-164.8-72.5000113.1I179I179-H182 HydrophobicContact CB-CB 4.29Å; I179-H182 HydrophobicContact CG2-CB 3.48Å; I179-H182 VanDerWaalsContact CG2-CB 3.48Å
183L70.7Confident80.8Confident95 Ų9571.3 Ų71.350%0.49737%0.372SS..THydrogen-bonded Turntrans-109.14.1-179-64.7172000112.6H181 D185 T186 G187H181-L183 PolarHBondContact O-N 3.16Å; L183-D185 VanDerWaalsContact C-N 3.32Å; L183-D185 PolarHBondContact O-N 3.48Å; L183-T186 HydrophobicContact CD2-CG2 4.1Å; L183-T186 PolarHBondContact O-N 3.01Å; L183-T186 PolarHBondContact O-OG1 2.88Å; L183-G187 PolarHBondContact O-N 2.69Å
184A80.7Confident81.2Confident29 Ų2972.9 Ų72.924%0.2437%0.374CS..Hα-helixtrans-63.3-39.5-178.200000111.5H181 G187 I188 L318H181-A184 HydrophobicContact CB-CB 4.13Å; H181-A184 VanDerWaalsContact O-CB 3.27Å; H181-A184 WeakPolarHBondContact O-CB 3.48Å; H181-A184 PolarHBondContact O-N 3.17Å; A184-G187 PolarHBondContact O-N 3.31Å; A184-I188 PolarHBondContact O-N 3.49Å; A184-I188 VanDerWaalsContact O-N 3.1Å; A184-L318 HydrophobicContact CB-CD1 3.92Å; A184-L318 HydrophobicContact CB-CD2 4.38Å
185D88.9Confident81.7Confident17 Ų1767.5 Ų67.59%0.09135%0.354CS..Hα-helixtrans-64.4-42.3175.365.9-17.6000111.8L183 G187 I188 V189 L318 I358 S363 F364L183-D185 VanDerWaalsContact C-N 3.32Å; L183-D185 PolarHBondContact O-N 3.48Å; D185-G187 PolarHBondContact O-N 2.71Å; D185-I188 WeakPolarHBondContact O-CB 3.33Å; D185-I188 PolarHBondContact O-N 2.94Å; D185-I188 VanDerWaalsContact O-N 3.11Å; D185-V189 WeakPolarHBondContact O-CG2 3.35Å; D185-V189 PolarHBondContact O-N 3.31Å; D185-L318 HydrophobicContact CB-CD2 4.18Å; D185-I358 HydrophobicContact CB-CG2 4.21Å; D185-S363 WeakPolarHBondContact OD2-CA 3.4Å; D185-S363 WeakPolarHBondContact OD2-CB 3.37Å; D185-S363 PolarHBondContact OD2-OG 3.26Å; D185-F364 HydrophobicContact CB-CB 4.03Å; D185-F364 PolarHBondContact OD2-N 3.05Å; D185-F364 VanDerWaalsContact OD2-N 3.09Å
186T89.2Confident82.3Confident56 Ų5664 Ų6434%0.34434%0.337SS..Hα-helixtrans-61.2-35.2174.873.70000111.8L183 K190L183-T186 HydrophobicContact CD2-CG2 4.1Å; L183-T186 PolarHBondContact O-N 3.01Å; L183-T186 PolarHBondContact O-OG1 2.88Å; T186-K190 WeakPolarHBondContact O-CB 3.33Å; T186-K190 VanDerWaalsContact O-CG 3.27Å; T186-K190 WeakPolarHBondContact O-CG 3.47Å; T186-K190 PolarHBondContact O-N 3.47Å
187G90.1Very high83.1Confident15 Ų1564.7 Ų64.716%0.15534%0.34CS..Hα-helixtrans-63.8-43.8173.500000112.4L183 A184 D185 K190 V191L183-G187 PolarHBondContact O-N 2.69Å; A184-G187 PolarHBondContact O-N 3.31Å; D185-G187 PolarHBondContact O-N 2.71Å; G187-K190 PolarHBondContact O-N 3.3Å; G187-V191 VanDerWaalsContact O-CG2 3.29Å; G187-V191 WeakPolarHBondContact O-CG2 3.47Å; G187-V191 PolarHBondContact O-N 3.2Å
188I92.4Very high84.1Confident1 Ų160.8 Ų60.81%0.00532%0.319CS..Hα-helixtrans-61-46.5176.5-68.9169.8000110.8A184 D185 K190 V191 L192 L311 R314 I315 L318 A355 I358A184-I188 PolarHBondContact O-N 3.49Å; A184-I188 VanDerWaalsContact O-N 3.1Å; D185-I188 WeakPolarHBondContact O-CB 3.33Å; D185-I188 PolarHBondContact O-N 2.94Å; D185-I188 VanDerWaalsContact O-N 3.11Å; I188-K190 PolarHBondContact O-N 3.3Å; I188-V191 PolarHBondContact O-N 3.07Å; I188-L192 WeakPolarHBondContact O-CB 3.28Å; I188-L192 PolarHBondContact O-N 2.95Å; I188-L311 HydrophobicContact CB-CD1 4.4Å; I188-L311 HydrophobicContact CG2-CD1 3.8Å; I188-R314 HydrophobicContact CG1-CB 4.04Å; I188-I315 HydrophobicContact CD1-CG1 4Å; I188-I315 HydrophobicContact CG1-CG1 4.37Å; I188-I315 HydrophobicContact CG2-CD1 4.47Å; I188-I315 HydrophobicContact CG2-CG1 4.27Å; I188-L318 HydrophobicContact CD1-CB 4.18Å; I188-L318 HydrophobicContact CD1-CD2 3.44Å; I188-L318 VanDerWaalsContact CD1-CD2 3.44Å; I188-L318 HydrophobicContact CD1-CG 4.45Å; I188-A355 HydrophobicContact CG2-CB 4Å; I188-I358 HydrophobicContact CD1-CD1 4.29Å; I188-I358 HydrophobicContact CG2-CD1 4.41Å
189V92.5Very high85.3Confident39 Ų3960.7 Ų60.724%0.23631%0.309CS..Hα-helixtrans-62.8-43179177.80000111.1D185 L192 M193 I358 A359D185-V189 WeakPolarHBondContact O-CG2 3.35Å; D185-V189 PolarHBondContact O-N 3.31Å; V189-L192 PolarHBondContact O-N 2.93Å; V189-M193 VanDerWaalsContact O-CG 3.22Å; V189-M193 WeakPolarHBondContact O-CG 3.41Å; V189-M193 PolarHBondContact O-N 2.99Å; V189-I358 HydrophobicContact CG2-CG2 4.12Å; V189-A359 HydrophobicContact CG1-CB 4.21Å; V189-A359 HydrophobicContact CG2-CB 4.12Å
190K92.8Very high86.8Confident143 Ų14362.9 Ų62.962%0.62232%0.321SS*.Hα-helixtrans-63.5-44.7176.9-73.8176-179.2-1760112.3T186 G187 I188 L192 M193 L194T186-K190 WeakPolarHBondContact O-CB 3.33Å; T186-K190 VanDerWaalsContact O-CG 3.27Å; T186-K190 WeakPolarHBondContact O-CG 3.47Å; T186-K190 PolarHBondContact O-N 3.47Å; G187-K190 PolarHBondContact O-N 3.3Å; I188-K190 PolarHBondContact O-N 3.3Å; K190-L192 VanDerWaalsContact C-N 3.35Å; K190-M193 PolarHBondContact O-N 3.49Å; K190-L194 WeakPolarHBondContact O-CG 3.22Å; K190-L194 PolarHBondContact O-N 3.02Å
191V93.2Very high88.4Confident14 Ų1456.7 Ų56.79%0.08530%0.297CS..Hα-helixtrans-64-41.2177.4173.60000111G187 I188 M193 L194 I195 L311G187-V191 VanDerWaalsContact O-CG2 3.29Å; G187-V191 WeakPolarHBondContact O-CG2 3.47Å; G187-V191 PolarHBondContact O-N 3.2Å; I188-V191 PolarHBondContact O-N 3.07Å; V191-M193 VanDerWaalsContact C-N 3.3Å; V191-M193 PolarHBondContact O-N 3.49Å; V191-L194 PolarHBondContact O-N 3.44Å; V191-I195 HydrophobicContact CG1-CD1 4.04Å; V191-I195 WeakPolarHBondContact O-CG1 3.34Å; V191-I195 PolarHBondContact O-N 3.11Å; V191-L311 HydrophobicContact CB-CD1 4.33Å; V191-L311 HydrophobicContact CG1-CB 3.9Å; V191-L311 HydrophobicContact CG1-CD1 4.14Å
192L93.6Very high89.8Confident5 Ų552.9 Ų52.93%0.02628%0.28CS..Hα-helixtrans-58.7-43.3174.1178.766.8000111.5I188 V189 K190 L194 I195 D196 L352 A355 R356 A359I188-L192 WeakPolarHBondContact O-CB 3.28Å; I188-L192 PolarHBondContact O-N 2.95Å; V189-L192 PolarHBondContact O-N 2.93Å; K190-L192 VanDerWaalsContact C-N 3.35Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 2.92Å; L192-I195 WeakPolarHBondContact O-CB 3.19Å; L192-I195 PolarHBondContact O-N 3.41Å; L192-D196 PolarHBondContact O-N 2.96Å; L192-L352 HydrophobicContact CD1-CD2 4.31Å; L192-A355 HydrophobicContact CB-CB 4.39Å; L192-A355 HydrophobicContact CD1-CB 4.13Å; L192-A355 HydrophobicContact CD2-CB 4.02Å; L192-A355 HydrophobicContact CG-CB 4.42Å; L192-R356 HydrophobicContact CD1-CG 4.32Å; L192-R356 HydrophobicContact CD2-CG 3.92Å; L192-A359 HydrophobicContact CD2-CB 3.75Å
193M94.4Very high91.3Very high104 Ų10451.6 Ų51.651%0.51228%0.28SS..Hα-helixtrans-66.1-37.5179.3-65.5-85.751.900113V189 K190 V191 I195 D196 E197V189-M193 VanDerWaalsContact O-CG 3.22Å; V189-M193 WeakPolarHBondContact O-CG 3.41Å; V189-M193 PolarHBondContact O-N 2.99Å; K190-M193 PolarHBondContact O-N 3.49Å; V191-M193 VanDerWaalsContact C-N 3.3Å; V191-M193 PolarHBondContact O-N 3.49Å; M193-I195 VanDerWaalsContact C-N 3.34Å; M193-D196 HydrophobicContact CE-CB 4.03Å; M193-D196 WeakPolarHBondContact CE-OD2 3.42Å; M193-D196 PolarHBondContact O-N 3.47Å; M193-E197 WeakPolarHBondContact O-CB 3.44Å; M193-E197 PolarHBondContact O-N 3.42Å
194L94.4Very high92.4Very high72 Ų7254.7 Ų54.738%0.37729%0.285SS..Hα-helixtrans-63-39.7171.9-69.2172.7000111.9K190 V191 L192 E197 L198 Y307K190-L194 WeakPolarHBondContact O-CG 3.22Å; K190-L194 PolarHBondContact O-N 3.02Å; V191-L194 PolarHBondContact O-N 3.44Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 2.92Å; L194-E197 PolarHBondContact O-N 2.9Å; L194-L198 WeakPolarHBondContact O-CB 3.22Å; L194-L198 VanDerWaalsContact O-CG 3.23Å; L194-L198 WeakPolarHBondContact O-CG 3.27Å; L194-L198 PolarHBondContact O-N 2.88Å; L194-Y307 HydrophobicContact CD1-CE1 4.4Å
195I93.6Very high93Very high4 Ų454.2 Ų54.22%0.02128%0.28CS..Hα-helixtrans-63.1-47.8176.1-68.2163.5000110.4V191 L192 M193 E197 L198 D199 V308 L311V191-I195 HydrophobicContact CG1-CD1 4.04Å; V191-I195 WeakPolarHBondContact O-CG1 3.34Å; V191-I195 PolarHBondContact O-N 3.11Å; L192-I195 WeakPolarHBondContact O-CB 3.19Å; L192-I195 PolarHBondContact O-N 3.41Å; M193-I195 VanDerWaalsContact C-N 3.34Å; I195-E197 VanDerWaalsContact C-N 3.32Å; I195-E197 PolarHBondContact O-N 3.32Å; I195-L198 PolarHBondContact O-N 2.83Å; I195-D199 WeakPolarHBondContact O-CB 3.39Å; I195-D199 PolarHBondContact O-N 2.92Å; I195-V308 HydrophobicContact CD1-CG2 4.05Å; I195-V308 HydrophobicContact CG1-CG2 4.44Å; I195-V308 HydrophobicContact CG2-CG2 4.49Å; I195-L311 HydrophobicContact CD1-CB 4.3Å; I195-L311 HydrophobicContact CD1-CD2 3.79Å
196D93.9Very high93.2Very high41 Ų4153.6 Ų53.622%0.21928%0.277CS..Hα-helixtrans-62.7-38.3178.9-71.3-27.2000111.6L192 M193 N200 R356L192-D196 PolarHBondContact O-N 2.96Å; M193-D196 HydrophobicContact CE-CB 4.03Å; M193-D196 WeakPolarHBondContact CE-OD2 3.42Å; M193-D196 PolarHBondContact O-N 3.47Å; D196-N200 VanDerWaalsContact O-CG 3.25Å; D196-N200 PolarHBondContact O-N 2.88Å; D196-N200 VanDerWaalsContact O-N 3.11Å; D196-N200 PolarHBondContact O-ND2 2.84Å; D196-R356 IonicContact OD1-NH2 2.62Å
197E95.3Very high93.2Very high124 Ų12454.3 Ų54.358%0.57928%0.284SS*.Hα-helixtrans-68.2-42.6176.3-175.5173.1-172.700112.5M193 L194 I195 D199 N200 S201M193-E197 WeakPolarHBondContact O-CB 3.44Å; M193-E197 PolarHBondContact O-N 3.42Å; L194-E197 PolarHBondContact O-N 2.9Å; I195-E197 VanDerWaalsContact C-N 3.32Å; I195-E197 PolarHBondContact O-N 3.32Å; E197-D199 VanDerWaalsContact C-N 3.35Å; E197-N200 PolarHBondContact O-N 3.16Å; E197-S201 WeakPolarHBondContact O-CB 3.45Å; E197-S201 PolarHBondContact O-N 2.97Å; E197-S201 PolarHBondContact O-OG 3.34Å
198L94Very high93.4Very high36 Ų3660.7 Ų60.719%0.18830%0.304CS..Hα-helixtrans-63.9-40.6175.4-74.4172.2000111.6L194 I195 S201 L202 M300 Y307L194-L198 WeakPolarHBondContact O-CB 3.22Å; L194-L198 VanDerWaalsContact O-CG 3.23Å; L194-L198 WeakPolarHBondContact O-CG 3.27Å; L194-L198 PolarHBondContact O-N 2.88Å; I195-L198 PolarHBondContact O-N 2.83Å; L198-S201 PolarHBondContact O-N 3.29Å; L198-L202 WeakPolarHBondContact O-CB 3.14Å; L198-L202 PolarHBondContact O-N 2.83Å; L198-M300 HydrophobicContact CD2-CE 4.25Å; L198-Y307 HydrophobicContact CD1-CD2 3.4Å; L198-Y307 HydrophobicContact CD1-CE2 3.51Å
199D92.6Very high93.4Very high41 Ų4160.8 Ų60.822%0.21931%0.305CS..Hα-helixtrans-63.2-45.3177.6-79-11.9000112.2I195 E197 S201 L202 T203 K304I195-D199 WeakPolarHBondContact O-CB 3.39Å; I195-D199 PolarHBondContact O-N 2.92Å; E197-D199 VanDerWaalsContact C-N 3.35Å; D199-S201 VanDerWaalsContact C-N 3.32Å; D199-S201 PolarHBondContact O-N 2.94Å; D199-L202 PolarHBondContact O-N 2.86Å; D199-T203 WeakPolarHBondContact O-CB 3.31Å; D199-T203 PolarHBondContact O-N 3.32Å; D199-T203 PolarHBondContact O-OG1 3.23Å; D199-K304 WeakPolarHBondContact OD1-CD 3.37Å; D199-K304 WeakPolarHBondContact OD1-CE 3.16Å; D199-K304 IonicContact OD1-NZ 3.16Å; D199-K304 PolarHBondContact OD1-NZ 3.37Å; D199-K304 IonicContact OD2-NZ 3.51Å
200N94.3Very high93.3Very high107 Ų10761.4 Ų61.457%0.57230%0.302SS*.Hα-helixtrans-62.8-41.8176-73.2-41.8000111.6D196 E197 R204D196-N200 VanDerWaalsContact O-CG 3.25Å; D196-N200 PolarHBondContact O-N 2.88Å; D196-N200 VanDerWaalsContact O-N 3.11Å; D196-N200 PolarHBondContact O-ND2 2.84Å; E197-N200 PolarHBondContact O-N 3.16Å; N200-R204 VanDerWaalsContact O-CB 3.29Å; N200-R204 WeakPolarHBondContact O-CB 3.43Å; N200-R204 PolarHBondContact O-N 2.88Å
201S94.8Very high93.2Very high44 Ų4457.4 Ų57.431%0.30830%0.296SS..Hα-helixtrans-68.4-43.2178.9-60.50000111.7E197 L198 D199 R204 S205E197-S201 WeakPolarHBondContact O-CB 3.45Å; E197-S201 PolarHBondContact O-N 2.97Å; E197-S201 PolarHBondContact O-OG 3.34Å; L198-S201 PolarHBondContact O-N 3.29Å; D199-S201 VanDerWaalsContact C-N 3.32Å; D199-S201 PolarHBondContact O-N 2.94Å; S201-R204 PolarHBondContact O-N 2.98Å; S201-S205 VanDerWaalsContact O-CB 3.26Å; S201-S205 WeakPolarHBondContact O-CB 3.49Å; S201-S205 PolarHBondContact O-N 3.48Å; S201-S205 PolarHBondContact O-OG 3Å
202L93.9Very high93.1Very high14 Ų1460.1 Ų60.17%0.07332%0.315CS..Hα-helixtrans-62.6-48.5177.6-173.970.3000110.5L198 D199 R204 S205 A206 M234 L297 M300 N301L198-L202 WeakPolarHBondContact O-CB 3.14Å; L198-L202 PolarHBondContact O-N 2.83Å; D199-L202 PolarHBondContact O-N 2.86Å; L202-R204 PolarHBondContact O-N 3.41Å; L202-S205 PolarHBondContact O-N 2.88Å; L202-A206 VanDerWaalsContact O-CB 3.24Å; L202-A206 WeakPolarHBondContact O-CB 3.35Å; L202-A206 PolarHBondContact O-N 2.99Å; L202-M234 HydrophobicContact CD1-SD 4.26Å; L202-M234 HydrophobicContact CD2-SD 3.89Å; L202-M234 HydrophobicContact CG-SD 4.31Å; L202-L297 HydrophobicContact CD1-CB 4.43Å; L202-M300 HydrophobicContact CD1-CB 4.41Å; L202-N301 HydrophobicContact CD1-CB 4.45Å; L202-N301 HydrophobicContact CD2-CB 4.31Å
203T92.1Very high93.1Very high83 Ų8359.9 Ų59.951%0.50931%0.314SS..Hα-helixtrans-61.7-44.3178.8-52.70000111.6D199 S207D199-T203 WeakPolarHBondContact O-CB 3.31Å; D199-T203 PolarHBondContact O-N 3.32Å; D199-T203 PolarHBondContact O-OG1 3.23Å; T203-S207 WeakPolarHBondContact O-CB 3.33Å; T203-S207 PolarHBondContact O-N 2.9Å
204R94.6Very high92.9Very high159 Ų15957 Ų5760%0.630%0.304SS*.Hα-helixtrans-63.3-44.6177.6-175.7-177.7-62.9179.31.1111.6N200 S201 L202 R208N200-R204 VanDerWaalsContact O-CB 3.29Å; N200-R204 WeakPolarHBondContact O-CB 3.43Å; N200-R204 PolarHBondContact O-N 2.88Å; S201-R204 PolarHBondContact O-N 2.98Å; L202-R204 PolarHBondContact O-N 3.41Å; R204-R208 WeakPolarHBondContact O-CG 3.32Å; R204-R208 PolarHBondContact O-N 3.35Å; R204-R208 VanDerWaalsContact O-N 3.13Å
205S92.8Very high92.7Very high19 Ų1959.2 Ų59.213%0.13332%0.315CS..Hα-helixtrans-70.6-39.9-179.2-64.70000112.4S201 L202 R208 L209 Y293S201-S205 VanDerWaalsContact O-CB 3.26Å; S201-S205 WeakPolarHBondContact O-CB 3.49Å; S201-S205 PolarHBondContact O-N 3.48Å; S201-S205 PolarHBondContact O-OG 3Å; L202-S205 PolarHBondContact O-N 2.88Å; S205-R208 PolarHBondContact O-N 3.42Å; S205-L209 WeakPolarHBondContact O-CB 3.37Å; S205-L209 PolarHBondContact O-N 2.81Å; S205-Y293 VanDerWaalsContact CB-OH 3.23Å; S205-Y293 WeakPolarHBondContact CB-OH 3.27Å; S205-Y293 PolarHBondContact OG-OH 3.48Å
206A92.2Very high92.6Very high5 Ų559.3 Ų59.34%0.04132%0.315CS..Hα-helixtrans-62.7-42.4174.700000111.4L202 R208 L209 R210 D233L202-A206 VanDerWaalsContact O-CB 3.24Å; L202-A206 WeakPolarHBondContact O-CB 3.35Å; L202-A206 PolarHBondContact O-N 2.99Å; A206-R208 VanDerWaalsContact C-N 3.34Å; A206-R208 PolarHBondContact O-N 3.09Å; A206-L209 PolarHBondContact O-N 3.46Å; A206-R210 WeakPolarHBondContact O-CB 3.27Å; A206-R210 PolarHBondContact O-N 3.28Å; A206-D233 HydrophobicContact CB-CB 4.12Å
207S90.5Very high92.4Very high70 Ų7057.3 Ų57.349%0.4931%0.305SS..Hα-helixtrans-61-40.1174.1177.20000112.6T203 A211T203-S207 WeakPolarHBondContact O-CB 3.33Å; T203-S207 PolarHBondContact O-N 2.9Å; S207-A211 PolarHBondContact O-N 3.33Å; S207-A211 VanDerWaalsContact O-N 3.11Å
208R92.7Very high92.1Very high149 Ų14953.2 Ų53.256%0.56229%0.288SS*.Hα-helixtrans-68.1-44.7175.9-73173177.2-176-4.1112.2R204 S205 A206 R210 A211 C212R204-R208 WeakPolarHBondContact O-CG 3.32Å; R204-R208 PolarHBondContact O-N 3.35Å; R204-R208 VanDerWaalsContact O-N 3.13Å; S205-R208 PolarHBondContact O-N 3.42Å; A206-R208 VanDerWaalsContact C-N 3.34Å; A206-R208 PolarHBondContact O-N 3.09Å; R208-R210 VanDerWaalsContact C-N 3.31Å; R208-R210 PolarHBondContact O-N 2.78Å; R208-A211 WeakPolarHBondContact O-CB 3.12Å; R208-A211 PolarHBondContact O-N 3.14Å; R208-A211 VanDerWaalsContact O-N 3.14Å; R208-C212 PolarHBondContact O-N 3.26Å; R208-C212 PolarHBondContact O-SG 3.35Å
209L92.7Very high91.6Very high4 Ų453.1 Ų53.12%0.02129%0.287CS..Hα-helixtrans-60.3-44176.8-178.357.2000111.1S205 A206 A211 C212 Y213 V237 I240 L290 Y293 A294 L297S205-L209 WeakPolarHBondContact O-CB 3.37Å; S205-L209 PolarHBondContact O-N 2.81Å; A206-L209 PolarHBondContact O-N 3.46Å; L209-A211 VanDerWaalsContact C-N 3.3Å; L209-A211 PolarHBondContact O-N 3.15Å; L209-C212 PolarHBondContact O-N 3.37Å; L209-Y213 WeakPolarHBondContact O-CB 3.46Å; L209-Y213 PolarHBondContact O-N 2.77Å; L209-V237 HydrophobicContact CD2-CG2 4.09Å; L209-I240 HydrophobicContact CD1-CD1 4.28Å; L209-I240 HydrophobicContact CD1-CG2 4.49Å; L209-I240 HydrophobicContact CD2-CD1 3.93Å; L209-I240 HydrophobicContact CG-CD1 3.83Å; L209-L290 HydrophobicContact CD1-CD2 3.64Å; L209-Y293 HydrophobicContact CB-CD1 4.24Å; L209-Y293 HydrophobicContact CB-CE1 4.06Å; L209-Y293 HydrophobicContact CD1-CD1 3.96Å; L209-Y293 HydrophobicContact CD2-CD1 4.26Å; L209-Y293 HydrophobicContact CG-CD1 4.37Å; L209-A294 HydrophobicContact CD2-CB 3.95Å; L209-L297 HydrophobicContact CB-CD1 4.37Å; L209-L297 HydrophobicContact CD2-CD1 3.89Å
210R91.5Very high91.2Very high51 Ų5151.5 Ų51.519%0.19228%0.279CS..Hα-helixtrans-57-43.3174.2179178.9-73.5137-5.7111.8A206 R208 S214 C221 D233 L236A206-R210 WeakPolarHBondContact O-CB 3.27Å; A206-R210 PolarHBondContact O-N 3.28Å; R208-R210 VanDerWaalsContact C-N 3.31Å; R208-R210 PolarHBondContact O-N 2.78Å; R210-S214 WeakPolarHBondContact O-CB 3.29Å; R210-S214 PolarHBondContact O-N 3.42Å; R210-C221 HydrophobicContact CG-CB 3.88Å; R210-C221 PolarHBondContact O-SG 3.15Å; R210-D233 IonicContact CZ-OD1 3.28Å; R210-D233 IonicContact NH1-OD1 2.72Å; R210-D233 PolarHBondContact NH1-OD1 3.4Å; R210-D233 IonicContact NH1-OD2 3.83Å; R210-D233 IonicContact NH2-OD1 2.79Å; R210-D233 PolarHBondContact NH2-OD1 2.93Å; R210-L236 HydrophobicContact CB-CD2 3.92Å; R210-L236 HydrophobicContact CG-CD2 3.95Å
211A91Very high90.7Very high59 Ų5947.1 Ų47.149%0.48826%0.256SS..Hα-helixtrans-64.2-44.7177.300000112.3S207 R208 L209 S214S207-A211 PolarHBondContact O-N 3.33Å; S207-A211 VanDerWaalsContact O-N 3.11Å; R208-A211 WeakPolarHBondContact O-CB 3.12Å; R208-A211 PolarHBondContact O-N 3.14Å; R208-A211 VanDerWaalsContact O-N 3.14Å; L209-A211 VanDerWaalsContact C-N 3.3Å; L209-A211 PolarHBondContact O-N 3.15Å; A211-S214 PolarHBondContact O-N 2.93Å; A211-S214 PolarHBondContact O-OG 3.11Å
212C90.7Very high89.8Confident72 Ų7252 Ų5249%0.48627%0.268SS..Hα-helixtrans-63-46.6175.9-65.10000112.1R208 L209 S214 I215 L290R208-C212 PolarHBondContact O-N 3.26Å; R208-C212 PolarHBondContact O-SG 3.35Å; L209-C212 PolarHBondContact O-N 3.37Å; C212-S214 VanDerWaalsContact C-N 3.25Å; C212-S214 PolarHBondContact O-N 3Å; C212-I215 PolarHBondContact O-N 2.97Å; C212-L290 HydrophobicContact CB-CD2 4.15Å
213Y92.7Very high88.4Confident0 Ų055.7 Ų55.70%029%0.293CS..Hα-helixtrans-69.5-23.2-178.9-165.7-113.4000113L209 I215 H216 F217 L236 L239 I240 P244 L282 L290L209-Y213 WeakPolarHBondContact O-CB 3.46Å; L209-Y213 PolarHBondContact O-N 2.77Å; Y213-I215 PolarHBondContact O-N 2.94Å; Y213-I215 VanDerWaalsContact O-N 3.14Å; Y213-H216 AromaticContact CE2-CD2 3.86Å; Y213-H216 PolarHBondContact O-N 3.21Å; Y213-F217 HydrophobicContact CD1-CB 4.24Å; Y213-F217 HydrophobicContact CE1-CB 3.61Å; Y213-F217 HydrophobicContact CE1-CD1 4.04Å; Y213-F217 HydrophobicContact CE1-CG 4.3Å; Y213-F217 PolarHBondContact O-N 3.46Å; Y213-L236 HydrophobicContact CD1-CD1 4.32Å; Y213-L239 HydrophobicContact CE1-CD2 4.34Å; Y213-I240 HydrophobicContact CD1-CD1 3.83Å; Y213-I240 HydrophobicContact CD1-CG1 4Å; Y213-I240 HydrophobicContact CD2-CD1 4.09Å; Y213-I240 HydrophobicContact CD2-CG1 4.03Å; Y213-I240 HydrophobicContact CE1-CD1 4.42Å; Y213-I240 HydrophobicContact CE1-CG1 4.08Å; Y213-I240 HydrophobicContact CE2-CG1 4.14Å; Y213-I240 HydrophobicContact CG-CD1 3.64Å; Y213-I240 HydrophobicContact CG-CG1 3.97Å; Y213-P244 WeakPolarHBondContact CE2-O 3.49Å; Y213-P244 PolarHBondContact OH-O 3.25Å; Y213-L282 HydrophobicContact CE2-CD1 4.29Å; Y213-L290 HydrophobicContact CD2-CD1 4.46Å
214S91.1Very high87Confident43 Ų4359.2 Ų59.230%0.30130%0.303SS..THydrogen-bonded Turntrans-61.3-21.2177.976.10000114.2R210 A211 C212 P218R210-S214 WeakPolarHBondContact O-CB 3.29Å; R210-S214 PolarHBondContact O-N 3.42Å; A211-S214 PolarHBondContact O-N 2.93Å; A211-S214 PolarHBondContact O-OG 3.11Å; C212-S214 VanDerWaalsContact C-N 3.25Å; C212-S214 PolarHBondContact O-N 3Å; S214-P218 WeakPolarHBondContact O-CA 3.39Å; S214-P218 VanDerWaalsContact O-CB 3.28Å; S214-P218 WeakPolarHBondContact O-CB 3.44Å; S214-P218 WeakPolarHBondContact O-CD 3.44Å
215I90.8Very high85.3Confident119 Ų11952.6 Ų52.661%0.6128%0.279SS*.THydrogen-bonded Turntrans-69.9-36.1175.2-59.6173.7000110.7C212 Y213 A280C212-I215 PolarHBondContact O-N 2.97Å; Y213-I215 PolarHBondContact O-N 2.94Å; Y213-I215 VanDerWaalsContact O-N 3.14Å; I215-A280 HydrophobicContact CG2-CB 4.12Å; I215-A280 PolarHBondContact O-N 3.16Å
216H91.2Very high83.4Confident5 Ų558.1 Ų58.12%0.02330%0.3CS..THydrogen-bonded Turntrans-87-45-179.7-177.958.8000113.3Y213 P244 R246 G279 A280 L282Y213-H216 AromaticContact CE2-CD2 3.86Å; Y213-H216 PolarHBondContact O-N 3.21Å; H216-P244 PolarHBondContact CD2-O 2.67Å; H216-R246 PolarHBondContact NE2-N 2.91Å; H216-G279 WeakPolarHBondContact O-CA 3.33Å; H216-A280 WeakPolarHBondContact CA-O 3.42Å; H216-A280 PolarHBondContact ND1-O 2.77Å; H216-L282 HydrophobicContact CB-CD1 3.72Å; H216-L282 HydrophobicContact CB-CD2 4.06Å; H216-L282 HydrophobicContact CB-CG 3.65Å; H216-L282 VanDerWaalsContact CD2-CD1 3.42Å; H216-L282 WeakPolarHBondContact CD2-CD1 3.38Å; H216-L282 VanDerWaalsContact CG-CD1 3.42Å; H216-L282 VanDerWaalsContact CG-CG 3.48Å
217F89.6Confident81.7Confident0 Ų068.3 Ų68.30%034%0.344CS..  trans-135.472.6-175.5-161.5-176000111.1Y213 E219 V220 I249 I270 A273 A274Y213-F217 HydrophobicContact CD1-CB 4.24Å; Y213-F217 HydrophobicContact CE1-CB 3.61Å; Y213-F217 HydrophobicContact CE1-CD1 4.04Å; Y213-F217 HydrophobicContact CE1-CG 4.3Å; Y213-F217 PolarHBondContact O-N 3.46Å; F217-E219 VanDerWaalsContact C-N 3.26Å; F217-E219 HydrophobicContact CD2-CB 4.26Å; F217-E219 WeakPolarHBondContact CD2-OE2 3.42Å; F217-E219 HydrophobicContact CE2-CB 3.97Å; F217-E219 PolarHBondContact O-N 2.96Å; F217-V220 HydrophobicContact CD1-CB 4.19Å; F217-V220 HydrophobicContact CD1-CG2 3.58Å; F217-V220 HydrophobicContact CD2-CG2 4.13Å; F217-V220 HydrophobicContact CE1-CB 4.29Å; F217-V220 HydrophobicContact CE1-CG2 3.22Å; F217-V220 HydrophobicContact CE2-CG2 3.82Å; F217-V220 HydrophobicContact CG-CB 4.39Å; F217-V220 HydrophobicContact CG-CG2 4.03Å; F217-V220 HydrophobicContact CZ-CG2 3.34Å; F217-I249 HydrophobicContact CD1-CD1 4.28Å; F217-I249 HydrophobicContact CE1-CD1 4.13Å; F217-I270 HydrophobicContact CE1-CG2 4.08Å; F217-I270 HydrophobicContact CZ-CG2 4.44Å; F217-A273 HydrophobicContact CE2-CB 3.99Å; F217-A273 WeakPolarHBondContact CE2-O 3.46Å; F217-A273 HydrophobicContact CZ-CB 3.93Å; F217-A274 HydrophobicContact CE1-CB 4.12Å; F217-A274 HydrophobicContact CE2-CB 4.49Å; F217-A274 HydrophobicContact CZ-CB 3.76Å
218P87.8Confident79.9Confident37 Ų3768.6 Ų68.624%0.2434%0.337CS..THydrogen-bonded Turntrans-64.5-28-174.522.6-31.5000113.3S214 C221 R222S214-P218 WeakPolarHBondContact O-CA 3.39Å; S214-P218 VanDerWaalsContact O-CB 3.28Å; S214-P218 WeakPolarHBondContact O-CB 3.44Å; S214-P218 WeakPolarHBondContact O-CD 3.44Å; P218-C221 PolarHBondContact O-N 3.45Å; P218-R222 WeakPolarHBondContact O-CG 3.38Å; P218-R222 PolarHBondContact O-N 3.35Å
219E84.5Confident78.2Confident35 Ų3569.2 Ų69.216%0.16435%0.35CS..THydrogen-bonded Turntrans-62.6-44.4-176-64.475.9-162.700111.9F217 C221 R222 F225 A273 S277F217-E219 VanDerWaalsContact C-N 3.26Å; F217-E219 HydrophobicContact CD2-CB 4.26Å; F217-E219 WeakPolarHBondContact CD2-OE2 3.42Å; F217-E219 HydrophobicContact CE2-CB 3.97Å; F217-E219 PolarHBondContact O-N 2.96Å; E219-C221 VanDerWaalsContact C-N 3.35Å; E219-R222 PolarHBondContact O-N 3.03Å; E219-F225 HydrophobicContact CB-CE2 4.4Å; E219-F225 WeakPolarHBondContact O-CD2 3.32Å; E219-A273 HydrophobicContact CB-CB 4.22Å; E219-S277 WeakPolarHBondContact OE2-CB 3.38Å; E219-S277 PolarHBondContact OE2-OG 3.44Å
220V84.3Confident76.6Confident7 Ų771.3 Ų71.34%0.04237%0.365CS..THydrogen-bonded Turntrans-71.1-30.8-179.9175.60000112.1F217 R222 L231 L236 I270F217-V220 HydrophobicContact CD1-CB 4.19Å; F217-V220 HydrophobicContact CD1-CG2 3.58Å; F217-V220 HydrophobicContact CD2-CG2 4.13Å; F217-V220 HydrophobicContact CE1-CB 4.29Å; F217-V220 HydrophobicContact CE1-CG2 3.22Å; F217-V220 HydrophobicContact CE2-CG2 3.82Å; F217-V220 HydrophobicContact CG-CB 4.39Å; F217-V220 HydrophobicContact CG-CG2 4.03Å; F217-V220 HydrophobicContact CZ-CG2 3.34Å; V220-R222 VanDerWaalsContact C-N 3.3Å; V220-R222 PolarHBondContact O-N 3.32Å; V220-L231 HydrophobicContact CG1-CD1 4.28Å; V220-L231 HydrophobicContact CG1-CD2 3.98Å; V220-L236 HydrophobicContact CG1-CD1 3.8Å; V220-I270 HydrophobicContact CG2-CG1 4.49Å; V220-I270 HydrophobicContact CG2-CG2 4.33Å
221C82.4Confident75.5Confident15 Ų1569.6 Ų69.610%0.10136%0.359CS..THydrogen-bonded Turntrans-79.8-6.3-179.1-69.30000114R210 P218 E219R210-C221 HydrophobicContact CG-CB 3.88Å; R210-C221 PolarHBondContact O-SG 3.15Å; P218-C221 PolarHBondContact O-N 3.45Å; E219-C221 VanDerWaalsContact C-N 3.35Å
222R76.8Confident74.8Confident147 Ų14770.3 Ų70.356%0.55536%0.355SS*.SBendtrans-69.2137.6178.6-74-178.4-165.7-178.36.7110.8P218 E219 V220 H224P218-R222 WeakPolarHBondContact O-CG 3.38Å; P218-R222 PolarHBondContact O-N 3.35Å; E219-R222 PolarHBondContact O-N 3.03Å; V220-R222 VanDerWaalsContact C-N 3.3Å; V220-R222 PolarHBondContact O-N 3.32Å; R222-H224 PolarHBondContact O-N 2.99Å; R222-H224 VanDerWaalsContact O-N 3.08Å
223P65.6Low74.5Confident90 Ų9069.3 Ų69.358%0.58434%0.344SS*.SBendtrans-63.9-16.6177.226.5-34.7000113.3
224H62.7Low74.1Confident157 Ų15771.1 Ų71.173%0.72735%0.353SS*.EExtended strand (participates in β ladder)trans-127.9100.6176.1-62.8-52000109.7R222R222-H224 PolarHBondContact O-N 2.99Å; R222-H224 VanDerWaalsContact O-N 3.08Å
225F57.1Low73.8Confident20 Ų2071.2 Ų71.29%0.08835%0.351CS..EExtended strand (participates in β ladder)trans-96.3113172.9-167.9-84.7000109.1E219 K227 Q228 L269 A273E219-F225 HydrophobicContact CB-CE2 4.4Å; E219-F225 WeakPolarHBondContact O-CD2 3.32Å; F225-K227 VanDerWaalsContact C-N 3.33Å; F225-K227 PolarHBondContact O-N 2.76Å; F225-Q228 PolarHBondContact O-N 3.31Å; F225-Q228 VanDerWaalsContact O-O 3.07Å; F225-L269 HydrophobicContact CE1-CB 3.84Å; F225-L269 HydrophobicContact CE1-CD1 4.39Å; F225-L269 HydrophobicContact CE1-CD2 4.43Å; F225-L269 HydrophobicContact CE1-CG 4.45Å; F225-L269 HydrophobicContact CZ-CB 4.39Å; F225-A273 HydrophobicContact CE2-CB 3.91Å; F225-A273 HydrophobicContact CZ-CB 3.8Å
226K54.6Low73.6Confident135 Ų13565.8 Ų65.859%0.58732%0.323SS*.THydrogen-bonded Turntrans32.954.4172.6-70.9-177177.4173.40115.5Q228K226-Q228 PolarHBondContact O-N 3.02Å; K226-Q228 VanDerWaalsContact O-N 3.13Å
227K54.8Low73.6Confident220 Ų22065.6 Ų65.696%0.95732%0.322SS*.THydrogen-bonded Turntrans65.31.9178.7-56.7175.8178.6174.30116.5F225F225-K227 VanDerWaalsContact C-N 3.33Å; F225-K227 PolarHBondContact O-N 2.76Å
228Q54.5Low73.5Confident76 Ų7668.5 Ų68.536%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-97.6152.7167.3-87.1178.1-1200111.2F225 K226 L269F225-Q228 PolarHBondContact O-N 3.31Å; F225-Q228 VanDerWaalsContact O-O 3.07Å; K226-Q228 PolarHBondContact O-N 3.02Å; K226-Q228 VanDerWaalsContact O-N 3.13Å; Q228-L269 VanDerWaalsContact OE1-CD1 3.26Å
229I55.8Low73.5Confident162 Ų16266.9 Ų66.983%0.83133%0.325SS*.EExtended strand (participates in β ladder)trans-71.6128.4-175.5-63.2165.4000107.7
230C59.1Low73.8Confident48 Ų4865.2 Ų65.232%0.32432%0.317SS..  trans-3127.1165.2-164.60000115.6D232C230-D232 PolarHBondContact O-N 2.81Å
231L68.1Low74.1Confident14 Ų1465.1 Ų65.17%0.07332%0.317CS..  trans-54.8128.5158.6-91.987.2000107.8V220 D233 L261 I270V220-L231 HydrophobicContact CG1-CD1 4.28Å; V220-L231 HydrophobicContact CG1-CD2 3.98Å; L231-D233 PolarHBondContact O-N 2.95Å; L231-L261 HydrophobicContact CD2-CD2 4.05Å; L231-I270 HydrophobicContact CD2-CD1 4.01Å
232D77.2Confident74.3Confident74 Ų7467.6 Ų67.640%0.39633%0.329SS..  trans-57.5142.8173.8-84.1-15.4000108.9C230 M234 D235 L236 N345C230-D232 PolarHBondContact O-N 2.81Å; D232-M234 PolarHBondContact O-N 3.35Å; D232-D235 HydrophobicContact CB-CB 4.46Å; D232-D235 PolarHBondContact O-N 2.96Å; D232-L236 PolarHBondContact O-N 3.23Å; D232-L236 VanDerWaalsContact O-N 3.08Å; D232-N345 PolarHBondContact OD2-ND2 3.47Å; D232-N345 VanDerWaalsContact OD2-ND2 3.1Å
233D82.9Confident74.7Confident51 Ų5160.9 Ų60.927%0.27330%0.304SS..Hα-helixtrans-50.3-35.7-179.8-73.919.4000111.7A206 R210 L231 V237A206-D233 HydrophobicContact CB-CB 4.12Å; R210-D233 IonicContact CZ-OD1 3.28Å; R210-D233 IonicContact NH1-OD1 2.72Å; R210-D233 PolarHBondContact NH1-OD1 3.4Å; R210-D233 IonicContact NH1-OD2 3.83Å; R210-D233 IonicContact NH2-OD1 2.79Å; R210-D233 PolarHBondContact NH2-OD1 2.93Å; L231-D233 PolarHBondContact O-N 2.95Å; D233-V237 WeakPolarHBondContact O-CG2 3.41Å; D233-V237 PolarHBondContact O-N 2.92Å; D233-V237 VanDerWaalsContact O-N 3.15Å
234M84.5Confident75.6Confident38 Ų3856.7 Ų56.719%0.18728%0.278CS..Hα-helixtrans-73.2-38.2178.8-65.4-53.2-48.700113.2L202 D232 L236 V237 Q238 L298 N301L202-M234 HydrophobicContact CD1-SD 4.26Å; L202-M234 HydrophobicContact CD2-SD 3.89Å; L202-M234 HydrophobicContact CG-SD 4.31Å; D232-M234 PolarHBondContact O-N 3.35Å; M234-L236 VanDerWaalsContact C-N 3.31Å; M234-L236 PolarHBondContact O-N 3.24Å; M234-V237 PolarHBondContact O-N 3.46Å; M234-Q238 WeakPolarHBondContact O-CG 3.49Å; M234-Q238 PolarHBondContact O-N 3.03Å; M234-L298 HydrophobicContact CE-CD2 3.92Å; M234-N301 HydrophobicContact CE-CB 3.41Å; M234-N301 VanDerWaalsContact CE-CB 3.41Å; M234-N301 VanDerWaalsContact CE-CG 3.49Å; M234-N301 WeakPolarHBondContact CE-ND2 3.35Å; M234-N301 HydrophobicContact SD-CB 4.15Å
235D85.5Confident76.9Confident46 Ų4652 Ų5225%0.24626%0.258CS..Hα-helixtrans-66.1-38.4177.9-62.6-12.1000110.3D232 Q238 L239 L261D232-D235 HydrophobicContact CB-CB 4.46Å; D232-D235 PolarHBondContact O-N 2.96Å; D235-Q238 PolarHBondContact O-N 2.9Å; D235-L239 PolarHBondContact O-N 3.4Å; D235-L261 HydrophobicContact CB-CD2 4.46Å; D235-L261 HydrophobicContact CB-CG 4.46Å
236L87.6Confident78.4Confident4 Ų453.2 Ų53.22%0.02126%0.262CS..Hα-helixtrans-62-44.6172.2177.561.4000111.8R210 Y213 V220 D232 M234 Q238 L239 I240R210-L236 HydrophobicContact CB-CD2 3.92Å; R210-L236 HydrophobicContact CG-CD2 3.95Å; Y213-L236 HydrophobicContact CD1-CD1 4.32Å; V220-L236 HydrophobicContact CG1-CD1 3.8Å; D232-L236 PolarHBondContact O-N 3.23Å; D232-L236 VanDerWaalsContact O-N 3.08Å; M234-L236 VanDerWaalsContact C-N 3.31Å; M234-L236 PolarHBondContact O-N 3.24Å; L236-Q238 VanDerWaalsContact C-N 3.31Å; L236-Q238 PolarHBondContact O-N 3.23Å; L236-L239 PolarHBondContact O-N 2.82Å; L236-I240 HydrophobicContact CD1-CD1 4.01Å; L236-I240 HydrophobicContact CD1-CG1 4.35Å; L236-I240 HydrophobicContact CG-CD1 4.01Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 2.97Å
237V89.4Confident79.8Confident2 Ų250.7 Ų50.71%0.01226%0.261CS..Hα-helixtrans-62.5-40176.8172.80000110.7L209 D233 M234 I240 A241 A294 L297 L298L209-V237 HydrophobicContact CD2-CG2 4.09Å; D233-V237 WeakPolarHBondContact O-CG2 3.41Å; D233-V237 PolarHBondContact O-N 2.92Å; D233-V237 VanDerWaalsContact O-N 3.15Å; M234-V237 PolarHBondContact O-N 3.46Å; V237-I240 PolarHBondContact O-N 3.47Å; V237-A241 WeakPolarHBondContact O-CB 3.36Å; V237-A241 PolarHBondContact O-N 2.83Å; V237-A294 HydrophobicContact CG1-CB 4.24Å; V237-A294 WeakPolarHBondContact CG1-O 3.45Å; V237-L297 HydrophobicContact CG1-CB 3.77Å; V237-L297 HydrophobicContact CG1-CD1 4.47Å; V237-L297 HydrophobicContact CG2-CD1 4.09Å; V237-L298 HydrophobicContact CB-CD2 4.4Å; V237-L298 HydrophobicContact CG1-CD2 3.72Å; V237-L298 HydrophobicContact CG1-CG 3.84Å
238Q88.9Confident81.3Confident60 Ų6041.8 Ų41.828%0.2823%0.226SC..Hα-helixtrans-63.7-42.3175.7-73.2179.6-1.700112.2M234 D235 L236 A241 N242 Y260 L298M234-Q238 WeakPolarHBondContact O-CG 3.49Å; M234-Q238 PolarHBondContact O-N 3.03Å; D235-Q238 PolarHBondContact O-N 2.9Å; L236-Q238 VanDerWaalsContact C-N 3.31Å; L236-Q238 PolarHBondContact O-N 3.23Å; Q238-A241 PolarHBondContact O-N 3.03Å; Q238-N242 PolarHBondContact O-N 3.48Å; Q238-N242 PolarHBondContact O-ND2 3.2Å; Q238-Y260 PolarHBondContact OE1-O 3.44Å; Q238-L298 HydrophobicContact CG-CD1 4.32Å; Q238-L298 HydrophobicContact CG-CD2 3.52Å
239L87.4Confident82.7Confident4 Ų438.1 Ų38.12%0.02121%0.209CC..Hα-helixtrans-58.9-49.5175.6-177.4155.4000111.3Y213 D235 L236 A241 N242 S243 I249 F258 L261 I270Y213-L239 HydrophobicContact CE1-CD2 4.34Å; D235-L239 PolarHBondContact O-N 3.4Å; L236-L239 PolarHBondContact O-N 2.82Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.49Å; L239-N242 PolarHBondContact O-N 3.44Å; L239-S243 CarbonylContact O-C 3.43Å; L239-S243 PolarHBondContact O-N 3.02Å; L239-I249 HydrophobicContact CD2-CD1 4.02Å; L239-F258 HydrophobicContact CD1-CZ 4.26Å; L239-L261 HydrophobicContact CB-CD1 4.43Å; L239-I270 HydrophobicContact CD1-CD1 3.99Å; L239-I270 HydrophobicContact CD1-CG2 3.91Å
240I90.5Very high84Confident0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-65.8-36.5-179-63.5167.2000111.3L209 Y213 L236 V237 L290 A294L209-I240 HydrophobicContact CD1-CD1 4.28Å; L209-I240 HydrophobicContact CD1-CG2 4.49Å; L209-I240 HydrophobicContact CD2-CD1 3.93Å; L209-I240 HydrophobicContact CG-CD1 3.83Å; Y213-I240 HydrophobicContact CD1-CD1 3.83Å; Y213-I240 HydrophobicContact CD1-CG1 4Å; Y213-I240 HydrophobicContact CD2-CD1 4.09Å; Y213-I240 HydrophobicContact CD2-CG1 4.03Å; Y213-I240 HydrophobicContact CE1-CD1 4.42Å; Y213-I240 HydrophobicContact CE1-CG1 4.08Å; Y213-I240 HydrophobicContact CE2-CG1 4.14Å; Y213-I240 HydrophobicContact CG-CD1 3.64Å; Y213-I240 HydrophobicContact CG-CG1 3.97Å; L236-I240 HydrophobicContact CD1-CD1 4.01Å; L236-I240 HydrophobicContact CD1-CG1 4.35Å; L236-I240 HydrophobicContact CG-CD1 4.01Å; L236-I240 WeakPolarHBondContact O-CG1 3.49Å; L236-I240 PolarHBondContact O-N 2.97Å; V237-I240 PolarHBondContact O-N 3.47Å; I240-L290 HydrophobicContact CG2-CB 4.28Å; I240-A294 HydrophobicContact CB-CB 4.05Å; I240-A294 HydrophobicContact CG2-CB 3.79Å
241A90.7Very high85.2Confident4 Ų433.9 Ų33.93%0.03319%0.189CC..Hα-helixtrans-66.1-36.7-179.900000113.1V237 Q238 L239 A294 Q295 L298V237-A241 WeakPolarHBondContact O-CB 3.36Å; V237-A241 PolarHBondContact O-N 2.83Å; Q238-A241 PolarHBondContact O-N 3.03Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.49Å; A241-A294 HydrophobicContact CB-CB 3.88Å; A241-Q295 HydrophobicContact CB-CG 4.1Å; A241-L298 HydrophobicContact CB-CD1 3.6Å
242N87.3Confident85.7Confident68 Ų6835.6 Ų35.636%0.36420%0.198SC..Hα-helixtrans-90.8-44.4-177.1-64.9-25.6000112.5Q238 L239 Y260Q238-N242 PolarHBondContact O-N 3.48Å; Q238-N242 PolarHBondContact O-ND2 3.2Å; L239-N242 PolarHBondContact O-N 3.44Å; N242-Y260 HydrophobicContact CB-CD2 4.25Å; N242-Y260 HydrophobicContact CB-CE2 4.11Å; N242-Y260 WeakPolarHBondContact ND2-CD1 3.48Å; N242-Y260 WeakPolarHBondContact ND2-CD2 3.3Å; N242-Y260 WeakPolarHBondContact ND2-CE1 3.45Å; N242-Y260 WeakPolarHBondContact ND2-CE2 3.48Å
243S84.7Confident85.7Confident5 Ų536.1 Ų36.14%0.03520%0.197CC..  trans-146.592.6-175.4590000111.5L239L239-S243 CarbonylContact O-C 3.43Å; L239-S243 PolarHBondContact O-N 3.02Å
244P85.3Confident85.3Confident3 Ų337.8 Ų37.82%0.01922%0.218CC..  trans-77.6-33.3-178.931.5-39.3000113.1Y213 H216 C287 Q291Y213-P244 WeakPolarHBondContact CE2-O 3.49Å; Y213-P244 PolarHBondContact OH-O 3.25Å; H216-P244 PolarHBondContact CD2-O 2.67Å; P244-C287 WeakPolarHBondContact CG-SG 3.06Å; P244-Q291 HydrophobicContact CB-CG 4.15Å; P244-Q291 HydrophobicContact CG-CG 3.58Å; P244-Q291 VanDerWaalsContact CG-NE2 3.28Å
245L88.9Confident84.8Confident59 Ų5939.4 Ų39.431%0.30924%0.238SC..SBendtrans-82.4138.2-175.1-69.4166.8000111.7S247 S248 I249 L282L245-S247 VanDerWaalsContact C-N 3.33Å; L245-S247 PolarHBondContact O-N 3.44Å; L245-S248 WeakPolarHBondContact O-CB 3.42Å; L245-S248 PolarHBondContact O-N 3.3Å; L245-S248 VanDerWaalsContact O-N 3.12Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 3.49Å; L245-L282 HydrophobicContact CD2-CB 4.3Å
246R88.1Confident84Confident45 Ų4539.9 Ų39.917%0.1725%0.253CS..Hα-helixtrans-55.8-41.9174.4-71.8-176.5-70.1122.5-6.2113.4H216 S248 I249 I250 S277 G279H216-R246 PolarHBondContact NE2-N 2.91Å; R246-S248 VanDerWaalsContact C-N 3.34Å; R246-S248 PolarHBondContact O-N 3.01Å; R246-I249 PolarHBondContact O-N 3.42Å; R246-I250 WeakPolarHBondContact O-CG1 3.31Å; R246-I250 PolarHBondContact O-N 3.23Å; R246-I250 VanDerWaalsContact O-N 3.09Å; R246-S277 PolarHBondContact NH1-O 3.39Å; R246-G279 PolarHBondContact NH2-O 3Å; R246-G279 VanDerWaalsContact NH2-O 3.14Å
247S85.4Confident82.9Confident81 Ų8142.6 Ų42.657%0.56627%0.272SS*.Hα-helixtrans-64.3-38.1177.154.40000112.5L245 I250 S251L245-S247 VanDerWaalsContact C-N 3.33Å; L245-S247 PolarHBondContact O-N 3.44Å; S247-I250 PolarHBondContact O-N 3.19Å; S247-S251 PolarHBondContact O-N 2.98Å; S247-S251 PolarHBondContact O-OG 2.99Å
248S85.1Confident81.8Confident33 Ų3343.3 Ų43.323%0.23128%0.275CS..Hα-helixtrans-67.2-39.2174.9-176.70000111.3L245 R246 I250 S251 N252L245-S248 WeakPolarHBondContact O-CB 3.42Å; L245-S248 PolarHBondContact O-N 3.3Å; L245-S248 VanDerWaalsContact O-N 3.12Å; R246-S248 VanDerWaalsContact C-N 3.34Å; R246-S248 PolarHBondContact O-N 3.01Å; S248-I250 PolarHBondContact O-N 3.39Å; S248-S251 VanDerWaalsContact CA-OG 3.3Å; S248-S251 WeakPolarHBondContact CA-OG 3.43Å; S248-S251 PolarHBondContact O-N 2.96Å; S248-S251 PolarHBondContact O-OG 2.9Å; S248-N252 WeakPolarHBondContact O-CB 3.4Å; S248-N252 PolarHBondContact O-N 3.49Å; S248-N252 PolarHBondContact O-ND2 3.4Å; S248-N252 PolarHBondContact OG-ND2 3.43Å
249I84.2Confident80.7Confident0 Ų045.6 Ų45.60%029%0.294CS..Hα-helixtrans-61.5-45.8175.5-66.3165.5000110.9F217 L239 L245 R246 F253 F258 I270 A274F217-I249 HydrophobicContact CD1-CD1 4.28Å; F217-I249 HydrophobicContact CE1-CD1 4.13Å; L239-I249 HydrophobicContact CD2-CD1 4.02Å; L245-I249 WeakPolarHBondContact O-CG1 3.44Å; L245-I249 PolarHBondContact O-N 3.49Å; R246-I249 PolarHBondContact O-N 3.42Å; I249-F253 VanDerWaalsContact O-CB 3.27Å; I249-F253 WeakPolarHBondContact O-CB 3.33Å; I249-F253 PolarHBondContact O-N 2.84Å; I249-F258 HydrophobicContact CG2-CE2 4.2Å; I249-I270 HydrophobicContact CG2-CG2 4.12Å; I249-A274 HydrophobicContact CG2-CB 4.36Å
250I83.6Confident79.7Confident58 Ų5851.2 Ų51.230%0.29732%0.316SS..Hα-helixtrans-64.3-44.9179.8-64.6164000111R246 S247 S248 A254 A274 Q275R246-I250 WeakPolarHBondContact O-CG1 3.31Å; R246-I250 PolarHBondContact O-N 3.23Å; R246-I250 VanDerWaalsContact O-N 3.09Å; S247-I250 PolarHBondContact O-N 3.19Å; S248-I250 PolarHBondContact O-N 3.39Å; I250-A254 WeakPolarHBondContact O-CB 3.34Å; I250-A254 PolarHBondContact O-N 3.37Å; I250-A274 HydrophobicContact CD1-CB 4.43Å; I250-A274 HydrophobicContact CG1-CB 4.15Å; I250-Q275 HydrophobicContact CD1-CG 3.86Å; I250-Q275 HydrophobicContact CG1-CG 4.19Å
251S82.9Confident78.6Confident63 Ų6351.4 Ų51.444%0.44132%0.317SS..Hα-helixtrans-68.5-41.3178.749.90000112.8S247 S248 F253 A254 A255S247-S251 PolarHBondContact O-N 2.98Å; S247-S251 PolarHBondContact O-OG 2.99Å; S248-S251 VanDerWaalsContact CA-OG 3.3Å; S248-S251 WeakPolarHBondContact CA-OG 3.43Å; S248-S251 PolarHBondContact O-N 2.96Å; S248-S251 PolarHBondContact O-OG 2.9Å; S251-F253 VanDerWaalsContact C-N 3.33Å; S251-F253 PolarHBondContact O-N 3.49Å; S251-A254 PolarHBondContact O-N 2.82Å; S251-A255 WeakPolarHBondContact O-CB 3.39Å; S251-A255 PolarHBondContact O-N 3.24Å
252N80.1Confident77.4Confident50 Ų5055.5 Ų55.527%0.26736%0.359SS..Hα-helixtrans-67.2-34.4176.8-71.2-19.6000112.4S248 A255 G256 S257S248-N252 WeakPolarHBondContact O-CB 3.4Å; S248-N252 PolarHBondContact O-N 3.49Å; S248-N252 PolarHBondContact O-ND2 3.4Å; S248-N252 PolarHBondContact OG-ND2 3.43Å; N252-A255 PolarHBondContact O-N 2.83Å; N252-G256 PolarHBondContact O-N 3.11Å; N252-S257 PolarHBondContact O-N 2.85Å
253F76.9Confident76.7Confident84 Ų8454.3 Ų54.337%0.36836%0.356SS..Hα-helixtrans-65.3-45.2171.8-175.1-99.2000111I249 S251 A255 G256 F258 A267 A271I249-F253 VanDerWaalsContact O-CB 3.27Å; I249-F253 WeakPolarHBondContact O-CB 3.33Å; I249-F253 PolarHBondContact O-N 2.84Å; S251-F253 VanDerWaalsContact C-N 3.33Å; S251-F253 PolarHBondContact O-N 3.49Å; F253-A255 VanDerWaalsContact C-N 3.29Å; F253-A255 PolarHBondContact O-N 3.27Å; F253-G256 PolarHBondContact O-N 3.32Å; F253-G256 VanDerWaalsContact O-N 3.12Å; F253-F258 HydrophobicContact CD2-CB 4.39Å; F253-A267 HydrophobicContact CD2-CB 4.18Å; F253-A267 HydrophobicContact CE2-CB 3.89Å; F253-A271 HydrophobicContact CB-CB 4.19Å; F253-A271 HydrophobicContact CD1-CB 3.75Å; F253-A271 HydrophobicContact CD2-CB 4.04Å; F253-A271 HydrophobicContact CE1-CB 4.12Å; F253-A271 HydrophobicContact CE2-CB 4.4Å; F253-A271 HydrophobicContact CG-CB 3.71Å; F253-A271 HydrophobicContact CZ-CB 4.44Å
254A74Confident76.3Confident87 Ų8760.5 Ų60.572%0.71939%0.389SS*.Hα-helixtrans-63.6-33.3174.900000112.9I250 S251 G256I250-A254 WeakPolarHBondContact O-CB 3.34Å; I250-A254 PolarHBondContact O-N 3.37Å; S251-A254 PolarHBondContact O-N 2.82Å; A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.82Å
255A73.3Confident76.1Confident72 Ų7266.8 Ų66.860%0.59542%0.418SS*.THydrogen-bonded Turntrans-79.3-1.7175.900000114S251 N252 F253 S257S251-A255 WeakPolarHBondContact O-CB 3.39Å; S251-A255 PolarHBondContact O-N 3.24Å; N252-A255 PolarHBondContact O-N 2.83Å; F253-A255 VanDerWaalsContact C-N 3.29Å; F253-A255 PolarHBondContact O-N 3.27Å; A255-S257 PolarHBondContact O-N 3.28Å
256G69.4Low75.5Confident55 Ų5565.9 Ų65.957%0.56741%0.413SS*.THydrogen-bonded Turntrans68.312.7-179.400000114.9N252 F253 A254 F258N252-G256 PolarHBondContact O-N 3.11Å; F253-G256 PolarHBondContact O-N 3.32Å; F253-G256 VanDerWaalsContact O-N 3.12Å; A254-G256 VanDerWaalsContact C-N 3.26Å; A254-G256 PolarHBondContact O-N 2.82Å; G256-F258 VanDerWaalsContact C-N 3.27Å; G256-F258 PolarHBondContact O-N 3.4Å
257S65.7Low75.2Confident61 Ų6163.9 Ų63.943%0.42741%0.406SS..  trans-866.9-177.8-65.90000113.7N252 A255 T259 Y260N252-S257 PolarHBondContact O-N 2.85Å; A255-S257 PolarHBondContact O-N 3.28Å; S257-T259 PolarHBondContact O-N 3.29Å; S257-Y260 WeakPolarHBondContact O-CE2 3.34Å
258F64.5Low75Confident17 Ų1762.4 Ų62.48%0.07540%0.396CS..  trans-82.352.5-178.2-150.4-87.7000112L239 I249 F253 G256 Y260 L261 A267 I270L239-F258 HydrophobicContact CD1-CZ 4.26Å; I249-F258 HydrophobicContact CG2-CE2 4.2Å; F253-F258 HydrophobicContact CD2-CB 4.39Å; G256-F258 VanDerWaalsContact C-N 3.27Å; G256-F258 PolarHBondContact O-N 3.4Å; F258-Y260 VanDerWaalsContact C-N 3.35Å; F258-L261 HydrophobicContact CE1-CB 4.07Å; F258-L261 HydrophobicContact CE1-CD1 3.71Å; F258-L261 HydrophobicContact CE1-CG 4.34Å; F258-L261 HydrophobicContact CZ-CD1 3.94Å; F258-A267 HydrophobicContact CD1-CB 3.2Å; F258-A267 HydrophobicContact CE1-CB 3.53Å; F258-A267 HydrophobicContact CG-CB 4.09Å; F258-I270 HydrophobicContact CE1-CD1 4.41Å; F258-I270 HydrophobicContact CZ-CD1 4.23Å; F258-I270 HydrophobicContact CZ-CG2 4.37Å
259T66.4Low74.9Confident109 Ų10962.7 Ų62.767%0.66940%0.395SS*.  trans-88.2-3.3-179.257.60000113.5S257S257-T259 PolarHBondContact O-N 3.29Å
260Y66.2Low75Confident122 Ų12262.8 Ų62.848%0.47840%0.395SS..SBendtrans-76.9-31.4-172.1-52.5-70.5000113Q238 N242 S257 F258Q238-Y260 PolarHBondContact OE1-O 3.44Å; N242-Y260 HydrophobicContact CB-CD2 4.25Å; N242-Y260 HydrophobicContact CB-CE2 4.11Å; N242-Y260 WeakPolarHBondContact ND2-CD1 3.48Å; N242-Y260 WeakPolarHBondContact ND2-CD2 3.3Å; N242-Y260 WeakPolarHBondContact ND2-CE1 3.45Å; N242-Y260 WeakPolarHBondContact ND2-CE2 3.48Å; S257-Y260 WeakPolarHBondContact O-CE2 3.34Å; F258-Y260 VanDerWaalsContact C-N 3.35Å
261L67.3Low75Confident4 Ų460.3 Ų60.32%0.02138%0.383CS..SBendtrans-90.3119.6168.6-86.290.8000108.5L231 D235 L239 F258 S263 L266 I270L231-L261 HydrophobicContact CD2-CD2 4.05Å; D235-L261 HydrophobicContact CB-CD2 4.46Å; D235-L261 HydrophobicContact CB-CG 4.46Å; L239-L261 HydrophobicContact CB-CD1 4.43Å; F258-L261 HydrophobicContact CE1-CB 4.07Å; F258-L261 HydrophobicContact CE1-CD1 3.71Å; F258-L261 HydrophobicContact CE1-CG 4.34Å; F258-L261 HydrophobicContact CZ-CD1 3.94Å; L261-S263 PolarHBondContact O-N 3.01Å; L261-L266 HydrophobicContact CD2-CB 4.18Å; L261-L266 HydrophobicContact CD2-CD1 4.38Å; L261-I270 HydrophobicContact CD2-CD1 3.73Å
262G66.5Low75.2Confident90 Ų9059.9 Ų59.993%0.92838%0.378SS*.SBendtrans-66.414.8-173.500000116.5
263S72.2Confident75.5Confident43 Ų4357.8 Ų57.830%0.30137%0.368SS..  trans-142.8120.6177.159.70000111L261 E265 L266 A267L261-S263 PolarHBondContact O-N 3.01Å; S263-E265 PolarHBondContact O-N 2.84Å; S263-L266 PolarHBondContact O-N 3.47Å; S263-L266 WeakPolarHBondContact OG-CB 3.41Å; S263-L266 WeakPolarHBondContact OG-CD1 3.23Å; S263-L266 WeakPolarHBondContact OG-CG 3.33Å; S263-A267 PolarHBondContact O-N 2.92Å
264D75.8Confident76Confident135 Ų13553.8 Ų53.872%0.72235%0.35SS*.Hα-helixtrans-63.6-29.9179.8-59.8-13.8000112.3A267 S268D264-A267 WeakPolarHBondContact O-CB 3.27Å; D264-A267 PolarHBondContact O-N 2.98Å; D264-S268 PolarHBondContact O-N 3.46Å
265E80.8Confident76.6Confident134 Ų13455.8 Ų55.863%0.62635%0.345SS*.Hα-helixtrans-59.4-48.5175.3-66.7-176.6-173.400111.6S263 A267 S268 L269S263-E265 PolarHBondContact O-N 2.84Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 3.11Å; E265-S268 PolarHBondContact O-N 3.29Å; E265-S268 PolarHBondContact O-OG 3.28Å; E265-L269 WeakPolarHBondContact O-CG 3.4Å; E265-L269 PolarHBondContact O-N 3.03Å; E265-L269 VanDerWaalsContact O-N 3.12Å
266L77.8Confident77.3Confident40 Ų4057.7 Ų57.721%0.20935%0.345CS..Hα-helixtrans-64.2-37.2178.5-66.5-177.9000111.4L261 S263 L269 I270L261-L266 HydrophobicContact CD2-CB 4.18Å; L261-L266 HydrophobicContact CD2-CD1 4.38Å; S263-L266 PolarHBondContact O-N 3.47Å; S263-L266 WeakPolarHBondContact OG-CB 3.41Å; S263-L266 WeakPolarHBondContact OG-CD1 3.23Å; S263-L266 WeakPolarHBondContact OG-CG 3.33Å; L266-L269 PolarHBondContact O-N 3.27Å; L266-I270 WeakPolarHBondContact O-CD1 3.36Å; L266-I270 WeakPolarHBondContact O-CG1 3.2Å; L266-I270 PolarHBondContact O-N 2.93Å
267A80.2Confident78.1Confident3 Ų355.7 Ų55.73%0.02532%0.322CS..Hα-helixtrans-59.5-47.8176.300000112F253 F258 S263 D264 E265 L269 I270 A271F253-A267 HydrophobicContact CD2-CB 4.18Å; F253-A267 HydrophobicContact CE2-CB 3.89Å; F258-A267 HydrophobicContact CD1-CB 3.2Å; F258-A267 HydrophobicContact CE1-CB 3.53Å; F258-A267 HydrophobicContact CG-CB 4.09Å; S263-A267 PolarHBondContact O-N 2.92Å; D264-A267 WeakPolarHBondContact O-CB 3.27Å; D264-A267 PolarHBondContact O-N 2.98Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 3.11Å; A267-L269 VanDerWaalsContact C-N 3.32Å; A267-L269 PolarHBondContact O-N 3.08Å; A267-I270 PolarHBondContact O-N 3.46Å; A267-A271 PolarHBondContact O-N 3.46Å
268S82.3Confident79.1Confident50 Ų5059.1 Ų59.135%0.3534%0.34SS..Hα-helixtrans-62.6-39.1178.174.70000112.4D264 E265 A271 T272D264-S268 PolarHBondContact O-N 3.46Å; E265-S268 PolarHBondContact O-N 3.29Å; E265-S268 PolarHBondContact O-OG 3.28Å; S268-A271 PolarHBondContact O-N 2.9Å; S268-T272 WeakPolarHBondContact O-CG2 3.37Å; S268-T272 PolarHBondContact O-N 2.83Å; S268-T272 PolarHBondContact O-OG1 3.34Å; S268-T272 VanDerWaalsContact O-OG1 3.14Å
269L83.9Confident80.3Confident40 Ų4058.9 Ų58.921%0.20934%0.342CS..Hα-helixtrans-66.9-38.2177.9-76.5177.9000112.4F225 Q228 E265 L266 A267 T272 A273F225-L269 HydrophobicContact CE1-CB 3.84Å; F225-L269 HydrophobicContact CE1-CD1 4.39Å; F225-L269 HydrophobicContact CE1-CD2 4.43Å; F225-L269 HydrophobicContact CE1-CG 4.45Å; F225-L269 HydrophobicContact CZ-CB 4.39Å; Q228-L269 VanDerWaalsContact OE1-CD1 3.26Å; E265-L269 WeakPolarHBondContact O-CG 3.4Å; E265-L269 PolarHBondContact O-N 3.03Å; E265-L269 VanDerWaalsContact O-N 3.12Å; L266-L269 PolarHBondContact O-N 3.27Å; A267-L269 VanDerWaalsContact C-N 3.32Å; A267-L269 PolarHBondContact O-N 3.08Å; L269-T272 PolarHBondContact O-OG1 2.93Å; L269-A273 WeakPolarHBondContact O-CB 3.39Å; L269-A273 PolarHBondContact O-N 3.32Å
270I84.3Confident81.4Confident2 Ų256.3 Ų56.31%0.0133%0.333CS..Hα-helixtrans-69.6-41.8175.7-67.8162.6000110.5F217 V220 L231 L239 I249 F258 L261 L266 A267 A273 A274F217-I270 HydrophobicContact CE1-CG2 4.08Å; F217-I270 HydrophobicContact CZ-CG2 4.44Å; V220-I270 HydrophobicContact CG2-CG1 4.49Å; V220-I270 HydrophobicContact CG2-CG2 4.33Å; L231-I270 HydrophobicContact CD2-CD1 4.01Å; L239-I270 HydrophobicContact CD1-CD1 3.99Å; L239-I270 HydrophobicContact CD1-CG2 3.91Å; I249-I270 HydrophobicContact CG2-CG2 4.12Å; F258-I270 HydrophobicContact CE1-CD1 4.41Å; F258-I270 HydrophobicContact CZ-CD1 4.23Å; F258-I270 HydrophobicContact CZ-CG2 4.37Å; L261-I270 HydrophobicContact CD2-CD1 3.73Å; L266-I270 WeakPolarHBondContact O-CD1 3.36Å; L266-I270 WeakPolarHBondContact O-CG1 3.2Å; L266-I270 PolarHBondContact O-N 2.93Å; A267-I270 PolarHBondContact O-N 3.46Å; I270-A273 PolarHBondContact O-N 3.16Å; I270-A274 WeakPolarHBondContact O-CB 3.15Å; I270-A274 PolarHBondContact O-N 3.18Å
271A85.1Confident82.5Confident5 Ų558.7 Ų58.74%0.04135%0.348CS..Hα-helixtrans-63.2-44178.700000112.1F253 A267 S268 A274 Q275F253-A271 HydrophobicContact CB-CB 4.19Å; F253-A271 HydrophobicContact CD1-CB 3.75Å; F253-A271 HydrophobicContact CD2-CB 4.04Å; F253-A271 HydrophobicContact CE1-CB 4.12Å; F253-A271 HydrophobicContact CE2-CB 4.4Å; F253-A271 HydrophobicContact CG-CB 3.71Å; F253-A271 HydrophobicContact CZ-CB 4.44Å; A267-A271 PolarHBondContact O-N 3.46Å; S268-A271 PolarHBondContact O-N 2.9Å; A271-A274 PolarHBondContact O-N 2.96Å; A271-Q275 PolarHBondContact O-N 3.5Å; A271-Q275 VanDerWaalsContact O-N 3.17Å
272T86.4Confident83.6Confident55 Ų5560.2 Ų60.234%0.33736%0.356SS..Hα-helixtrans-63.1-42.917453.20000111.6S268 L269 A274 Q275 D276S268-T272 WeakPolarHBondContact O-CG2 3.37Å; S268-T272 PolarHBondContact O-N 2.83Å; S268-T272 PolarHBondContact O-OG1 3.34Å; S268-T272 VanDerWaalsContact O-OG1 3.14Å; L269-T272 PolarHBondContact O-OG1 2.93Å; T272-A274 VanDerWaalsContact C-N 3.28Å; T272-A274 PolarHBondContact O-N 3.37Å; T272-Q275 PolarHBondContact O-N 2.95Å; T272-D276 PolarHBondContact O-N 3.03Å; T272-D276 VanDerWaalsContact O-N 3.13Å
273A86.3Confident84.8Confident5 Ų558.4 Ų58.44%0.04133%0.329CS..Hα-helixtrans-63.7-32174.800000113.2F217 E219 F225 L269 I270 D276 S277F217-A273 HydrophobicContact CE2-CB 3.99Å; F217-A273 WeakPolarHBondContact CE2-O 3.46Å; F217-A273 HydrophobicContact CZ-CB 3.93Å; E219-A273 HydrophobicContact CB-CB 4.22Å; F225-A273 HydrophobicContact CE2-CB 3.91Å; F225-A273 HydrophobicContact CZ-CB 3.8Å; L269-A273 WeakPolarHBondContact O-CB 3.39Å; L269-A273 PolarHBondContact O-N 3.32Å; I270-A273 PolarHBondContact O-N 3.16Å; A273-D276 PolarHBondContact O-N 3.14Å; A273-S277 VanDerWaalsContact O-CB 3.31Å; A273-S277 WeakPolarHBondContact O-CB 3.43Å; A273-S277 PolarHBondContact O-N 3.17Å
274A87.1Confident85.6Confident1 Ų164.5 Ų64.51%0.00835%0.353CS..Hα-helixtrans-69.9-35178.100000112.1F217 I249 I250 I270 A271 T272F217-A274 HydrophobicContact CE1-CB 4.12Å; F217-A274 HydrophobicContact CE2-CB 4.49Å; F217-A274 HydrophobicContact CZ-CB 3.76Å; I249-A274 HydrophobicContact CG2-CB 4.36Å; I250-A274 HydrophobicContact CD1-CB 4.43Å; I250-A274 HydrophobicContact CG1-CB 4.15Å; I270-A274 WeakPolarHBondContact O-CB 3.15Å; I270-A274 PolarHBondContact O-N 3.18Å; A271-A274 PolarHBondContact O-N 2.96Å; T272-A274 VanDerWaalsContact C-N 3.28Å; T272-A274 PolarHBondContact O-N 3.37Å
275Q87Confident86.4Confident129 Ų12965.3 Ų65.360%0.60335%0.352SS*.Hα-helixtrans-67.5-40.2173.2-69.4176.8-700111.8I250 A271 T272 S277I250-Q275 HydrophobicContact CD1-CG 3.86Å; I250-Q275 HydrophobicContact CG1-CG 4.19Å; A271-Q275 PolarHBondContact O-N 3.5Å; A271-Q275 VanDerWaalsContact O-N 3.17Å; T272-Q275 PolarHBondContact O-N 2.95Å; Q275-S277 VanDerWaalsContact C-N 3.34Å
276D87.4Confident87Confident112 Ų11263 Ų6360%0.59934%0.344SS*.SBendtrans-83.3-5.8-179.2-65.5-21.6000113.9T272 A273T272-D276 PolarHBondContact O-N 3.03Å; T272-D276 VanDerWaalsContact O-N 3.13Å; A273-D276 PolarHBondContact O-N 3.14Å
277S87.2Confident87.6Confident12 Ų1261.6 Ų61.68%0.08434%0.338CS..  trans-71.3135.2-167.2-171.90000113.3E219 R246 A273 Q275 G279E219-S277 WeakPolarHBondContact OE2-CB 3.38Å; E219-S277 PolarHBondContact OE2-OG 3.44Å; R246-S277 PolarHBondContact NH1-O 3.39Å; A273-S277 VanDerWaalsContact O-CB 3.31Å; A273-S277 WeakPolarHBondContact O-CB 3.43Å; A273-S277 PolarHBondContact O-N 3.17Å; Q275-S277 VanDerWaalsContact C-N 3.34Å; S277-G279 PolarHBondContact OG-N 3.38Å
278V87.5Confident88.2Confident133 Ų13366.2 Ų66.281%0.80636%0.359SS*.  trans-100.84.2-179.2-169.70000112
279G88.6Confident88.7Confident12 Ų1268.2 Ų68.212%0.12437%0.365CS..PPolyproline II helixtrans-68.6158.1-175.900000114.3H216 R246 S277H216-G279 WeakPolarHBondContact O-CA 3.33Å; R246-G279 PolarHBondContact NH2-O 3Å; R246-G279 VanDerWaalsContact NH2-O 3.14Å; S277-G279 PolarHBondContact OG-N 3.38Å
280A90.1Very high89.2Confident56 Ų5667.4 Ų67.446%0.46336%0.361SS..PPolyproline II helixtrans-65.1149.3-178.900000111.5I215 H216I215-A280 HydrophobicContact CG2-CB 4.12Å; I215-A280 PolarHBondContact O-N 3.16Å; H216-A280 WeakPolarHBondContact CA-O 3.42Å; H216-A280 PolarHBondContact ND1-O 2.77Å
281E89.6Confident89.6Confident172 Ų17269.8 Ų69.880%0.80437%0.372SS*.PPolyproline II helixtrans-74.6137.7176.3-63.9-177.2170.500110.8
282L89.2Confident90.1Very high35 Ų3574.9 Ų74.918%0.18339%0.393CS..PPolyproline II helixtrans-82.9138.3177.5-74.8167.3000109.9Y213 H216 L245 D286 L290Y213-L282 HydrophobicContact CE2-CD1 4.29Å; H216-L282 HydrophobicContact CB-CD1 3.72Å; H216-L282 HydrophobicContact CB-CD2 4.06Å; H216-L282 HydrophobicContact CB-CG 3.65Å; H216-L282 VanDerWaalsContact CD2-CD1 3.42Å; H216-L282 WeakPolarHBondContact CD2-CD1 3.38Å; H216-L282 VanDerWaalsContact CG-CD1 3.42Å; H216-L282 VanDerWaalsContact CG-CG 3.48Å; L245-L282 HydrophobicContact CD2-CB 4.3Å; L282-D286 HydrophobicContact CD2-CB 4.41Å; L282-L290 HydrophobicContact CD1-CD1 4.03Å; L282-L290 HydrophobicContact CD2-CD1 3.9Å
283S91.3Very high90.5Very high52 Ų5276.6 Ų76.636%0.36439%0.394SS..PPolyproline II helixtrans-66.9156.8167.3760000110.7E285 D286 C287S283-E285 VanDerWaalsContact C-N 3.3Å; S283-E285 PolarHBondContact O-N 2.95Å; S283-D286 PolarHBondContact O-N 3.29Å; S283-D286 VanDerWaalsContact OG-CB 3.27Å; S283-D286 WeakPolarHBondContact OG-CB 3.26Å; S283-D286 PolarHBondContact OG-N 3.31Å; S283-D286 VanDerWaalsContact OG-N 3.08Å; S283-D286 PolarHBondContact OG-OD2 2.88Å; S283-C287 WeakPolarHBondContact O-CB 3.4Å; S283-C287 PolarHBondContact O-N 2.88Å
284E89.7Confident90.9Very high172 Ų17276.3 Ų76.380%0.80439%0.392SS*.Hα-helixtrans-62.5-38.5177.3-65.3-177.1174.400111.7C287 E288E284-C287 WeakPolarHBondContact O-CB 3.21Å; E284-C287 PolarHBondContact O-N 3.5Å; E284-E288 PolarHBondContact O-N 2.94Å
285E92Very high91.2Very high152 Ų15280.6 Ų80.671%0.7141%0.412SS*.Hα-helixtrans-64.4-45176.8-62.4-176.1-177.300112.1S283 C287 E288 N289S283-E285 VanDerWaalsContact C-N 3.3Å; S283-E285 PolarHBondContact O-N 2.95Å; E285-C287 VanDerWaalsContact C-N 3.34Å; E285-E288 PolarHBondContact O-N 3.42Å; E285-N289 PolarHBondContact O-N 2.75Å; E285-N289 PolarHBondContact O-ND2 3.47Å; E285-N289 VanDerWaalsContact O-ND2 3.08Å
286D93.3Very high91.6Very high84 Ų8481.5 Ų81.545%0.44941%0.41SS..Hα-helixtrans-67.1-38.3178.3-68.1-41000111.6L282 S283 N289 L290L282-D286 HydrophobicContact CD2-CB 4.41Å; S283-D286 PolarHBondContact O-N 3.29Å; S283-D286 VanDerWaalsContact OG-CB 3.27Å; S283-D286 WeakPolarHBondContact OG-CB 3.26Å; S283-D286 PolarHBondContact OG-N 3.31Å; S283-D286 VanDerWaalsContact OG-N 3.08Å; S283-D286 PolarHBondContact OG-OD2 2.88Å; D286-N289 PolarHBondContact O-N 3.34Å; D286-L290 WeakPolarHBondContact O-CB 3.27Å; D286-L290 VanDerWaalsContact O-CG 3.28Å; D286-L290 WeakPolarHBondContact O-CG 3.22Å; D286-L290 PolarHBondContact O-N 3.22Å
287C91.3Very high91.9Very high11 Ų1176.3 Ų76.37%0.07438%0.382CS..Hα-helixtrans-56.7-50.9174.9176.90000111.1P244 S283 E284 E285 N289 L290 Q291P244-C287 WeakPolarHBondContact CG-SG 3.06Å; S283-C287 WeakPolarHBondContact O-CB 3.4Å; S283-C287 PolarHBondContact O-N 2.88Å; E284-C287 WeakPolarHBondContact O-CB 3.21Å; E284-C287 PolarHBondContact O-N 3.5Å; E285-C287 VanDerWaalsContact C-N 3.34Å; C287-N289 VanDerWaalsContact C-N 3.34Å; C287-N289 PolarHBondContact O-N 2.87Å; C287-L290 PolarHBondContact O-N 3.25Å; C287-Q291 WeakPolarHBondContact O-CG 3.41Å; C287-Q291 PolarHBondContact O-N 3.14Å
288E93.3Very high92.2Very high101 Ų10177.3 Ų77.347%0.47239%0.387SS..Hα-helixtrans-61.2-42175.9-74.3-167.9-167.300112.4E284 E285 Q291 K292E284-E288 PolarHBondContact O-N 2.94Å; E285-E288 PolarHBondContact O-N 3.42Å; E288-Q291 PolarHBondContact O-N 3.49Å; E288-K292 WeakPolarHBondContact O-CB 3.33Å; E288-K292 VanDerWaalsContact O-CG 3.23Å; E288-K292 WeakPolarHBondContact O-CG 3.35Å; E288-K292 PolarHBondContact O-N 3.4Å; E288-K292 IonicContact OE2-NZ 2.78Å; E288-K292 PolarHBondContact OE2-NZ 2.89Å
289N93.4Very high92.6Very high91 Ų9175.7 Ų75.749%0.48737%0.37SS..Hα-helixtrans-63.9-43.2180-72.7-31.8000111.7E285 D286 C287 K292 Y293E285-N289 PolarHBondContact O-N 2.75Å; E285-N289 PolarHBondContact O-ND2 3.47Å; E285-N289 VanDerWaalsContact O-ND2 3.08Å; D286-N289 PolarHBondContact O-N 3.34Å; C287-N289 VanDerWaalsContact C-N 3.34Å; C287-N289 PolarHBondContact O-N 2.87Å; N289-K292 PolarHBondContact O-N 3.24Å; N289-Y293 WeakPolarHBondContact O-CB 3.28Å; N289-Y293 PolarHBondContact O-N 3.04Å
290L93.6Very high92.8Very high23 Ų2377.1 Ų77.112%0.1237%0.374CS..Hα-helixtrans-65.4-42.7176.5-71.8172.5000111.7L209 C212 Y213 I240 L282 D286 C287 Y293 A294L209-L290 HydrophobicContact CD1-CD2 3.64Å; C212-L290 HydrophobicContact CB-CD2 4.15Å; Y213-L290 HydrophobicContact CD2-CD1 4.46Å; I240-L290 HydrophobicContact CG2-CB 4.28Å; L282-L290 HydrophobicContact CD1-CD1 4.03Å; L282-L290 HydrophobicContact CD2-CD1 3.9Å; D286-L290 WeakPolarHBondContact O-CB 3.27Å; D286-L290 VanDerWaalsContact O-CG 3.28Å; D286-L290 WeakPolarHBondContact O-CG 3.22Å; D286-L290 PolarHBondContact O-N 3.22Å; C287-L290 PolarHBondContact O-N 3.25Å; L290-Y293 PolarHBondContact O-N 3.33Å; L290-A294 VanDerWaalsContact O-CB 3.29Å; L290-A294 WeakPolarHBondContact O-CB 3.42Å; L290-A294 PolarHBondContact O-N 2.91Å
291Q93.5Very high92.9Very high53 Ų5376 Ų7625%0.24836%0.361CS..Hα-helixtrans-60.4-50.6174.2-78.7177.6-24.700111.6P244 C287 E288 Y293 A294 Q295P244-Q291 HydrophobicContact CB-CG 4.15Å; P244-Q291 HydrophobicContact CG-CG 3.58Å; P244-Q291 VanDerWaalsContact CG-NE2 3.28Å; C287-Q291 WeakPolarHBondContact O-CG 3.41Å; C287-Q291 PolarHBondContact O-N 3.14Å; E288-Q291 PolarHBondContact O-N 3.49Å; Q291-Y293 VanDerWaalsContact C-N 3.28Å; Q291-Y293 PolarHBondContact O-N 3.2Å; Q291-A294 PolarHBondContact O-N 3.42Å; Q291-Q295 WeakPolarHBondContact O-CB 3.36Å; Q291-Q295 VanDerWaalsContact O-CG 3.29Å; Q291-Q295 WeakPolarHBondContact O-CG 3.42Å; Q291-Q295 PolarHBondContact O-N 3.13Å
292K94.2Very high93Very high111 Ų11172.7 Ų72.748%0.48335%0.345SS..Hα-helixtrans-58.3-42178.2-72.4166.5-168.5158.60111E288 N289 R296E288-K292 WeakPolarHBondContact O-CB 3.33Å; E288-K292 VanDerWaalsContact O-CG 3.23Å; E288-K292 WeakPolarHBondContact O-CG 3.35Å; E288-K292 PolarHBondContact O-N 3.4Å; E288-K292 IonicContact OE2-NZ 2.78Å; E288-K292 PolarHBondContact OE2-NZ 2.89Å; N289-K292 PolarHBondContact O-N 3.24Å; K292-R296 PolarHBondContact O-N 2.84Å
293Y95Very high93.1Very high91 Ų9172.4 Ų72.436%0.35735%0.348SS..Hα-helixtrans-66.2-44.9176.6-169.7-102.3000112.3S205 L209 N289 L290 Q291 R296 L297S205-Y293 VanDerWaalsContact CB-OH 3.23Å; S205-Y293 WeakPolarHBondContact CB-OH 3.27Å; S205-Y293 PolarHBondContact OG-OH 3.48Å; L209-Y293 HydrophobicContact CB-CD1 4.24Å; L209-Y293 HydrophobicContact CB-CE1 4.06Å; L209-Y293 HydrophobicContact CD1-CD1 3.96Å; L209-Y293 HydrophobicContact CD2-CD1 4.26Å; L209-Y293 HydrophobicContact CG-CD1 4.37Å; N289-Y293 WeakPolarHBondContact O-CB 3.28Å; N289-Y293 PolarHBondContact O-N 3.04Å; L290-Y293 PolarHBondContact O-N 3.33Å; Q291-Y293 VanDerWaalsContact C-N 3.28Å; Q291-Y293 PolarHBondContact O-N 3.2Å; Y293-R296 WeakPolarHBondContact O-CB 3.42Å; Y293-R296 PolarHBondContact O-N 3.43Å; Y293-R296 VanDerWaalsContact O-N 3.17Å; Y293-L297 HydrophobicContact CD1-CD1 4.14Å; Y293-L297 HydrophobicContact CD1-CG 4.37Å; Y293-L297 HydrophobicContact CE1-CD1 3.8Å; Y293-L297 HydrophobicContact CE1-CD2 4.4Å; Y293-L297 HydrophobicContact CE1-CG 4.18Å; Y293-L297 WeakPolarHBondContact O-CG 3.45Å; Y293-L297 PolarHBondContact O-N 3.35Å
294A94.4Very high93.2Very high0 Ų072.1 Ų72.10%034%0.34CS..Hα-helixtrans-62.8-44.2177.600000111.9L209 V237 I240 A241 L290 Q291 R296 L297 L298L209-A294 HydrophobicContact CD2-CB 3.95Å; V237-A294 HydrophobicContact CG1-CB 4.24Å; V237-A294 WeakPolarHBondContact CG1-O 3.45Å; I240-A294 HydrophobicContact CB-CB 4.05Å; I240-A294 HydrophobicContact CG2-CB 3.79Å; A241-A294 HydrophobicContact CB-CB 3.88Å; L290-A294 VanDerWaalsContact O-CB 3.29Å; L290-A294 WeakPolarHBondContact O-CB 3.42Å; L290-A294 PolarHBondContact O-N 2.91Å; Q291-A294 PolarHBondContact O-N 3.42Å; A294-R296 VanDerWaalsContact C-N 3.27Å; A294-R296 PolarHBondContact O-N 3.07Å; A294-L297 WeakPolarHBondContact O-CB 3.44Å; A294-L297 PolarHBondContact O-N 3.01Å; A294-L298 PolarHBondContact O-N 3.1Å
295Q94.8Very high93.2Very high91 Ų9167.4 Ų67.443%0.42532%0.318SS..Hα-helixtrans-57.8-40.5172.7-72.4173.94.200111.6A241 Q291 L297 L298 Q299A241-Q295 HydrophobicContact CB-CG 4.1Å; Q291-Q295 WeakPolarHBondContact O-CB 3.36Å; Q291-Q295 VanDerWaalsContact O-CG 3.29Å; Q291-Q295 WeakPolarHBondContact O-CG 3.42Å; Q291-Q295 PolarHBondContact O-N 3.13Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.32Å; Q295-L298 PolarHBondContact O-N 2.99Å; Q295-Q299 WeakPolarHBondContact O-CG 3.19Å; Q295-Q299 PolarHBondContact O-N 2.96Å
296R94.3Very high93.3Very high148 Ų14867.9 Ų67.956%0.55831%0.313SS*.Hα-helixtrans-62.8-38.1175.1-174.957.4174.9179.7-2.1112.3K292 Y293 A294 Q299 M300K292-R296 PolarHBondContact O-N 2.84Å; Y293-R296 WeakPolarHBondContact O-CB 3.42Å; Y293-R296 PolarHBondContact O-N 3.43Å; Y293-R296 VanDerWaalsContact O-N 3.17Å; A294-R296 VanDerWaalsContact C-N 3.27Å; A294-R296 PolarHBondContact O-N 3.07Å; R296-Q299 WeakPolarHBondContact O-CB 3.46Å; R296-Q299 PolarHBondContact O-N 2.91Å; R296-M300 WeakPolarHBondContact O-CG 3.17Å; R296-M300 PolarHBondContact O-N 2.94Å
297L94.7Very high93.2Very high2 Ų268.3 Ų68.31%0.0131%0.309CS..Hα-helixtrans-67.9-37.3175.4-63.7-175.3000112.7L202 L209 V237 Y293 A294 Q295 M300 N301L202-L297 HydrophobicContact CD1-CB 4.43Å; L209-L297 HydrophobicContact CB-CD1 4.37Å; L209-L297 HydrophobicContact CD2-CD1 3.89Å; V237-L297 HydrophobicContact CG1-CB 3.77Å; V237-L297 HydrophobicContact CG1-CD1 4.47Å; V237-L297 HydrophobicContact CG2-CD1 4.09Å; Y293-L297 HydrophobicContact CD1-CD1 4.14Å; Y293-L297 HydrophobicContact CD1-CG 4.37Å; Y293-L297 HydrophobicContact CE1-CD1 3.8Å; Y293-L297 HydrophobicContact CE1-CD2 4.4Å; Y293-L297 HydrophobicContact CE1-CG 4.18Å; Y293-L297 WeakPolarHBondContact O-CG 3.45Å; Y293-L297 PolarHBondContact O-N 3.35Å; A294-L297 WeakPolarHBondContact O-CB 3.44Å; A294-L297 PolarHBondContact O-N 3.01Å; Q295-L297 VanDerWaalsContact C-N 3.32Å; Q295-L297 PolarHBondContact O-N 3.32Å; L297-M300 HydrophobicContact CD2-SD 4.11Å; L297-M300 WeakPolarHBondContact O-CB 3.39Å; L297-M300 PolarHBondContact O-N 3.31Å; L297-N301 PolarHBondContact O-N 3.09Å
298L93.4Very high93.2Very high34 Ų3469 Ų6918%0.17831%0.313CS..Hα-helixtrans-61.2-46.3171.9-64.8178.4000111.3M234 V237 Q238 A241 A294 Q295 M300 N301 E302M234-L298 HydrophobicContact CE-CD2 3.92Å; V237-L298 HydrophobicContact CB-CD2 4.4Å; V237-L298 HydrophobicContact CG1-CD2 3.72Å; V237-L298 HydrophobicContact CG1-CG 3.84Å; Q238-L298 HydrophobicContact CG-CD1 4.32Å; Q238-L298 HydrophobicContact CG-CD2 3.52Å; A241-L298 HydrophobicContact CB-CD1 3.6Å; A294-L298 PolarHBondContact O-N 3.1Å; Q295-L298 PolarHBondContact O-N 2.99Å; L298-M300 VanDerWaalsContact C-N 3.28Å; L298-M300 PolarHBondContact O-N 3.46Å; L298-N301 PolarHBondContact O-N 3.43Å; L298-N301 VanDerWaalsContact O-N 3.1Å; L298-E302 PolarHBondContact O-N 3.11Å
299Q94.2Very high93.1Very high98 Ų9868.2 Ų68.246%0.45831%0.312SS..Hα-helixtrans-58.4-39.3174.3-69.2173.37.700112.2Q295 R296 E302 A303Q295-Q299 WeakPolarHBondContact O-CG 3.19Å; Q295-Q299 PolarHBondContact O-N 2.96Å; R296-Q299 WeakPolarHBondContact O-CB 3.46Å; R296-Q299 PolarHBondContact O-N 2.91Å; Q299-E302 PolarHBondContact O-N 3.03Å; Q299-A303 WeakPolarHBondContact O-CB 3.39Å; Q299-A303 PolarHBondContact O-N 2.91Å
300M93.3Very high92.9Very high42 Ų4265.5 Ų65.521%0.20730%0.3CS..Hα-helixtrans-64.7-40.7175.2-73.8-179.36600112.1L198 L202 R296 L297 L298 A303 K304L198-M300 HydrophobicContact CD2-CE 4.25Å; L202-M300 HydrophobicContact CD1-CB 4.41Å; R296-M300 WeakPolarHBondContact O-CG 3.17Å; R296-M300 PolarHBondContact O-N 2.94Å; L297-M300 HydrophobicContact CD2-SD 4.11Å; L297-M300 WeakPolarHBondContact O-CB 3.39Å; L297-M300 PolarHBondContact O-N 3.31Å; L298-M300 VanDerWaalsContact C-N 3.28Å; L298-M300 PolarHBondContact O-N 3.46Å; M300-A303 PolarHBondContact O-N 3.31Å; M300-K304 PolarHBondContact O-N 2.96Å
301N91.9Very high92.8Very high34 Ų3464.5 Ų64.518%0.18230%0.295CS..Hα-helixtrans-66.3-40.1175.6-17653.1000112.1L202 M234 L297 L298 A303 K304 Q305L202-N301 HydrophobicContact CD1-CB 4.45Å; L202-N301 HydrophobicContact CD2-CB 4.31Å; M234-N301 HydrophobicContact CE-CB 3.41Å; M234-N301 VanDerWaalsContact CE-CB 3.41Å; M234-N301 VanDerWaalsContact CE-CG 3.49Å; M234-N301 WeakPolarHBondContact CE-ND2 3.35Å; M234-N301 HydrophobicContact SD-CB 4.15Å; L297-N301 PolarHBondContact O-N 3.09Å; L298-N301 PolarHBondContact O-N 3.43Å; L298-N301 VanDerWaalsContact O-N 3.1Å; N301-A303 VanDerWaalsContact C-N 3.34Å; N301-A303 PolarHBondContact O-N 3.44Å; N301-K304 WeakPolarHBondContact O-CB 3.47Å; N301-K304 PolarHBondContact O-N 2.8Å; N301-Q305 WeakPolarHBondContact O-CG 3.43Å; N301-Q305 PolarHBondContact O-N 3.42Å
302E92.8Very high92.7Very high101 Ų10163.3 Ų63.347%0.47229%0.293SS..Hα-helixtrans-60.1-43.8171.6-71.4-179.6-164.400112L298 Q299 K304 Q305 R306L298-E302 PolarHBondContact O-N 3.11Å; Q299-E302 PolarHBondContact O-N 3.03Å; E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 2.84Å; E302-Q305 PolarHBondContact O-N 2.83Å; E302-Q305 VanDerWaalsContact O-N 3.16Å; E302-R306 WeakPolarHBondContact O-CG 3.48Å; E302-R306 PolarHBondContact O-N 2.73Å; E302-R306 IonicContact OE2-NH2 2.62Å; E302-R306 PolarHBondContact OE2-NH2 2.92Å; E302-R306 VanDerWaalsContact OE2-NH2 3.15Å
303A91.7Very high92.5Very high29 Ų2967.2 Ų67.224%0.2430%0.304CS..Hα-helixtrans-60.4-43.2176.600000111.4Q299 M300 N301 Q305 R306 Y307Q299-A303 WeakPolarHBondContact O-CB 3.39Å; Q299-A303 PolarHBondContact O-N 2.91Å; M300-A303 PolarHBondContact O-N 3.31Å; N301-A303 VanDerWaalsContact C-N 3.34Å; N301-A303 PolarHBondContact O-N 3.44Å; A303-Q305 VanDerWaalsContact C-N 3.34Å; A303-Q305 PolarHBondContact O-N 3.43Å; A303-R306 WeakPolarHBondContact O-CB 3.38Å; A303-R306 PolarHBondContact O-N 3.25Å; A303-Y307 HydrophobicContact CB-CE2 4.42Å; A303-Y307 WeakPolarHBondContact O-CD2 3.27Å; A303-Y307 PolarHBondContact O-N 3.12Å
304K91.9Very high92.3Very high46 Ų4668.6 Ų68.620%0.231%0.309CS..Hα-helixtrans-54.2-49.2171.6174.1-164.4171.9164.80111.3D199 M300 N301 E302 R306 Y307 V308D199-K304 WeakPolarHBondContact OD1-CD 3.37Å; D199-K304 WeakPolarHBondContact OD1-CE 3.16Å; D199-K304 IonicContact OD1-NZ 3.16Å; D199-K304 PolarHBondContact OD1-NZ 3.37Å; D199-K304 IonicContact OD2-NZ 3.51Å; M300-K304 PolarHBondContact O-N 2.96Å; N301-K304 WeakPolarHBondContact O-CB 3.47Å; N301-K304 PolarHBondContact O-N 2.8Å; E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 2.84Å; K304-R306 VanDerWaalsContact C-N 3.32Å; K304-R306 PolarHBondContact O-N 3.2Å; K304-Y307 WeakPolarHBondContact O-CB 3.22Å; K304-Y307 PolarHBondContact O-N 3.27Å; K304-Y307 VanDerWaalsContact O-N 3.08Å; K304-V308 WeakPolarHBondContact O-CG2 3.35Å; K304-V308 PolarHBondContact O-N 2.96Å
305Q91Very high92.1Very high73 Ų7368.6 Ų68.634%0.34131%0.309SS..Hα-helixtrans-61.3-39178.8-65-60.4-1600112.3N301 E302 A303 Y307 V308 N309N301-Q305 WeakPolarHBondContact O-CG 3.43Å; N301-Q305 PolarHBondContact O-N 3.42Å; E302-Q305 PolarHBondContact O-N 2.83Å; E302-Q305 VanDerWaalsContact O-N 3.16Å; A303-Q305 VanDerWaalsContact C-N 3.34Å; A303-Q305 PolarHBondContact O-N 3.43Å; Q305-Y307 VanDerWaalsContact C-N 3.32Å; Q305-Y307 PolarHBondContact O-N 2.96Å; Q305-V308 PolarHBondContact O-N 3.3Å; Q305-N309 WeakPolarHBondContact O-CB 3.24Å; Q305-N309 VanDerWaalsContact O-CG 3.3Å; Q305-N309 PolarHBondContact O-N 3.46Å; Q305-N309 PolarHBondContact O-ND2 3Å
306R93Very high91.9Very high163 Ų16367.5 Ų67.562%0.61531%0.309SS*.Hα-helixtrans-60.2-40.6173.3-65.4173.4-160175.47.9111.7E302 A303 K304 N309 S310E302-R306 WeakPolarHBondContact O-CG 3.48Å; E302-R306 PolarHBondContact O-N 2.73Å; E302-R306 IonicContact OE2-NH2 2.62Å; E302-R306 PolarHBondContact OE2-NH2 2.92Å; E302-R306 VanDerWaalsContact OE2-NH2 3.15Å; A303-R306 WeakPolarHBondContact O-CB 3.38Å; A303-R306 PolarHBondContact O-N 3.25Å; K304-R306 VanDerWaalsContact C-N 3.32Å; K304-R306 PolarHBondContact O-N 3.2Å; R306-N309 PolarHBondContact O-N 3.37Å; R306-S310 WeakPolarHBondContact O-CB 3.43Å; R306-S310 PolarHBondContact O-N 2.87Å
307Y92.2Very high91.6Very high92 Ų9264.5 Ų64.536%0.36131%0.31SS..Hα-helixtrans-68-40175.7-68.6-57.9000112.9L194 L198 A303 K304 Q305 N309 S310 L311L194-Y307 HydrophobicContact CD1-CE1 4.4Å; L198-Y307 HydrophobicContact CD1-CD2 3.4Å; L198-Y307 HydrophobicContact CD1-CE2 3.51Å; A303-Y307 HydrophobicContact CB-CE2 4.42Å; A303-Y307 WeakPolarHBondContact O-CD2 3.27Å; A303-Y307 PolarHBondContact O-N 3.12Å; K304-Y307 WeakPolarHBondContact O-CB 3.22Å; K304-Y307 PolarHBondContact O-N 3.27Å; K304-Y307 VanDerWaalsContact O-N 3.08Å; Q305-Y307 VanDerWaalsContact C-N 3.32Å; Q305-Y307 PolarHBondContact O-N 2.96Å; Y307-N309 VanDerWaalsContact C-N 3.34Å; Y307-N309 PolarHBondContact O-N 3.33Å; Y307-S310 PolarHBondContact O-N 2.96Å; Y307-L311 WeakPolarHBondContact O-CB 3.31Å; Y307-L311 PolarHBondContact O-N 3.11Å
308V90.9Very high91.3Very high25 Ų2565.8 Ų65.815%0.15232%0.317CS..Hα-helixtrans-62.5-41.4175.21740000111.2I195 K304 Q305 L311 S312I195-V308 HydrophobicContact CD1-CG2 4.05Å; I195-V308 HydrophobicContact CG1-CG2 4.44Å; I195-V308 HydrophobicContact CG2-CG2 4.49Å; K304-V308 WeakPolarHBondContact O-CG2 3.35Å; K304-V308 PolarHBondContact O-N 2.96Å; Q305-V308 PolarHBondContact O-N 3.3Å; V308-L311 PolarHBondContact O-N 3.15Å; V308-S312 PolarHBondContact O-N 2.99Å; V308-S312 PolarHBondContact O-OG 2.94Å
309N91.2Very high91.1Very high86 Ų8664.1 Ų64.146%0.4631%0.308SS..Hα-helixtrans-65.4-43.7174.9-70.9-23000111.9Q305 R306 Y307 S312 R313Q305-N309 WeakPolarHBondContact O-CB 3.24Å; Q305-N309 VanDerWaalsContact O-CG 3.3Å; Q305-N309 PolarHBondContact O-N 3.46Å; Q305-N309 PolarHBondContact O-ND2 3Å; R306-N309 PolarHBondContact O-N 3.37Å; Y307-N309 VanDerWaalsContact C-N 3.34Å; Y307-N309 PolarHBondContact O-N 3.33Å; N309-S312 PolarHBondContact O-N 3.08Å; N309-R313 WeakPolarHBondContact O-CG 3.43Å; N309-R313 PolarHBondContact O-N 2.97Å; N309-R313 VanDerWaalsContact O-N 3.07Å
310S89.4Confident90.9Very high34 Ų3460.1 Ų60.124%0.23829%0.29CS..Hα-helixtrans-61.2-43.1175.1-1760000112R306 Y307 S312 R313 R314R306-S310 WeakPolarHBondContact O-CB 3.43Å; R306-S310 PolarHBondContact O-N 2.87Å; Y307-S310 PolarHBondContact O-N 2.96Å; S310-S312 PolarHBondContact O-N 3.1Å; S310-R313 PolarHBondContact O-N 3.23Å; S310-R314 WeakPolarHBondContact O-CG 2.86Å; S310-R314 PolarHBondContact O-N 3.01Å
311L91.8Very high90.9Very high1 Ų158.1 Ų58.11%0.00528%0.281CS..Hα-helixtrans-59.8-46175.6-177.166.3000111.2I188 V191 I195 Y307 V308 R313 R314 I315 L352 A355I188-L311 HydrophobicContact CB-CD1 4.4Å; I188-L311 HydrophobicContact CG2-CD1 3.8Å; V191-L311 HydrophobicContact CB-CD1 4.33Å; V191-L311 HydrophobicContact CG1-CB 3.9Å; V191-L311 HydrophobicContact CG1-CD1 4.14Å; I195-L311 HydrophobicContact CD1-CB 4.3Å; I195-L311 HydrophobicContact CD1-CD2 3.79Å; Y307-L311 WeakPolarHBondContact O-CB 3.31Å; Y307-L311 PolarHBondContact O-N 3.11Å; V308-L311 PolarHBondContact O-N 3.15Å; L311-R313 PolarHBondContact O-N 3.04Å; L311-R314 PolarHBondContact O-N 3.48Å; L311-I315 HydrophobicContact CD1-CD1 3.92Å; L311-I315 HydrophobicContact CD1-CG1 4.35Å; L311-I315 HydrophobicContact CD2-CD1 4.4Å; L311-I315 HydrophobicContact CG-CD1 3.77Å; L311-I315 HydrophobicContact CG-CG1 4.49Å; L311-I315 WeakPolarHBondContact O-CG1 3.43Å; L311-I315 PolarHBondContact O-N 3.37Å; L311-L352 HydrophobicContact CD2-CD2 3.79Å; L311-A355 HydrophobicContact CD1-CB 4.18Å; L311-A355 HydrophobicContact CD2-CB 4.08Å
312S91.4Very high90.9Very high29 Ų2956.5 Ų56.520%0.20327%0.272CS..Hα-helixtrans-62.4-42.3179.9-59.40000112.2V308 N309 S310 I315 T316 C351V308-S312 PolarHBondContact O-N 2.99Å; V308-S312 PolarHBondContact O-OG 2.94Å; N309-S312 PolarHBondContact O-N 3.08Å; S310-S312 PolarHBondContact O-N 3.1Å; S312-I315 PolarHBondContact O-N 3.38Å; S312-T316 WeakPolarHBondContact O-CB 3.35Å; S312-T316 PolarHBondContact O-N 2.86Å; S312-T316 PolarHBondContact O-OG1 3.04Å; S312-C351 PolarHBondContact OG-SG 3.17Å
313R89.8Confident90.8Very high192 Ų19253.2 Ų53.273%0.72526%0.257SS*.Hα-helixtrans-61.5-44.8173.8-68177.7-165.4162.63.3111.9N309 S310 L311 T316 S317N309-R313 WeakPolarHBondContact O-CG 3.43Å; N309-R313 PolarHBondContact O-N 2.97Å; N309-R313 VanDerWaalsContact O-N 3.07Å; S310-R313 PolarHBondContact O-N 3.23Å; L311-R313 PolarHBondContact O-N 3.04Å; R313-T316 PolarHBondContact O-N 3.43Å; R313-S317 WeakPolarHBondContact O-CB 3.49Å; R313-S317 PolarHBondContact O-N 3.31Å
314R90.2Very high90.7Very high120 Ų12052.4 Ų52.445%0.45325%0.25SC..Hα-helixtrans-64.4-41.1179.1-72173.9-173.6-90.40.6112.3I188 S310 L311 S317 L318I188-R314 HydrophobicContact CG1-CB 4.04Å; S310-R314 WeakPolarHBondContact O-CG 2.86Å; S310-R314 PolarHBondContact O-N 3.01Å; L311-R314 PolarHBondContact O-N 3.48Å; R314-S317 PolarHBondContact O-N 3.02Å; R314-L318 WeakPolarHBondContact O-CB 3.48Å; R314-L318 PolarHBondContact O-N 2.83Å
315I90.8Very high90.6Very high0 Ų050.2 Ų50.20%024%0.24CC..Hα-helixtrans-69.3-42.2178.5-70.8171.6000111.2I188 L311 S312 S317 L318 C319 H323 C351 T354 A355I188-I315 HydrophobicContact CD1-CG1 4Å; I188-I315 HydrophobicContact CG1-CG1 4.37Å; I188-I315 HydrophobicContact CG2-CD1 4.47Å; I188-I315 HydrophobicContact CG2-CG1 4.27Å; L311-I315 HydrophobicContact CD1-CD1 3.92Å; L311-I315 HydrophobicContact CD1-CG1 4.35Å; L311-I315 HydrophobicContact CD2-CD1 4.4Å; L311-I315 HydrophobicContact CG-CD1 3.77Å; L311-I315 HydrophobicContact CG-CG1 4.49Å; L311-I315 WeakPolarHBondContact O-CG1 3.43Å; L311-I315 PolarHBondContact O-N 3.37Å; S312-I315 PolarHBondContact O-N 3.38Å; I315-S317 PolarHBondContact O-N 3.45Å; I315-L318 PolarHBondContact O-N 3.25Å; I315-C319 CarbonylContact O-C 3.36Å; I315-C319 PolarHBondContact O-N 3.09Å; I315-H323 HydrophobicContact CG2-CB 4.05Å; I315-C351 HydrophobicContact CD1-CB 3.96Å; I315-C351 WeakPolarHBondContact CD1-O 3.39Å; I315-T354 HydrophobicContact CG2-CG2 3.79Å; I315-A355 HydrophobicContact CD1-CB 3.95Å
316T89.6Confident90.4Very high69 Ų6946.7 Ų46.742%0.42322%0.224SC..Hα-helixtrans-61.9-36.8176.6-53.20000111.1S312 R313S312-T316 WeakPolarHBondContact O-CB 3.35Å; S312-T316 PolarHBondContact O-N 2.86Å; S312-T316 PolarHBondContact O-OG1 3.04Å; R313-T316 PolarHBondContact O-N 3.43Å
317S87.8Confident90.1Very high84 Ų8443.1 Ų43.159%0.58721%0.214SC*.Hα-helixtrans-71.5-38.9175.6177.30000113.6R313 R314 I315R313-S317 WeakPolarHBondContact O-CB 3.49Å; R313-S317 PolarHBondContact O-N 3.31Å; R314-S317 PolarHBondContact O-N 3.02Å; I315-S317 PolarHBondContact O-N 3.45Å
318L88.3Confident89.6Confident29 Ų2940.3 Ų40.315%0.15221%0.208CC..Hα-helixtrans-86.9-42.8-175.5-17467.3000113.3H181 A184 D185 I188 R314 I315H181-L318 HydrophobicContact CB-CD1 4.36Å; A184-L318 HydrophobicContact CB-CD1 3.92Å; A184-L318 HydrophobicContact CB-CD2 4.38Å; D185-L318 HydrophobicContact CB-CD2 4.18Å; I188-L318 HydrophobicContact CD1-CB 4.18Å; I188-L318 HydrophobicContact CD1-CD2 3.44Å; I188-L318 VanDerWaalsContact CD1-CD2 3.44Å; I188-L318 HydrophobicContact CD1-CG 4.45Å; R314-L318 WeakPolarHBondContact O-CB 3.48Å; R314-L318 PolarHBondContact O-N 2.83Å; I315-L318 PolarHBondContact O-N 3.25Å
319C89.8Confident88.9Confident0 Ų039.9 Ų39.90%021%0.205CC..  trans-133.765.2-170.9-48.80000111.6I315 N321 L322 H323 F364 D462I315-C319 CarbonylContact O-C 3.36Å; I315-C319 PolarHBondContact O-N 3.09Å; C319-N321 VanDerWaalsContact C-N 3.34Å; C319-N321 PolarHBondContact O-N 3.1Å; C319-L322 HydrophobicContact CB-CB 4.11Å; C319-H323 VanDerWaalsContact O-CB 3.22Å; C319-H323 WeakPolarHBondContact O-CB 3.22Å; C319-H323 PolarHBondContact O-N 2.85Å; C319-F364 HydrophobicContact CB-CE2 4.37Å; C319-F364 HydrophobicContact CB-CZ 4.26Å; C319-F364 WeakPolarHBondContact SG-CE2 3.44Å; C319-F364 WeakPolarHBondContact SG-CZ 3.35Å; C319-D462 WeakPolarHBondContact CA-OD2 3.41Å
320P90.8Very high88Confident13 Ų1337.1 Ų37.18%0.08419%0.19CC..Hα-helixtrans-63-38-178.125.8-34.8000112.4A324 D462P320-A324 WeakPolarHBondContact O-CB 3.43Å; P320-A324 PolarHBondContact O-N 3.06Å; P320-D462 WeakPolarHBondContact CD-OD1 3.31Å
321N92.5Very high86.8Confident0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-74.9-42.7-177.1-62.3-62.9000112C319 A324 L325 A458 D462 L490 G493 Y495 G496C319-N321 VanDerWaalsContact C-N 3.34Å; C319-N321 PolarHBondContact O-N 3.1Å; N321-A324 PolarHBondContact O-N 2.78Å; N321-L325 WeakPolarHBondContact O-CB 3.33Å; N321-L325 PolarHBondContact O-N 2.84Å; N321-A458 HydrophobicContact CB-CB 4.3Å; N321-D462 WeakPolarHBondContact CB-OD1 3.44Å; N321-D462 PolarHBondContact N-OD1 3.36Å; N321-D462 VanDerWaalsContact N-OD1 3.09Å; N321-D462 PolarHBondContact N-OD2 3.13Å; N321-D462 PolarHBondContact ND2-OD1 2.93Å; N321-L490 PolarHBondContact ND2-O 2.65Å; N321-G493 VanDerWaalsContact OD1-CA 3.27Å; N321-G493 WeakPolarHBondContact OD1-CA 3.12Å; N321-Y495 HydrophobicContact CB-CD1 4.49Å; N321-Y495 WeakPolarHBondContact OD1-CB 3.39Å; N321-G496 WeakPolarHBondContact O-CA 3.44Å; N321-G496 PolarHBondContact OD1-N 3.31Å; N321-G496 VanDerWaalsContact OD1-N 3.13Å
322L92.1Very high85Confident0 Ų041.6 Ų41.60%022%0.215CC..Hα-helixtrans-63.5-43.7175.8179.462000111.3C319 L326 T354 F364 L367 A458 D462C319-L322 HydrophobicContact CB-CB 4.11Å; L322-L326 HydrophobicContact CD1-CD1 4.15Å; L322-L326 HydrophobicContact CD1-CG 4.43Å; L322-L326 HydrophobicContact CG-CD1 4.25Å; L322-L326 WeakPolarHBondContact O-CG 3.49Å; L322-L326 PolarHBondContact O-N 3.38Å; L322-L326 VanDerWaalsContact O-N 3.11Å; L322-T354 HydrophobicContact CD2-CG2 3.67Å; L322-T354 HydrophobicContact CG-CG2 4.16Å; L322-F364 HydrophobicContact CD2-CE2 4.47Å; L322-L367 HydrophobicContact CD2-CD2 4.48Å; L322-A458 HydrophobicContact CB-CB 4.36Å; L322-A458 HydrophobicContact CD1-CB 4.5Å; L322-D462 PolarHBondContact N-OD2 3.04Å
323H90.7Very high82.7Confident33 Ų3344.3 Ų44.315%0.15323%0.234CC..Hα-helixtrans-61.4-49.5176.1176.851.8000111.2I315 C319 L325 L326 H327 S350 C351I315-H323 HydrophobicContact CG2-CB 4.05Å; C319-H323 VanDerWaalsContact O-CB 3.22Å; C319-H323 WeakPolarHBondContact O-CB 3.22Å; C319-H323 PolarHBondContact O-N 2.85Å; H323-L325 PolarHBondContact O-N 3.03Å; H323-L326 PolarHBondContact O-N 3.49Å; H323-H327 VanDerWaalsContact O-CB 3.27Å; H323-H327 WeakPolarHBondContact O-CB 3.23Å; H323-H327 PolarHBondContact O-N 3.26Å; H323-S350 PolarHBondContact CE1-OG 3.35Å; H323-S350 PolarHBondContact ND1-OG 3.12Å; H323-C351 PolarHBondContact CE1-SG 2.94Å
324A89.5Confident80.2Confident11 Ų1141.3 Ų41.39%0.09123%0.232CC..Hα-helixtrans-61.4-41.2179.500000112.8P320 N321 H327 C328 G493 Q497P320-A324 WeakPolarHBondContact O-CB 3.43Å; P320-A324 PolarHBondContact O-N 3.06Å; N321-A324 PolarHBondContact O-N 2.78Å; A324-H327 PolarHBondContact O-N 2.89Å; A324-C328 WeakPolarHBondContact O-CB 3.4Å; A324-C328 PolarHBondContact O-N 3.27Å; A324-C328 PolarHBondContact O-SG 2.72Å; A324-G493 WeakPolarHBondContact CB-O 3.45Å; A324-Q497 HydrophobicContact CB-CG 3.94Å
325L90.1Very high77.9Confident0 Ų042.2 Ų42.20%024%0.242CC..Hα-helixtrans-59.3-48.8175.3-179.5163000111.3N321 H323 T329 L451 K454 A458 G496 L499N321-L325 WeakPolarHBondContact O-CB 3.33Å; N321-L325 PolarHBondContact O-N 2.84Å; H323-L325 PolarHBondContact O-N 3.03Å; L325-T329 WeakPolarHBondContact O-CB 3.25Å; L325-T329 WeakPolarHBondContact O-CG2 3.35Å; L325-T329 PolarHBondContact O-N 2.98Å; L325-T329 VanDerWaalsContact O-N 3.14Å; L325-T329 PolarHBondContact O-OG1 2.95Å; L325-L451 HydrophobicContact CD2-CG 4.14Å; L325-K454 HydrophobicContact CD1-CB 3.86Å; L325-A458 HydrophobicContact CD1-CB 3.94Å; L325-G496 WeakPolarHBondContact CA-O 3.36Å; L325-L499 HydrophobicContact CD1-CB 3.79Å; L325-L499 HydrophobicContact CD1-CD1 4.09Å; L325-L499 HydrophobicContact CG-CB 4.42Å
326L87.5Confident75.4Confident0 Ų046.9 Ų46.90%028%0.28CS..Hα-helixtrans-68.1-37.8179.5-70174.4000111.4L322 H323 T329 L330 V353 T354 L399 L451L322-L326 HydrophobicContact CD1-CD1 4.15Å; L322-L326 HydrophobicContact CD1-CG 4.43Å; L322-L326 HydrophobicContact CG-CD1 4.25Å; L322-L326 WeakPolarHBondContact O-CG 3.49Å; L322-L326 PolarHBondContact O-N 3.38Å; L322-L326 VanDerWaalsContact O-N 3.11Å; H323-L326 PolarHBondContact O-N 3.49Å; L326-T329 PolarHBondContact O-N 2.71Å; L326-T329 PolarHBondContact O-OG1 3.04Å; L326-L330 HydrophobicContact CB-CD1 4.26Å; L326-L330 HydrophobicContact CD2-CD1 4.34Å; L326-L330 WeakPolarHBondContact O-CB 3.32Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.37Å; L326-L330 PolarHBondContact O-N 3.38Å; L326-V353 HydrophobicContact CD1-CG1 4.34Å; L326-T354 VanDerWaalsContact CD1-OG1 3.22Å; L326-T354 WeakPolarHBondContact CD1-OG1 3.36Å; L326-L399 HydrophobicContact CD2-CD2 4.1Å; L326-L451 HydrophobicContact CD2-CD1 4.24Å; L326-L451 HydrophobicContact CD2-CD2 3.78Å; L326-L451 HydrophobicContact CD2-CG 4.4Å
327H85Confident73Confident87 Ų8752.6 Ų52.640%0.40330%0.302SS..Hα-helixtrans-61.7-52176.1-171.2-87.9000111H323 A324 T329 H331H323-H327 VanDerWaalsContact O-CB 3.27Å; H323-H327 WeakPolarHBondContact O-CB 3.23Å; H323-H327 PolarHBondContact O-N 3.26Å; A324-H327 PolarHBondContact O-N 2.89Å; H327-T329 VanDerWaalsContact C-N 3.26Å; H327-T329 PolarHBondContact O-N 2.93Å; H327-H331 AromaticContact CD2-CD2 3.73Å; H327-H331 WeakPolarHBondContact O-CB 3.33Å; H327-H331 PolarHBondContact O-N 3.04Å
328C81.5Confident70.3Confident34 Ų3455.2 Ų55.223%0.2331%0.305CS..Hα-helixtrans-63-27.5178.7-69.30000114.3A324 Q504A324-C328 WeakPolarHBondContact O-CB 3.4Å; A324-C328 PolarHBondContact O-N 3.27Å; A324-C328 PolarHBondContact O-SG 2.72Å; C328-Q504 PolarHBondContact O-NE2 2.94Å; C328-Q504 VanDerWaalsContact O-NE2 3.09Å
329T76.6Confident67.5Low15 Ų1558.3 Ų58.39%0.09234%0.344CS..Hα-helixtrans-94.4-28.6-176.851.80000113.7L325 L326 H327 V503L325-T329 WeakPolarHBondContact O-CB 3.25Å; L325-T329 WeakPolarHBondContact O-CG2 3.35Å; L325-T329 PolarHBondContact O-N 2.98Å; L325-T329 VanDerWaalsContact O-N 3.14Å; L325-T329 PolarHBondContact O-OG1 2.95Å; L326-T329 PolarHBondContact O-N 2.71Å; L326-T329 PolarHBondContact O-OG1 3.04Å; H327-T329 VanDerWaalsContact C-N 3.26Å; H327-T329 PolarHBondContact O-N 2.93Å; T329-V503 HydrophobicContact CG2-CB 4.25Å; T329-V503 HydrophobicContact CG2-CG1 4.3Å
330L72.4Confident64.7Low28 Ų2866.2 Ų66.215%0.14738%0.378CS..Hα-helixtrans-97.4-34.5-176.8-61.2175.1000113.1L326 V353 A402 L406L326-L330 HydrophobicContact CB-CD1 4.26Å; L326-L330 HydrophobicContact CD2-CD1 4.34Å; L326-L330 WeakPolarHBondContact O-CB 3.32Å; L326-L330 VanDerWaalsContact O-CG 3.22Å; L326-L330 WeakPolarHBondContact O-CG 3.37Å; L326-L330 PolarHBondContact O-N 3.38Å; L330-V353 HydrophobicContact CD1-CG2 4.37Å; L330-A402 HydrophobicContact CD1-CB 4.01Å; L330-A402 HydrophobicContact CD2-CB 3.84Å; L330-L406 HydrophobicContact CD2-CD1 3.88Å
331H65.1Low62Low56 Ų5671.8 Ų71.826%0.25941%0.412SS..SBendtrans-91.4108.2173.6-65-96.7000108H327 S333H327-H331 AromaticContact CD2-CD2 3.73Å; H327-H331 WeakPolarHBondContact O-CB 3.33Å; H327-H331 PolarHBondContact O-N 3.04Å; H331-S333 PolarHBondContact O-N 3.24Å
332S52.5Low59.4Low74 Ų7475.5 Ų75.552%0.51744%0.436SS..  trans-58.5136164.243.30000108.1D334S332-D334 PolarHBondContact O-N 3.36Å
333S43.3Very low56.7Low86 Ų8683.7 Ų83.760%0.60147%0.471SS*.G310 helixtrans-58.66.3-167.7-46.20000116.7H331H331-S333 PolarHBondContact O-N 3.24Å
334D38.8Very low54.2Low128 Ų12886.2 Ų86.268%0.68450%0.498SS*.G310 helixtrans-99.4-0.5-156.8-58.6-25.4000114.7S332S332-D334 PolarHBondContact O-N 3.36Å
335E41.9Very low51.9Low140 Ų14091.1 Ų91.165%0.65452%0.523SS*.G310 helixtrans-93.33.1177.4-66.2-148.3155.200114.8E337E335-E337 VanDerWaalsContact C-N 3.32Å; E335-E337 PolarHBondContact O-N 2.82Å
336A38.5Very low49.7Very low97 Ų9797.2 Ų97.280%0.80256%0.555SS**SBendtrans-77.3-9.7-177.700000115
337E38.1Very low47.7Very low189 Ų189100.7 Ų100.788%0.88357%0.574SS**SBendtrans-117.31.9-176.2-71-167.8163.600115.6E335E335-E337 VanDerWaalsContact C-N 3.32Å; E335-E337 PolarHBondContact O-N 2.82Å
338Q31.9Very low46.4Very low139 Ų13998.8 Ų98.865%0.6557%0.567SS**  trans-122.9110.3173.8-65.4-171.613.900109.9K340Q338-K340 PolarHBondContact O-N 3.48Å
339G29.8Very low45.9Very low94 Ų9498.4 Ų98.497%0.96956%0.564SS**  trans-64.141175.600000115
340K30Very low46.2Very low166 Ų16697.8 Ų97.872%0.72256%0.56SS**PPolyproline II helixtrans-86.9124171.3-89.3175.5176.4166.20109.1Q338Q338-K340 PolarHBondContact O-N 3.48Å
341V33.9Very low46.9Very low130 Ų13096.7 Ų96.779%0.78856%0.555SS**PPolyproline II helixtrans-49122169.7179.60000108.5K343V341-K343 PolarHBondContact O-N 3.29Å
342P37.1Very low48Very low78 Ų7895.5 Ų95.551%0.50655%0.55SS.*PPolyproline II helixtrans-63.2123.7-177.424.4-31.8000108.6A344P342-A344 PolarHBondContact O-N 2.97Å
343K37.3Very low49.7Very low172 Ų17292.1 Ų92.175%0.74853%0.527SS*.PPolyproline II helixtrans-60.4129.3177.1-68.2-175.5177.2-173.50109V341 N345V341-K343 PolarHBondContact O-N 3.29Å; K343-N345 PolarHBondContact O-N 3.46Å
344A37.9Very low52Low86 Ų8688 Ų8871%0.71150%0.498SS*.THydrogen-bonded Turntrans-60.8-8.1-163.900000116.3P342P342-A344 PolarHBondContact O-N 2.97Å
345N41.4Very low54.5Low115 Ų11582 Ų8262%0.61547%0.466SS*.THydrogen-bonded Turntrans-114.6-8.3-168.4-71-23000115.5D232 K343D232-N345 PolarHBondContact OD2-ND2 3.47Å; D232-N345 VanDerWaalsContact OD2-ND2 3.1Å; K343-N345 PolarHBondContact O-N 3.46Å
346D42.2Very low56.9Low127 Ų12779.5 Ų79.568%0.67945%0.45SS*.SBendtrans-104-2.1-172.3-75.6-25.6000115.9
347N47.3Very low59.4Low73 Ų7374.9 Ų74.939%0.3941%0.412SS..  trans-107.189.1-177.8-68.4-31.1000111S349N347-S349 PolarHBondContact O-N 3.18Å
348L56.8Low62Low48 Ų4865.9 Ų65.925%0.25137%0.37SS..  trans-63.485.1155.3-179.271000106.8S350 L352 V353 A402 I405L348-S350 PolarHBondContact O-N 3.13Å; L348-L352 HydrophobicContact CD1-CB 4.33Å; L348-L352 HydrophobicContact CD1-CD1 4.49Å; L348-V353 HydrophobicContact CD1-CG2 4.47Å; L348-V353 HydrophobicContact CD2-CG2 3.65Å; L348-V353 HydrophobicContact CG-CG2 3.84Å; L348-A402 HydrophobicContact CD2-CB 4.43Å; L348-I405 HydrophobicContact CB-CD1 3.95Å; L348-I405 HydrophobicContact CD2-CD1 3.49Å; L348-I405 VanDerWaalsContact CD2-CD1 3.49Å; L348-I405 HydrophobicContact CG-CD1 4.34Å
349S71.2Confident64.9Low26 Ų2660.8 Ų60.818%0.18235%0.352CS..  trans-52.3131.8-175.7175.50000109N347 C351 L352 V353N347-S349 PolarHBondContact O-N 3.18Å; S349-C351 PolarHBondContact O-N 2.76Å; S349-C351 VanDerWaalsContact OG-CB 3.31Å; S349-C351 WeakPolarHBondContact OG-CB 3.37Å; S349-C351 PolarHBondContact OG-N 3.49Å; S349-L352 WeakPolarHBondContact O-CB 3.26Å; S349-L352 PolarHBondContact O-N 3.45Å; S349-V353 PolarHBondContact O-N 3.17Å
350S82.3Confident67.9Low1 Ų160.4 Ų60.41%0.00733%0.327CS..Hα-helixtrans-47-30.1170.853.90000112.1H323 L348 T354H323-S350 PolarHBondContact CE1-OG 3.35Å; H323-S350 PolarHBondContact ND1-OG 3.12Å; L348-S350 PolarHBondContact O-N 3.13Å; S350-T354 WeakPolarHBondContact O-CB 3.45Å; S350-T354 PolarHBondContact O-N 2.93Å; S350-T354 PolarHBondContact O-OG1 3.14Å
351C87.5Confident70.8Confident5 Ų552.6 Ų52.63%0.03429%0.294CS..Hα-helixtrans-59.6-48.3170.8-62.10000113S312 I315 H323 S349 V353 T354 A355S312-C351 PolarHBondContact OG-SG 3.17Å; I315-C351 HydrophobicContact CD1-CB 3.96Å; I315-C351 WeakPolarHBondContact CD1-O 3.39Å; H323-C351 PolarHBondContact CE1-SG 2.94Å; S349-C351 PolarHBondContact O-N 2.76Å; S349-C351 VanDerWaalsContact OG-CB 3.31Å; S349-C351 WeakPolarHBondContact OG-CB 3.37Å; S349-C351 PolarHBondContact OG-N 3.49Å; C351-V353 VanDerWaalsContact C-N 3.34Å; C351-V353 PolarHBondContact O-N 2.94Å; C351-T354 WeakPolarHBondContact O-CB 3.49Å; C351-T354 PolarHBondContact O-N 3.48Å; C351-A355 WeakPolarHBondContact O-CB 3.39Å; C351-A355 PolarHBondContact O-N 2.93Å
352L87.9Confident73.5Confident31 Ų3148.9 Ų48.916%0.16228%0.282CS..Hα-helixtrans-65.7-38.1-179.2-69173.8000111.8L192 L311 L348 S349 T354 A355 R356L192-L352 HydrophobicContact CD1-CD2 4.31Å; L311-L352 HydrophobicContact CD2-CD2 3.79Å; L348-L352 HydrophobicContact CD1-CB 4.33Å; L348-L352 HydrophobicContact CD1-CD1 4.49Å; S349-L352 WeakPolarHBondContact O-CB 3.26Å; S349-L352 PolarHBondContact O-N 3.45Å; L352-T354 VanDerWaalsContact C-N 3.34Å; L352-A355 PolarHBondContact O-N 3.41Å; L352-R356 WeakPolarHBondContact O-CB 3.3Å; L352-R356 VanDerWaalsContact O-CG 3.27Å; L352-R356 WeakPolarHBondContact O-CG 3.27Å; L352-R356 PolarHBondContact O-N 3.15Å
353V88.4Confident76Confident4 Ų446.9 Ų46.92%0.02427%0.27CS..Hα-helixtrans-62.3-45.7173.9-178.80000110.1L326 L330 L348 S349 C351 R356 L357 L399 A402L326-V353 HydrophobicContact CD1-CG1 4.34Å; L330-V353 HydrophobicContact CD1-CG2 4.37Å; L348-V353 HydrophobicContact CD1-CG2 4.47Å; L348-V353 HydrophobicContact CD2-CG2 3.65Å; L348-V353 HydrophobicContact CG-CG2 3.84Å; S349-V353 PolarHBondContact O-N 3.17Å; C351-V353 VanDerWaalsContact C-N 3.34Å; C351-V353 PolarHBondContact O-N 2.94Å; V353-R356 PolarHBondContact O-N 3.28Å; V353-L357 HydrophobicContact CG1-CD1 4.46Å; V353-L357 WeakPolarHBondContact O-CG 3.42Å; V353-L357 PolarHBondContact O-N 3.23Å; V353-L399 HydrophobicContact CG1-CD2 4.17Å; V353-A402 HydrophobicContact CG1-CB 4.24Å; V353-A402 HydrophobicContact CG2-CB 3.99Å
354T90.9Very high78.5Confident0 Ų039.2 Ų39.20%024%0.237CC..Hα-helixtrans-59.6-49.5176.9-560000111.6I315 L322 L326 S350 C351 L352 R356 L357 I358I315-T354 HydrophobicContact CG2-CG2 3.79Å; L322-T354 HydrophobicContact CD2-CG2 3.67Å; L322-T354 HydrophobicContact CG-CG2 4.16Å; L326-T354 VanDerWaalsContact CD1-OG1 3.22Å; L326-T354 WeakPolarHBondContact CD1-OG1 3.36Å; S350-T354 WeakPolarHBondContact O-CB 3.45Å; S350-T354 PolarHBondContact O-N 2.93Å; S350-T354 PolarHBondContact O-OG1 3.14Å; C351-T354 WeakPolarHBondContact O-CB 3.49Å; C351-T354 PolarHBondContact O-N 3.48Å; L352-T354 VanDerWaalsContact C-N 3.34Å; T354-R356 VanDerWaalsContact C-N 3.32Å; T354-R356 PolarHBondContact O-N 3.27Å; T354-L357 WeakPolarHBondContact O-CB 3.46Å; T354-L357 PolarHBondContact O-N 2.78Å; T354-L357 VanDerWaalsContact O-N 3.15Å; T354-I358 HydrophobicContact CG2-CD1 4.21Å; T354-I358 WeakPolarHBondContact O-CG1 3.27Å; T354-I358 PolarHBondContact O-N 3.34Å; T354-I358 VanDerWaalsContact O-N 3.08Å
355A91.9Very high81Confident0 Ų039.6 Ų39.60%023%0.227CC..Hα-helixtrans-57.6-44.6177.800000111.8I188 L192 L311 I315 C351 L352 L357 I358 A359I188-A355 HydrophobicContact CG2-CB 4Å; L192-A355 HydrophobicContact CB-CB 4.39Å; L192-A355 HydrophobicContact CD1-CB 4.13Å; L192-A355 HydrophobicContact CD2-CB 4.02Å; L192-A355 HydrophobicContact CG-CB 4.42Å; L311-A355 HydrophobicContact CD1-CB 4.18Å; L311-A355 HydrophobicContact CD2-CB 4.08Å; I315-A355 HydrophobicContact CD1-CB 3.95Å; C351-A355 WeakPolarHBondContact O-CB 3.39Å; C351-A355 PolarHBondContact O-N 2.93Å; L352-A355 PolarHBondContact O-N 3.41Å; A355-L357 VanDerWaalsContact C-N 3.34Å; A355-L357 PolarHBondContact O-N 3.37Å; A355-I358 PolarHBondContact O-N 3.1Å; A355-A359 WeakPolarHBondContact O-CB 3.45Å; A355-A359 PolarHBondContact O-N 3.19Å
356R91.7Very high83.4Confident88 Ų8841.6 Ų41.633%0.33223%0.226SC..Hα-helixtrans-66.6-32.5178.5-74.5176.3175.4163.91.6112.8L192 D196 L352 V353 T354 N360 L398L192-R356 HydrophobicContact CD1-CG 4.32Å; L192-R356 HydrophobicContact CD2-CG 3.92Å; D196-R356 IonicContact OD1-NH2 2.62Å; L352-R356 WeakPolarHBondContact O-CB 3.3Å; L352-R356 VanDerWaalsContact O-CG 3.27Å; L352-R356 WeakPolarHBondContact O-CG 3.27Å; L352-R356 PolarHBondContact O-N 3.15Å; V353-R356 PolarHBondContact O-N 3.28Å; T354-R356 VanDerWaalsContact C-N 3.32Å; T354-R356 PolarHBondContact O-N 3.27Å; R356-N360 WeakPolarHBondContact O-CB 3.46Å; R356-N360 PolarHBondContact O-N 3.36Å; R356-N360 PolarHBondContact O-ND2 3.12Å; R356-L398 HydrophobicContact CB-CD1 3.83Å; R356-L398 HydrophobicContact CB-CD2 4.39Å
357L92.1Very high85.8Confident0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-65-45.8172.4-71.4171.2000111.1V353 T354 A355 A361 L367 L375 L378 L398 L399V353-L357 HydrophobicContact CG1-CD1 4.46Å; V353-L357 WeakPolarHBondContact O-CG 3.42Å; V353-L357 PolarHBondContact O-N 3.23Å; T354-L357 WeakPolarHBondContact O-CB 3.46Å; T354-L357 PolarHBondContact O-N 2.78Å; T354-L357 VanDerWaalsContact O-N 3.15Å; A355-L357 VanDerWaalsContact C-N 3.34Å; A355-L357 PolarHBondContact O-N 3.37Å; L357-A361 WeakPolarHBondContact O-CB 3.31Å; L357-A361 PolarHBondContact O-N 2.99Å; L357-L367 HydrophobicContact CB-CD1 4.45Å; L357-L367 HydrophobicContact CB-CD2 4.14Å; L357-L375 HydrophobicContact CD2-CD2 4.2Å; L357-L378 HydrophobicContact CD2-CB 4.41Å; L357-L378 HydrophobicContact CD2-CD1 4.06Å; L357-L398 HydrophobicContact CD2-CB 4.29Å; L357-L398 HydrophobicContact CD2-CD1 4.03Å; L357-L398 HydrophobicContact CG-CD1 4.45Å; L357-L399 HydrophobicContact CD1-CD2 3.93Å; L357-L399 HydrophobicContact CD2-CD2 4.49Å; L357-L399 HydrophobicContact CD2-CG 4.45Å
358I92.5Very high87.9Confident0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-63-48177.7-62.7172.5000110.3D185 I188 V189 T354 A355 N360 A361 G362 F364 L367D185-I358 HydrophobicContact CB-CG2 4.21Å; I188-I358 HydrophobicContact CD1-CD1 4.29Å; I188-I358 HydrophobicContact CG2-CD1 4.41Å; V189-I358 HydrophobicContact CG2-CG2 4.12Å; T354-I358 HydrophobicContact CG2-CD1 4.21Å; T354-I358 WeakPolarHBondContact O-CG1 3.27Å; T354-I358 PolarHBondContact O-N 3.34Å; T354-I358 VanDerWaalsContact O-N 3.08Å; A355-I358 PolarHBondContact O-N 3.1Å; I358-N360 PolarHBondContact O-N 2.98Å; I358-A361 PolarHBondContact O-N 2.93Å; I358-G362 PolarHBondContact O-N 3.43Å; I358-F364 HydrophobicContact CD1-CD2 4.14Å; I358-F364 HydrophobicContact CG1-CD2 4.07Å; I358-L367 HydrophobicContact CG1-CD2 4.06Å
359A93.3Very high89.6Confident32 Ų3233.7 Ų33.726%0.26419%0.191SC..Hα-helixtrans-60.3-43.2179.700000112.7V189 L192 A355 A361 G362V189-A359 HydrophobicContact CG1-CB 4.21Å; V189-A359 HydrophobicContact CG2-CB 4.12Å; L192-A359 HydrophobicContact CD2-CB 3.75Å; A355-A359 WeakPolarHBondContact O-CB 3.45Å; A355-A359 PolarHBondContact O-N 3.19Å; A359-A361 VanDerWaalsContact C-N 3.35Å; A359-A361 PolarHBondContact O-N 3.32Å; A359-G362 PolarHBondContact O-N 3.46Å
360N92.3Very high90.6Very high86 Ų8633.5 Ų33.546%0.4619%0.187SC..Hα-helixtrans-71.9-26.7177.7-80.4-26.4000113.7R356 I358 L398R356-N360 WeakPolarHBondContact O-CB 3.46Å; R356-N360 PolarHBondContact O-N 3.36Å; R356-N360 PolarHBondContact O-ND2 3.12Å; I358-N360 PolarHBondContact O-N 2.98Å; N360-L398 WeakPolarHBondContact ND2-CD1 3.34Å
361A92Very high91.2Very high2 Ų236.7 Ų36.72%0.01721%0.208CC..Hα-helixtrans-76.6-29.9172.300000111.9L357 I358 A359 S363 R366 L367 M370L357-A361 WeakPolarHBondContact O-CB 3.31Å; L357-A361 PolarHBondContact O-N 2.99Å; I358-A361 PolarHBondContact O-N 2.93Å; A359-A361 VanDerWaalsContact C-N 3.35Å; A359-A361 PolarHBondContact O-N 3.32Å; A361-S363 VanDerWaalsContact C-N 3.33Å; A361-R366 WeakPolarHBondContact O-CD 3.4Å; A361-L367 HydrophobicContact CB-CB 3.73Å; A361-L367 HydrophobicContact CB-CD1 3.98Å; A361-L367 HydrophobicContact CB-CG 4.4Å; A361-M370 HydrophobicContact CB-CE 3.9Å
362G89.2Confident91.4Very high53 Ų5337.9 Ų37.955%0.54622%0.216SC..SBendtrans92.9-27.6-178.900000113.9I358 A359I358-G362 PolarHBondContact O-N 3.43Å; A359-G362 PolarHBondContact O-N 3.46Å
363S89.8Confident91.4Very high36 Ų3641.3 Ų41.325%0.25224%0.238SC..SBendtrans-154.2154.3171.6170.20000109.5D185 A361 N365 R366 L367D185-S363 WeakPolarHBondContact OD2-CA 3.4Å; D185-S363 WeakPolarHBondContact OD2-CB 3.37Å; D185-S363 PolarHBondContact OD2-OG 3.26Å; A361-S363 VanDerWaalsContact C-N 3.33Å; S363-N365 PolarHBondContact OG-N 3.3Å; S363-R366 PolarHBondContact O-N 3.45Å; S363-L367 PolarHBondContact O-N 3.26Å
364F90.5Very high91.5Very high10 Ų1045.6 Ų45.64%0.04425%0.254CS..Hα-helixtrans-64.1-40177.3-170.3-119.9000112.9D185 C319 L322 I358 R366 L367 A368 D462 C463D185-F364 HydrophobicContact CB-CB 4.03Å; D185-F364 PolarHBondContact OD2-N 3.05Å; D185-F364 VanDerWaalsContact OD2-N 3.09Å; C319-F364 HydrophobicContact CB-CE2 4.37Å; C319-F364 HydrophobicContact CB-CZ 4.26Å; C319-F364 WeakPolarHBondContact SG-CE2 3.44Å; C319-F364 WeakPolarHBondContact SG-CZ 3.35Å; L322-F364 HydrophobicContact CD2-CE2 4.47Å; I358-F364 HydrophobicContact CD1-CD2 4.14Å; I358-F364 HydrophobicContact CG1-CD2 4.07Å; F364-R366 PolarHBondContact O-N 2.96Å; F364-L367 HydrophobicContact CD2-CD2 4.2Å; F364-L367 HydrophobicContact CE2-CD2 4.31Å; F364-L367 WeakPolarHBondContact O-CA 3.36Å; F364-L367 WeakPolarHBondContact O-CB 3.47Å; F364-L367 PolarHBondContact O-N 3.46Å; F364-A368 PolarHBondContact O-N 3.5Å; F364-D462 HydrophobicContact CE1-CB 3.96Å; F364-D462 HydrophobicContact CZ-CB 3.66Å; F364-C463 HydrophobicContact CD1-CB 4.04Å; F364-C463 HydrophobicContact CE1-CB 3.62Å; F364-C463 HydrophobicContact CZ-CB 4.38Å
365N89.7Confident91.4Very high95 Ų9545.6 Ų45.651%0.50825%0.254SS..Hα-helixtrans-59.3-38.9175.5-70.7-11.2000111.7S363 A368 S369 C463S363-N365 PolarHBondContact OG-N 3.3Å; N365-A368 PolarHBondContact O-N 3.19Å; N365-S369 PolarHBondContact O-N 3.42Å; N365-S369 PolarHBondContact O-OG 3.02Å; N365-C463 PolarHBondContact OD1-SG 2.9Å
366R91.4Very high91.2Very high156 Ų15646.2 Ų46.259%0.58926%0.257SS*.Hα-helixtrans-70.9-32.9176.4-167.8170.4177.2-167.69.4111.9A361 S363 F364 S369 M370A361-R366 WeakPolarHBondContact O-CD 3.4Å; S363-R366 PolarHBondContact O-N 3.45Å; F364-R366 PolarHBondContact O-N 2.96Å; R366-S369 PolarHBondContact O-OG 2.99Å; R366-M370 HydrophobicContact CG-CE 4.02Å; R366-M370 WeakPolarHBondContact O-CG 3.46Å; R366-M370 PolarHBondContact O-N 3.28Å
367L92.4Very high91Very high0 Ų042.2 Ų42.20%024%0.243CC..Hα-helixtrans-65.3-41173.5-176.264.1000111.4L322 L357 I358 A361 S363 F364 S369 M370 L375 L378L322-L367 HydrophobicContact CD2-CD2 4.48Å; L357-L367 HydrophobicContact CB-CD1 4.45Å; L357-L367 HydrophobicContact CB-CD2 4.14Å; I358-L367 HydrophobicContact CG1-CD2 4.06Å; A361-L367 HydrophobicContact CB-CB 3.73Å; A361-L367 HydrophobicContact CB-CD1 3.98Å; A361-L367 HydrophobicContact CB-CG 4.4Å; S363-L367 PolarHBondContact O-N 3.26Å; F364-L367 HydrophobicContact CD2-CD2 4.2Å; F364-L367 HydrophobicContact CE2-CD2 4.31Å; F364-L367 WeakPolarHBondContact O-CA 3.36Å; F364-L367 WeakPolarHBondContact O-CB 3.47Å; F364-L367 PolarHBondContact O-N 3.46Å; L367-S369 VanDerWaalsContact C-N 3.35Å; L367-S369 PolarHBondContact O-N 3.43Å; L367-M370 PolarHBondContact O-N 2.71Å; L367-L375 HydrophobicContact CD1-CD1 4.07Å; L367-L375 HydrophobicContact CD1-CG 4.22Å; L367-L378 HydrophobicContact CD1-CD1 3.8Å
368A92.2Very high90.9Very high1 Ų142.7 Ų42.71%0.00825%0.246CC..Hα-helixtrans-68.3-30.7179.200000113.6F364 N365 C459 R460 C463 F464F364-A368 PolarHBondContact O-N 3.5Å; N365-A368 PolarHBondContact O-N 3.19Å; A368-C459 HydrophobicContact CB-CB 4.44Å; A368-R460 HydrophobicContact CB-CG 4.32Å; A368-R460 WeakPolarHBondContact O-CG 3.28Å; A368-R460 PolarHBondContact O-NE 3.48Å; A368-R460 VanDerWaalsContact O-NE 3.15Å; A368-C463 HydrophobicContact CB-CB 3.7Å; A368-F464 HydrophobicContact CB-CE2 4.11Å
369S92Very high90.5Very high82 Ų8245.1 Ų45.157%0.57327%0.271SS*.Hα-helixtrans-79.9-16.9176.666.20000114N365 R366 L367N365-S369 PolarHBondContact O-N 3.42Å; N365-S369 PolarHBondContact O-OG 3.02Å; R366-S369 PolarHBondContact O-OG 2.99Å; L367-S369 VanDerWaalsContact C-N 3.35Å; L367-S369 PolarHBondContact O-N 3.43Å
370M93.1Very high90.1Very high21 Ų2143.9 Ų43.910%0.10326%0.26CS..SBendtrans-68.1142.4177.3-75.8-175.6-162.700112.2A361 R366 L367 R374 L378A361-M370 HydrophobicContact CB-CE 3.9Å; R366-M370 HydrophobicContact CG-CE 4.02Å; R366-M370 WeakPolarHBondContact O-CG 3.46Å; R366-M370 PolarHBondContact O-N 3.28Å; L367-M370 PolarHBondContact O-N 2.71Å; M370-R374 HydrophobicContact CB-CB 4.32Å; M370-R374 HydrophobicContact CB-CG 4.4Å; M370-R374 HydrophobicContact CG-CG 4.07Å; M370-R374 HydrophobicContact SD-CG 3.72Å; M370-L378 HydrophobicContact CE-CD2 4.47Å; M370-L378 HydrophobicContact SD-CD1 4.23Å; M370-L378 HydrophobicContact SD-CD2 4.03Å
371P94.4Very high89.6Confident69 Ų6942.1 Ų42.145%0.44826%0.255SS..  trans-72.6160.6169.230.8-34.9000111T373 R374 L375P371-T373 VanDerWaalsContact C-N 3.26Å; P371-T373 PolarHBondContact O-N 2.91Å; P371-R374 HydrophobicContact CG-CB 3.82Å; P371-R374 PolarHBondContact O-N 3.03Å; P371-L375 PolarHBondContact O-N 3.33Å
372S91.3Very high89.2Confident30 Ų3050 Ų5021%0.2129%0.288CS..Hα-helixtrans-60.7-35.2-177.563.20000113.1R374 L375 L376 D453S372-R374 VanDerWaalsContact C-N 3.29Å; S372-R374 PolarHBondContact O-N 2.94Å; S372-L375 PolarHBondContact O-N 3.2Å; S372-L376 WeakPolarHBondContact O-CB 3.45Å; S372-L376 PolarHBondContact O-N 3.23Å; S372-D453 WeakPolarHBondContact CB-OD1 3.29Å; S372-D453 PolarHBondContact OG-OD1 2.96Å
373T88.9Confident88.7Confident102 Ų10248.5 Ų48.563%0.62627%0.274SS*.Hα-helixtrans-60.5-37.6174.255.60000112.4P371 S377P371-T373 VanDerWaalsContact C-N 3.26Å; P371-T373 PolarHBondContact O-N 2.91Å; T373-S377 PolarHBondContact O-N 3.3Å
374R89.3Confident88.3Confident94 Ų9448.7 Ų48.736%0.35527%0.271SS..Hα-helixtrans-74.8-44.7177.3-174.964.2-172.1175.3-3.1111M370 P371 S372 L376 S377 L378M370-R374 HydrophobicContact CB-CB 4.32Å; M370-R374 HydrophobicContact CB-CG 4.4Å; M370-R374 HydrophobicContact CG-CG 4.07Å; M370-R374 HydrophobicContact SD-CG 3.72Å; P371-R374 HydrophobicContact CG-CB 3.82Å; P371-R374 PolarHBondContact O-N 3.03Å; S372-R374 VanDerWaalsContact C-N 3.29Å; S372-R374 PolarHBondContact O-N 2.94Å; R374-L376 VanDerWaalsContact C-N 3.26Å; R374-L376 PolarHBondContact O-N 3.29Å; R374-S377 WeakPolarHBondContact O-CA 3.47Å; R374-S377 PolarHBondContact O-N 2.86Å; R374-S377 PolarHBondContact O-OG 3.33Å; R374-L378 PolarHBondContact O-N 3.3Å
375L90.4Very high88Confident1 Ų155.8 Ų55.81%0.00530%0.303CS..Hα-helixtrans-56.3-42.8177.4-164.3158.4000110.9L357 L367 P371 S372 S377 L378 L399 A452 S455 V456L357-L375 HydrophobicContact CD2-CD2 4.2Å; L367-L375 HydrophobicContact CD1-CD1 4.07Å; L367-L375 HydrophobicContact CD1-CG 4.22Å; P371-L375 PolarHBondContact O-N 3.33Å; S372-L375 PolarHBondContact O-N 3.2Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.11Å; L375-L378 HydrophobicContact CG-CD1 4.32Å; L375-L378 WeakPolarHBondContact O-CB 3.48Å; L375-L378 WeakPolarHBondContact O-CG 3.4Å; L375-L378 PolarHBondContact O-N 3.1Å; L375-L399 HydrophobicContact CD2-CD1 3.24Å; L375-L399 HydrophobicContact CD2-CG 4.1Å; L375-A452 HydrophobicContact CD2-CB 4.44Å; L375-S455 WeakPolarHBondContact CD1-OG 3.25Å; L375-S455 WeakPolarHBondContact CD2-OG 3.32Å; L375-V456 HydrophobicContact CB-CG2 4.29Å; L375-V456 HydrophobicContact CD1-CG2 3.67Å
376L87.9Confident87.7Confident12 Ų1261.8 Ų61.86%0.06332%0.318CS..Hα-helixtrans-59.6-33.4174.7-176.760.6000113.6S372 R374 T394 A448 R449 A452S372-L376 WeakPolarHBondContact O-CB 3.45Å; S372-L376 PolarHBondContact O-N 3.23Å; R374-L376 VanDerWaalsContact C-N 3.26Å; R374-L376 PolarHBondContact O-N 3.29Å; L376-T394 HydrophobicContact CD2-CG2 3.67Å; L376-A448 HydrophobicContact CD1-CB 3.81Å; L376-R449 HydrophobicContact CD2-CG 3.83Å; L376-A452 HydrophobicContact CB-CB 3.96Å; L376-A452 HydrophobicContact CD1-CB 4.31Å
377S87.2Confident86.6Confident5 Ų562.4 Ų62.44%0.03533%0.325CS..Hα-helixtrans-84.1-6.4-17973.90000114.6T373 R374 L375 G379 A380T373-S377 PolarHBondContact O-N 3.3Å; R374-S377 WeakPolarHBondContact O-CA 3.47Å; R374-S377 PolarHBondContact O-N 2.86Å; R374-S377 PolarHBondContact O-OG 3.33Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.11Å; S377-G379 PolarHBondContact O-N 3.14Å; S377-A380 PolarHBondContact O-N 2.95Å
378L89Confident85.1Confident10 Ų1066 Ų665%0.05236%0.362CS..THydrogen-bonded Turntrans-61.2134.3179.8-66.2176.9000110.8L357 L367 M370 R374 L375 A380 G397 L398L357-L378 HydrophobicContact CD2-CB 4.41Å; L357-L378 HydrophobicContact CD2-CD1 4.06Å; L367-L378 HydrophobicContact CD1-CD1 3.8Å; M370-L378 HydrophobicContact CE-CD2 4.47Å; M370-L378 HydrophobicContact SD-CD1 4.23Å; M370-L378 HydrophobicContact SD-CD2 4.03Å; R374-L378 PolarHBondContact O-N 3.3Å; L375-L378 HydrophobicContact CG-CD1 4.32Å; L375-L378 WeakPolarHBondContact O-CB 3.48Å; L375-L378 WeakPolarHBondContact O-CG 3.4Å; L375-L378 PolarHBondContact O-N 3.1Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.32Å; L378-G397 WeakPolarHBondContact O-CA 3.41Å; L378-L398 PolarHBondContact O-N 2.89Å
379G83.7Confident83.9Confident51 Ų5166.8 Ų66.853%0.52637%0.37SS..THydrogen-bonded Turntrans83.7-13.8-172.200000115.4S377S377-G379 PolarHBondContact O-N 3.14Å
380A84.7Confident82.6Confident5 Ų566.4 Ų66.44%0.04137%0.372CS..  trans-115.415.3-176.700000114.3S377 L378 K382 G383 L384 T396S377-A380 PolarHBondContact O-N 2.95Å; L378-A380 VanDerWaalsContact C-N 3.29Å; L378-A380 PolarHBondContact O-N 3.32Å; A380-K382 PolarHBondContact O-N 3.18Å; A380-G383 PolarHBondContact O-N 3.33Å; A380-L384 PolarHBondContact O-N 2.91Å; A380-T396 WeakPolarHBondContact CB-OG1 3.39Å
381S81.7Confident81.5Confident50 Ų5069.1 Ų69.135%0.3539%0.39SS..Hα-helixtrans-54.6-46.5-174.2570000112.9G383 L384 F385S381-G383 VanDerWaalsContact C-N 3.3Å; S381-G383 PolarHBondContact O-N 2.85Å; S381-L384 WeakPolarHBondContact O-CB 3Å; S381-L384 PolarHBondContact O-N 3.08Å; S381-F385 WeakPolarHBondContact O-CD2 3.12Å; S381-F385 PolarHBondContact O-N 3.31Å; S381-F385 VanDerWaalsContact O-N 3.09Å
382K84.3Confident80.2Confident166 Ų16666.9 Ų66.972%0.72238%0.375SS*.Hα-helixtrans-57.4-41.9176.7-67.8-177179.5178.10112.2A380 R386A380-K382 PolarHBondContact O-N 3.18Å; K382-R386 WeakPolarHBondContact O-CB 3.28Å; K382-R386 VanDerWaalsContact O-CG 3.27Å; K382-R386 WeakPolarHBondContact O-CG 3.43Å; K382-R386 PolarHBondContact O-N 3.39Å; K382-R386 VanDerWaalsContact O-N 3.1Å
383G79.5Confident78.9Confident23 Ų2365.8 Ų65.824%0.23737%0.368CS..Hα-helixtrans-70.7-36.9178.800000113A380 S381 K387A380-G383 PolarHBondContact O-N 3.33Å; S381-G383 VanDerWaalsContact C-N 3.3Å; S381-G383 PolarHBondContact O-N 2.85Å; G383-K387 PolarHBondContact O-N 3.27Å; G383-K387 VanDerWaalsContact O-N 3.11Å
384L81.3Confident77.8Confident39 Ų3961.1 Ų61.120%0.20434%0.339CS..Hα-helixtrans-61.2-47.1176.6-177.966.3000111.4A380 S381 G388 A393A380-L384 PolarHBondContact O-N 2.91Å; S381-L384 WeakPolarHBondContact O-CB 3Å; S381-L384 PolarHBondContact O-N 3.08Å; L384-G388 PolarHBondContact O-N 2.88Å; L384-G388 VanDerWaalsContact O-N 3.17Å; L384-A393 HydrophobicContact CD1-CB 4.27Å
385F83.2Confident76.7Confident159 Ų15958 Ų5870%0.69733%0.332SS*.Hα-helixtrans-76.3-29.2-179.1-65.6-62.8000113.5S381S381-F385 WeakPolarHBondContact O-CD2 3.12Å; S381-F385 PolarHBondContact O-N 3.31Å; S381-F385 VanDerWaalsContact O-N 3.09Å
386R83.3Confident75.6Confident222 Ų22260.7 Ų60.784%0.83835%0.348SS*.Hα-helixtrans-75-42.4177.5-77.5-179.7174-166.9-2.3114K382K382-R386 WeakPolarHBondContact O-CB 3.28Å; K382-R386 VanDerWaalsContact O-CG 3.27Å; K382-R386 WeakPolarHBondContact O-CG 3.43Å; K382-R386 PolarHBondContact O-N 3.39Å; K382-R386 VanDerWaalsContact O-N 3.1Å
387K69.9Low75Confident169 Ų16960.1 Ų60.174%0.73535%0.345SS*.Hα-helixtrans-105.94.1-172.2-68.9-174176.1-176.90113.8G383 G389 V392G383-K387 PolarHBondContact O-N 3.27Å; G383-K387 VanDerWaalsContact O-N 3.11Å; K387-G389 VanDerWaalsContact C-N 3.29Å; K387-G389 PolarHBondContact O-N 3.18Å; K387-V392 HydrophobicContact CB-CG2 3.86Å; K387-V392 HydrophobicContact CD-CG2 4.09Å
388G60.6Low74.7Confident75 Ų7561.4 Ų61.477%0.77335%0.351SS*.THydrogen-bonded Turntrans53.239.9173.300000114.5L384L384-G388 PolarHBondContact O-N 2.88Å; L384-G388 VanDerWaalsContact O-N 3.17Å
389G65.4Low74.4Confident18 Ų1861 Ų6119%0.18635%0.349CS..  trans-145125.9-166.900000115.3K387 V391 V392K387-G389 VanDerWaalsContact C-N 3.29Å; K387-G389 PolarHBondContact O-N 3.18Å; G389-V391 PolarHBondContact O-N 3.28Å; G389-V391 VanDerWaalsContact O-N 3.1Å; G389-V392 PolarHBondContact O-N 3.49Å
390A66.4Low73.8Confident74 Ų7458.6 Ų58.661%0.61232%0.324SS*.Hα-helixtrans-53.8-25.4165.700000112.7V392 A393 T394A390-V392 VanDerWaalsContact C-N 3.3Å; A390-V392 PolarHBondContact O-N 3.27Å; A390-A393 PolarHBondContact O-N 3.18Å; A390-T394 VanDerWaalsContact O-CG2 3.3Å; A390-T394 WeakPolarHBondContact O-CG2 3.35Å; A390-T394 PolarHBondContact O-N 2.87Å; A390-T394 VanDerWaalsContact O-N 3.12Å; A390-T394 PolarHBondContact O-OG1 3.34Å
391V69.5Low73.4Confident78 Ų7861.5 Ų61.547%0.47334%0.339SS..Hα-helixtrans-59.1-41.8174.8-178.90000111.2G389 T394 S395G389-V391 PolarHBondContact O-N 3.28Å; G389-V391 VanDerWaalsContact O-N 3.1Å; V391-T394 PolarHBondContact O-N 3.4Å; V391-T394 PolarHBondContact O-OG1 2.95Å; V391-S395 VanDerWaalsContact O-CB 3.27Å; V391-S395 WeakPolarHBondContact O-CB 3.48Å; V391-S395 PolarHBondContact O-N 2.97Å; V391-S395 VanDerWaalsContact O-N 3.12Å; V391-S395 PolarHBondContact O-OG 3.15Å
392V67.8Low72.9Confident21 Ų2159.3 Ų59.313%0.12732%0.324CS..Hα-helixtrans-65.2-49.8-178.7-179.60000110.3K387 G389 A390 T394 S395 T396K387-V392 HydrophobicContact CB-CG2 3.86Å; K387-V392 HydrophobicContact CD-CG2 4.09Å; G389-V392 PolarHBondContact O-N 3.49Å; A390-V392 VanDerWaalsContact C-N 3.3Å; A390-V392 PolarHBondContact O-N 3.27Å; V392-T394 VanDerWaalsContact C-N 3.29Å; V392-T394 PolarHBondContact O-N 3.17Å; V392-S395 WeakPolarHBondContact CA-OG 3.33Å; V392-S395 CarbonylContact O-C 3.57Å; V392-S395 PolarHBondContact O-N 3.45Å; V392-S395 PolarHBondContact O-OG 3.02Å; V392-T396 HydrophobicContact CG1-CG2 4.45Å; V392-T396 WeakPolarHBondContact CG1-OG1 3.37Å; V392-T396 PolarHBondContact O-N 2.65Å; V392-T396 PolarHBondContact O-OG1 3.09Å
393A62.5Low72.1Confident8 Ų851.6 Ų51.67%0.06629%0.291CS..Hα-helixtrans-52.4-47.2175.800000112.2L384 A390 S395 G397L384-A393 HydrophobicContact CD1-CB 4.27Å; A390-A393 PolarHBondContact O-N 3.18Å; A393-S395 PolarHBondContact O-N 3.42Å; A393-G397 PolarHBondContact O-N 2.87Å
394T65.9Low71.3Confident4 Ų454.5 Ų54.53%0.02530%0.297CS..Hα-helixtrans-68.2-17.4179.562.60000114.2L376 A390 V391 V392 S400 R449L376-T394 HydrophobicContact CD2-CG2 3.67Å; A390-T394 VanDerWaalsContact O-CG2 3.3Å; A390-T394 WeakPolarHBondContact O-CG2 3.35Å; A390-T394 PolarHBondContact O-N 2.87Å; A390-T394 VanDerWaalsContact O-N 3.12Å; A390-T394 PolarHBondContact O-OG1 3.34Å; V391-T394 PolarHBondContact O-N 3.4Å; V391-T394 PolarHBondContact O-OG1 2.95Å; V392-T394 VanDerWaalsContact C-N 3.29Å; V392-T394 PolarHBondContact O-N 3.17Å; T394-S400 WeakPolarHBondContact O-CB 3.05Å; T394-S400 PolarHBondContact O-OG 3.49Å; T394-R449 HydrophobicContact CG2-CG 4.38Å
395S66.1Low70.1Confident29 Ų2957.2 Ų57.220%0.20331%0.311CS..Hα-helixtrans-109.9-23.8-171.769.60000114.5V391 V392 A393 S400 K404V391-S395 VanDerWaalsContact O-CB 3.27Å; V391-S395 WeakPolarHBondContact O-CB 3.48Å; V391-S395 PolarHBondContact O-N 2.97Å; V391-S395 VanDerWaalsContact O-N 3.12Å; V391-S395 PolarHBondContact O-OG 3.15Å; V392-S395 WeakPolarHBondContact CA-OG 3.33Å; V392-S395 CarbonylContact O-C 3.57Å; V392-S395 PolarHBondContact O-N 3.45Å; V392-S395 PolarHBondContact O-OG 3.02Å; A393-S395 PolarHBondContact O-N 3.42Å; S395-S400 VanDerWaalsContact C-OG 3.24Å; S395-S400 WeakPolarHBondContact CA-OG 3.05Å; S395-S400 PolarHBondContact O-OG 3.02Å; S395-K404 WeakPolarHBondContact O-CE 3.44Å; S395-K404 PolarHBondContact O-NZ 3.04Å
396T67.8Low68.5Low56 Ų5651.4 Ų51.434%0.34429%0.287SS..Hα-helixtrans-126.9-1.5-174.860.90000113.4A380 V392 N401A380-T396 WeakPolarHBondContact CB-OG1 3.39Å; V392-T396 HydrophobicContact CG1-CG2 4.45Å; V392-T396 WeakPolarHBondContact CG1-OG1 3.37Å; V392-T396 PolarHBondContact O-N 2.65Å; V392-T396 PolarHBondContact O-OG1 3.09Å; T396-N401 PolarHBondContact O-ND2 3.38Å
397G75.4Confident66.6Low0 Ų046.8 Ų46.80%027%0.269CS..SBendtrans-63.3160.117500000112.3L378 A393 L399 S400 N401L378-G397 WeakPolarHBondContact O-CA 3.41Å; A393-G397 PolarHBondContact O-N 2.87Å; G397-L399 VanDerWaalsContact C-N 3.31Å; G397-L399 PolarHBondContact O-N 3.42Å; G397-S400 WeakPolarHBondContact O-CA 3.32Å; G397-S400 VanDerWaalsContact O-CB 3.28Å; G397-S400 WeakPolarHBondContact O-CB 3.45Å; G397-S400 PolarHBondContact O-N 2.99Å; G397-N401 PolarHBondContact O-N 2.98Å
398L81.7Confident64.9Low32 Ų3244.3 Ų44.317%0.16826%0.264CS..Hα-helixtrans-53-46.9-179.6-73.9177.7000112.7R356 L357 N360 L378 S400 N401 A402R356-L398 HydrophobicContact CB-CD1 3.83Å; R356-L398 HydrophobicContact CB-CD2 4.39Å; L357-L398 HydrophobicContact CD2-CB 4.29Å; L357-L398 HydrophobicContact CD2-CD1 4.03Å; L357-L398 HydrophobicContact CG-CD1 4.45Å; N360-L398 WeakPolarHBondContact ND2-CD1 3.34Å; L378-L398 PolarHBondContact O-N 2.89Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3.35Å; L398-N401 PolarHBondContact O-N 3.25Å; L398-A402 PolarHBondContact O-N 3.45Å
399L81Confident63.8Low1 Ų145.2 Ų45.21%0.00526%0.256CS..Hα-helixtrans-64.9-34.1176.4-66.3-176.8000112.8L326 V353 L357 L375 G397 A402 T403 L451 A452L326-L399 HydrophobicContact CD2-CD2 4.1Å; V353-L399 HydrophobicContact CG1-CD2 4.17Å; L357-L399 HydrophobicContact CD1-CD2 3.93Å; L357-L399 HydrophobicContact CD2-CD2 4.49Å; L357-L399 HydrophobicContact CD2-CG 4.45Å; L375-L399 HydrophobicContact CD2-CD1 3.24Å; L375-L399 HydrophobicContact CD2-CG 4.1Å; G397-L399 VanDerWaalsContact C-N 3.31Å; G397-L399 PolarHBondContact O-N 3.42Å; L399-A402 PolarHBondContact O-N 2.96Å; L399-T403 WeakPolarHBondContact O-CG2 3.37Å; L399-T403 PolarHBondContact O-N 3.31Å; L399-T403 PolarHBondContact O-OG1 3.44Å; L399-L451 HydrophobicContact CB-CD2 4.21Å; L399-L451 HydrophobicContact CD1-CD2 3.49Å; L399-L451 VanDerWaalsContact CD1-CD2 3.49Å; L399-L451 HydrophobicContact CD2-CD2 3.42Å; L399-L451 VanDerWaalsContact CD2-CD2 3.42Å; L399-L451 HydrophobicContact CG-CD2 3.87Å; L399-A452 HydrophobicContact CD1-CB 3.86Å
400S72.2Confident62.2Low1 Ų154 Ų541%0.00729%0.289CS..Hα-helixtrans-66.9-40.2175.7-168.30000110.9T394 S395 G397 L398 T403 K404T394-S400 WeakPolarHBondContact O-CB 3.05Å; T394-S400 PolarHBondContact O-OG 3.49Å; S395-S400 VanDerWaalsContact C-OG 3.24Å; S395-S400 WeakPolarHBondContact CA-OG 3.05Å; S395-S400 PolarHBondContact O-OG 3.02Å; G397-S400 WeakPolarHBondContact O-CA 3.32Å; G397-S400 VanDerWaalsContact O-CB 3.28Å; G397-S400 WeakPolarHBondContact O-CB 3.45Å; G397-S400 PolarHBondContact O-N 2.99Å; L398-S400 VanDerWaalsContact C-N 3.3Å; L398-S400 PolarHBondContact O-N 3.35Å; S400-T403 WeakPolarHBondContact CA-OG1 3.38Å; S400-T403 PolarHBondContact O-N 3.29Å; S400-T403 PolarHBondContact O-OG1 3.02Å; S400-K404 VanDerWaalsContact O-CG 3.31Å; S400-K404 WeakPolarHBondContact O-CG 3.26Å; S400-K404 PolarHBondContact O-N 3.09Å
401N75.8Confident60.3Low66 Ų6657.4 Ų57.435%0.35330%0.297SS..Hα-helixtrans-68.8-39.4176.2-67.3-20.7000111.7T396 G397 L398 T403 K404 I405T396-N401 PolarHBondContact O-ND2 3.38Å; G397-N401 PolarHBondContact O-N 2.98Å; L398-N401 PolarHBondContact O-N 3.25Å; N401-T403 VanDerWaalsContact C-N 3.35Å; N401-T403 PolarHBondContact O-N 3.28Å; N401-K404 PolarHBondContact O-N 3.34Å; N401-K404 PolarHBondContact OD1-NZ 3.04Å; N401-I405 PolarHBondContact O-N 2.7Å
402A71.1Confident58.3Low4 Ų459 Ų593%0.03331%0.309CS..Hα-helixtrans-59.8-44.5172.800000111.7L330 L348 V353 L398 L399 K404 I405L330-A402 HydrophobicContact CD1-CB 4.01Å; L330-A402 HydrophobicContact CD2-CB 3.84Å; L348-A402 HydrophobicContact CD2-CB 4.43Å; V353-A402 HydrophobicContact CG1-CB 4.24Å; V353-A402 HydrophobicContact CG2-CB 3.99Å; L398-A402 PolarHBondContact O-N 3.45Å; L399-A402 PolarHBondContact O-N 2.96Å; A402-K404 VanDerWaalsContact C-N 3.29Å; A402-K404 PolarHBondContact O-N 3.16Å; A402-I405 PolarHBondContact O-N 3.18Å
403T68Low56.3Low4 Ų462.9 Ų62.93%0.02533%0.332CS..Hα-helixtrans-74.3-12.4178.453.90000114.9L399 S400 N401 L406 H444 L451L399-T403 WeakPolarHBondContact O-CG2 3.37Å; L399-T403 PolarHBondContact O-N 3.31Å; L399-T403 PolarHBondContact O-OG1 3.44Å; S400-T403 WeakPolarHBondContact CA-OG1 3.38Å; S400-T403 PolarHBondContact O-N 3.29Å; S400-T403 PolarHBondContact O-OG1 3.02Å; N401-T403 VanDerWaalsContact C-N 3.35Å; N401-T403 PolarHBondContact O-N 3.28Å; T403-L406 HydrophobicContact CG2-CD1 4.47Å; T403-H444 PolarHBondContact O-ND1 3.07Å; T403-H444 VanDerWaalsContact O-ND1 3.11Å; T403-L451 HydrophobicContact CG2-CD1 3.98Å
404K62.5Low54.6Low84 Ų8469.2 Ų69.237%0.36537%0.365SS..Hα-helixtrans-77.5-25.6169.9-76.9172.3-164.9164.80112.5S395 S400 N401 A402 L406 R407S395-K404 WeakPolarHBondContact O-CE 3.44Å; S395-K404 PolarHBondContact O-NZ 3.04Å; S400-K404 VanDerWaalsContact O-CG 3.31Å; S400-K404 WeakPolarHBondContact O-CG 3.26Å; S400-K404 PolarHBondContact O-N 3.09Å; N401-K404 PolarHBondContact O-N 3.34Å; N401-K404 PolarHBondContact OD1-NZ 3.04Å; A402-K404 VanDerWaalsContact C-N 3.29Å; A402-K404 PolarHBondContact O-N 3.16Å; K404-L406 PolarHBondContact O-N 2.8Å; K404-R407 WeakPolarHBondContact O-CB 3.45Å
405I55.1Low53Low96 Ų9675.6 Ų75.649%0.49240%0.404SS..SBendtrans-78.5-6.7179.8-62.2164000111.7L348 N401 A402 R407L348-I405 HydrophobicContact CB-CD1 3.95Å; L348-I405 HydrophobicContact CD2-CD1 3.49Å; L348-I405 VanDerWaalsContact CD2-CD1 3.49Å; L348-I405 HydrophobicContact CG-CD1 4.34Å; N401-I405 PolarHBondContact O-N 2.7Å; A402-I405 PolarHBondContact O-N 3.18Å; I405-R407 PolarHBondContact O-N 2.83Å
406L51.4Low51.1Low37 Ų3781.2 Ų81.219%0.19443%0.432CS..  trans-62.630.8166.7-101.1112.9000113.7L330 T403 K404 A427L330-L406 HydrophobicContact CD2-CD1 3.88Å; T403-L406 HydrophobicContact CG2-CD1 4.47Å; K404-L406 PolarHBondContact O-N 2.8Å; L406-A427 HydrophobicContact CD2-CB 3.89Å
407R42.5Very low49.2Very low126 Ų12685.6 Ų85.648%0.47545%0.454SS..  trans-127.8111.3-162.5-165.5170.4179.8-169.7-2.9110.4K404 I405K404-R407 WeakPolarHBondContact O-CB 3.45Å; I405-R407 PolarHBondContact O-N 2.83Å
408D35.1Very low47.3Very low117 Ų11793.9 Ų93.963%0.62650%0.497SS*.  trans92.677.2161-53.2-24.2000116K410D408-K410 PolarHBondContact O-N 3.09Å
409P36.2Very low45Very low93 Ų93100.3 Ų100.360%0.60453%0.526SS*.  trans-66.7122.3142.130.7-26.6000106.1L411P409-L411 PolarHBondContact O-N 3.17Å
410K31Very low42.5Very low203 Ų203106.8 Ų106.888%0.88357%0.568SS**  trans-54.9108.5161.3-68.9176179.5176.20105.9D408 P412D408-K410 PolarHBondContact O-N 3.09Å; K410-P412 VanDerWaalsContact O-CD 3.23Å; K410-P412 WeakPolarHBondContact O-CD 3.17Å
411L26.8Very low40.5Very low146 Ų146109.9 Ų109.976%0.76459%0.594SS**  trans-60.6118.5178.2-164.885.9000108P409 T413P409-L411 PolarHBondContact O-N 3.17Å; L411-T413 PolarHBondContact O-N 3.08Å
412P28.1Very low38.7Very low111 Ų111113.2 Ų113.272%0.72162%0.617SS**  trans-70.4114.1156-0.719.5000105.7K410K410-P412 VanDerWaalsContact O-CD 3.23Å; K410-P412 WeakPolarHBondContact O-CD 3.17Å
413T25.1Very low37.3Very low102 Ų102116.5 Ų116.563%0.62664%0.644SS**  trans-58.2146.3154.141.90000107.8L411L411-T413 PolarHBondContact O-N 3.08Å
414D26.7Very low36.4Very low141 Ų141118.9 Ų118.975%0.75466%0.66SS**  trans94.391.9173.8-41.3-29000114
415T32.7Very low35.9Very low139 Ų139115.2 Ų115.285%0.85365%0.645SS**  176.6118.8109.8380000109.6
416D26.5Very low35.9Very low147 Ų147111.7 Ų111.779%0.78663%0.629SS**  trans-58.5153.7162.4-68.1-52000110.8
417N29.1Very low36Very low148 Ų148110.6 Ų110.679%0.79163%0.625SS**  trans92.1100179.6-50.5-39.9000114.4
418L33.8Very low36.4Very low174 Ų174106 Ų10691%0.91161%0.614SS**  -176.9121.1125.9-107.3107.3000110.5
419Q33.6Very low37.4Very low167 Ų167104 Ų10478%0.7860%0.601SS**  trans13.7129.1165.9-60.5-172.3-1800121.4A421Q419-A421 PolarHBondContact O-N 3.46Å; Q419-A421 VanDerWaalsContact O-N 3.1Å
420P28.7Very low38.4Very low137 Ų13799.6 Ų99.689%0.8957%0.573SS**  trans-85.184.1172.835.7-29.2000109.7
421A30.4Very low39.4Very low66 Ų6692.6 Ų92.655%0.54554%0.542SS..SBendtrans-148.8113.9170.200000110.8Q419 A423Q419-A421 PolarHBondContact O-N 3.46Å; Q419-A421 VanDerWaalsContact O-N 3.1Å; A421-A423 PolarHBondContact O-N 3.17Å
422T37.9Very low40.8Very low136 Ų13690 Ų9083%0.83454%0.536SS*.  trans70.519.2159.669.80000119.9S424T422-S424 PolarHBondContact O-N 3.44Å
423A42.4Very low42Very low72 Ų7287.5 Ų87.560%0.59552%0.516SS*.  trans-64.9123.9176.900000113.1A421 I425A421-A423 PolarHBondContact O-N 3.17Å; A423-I425 PolarHBondContact O-N 3.37Å
424S49.5Very low43.4Very low54 Ų5482.8 Ų82.838%0.37849%0.488SS..  trans-70.9109.717648.30000110.8T422 S426 Q504T422-S424 PolarHBondContact O-N 3.44Å; S424-S426 PolarHBondContact O-N 2.89Å; S424-S426 VanDerWaalsContact O-N 3.16Å; S424-Q504 VanDerWaalsContact CB-OE1 3.23Å
425I52.1Low44.7Very low7 Ų779.6 Ų79.64%0.03648%0.48CS..  trans-74.4113.2-174-43173.3000110.5A423 E429 L430 L433 R508 T518A423-I425 PolarHBondContact O-N 3.37Å; I425-E429 WeakPolarHBondContact CA-OE2 3.46Å; I425-E429 HydrophobicContact CG2-CB 3.5Å; I425-L430 HydrophobicContact CB-CD2 4.25Å; I425-L430 HydrophobicContact CB-CG 4.31Å; I425-L430 HydrophobicContact CD1-CD2 4.26Å; I425-L430 HydrophobicContact CG2-CD2 3.64Å; I425-L430 HydrophobicContact CG2-CG 3.62Å; I425-L433 HydrophobicContact CG2-CD1 4.01Å; I425-R508 HydrophobicContact CD1-CB 3.87Å; I425-R508 HydrophobicContact CD1-CG 3.54Å; I425-R508 HydrophobicContact CG1-CB 4.41Å; I425-R508 HydrophobicContact CG1-CG 4.36Å; I425-T518 HydrophobicContact CD1-CG2 3.39Å; I425-T518 HydrophobicContact CG1-CG2 4Å
426S54.6Low45.8Very low23 Ų2379.3 Ų79.316%0.16147%0.474CS..  trans-66.3154.4170.868.30000111.1S424 A428 E429 L430S424-S426 PolarHBondContact O-N 2.89Å; S424-S426 VanDerWaalsContact O-N 3.16Å; S426-A428 PolarHBondContact O-N 3.24Å; S426-E429 WeakPolarHBondContact CB-OE1 3.33Å; S426-E429 PolarHBondContact N-OE1 3.17Å; S426-E429 PolarHBondContact O-N 2.75Å; S426-E429 VanDerWaalsContact O-N 3.13Å; S426-E429 PolarHBondContact OG-N 3.26Å; S426-E429 PolarHBondContact OG-OE1 3.3Å; S426-L430 PolarHBondContact O-N 2.87Å
427A53.1Low47.3Very low13 Ų1377 Ų7711%0.10745%0.454CS..Hα-helixtrans-60-20.3176.400000112.9L406 V443L406-A427 HydrophobicContact CD2-CB 3.89Å; A427-V443 HydrophobicContact CB-CG1 4.47Å
428A51.7Low49Very low31 Ų3171 Ų7126%0.25642%0.423SS..Hα-helixtrans-73.9-48.1174.300000112.1S426 L430 K431 S432S426-A428 PolarHBondContact O-N 3.24Å; A428-L430 VanDerWaalsContact C-N 3.29Å; A428-L430 PolarHBondContact O-N 2.9Å; A428-K431 WeakPolarHBondContact O-CB 3.42Å; A428-K431 PolarHBondContact O-N 3.15Å; A428-K431 VanDerWaalsContact O-N 3.07Å; A428-S432 PolarHBondContact O-N 2.96Å
429E55.6Low50.7Low73 Ų7369.5 Ų69.534%0.34141%0.411SS..Hα-helixtrans-61.2-38.9172.6-77.4154.7-115.100111.5I425 S426 K431 S432 L433I425-E429 WeakPolarHBondContact CA-OE2 3.46Å; I425-E429 HydrophobicContact CG2-CB 3.5Å; S426-E429 WeakPolarHBondContact CB-OE1 3.33Å; S426-E429 PolarHBondContact N-OE1 3.17Å; S426-E429 PolarHBondContact O-N 2.75Å; S426-E429 VanDerWaalsContact O-N 3.13Å; S426-E429 PolarHBondContact OG-N 3.26Å; S426-E429 PolarHBondContact OG-OE1 3.3Å; E429-K431 PolarHBondContact O-N 3.14Å; E429-K431 VanDerWaalsContact O-N 3.09Å; E429-S432 PolarHBondContact O-N 3.36Å; E429-S432 VanDerWaalsContact O-N 3.16Å; E429-S432 PolarHBondContact O-OG 3.15Å; E429-L433 HydrophobicContact CB-CD1 4.2Å; E429-L433 VanDerWaalsContact O-CB 3.29Å; E429-L433 WeakPolarHBondContact O-CB 3.38Å; E429-L433 VanDerWaalsContact O-CD1 3.3Å; E429-L433 WeakPolarHBondContact O-CD1 3.1Å; E429-L433 WeakPolarHBondContact O-CG 3.39Å; E429-L433 PolarHBondContact O-N 3.24Å
430L56.6Low52.3Low2 Ų266.8 Ų66.81%0.0139%0.394CS..Hα-helixtrans-56.4-31.3175.2-76-179000112.6I425 S426 A428 S434 L507 A511I425-L430 HydrophobicContact CB-CD2 4.25Å; I425-L430 HydrophobicContact CB-CG 4.31Å; I425-L430 HydrophobicContact CD1-CD2 4.26Å; I425-L430 HydrophobicContact CG2-CD2 3.64Å; I425-L430 HydrophobicContact CG2-CG 3.62Å; S426-L430 PolarHBondContact O-N 2.87Å; A428-L430 VanDerWaalsContact C-N 3.29Å; A428-L430 PolarHBondContact O-N 2.9Å; L430-S434 WeakPolarHBondContact O-CB 3.24Å; L430-S434 PolarHBondContact O-N 3.2Å; L430-S434 VanDerWaalsContact O-N 3.07Å; L430-L507 HydrophobicContact CD1-CB 4.09Å; L430-A511 HydrophobicContact CD1-CB 4.34Å; L430-A511 HydrophobicContact CD2-CB 3.2Å; L430-A511 HydrophobicContact CG-CB 4.37Å
431K51.6Low54.5Low56 Ų5664.6 Ų64.624%0.24337%0.374CS..Hα-helixtrans-76.9-43.7178.6-178.3-176.4147.9-170.80111.9A428 E429 L433 S434 R440A428-K431 WeakPolarHBondContact O-CB 3.42Å; A428-K431 PolarHBondContact O-N 3.15Å; A428-K431 VanDerWaalsContact O-N 3.07Å; E429-K431 PolarHBondContact O-N 3.14Å; E429-K431 VanDerWaalsContact O-N 3.09Å; K431-L433 VanDerWaalsContact C-N 3.34Å; K431-S434 PolarHBondContact O-N 2.93Å; K431-S434 PolarHBondContact O-OG 3.45Å; K431-R440 HydrophobicContact CD-CG 3.96Å; K431-R440 HydrophobicContact CG-CG 4.45Å
432S56.2Low56.8Low91 Ų9164 Ų6464%0.63636%0.364SS*.Hα-helixtrans-63.5-43.2175.860.70000110.8A428 E429 S434A428-S432 PolarHBondContact O-N 2.96Å; E429-S432 PolarHBondContact O-N 3.36Å; E429-S432 VanDerWaalsContact O-N 3.16Å; E429-S432 PolarHBondContact O-OG 3.15Å; S432-S434 VanDerWaalsContact C-N 3.3Å; S432-S434 PolarHBondContact O-N 3.42Å
433L54.5Low58.6Low59 Ų5958 Ų5831%0.30933%0.327SS..Hα-helixtrans-68.3-26.5178.3-65.8163.2000113.1I425 E429 K431 A435 I516 T518I425-L433 HydrophobicContact CG2-CD1 4.01Å; E429-L433 HydrophobicContact CB-CD1 4.2Å; E429-L433 VanDerWaalsContact O-CB 3.29Å; E429-L433 WeakPolarHBondContact O-CB 3.38Å; E429-L433 VanDerWaalsContact O-CD1 3.3Å; E429-L433 WeakPolarHBondContact O-CD1 3.1Å; E429-L433 WeakPolarHBondContact O-CG 3.39Å; E429-L433 PolarHBondContact O-N 3.24Å; K431-L433 VanDerWaalsContact C-N 3.34Å; L433-A435 VanDerWaalsContact C-N 3.29Å; L433-A435 PolarHBondContact O-N 3.35Å; L433-I516 HydrophobicContact CB-CG2 3.49Å; L433-I516 VanDerWaalsContact CB-CG2 3.49Å; L433-T518 HydrophobicContact CD1-CG2 3.37Å; L433-T518 HydrophobicContact CD2-CG2 4.29Å; L433-T518 HydrophobicContact CG-CG2 4.45Å
434S54.2Low60.2Low3 Ų355.6 Ų55.62%0.02130%0.304CS..THydrogen-bonded Turntrans-74-11.5-177.675.60000115.4L430 K431 S432 N436 R437 I516L430-S434 WeakPolarHBondContact O-CB 3.24Å; L430-S434 PolarHBondContact O-N 3.2Å; L430-S434 VanDerWaalsContact O-N 3.07Å; K431-S434 PolarHBondContact O-N 2.93Å; K431-S434 PolarHBondContact O-OG 3.45Å; S432-S434 VanDerWaalsContact C-N 3.3Å; S432-S434 PolarHBondContact O-N 3.42Å; S434-N436 PolarHBondContact O-N 3.46Å; S434-N436 VanDerWaalsContact O-N 3.16Å; S434-R437 VanDerWaalsContact O-CB 3.24Å; S434-R437 WeakPolarHBondContact O-CB 3.31Å; S434-R437 WeakPolarHBondContact O-CG 3.28Å; S434-R437 PolarHBondContact O-N 3.22Å; S434-I516 VanDerWaalsContact CB-CD1 3.4Å
435A53.5Low61.7Low73 Ų7356.5 Ų56.560%0.60330%0.299SS*.THydrogen-bonded Turntrans45.445.1-174.700000112.7L433 R437L433-A435 VanDerWaalsContact C-N 3.29Å; L433-A435 PolarHBondContact O-N 3.35Å; A435-R437 PolarHBondContact O-N 3.17Å
436N57.1Low63.3Low133 Ų13360.4 Ų60.471%0.71131%0.313SS*.THydrogen-bonded Turntrans60.316.2-176.4-62.5-42.9000116.1S434 V438S434-N436 PolarHBondContact O-N 3.46Å; S434-N436 VanDerWaalsContact O-N 3.16Å; N436-V438 VanDerWaalsContact C-N 3.33Å; N436-V438 PolarHBondContact O-N 3.01Å
437R56.7Low64.7Low100 Ų10059.6 Ų59.638%0.37731%0.308SS..  trans-66.1-33.2177.1-82.4-178.4174169.93.7113.8S434 A435 G515S434-R437 VanDerWaalsContact O-CB 3.24Å; S434-R437 WeakPolarHBondContact O-CB 3.31Å; S434-R437 WeakPolarHBondContact O-CG 3.28Å; S434-R437 PolarHBondContact O-N 3.22Å; A435-R437 PolarHBondContact O-N 3.17Å; R437-G515 PolarHBondContact NH1-O 2.9Å
438V64.6Low66.2Low22 Ų2259 Ų5913%0.13330%0.303CS..SBendtrans-114.8126.2-175.8-174.20000108.5N436 R440 T442 V443 W510 N514 I516N436-V438 VanDerWaalsContact C-N 3.33Å; N436-V438 PolarHBondContact O-N 3.01Å; V438-R440 PolarHBondContact O-N 3.47Å; V438-T442 HydrophobicContact CG1-CG2 4.15Å; V438-V443 HydrophobicContact CB-CG2 4.19Å; V438-V443 HydrophobicContact CG1-CG2 3.62Å; V438-W510 HydrophobicContact CG1-CH2 3.74Å; V438-W510 HydrophobicContact CG1-CZ3 4.43Å; V438-N514 HydrophobicContact CG2-CB 4.38Å; V438-I516 HydrophobicContact CG2-CD1 4.08Å
439Q70.7Confident68Low142 Ų14262.8 Ų62.866%0.66431%0.31SS*.  trans-58.6134.8174.7-67.9-175.6-1400109.3N441 T442 V443Q439-N441 PolarHBondContact O-N 2.96Å; Q439-N441 VanDerWaalsContact O-N 3.15Å; Q439-T442 WeakPolarHBondContact O-CA 3.35Å; Q439-T442 VanDerWaalsContact O-CB 3.28Å; Q439-T442 WeakPolarHBondContact O-CB 3.33Å; Q439-T442 PolarHBondContact O-N 3.27Å; Q439-V443 PolarHBondContact O-N 2.87Å
440R67.5Low69.6Low109 Ų10959.8 Ų59.841%0.41130%0.297SS..Hα-helixtrans-50-45.1-179.9-60.3175.9-170.9150.4-5.8111.3K431 V438 T442 V443 H444K431-R440 HydrophobicContact CD-CG 3.96Å; K431-R440 HydrophobicContact CG-CG 4.45Å; V438-R440 PolarHBondContact O-N 3.47Å; R440-T442 PolarHBondContact O-N 3.45Å; R440-V443 PolarHBondContact O-N 2.94Å; R440-V443 VanDerWaalsContact O-N 3.1Å; R440-H444 VanDerWaalsContact C-CD2 3.42Å; R440-H444 PolarHBondContact O-CD2 3.22Å; R440-H444 PolarHBondContact O-N 3.47Å
441N73.9Confident71.2Confident91 Ų9160 Ų6049%0.48730%0.298SS..Hα-helixtrans-57.6-33.8177.5-65.3-20.4000113Q439 R445Q439-N441 PolarHBondContact O-N 2.96Å; Q439-N441 VanDerWaalsContact O-N 3.15Å; N441-R445 VanDerWaalsContact O-CB 3.27Å; N441-R445 WeakPolarHBondContact O-CB 3.26Å; N441-R445 WeakPolarHBondContact O-CD 3.1Å; N441-R445 WeakPolarHBondContact O-CG 3.35Å; N441-R445 PolarHBondContact O-N 2.89Å
442T78.4Confident73.1Confident55 Ų5557.3 Ų57.334%0.33729%0.287SS..Hα-helixtrans-69.8-41.2177.7-54.50000111.4V438 Q439 R440 R446 W510V438-T442 HydrophobicContact CG1-CG2 4.15Å; Q439-T442 WeakPolarHBondContact O-CA 3.35Å; Q439-T442 VanDerWaalsContact O-CB 3.28Å; Q439-T442 WeakPolarHBondContact O-CB 3.33Å; Q439-T442 PolarHBondContact O-N 3.27Å; R440-T442 PolarHBondContact O-N 3.45Å; T442-R446 WeakPolarHBondContact O-CB 3.29Å; T442-R446 PolarHBondContact O-N 3.18Å; T442-W510 HydrophobicContact CG2-CH2 4.25Å; T442-W510 HydrophobicContact CG2-CZ2 4.14Å
443V76.5Confident74.8Confident8 Ų856.5 Ų56.55%0.04828%0.275CS..Hα-helixtrans-64.4-51.2175.5-173.60000110.1A427 V438 Q439 R440 R445 R446 A447 W510A427-V443 HydrophobicContact CB-CG1 4.47Å; V438-V443 HydrophobicContact CB-CG2 4.19Å; V438-V443 HydrophobicContact CG1-CG2 3.62Å; Q439-V443 PolarHBondContact O-N 2.87Å; R440-V443 PolarHBondContact O-N 2.94Å; R440-V443 VanDerWaalsContact O-N 3.1Å; V443-R445 VanDerWaalsContact C-N 3.34Å; V443-R445 PolarHBondContact O-N 3.5Å; V443-R446 PolarHBondContact O-N 2.88Å; V443-A447 WeakPolarHBondContact O-CB 3.31Å; V443-A447 PolarHBondContact O-N 3.45Å; V443-W510 HydrophobicContact CG1-CZ3 4.46Å; V443-W510 HydrophobicContact CG2-CH2 4.15Å; V443-W510 HydrophobicContact CG2-CZ3 4.06Å
444H75.8Confident76.7Confident22 Ų2255.6 Ų55.610%0.10227%0.268CS..Hα-helixtrans-59.3-42.8179.3-63.1-62.2000112.1T403 R440 R446 A447 A448T403-H444 PolarHBondContact O-ND1 3.07Å; T403-H444 VanDerWaalsContact O-ND1 3.11Å; R440-H444 VanDerWaalsContact C-CD2 3.42Å; R440-H444 PolarHBondContact O-CD2 3.22Å; R440-H444 PolarHBondContact O-N 3.47Å; H444-R446 VanDerWaalsContact C-N 3.32Å; H444-R446 PolarHBondContact O-N 3.36Å; H444-A447 PolarHBondContact O-N 2.9Å; H444-A448 VanDerWaalsContact O-CB 3.26Å; H444-A448 WeakPolarHBondContact O-CB 3.41Å; H444-A448 PolarHBondContact O-N 3.43Å
445R81.5Confident78.5Confident73 Ų7355.4 Ų55.428%0.27527%0.267SS..Hα-helixtrans-64.5-36.9176.1-71.9171.9-167.9170.52.9112.2N441 V443 R449N441-R445 VanDerWaalsContact O-CB 3.27Å; N441-R445 WeakPolarHBondContact O-CB 3.26Å; N441-R445 WeakPolarHBondContact O-CD 3.1Å; N441-R445 WeakPolarHBondContact O-CG 3.35Å; N441-R445 PolarHBondContact O-N 2.89Å; V443-R445 VanDerWaalsContact C-N 3.34Å; V443-R445 PolarHBondContact O-N 3.5Å; R445-R449 WeakPolarHBondContact O-CG 3.13Å; R445-R449 PolarHBondContact O-N 2.99Å; R445-R449 VanDerWaalsContact O-N 3.15Å
446R84.5Confident80.4Confident89 Ų8952.2 Ų52.234%0.33624%0.24SC..Hα-helixtrans-69-46.3177.2-177.959.2174.5174.71.3111T442 V443 H444 R449 L450 L507 W510T442-R446 WeakPolarHBondContact O-CB 3.29Å; T442-R446 PolarHBondContact O-N 3.18Å; V443-R446 PolarHBondContact O-N 2.88Å; H444-R446 VanDerWaalsContact C-N 3.32Å; H444-R446 PolarHBondContact O-N 3.36Å; R446-R449 PolarHBondContact O-N 3.36Å; R446-L450 HydrophobicContact CG-CD1 4.3Å; R446-L450 PolarHBondContact O-N 3.48Å; R446-L507 HydrophobicContact CG-CD2 4.28Å; R446-W510 HydrophobicContact CB-CH2 4.45Å; R446-W510 HydrophobicContact CB-CZ2 4.3Å; R446-W510 HydrophobicContact CG-CD2 3.98Å; R446-W510 HydrophobicContact CG-CE3 4.46Å; R446-W510 HydrophobicContact CG-CG 4.2Å; R446-W510 HydrophobicContact CG-CZ2 4.29Å
447A84.2Confident82.2Confident7 Ų749.1 Ų49.16%0.05822%0.223CC..Hα-helixtrans-58.6-47.3174.700000111.4V443 H444 R449 L450 L451 L507V443-A447 WeakPolarHBondContact O-CB 3.31Å; V443-A447 PolarHBondContact O-N 3.45Å; H444-A447 PolarHBondContact O-N 2.9Å; A447-R449 VanDerWaalsContact C-N 3.3Å; A447-R449 PolarHBondContact O-N 3.31Å; A447-L450 PolarHBondContact O-N 2.93Å; A447-L451 WeakPolarHBondContact O-CB 3.28Å; A447-L451 PolarHBondContact O-N 2.98Å; A447-L507 HydrophobicContact CB-CD1 3.93Å; A447-L507 HydrophobicContact CB-CD2 3.99Å
448A86Confident83.9Confident0 Ų044.4 Ų44.40%021%0.206CC..Hα-helixtrans-60.4-36.917800000112.9L376 H444 A452L376-A448 HydrophobicContact CD1-CB 3.81Å; H444-A448 VanDerWaalsContact O-CB 3.26Å; H444-A448 WeakPolarHBondContact O-CB 3.41Å; H444-A448 PolarHBondContact O-N 3.43Å; A448-A452 VanDerWaalsContact O-CB 3.25Å; A448-A452 WeakPolarHBondContact O-CB 3.33Å; A448-A452 PolarHBondContact O-N 3.02Å
449R88.2Confident85.2Confident110 Ų11043.3 Ų43.342%0.41520%0.199SC..Hα-helixtrans-67.4-49.9174.5-73.5176.4-164.9163.84.1112.1L376 T394 R445 R446 A447 L451 A452 D453L376-R449 HydrophobicContact CD2-CG 3.83Å; T394-R449 HydrophobicContact CG2-CG 4.38Å; R445-R449 WeakPolarHBondContact O-CG 3.13Å; R445-R449 PolarHBondContact O-N 2.99Å; R445-R449 VanDerWaalsContact O-N 3.15Å; R446-R449 PolarHBondContact O-N 3.36Å; A447-R449 VanDerWaalsContact C-N 3.3Å; A447-R449 PolarHBondContact O-N 3.31Å; R449-L451 VanDerWaalsContact C-N 3.29Å; R449-L451 PolarHBondContact O-N 2.78Å; R449-A452 PolarHBondContact O-N 3.4Å; R449-A452 VanDerWaalsContact O-N 3.17Å; R449-D453 VanDerWaalsContact O-CG 3.32Å; R449-D453 PolarHBondContact O-N 2.91Å
450L89.3Confident86.2Confident11 Ų1141.7 Ų41.76%0.05819%0.187CC..Hα-helixtrans-60.5-42.5179-71.6172.5000111.3R446 A447 D453 K454 V503 H506 L507R446-L450 HydrophobicContact CG-CD1 4.3Å; R446-L450 PolarHBondContact O-N 3.48Å; A447-L450 PolarHBondContact O-N 2.93Å; L450-D453 PolarHBondContact O-N 3.41Å; L450-K454 VanDerWaalsContact O-CG 3.31Å; L450-K454 WeakPolarHBondContact O-CG 3.48Å; L450-K454 PolarHBondContact O-N 2.84Å; L450-V503 HydrophobicContact CB-CG1 4.27Å; L450-H506 HydrophobicContact CD1-CB 3.95Å; L450-H506 HydrophobicContact CD2-CB 4.27Å; L450-L507 HydrophobicContact CD1-CD2 3.74Å; L450-L507 HydrophobicContact CD1-CG 3.8Å
451L89.9Confident87.3Confident5 Ų537.4 Ų37.43%0.02618%0.175CC..Hα-helixtrans-64.2-42.5176.3-169.2157.2000110.8L325 L326 L399 T403 A447 R449 D453 K454 S455L325-L451 HydrophobicContact CD2-CG 4.14Å; L326-L451 HydrophobicContact CD2-CD1 4.24Å; L326-L451 HydrophobicContact CD2-CD2 3.78Å; L326-L451 HydrophobicContact CD2-CG 4.4Å; L399-L451 HydrophobicContact CB-CD2 4.21Å; L399-L451 HydrophobicContact CD1-CD2 3.49Å; L399-L451 VanDerWaalsContact CD1-CD2 3.49Å; L399-L451 HydrophobicContact CD2-CD2 3.42Å; L399-L451 VanDerWaalsContact CD2-CD2 3.42Å; L399-L451 HydrophobicContact CG-CD2 3.87Å; T403-L451 HydrophobicContact CG2-CD1 3.98Å; A447-L451 WeakPolarHBondContact O-CB 3.28Å; A447-L451 PolarHBondContact O-N 2.98Å; R449-L451 VanDerWaalsContact C-N 3.29Å; R449-L451 PolarHBondContact O-N 2.78Å; L451-D453 PolarHBondContact O-N 3.46Å; L451-K454 PolarHBondContact O-N 2.93Å; L451-S455 VanDerWaalsContact O-CB 3.23Å; L451-S455 WeakPolarHBondContact O-CB 3.42Å; L451-S455 PolarHBondContact O-N 3.49Å; L451-S455 PolarHBondContact O-OG 2.84Å; L451-S455 VanDerWaalsContact O-OG 3.14Å
452A91.6Very high88Confident1 Ų133.8 Ų33.81%0.00816%0.156CC..Hα-helixtrans-63-40.217600000112.9L375 L376 L399 A448 R449 S455 V456L375-A452 HydrophobicContact CD2-CB 4.44Å; L376-A452 HydrophobicContact CB-CB 3.96Å; L376-A452 HydrophobicContact CD1-CB 4.31Å; L399-A452 HydrophobicContact CD1-CB 3.86Å; A448-A452 VanDerWaalsContact O-CB 3.25Å; A448-A452 WeakPolarHBondContact O-CB 3.33Å; A448-A452 PolarHBondContact O-N 3.02Å; R449-A452 PolarHBondContact O-N 3.4Å; R449-A452 VanDerWaalsContact O-N 3.17Å; A452-S455 VanDerWaalsContact CA-OG 3.32Å; A452-S455 WeakPolarHBondContact CA-OG 3.23Å; A452-S455 PolarHBondContact O-OG 3.26Å; A452-V456 WeakPolarHBondContact O-CG2 3.35Å; A452-V456 PolarHBondContact O-N 3.37Å
453D92.8Very high88.4Confident73 Ų7332.2 Ų32.239%0.3915%0.147SC..Hα-helixtrans-63.4-46177-67.4-27.9000110.9S372 R449 L450 L451 V456S372-D453 WeakPolarHBondContact CB-OD1 3.29Å; S372-D453 PolarHBondContact OG-OD1 2.96Å; R449-D453 VanDerWaalsContact O-CG 3.32Å; R449-D453 PolarHBondContact O-N 2.91Å; L450-D453 PolarHBondContact O-N 3.41Å; L451-D453 PolarHBondContact O-N 3.46Å; D453-V456 PolarHBondContact O-N 3.29Å
454K93.6Very high88.8Confident40 Ų4036.4 Ų36.417%0.17416%0.164CC..Hα-helixtrans-75-32.1-179.5-61.5-67.3-175.5174.50112.5L325 L450 L451 V456 L457 A458 L499 V503L325-K454 HydrophobicContact CD1-CB 3.86Å; L450-K454 VanDerWaalsContact O-CG 3.31Å; L450-K454 WeakPolarHBondContact O-CG 3.48Å; L450-K454 PolarHBondContact O-N 2.84Å; L451-K454 PolarHBondContact O-N 2.93Å; K454-V456 VanDerWaalsContact C-N 3.32Å; K454-V456 PolarHBondContact O-N 3.37Å; K454-L457 HydrophobicContact CD-CD1 4.17Å; K454-L457 WeakPolarHBondContact O-CB 3.07Å; K454-L457 PolarHBondContact O-N 2.87Å; K454-A458 PolarHBondContact O-N 3.04Å; K454-L499 HydrophobicContact CB-CB 4.46Å; K454-L499 HydrophobicContact CD-CD2 3.86Å; K454-V503 HydrophobicContact CB-CG2 3.82Å; K454-V503 HydrophobicContact CG-CG2 3.54Å
455S92.6Very high88.9Confident0 Ų038.1 Ų38.10%017%0.17CC..Hα-helixtrans-65.3-35.2174.466.20000111.8L375 L451 A452 L457 A458 C459L375-S455 WeakPolarHBondContact CD1-OG 3.25Å; L375-S455 WeakPolarHBondContact CD2-OG 3.32Å; L451-S455 VanDerWaalsContact O-CB 3.23Å; L451-S455 WeakPolarHBondContact O-CB 3.42Å; L451-S455 PolarHBondContact O-N 3.49Å; L451-S455 PolarHBondContact O-OG 2.84Å; L451-S455 VanDerWaalsContact O-OG 3.14Å; A452-S455 VanDerWaalsContact CA-OG 3.32Å; A452-S455 WeakPolarHBondContact CA-OG 3.23Å; A452-S455 PolarHBondContact O-OG 3.26Å; S455-L457 VanDerWaalsContact C-N 3.31Å; S455-L457 PolarHBondContact O-N 3.19Å; S455-A458 PolarHBondContact O-N 3.46Å; S455-C459 WeakPolarHBondContact O-CB 3.35Å; S455-C459 PolarHBondContact O-N 3.1Å; S455-C459 PolarHBondContact O-SG 3.41Å
456V94.2Very high88.3Confident6 Ų640 Ų404%0.03618%0.181CC..Hα-helixtrans-61.4-41.8173.11700000111.1L375 A452 D453 K454 C459 R460L375-V456 HydrophobicContact CB-CG2 4.29Å; L375-V456 HydrophobicContact CD1-CG2 3.67Å; A452-V456 WeakPolarHBondContact O-CG2 3.35Å; A452-V456 PolarHBondContact O-N 3.37Å; D453-V456 PolarHBondContact O-N 3.29Å; K454-V456 VanDerWaalsContact C-N 3.32Å; K454-V456 PolarHBondContact O-N 3.37Å; V456-C459 PolarHBondContact O-N 3Å; V456-R460 VanDerWaalsContact CG1-CZ 3.46Å; V456-R460 WeakPolarHBondContact O-CB 3.38Å; V456-R460 VanDerWaalsContact O-CG 3.28Å; V456-R460 WeakPolarHBondContact O-CG 3.06Å; V456-R460 PolarHBondContact O-N 3.12Å
457L93.2Very high87.5Confident68 Ų6842.6 Ų42.636%0.35620%0.197SC..Hα-helixtrans-64-43176-62.1178.1000111.6K454 S455 R460 A461 L499K454-L457 HydrophobicContact CD-CD1 4.17Å; K454-L457 WeakPolarHBondContact O-CB 3.07Å; K454-L457 PolarHBondContact O-N 2.87Å; S455-L457 VanDerWaalsContact C-N 3.31Å; S455-L457 PolarHBondContact O-N 3.19Å; L457-R460 PolarHBondContact O-N 2.97Å; L457-A461 WeakPolarHBondContact O-CB 3.05Å; L457-A461 PolarHBondContact O-N 3.45Å; L457-L499 HydrophobicContact CB-CD1 4.19Å; L457-L499 HydrophobicContact CD1-CD2 4.28Å
458A93Very high86.4Confident0 Ų045.7 Ų45.70%021%0.213CC..Hα-helixtrans-63-47176.300000112N321 L322 L325 K454 S455 R460 A461 D462 L499N321-A458 HydrophobicContact CB-CB 4.3Å; L322-A458 HydrophobicContact CB-CB 4.36Å; L322-A458 HydrophobicContact CD1-CB 4.5Å; L325-A458 HydrophobicContact CD1-CB 3.94Å; K454-A458 PolarHBondContact O-N 3.04Å; S455-A458 PolarHBondContact O-N 3.46Å; A458-R460 VanDerWaalsContact C-N 3.31Å; A458-R460 PolarHBondContact O-N 2.87Å; A458-A461 PolarHBondContact O-N 2.94Å; A458-D462 PolarHBondContact O-N 3.25Å; A458-L499 HydrophobicContact CB-CD1 3.93Å
459C92.6Very high85Confident0 Ų050.4 Ų50.40%024%0.243CC..Hα-helixtrans-58.2-42.4176.5-680000112.2A368 S455 V456 C463A368-C459 HydrophobicContact CB-CB 4.44Å; S455-C459 WeakPolarHBondContact O-CB 3.35Å; S455-C459 PolarHBondContact O-N 3.1Å; S455-C459 PolarHBondContact O-SG 3.41Å; V456-C459 PolarHBondContact O-N 3Å; C459-C463 WeakPolarHBondContact O-CB 3.38Å; C459-C463 PolarHBondContact O-N 3.23Å
460R91.9Very high83.3Confident107 Ų10750 Ų5040%0.40425%0.248SC..Hα-helixtrans-68.7-40.5179.1-72.9173.4-177.2177.11.5111.7A368 V456 L457 A458 D462 C463 F464A368-R460 HydrophobicContact CB-CG 4.32Å; A368-R460 WeakPolarHBondContact O-CG 3.28Å; A368-R460 PolarHBondContact O-NE 3.48Å; A368-R460 VanDerWaalsContact O-NE 3.15Å; V456-R460 VanDerWaalsContact CG1-CZ 3.46Å; V456-R460 WeakPolarHBondContact O-CB 3.38Å; V456-R460 VanDerWaalsContact O-CG 3.28Å; V456-R460 WeakPolarHBondContact O-CG 3.06Å; V456-R460 PolarHBondContact O-N 3.12Å; L457-R460 PolarHBondContact O-N 2.97Å; A458-R460 VanDerWaalsContact C-N 3.31Å; A458-R460 PolarHBondContact O-N 2.87Å; R460-D462 VanDerWaalsContact C-N 3.34Å; R460-C463 PolarHBondContact O-N 3.29Å; R460-F464 HydrophobicContact CB-CD2 4.32Å; R460-F464 HydrophobicContact CG-CE2 4.5Å; R460-F464 WeakPolarHBondContact O-CB 3.36Å; R460-F464 WeakPolarHBondContact O-CD2 3.21Å; R460-F464 PolarHBondContact O-N 3.09Å
461A89.4Confident81.5Confident19 Ų1959.1 Ų59.116%0.15728%0.284CS..Hα-helixtrans-63.3-41.3176.400000111.8L457 A458 R465 L490 Y495L457-A461 WeakPolarHBondContact O-CB 3.05Å; L457-A461 PolarHBondContact O-N 3.45Å; A458-A461 PolarHBondContact O-N 2.94Å; A461-R465 WeakPolarHBondContact O-CB 3.45Å; A461-R465 PolarHBondContact O-N 3.46Å; A461-L490 HydrophobicContact CB-CD2 3.93Å; A461-Y495 HydrophobicContact CB-CD1 3.79Å; A461-Y495 HydrophobicContact CB-CE1 3.64Å
462D89.2Confident79.5Confident16 Ų1666.6 Ų66.69%0.08632%0.318CS..Hα-helixtrans-67.9-46.1175-75.5-25.4000111.9C319 P320 N321 L322 F364 A458 R460C319-D462 WeakPolarHBondContact CA-OD2 3.41Å; P320-D462 WeakPolarHBondContact CD-OD1 3.31Å; N321-D462 WeakPolarHBondContact CB-OD1 3.44Å; N321-D462 PolarHBondContact N-OD1 3.36Å; N321-D462 VanDerWaalsContact N-OD1 3.09Å; N321-D462 PolarHBondContact N-OD2 3.13Å; N321-D462 PolarHBondContact ND2-OD1 2.93Å; L322-D462 PolarHBondContact N-OD2 3.04Å; F364-D462 HydrophobicContact CE1-CB 3.96Å; F364-D462 HydrophobicContact CZ-CB 3.66Å; A458-D462 PolarHBondContact O-N 3.25Å; R460-D462 VanDerWaalsContact C-N 3.34Å
463C87.2Confident77.2Confident22 Ų2274.2 Ų74.215%0.14935%0.354CS..Hα-helixtrans-70-39-175.1-175.10000113.4F364 N365 A368 C459 R460F364-C463 HydrophobicContact CD1-CB 4.04Å; F364-C463 HydrophobicContact CE1-CB 3.62Å; F364-C463 HydrophobicContact CZ-CB 4.38Å; N365-C463 PolarHBondContact OD1-SG 2.9Å; A368-C463 HydrophobicContact CB-CB 3.7Å; C459-C463 WeakPolarHBondContact O-CB 3.38Å; C459-C463 PolarHBondContact O-N 3.23Å; R460-C463 PolarHBondContact O-N 3.29Å
464F84.7Confident74.5Confident95 Ų9580.2 Ų80.242%0.41738%0.379SS..THydrogen-bonded Turntrans-106.518.2-173.2-59.9-68.1000113.3A368 R460 Q466 H467A368-F464 HydrophobicContact CB-CE2 4.11Å; R460-F464 HydrophobicContact CB-CD2 4.32Å; R460-F464 HydrophobicContact CG-CE2 4.5Å; R460-F464 WeakPolarHBondContact O-CB 3.36Å; R460-F464 WeakPolarHBondContact O-CD2 3.21Å; R460-F464 PolarHBondContact O-N 3.09Å; F464-Q466 PolarHBondContact O-N 3.47Å; F464-H467 HydrophobicContact CB-CB 4.3Å; F464-H467 AromaticContact CD1-CD2 3.71Å; F464-H467 PolarHBondContact O-N 3.1Å
465R77.9Confident71.9Confident59 Ų5981.1 Ų81.122%0.22340%0.4CS..G310 helixtrans-51.9-40.4-178.3-179.4171.9147.7-162.6-13.5113.7A461 E486 L490A461-R465 WeakPolarHBondContact O-CB 3.45Å; A461-R465 PolarHBondContact O-N 3.46Å; R465-E486 IonicContact CZ-OE2 3.72Å; R465-E486 VanDerWaalsContact CZ-OE2 3.28Å; R465-E486 IonicContact NE-OE2 3.36Å; R465-E486 PolarHBondContact NE-OE2 3.49Å; R465-E486 IonicContact NH2-OE2 2.57Å; R465-E486 PolarHBondContact NH2-OE2 2.97Å; R465-L490 HydrophobicContact CG-CB 4.36Å
466Q67.9Low69.3Low111 Ų11189.6 Ų89.652%0.51944%0.444SS..G310 helixtrans-86.1-7.3-179.1-68.3179.7-21.800113.9F464 N468F464-Q466 PolarHBondContact O-N 3.47Å; Q466-N468 VanDerWaalsContact C-N 3.33Å
467H68.5Low66.7Low145 Ų14593.7 Ų93.767%0.67148%0.479SS*.G310 helixtrans-89.64.2-179.6-75.3-77.2000113.5F464F464-H467 HydrophobicContact CB-CB 4.3Å; F464-H467 AromaticContact CD1-CD2 3.71Å; F464-H467 PolarHBondContact O-N 3.1Å
468N61Low64Low72 Ų7295.9 Ų95.939%0.38550%0.5SS..SBendtrans-61.5132.7176.4-73.9-24.1000109.9Q466Q466-N468 VanDerWaalsContact C-N 3.33Å
469P56.4Low61.6Low98 Ų98104.1 Ų104.164%0.63654%0.538SS*.  trans-60.9141.7-179.625-33000110.4Y471P469-Y471 PolarHBondContact O-N 2.88Å
470I53.6Low58.8Low101 Ų101109.7 Ų109.752%0.51858%0.575SS.*  trans-60.7105.7172-60159.4000107Q472 V482I470-Q472 PolarHBondContact O-N 3.18Å; I470-Q472 VanDerWaalsContact O-N 3.12Å; I470-V482 HydrophobicContact CD1-CG1 3.7Å; I470-V482 HydrophobicContact CG1-CG1 4.21Å; I470-V482 HydrophobicContact CG2-CG1 4.23Å
471Y50.5Low56.2Low204 Ų204109.5 Ų109.580%0.859%0.588SS**  trans-71.6104.2164.4-88.2-84.8000107.4P469 Q473P469-Y471 PolarHBondContact O-N 2.88Å; Y471-Q473 VanDerWaalsContact C-N 3.32Å; Y471-Q473 PolarHBondContact O-N 3.35Å
472Q47.1Very low54.2Low162 Ų162113.5 Ų113.576%0.75761%0.61SS**  trans-6795.8162.5-118.4175.9-4.400106.8I470 Q474I470-Q472 PolarHBondContact O-N 3.18Å; I470-Q472 VanDerWaalsContact O-N 3.12Å; Q472-Q474 PolarHBondContact O-N 2.66Å; Q472-Q474 VanDerWaalsContact O-N 3.1Å
473Q44.9Very low52.2Low160 Ų160116.1 Ų116.175%0.74863%0.63SS**  trans-65.3110.4164.5-78.2-173.6-7.500107.3Y471 G475Y471-Q473 VanDerWaalsContact C-N 3.32Å; Y471-Q473 PolarHBondContact O-N 3.35Å; Q473-G475 PolarHBondContact O-N 3.14Å
474Q36.3Very low50.6Low200 Ų200118.3 Ų118.394%0.93564%0.643SS**  trans-71.283162.3-71.9-179.2-600107.4Q472Q472-Q474 PolarHBondContact O-N 2.66Å; Q472-Q474 VanDerWaalsContact O-N 3.1Å
475G38.4Very low49.1Very low58 Ų58120.9 Ų120.960%0.59866%0.658SS**  trans-129.4128174.400000109.2Q473Q473-G475 PolarHBondContact O-N 3.14Å
476L37.6Very low48.3Very low178 Ų178120.2 Ų120.293%0.93266%0.657SS**SBendtrans-28.8134.1-173.1-6699.8000118
477A39.5Very low48.5Very low92 Ų92118.7 Ų118.776%0.7665%0.653SS**SBendtrans69.2114.9154.100000119.4
478S37.5Very low48.8Very low115 Ų115117.4 Ų117.480%0.80465%0.647SS**SBendtrans62.1116.5156.459.90000119
479Q41.9Very low49.7Very low173 Ų173122.1 Ų122.181%0.80866%0.659SS**  trans80.6112.4175.1-59.8-173.6-6.800115.9C481Q479-C481 VanDerWaalsContact C-N 3.25Å; Q479-C481 PolarHBondContact O-N 3.03Å
480P34.1Very low50.8Low117 Ų117118.5 Ų118.576%0.7664%0.635SS**  trans-71.286.5165.930.8-30.2000108.1V482P480-V482 PolarHBondContact O-N 2.73Å; P480-V482 VanDerWaalsContact O-N 3.15Å
481C37.7Very low52.1Low103 Ų103117.2 Ų117.270%0.69663%0.625SS**  trans-72.8103.8165.657.60000107.8Q479 S483Q479-C481 VanDerWaalsContact C-N 3.25Å; Q479-C481 PolarHBondContact O-N 3.03Å; C481-S483 PolarHBondContact O-N 3.42Å
482V46.2Very low53.6Low102 Ų102111.4 Ų111.462%0.61861%0.614SS**  trans-75.874.9172.7-176.50000107.7I470 P480I470-V482 HydrophobicContact CD1-CG1 3.7Å; I470-V482 HydrophobicContact CG1-CG1 4.21Å; I470-V482 HydrophobicContact CG2-CG1 4.23Å; P480-V482 PolarHBondContact O-N 2.73Å; P480-V482 VanDerWaalsContact O-N 3.15Å
483S48.1Very low55.4Low72 Ų72103.8 Ų103.850%0.50358%0.579SS.*  trans-91.4112168.360.80000108.3C481 M485C481-S483 PolarHBondContact O-N 3.42Å; S483-M485 VanDerWaalsContact C-N 3.27Å; S483-M485 PolarHBondContact O-N 3.39Å
484V53.6Low57.5Low68 Ų6898 Ų9841%0.41256%0.558SS.*  trans-61.496.8162.6179.60000106.1E486V484-E486 VanDerWaalsContact C-N 3.26Å; V484-E486 HydrophobicContact CG1-CG 4.24Å; V484-E486 PolarHBondContact O-N 2.91Å
485M52.9Low60.1Low149 Ų14991.7 Ų91.773%0.73453%0.526SS*.  trans-69.891.3173.6-71.2-165.776.200107.6S483 D487S483-M485 VanDerWaalsContact C-N 3.27Å; S483-M485 PolarHBondContact O-N 3.39Å; M485-D487 PolarHBondContact O-N 3.5Å
486E61.2Low62.6Low45 Ų4588.9 Ų88.921%0.2150%0.498CS..  trans-66.7123168.1-64.8-171-172.900108.5R465 V484 E488 K491R465-E486 IonicContact CZ-OE2 3.72Å; R465-E486 VanDerWaalsContact CZ-OE2 3.28Å; R465-E486 IonicContact NE-OE2 3.36Å; R465-E486 PolarHBondContact NE-OE2 3.49Å; R465-E486 IonicContact NH2-OE2 2.57Å; R465-E486 PolarHBondContact NH2-OE2 2.97Å; V484-E486 VanDerWaalsContact C-N 3.26Å; V484-E486 HydrophobicContact CG1-CG 4.24Å; V484-E486 PolarHBondContact O-N 2.91Å; E486-E488 PolarHBondContact O-N 2.98Å; E486-E488 VanDerWaalsContact O-N 3.12Å; E486-K491 VanDerWaalsContact CB-CE 3.47Å; E486-K491 WeakPolarHBondContact OE2-CE 3.45Å; E486-K491 IonicContact OE2-NZ 3.77Å
487D71.4Confident65.1Low78 Ų7885 Ų8542%0.41748%0.475SS..  trans-61.2116.5175.6-168.5-10.2000109.4M485 R489 L490M485-D487 PolarHBondContact O-N 3.5Å; D487-R489 PolarHBondContact O-N 3.26Å; D487-R489 WeakPolarHBondContact OD1-CG 3.35Å; D487-R489 PolarHBondContact OD1-N 3.01Å; D487-L490 HydrophobicContact CB-CD1 4.22Å; D487-L490 HydrophobicContact CB-CG 4.23Å; D487-L490 WeakPolarHBondContact O-CB 3.31Å; D487-L490 PolarHBondContact O-N 3.12Å
488E76.1Confident67.6Low118 Ų11887.8 Ų87.855%0.55147%0.467SS*.Hα-helixtrans-57.1-25.5-177.1-74.1-60.314500112.5E486 L490 K491 S492E486-E488 PolarHBondContact O-N 2.98Å; E486-E488 VanDerWaalsContact O-N 3.12Å; E488-L490 PolarHBondContact O-N 3.26Å; E488-K491 PolarHBondContact O-N 3.21Å; E488-K491 IonicContact OE1-NZ 2.75Å; E488-K491 PolarHBondContact OE1-NZ 2.82Å; E488-S492 PolarHBondContact O-N 3.1Å; E488-S492 VanDerWaalsContact O-N 3.14Å; E488-S492 PolarHBondContact O-OG 2.9Å
489R79.7Confident70.1Confident172 Ų17282.5 Ų82.565%0.64943%0.43SS*.Hα-helixtrans-62.5-30.5174.5-64.6175.3176176.80.4113.1D487 S492 A494 Y495D487-R489 PolarHBondContact O-N 3.26Å; D487-R489 WeakPolarHBondContact OD1-CG 3.35Å; D487-R489 PolarHBondContact OD1-N 3.01Å; R489-S492 PolarHBondContact O-OG 3.26Å; R489-A494 HydrophobicContact CB-CB 4.43Å; R489-A494 PolarHBondContact O-N 2.96Å; R489-Y495 PolarHBondContact O-N 3Å
490L79.6Confident72.3Confident22 Ų2274.3 Ų74.312%0.11539%0.391CS..Hα-helixtrans-80.2-28.2178.7-63.9178.8000112N321 A461 R465 D487 E488 Y495N321-L490 PolarHBondContact ND2-O 2.65Å; A461-L490 HydrophobicContact CB-CD2 3.93Å; R465-L490 HydrophobicContact CG-CB 4.36Å; D487-L490 HydrophobicContact CB-CD1 4.22Å; D487-L490 HydrophobicContact CB-CG 4.23Å; D487-L490 WeakPolarHBondContact O-CB 3.31Å; D487-L490 PolarHBondContact O-N 3.12Å; E488-L490 PolarHBondContact O-N 3.26Å; L490-Y495 HydrophobicContact CD2-CD1 3.95Å; L490-Y495 HydrophobicContact CD2-CG 4.02Å
491K80Confident74.9Confident74 Ų7475.1 Ų75.132%0.32238%0.383SS..Hα-helixtrans-76.1-42.8177.6-37-163.7164.9143.60112.7E486 E488 G493E486-K491 VanDerWaalsContact CB-CE 3.47Å; E486-K491 WeakPolarHBondContact OE2-CE 3.45Å; E486-K491 IonicContact OE2-NZ 3.77Å; E488-K491 PolarHBondContact O-N 3.21Å; E488-K491 IonicContact OE1-NZ 2.75Å; E488-K491 PolarHBondContact OE1-NZ 2.82Å; K491-G493 VanDerWaalsContact C-N 3.29Å; K491-G493 PolarHBondContact O-N 3.47Å
492S82.1Confident77.4Confident82 Ų8270.8 Ų70.857%0.57335%0.353SS*.THydrogen-bonded Turntrans-74.7-16-17552.80000113.9E488 R489 A494E488-S492 PolarHBondContact O-N 3.1Å; E488-S492 VanDerWaalsContact O-N 3.14Å; E488-S492 PolarHBondContact O-OG 2.9Å; R489-S492 PolarHBondContact O-OG 3.26Å; S492-A494 VanDerWaalsContact C-N 3.3Å; S492-A494 WeakPolarHBondContact OG-CB 3.35Å; S492-A494 PolarHBondContact OG-N 2.88Å
493G84.9Confident79.3Confident1 Ų166.1 Ų66.11%0.0133%0.325CS..THydrogen-bonded Turntrans83.93.9-17100000113.7N321 A324 K491 Y495 G496 Q497N321-G493 VanDerWaalsContact OD1-CA 3.27Å; N321-G493 WeakPolarHBondContact OD1-CA 3.12Å; A324-G493 WeakPolarHBondContact CB-O 3.45Å; K491-G493 VanDerWaalsContact C-N 3.29Å; K491-G493 PolarHBondContact O-N 3.47Å; G493-Y495 VanDerWaalsContact C-N 3.27Å; G493-Y495 PolarHBondContact O-N 3.15Å; G493-G496 WeakPolarHBondContact O-CA 3.39Å; G493-G496 PolarHBondContact O-N 3.09Å; G493-Q497 PolarHBondContact O-N 3.41Å
494A88.7Confident81.1Confident38 Ų3864.3 Ų64.331%0.31431%0.309SS..Hα-helixtrans-60.2-36.2-179.300000112.4R489 S492 G496 Q497 Y498R489-A494 HydrophobicContact CB-CB 4.43Å; R489-A494 PolarHBondContact O-N 2.96Å; S492-A494 VanDerWaalsContact C-N 3.3Å; S492-A494 WeakPolarHBondContact OG-CB 3.35Å; S492-A494 PolarHBondContact OG-N 2.88Å; A494-G496 VanDerWaalsContact C-N 3.33Å; A494-Q497 PolarHBondContact O-N 2.86Å; A494-Y498 PolarHBondContact O-N 3.06Å
495Y91.4Very high82.6Confident68 Ų6866.5 Ų66.527%0.26731%0.314SS..Hα-helixtrans-63.3-40.4173.3177.9-113.1000111.8N321 A461 R489 L490 G493 Q497 Y498 L499N321-Y495 HydrophobicContact CB-CD1 4.49Å; N321-Y495 WeakPolarHBondContact OD1-CB 3.39Å; A461-Y495 HydrophobicContact CB-CD1 3.79Å; A461-Y495 HydrophobicContact CB-CE1 3.64Å; R489-Y495 PolarHBondContact O-N 3Å; L490-Y495 HydrophobicContact CD2-CD1 3.95Å; L490-Y495 HydrophobicContact CD2-CG 4.02Å; G493-Y495 VanDerWaalsContact C-N 3.27Å; G493-Y495 PolarHBondContact O-N 3.15Å; Y495-Q497 PolarHBondContact O-N 2.92Å; Y495-Y498 HydrophobicContact CD2-CD1 4.43Å; Y495-Y498 HydrophobicContact CE2-CD1 4.48Å; Y495-Y498 PolarHBondContact O-N 3.44Å; Y495-L499 HydrophobicContact CD1-CD1 3.94Å; Y495-L499 HydrophobicContact CD1-CG 4.48Å; Y495-L499 HydrophobicContact CE1-CD1 3.47Å; Y495-L499 VanDerWaalsContact CE1-CD1 3.47Å; Y495-L499 HydrophobicContact CE1-CG 4.13Å; Y495-L499 HydrophobicContact CE2-CD1 4.4Å; Y495-L499 HydrophobicContact CE2-CD2 4.2Å; Y495-L499 HydrophobicContact CE2-CG 4.18Å; Y495-L499 WeakPolarHBondContact O-CG 3.38Å; Y495-L499 PolarHBondContact O-N 3.01Å
496G90.6Very high84.3Confident0 Ų062.8 Ų62.80%030%0.295CS..Hα-helixtrans-58.2-44.2171.600000113.5N321 L325 G493 A494 L499 G500N321-G496 WeakPolarHBondContact O-CA 3.44Å; N321-G496 PolarHBondContact OD1-N 3.31Å; N321-G496 VanDerWaalsContact OD1-N 3.13Å; L325-G496 WeakPolarHBondContact CA-O 3.36Å; G493-G496 WeakPolarHBondContact O-CA 3.39Å; G493-G496 PolarHBondContact O-N 3.09Å; A494-G496 VanDerWaalsContact C-N 3.33Å; G496-L499 PolarHBondContact O-N 2.95Å; G496-G500 PolarHBondContact O-N 2.84Å
497Q89.8Confident85.4Confident96 Ų9661.2 Ų61.245%0.44929%0.288SS..Hα-helixtrans-63.6-43.4175.9-61.7-178-3.400112A324 G493 A494 Y495 L499 G500 K501A324-Q497 HydrophobicContact CB-CG 3.94Å; G493-Q497 PolarHBondContact O-N 3.41Å; A494-Q497 PolarHBondContact O-N 2.86Å; Y495-Q497 PolarHBondContact O-N 2.92Å; Q497-L499 PolarHBondContact O-N 2.91Å; Q497-G500 PolarHBondContact O-N 2.78Å; Q497-G500 VanDerWaalsContact O-N 3.16Å; Q497-K501 PolarHBondContact O-N 2.93Å
498Y91.9Very high85.8Confident151 Ų15160.3 Ų60.359%0.59228%0.278SS*.Hα-helixtrans-57.6-48.7174.6170.4-102.9000111.3A494 Y495 G500 K501 T502A494-Y498 PolarHBondContact O-N 3.06Å; Y495-Y498 HydrophobicContact CD2-CD1 4.43Å; Y495-Y498 HydrophobicContact CE2-CD1 4.48Å; Y495-Y498 PolarHBondContact O-N 3.44Å; Y498-G500 VanDerWaalsContact C-N 3.27Å; Y498-G500 PolarHBondContact O-N 2.94Å; Y498-K501 PolarHBondContact O-N 3.11Å; Y498-T502 PolarHBondContact O-N 3.47Å; Y498-T502 PolarHBondContact O-OG1 2.96Å
499L91.4Very high86.2Confident4 Ų458.8 Ų58.82%0.02127%0.273CS..Hα-helixtrans-59.5-39.2175.9-69.1175.1000111.8L325 K454 L457 A458 Y495 G496 Q497 T502 V503L325-L499 HydrophobicContact CD1-CB 3.79Å; L325-L499 HydrophobicContact CD1-CD1 4.09Å; L325-L499 HydrophobicContact CG-CB 4.42Å; K454-L499 HydrophobicContact CB-CB 4.46Å; K454-L499 HydrophobicContact CD-CD2 3.86Å; L457-L499 HydrophobicContact CB-CD1 4.19Å; L457-L499 HydrophobicContact CD1-CD2 4.28Å; A458-L499 HydrophobicContact CB-CD1 3.93Å; Y495-L499 HydrophobicContact CD1-CD1 3.94Å; Y495-L499 HydrophobicContact CD1-CG 4.48Å; Y495-L499 HydrophobicContact CE1-CD1 3.47Å; Y495-L499 VanDerWaalsContact CE1-CD1 3.47Å; Y495-L499 HydrophobicContact CE1-CG 4.13Å; Y495-L499 HydrophobicContact CE2-CD1 4.4Å; Y495-L499 HydrophobicContact CE2-CD2 4.2Å; Y495-L499 HydrophobicContact CE2-CG 4.18Å; Y495-L499 WeakPolarHBondContact O-CG 3.38Å; Y495-L499 PolarHBondContact O-N 3.01Å; G496-L499 PolarHBondContact O-N 2.95Å; Q497-L499 PolarHBondContact O-N 2.91Å; L499-T502 PolarHBondContact O-N 3.42Å; L499-V503 WeakPolarHBondContact O-CG2 3.34Å; L499-V503 PolarHBondContact O-N 3.09Å
500G87.5Confident86.5Confident0 Ų052.6 Ų52.60%025%0.25CC..Hα-helixtrans-58.6-48.3174.100000112.7G496 Q497 Y498 T502 V503 Q504G496-G500 PolarHBondContact O-N 2.84Å; Q497-G500 PolarHBondContact O-N 2.78Å; Q497-G500 VanDerWaalsContact O-N 3.16Å; Y498-G500 VanDerWaalsContact C-N 3.27Å; Y498-G500 PolarHBondContact O-N 2.94Å; G500-T502 PolarHBondContact O-N 3.48Å; G500-V503 WeakPolarHBondContact O-CB 3.19Å; G500-V503 PolarHBondContact O-N 3.06Å; G500-V503 VanDerWaalsContact O-N 3.16Å; G500-Q504 PolarHBondContact O-N 3.02Å; G500-Q504 VanDerWaalsContact O-N 3.14Å
501K88Confident86.4Confident135 Ų13551.5 Ų51.559%0.58724%0.244SC*.Hα-helixtrans-60.8-42.2174.6-69-178.4179.7-177.50111.8Q497 Y498 V503 Q504 E505Q497-K501 PolarHBondContact O-N 2.93Å; Y498-K501 PolarHBondContact O-N 3.11Å; K501-V503 VanDerWaalsContact C-N 3.31Å; K501-V503 PolarHBondContact O-N 3.4Å; K501-Q504 WeakPolarHBondContact O-CB 3.05Å; K501-Q504 PolarHBondContact O-N 3.44Å; K501-Q504 VanDerWaalsContact O-N 3.17Å; K501-E505 WeakPolarHBondContact O-CB 3.32Å; K501-E505 PolarHBondContact O-N 3.4Å
502T90.2Very high86.2Confident11 Ų1150.4 Ų50.47%0.06724%0.24CC..Hα-helixtrans-61.8-36.6175.1-49.80000112.3Y498 L499 G500 E505 H506Y498-T502 PolarHBondContact O-N 3.47Å; Y498-T502 PolarHBondContact O-OG1 2.96Å; L499-T502 PolarHBondContact O-N 3.42Å; G500-T502 PolarHBondContact O-N 3.48Å; T502-E505 PolarHBondContact O-N 3.22Å; T502-H506 WeakPolarHBondContact CG2-NE2 3.37Å; T502-H506 VanDerWaalsContact O-CB 3.3Å; T502-H506 WeakPolarHBondContact O-CB 3.48Å; T502-H506 PolarHBondContact O-CD2 3.22Å; T502-H506 VanDerWaalsContact O-CD2 3.29Å; T502-H506 PolarHBondContact O-N 2.78Å
503V87.5Confident86.2Confident4 Ų455.1 Ų55.12%0.02425%0.251CS..Hα-helixtrans-62.4-45.7174.4173.10000110.5T329 L450 K454 L499 G500 K501 H506 L507T329-V503 HydrophobicContact CG2-CB 4.25Å; T329-V503 HydrophobicContact CG2-CG1 4.3Å; L450-V503 HydrophobicContact CB-CG1 4.27Å; K454-V503 HydrophobicContact CB-CG2 3.82Å; K454-V503 HydrophobicContact CG-CG2 3.54Å; L499-V503 WeakPolarHBondContact O-CG2 3.34Å; L499-V503 PolarHBondContact O-N 3.09Å; G500-V503 WeakPolarHBondContact O-CB 3.19Å; G500-V503 PolarHBondContact O-N 3.06Å; G500-V503 VanDerWaalsContact O-N 3.16Å; K501-V503 VanDerWaalsContact C-N 3.31Å; K501-V503 PolarHBondContact O-N 3.4Å; V503-H506 PolarHBondContact O-N 3.01Å; V503-L507 HydrophobicContact CG1-CD1 4.01Å; V503-L507 WeakPolarHBondContact O-CB 3.33Å; V503-L507 WeakPolarHBondContact O-CG 3.22Å; V503-L507 PolarHBondContact O-N 3.22Å
504Q84.1Confident85.7Confident35 Ų3558.4 Ų58.416%0.16427%0.268CS..Hα-helixtrans-62.7-44.7178.4-66.9171.7-1500111.2C328 S424 G500 K501 L507 R508C328-Q504 PolarHBondContact O-NE2 2.94Å; C328-Q504 VanDerWaalsContact O-NE2 3.09Å; S424-Q504 VanDerWaalsContact CB-OE1 3.23Å; G500-Q504 PolarHBondContact O-N 3.02Å; G500-Q504 VanDerWaalsContact O-N 3.14Å; K501-Q504 WeakPolarHBondContact O-CB 3.05Å; K501-Q504 PolarHBondContact O-N 3.44Å; K501-Q504 VanDerWaalsContact O-N 3.17Å; Q504-L507 WeakPolarHBondContact O-CB 3.31Å; Q504-L507 PolarHBondContact O-N 3.23Å; Q504-R508 PolarHBondContact O-N 3.5Å
505E85.9Confident84.7Confident114 Ų11457 Ų5753%0.53326%0.258SS..Hα-helixtrans-62-46.3175.7-174.6-179.9-173.800112K501 T502 L507 R508 I509K501-E505 WeakPolarHBondContact O-CB 3.32Å; K501-E505 PolarHBondContact O-N 3.4Å; T502-E505 PolarHBondContact O-N 3.22Å; E505-L507 VanDerWaalsContact C-N 3.26Å; E505-L507 PolarHBondContact O-N 3.26Å; E505-R508 CarbonylContact O-C 3.4Å; E505-R508 WeakPolarHBondContact O-CA 3.42Å; E505-R508 WeakPolarHBondContact O-CB 3.36Å; E505-R508 PolarHBondContact O-N 2.89Å; E505-R508 VanDerWaalsContact O-N 3.11Å; E505-I509 HydrophobicContact CG-CD1 3.97Å; E505-I509 HydrophobicContact CG-CG1 4.47Å; E505-I509 WeakPolarHBondContact O-CG1 3.43Å; E505-I509 PolarHBondContact O-N 3.47Å
506H88.9Confident83.5Confident70 Ų7054.1 Ų54.132%0.32425%0.247SC..Hα-helixtrans-62.4-34.8176.5-75.5-166.2000112.5L450 T502 V503 W510L450-H506 HydrophobicContact CD1-CB 3.95Å; L450-H506 HydrophobicContact CD2-CB 4.27Å; T502-H506 WeakPolarHBondContact CG2-NE2 3.37Å; T502-H506 VanDerWaalsContact O-CB 3.3Å; T502-H506 WeakPolarHBondContact O-CB 3.48Å; T502-H506 PolarHBondContact O-CD2 3.22Å; T502-H506 VanDerWaalsContact O-CD2 3.29Å; T502-H506 PolarHBondContact O-N 2.78Å; V503-H506 PolarHBondContact O-N 3.01Å; H506-W510 VanDerWaalsContact O-CB 3.23Å; H506-W510 WeakPolarHBondContact O-CB 3.43Å; H506-W510 PolarHBondContact O-N 2.8Å
507L83.3Confident82.4Confident12 Ų1256.6 Ų56.66%0.06326%0.258CS..Hα-helixtrans-68.4-41.1173.4-78.8172000111.5L430 R446 A447 L450 V503 Q504 E505 W510 A511L430-L507 HydrophobicContact CD1-CB 4.09Å; R446-L507 HydrophobicContact CG-CD2 4.28Å; A447-L507 HydrophobicContact CB-CD1 3.93Å; A447-L507 HydrophobicContact CB-CD2 3.99Å; L450-L507 HydrophobicContact CD1-CD2 3.74Å; L450-L507 HydrophobicContact CD1-CG 3.8Å; V503-L507 HydrophobicContact CG1-CD1 4.01Å; V503-L507 WeakPolarHBondContact O-CB 3.33Å; V503-L507 WeakPolarHBondContact O-CG 3.22Å; V503-L507 PolarHBondContact O-N 3.22Å; Q504-L507 WeakPolarHBondContact O-CB 3.31Å; Q504-L507 PolarHBondContact O-N 3.23Å; E505-L507 VanDerWaalsContact C-N 3.26Å; E505-L507 PolarHBondContact O-N 3.26Å; L507-W510 PolarHBondContact O-N 2.88Å; L507-A511 WeakPolarHBondContact O-CB 3.45Å; L507-A511 PolarHBondContact O-N 3.43Å
508R79.4Confident81.1Confident59 Ų5953.9 Ų53.922%0.22325%0.248CC..Hα-helixtrans-59.9-54.1172.6170.8173.1-177172.95.9111.8I425 Q504 E505 W510 A511 E512 D519I425-R508 HydrophobicContact CD1-CB 3.87Å; I425-R508 HydrophobicContact CD1-CG 3.54Å; I425-R508 HydrophobicContact CG1-CB 4.41Å; I425-R508 HydrophobicContact CG1-CG 4.36Å; Q504-R508 PolarHBondContact O-N 3.5Å; E505-R508 CarbonylContact O-C 3.4Å; E505-R508 WeakPolarHBondContact O-CA 3.42Å; E505-R508 WeakPolarHBondContact O-CB 3.36Å; E505-R508 PolarHBondContact O-N 2.89Å; E505-R508 VanDerWaalsContact O-N 3.11Å; R508-W510 VanDerWaalsContact C-N 3.27Å; R508-W510 PolarHBondContact O-N 3.44Å; R508-A511 CarbonylContact O-C 3.59Å; R508-A511 WeakPolarHBondContact O-CA 3.48Å; R508-A511 VanDerWaalsContact O-CB 3.31Å; R508-A511 WeakPolarHBondContact O-CB 3.4Å; R508-A511 PolarHBondContact O-N 2.87Å; R508-E512 HydrophobicContact CG-CG 4.46Å; R508-E512 WeakPolarHBondContact CG-OE1 3.42Å; R508-E512 IonicContact CZ-OE1 2.81Å; R508-E512 IonicContact NE-OE1 2.78Å; R508-E512 PolarHBondContact NE-OE1 2.57Å; R508-E512 IonicContact NH2-OE1 3.52Å; R508-E512 WeakPolarHBondContact O-CG 3.4Å; R508-E512 PolarHBondContact O-N 2.84Å; R508-D519 IonicContact NH2-OD1 3.95Å; R508-D519 IonicContact NH2-OD2 3.82Å; R508-D519 PolarHBondContact NH2-OD2 3.37Å
509I85.6Confident79.9Confident86 Ų8652 Ų5244%0.44125%0.248SC..Hα-helixtrans-57.6-42.5178.4-66.2167.4000110.6E505 A511 E512 K513E505-I509 HydrophobicContact CG-CD1 3.97Å; E505-I509 HydrophobicContact CG-CG1 4.47Å; E505-I509 WeakPolarHBondContact O-CG1 3.43Å; E505-I509 PolarHBondContact O-N 3.47Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 3.3Å; I509-E512 PolarHBondContact O-N 3.49Å; I509-K513 WeakPolarHBondContact O-CB 3.27Å; I509-K513 PolarHBondContact O-N 2.82Å
510W85.3Confident78.5Confident42 Ų4254.3 Ų54.316%0.15926%0.258CS..Hα-helixtrans-63.3-40.3175.9177.185.2000111.8V438 T442 V443 R446 H506 L507 R508 K513 N514V438-W510 HydrophobicContact CG1-CH2 3.74Å; V438-W510 HydrophobicContact CG1-CZ3 4.43Å; T442-W510 HydrophobicContact CG2-CH2 4.25Å; T442-W510 HydrophobicContact CG2-CZ2 4.14Å; V443-W510 HydrophobicContact CG1-CZ3 4.46Å; V443-W510 HydrophobicContact CG2-CH2 4.15Å; V443-W510 HydrophobicContact CG2-CZ3 4.06Å; R446-W510 HydrophobicContact CB-CH2 4.45Å; R446-W510 HydrophobicContact CB-CZ2 4.3Å; R446-W510 HydrophobicContact CG-CD2 3.98Å; R446-W510 HydrophobicContact CG-CE3 4.46Å; R446-W510 HydrophobicContact CG-CG 4.2Å; R446-W510 HydrophobicContact CG-CZ2 4.29Å; H506-W510 VanDerWaalsContact O-CB 3.23Å; H506-W510 WeakPolarHBondContact O-CB 3.43Å; H506-W510 PolarHBondContact O-N 2.8Å; L507-W510 PolarHBondContact O-N 2.88Å; R508-W510 VanDerWaalsContact C-N 3.27Å; R508-W510 PolarHBondContact O-N 3.44Å; W510-K513 PolarHBondContact O-N 3.36Å; W510-N514 PolarHBondContact NE1-ND2 3.32Å; W510-N514 PolarHBondContact O-N 2.84Å; W510-N514 VanDerWaalsContact O-N 3.08Å; W510-N514 PolarHBondContact O-ND2 3.01Å
511A77Confident77.8Confident0 Ų058.1 Ų58.10%028%0.282CS..Hα-helixtrans-64.7-44.5176.600000111.8L430 L507 R508 I509 K513 N514 G515 I516L430-A511 HydrophobicContact CD1-CB 4.34Å; L430-A511 HydrophobicContact CD2-CB 3.2Å; L430-A511 HydrophobicContact CG-CB 4.37Å; L507-A511 WeakPolarHBondContact O-CB 3.45Å; L507-A511 PolarHBondContact O-N 3.43Å; R508-A511 CarbonylContact O-C 3.59Å; R508-A511 WeakPolarHBondContact O-CA 3.48Å; R508-A511 VanDerWaalsContact O-CB 3.31Å; R508-A511 WeakPolarHBondContact O-CB 3.4Å; R508-A511 PolarHBondContact O-N 2.87Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 3.3Å; A511-K513 PolarHBondContact O-N 3.36Å; A511-N514 CarbonylContact O-C 3.59Å; A511-N514 WeakPolarHBondContact O-CA 3.5Å; A511-N514 PolarHBondContact O-N 2.94Å; A511-G515 PolarHBondContact O-N 3.41Å; A511-G515 VanDerWaalsContact O-N 3.11Å; A511-I516 CarbonylContact C-O 3.58Å; A511-I516 HydrophobicContact CB-CB 3.96Å; A511-I516 HydrophobicContact CB-CD1 4.02Å; A511-I516 HydrophobicContact CB-CG1 4.48Å; A511-I516 HydrophobicContact CB-CG2 4.39Å; A511-I516 WeakPolarHBondContact O-CB 3.17Å; A511-I516 PolarHBondContact O-N 3.48Å
512E77.1Confident77Confident51 Ų5157.3 Ų57.324%0.23828%0.28CS..Hα-helixtrans-59.5-44.3175.2-71.7175-172.500111.6R508 I509 N514 G515 I516 H517R508-E512 HydrophobicContact CG-CG 4.46Å; R508-E512 WeakPolarHBondContact CG-OE1 3.42Å; R508-E512 IonicContact CZ-OE1 2.81Å; R508-E512 IonicContact NE-OE1 2.78Å; R508-E512 PolarHBondContact NE-OE1 2.57Å; R508-E512 IonicContact NH2-OE1 3.52Å; R508-E512 WeakPolarHBondContact O-CG 3.4Å; R508-E512 PolarHBondContact O-N 2.84Å; I509-E512 PolarHBondContact O-N 3.49Å; E512-N514 PolarHBondContact O-N 3.08Å; E512-G515 WeakPolarHBondContact O-CA 3.4Å; E512-G515 PolarHBondContact O-N 3.48Å; E512-I516 WeakPolarHBondContact CA-O 3.48Å; E512-I516 WeakPolarHBondContact CG-O 3.4Å; E512-I516 PolarHBondContact N-O 3.48Å; E512-H517 PolarHBondContact O-CE1 3.06Å; E512-H517 PolarHBondContact O-NE2 3.32Å
513K82.1Confident76.2Confident181 Ų18164 Ų6479%0.78731%0.31SS*.Hα-helixtrans-61.8-31.3174.1-170.2171.1-177.1169.90112.6I509 W510 A511 G515I509-K513 WeakPolarHBondContact O-CB 3.27Å; I509-K513 PolarHBondContact O-N 2.82Å; W510-K513 PolarHBondContact O-N 3.36Å; A511-K513 PolarHBondContact O-N 3.36Å; K513-G515 PolarHBondContact O-N 3.34Å
514N74.7Confident75.6Confident69 Ų6968.5 Ų68.537%0.36933%0.331SS..THydrogen-bonded Turntrans-83.85.5172.4-73-78.7000113.3V438 W510 A511 E512V438-N514 HydrophobicContact CG2-CB 4.38Å; W510-N514 PolarHBondContact NE1-ND2 3.32Å; W510-N514 PolarHBondContact O-N 2.84Å; W510-N514 VanDerWaalsContact O-N 3.08Å; W510-N514 PolarHBondContact O-ND2 3.01Å; A511-N514 CarbonylContact O-C 3.59Å; A511-N514 WeakPolarHBondContact O-CA 3.5Å; A511-N514 PolarHBondContact O-N 2.94Å; E512-N514 PolarHBondContact O-N 3.08Å
515G66.6Low74.8Confident10 Ų1069.6 Ų69.610%0.10334%0.335CS..THydrogen-bonded Turntrans82.226.4174.900000114.5R437 A511 E512 K513R437-G515 PolarHBondContact NH1-O 2.9Å; A511-G515 PolarHBondContact O-N 3.41Å; A511-G515 VanDerWaalsContact O-N 3.11Å; E512-G515 WeakPolarHBondContact O-CA 3.4Å; E512-G515 PolarHBondContact O-N 3.48Å; K513-G515 PolarHBondContact O-N 3.34Å
516I67Low74.3Confident7 Ų770.9 Ų70.94%0.03634%0.339CS..  trans-101.697.7170.2-50.6171.1000106.1L433 S434 V438 A511 E512L433-I516 HydrophobicContact CB-CG2 3.49Å; L433-I516 VanDerWaalsContact CB-CG2 3.49Å; S434-I516 VanDerWaalsContact CB-CD1 3.4Å; V438-I516 HydrophobicContact CG2-CD1 4.08Å; A511-I516 CarbonylContact C-O 3.58Å; A511-I516 HydrophobicContact CB-CB 3.96Å; A511-I516 HydrophobicContact CB-CD1 4.02Å; A511-I516 HydrophobicContact CB-CG1 4.48Å; A511-I516 HydrophobicContact CB-CG2 4.39Å; A511-I516 WeakPolarHBondContact O-CB 3.17Å; A511-I516 PolarHBondContact O-N 3.48Å; E512-I516 WeakPolarHBondContact CA-O 3.48Å; E512-I516 WeakPolarHBondContact CG-O 3.4Å; E512-I516 PolarHBondContact N-O 3.48Å
517H66.2Low73.8Confident52 Ų5269.8 Ų69.824%0.24134%0.342CS..  trans-112.1123.3174.8-57.2-87.2000107.7E512 D519 K520E512-H517 PolarHBondContact O-CE1 3.06Å; E512-H517 PolarHBondContact O-NE2 3.32Å; H517-D519 VanDerWaalsContact C-N 3.28Å; H517-K520 HydrophobicContact CB-CB 4.31Å; H517-K520 HydrophobicContact CB-CD 3.68Å; H517-K520 HydrophobicContact CB-CG 3.6Å; H517-K520 WeakPolarHBondContact CD2-CE 3.3Å; H517-K520 PolarHBondContact CD2-NZ 2.82Å; H517-K520 VanDerWaalsContact CG-CE 3.45Å; H517-K520 PolarHBondContact NE2-NZ 2.93Å
518T63.3Low73.4Confident39 Ų3971.2 Ų71.224%0.23935%0.348CS..THydrogen-bonded Turntrans-60.4-42.3172.240.20000110.9I425 L433 K520I425-T518 HydrophobicContact CD1-CG2 3.39Å; I425-T518 HydrophobicContact CG1-CG2 4Å; L433-T518 HydrophobicContact CD1-CG2 3.37Å; L433-T518 HydrophobicContact CD2-CG2 4.29Å; L433-T518 HydrophobicContact CG-CG2 4.45Å; T518-K520 VanDerWaalsContact C-N 3.31Å; T518-K520 PolarHBondContact O-N 2.96Å
519D66.4Low73.3Confident112 Ų11274.1 Ų74.160%0.59936%0.36SS*.THydrogen-bonded Turntrans-88.94.2-162-46.1-26.7000113.5R508 H517 T521R508-D519 IonicContact NH2-OD1 3.95Å; R508-D519 IonicContact NH2-OD2 3.82Å; R508-D519 PolarHBondContact NH2-OD2 3.37Å; H517-D519 VanDerWaalsContact C-N 3.28Å; D519-T521 PolarHBondContact O-N 3.45Å
520K63.1Low73.1Confident52 Ų5273.7 Ų73.723%0.22636%0.356CS..  trans-82.1122-179.3-72.9-172.3175.5175.20110.9H517 T518 Q524 K525H517-K520 HydrophobicContact CB-CB 4.31Å; H517-K520 HydrophobicContact CB-CD 3.68Å; H517-K520 HydrophobicContact CB-CG 3.6Å; H517-K520 WeakPolarHBondContact CD2-CE 3.3Å; H517-K520 PolarHBondContact CD2-NZ 2.82Å; H517-K520 VanDerWaalsContact CG-CE 3.45Å; H517-K520 PolarHBondContact NE2-NZ 2.93Å; T518-K520 VanDerWaalsContact C-N 3.31Å; T518-K520 PolarHBondContact O-N 2.96Å; K520-Q524 HydrophobicContact CB-CB 4.14Å; K520-Q524 HydrophobicContact CG-CB 4.42Å; K520-K525 HydrophobicContact CB-CG 3.98Å; K520-K525 WeakPolarHBondContact O-CE 3.4Å; K520-K525 PolarHBondContact O-NZ 3.45Å
521T71.4Confident73Confident80 Ų8081 Ų8149%0.49138%0.383SS..  trans-49.1146166.3-36.30000110.2D519 E523 Q524 K525D519-T521 PolarHBondContact O-N 3.45Å; T521-E523 HydrophobicContact CG2-CB 4.41Å; T521-E523 HydrophobicContact CG2-CG 4.42Å; T521-E523 PolarHBondContact O-N 2.8Å; T521-Q524 WeakPolarHBondContact O-CB 2.91Å; T521-Q524 PolarHBondContact O-N 2.93Å; T521-K525 PolarHBondContact O-N 3.24Å
522E72.1Confident72.9Confident118 Ų11885 Ų8555%0.55140%0.398SS*.Hα-helixtrans-48.7-35.8174.3-87.5-65.7130.900112.1K525 K526E522-K525 CarbonylContact O-C 3.41Å; E522-K525 WeakPolarHBondContact O-CB 2.98Å; E522-K525 PolarHBondContact O-N 2.76Å; E522-K525 IonicContact OE1-NZ 3.15Å; E522-K526 WeakPolarHBondContact O-CB 3.48Å; E522-K526 PolarHBondContact O-N 2.98Å
523E73.1Confident73.3Confident151 Ų15187.7 Ų87.771%0.70641%0.409SS*.Hα-helixtrans-63.7-46175-61.6-172.6164.800113.4T521 K525 K526 A527T521-E523 HydrophobicContact CG2-CB 4.41Å; T521-E523 HydrophobicContact CG2-CG 4.42Å; T521-E523 PolarHBondContact O-N 2.8Å; E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 2.8Å; E523-K526 CarbonylContact O-C 3.59Å; E523-K526 WeakPolarHBondContact O-CB 3.4Å; E523-K526 PolarHBondContact O-N 3.02Å; E523-K526 VanDerWaalsContact O-N 3.15Å; E523-A527 WeakPolarHBondContact O-CB 3.43Å; E523-A527 PolarHBondContact O-N 3.46Å
524Q75.1Confident73.5Confident99 Ų9986.3 Ų86.346%0.46340%0.403SS..Hα-helixtrans-64.9-37.7175.8-64-176.3-2.100110.8K520 T521 Q528K520-Q524 HydrophobicContact CB-CB 4.14Å; K520-Q524 HydrophobicContact CG-CB 4.42Å; T521-Q524 WeakPolarHBondContact O-CB 2.91Å; T521-Q524 PolarHBondContact O-N 2.93Å; Q524-Q528 WeakPolarHBondContact O-CB 3.49Å; Q524-Q528 PolarHBondContact O-N 3.3Å
525K66.8Low73.9Confident57 Ų5789.9 Ų89.925%0.24841%0.413CS..Hα-helixtrans-61.7-43.8171.9-67.8173.3179.51590110.5K520 T521 E522 E523 R529K520-K525 HydrophobicContact CB-CG 3.98Å; K520-K525 WeakPolarHBondContact O-CE 3.4Å; K520-K525 PolarHBondContact O-NZ 3.45Å; T521-K525 PolarHBondContact O-N 3.24Å; E522-K525 CarbonylContact O-C 3.41Å; E522-K525 WeakPolarHBondContact O-CB 2.98Å; E522-K525 PolarHBondContact O-N 2.76Å; E522-K525 IonicContact OE1-NZ 3.15Å; E523-K525 VanDerWaalsContact C-N 3.29Å; E523-K525 PolarHBondContact O-N 2.8Å; K525-R529 WeakPolarHBondContact O-CB 3.37Å; K525-R529 WeakPolarHBondContact O-CG 3.19Å; K525-R529 PolarHBondContact O-N 3.24Å
526K76.8Confident74.8Confident142 Ų14297.2 Ų97.262%0.61744%0.437SS*.Hα-helixtrans-65.9-47.8177.5-168.3178.7-179.9-177.80112.1E522 E523 Q528 R529 E530E522-K526 WeakPolarHBondContact O-CB 3.48Å; E522-K526 PolarHBondContact O-N 2.98Å; E523-K526 CarbonylContact O-C 3.59Å; E523-K526 WeakPolarHBondContact O-CB 3.4Å; E523-K526 PolarHBondContact O-N 3.02Å; E523-K526 VanDerWaalsContact O-N 3.15Å; K526-Q528 VanDerWaalsContact C-N 3.32Å; K526-Q528 PolarHBondContact O-N 3.35Å; K526-R529 WeakPolarHBondContact O-CA 3.4Å; K526-R529 WeakPolarHBondContact O-CB 3.49Å; K526-R529 PolarHBondContact O-N 3.48Å; K526-R529 VanDerWaalsContact O-N 3.1Å; K526-E530 PolarHBondContact O-N 2.93Å
527A78.4Confident75.9Confident47 Ų47103.9 Ų103.939%0.38847%0.466SS..Hα-helixtrans-60.2-41.9175.600000111.7E523 E530 R531E523-A527 WeakPolarHBondContact O-CB 3.43Å; E523-A527 PolarHBondContact O-N 3.46Å; A527-E530 PolarHBondContact O-N 2.63Å; A527-R531 WeakPolarHBondContact O-CG 3.42Å; A527-R531 PolarHBondContact O-N 2.93Å
528Q75Confident77Confident41 Ų41106.9 Ų106.919%0.19248%0.483CS..Hα-helixtrans-66.1-38.9174.3-167.2-175.231.400112Q524 K526 E530 R532Q524-Q528 WeakPolarHBondContact O-CB 3.49Å; Q524-Q528 PolarHBondContact O-N 3.3Å; K526-Q528 VanDerWaalsContact C-N 3.32Å; K526-Q528 PolarHBondContact O-N 3.35Å; Q528-E530 VanDerWaalsContact C-N 3.34Å; Q528-R532 WeakPolarHBondContact O-CB 3.39Å; Q528-R532 VanDerWaalsContact O-CG 3.3Å; Q528-R532 WeakPolarHBondContact O-CG 3.35Å; Q528-R532 PolarHBondContact O-N 3.31Å
529R76.2Confident78.2Confident121 Ų121111.5 Ų111.546%0.45750%0.5SS..Hα-helixtrans-59.9-45.2173-74.7166.2-172.1179.16110.4K525 K526 R532 K533K525-R529 WeakPolarHBondContact O-CB 3.37Å; K525-R529 WeakPolarHBondContact O-CG 3.19Å; K525-R529 PolarHBondContact O-N 3.24Å; K526-R529 WeakPolarHBondContact O-CA 3.4Å; K526-R529 WeakPolarHBondContact O-CB 3.49Å; K526-R529 PolarHBondContact O-N 3.48Å; K526-R529 VanDerWaalsContact O-N 3.1Å; R529-R532 PolarHBondContact O-N 2.92Å; R529-K533 WeakPolarHBondContact O-CB 3.2Å; R529-K533 WeakPolarHBondContact O-CG 3.33Å; R529-K533 PolarHBondContact O-N 3.43Å
530E82.1Confident79.2Confident77 Ų77115.4 Ų115.436%0.3651%0.506SS..Hα-helixtrans-66-46177.7-71.7-52.5131.800112.8K526 A527 Q528 R532 K533 K534K526-E530 PolarHBondContact O-N 2.93Å; A527-E530 PolarHBondContact O-N 2.63Å; Q528-E530 VanDerWaalsContact C-N 3.34Å; E530-R532 VanDerWaalsContact C-N 3.26Å; E530-R532 PolarHBondContact O-N 2.85Å; E530-K533 PolarHBondContact O-N 2.99Å; E530-K533 VanDerWaalsContact O-N 3.16Å; E530-K533 WeakPolarHBondContact OE1-CD 3.33Å; E530-K533 IonicContact OE1-NZ 2.98Å; E530-K533 PolarHBondContact OE1-NZ 2.72Å; E530-K534 WeakPolarHBondContact O-CB 3.47Å; E530-K534 WeakPolarHBondContact O-CG 3.46Å; E530-K534 PolarHBondContact O-N 2.92Å
531R81.8Confident80.5Confident196 Ų196120 Ų12074%0.7453%0.526SS*.Hα-helixtrans-54.8-42.8172.9-73.4178.6-174.2-178.73.2111.6A527 K534 Y535A527-R531 WeakPolarHBondContact O-CG 3.42Å; A527-R531 PolarHBondContact O-N 2.93Å; R531-K534 PolarHBondContact O-N 3.14Å; R531-Y535 WeakPolarHBondContact O-CB 3.44Å; R531-Y535 PolarHBondContact O-N 2.84Å
532R75.4Confident81.3Confident83 Ų83118.1 Ų118.131%0.31352%0.518SS..Hα-helixtrans-72.4-36.5177.8-71.5179.5-177.3-148.46.2113Q528 R529 E530 Y535 R536Q528-R532 WeakPolarHBondContact O-CB 3.39Å; Q528-R532 VanDerWaalsContact O-CG 3.3Å; Q528-R532 WeakPolarHBondContact O-CG 3.35Å; Q528-R532 PolarHBondContact O-N 3.31Å; R529-R532 PolarHBondContact O-N 2.92Å; E530-R532 VanDerWaalsContact C-N 3.26Å; E530-R532 PolarHBondContact O-N 2.85Å; R532-Y535 PolarHBondContact O-N 2.96Å; R532-R536 WeakPolarHBondContact O-CB 3.34Å; R532-R536 VanDerWaalsContact O-CG 3.3Å; R532-R536 WeakPolarHBondContact O-CG 3.41Å; R532-R536 PolarHBondContact O-N 3.32Å
533K85Confident82.1Confident108 Ų108120.2 Ų120.247%0.4752%0.521SS..Hα-helixtrans-61.7-45.9171.8-76.7177.1-172.4171.70110.2R529 E530 R536 K537R529-K533 WeakPolarHBondContact O-CB 3.2Å; R529-K533 WeakPolarHBondContact O-CG 3.33Å; R529-K533 PolarHBondContact O-N 3.43Å; E530-K533 PolarHBondContact O-N 2.99Å; E530-K533 VanDerWaalsContact O-N 3.16Å; E530-K533 WeakPolarHBondContact OE1-CD 3.33Å; E530-K533 IonicContact OE1-NZ 2.98Å; E530-K533 PolarHBondContact OE1-NZ 2.72Å; K533-R536 PolarHBondContact O-N 2.9Å; K533-K537 WeakPolarHBondContact O-CB 3.32Å; K533-K537 WeakPolarHBondContact O-CG 3.26Å; K533-K537 PolarHBondContact O-N 2.82Å
534K87.4Confident82.7Confident151 Ų151118.6 Ų118.666%0.65751%0.512SS*.Hα-helixtrans-57.6-49.5173.2-72.6-176.4-179.1-173.90111.2E530 R531 R536 K537 L538E530-K534 WeakPolarHBondContact O-CB 3.47Å; E530-K534 WeakPolarHBondContact O-CG 3.46Å; E530-K534 PolarHBondContact O-N 2.92Å; R531-K534 PolarHBondContact O-N 3.14Å; K534-R536 PolarHBondContact O-N 3.25Å; K534-K537 PolarHBondContact O-N 3.34Å; K534-L538 WeakPolarHBondContact O-CB 3.37Å; K534-L538 PolarHBondContact O-N 2.88Å
535Y83.4Confident83.1Confident145 Ų145118 Ų11857%0.56952%0.515SS*.Hα-helixtrans-59.5-43.7176.2178.6-97.4000113.1R531 R532 L538 K539R531-Y535 WeakPolarHBondContact O-CB 3.44Å; R531-Y535 PolarHBondContact O-N 2.84Å; R532-Y535 PolarHBondContact O-N 2.96Å; Y535-L538 PolarHBondContact O-N 3.45Å; Y535-K539 HydrophobicContact CE1-CD 4.22Å; Y535-K539 WeakPolarHBondContact O-CB 3.48Å; Y535-K539 PolarHBondContact O-N 2.94Å
536R85Confident83.8Confident164 Ų164123.8 Ų123.862%0.61954%0.536SS*.Hα-helixtrans-64.6-41.6176.1-74.2174.6-178.8-174.9-0.9112R532 K533 K534 K539 R540R532-R536 WeakPolarHBondContact O-CB 3.34Å; R532-R536 VanDerWaalsContact O-CG 3.3Å; R532-R536 WeakPolarHBondContact O-CG 3.41Å; R532-R536 PolarHBondContact O-N 3.32Å; K533-R536 PolarHBondContact O-N 2.9Å; K534-R536 PolarHBondContact O-N 3.25Å; R536-K539 PolarHBondContact O-N 3.3Å; R536-R540 WeakPolarHBondContact O-CB 3.22Å; R536-R540 WeakPolarHBondContact O-CG 3.47Å; R536-R540 PolarHBondContact O-N 3.12Å
537K89.7Confident84.1Confident146 Ų146122.6 Ų122.664%0.63553%0.531SS*.Hα-helixtrans-62.7-45.5174.3-75.1-178.1178.5-174.50110.7K533 K534 R540 K541K533-K537 WeakPolarHBondContact O-CB 3.32Å; K533-K537 WeakPolarHBondContact O-CG 3.26Å; K533-K537 PolarHBondContact O-N 2.82Å; K534-K537 PolarHBondContact O-N 3.34Å; K537-R540 PolarHBondContact O-N 3.44Å; K537-K541 WeakPolarHBondContact O-CB 3.3Å; K537-K541 WeakPolarHBondContact O-CG 3.35Å; K537-K541 PolarHBondContact O-N 3.15Å
538L88.9Confident84.2Confident116 Ų116124.4 Ų124.461%0.60753%0.533SS*.Hα-helixtrans-61.4-46.2176.7-167.174.6000111.5K534 Y535 R540 K541 A542K534-L538 WeakPolarHBondContact O-CB 3.37Å; K534-L538 PolarHBondContact O-N 2.88Å; Y535-L538 PolarHBondContact O-N 3.45Å; L538-R540 VanDerWaalsContact C-N 3.34Å; L538-R540 PolarHBondContact O-N 2.93Å; L538-K541 PolarHBondContact O-N 2.9Å; L538-A542 WeakPolarHBondContact O-CB 3.28Å; L538-A542 PolarHBondContact O-N 2.84Å
539K89Confident84.3Confident135 Ų135124.8 Ų124.859%0.58754%0.54SS*.Hα-helixtrans-63.7-37.7176.6-169.2174.1-177.6173.60112.2Y535 R536 W543Y535-K539 HydrophobicContact CE1-CD 4.22Å; Y535-K539 WeakPolarHBondContact O-CB 3.48Å; Y535-K539 PolarHBondContact O-N 2.94Å; R536-K539 PolarHBondContact O-N 3.3Å; K539-W543 VanDerWaalsContact O-CB 3.24Å; K539-W543 WeakPolarHBondContact O-CB 3.45Å; K539-W543 PolarHBondContact O-N 3Å
540R88.3Confident84Confident194 Ų194127.6 Ų127.673%0.73255%0.551SS**Hα-helixtrans-67-44.1172.9-78.7-178.6-178.4-174.4-0.3112R536 K537 L538 W543 F544R536-R540 WeakPolarHBondContact O-CB 3.22Å; R536-R540 WeakPolarHBondContact O-CG 3.47Å; R536-R540 PolarHBondContact O-N 3.12Å; K537-R540 PolarHBondContact O-N 3.44Å; L538-R540 VanDerWaalsContact C-N 3.34Å; L538-R540 PolarHBondContact O-N 2.93Å; R540-W543 PolarHBondContact O-N 3.3Å; R540-F544 WeakPolarHBondContact O-CB 3.31Å; R540-F544 PolarHBondContact O-N 2.87Å
541K89.8Confident82.9Confident150 Ų150127 Ų12765%0.65256%0.555SS**Hα-helixtrans-60.2-49.7174.9-76.2-173.4175.7-167.30111.1K537 L538 W543 F544 T545K537-K541 WeakPolarHBondContact O-CB 3.3Å; K537-K541 WeakPolarHBondContact O-CG 3.35Å; K537-K541 PolarHBondContact O-N 3.15Å; L538-K541 PolarHBondContact O-N 2.9Å; K541-W543 VanDerWaalsContact C-N 3.28Å; K541-W543 PolarHBondContact O-N 3.14Å; K541-F544 PolarHBondContact O-N 3.35Å; K541-F544 VanDerWaalsContact O-N 3.1Å; K541-T545 WeakPolarHBondContact O-CG2 3.4Å; K541-T545 PolarHBondContact O-N 2.88Å; K541-T545 PolarHBondContact O-OG1 3.17Å; K541-T545 VanDerWaalsContact O-OG1 3.13Å
542A87.1Confident81.7Confident39 Ų39121.1 Ų121.132%0.32254%0.54SS..Hα-helixtrans-61.8-34.3176.100000112.9L538 T545 R546L538-A542 WeakPolarHBondContact O-CB 3.28Å; L538-A542 PolarHBondContact O-N 2.84Å; A542-T545 WeakPolarHBondContact CA-OG1 3.41Å; A542-T545 PolarHBondContact O-OG1 3Å; A542-T545 VanDerWaalsContact O-OG1 3.09Å; A542-R546 WeakPolarHBondContact O-CB 3.5Å; A542-R546 WeakPolarHBondContact O-CD 3.41Å; A542-R546 WeakPolarHBondContact O-CG 3.4Å; A542-R546 PolarHBondContact O-N 3.4Å
543W89.3Confident80.4Confident163 Ų163124.3 Ų124.362%0.61756%0.559SS**Hα-helixtrans-69.3-41172.717886.4000111.9K539 R540 K541 K547K539-W543 VanDerWaalsContact O-CB 3.24Å; K539-W543 WeakPolarHBondContact O-CB 3.45Å; K539-W543 PolarHBondContact O-N 3Å; R540-W543 PolarHBondContact O-N 3.3Å; K541-W543 VanDerWaalsContact C-N 3.28Å; K541-W543 PolarHBondContact O-N 3.14Å; W543-K547 HydrophobicContact CH2-CG 4.14Å; W543-K547 HydrophobicContact CZ2-CG 4.02Å; W543-K547 HydrophobicContact CZ3-CG 4.43Å; W543-K547 WeakPolarHBondContact O-CB 3.15Å; W543-K547 PolarHBondContact O-N 2.88Å
544F85.8Confident78.8Confident116 Ų116126.7 Ų126.751%0.50957%0.569SS.*Hα-helixtrans-69.4-42.2-180-167.3-104.7000112R540 K541 R546 K547 L548R540-F544 WeakPolarHBondContact O-CB 3.31Å; R540-F544 PolarHBondContact O-N 2.87Å; K541-F544 PolarHBondContact O-N 3.35Å; K541-F544 VanDerWaalsContact O-N 3.1Å; F544-R546 PolarHBondContact O-N 3.31Å; F544-K547 CarbonylContact O-C 3.42Å; F544-K547 WeakPolarHBondContact O-CA 3.44Å; F544-K547 VanDerWaalsContact O-CB 3.31Å; F544-K547 WeakPolarHBondContact O-CB 3.43Å; F544-K547 PolarHBondContact O-N 3.09Å; F544-L548 HydrophobicContact CD1-CD1 3.71Å; F544-L548 HydrophobicContact CD1-CG 4.15Å; F544-L548 HydrophobicContact CE1-CD1 3.34Å; F544-L548 HydrophobicContact CE1-CD2 4.42Å; F544-L548 HydrophobicContact CE1-CG 3.87Å; F544-L548 HydrophobicContact CZ-CD1 4.09Å; F544-L548 HydrophobicContact CZ-CD2 4.38Å; F544-L548 HydrophobicContact CZ-CG 4.23Å; F544-L548 PolarHBondContact O-N 3.21Å
545T83.1Confident76.9Confident87 Ų87126.6 Ų126.653%0.53457%0.571SS.*Hα-helixtrans-62.1-42.7174.151.20000111.7K541 A542 K547 L548 S549K541-T545 WeakPolarHBondContact O-CG2 3.4Å; K541-T545 PolarHBondContact O-N 2.88Å; K541-T545 PolarHBondContact O-OG1 3.17Å; K541-T545 VanDerWaalsContact O-OG1 3.13Å; A542-T545 WeakPolarHBondContact CA-OG1 3.41Å; A542-T545 PolarHBondContact O-OG1 3Å; A542-T545 VanDerWaalsContact O-OG1 3.09Å; T545-K547 PolarHBondContact O-N 3.36Å; T545-L548 PolarHBondContact O-N 3.07Å; T545-S549 WeakPolarHBondContact O-CB 3.5Å; T545-S549 PolarHBondContact O-N 2.91Å; T545-S549 PolarHBondContact O-OG 3.42Å
546R82.7Confident75.1Confident179 Ų179127.3 Ų127.368%0.67558%0.584SS**Hα-helixtrans-63.2-26.1172-72.5172.4-172.4-1791.5113.5A542 F544 S549 R550A542-R546 WeakPolarHBondContact O-CB 3.5Å; A542-R546 WeakPolarHBondContact O-CD 3.41Å; A542-R546 WeakPolarHBondContact O-CG 3.4Å; A542-R546 PolarHBondContact O-N 3.4Å; F544-R546 PolarHBondContact O-N 3.31Å; R546-S549 PolarHBondContact O-OG 2.8Å; R546-R550 WeakPolarHBondContact O-CD 3.21Å; R546-R550 VanDerWaalsContact O-CG 3.31Å; R546-R550 WeakPolarHBondContact O-CG 3.4Å
547K83.3Confident73.1Confident117 Ų117123.7 Ų123.751%0.50958%0.584SS.*Hα-helixtrans-79.4-41.9176.9-108.8-82.4-171.1169.30111.1W543 F544 T545W543-K547 HydrophobicContact CH2-CG 4.14Å; W543-K547 HydrophobicContact CZ2-CG 4.02Å; W543-K547 HydrophobicContact CZ3-CG 4.43Å; W543-K547 WeakPolarHBondContact O-CB 3.15Å; W543-K547 PolarHBondContact O-N 2.88Å; F544-K547 CarbonylContact O-C 3.42Å; F544-K547 WeakPolarHBondContact O-CA 3.44Å; F544-K547 VanDerWaalsContact O-CB 3.31Å; F544-K547 WeakPolarHBondContact O-CB 3.43Å; F544-K547 PolarHBondContact O-N 3.09Å; T545-K547 PolarHBondContact O-N 3.36Å
548L80Confident70.8Confident85 Ų85123.1 Ų123.145%0.44559%0.588SS.*Hα-helixtrans-71.4-41.5177.8-75.4179.2000112.7F544 T545 R550 C551 T552F544-L548 HydrophobicContact CD1-CD1 3.71Å; F544-L548 HydrophobicContact CD1-CG 4.15Å; F544-L548 HydrophobicContact CE1-CD1 3.34Å; F544-L548 HydrophobicContact CE1-CD2 4.42Å; F544-L548 HydrophobicContact CE1-CG 3.87Å; F544-L548 HydrophobicContact CZ-CD1 4.09Å; F544-L548 HydrophobicContact CZ-CD2 4.38Å; F544-L548 HydrophobicContact CZ-CG 4.23Å; F544-L548 PolarHBondContact O-N 3.21Å; T545-L548 PolarHBondContact O-N 3.07Å; L548-R550 PolarHBondContact O-N 2.86Å; L548-C551 CarbonylContact O-C 3.48Å; L548-C551 WeakPolarHBondContact O-CA 3.43Å; L548-C551 WeakPolarHBondContact O-CB 3.38Å; L548-C551 PolarHBondContact O-N 3.06Å; L548-T552 PolarHBondContact O-N 3.23Å; L548-T552 PolarHBondContact O-OG1 3.22Å
549S77.2Confident68.1Low49 Ų49120.5 Ų120.534%0.34359%0.589SS.*Hα-helixtrans-59.2-36.9177.168.20000111.7T545 R546 C551 T552 E553T545-S549 WeakPolarHBondContact O-CB 3.5Å; T545-S549 PolarHBondContact O-N 2.91Å; T545-S549 PolarHBondContact O-OG 3.42Å; R546-S549 PolarHBondContact O-OG 2.8Å; S549-C551 PolarHBondContact O-N 3.19Å; S549-T552 PolarHBondContact O-OG1 3.19Å; S549-E553 WeakPolarHBondContact O-CB 2.84Å; S549-E553 WeakPolarHBondContact O-CG 3.49Å; S549-E553 PolarHBondContact O-N 3.4Å; S549-E553 VanDerWaalsContact O-N 3.08Å
550R69.6Low65.6Low180 Ų180121.7 Ų121.768%0.67960%0.6SS**Hα-helixtrans-69.5-14.7173-73.8-179.9176.7-156.6-2.2114.5R546 L548 K554R546-R550 WeakPolarHBondContact O-CD 3.21Å; R546-R550 VanDerWaalsContact O-CG 3.31Å; R546-R550 WeakPolarHBondContact O-CG 3.4Å; L548-R550 PolarHBondContact O-N 2.86Å; R550-K554 WeakPolarHBondContact O-CD 3.23Å; R550-K554 WeakPolarHBondContact O-CG 3.45Å
551C59.4Low63Low64 Ų64119.5 Ų119.543%0.43260%0.6SS.*Hα-helixtrans-97.4-39.8176.8-75.90000111.3L548 S549 K554 Q555L548-C551 CarbonylContact O-C 3.48Å; L548-C551 WeakPolarHBondContact O-CA 3.43Å; L548-C551 WeakPolarHBondContact O-CB 3.38Å; L548-C551 PolarHBondContact O-N 3.06Å; S549-C551 PolarHBondContact O-N 3.19Å; C551-K554 PolarHBondContact O-N 3.33Å; C551-K554 VanDerWaalsContact O-N 3.15Å; C551-Q555 PolarHBondContact O-N 3.09Å
552T55.8Low60.3Low72 Ų72118 Ų11844%0.44260%0.599SS.*Hα-helixtrans-71.7-35177.449.20000112.5L548 S549 K554 Q555 L556L548-T552 PolarHBondContact O-N 3.23Å; L548-T552 PolarHBondContact O-OG1 3.22Å; S549-T552 PolarHBondContact O-OG1 3.19Å; T552-K554 PolarHBondContact O-N 3.25Å; T552-Q555 PolarHBondContact O-N 3.11Å; T552-L556 PolarHBondContact O-N 3.09Å
553E49.6Very low58.1Low151 Ų151122.4 Ų122.471%0.70662%0.617SS**THydrogen-bonded Turntrans-64.9-13.9169.9-76.9173174.600113.2S549S549-E553 WeakPolarHBondContact O-CB 2.84Å; S549-E553 WeakPolarHBondContact O-CG 3.49Å; S549-E553 PolarHBondContact O-N 3.4Å; S549-E553 VanDerWaalsContact O-N 3.08Å
554K49.9Very low55.6Low158 Ų158120.9 Ų120.969%0.68762%0.62SS**THydrogen-bonded Turntrans-100.6-9.4175.9-71.7-174175.6-165.20114.2R550 C551 T552R550-K554 WeakPolarHBondContact O-CD 3.23Å; R550-K554 WeakPolarHBondContact O-CG 3.45Å; C551-K554 PolarHBondContact O-N 3.33Å; C551-K554 VanDerWaalsContact O-N 3.15Å; T552-K554 PolarHBondContact O-N 3.25Å
555Q47.5Very low53.2Low148 Ų148123.5 Ų123.569%0.69263%0.634SS**THydrogen-bonded Turntrans-110.6-16.9-175.9-76.5-174.8-31.800113.5C551 T552 S557C551-Q555 PolarHBondContact O-N 3.09Å; T552-Q555 PolarHBondContact O-N 3.11Å; Q555-S557 VanDerWaalsContact C-N 3.29Å; Q555-S557 PolarHBondContact O-N 3.18Å
556L45.7Very low51.1Low160 Ų160124.7 Ų124.784%0.83865%0.645SS**THydrogen-bonded Turntrans-84.32.1175.1-83.7153.4000114T552T552-L556 PolarHBondContact O-N 3.09Å
557S42.7Very low48.9Very low88 Ų88124 Ų12462%0.61565%0.652SS**THydrogen-bonded Turntrans-97.3-10.3175.3570000114.5Q555Q555-S557 VanDerWaalsContact C-N 3.29Å; Q555-S557 PolarHBondContact O-N 3.18Å
558D41.6Very low46.9Very low135 Ų135124.8 Ų124.872%0.72266%0.662SS**SBendtrans-119.5109.5-179.8-73-22.9000109.7
559G33.8Very low45Very low61 Ų61126.2 Ų126.263%0.62967%0.673SS**  trans-61.7154.5-174.200000115.3
560I36.3Very low43.2Very low160 Ų160131.3 Ų131.382%0.82170%0.697SS**  96.3131.181.8-74165.6000110.4
561M32.1Very low41.7Very low148 Ų148127.2 Ų127.273%0.72970%0.696SS**  trans84.5104.6169.3-65.8-106.3178.700116.2
562N34.9Very low40.8Very low119 Ų119130.8 Ų130.864%0.63671%0.71SS**  93.712893.6-79.619.3000109.1
563D40.2Very low39.8Very low131 Ų131134.6 Ų134.670%0.70173%0.728SS**  cis-155.5140.131.2-69.9-53.5000107.5
564I36.9Very low39Very low131 Ų131132.9 Ų132.967%0.67273%0.73SS**  60.3124.567.5-60.9177.4000109.7
565E34.5Very low38.2Very low171 Ų171132.1 Ų132.180%0.79974%0.739SS**  cis-172.8169.713.7-112.4164.9-174.200109.5
566S40Very low37.5Very low112 Ų112133.7 Ų133.778%0.78375%0.746SS**  trans127.895156.261.70000112.9
567M37Very low36.8Very low164 Ų164133.3 Ų133.381%0.80874%0.744SS**  68.2122.380-70.5-169.26800111.8
568D40Very low36.1Very low134 Ų134140.8 Ų140.872%0.71776%0.759SS**  cis-147.7136.145.8-70.4-49.3000112.4
569V41.4Very low35.8Very low114 Ų114140.3 Ų140.369%0.69176%0.755SS**  61.7110.591.8-167.40000113.6
570D38.9Very low35.7Very low157 Ų157142.9 Ų142.984%0.8476%0.758SS**  -150.3147.987.9-82.3-42.2000114.9
571S38.8Very low35.7Very low93 Ų93142.1 Ų142.165%0.6576%0.761SS**  trans-77.2161.2179.751.90000113
572D39.4Very low35.7Very low139 Ų139140 Ų14074%0.74376%0.761SS**  -160.5147.374.7-75.3-28000114.7
573D34.6Very low35.6Very low153 Ų153142 Ų14282%0.81877%0.766SS**  trans74.898.2155.8-68.7-12.6000123.8
574P34Very low35.3Very low115 Ų115143.9 Ų143.975%0.74778%0.776SS**  trans-116112.4152.134.2-18.6000111.1
575T31.6Very low35.2Very low142 Ų142144.7 Ų144.787%0.87178%0.78SS**  trans-180147.4150.818.10000108.8
576Q33.7Very low35Very low181 Ų181143.1 Ų143.185%0.84678%0.777SS**SBendtrans98.878.1-173.3-54.1-85.86.100114.1
577L31.5Very low34.7Very low151 Ų151145.5 Ų145.579%0.79178%0.781SS**  trans171.158.1136.9-90.8157.7000110.2I579 V580L577-I579 VanDerWaalsContact C-N 3.33Å; L577-V580 HydrophobicContact CD2-CG2 3.6Å
578R28.1Very low34.3Very low246 Ų246140.8 Ų140.893%0.92877%0.774SS**SBendtrans-93.521.8170.1-127.4179.7-172.7171.62.3112.3
579I34.1Very low33.9Very low125 Ų125141.7 Ų141.764%0.64178%0.779SS**  trans-126.6-7-165.7-64.4178.5000115.8L577L577-I579 VanDerWaalsContact C-N 3.33Å
580V32.7Very low33.3Very low115 Ų115141.5 Ų141.570%0.69778%0.778SS**THydrogen-bonded Turntrans-99.913.2-171.6-167.70000114.7L577L577-V580 HydrophobicContact CD2-CG2 3.6Å
581T34.7Very low32.8Very low144 Ų144142.6 Ų142.688%0.88378%0.775SS**THydrogen-bonded Turntrans-104.510.1-177.814.50000115.8
582S33.1Very low32.2Very low104 Ų104144.7 Ų144.773%0.72778%0.78SS**SBendtrans-134.815-174.551.10000116.1
583Q32.4Very low31.7Very low159 Ų159144.4 Ų144.474%0.74378%0.778SS**SBendtrans-131.8141.5173.8-70172.5-18.900108.3
584L33.5Very low31.5Very low171 Ų171142.4 Ų142.490%0.89577%0.771SS**  trans92.732.6-165.2-47.4176.7000115.3
585I34.7Very low31.5Very low149 Ų149144.7 Ų144.776%0.76477%0.77SS**SBendtrans-107.6134.1134.9-64.2171.8000103.6
586N30.7Very low31.4Very low137 Ų137146.3 Ų146.373%0.73377%0.765SS**  trans88.394.2-169.2-50.9-20000112.9
587D34.5Very low31.2Very low163 Ų163144.3 Ų144.387%0.87277%0.765SS**  -178.788.1128.8-81.8-14.8000106.8
588G27.3Very low31.3Very low64 Ų64139.9 Ų139.966%0.6676%0.756SS**  trans-76.7140.7148.400000107.5
589D32.2Very low31.6Very low154 Ų154135.4 Ų135.482%0.82475%0.75SS**  trans173.7118135.3-85.1-18.1000108.6
590V28Very low31.2Very low110 Ų110136.2 Ų136.267%0.66776%0.756SS**  77.1143.3100.6-169.80000113.1
591F29.2Very low31.4Very low179 Ų179141.1 Ų141.179%0.78576%0.763SS**  trans100.395171.2-71.7-83.7000115.4
592N25.8Very low31.3Very low138 Ų138140.4 Ų140.474%0.73875%0.754SS**  38.6111.675.6-76.9-9.2000112
593D29.1Very low31.1Very low133 Ų133140.6 Ų140.671%0.71175%0.751SS**  174.1148.797-112.1-32.8000114
594T31.1Very low31Very low110 Ų110140.1 Ų140.168%0.67575%0.753SS**  trans73.2135.115062.40000118.5
595K32.7Very low31.2Very low164 Ų164139.9 Ų139.971%0.71375%0.752SS**  cis-171.4138.226.8-119.1154.7-172.4175.40108.9
596K29.6Very low30.8Very low176 Ų176141.1 Ų141.177%0.76576%0.76SS**  58.3132.9129.7-66.7-174.3-175-171.60118.1
597T30.1Very low30.9Very low139 Ų139138.2 Ų138.285%0.85376%0.763SS**  cis177.1155.132.2180000108.7
598G33.5Very low30.6Very low58 Ų58141.7 Ų141.760%0.59876%0.764SS**  trans122.978.3161.500000114.5
599D33.9Very low30.7Very low151 Ų151144.7 Ų144.781%0.80777%0.773SS**  83.892.5100.7-62.3-24.1000112.7
600N27.3Very low30.4Very low142 Ų142144.5 Ų144.576%0.75977%0.771SS**  56.7110.793.8-79-15.8000114.6
601Y35.4Very low30.7Very low218 Ų218145.4 Ų145.486%0.85578%0.777SS**  -168.2106.7127.1-92.2-66.7000111.2
602N34.1Very low30.7Very low129 Ų129142.8 Ų142.869%0.6977%0.771SS**  trans38.8113.8140.9-59-13.4000120.2
603T28.4Very low30.9Very low108 Ų108141.8 Ų141.866%0.66377%0.772SS**  49.6109.275.963.70000114.2
604D29.9Very low31.1Very low149 Ų149142.4 Ų142.480%0.79778%0.775SS**  172.8154.3110.6-81.4-25.5000113.3
605L36.7Very low31.1Very low167 Ų167145.4 Ų145.487%0.87478%0.782SS**  trans99.369.9166-53.3176.1000118.5
606N27.9Very low31.1Very low174 Ų174145.9 Ų145.993%0.9379%0.791SS**  trans-16.1120.2137.4-69.1-41.4000116.9
607G31.5Very low31.2Very low76 Ų76144.6 Ų144.678%0.78479%0.792SS**  trans-147.792.6159.900000109.7C609G607-C609 PolarHBondContact O-N 3.17Å
608R28Very low31.1Very low237 Ų237145.8 Ų145.889%0.89479%0.793SS**  trans-56.2114.8179.7-85.3175.5170.1177.4-3.3111.8
609C30.4Very low31Very low126 Ų126149 Ų14985%0.85181%0.806SS**  trans-135.493.9145.2-90.90000108G607 V611G607-C609 PolarHBondContact O-N 3.17Å; C609-V611 PolarHBondContact O-N 3.49Å
610L26.6Very low30.8Very low150 Ų150146.4 Ų146.479%0.78580%0.8SS**  trans-69.7102.2170.6-74.2163.5000108.8
611V33.4Very low30.9Very low129 Ų129148.5 Ų148.578%0.78281%0.805SS**  trans-130.897.3154.2-177.90000106.3C609 P613C609-V611 PolarHBondContact O-N 3.49Å; V611-P613 WeakPolarHBondContact O-CD 3.45Å
612N28.8Very low30.7Very low125 Ų125145.4 Ų145.467%0.66880%0.799SS**  trans-60.9120.8173.5-84.8-30.4000109.7N614N612-N614 VanDerWaalsContact C-N 3.26Å; N612-N614 PolarHBondContact O-N 2.97Å
613P30.6Very low30.6Very low117 Ų117147.2 Ų147.276%0.7680%0.8SS**THydrogen-bonded Turntrans-88.423.317933.9-30.6000113.6V611V611-P613 WeakPolarHBondContact O-CD 3.45Å
614N32.3Very low30.7Very low145 Ų145146.7 Ų146.778%0.77580%0.801SS**THydrogen-bonded Turntrans-110.910.1-173.7-76.2-21.1000115.7N612N612-N614 VanDerWaalsContact C-N 3.26Å; N612-N614 PolarHBondContact O-N 2.97Å
615E32.4Very low30.5Very low174 Ų174144.9 Ų144.981%0.81380%0.799SS**  trans-112.149.8178.8-71.6-174.3163.200113.7
616L33Very low30.2Very low174 Ų174145.9 Ų145.991%0.91180%0.797SS**  trans-138.951.5163.9-78.3176.8000110.7
617L31.9Very low30.2Very low149 Ų149148.9 Ų148.978%0.7880%0.795SS**  trans-142.475.6168.2-81.7168.4000107.3
618N27.9Very low30.3Very low163 Ų163154.4 Ų154.487%0.87280%0.797SS**  trans17887155.1-88.4-18.3000109.9
619S30.6Very low30.4Very low125 Ų125152.1 Ų152.187%0.87479%0.794SS**  trans-142.267.4153.168.20000107
620S29.1Very low30.6Very low98 Ų98152 Ų15269%0.68579%0.794SS**  trans-93146.4162-58.80000107.4
621E29.5Very low30.8Very low186 Ų186156.1 Ų156.187%0.86980%0.799SS**  trans84.9100164.9-52.6-176.7174.300115.6
622E30.8Very low31Very low153 Ų153155.4 Ų155.472%0.71580%0.8SS**  -170.6127118.2-100.8-170.7163.300111.8
623K32.9Very low31.3Very low167 Ų167153.4 Ų153.473%0.72680%0.801SS**  trans69.9139.8147.3-58.8161.4-176.6154.90117.5
624S30.1Very low31.6Very low97 Ų97155.2 Ų155.268%0.67881%0.805SS**  cis176.1139.9-15.247.50000104.7
625C26.3Very low31.9Very low111 Ų111154.3 Ų154.375%0.7581%0.807SS**  trans51.7109147.3-57.70000120.1
626F30Very low32.3Very low188 Ų188152.4 Ų152.483%0.82581%0.811SS**  179.4115.597.8-110.7-85.4000110.8
627R27.2Very low32.8Very low237 Ų237152 Ų15289%0.89481%0.81SS**  trans-108.1102.1170.3-169.9-177.6-170.4-175.24.4106.5
628K33.9Very low33.4Very low191 Ų191158.4 Ų158.483%0.8383%0.831SS**  trans-100.4117.9163.2-96.7-176177.4177.80109.4
629K30.7Very low33.7Very low189 Ų189158.2 Ų158.282%0.82283%0.829SS**  trans-64.9137.4162.5-74.6169.4172172.20108.7
630S35.1Very low33.8Very low124 Ų124159.9 Ų159.987%0.86783%0.827SS**  trans-139.3126139.6520000108.5
631R30.5Very low34.1Very low236 Ų236163.4 Ų163.489%0.89184%0.835SS**  trans-96135171.2-76.2171.9162.2177.6-8106.9
632S37Very low34.4Very low114 Ų114162.1 Ų162.180%0.79783%0.833SS**  trans176.6107.1142.648.20000106.7
633A36.4Very low34.6Very low84 Ų84162.6 Ų162.669%0.69484%0.84SS**  74.6102.792.300000112.7
634N36.7Very low34.7Very low155 Ų155162.3 Ų162.383%0.82985%0.848SS**  170125.6121.8-85.1-13.9000110.8
635P37.5Very low35.1Very low126 Ų126167 Ų16782%0.81886%0.86SS**  trans-95.2130155.633.5-22.2000109
636C41.9Very low35.7Very low134 Ų134171.3 Ų171.391%0.90587%0.869SS**  trans-131.8129.2164.5-111.70000109.4
637N42.1Very low36.2Very low166 Ų166169.9 Ų169.989%0.88887%0.872SS**  trans-56.9144.4-178.5-72.6-30.8000114
638K45.5Very low37Very low283 Ų283163.8 Ų163.8100%1.2387%0.87SS**  -1400123.7-95.1-169.8179.7-178.10108.4

Retrieved 638 of 638 residues in 146 ms (Link to these results)

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