A0A5K4F0W5_SCHMA Loading...

UDENN domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0W5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,051 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
1M44.3Very low63.3Low84 Ų8464.6 Ų64.641%0.41433%0.327SS..  0129.70-152.8-174.7-16700108.5G70 Q217 W218 V219M1-G70 PolarHBondContact N-O 3.25Å; M1-Q217 VanDerWaalsContact CE-C 3.44Å; M1-Q217 HydrophobicContact CE-CB 3.41Å; M1-Q217 VanDerWaalsContact CE-CB 3.41Å; M1-Q217 WeakPolarHBondContact CE-O 3.08Å; M1-Q217 HydrophobicContact CG-CB 4.02Å; M1-Q217 VanDerWaalsContact CG-OE1 3.29Å; M1-Q217 HydrophobicContact SD-CB 3.99Å; M1-W218 VanDerWaalsContact CE-C 3.49Å; M1-W218 WeakPolarHBondContact CE-O 3.31Å; M1-V219 HydrophobicContact CE-CB 4Å; M1-V219 HydrophobicContact CE-CG1 3.27Å
2F56.6Low65Low26 Ų2659.6 Ų59.611%0.11430%0.302CS..  trans-103.5108.9-167.769.4-81.2000113.7L4 L72 F74 P93 V210 F222F2-L4 HydrophobicContact CD2-CD2 4.01Å; F2-L4 HydrophobicContact CD2-CG 4.32Å; F2-L4 HydrophobicContact CE2-CD2 4.02Å; F2-L4 HydrophobicContact CE2-CG 4.5Å; F2-L72 HydrophobicContact CB-CD1 4.29Å; F2-L72 HydrophobicContact CD1-CD1 3.59Å; F2-L72 HydrophobicContact CE1-CD1 4.41Å; F2-L72 HydrophobicContact CG-CD1 4.39Å; F2-F74 HydrophobicContact CB-CE2 4.29Å; F2-F74 HydrophobicContact CB-CZ 3.89Å; F2-F74 HydrophobicContact CD1-CZ 4.05Å; F2-F74 HydrophobicContact CD2-CZ 4.33Å; F2-F74 AromaticContact CG-CZ 3.87Å; F2-F74 HydrophobicContact CG-CZ 3.87Å; F2-P93 HydrophobicContact CD2-CB 4.22Å; F2-P93 HydrophobicContact CD2-CG 4.23Å; F2-V210 HydrophobicContact CE1-CG1 4.06Å; F2-V210 HydrophobicContact CZ-CB 4.36Å; F2-V210 HydrophobicContact CZ-CG1 3.69Å; F2-F222 HydrophobicContact CE1-CD1 4.14Å; F2-F222 AromaticContact CE1-CE1 3.75Å; F2-F222 HydrophobicContact CE1-CE1 3.75Å; F2-F222 HydrophobicContact CE1-CZ 4.16Å; F2-F222 HydrophobicContact CZ-CE1 4.2Å; F2-F222 HydrophobicContact CZ-CZ 4.24Å
3D59.4Low67Low55 Ų5555.1 Ų55.129%0.29428%0.279SS..  trans-77.7131.3152.9-164.8-39000108.1C5 V6D3-C5 PolarHBondContact O-N 2.98Å; D3-C5 WeakPolarHBondContact OD1-CA 3.44Å; D3-C5 WeakPolarHBondContact OD1-CB 3.43Å; D3-C5 PolarHBondContact OD1-N 3.41Å; D3-V6 HydrophobicContact CB-CB 3.91Å; D3-V6 HydrophobicContact CB-CG2 3.52Å
4L58.2Low68.7Low9 Ų955.1 Ų55.15%0.04728%0.277CS..SBendtrans-68.8-14.3177.8-63.4153.9000111.9F2 P93 P156 P161 Y163F2-L4 HydrophobicContact CD2-CD2 4.01Å; F2-L4 HydrophobicContact CD2-CG 4.32Å; F2-L4 HydrophobicContact CE2-CD2 4.02Å; F2-L4 HydrophobicContact CE2-CG 4.5Å; L4-P93 HydrophobicContact CD2-CB 4.49Å; L4-P93 HydrophobicContact CD2-CG 4.09Å; L4-P156 VanDerWaalsContact O-CG 3.25Å; L4-P156 WeakPolarHBondContact O-CG 3.26Å; L4-P161 HydrophobicContact CB-CB 4.43Å; L4-P161 HydrophobicContact CD1-CB 3.98Å; L4-Y163 HydrophobicContact CD2-CE2 3.73Å; L4-Y163 VanDerWaalsContact CD2-OH 3.27Å; L4-Y163 WeakPolarHBondContact CD2-OH 3.14Å
5C59.6Low70.5Confident12 Ų1251.7 Ų51.78%0.08126%0.26CS..SBendtrans-123-5.9-169.4-56.50000115.1D3 P158D3-C5 PolarHBondContact O-N 2.98Å; D3-C5 WeakPolarHBondContact OD1-CA 3.44Å; D3-C5 WeakPolarHBondContact OD1-CB 3.43Å; D3-C5 PolarHBondContact OD1-N 3.41Å; C5-P158 HydrophobicContact CB-CG 3.97Å
6V68.5Low72Confident63 Ų6348.8 Ų48.838%0.38225%0.245SC..  trans-69.3137.9172.8162.60000110D3 D8 F92D3-V6 HydrophobicContact CB-CB 3.91Å; D3-V6 HydrophobicContact CB-CG2 3.52Å; V6-D8 HydrophobicContact CG1-CB 4.2Å; V6-F92 WeakPolarHBondContact O-CE1 3.32Å
7R72.2Confident73.5Confident22 Ų2245.9 Ų45.98%0.08323%0.23CC..  trans-137.331.7-175-59.6-171.3-169.9173.70.4111.9L9 W94 P131 P132 I136 P156R7-L9 PolarHBondContact O-N 3.23Å; R7-W94 HydrophobicContact CG-CZ2 4.35Å; R7-P131 HydrophobicContact CB-CB 4.08Å; R7-P131 HydrophobicContact CB-CG 4.13Å; R7-P131 WeakPolarHBondContact O-CG 3.32Å; R7-P132 WeakPolarHBondContact CD-O 3.24Å; R7-P132 PolarHBondContact NH1-O 3.4Å; R7-I136 PolarHBondContact NH1-O 2.85Å; R7-I136 PolarHBondContact NH2-O 3.22Å; R7-P156 PolarHBondContact NH2-O 3.17Å
8D66.6Low74.7Confident139 Ų13943.3 Ų43.374%0.74322%0.218SC*.  trans-95.817.9-169.3-57.9-24.7000113.7V6V6-D8 HydrophobicContact CG1-CB 4.2Å
9L68.7Low75.7Confident71 Ų7141.1 Ų41.137%0.37221%0.206SC..SBendtrans-106.7155.2178.2-56.8171.4000110.8R7 K91 F92 P131R7-L9 PolarHBondContact O-N 3.23Å; L9-K91 HydrophobicContact CD1-CB 3.58Å; L9-K91 HydrophobicContact CD1-CD 3.99Å; L9-K91 HydrophobicContact CD1-CG 4.42Å; L9-F92 HydrophobicContact CB-CE1 4.43Å; L9-F92 HydrophobicContact CB-CE2 4.35Å; L9-F92 HydrophobicContact CB-CZ 3.74Å; L9-F92 HydrophobicContact CD1-CE1 4.15Å; L9-F92 HydrophobicContact CD1-CZ 4.16Å; L9-F92 HydrophobicContact CG-CE1 4.45Å; L9-F92 HydrophobicContact CG-CZ 4.24Å; L9-P131 WeakPolarHBondContact O-CD 3.27Å; L9-P131 WeakPolarHBondContact O-CG 3.44Å
10H65Low76.5Confident144 Ų14442.2 Ų42.267%0.66721%0.211SC*.SBendtrans-78.9-25.5-171.7-65.4-64.8000115.3
11H77.2Confident77Confident86 Ų8643.5 Ų43.540%0.39822%0.216SC..  trans-122.6137.7-169.8-56.3-67.9000111.1F92 I127H11-F92 WeakPolarHBondContact O-CE2 3.42Å; H11-I127 WeakPolarHBondContact CB-O 3.46Å; H11-I127 PolarHBondContact ND1-O 2.9Å
12T84.2Confident78.9Confident4 Ų441.3 Ų41.33%0.02522%0.215CC..SBendtrans-83.3-31.7178.2-66.10000112.5S90 W94 F98 A129 I139T12-S90 WeakPolarHBondContact O-CB 3.01Å; T12-S90 PolarHBondContact O-OG 3.48Å; T12-W94 HydrophobicContact CG2-CZ3 3.79Å; T12-F98 HydrophobicContact CG2-CE1 4.4Å; T12-F98 HydrophobicContact CG2-CZ 4.23Å; T12-A129 WeakPolarHBondContact CB-O 3.32Å; T12-A129 PolarHBondContact N-O 3Å; T12-A129 VanDerWaalsContact N-O 3.1Å; T12-A129 PolarHBondContact OG1-O 2.83Å; T12-I139 HydrophobicContact CG2-CD1 4.29Å
13I90.8Very high80Confident1 Ų148.2 Ų48.21%0.00525%0.253CS..  trans-130.2145.3175.8-71.2-178.9000108.5I88 F98 L101 L126 I127I13-I88 HydrophobicContact CD1-CD1 4.25Å; I13-I88 HydrophobicContact CD1-CG2 3.74Å; I13-I88 HydrophobicContact CG1-CG2 3.9Å; I13-I88 HydrophobicContact CG2-CG2 4.17Å; I13-F98 HydrophobicContact CD1-CD1 4.33Å; I13-F98 HydrophobicContact CD1-CE1 3.92Å; I13-F98 HydrophobicContact CG1-CD1 4.44Å; I13-F98 HydrophobicContact CG1-CE1 3.66Å; I13-F98 HydrophobicContact CG1-CZ 4.27Å; I13-L101 HydrophobicContact CD1-CD2 4.44Å; I13-L126 HydrophobicContact CD1-CB 4.04Å; I13-L126 HydrophobicContact CD1-CD1 3.76Å; I13-I127 HydrophobicContact CB-CG1 4.34Å; I13-I127 HydrophobicContact CG2-CG1 4.16Å
14E91.4Very high81Confident55 Ų5555.2 Ų55.226%0.25728%0.284SS..SBendtrans-91.2-47.9172.7-53.1-72.4139.100110.9S89 K91E14-S89 PolarHBondContact N-O 3.44Å; E14-K91 HydrophobicContact CG-CG 4.45Å; E14-K91 WeakPolarHBondContact OE1-CG 3.37Å; E14-K91 IonicContact OE1-NZ 2.66Å; E14-K91 PolarHBondContact OE1-NZ 3.38Å; E14-K91 IonicContact OE2-NZ 2.88Å; E14-K91 PolarHBondContact OE2-NZ 3.46Å
15Y94.7Very high82.2Confident4 Ų455.8 Ų55.82%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-161.2166.6178.363.2-102.9000113.2I17 Y32 L36 F40 R43 I44 E73 S89Y15-I17 HydrophobicContact CD2-CD1 3.94Å; Y15-I17 HydrophobicContact CD2-CG1 3.79Å; Y15-I17 HydrophobicContact CE2-CD1 3.54Å; Y15-I17 HydrophobicContact CE2-CG1 3.89Å; Y15-Y32 CarbonylContact C-O 3.56Å; Y15-Y32 VanDerWaalsContact CA-O 3.26Å; Y15-Y32 WeakPolarHBondContact CA-O 3.34Å; Y15-Y32 WeakPolarHBondContact CB-O 3.39Å; Y15-L36 HydrophobicContact CD1-CD1 3.85Å; Y15-L36 HydrophobicContact CD1-CD2 4.37Å; Y15-L36 HydrophobicContact CD2-CD2 3.79Å; Y15-L36 HydrophobicContact CE1-CD1 4.42Å; Y15-L36 HydrophobicContact CE2-CD2 4.27Å; Y15-L36 HydrophobicContact CG-CD1 3.99Å; Y15-L36 HydrophobicContact CG-CD2 3.83Å; Y15-F40 HydrophobicContact CD1-CD1 4.45Å; Y15-F40 HydrophobicContact CE1-CB 4.23Å; Y15-F40 AromaticContact CE1-CD1 3.65Å; Y15-F40 HydrophobicContact CE1-CD1 3.65Å; Y15-F40 HydrophobicContact CE1-CE1 4.44Å; Y15-F40 HydrophobicContact CE1-CG 4.26Å; Y15-R43 PolarHBondContact OH-NH2 2.78Å; Y15-I44 HydrophobicContact CE2-CD1 4.2Å; Y15-E73 VanDerWaalsContact CE1-OE1 3.26Å; Y15-E73 WeakPolarHBondContact CE1-OE1 2.93Å; Y15-S89 VanDerWaalsContact CE1-CB 3.41Å; Y15-S89 VanDerWaalsContact CZ-CB 3.49Å; Y15-S89 PolarHBondContact O-N 3.14Å
16Y95.7Very high83.4Confident5 Ų556.6 Ų56.62%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-124.3143.1171.1169.3-104.2000110.7L18 C31 Y32 L86 C87 I88 L102 L105 F123Y16-L18 HydrophobicContact CE1-CB 4.29Å; Y16-C31 CarbonylContact O-C 3.58Å; Y16-C31 WeakPolarHBondContact O-CA 3.4Å; Y16-Y32 PolarHBondContact N-O 3.14Å; Y16-Y32 PolarHBondContact O-N 2.68Å; Y16-L86 HydrophobicContact CE2-CB 4.46Å; Y16-C87 CarbonylContact C-O 3.59Å; Y16-C87 WeakPolarHBondContact CA-O 3.45Å; Y16-C87 WeakPolarHBondContact CD2-O 3.31Å; Y16-I88 HydrophobicContact CD2-CG1 3.84Å; Y16-L102 HydrophobicContact CE2-CD2 4.32Å; Y16-L105 HydrophobicContact CE2-CD1 4.17Å; Y16-F123 HydrophobicContact CD1-CD2 4.3Å; Y16-F123 HydrophobicContact CD1-CE1 4.33Å; Y16-F123 AromaticContact CD1-CE2 3.63Å; Y16-F123 HydrophobicContact CD1-CE2 3.63Å; Y16-F123 AromaticContact CD1-CZ 3.64Å; Y16-F123 HydrophobicContact CD1-CZ 3.64Å; Y16-F123 AromaticContact CD2-CE1 3.89Å; Y16-F123 HydrophobicContact CD2-CE1 3.89Å; Y16-F123 HydrophobicContact CD2-CE2 4.39Å; Y16-F123 AromaticContact CD2-CZ 3.56Å; Y16-F123 HydrophobicContact CD2-CZ 3.56Å; Y16-F123 AromaticContact CE1-CE2 3.86Å; Y16-F123 HydrophobicContact CE1-CE2 3.86Å; Y16-F123 AromaticContact CE1-CZ 3.93Å; Y16-F123 HydrophobicContact CE1-CZ 3.93Å; Y16-F123 AromaticContact CE2-CZ 3.86Å; Y16-F123 HydrophobicContact CE2-CZ 3.86Å; Y16-F123 HydrophobicContact CG-CD1 4.43Å; Y16-F123 AromaticContact CG-CE1 3.75Å; Y16-F123 HydrophobicContact CG-CE1 3.75Å; Y16-F123 AromaticContact CG-CE2 3.91Å; Y16-F123 HydrophobicContact CG-CE2 3.91Å; Y16-F123 AromaticContact CG-CZ 3.44Å; Y16-F123 HydrophobicContact CG-CZ 3.44Å; Y16-F123 VanDerWaalsContact CG-CZ 3.44Å
17I96.1Very high84.5Confident0 Ų056.4 Ų56.40%030%0.302CS..EExtended strand (participates in β ladder)trans-138.2141172.6-48.4171.7000110.1Y15 Y19 V28 R30 C31 L36 I41 I44 C87Y15-I17 HydrophobicContact CD2-CD1 3.94Å; Y15-I17 HydrophobicContact CD2-CG1 3.79Å; Y15-I17 HydrophobicContact CE2-CD1 3.54Å; Y15-I17 HydrophobicContact CE2-CG1 3.89Å; I17-Y19 HydrophobicContact CB-CD2 4.45Å; I17-Y19 HydrophobicContact CB-CE2 3.87Å; I17-Y19 HydrophobicContact CD1-CE2 4.34Å; I17-Y19 HydrophobicContact CG2-CD2 3.82Å; I17-Y19 HydrophobicContact CG2-CE1 4.29Å; I17-Y19 HydrophobicContact CG2-CE2 3.41Å; I17-Y19 VanDerWaalsContact CG2-CE2 3.41Å; I17-Y19 HydrophobicContact CG2-CG 4.39Å; I17-V28 HydrophobicContact CG2-CG1 4.05Å; I17-V28 HydrophobicContact CG2-CG2 3.96Å; I17-R30 CarbonylContact C-O 3.56Å; I17-R30 WeakPolarHBondContact CA-O 3.2Å; I17-C31 HydrophobicContact CG1-CB 4.35Å; I17-L36 HydrophobicContact CD1-CD2 3.84Å; I17-L36 HydrophobicContact CG1-CD2 3.92Å; I17-I41 HydrophobicContact CD1-CG1 3.99Å; I17-I44 HydrophobicContact CD1-CD1 3.95Å; I17-C87 HydrophobicContact CB-CB 4.38Å; I17-C87 PolarHBondContact N-O 2.92Å; I17-C87 PolarHBondContact O-N 3.46Å
18L95.8Very high85.4Confident0 Ų057.8 Ų57.80%031%0.313CS..EExtended strand (participates in β ladder)trans-117.2116167173.364.7000108.9Y16 K29 R30 F84 L86 Y111Y16-L18 HydrophobicContact CE1-CB 4.29Å; L18-K29 HydrophobicContact CD2-CB 4.29Å; L18-K29 HydrophobicContact CD2-CD 3.84Å; L18-K29 HydrophobicContact CG-CB 4.17Å; L18-K29 HydrophobicContact CG-CD 4.44Å; L18-K29 PolarHBondContact O-N 3.25Å; L18-R30 HydrophobicContact CB-CB 4.39Å; L18-R30 PolarHBondContact N-O 2.68Å; L18-R30 PolarHBondContact O-N 3.07Å; L18-F84 HydrophobicContact CD1-CD1 4.08Å; L18-L86 HydrophobicContact CD1-CD1 3.65Å; L18-L86 HydrophobicContact CD1-CG 3.8Å; L18-Y111 HydrophobicContact CD2-CD2 4.37Å; L18-Y111 WeakPolarHBondContact CD2-O 3.21Å
19Y94Very high86.7Confident0 Ų054.6 Ų54.60%029%0.292CS..EExtended strand (participates in β ladder)trans-96.5148.4170.7-56.8-101000110.9I17 A27 V28 I41 I44 I45 L85I17-Y19 HydrophobicContact CB-CD2 4.45Å; I17-Y19 HydrophobicContact CB-CE2 3.87Å; I17-Y19 HydrophobicContact CD1-CE2 4.34Å; I17-Y19 HydrophobicContact CG2-CD2 3.82Å; I17-Y19 HydrophobicContact CG2-CE1 4.29Å; I17-Y19 HydrophobicContact CG2-CE2 3.41Å; I17-Y19 VanDerWaalsContact CG2-CE2 3.41Å; I17-Y19 HydrophobicContact CG2-CG 4.39Å; Y19-A27 CarbonylContact C-O 3.54Å; Y19-A27 VanDerWaalsContact CA-O 3.24Å; Y19-A27 WeakPolarHBondContact CA-O 3.47Å; Y19-V28 HydrophobicContact CD1-CG2 3.87Å; Y19-V28 HydrophobicContact CE1-CG2 3.65Å; Y19-I41 HydrophobicContact CE1-CG2 4.17Å; Y19-I41 PolarHBondContact OH-O 3.12Å; Y19-I44 HydrophobicContact CE2-CG2 4.02Å; Y19-I44 WeakPolarHBondContact OH-CB 3.32Å; Y19-I45 HydrophobicContact CD1-CD1 4.45Å; Y19-I45 HydrophobicContact CD1-CG1 4.15Å; Y19-I45 HydrophobicContact CE1-CD1 3.99Å; Y19-I45 HydrophobicContact CE1-CG1 3.64Å; Y19-L85 HydrophobicContact CD2-CB 4.4Å; Y19-L85 HydrophobicContact CD2-CD2 3.93Å; Y19-L85 HydrophobicContact CD2-CG 4.35Å; Y19-L85 HydrophobicContact CE2-CD2 4.38Å; Y19-L85 PolarHBondContact N-O 3.47Å; Y19-L85 PolarHBondContact O-N 2.97Å
20E92.1Very high87.8Confident63 Ų6353.3 Ų53.329%0.29428%0.282SS..EExtended strand (participates in β ladder)trans-129.9127.2174.1-173.6168.7-125.100109.2G22 A27 K29 R83 F84E20-G22 PolarHBondContact O-N 2.81Å; E20-A27 PolarHBondContact N-O 3.44Å; E20-A27 PolarHBondContact O-N 3.32Å; E20-K29 HydrophobicContact CB-CB 4.03Å; E20-K29 HydrophobicContact CB-CD 4.46Å; E20-K29 HydrophobicContact CB-CG 4.5Å; E20-K29 IonicContact OE1-NZ 3.09Å; E20-K29 PolarHBondContact OE1-NZ 2.89Å; E20-K29 WeakPolarHBondContact OE2-CD 3.16Å; E20-K29 IonicContact OE2-NZ 2.94Å; E20-K29 PolarHBondContact OE2-NZ 3.37Å; E20-R83 CarbonylContact C-O 3.56Å; E20-R83 WeakPolarHBondContact CA-O 3.39Å; E20-F84 HydrophobicContact CB-CD1 4.31Å; E20-F84 HydrophobicContact CB-CE1 4.08Å; E20-F84 HydrophobicContact CG-CD1 4.29Å; E20-F84 HydrophobicContact CG-CE1 3.7Å; E20-F84 HydrophobicContact CG-CZ 4.2Å; E20-F84 WeakPolarHBondContact OE1-CE1 3.44Å; E20-F84 WeakPolarHBondContact OE1-CZ 3.17Å
21Q86.6Confident89.2Confident70 Ų7047.5 Ų47.533%0.32726%0.258SS..EExtended strand (participates in β ladder)trans-77.2107178.9-176.267.439.300109.8R83Q21-R83 PolarHBondContact N-O 2.92Å
22G83.4Confident90.1Very high38 Ų3845 Ų4539%0.39225%0.245SC..EExtended strand (participates in β ladder)trans-97.7179.2170.400000112.7E20 H24 G25E20-G22 PolarHBondContact O-N 2.81Å; G22-H24 PolarHBondContact O-N 2.89Å; G22-H24 VanDerWaalsContact O-N 3.16Å; G22-G25 PolarHBondContact N-O 3.09Å; G22-G25 PolarHBondContact O-N 3.27Å; G22-G25 VanDerWaalsContact O-N 3.07Å
23D80.1Confident90.5Very high171 Ų17146.6 Ų46.691%0.91426%0.256SS*.THydrogen-bonded Turntrans-63.9-18.9-179.2-58.8-42.6000113.7
24H80.4Confident90.5Very high202 Ų20250.8 Ų50.894%0.93529%0.285SS*.THydrogen-bonded Turntrans-101.75.2178.2-59.7-28.4000113.6G22G22-H24 PolarHBondContact O-N 2.89Å; G22-H24 VanDerWaalsContact O-N 3.16Å
25G83.1Confident90.5Very high21 Ų2154.9 Ų54.922%0.21631%0.309CS..EExtended strand (participates in β ladder)trans118.2-177.9-174.300000113.3G22 A27G22-G25 PolarHBondContact N-O 3.09Å; G22-G25 PolarHBondContact O-N 3.27Å; G22-G25 VanDerWaalsContact O-N 3.07Å; G25-A27 PolarHBondContact O-N 3.04Å
26P86Confident90.4Very high30 Ų3056 Ų5620%0.19532%0.315CS..EExtended strand (participates in β ladder)trans-71.6119.4174.629.2-33.1000110.8I45 F49P26-I45 HydrophobicContact CG-CG1 4.4Å; P26-I45 HydrophobicContact CG-CG2 3.56Å; P26-F49 HydrophobicContact CB-CD2 4.01Å; P26-F49 HydrophobicContact CB-CE1 4.41Å; P26-F49 HydrophobicContact CB-CE2 3.51Å; P26-F49 HydrophobicContact CB-CZ 3.75Å; P26-F49 HydrophobicContact CG-CD2 3.71Å; P26-F49 HydrophobicContact CG-CE2 3.77Å; P26-F49 HydrophobicContact CG-CG 4.25Å; P26-F49 HydrophobicContact CG-CZ 4.34Å
27A89.7Confident90.2Very high58 Ų5858.7 Ų58.748%0.47933%0.334SS..EExtended strand (participates in β ladder)trans-104.2155.7172.700000110.4Y19 E20 G25 K29Y19-A27 CarbonylContact C-O 3.54Å; Y19-A27 VanDerWaalsContact CA-O 3.24Å; Y19-A27 WeakPolarHBondContact CA-O 3.47Å; E20-A27 PolarHBondContact N-O 3.44Å; E20-A27 PolarHBondContact O-N 3.32Å; G25-A27 PolarHBondContact O-N 3.04Å; A27-K29 PolarHBondContact O-N 3.22Å
28V92.6Very high89.9Confident52 Ų5264.1 Ų64.132%0.31536%0.363SS..EExtended strand (participates in β ladder)trans-75.1117.4167.3173.20000108.6I17 Y19 R30 C31 I41I17-V28 HydrophobicContact CG2-CG1 4.05Å; I17-V28 HydrophobicContact CG2-CG2 3.96Å; Y19-V28 HydrophobicContact CD1-CG2 3.87Å; Y19-V28 HydrophobicContact CE1-CG2 3.65Å; V28-R30 VanDerWaalsContact CG1-C 3.46Å; V28-R30 WeakPolarHBondContact CG1-O 3.17Å; V28-C31 HydrophobicContact CG1-CB 4.32Å; V28-I41 HydrophobicContact CG2-CB 4.37Å; V28-I41 HydrophobicContact CG2-CD1 4.31Å; V28-I41 HydrophobicContact CG2-CG1 4.2Å; V28-I41 HydrophobicContact CG2-CG2 3.33Å
29K92.7Very high89.7Confident71 Ų7168.9 Ų68.931%0.30939%0.392SS..EExtended strand (participates in β ladder)trans-78.9-34.5169.1-162.7-169.1-17380.60110.7L18 E20 A27 F84 D113L18-K29 HydrophobicContact CD2-CB 4.29Å; L18-K29 HydrophobicContact CD2-CD 3.84Å; L18-K29 HydrophobicContact CG-CB 4.17Å; L18-K29 HydrophobicContact CG-CD 4.44Å; L18-K29 PolarHBondContact O-N 3.25Å; E20-K29 HydrophobicContact CB-CB 4.03Å; E20-K29 HydrophobicContact CB-CD 4.46Å; E20-K29 HydrophobicContact CB-CG 4.5Å; E20-K29 IonicContact OE1-NZ 3.09Å; E20-K29 PolarHBondContact OE1-NZ 2.89Å; E20-K29 WeakPolarHBondContact OE2-CD 3.16Å; E20-K29 IonicContact OE2-NZ 2.94Å; E20-K29 PolarHBondContact OE2-NZ 3.37Å; A27-K29 PolarHBondContact O-N 3.22Å; K29-F84 HydrophobicContact CD-CE1 4.44Å; K29-D113 VanDerWaalsContact CE-OD2 3.28Å; K29-D113 WeakPolarHBondContact CE-OD2 3.44Å
30R93.2Very high89.5Confident44 Ų4472.5 Ų72.517%0.16641%0.408CS..EExtended strand (participates in β ladder)trans-161145.1177.9-176171.8-74.598.88.6112.4I17 L18 V28 D113 W116I17-R30 CarbonylContact C-O 3.56Å; I17-R30 WeakPolarHBondContact CA-O 3.2Å; L18-R30 HydrophobicContact CB-CB 4.39Å; L18-R30 PolarHBondContact N-O 2.68Å; L18-R30 PolarHBondContact O-N 3.07Å; V28-R30 VanDerWaalsContact CG1-C 3.46Å; V28-R30 WeakPolarHBondContact CG1-O 3.17Å; R30-D113 IonicContact CZ-OD1 3.47Å; R30-D113 IonicContact NH1-OD1 3.26Å; R30-D113 PolarHBondContact NH1-OD1 3.16Å; R30-D113 IonicContact NH2-OD1 3.4Å; R30-D113 PolarHBondContact NH2-OD1 3.43Å; R30-W116 HydrophobicContact CG-CH2 4.44Å; R30-W116 HydrophobicContact CG-CZ3 4.48Å
31C94.3Very high89.4Confident23 Ų2370.5 Ų70.516%0.15540%0.399CS..EExtended strand (participates in β ladder)trans-127.7159.2164.754.40000110.6Y16 I17 V28 L36Y16-C31 CarbonylContact O-C 3.58Å; Y16-C31 WeakPolarHBondContact O-CA 3.4Å; I17-C31 HydrophobicContact CG1-CB 4.35Å; V28-C31 HydrophobicContact CG1-CB 4.32Å; C31-L36 HydrophobicContact CB-CD2 4.28Å
32Y94.5Very high89.5Confident34 Ų3472.9 Ų72.913%0.13341%0.41CS..EExtended strand (participates in β ladder)trans-147.6127168.2-173-93.1000110.3Y15 Y16 W116 E120 F123 S124 I127Y15-Y32 CarbonylContact C-O 3.56Å; Y15-Y32 VanDerWaalsContact CA-O 3.26Å; Y15-Y32 WeakPolarHBondContact CA-O 3.34Å; Y15-Y32 WeakPolarHBondContact CB-O 3.39Å; Y16-Y32 PolarHBondContact N-O 3.14Å; Y16-Y32 PolarHBondContact O-N 2.68Å; Y32-W116 HydrophobicContact CD2-CH2 4.15Å; Y32-W116 AromaticContact CD2-CZ2 3.99Å; Y32-W116 HydrophobicContact CD2-CZ2 3.99Å; Y32-W116 HydrophobicContact CG-CH2 4.26Å; Y32-E120 HydrophobicContact CD2-CG 4.07Å; Y32-E120 HydrophobicContact CE2-CG 3.66Å; Y32-F123 HydrophobicContact CD1-CB 3.47Å; Y32-F123 VanDerWaalsContact CD1-CB 3.47Å; Y32-F123 HydrophobicContact CD1-CG 4.41Å; Y32-F123 HydrophobicContact CE1-CB 3.74Å; Y32-F123 HydrophobicContact CG-CB 4.1Å; Y32-S124 WeakPolarHBondContact OH-CA 3.32Å; Y32-S124 WeakPolarHBondContact OH-CB 3.21Å; Y32-S124 PolarHBondContact OH-OG 2.91Å; Y32-I127 HydrophobicContact CD1-CD1 3.81Å; Y32-I127 HydrophobicContact CE1-CD1 3.7Å; Y32-I127 HydrophobicContact CE1-CG1 4.48Å
33P94.4Very high89.8Confident37 Ų3773.6 Ų73.624%0.2440%0.401CS..SBendcis-58.6156.1-2.9-24.737000113.6D35 L36 I127P33-D35 VanDerWaalsContact C-N 3.28Å; P33-D35 WeakPolarHBondContact CB-OD1 3.3Å; P33-D35 PolarHBondContact O-N 3.41Å; P33-L36 VanDerWaalsContact O-CB 3.31Å; P33-L36 WeakPolarHBondContact O-CB 3.4Å; P33-L36 PolarHBondContact O-N 3.12Å; P33-I127 HydrophobicContact CG-CD1 3.92Å
34S90.3Very high90.4Very high88 Ų8865.5 Ų65.562%0.61536%0.358SS*.THydrogen-bonded Turntrans-77.4-14.3-174.5-55.60000113.7L36S34-L36 VanDerWaalsContact C-N 3.35Å
35D91.5Very high90.8Very high142 Ų14258 Ų5876%0.75932%0.324SS*.THydrogen-bonded Turntrans-91.912.2173.660.8-46.7000113.3P33 S37P33-D35 VanDerWaalsContact C-N 3.28Å; P33-D35 WeakPolarHBondContact CB-OD1 3.3Å; P33-D35 PolarHBondContact O-N 3.41Å; D35-S37 PolarHBondContact O-N 3.2Å
36L91.4Very high90.8Very high27 Ų2760.3 Ų60.314%0.14133%0.329CS..  trans-60.8115.6177.6-176.669.9000111.6Y15 I17 C31 P33 S34 F40 I41Y15-L36 HydrophobicContact CD1-CD1 3.85Å; Y15-L36 HydrophobicContact CD1-CD2 4.37Å; Y15-L36 HydrophobicContact CD2-CD2 3.79Å; Y15-L36 HydrophobicContact CE1-CD1 4.42Å; Y15-L36 HydrophobicContact CE2-CD2 4.27Å; Y15-L36 HydrophobicContact CG-CD1 3.99Å; Y15-L36 HydrophobicContact CG-CD2 3.83Å; I17-L36 HydrophobicContact CD1-CD2 3.84Å; I17-L36 HydrophobicContact CG1-CD2 3.92Å; C31-L36 HydrophobicContact CB-CD2 4.28Å; P33-L36 VanDerWaalsContact O-CB 3.31Å; P33-L36 WeakPolarHBondContact O-CB 3.4Å; P33-L36 PolarHBondContact O-N 3.12Å; S34-L36 VanDerWaalsContact C-N 3.35Å; L36-F40 HydrophobicContact CD1-CB 3.86Å; L36-F40 HydrophobicContact CD1-CD2 4.02Å; L36-F40 HydrophobicContact CD1-CG 3.91Å; L36-F40 HydrophobicContact CD2-CB 4.26Å; L36-F40 HydrophobicContact CG-CB 4.01Å; L36-I41 HydrophobicContact CD2-CG1 4.32Å
37S91.8Very high91Very high62 Ų6260 Ų6043%0.43433%0.325SS..  trans-58.7139.6-178.6175.30000113.5D35 V39 F40D35-S37 PolarHBondContact O-N 3.2Å; S37-V39 PolarHBondContact O-N 2.88Å; S37-F40 WeakPolarHBondContact O-CB 3.33Å; S37-F40 PolarHBondContact O-N 3.23Å
38D90Very high90.6Very high113 Ų11357.2 Ų57.260%0.60430%0.302SS*.Hα-helixtrans-49.7-29.2-179.5-57.9-56.7000114.5F40 I41 E42D38-F40 PolarHBondContact O-N 3.43Å; D38-I41 CarbonylContact O-C 3.54Å; D38-I41 WeakPolarHBondContact O-CA 3.43Å; D38-I41 WeakPolarHBondContact O-CB 3.35Å; D38-I41 PolarHBondContact O-N 3Å; D38-E42 PolarHBondContact O-N 3.35Å
39V90.8Very high89.9Confident101 Ų10157.5 Ų57.561%0.61230%0.299SS*.Hα-helixtrans-58.5-33.8176.7-177.50000111.9S37 R43S37-V39 PolarHBondContact O-N 2.88Å; V39-R43 WeakPolarHBondContact O-CB 3.43Å; V39-R43 VanDerWaalsContact O-CD 3.31Å; V39-R43 WeakPolarHBondContact O-CD 3.42Å; V39-R43 WeakPolarHBondContact O-CG 3.47Å
40F90.9Very high89.1Confident76 Ų7655 Ų5533%0.33329%0.291SS..Hα-helixtrans-76.2-26.1175.6-67.2-87.7000112.7Y15 L36 S37 D38 I44Y15-F40 HydrophobicContact CD1-CD1 4.45Å; Y15-F40 HydrophobicContact CE1-CB 4.23Å; Y15-F40 AromaticContact CE1-CD1 3.65Å; Y15-F40 HydrophobicContact CE1-CD1 3.65Å; Y15-F40 HydrophobicContact CE1-CE1 4.44Å; Y15-F40 HydrophobicContact CE1-CG 4.26Å; L36-F40 HydrophobicContact CD1-CB 3.86Å; L36-F40 HydrophobicContact CD1-CD2 4.02Å; L36-F40 HydrophobicContact CD1-CG 3.91Å; L36-F40 HydrophobicContact CD2-CB 4.26Å; L36-F40 HydrophobicContact CG-CB 4.01Å; S37-F40 WeakPolarHBondContact O-CB 3.33Å; S37-F40 PolarHBondContact O-N 3.23Å; D38-F40 PolarHBondContact O-N 3.43Å; F40-I44 WeakPolarHBondContact O-CD1 3.17Å
41I89.9Confident88.3Confident21 Ų2154.3 Ų54.311%0.10829%0.292CS..Hα-helixtrans-83.1-53.8-177.9-72.8164.7000111.4I17 Y19 V28 L36 D38 R43 I44I17-I41 HydrophobicContact CD1-CG1 3.99Å; Y19-I41 HydrophobicContact CE1-CG2 4.17Å; Y19-I41 PolarHBondContact OH-O 3.12Å; V28-I41 HydrophobicContact CG2-CB 4.37Å; V28-I41 HydrophobicContact CG2-CD1 4.31Å; V28-I41 HydrophobicContact CG2-CG1 4.2Å; V28-I41 HydrophobicContact CG2-CG2 3.33Å; L36-I41 HydrophobicContact CD2-CG1 4.32Å; D38-I41 CarbonylContact O-C 3.54Å; D38-I41 WeakPolarHBondContact O-CA 3.43Å; D38-I41 WeakPolarHBondContact O-CB 3.35Å; D38-I41 PolarHBondContact O-N 3Å; I41-R43 PolarHBondContact O-N 3.47Å; I41-I44 PolarHBondContact O-N 2.86Å
42E88.3Confident86.9Confident120 Ų12061.1 Ų61.156%0.56133%0.327SS*.Hα-helixtrans-63.8-40.9-174.9-69.5-163.9135.500111.3D38 I44 I45D38-E42 PolarHBondContact O-N 3.35Å; E42-I44 PolarHBondContact O-N 2.73Å; E42-I45 PolarHBondContact O-N 3.38Å; E42-I45 VanDerWaalsContact O-N 3.16Å
43R90.5Very high85.4Confident53 Ų5366.2 Ų66.220%0.236%0.356CS..Hα-helixtrans-61.7-18.8-175.572.8-179.9-176157.68.7114.9Y15 V39 I41 F47 F65 E73Y15-R43 PolarHBondContact OH-NH2 2.78Å; V39-R43 WeakPolarHBondContact O-CB 3.43Å; V39-R43 VanDerWaalsContact O-CD 3.31Å; V39-R43 WeakPolarHBondContact O-CD 3.42Å; V39-R43 WeakPolarHBondContact O-CG 3.47Å; I41-R43 PolarHBondContact O-N 3.47Å; R43-F47 WeakPolarHBondContact O-CD2 3.27Å; R43-F47 WeakPolarHBondContact O-CE2 3.19Å; R43-F65 HydrophobicContact CB-CE1 4.25Å; R43-F65 HydrophobicContact CB-CZ 4.2Å; R43-F65 HydrophobicContact CG-CE1 4.05Å; R43-F65 HydrophobicContact CG-CE2 4.2Å; R43-F65 HydrophobicContact CG-CZ 3.67Å; R43-E73 IonicContact CZ-OE1 3.25Å; R43-E73 IonicContact CZ-OE2 3.58Å; R43-E73 VanDerWaalsContact CZ-OE2 3.27Å; R43-E73 IonicContact NH1-OE2 3.69Å; R43-E73 PolarHBondContact NH1-OE2 3.44Å; R43-E73 IonicContact NH2-OE1 3.94Å; R43-E73 PolarHBondContact NH2-OE1 2.9Å; R43-E73 IonicContact NH2-OE2 3.81Å; R43-E73 PolarHBondContact NH2-OE2 2.86Å
44I92.5Very high83.5Confident0 Ų073.7 Ų73.70%038%0.38CS..Hα-helixtrans-85.6-32.8179.8-70.4165.8000111.6Y15 I17 Y19 F40 I41 E42 E46 F47 A48 I63 F65 V75 L85Y15-I44 HydrophobicContact CE2-CD1 4.2Å; I17-I44 HydrophobicContact CD1-CD1 3.95Å; Y19-I44 HydrophobicContact CE2-CG2 4.02Å; Y19-I44 WeakPolarHBondContact OH-CB 3.32Å; F40-I44 WeakPolarHBondContact O-CD1 3.17Å; I41-I44 PolarHBondContact O-N 2.86Å; E42-I44 PolarHBondContact O-N 2.73Å; I44-E46 VanDerWaalsContact C-N 3.29Å; I44-E46 PolarHBondContact O-N 2.82Å; I44-F47 PolarHBondContact O-N 3.3Å; I44-F47 VanDerWaalsContact O-N 3.15Å; I44-A48 PolarHBondContact O-N 2.86Å; I44-I63 HydrophobicContact CG2-CD1 4.06Å; I44-F65 HydrophobicContact CG1-CE2 4.3Å; I44-F65 HydrophobicContact CG1-CZ 4.45Å; I44-V75 HydrophobicContact CD1-CG1 3.9Å; I44-V75 HydrophobicContact CG1-CG1 4.41Å; I44-L85 HydrophobicContact CG2-CD2 4.31Å
45I88Confident82.2Confident46 Ų4671.2 Ų71.224%0.23636%0.357CS..Hα-helixtrans-57.1-42.9-171-69.8173000111.4Y19 P26 E42 F47 A48 F49Y19-I45 HydrophobicContact CD1-CD1 4.45Å; Y19-I45 HydrophobicContact CD1-CG1 4.15Å; Y19-I45 HydrophobicContact CE1-CD1 3.99Å; Y19-I45 HydrophobicContact CE1-CG1 3.64Å; P26-I45 HydrophobicContact CG-CG1 4.4Å; P26-I45 HydrophobicContact CG-CG2 3.56Å; E42-I45 PolarHBondContact O-N 3.38Å; E42-I45 VanDerWaalsContact O-N 3.16Å; I45-F47 PolarHBondContact O-N 3.48Å; I45-A48 PolarHBondContact O-N 2.88Å; I45-F49 HydrophobicContact CG2-CD2 4.32Å; I45-F49 WeakPolarHBondContact O-CD2 3.32Å; I45-F49 PolarHBondContact O-N 2.79Å
46E84.6Confident80.5Confident68 Ų6870.7 Ų70.732%0.31835%0.354SS..Hα-helixtrans-66.2-22.8-175.5-49.8-163.5165.800114.2I44 P227 K229I44-E46 VanDerWaalsContact C-N 3.29Å; I44-E46 PolarHBondContact O-N 2.82Å; E46-P227 HydrophobicContact CB-CB 3.99Å; E46-P227 HydrophobicContact CB-CG 4.5Å; E46-P227 WeakPolarHBondContact O-CB 3.24Å; E46-K229 WeakPolarHBondContact OE1-CD 3.29Å; E46-K229 VanDerWaalsContact OE1-CE 3.26Å; E46-K229 WeakPolarHBondContact OE1-CE 3.46Å; E46-K229 IonicContact OE1-NZ 2.77Å; E46-K229 PolarHBondContact OE1-NZ 3.16Å; E46-K229 VanDerWaalsContact OE2-CD 3.3Å; E46-K229 WeakPolarHBondContact OE2-CD 3.38Å; E46-K229 IonicContact OE2-NZ 2.69Å
47F88.3Confident79.7Confident23 Ų2370.5 Ų70.510%0.10135%0.354CS..Hα-helixtrans-84.3-42.3-178.8-69.2-112.4000111.4R43 I44 I45 I63 F65 L225 P227R43-F47 WeakPolarHBondContact O-CD2 3.27Å; R43-F47 WeakPolarHBondContact O-CE2 3.19Å; I44-F47 PolarHBondContact O-N 3.3Å; I44-F47 VanDerWaalsContact O-N 3.15Å; I45-F47 PolarHBondContact O-N 3.48Å; F47-I63 HydrophobicContact CB-CD1 3.52Å; F47-I63 HydrophobicContact CB-CG1 3.93Å; F47-I63 HydrophobicContact CD1-CB 4.33Å; F47-I63 HydrophobicContact CD1-CD1 4.2Å; F47-I63 HydrophobicContact CD1-CG1 3.89Å; F47-I63 HydrophobicContact CD1-CG2 3.56Å; F47-I63 HydrophobicContact CD2-CD1 4.44Å; F47-I63 HydrophobicContact CE1-CG2 3.47Å; F47-I63 VanDerWaalsContact CE1-CG2 3.47Å; F47-I63 HydrophobicContact CE2-CG2 4.45Å; F47-I63 HydrophobicContact CG-CD1 3.84Å; F47-I63 HydrophobicContact CG-CG1 4.06Å; F47-I63 HydrophobicContact CG-CG2 4.1Å; F47-I63 HydrophobicContact CZ-CG2 3.96Å; F47-F65 AromaticContact CE2-CE1 3.91Å; F47-F65 HydrophobicContact CE2-CE1 3.91Å; F47-F65 HydrophobicContact CE2-CZ 4.02Å; F47-F65 AromaticContact CZ-CE1 3.81Å; F47-F65 HydrophobicContact CZ-CE1 3.81Å; F47-F65 HydrophobicContact CZ-CZ 4.16Å; F47-L225 HydrophobicContact CB-CD2 4.03Å; F47-L225 HydrophobicContact CD1-CB 4.3Å; F47-L225 HydrophobicContact CD1-CD2 4.3Å; F47-L225 HydrophobicContact CD1-CG 4.07Å; F47-L225 VanDerWaalsContact CE1-O 3.32Å; F47-L225 WeakPolarHBondContact CE1-O 3.41Å; F47-P227 HydrophobicContact CD1-CG 4.37Å; F47-P227 HydrophobicContact CD2-CB 4.37Å; F47-P227 HydrophobicContact CD2-CG 3.99Å; F47-P227 HydrophobicContact CE1-CG 4.16Å; F47-P227 HydrophobicContact CE2-CG 3.75Å; F47-P227 HydrophobicContact CG-CB 4.45Å; F47-P227 HydrophobicContact CG-CG 4.3Å; F47-P227 HydrophobicContact CZ-CG 3.84Å
48A81.3Confident79.6Confident0 Ų068.8 Ų68.80%034%0.341CS..Hα-helixtrans-73.7-49.6-175.500000112I44 I45 C50 R55 F61 L85I44-A48 PolarHBondContact O-N 2.86Å; I45-A48 PolarHBondContact O-N 2.88Å; A48-C50 VanDerWaalsContact C-N 3.27Å; A48-C50 PolarHBondContact O-N 2.8Å; A48-R55 PolarHBondContact O-NH1 2.98Å; A48-F61 HydrophobicContact CB-CZ 3.81Å; A48-L85 HydrophobicContact CB-CD1 4.28Å; A48-L85 HydrophobicContact CB-CD2 3.49Å; A48-L85 VanDerWaalsContact CB-CD2 3.49Å
49F79.1Confident79.7Confident58 Ų5863.5 Ų63.525%0.25431%0.313SS..THydrogen-bonded Turntrans-94.437.7-172-56.5-82.9000112.1P26 I45 C51 L85P26-F49 HydrophobicContact CB-CD2 4.01Å; P26-F49 HydrophobicContact CB-CE1 4.41Å; P26-F49 HydrophobicContact CB-CE2 3.51Å; P26-F49 HydrophobicContact CB-CZ 3.75Å; P26-F49 HydrophobicContact CG-CD2 3.71Å; P26-F49 HydrophobicContact CG-CE2 3.77Å; P26-F49 HydrophobicContact CG-CG 4.25Å; P26-F49 HydrophobicContact CG-CZ 4.34Å; I45-F49 HydrophobicContact CG2-CD2 4.32Å; I45-F49 WeakPolarHBondContact O-CD2 3.32Å; I45-F49 PolarHBondContact O-N 2.79Å; F49-C51 VanDerWaalsContact C-N 3.28Å; F49-C51 PolarHBondContact O-N 3.21Å; F49-L85 HydrophobicContact CE2-CD2 4.07Å; F49-L85 HydrophobicContact CZ-CB 4.36Å; F49-L85 HydrophobicContact CZ-CD2 4.45Å
50C76.5Confident79.8Confident20 Ų2061.4 Ų61.414%0.13530%0.297CS..  trans-74.9-4-167.267.60000116.2A48 R55 C247A48-C50 VanDerWaalsContact C-N 3.27Å; A48-C50 PolarHBondContact O-N 2.8Å; C50-R55 PolarHBondContact SG-NH2 3.27Å; C50-C247 PolarHBondContact O-SG 3.36Å; C50-C247 VanDerWaalsContact O-SG 3.34Å
51C74.8Confident80Confident28 Ų2857.8 Ų57.819%0.18928%0.281CS..  trans-155.2151.8175.1-25.60000110.6F49 D53 H245 C247F49-C51 VanDerWaalsContact C-N 3.28Å; F49-C51 PolarHBondContact O-N 3.21Å; C51-D53 VanDerWaalsContact C-N 3.32Å; C51-D53 PolarHBondContact O-N 3.21Å; C51-H245 PolarHBondContact SG-CE1 3.43Å; C51-H245 PolarHBondContact SG-ND1 2.91Å; C51-C247 HydrophobicContact CB-CB 3.79Å; C51-C247 WeakPolarHBondContact CB-SG 3.43Å; C51-C247 WeakPolarHBondContact SG-CB 3.44Å; C51-C247 CovalentContact SG-SG 2.04Å; C51-C247 PolarHBondContact SG-SG 2.88Å
52D65.1Low80.3Confident167 Ų16756.8 Ų56.889%0.89328%0.276SS*.  trans-79.4-4-178.8-50.5-65.2000115.4
53D62.7Low80.6Confident140 Ų14051.1 Ų51.175%0.74925%0.249SC*.SBendtrans-73.2129.1-175.2-163.38.7000111.6C51 R55C51-D53 VanDerWaalsContact C-N 3.32Å; C51-D53 PolarHBondContact O-N 3.21Å; D53-R55 PolarHBondContact O-N 2.81Å; D53-R55 VanDerWaalsContact O-N 3.1Å
54R55.2Low80.9Confident195 Ų19549 Ų4974%0.73624%0.242SC*.  trans-75.8101.2-161-76-168.4-172.2-171.50.9112.4L56 E82R54-L56 PolarHBondContact O-N 2.9Å; R54-E82 VanDerWaalsContact CA-OE1 3.29Å; R54-E82 WeakPolarHBondContact CA-OE1 3.44Å; R54-E82 WeakPolarHBondContact CB-OE1 3.25Å
55R62Low80.9Confident35 Ų3550.5 Ų50.513%0.13225%0.248CC..  trans-73.488.3-174.9-67.7-170.9-178139.96.5112.3A48 C50 D53 S57 E82A48-R55 PolarHBondContact O-NH1 2.98Å; C50-R55 PolarHBondContact SG-NH2 3.27Å; D53-R55 PolarHBondContact O-N 2.81Å; D53-R55 VanDerWaalsContact O-N 3.1Å; R55-S57 PolarHBondContact O-N 3.29Å; R55-E82 PolarHBondContact N-OE1 3.21Å; R55-E82 VanDerWaalsContact N-OE1 3.15Å
56L56.6Low81Confident132 Ų13251.8 Ų51.869%0.69126%0.259SS*.  trans-70.80.7168.9-63.8175.7000114.6R54R54-L56 PolarHBondContact O-N 2.9Å
57S75.3Confident81.1Confident22 Ų2251.8 Ų51.815%0.15426%0.261CS..SBendtrans-112144.6178.657.10000112.1R55 E59 T875R55-S57 PolarHBondContact O-N 3.29Å; S57-E59 PolarHBondContact OG-OE1 2.92Å; S57-T875 VanDerWaalsContact CB-O 3.32Å; S57-T875 WeakPolarHBondContact CB-O 3.42Å
58V89.1Confident81.1Confident26 Ų2656.2 Ų56.216%0.15830%0.302CS..  trans-63.2134166.9178.50000108.7E60 Y78 Q79 R198V58-E60 HydrophobicContact CG1-CG 4.5Å; V58-Y78 HydrophobicContact CG1-CE2 3.96Å; V58-Q79 WeakPolarHBondContact CA-O 3.49Å; V58-R198 PolarHBondContact O-NH2 3.08Å
59E91.7Very high81.3Confident2 Ų264.5 Ų64.51%0.00934%0.338CS..EExtended strand (participates in β ladder)trans-123.8131.2174.8-65.8-65.4130.500111.6S57 F61 Q79 R198 L199 T200S57-E59 PolarHBondContact OG-OE1 2.92Å; E59-F61 HydrophobicContact CB-CD1 4.35Å; E59-Q79 HydrophobicContact CB-CB 4.47Å; E59-Q79 PolarHBondContact N-O 3.41Å; E59-Q79 PolarHBondContact O-N 2.79Å; E59-R198 IonicContact OE1-CZ 3.36Å; E59-R198 VanDerWaalsContact OE1-CZ 3.25Å; E59-R198 IonicContact OE1-NE 2.64Å; E59-R198 PolarHBondContact OE1-NE 3.03Å; E59-R198 IonicContact OE1-NH2 2.78Å; E59-R198 PolarHBondContact OE1-NH2 3.41Å; E59-R198 IonicContact OE2-NE 2.75Å; E59-R198 IonicContact OE2-NH2 3.56Å; E59-L199 PolarHBondContact OE2-N 3.28Å; E59-T200 VanDerWaalsContact CA-OG1 3.26Å; E59-T200 WeakPolarHBondContact CA-OG1 3.49Å; E59-T200 WeakPolarHBondContact OE2-CB 3.46Å; E59-T200 PolarHBondContact OE2-N 3.31Å; E59-T200 PolarHBondContact OE2-OG1 3.42Å
60E93.5Very high81.5Confident58 Ų5863.6 Ų63.627%0.27134%0.344SS..EExtended strand (participates in β ladder)trans-119.7109.7177.9-51-169.3157.500108V58 C77 Y78 T200V58-E60 HydrophobicContact CG1-CG 4.5Å; E60-C77 WeakPolarHBondContact CA-O 3.19Å; E60-Y78 HydrophobicContact CG-CD2 3.86Å; E60-Y78 HydrophobicContact CG-CE2 4.13Å; E60-Y78 WeakPolarHBondContact OE1-CE2 3.28Å; E60-T200 HydrophobicContact CB-CG2 4.34Å; E60-T200 PolarHBondContact N-OG1 2.66Å; E60-T200 VanDerWaalsContact O-CA 3.23Å; E60-T200 WeakPolarHBondContact O-CA 3.42Å; E60-T200 WeakPolarHBondContact O-CG2 3.27Å
61F94.9Very high81.9Confident0 Ų065.8 Ų65.80%035%0.354CS..EExtended strand (participates in β ladder)trans-141.8160.1-170.265.7-85000113.2A48 E59 I63 C77 Q79 L85 H99 L199 T203 L225A48-F61 HydrophobicContact CB-CZ 3.81Å; E59-F61 HydrophobicContact CB-CD1 4.35Å; F61-I63 HydrophobicContact CD2-CG1 4.35Å; F61-I63 HydrophobicContact CE2-CD1 4.22Å; F61-I63 HydrophobicContact CE2-CG1 4.14Å; F61-C77 HydrophobicContact CD1-CB 3.89Å; F61-C77 HydrophobicContact CD2-CB 3.82Å; F61-C77 HydrophobicContact CE1-CB 3.63Å; F61-C77 HydrophobicContact CE2-CB 3.57Å; F61-C77 HydrophobicContact CG-CB 3.98Å; F61-C77 HydrophobicContact CZ-CB 3.46Å; F61-C77 VanDerWaalsContact CZ-CB 3.46Å; F61-C77 PolarHBondContact N-O 2.85Å; F61-C77 WeakPolarHBondContact O-CA 3.37Å; F61-C77 VanDerWaalsContact O-CB 3.32Å; F61-C77 WeakPolarHBondContact O-CB 3.35Å; F61-C77 PolarHBondContact O-N 2.9Å; F61-Q79 HydrophobicContact CE1-CB 4.32Å; F61-L85 HydrophobicContact CE1-CD1 4.08Å; F61-L85 HydrophobicContact CZ-CD1 4.01Å; F61-H99 PolarHBondContact O-CE1 3.17Å; F61-L199 HydrophobicContact CB-CB 3.7Å; F61-L199 HydrophobicContact CD1-CB 3.97Å; F61-L199 HydrophobicContact CD1-CD1 3.89Å; F61-L199 HydrophobicContact CD2-CB 4.45Å; F61-L199 HydrophobicContact CD2-CD1 4.12Å; F61-L199 HydrophobicContact CE1-CD1 3.85Å; F61-L199 HydrophobicContact CE2-CD1 4.08Å; F61-L199 HydrophobicContact CG-CB 3.81Å; F61-L199 HydrophobicContact CG-CD1 4.03Å; F61-L199 HydrophobicContact CZ-CD1 3.95Å; F61-T203 WeakPolarHBondContact CA-OG1 3.47Å; F61-T203 HydrophobicContact CB-CG2 4.04Å; F61-L225 HydrophobicContact CD2-CD2 3.94Å; F61-L225 HydrophobicContact CE2-CD2 4.08Å
62V95.9Very high82.7Confident0 Ų065.4 Ų65.40%035%0.35CS..EExtended strand (participates in β ladder)trans-120.6125.3-177.1-172.20000110.6V64 F74 V75 F76 H99 T203 L207V62-V64 HydrophobicContact CG1-CG2 4.29Å; V62-F74 HydrophobicContact CG1-CB 4.26Å; V62-F74 HydrophobicContact CG1-CD1 4.16Å; V62-V75 WeakPolarHBondContact CA-O 3.21Å; V62-F76 HydrophobicContact CG1-CD1 4.23Å; V62-F76 HydrophobicContact CG1-CE1 4.15Å; V62-F76 HydrophobicContact CG2-CD1 3.78Å; V62-F76 HydrophobicContact CG2-CE1 4.11Å; V62-H99 WeakPolarHBondContact CG2-NE2 3.44Å; V62-T203 PolarHBondContact N-OG1 3.44Å; V62-T203 WeakPolarHBondContact O-CG2 3.36Å; V62-L207 HydrophobicContact CB-CD1 3.9Å; V62-L207 HydrophobicContact CG1-CD1 4.37Å; V62-L207 HydrophobicContact CG2-CD1 3.88Å
63I95.7Very high84Confident0 Ų058.9 Ų58.90%031%0.314CS..EExtended strand (participates in β ladder)trans-93.9145166.5-54.8163.6000107.7I44 F47 F61 F65 V75I44-I63 HydrophobicContact CG2-CD1 4.06Å; F47-I63 HydrophobicContact CB-CD1 3.52Å; F47-I63 HydrophobicContact CB-CG1 3.93Å; F47-I63 HydrophobicContact CD1-CB 4.33Å; F47-I63 HydrophobicContact CD1-CD1 4.2Å; F47-I63 HydrophobicContact CD1-CG1 3.89Å; F47-I63 HydrophobicContact CD1-CG2 3.56Å; F47-I63 HydrophobicContact CD2-CD1 4.44Å; F47-I63 HydrophobicContact CE1-CG2 3.47Å; F47-I63 VanDerWaalsContact CE1-CG2 3.47Å; F47-I63 HydrophobicContact CE2-CG2 4.45Å; F47-I63 HydrophobicContact CG-CD1 3.84Å; F47-I63 HydrophobicContact CG-CG1 4.06Å; F47-I63 HydrophobicContact CG-CG2 4.1Å; F47-I63 HydrophobicContact CZ-CG2 3.96Å; F61-I63 HydrophobicContact CD2-CG1 4.35Å; F61-I63 HydrophobicContact CE2-CD1 4.22Å; F61-I63 HydrophobicContact CE2-CG1 4.14Å; I63-F65 HydrophobicContact CB-CE2 4.44Å; I63-F65 HydrophobicContact CG2-CD2 4.22Å; I63-F65 HydrophobicContact CG2-CE1 4.19Å; I63-F65 HydrophobicContact CG2-CE2 3.61Å; I63-F65 HydrophobicContact CG2-CZ 3.59Å; I63-V75 HydrophobicContact CB-CB 4.31Å; I63-V75 PolarHBondContact N-O 3.22Å; I63-V75 PolarHBondContact O-N 3.1Å
64V94.9Very high85.5Confident8 Ų852.2 Ų52.25%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-125.4126.5173.5-179.70000110V62 L72 E73 F74 F222 P224V62-V64 HydrophobicContact CG1-CG2 4.29Å; V64-L72 HydrophobicContact CG1-CB 4.17Å; V64-L72 HydrophobicContact CG1-CD2 3.99Å; V64-E73 VanDerWaalsContact CA-O 3.32Å; V64-E73 WeakPolarHBondContact CA-O 3.47Å; V64-F74 HydrophobicContact CG2-CD1 3.54Å; V64-F74 HydrophobicContact CG2-CE1 3.77Å; V64-F74 HydrophobicContact CG2-CG 4.36Å; V64-F222 HydrophobicContact CG1-CD1 4.34Å; V64-F222 HydrophobicContact CG2-CE1 4.17Å; V64-P224 HydrophobicContact CB-CG 4.35Å; V64-P224 HydrophobicContact CG2-CG 3.74Å
65F93.5Very high87.4Confident32 Ų3243 Ų4314%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-105.7149.4169.5-60-75.8000109.6R43 I44 F47 I63 L72 E73 V75R43-F65 HydrophobicContact CB-CE1 4.25Å; R43-F65 HydrophobicContact CB-CZ 4.2Å; R43-F65 HydrophobicContact CG-CE1 4.05Å; R43-F65 HydrophobicContact CG-CE2 4.2Å; R43-F65 HydrophobicContact CG-CZ 3.67Å; I44-F65 HydrophobicContact CG1-CE2 4.3Å; I44-F65 HydrophobicContact CG1-CZ 4.45Å; F47-F65 AromaticContact CE2-CE1 3.91Å; F47-F65 HydrophobicContact CE2-CE1 3.91Å; F47-F65 HydrophobicContact CE2-CZ 4.02Å; F47-F65 AromaticContact CZ-CE1 3.81Å; F47-F65 HydrophobicContact CZ-CE1 3.81Å; F47-F65 HydrophobicContact CZ-CZ 4.16Å; I63-F65 HydrophobicContact CB-CE2 4.44Å; I63-F65 HydrophobicContact CG2-CD2 4.22Å; I63-F65 HydrophobicContact CG2-CE1 4.19Å; I63-F65 HydrophobicContact CG2-CE2 3.61Å; I63-F65 HydrophobicContact CG2-CZ 3.59Å; F65-L72 WeakPolarHBondContact O-CA 3.34Å; F65-E73 HydrophobicContact CB-CB 4.37Å; F65-E73 PolarHBondContact N-O 3.4Å; F65-E73 PolarHBondContact O-N 3.02Å; F65-V75 HydrophobicContact CD2-CG2 3.98Å; F65-V75 HydrophobicContact CE2-CG2 3.89Å
66T90.4Very high89.1Confident74 Ų7441.3 Ų41.345%0.45424%0.237SC..EExtended strand (participates in β ladder)trans-117.9126.7177.5-54.30000108.7I71 L72T66-I71 WeakPolarHBondContact CA-O 3.46Å; T66-L72 HydrophobicContact CG2-CD2 4.06Å; T66-L72 VanDerWaalsContact OG1-CD2 3.26Å; T66-L72 WeakPolarHBondContact OG1-CD2 3.27Å
67D87.3Confident91Very high67 Ų6735 Ų3536%0.35821%0.205SC..  trans-80.8172.6177.689.3-21.6000112.3K69 G70 I71D67-K69 PolarHBondContact O-N 2.89Å; D67-K69 VanDerWaalsContact OD1-CA 3.28Å; D67-K69 WeakPolarHBondContact OD1-CA 3.47Å; D67-K69 WeakPolarHBondContact OD1-CB 3.5Å; D67-K69 PolarHBondContact OD1-N 3Å; D67-G70 PolarHBondContact O-N 3.34Å; D67-G70 PolarHBondContact OD1-N 3.1Å; D67-I71 PolarHBondContact N-O 2.85Å; D67-I71 WeakPolarHBondContact OD1-CA 3.37Å; D67-I71 WeakPolarHBondContact OD1-CB 3.26Å; D67-I71 PolarHBondContact OD1-N 2.9Å
68A87Confident91.9Very high117 Ų11734.1 Ų34.197%0.96720%0.198SC*.THydrogen-bonded Turntrans-64.8-2.1177.800000114.7
69K85.7Confident92.1Very high174 Ų17433.3 Ų33.376%0.75719%0.192SC*.THydrogen-bonded Turntrans-109-1.5177-56173-179.3170.50112.5D67 I71D67-K69 PolarHBondContact O-N 2.89Å; D67-K69 VanDerWaalsContact OD1-CA 3.28Å; D67-K69 WeakPolarHBondContact OD1-CA 3.47Å; D67-K69 WeakPolarHBondContact OD1-CB 3.5Å; D67-K69 PolarHBondContact OD1-N 3Å; K69-I71 VanDerWaalsContact C-N 3.31Å; K69-I71 HydrophobicContact CB-CD1 4.27Å; K69-I71 HydrophobicContact CB-CG1 4.16Å; K69-I71 HydrophobicContact CD-CD1 4.24Å
70G83.1Confident92.1Very high38 Ų3833.9 Ų33.939%0.39220%0.196SC..SBendtrans76.417-174.300000114.2M1 D67M1-G70 PolarHBondContact N-O 3.25Å; D67-G70 PolarHBondContact O-N 3.34Å; D67-G70 PolarHBondContact OD1-N 3.1Å
71I85.4Confident91.8Very high67 Ų6733.7 Ų33.734%0.34420%0.197SC..  trans-79140.4168.6-55.7175.5000107.6T66 D67 K69 K91T66-I71 WeakPolarHBondContact CA-O 3.46Å; D67-I71 PolarHBondContact N-O 2.85Å; D67-I71 WeakPolarHBondContact OD1-CA 3.37Å; D67-I71 WeakPolarHBondContact OD1-CB 3.26Å; D67-I71 PolarHBondContact OD1-N 2.9Å; K69-I71 VanDerWaalsContact C-N 3.31Å; K69-I71 HydrophobicContact CB-CD1 4.27Å; K69-I71 HydrophobicContact CB-CG1 4.16Å; K69-I71 HydrophobicContact CD-CD1 4.24Å; I71-K91 HydrophobicContact CG2-CD 4.04Å; I71-K91 HydrophobicContact CG2-CG 4.49Å
72L90.8Very high91.3Very high20 Ų2037.1 Ų37.111%0.10521%0.213CC..EExtended strand (participates in β ladder)trans-103135.8-178.8-60.7173.4000109.4F2 V64 F65 T66 F74F2-L72 HydrophobicContact CB-CD1 4.29Å; F2-L72 HydrophobicContact CD1-CD1 3.59Å; F2-L72 HydrophobicContact CE1-CD1 4.41Å; F2-L72 HydrophobicContact CG-CD1 4.39Å; V64-L72 HydrophobicContact CG1-CB 4.17Å; V64-L72 HydrophobicContact CG1-CD2 3.99Å; F65-L72 WeakPolarHBondContact O-CA 3.34Å; T66-L72 HydrophobicContact CG2-CD2 4.06Å; T66-L72 VanDerWaalsContact OG1-CD2 3.26Å; T66-L72 WeakPolarHBondContact OG1-CD2 3.27Å; L72-F74 HydrophobicContact CB-CE2 3.8Å; L72-F74 HydrophobicContact CB-CZ 4.04Å; L72-F74 HydrophobicContact CD1-CZ 4.27Å
73E92.2Very high90.9Very high29 Ų2945.7 Ų45.714%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-114.7120.6176.1-175.9-166.9178.700108Y15 R43 V64 F65 S89Y15-E73 VanDerWaalsContact CE1-OE1 3.26Å; Y15-E73 WeakPolarHBondContact CE1-OE1 2.93Å; R43-E73 IonicContact CZ-OE1 3.25Å; R43-E73 IonicContact CZ-OE2 3.58Å; R43-E73 VanDerWaalsContact CZ-OE2 3.27Å; R43-E73 IonicContact NH1-OE2 3.69Å; R43-E73 PolarHBondContact NH1-OE2 3.44Å; R43-E73 IonicContact NH2-OE1 3.94Å; R43-E73 PolarHBondContact NH2-OE1 2.9Å; R43-E73 IonicContact NH2-OE2 3.81Å; R43-E73 PolarHBondContact NH2-OE2 2.86Å; V64-E73 VanDerWaalsContact CA-O 3.32Å; V64-E73 WeakPolarHBondContact CA-O 3.47Å; F65-E73 HydrophobicContact CB-CB 4.37Å; F65-E73 PolarHBondContact N-O 3.4Å; F65-E73 PolarHBondContact O-N 3.02Å; E73-S89 WeakPolarHBondContact CG-OG 3.46Å; E73-S89 PolarHBondContact OE1-OG 3.48Å
74F94.3Very high90.7Very high1 Ų147 Ų470%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-101.7117.5-178.2-60.3-96.8000109.2F2 V62 V64 L72 F76 S89 S90 P93 L207F2-F74 HydrophobicContact CB-CE2 4.29Å; F2-F74 HydrophobicContact CB-CZ 3.89Å; F2-F74 HydrophobicContact CD1-CZ 4.05Å; F2-F74 HydrophobicContact CD2-CZ 4.33Å; F2-F74 AromaticContact CG-CZ 3.87Å; F2-F74 HydrophobicContact CG-CZ 3.87Å; V62-F74 HydrophobicContact CG1-CB 4.26Å; V62-F74 HydrophobicContact CG1-CD1 4.16Å; V64-F74 HydrophobicContact CG2-CD1 3.54Å; V64-F74 HydrophobicContact CG2-CE1 3.77Å; V64-F74 HydrophobicContact CG2-CG 4.36Å; L72-F74 HydrophobicContact CB-CE2 3.8Å; L72-F74 HydrophobicContact CB-CZ 4.04Å; L72-F74 HydrophobicContact CD1-CZ 4.27Å; F74-F76 HydrophobicContact CB-CE1 4.19Å; F74-F76 HydrophobicContact CB-CE2 3.6Å; F74-F76 HydrophobicContact CB-CZ 3.4Å; F74-F76 VanDerWaalsContact CB-CZ 3.4Å; F74-F76 HydrophobicContact CG-CZ 4.23Å; F74-F76 WeakPolarHBondContact O-CE2 3.25Å; F74-S89 WeakPolarHBondContact O-CA 3.24Å; F74-S90 PolarHBondContact N-O 3.19Å; F74-S90 PolarHBondContact O-N 2.89Å; F74-P93 HydrophobicContact CD1-CB 4.23Å; F74-P93 HydrophobicContact CD2-CB 4.21Å; F74-P93 HydrophobicContact CE1-CB 3.92Å; F74-P93 HydrophobicContact CE2-CB 3.89Å; F74-P93 HydrophobicContact CG-CB 4.39Å; F74-P93 HydrophobicContact CZ-CB 3.75Å; F74-L207 HydrophobicContact CE1-CD2 4.49Å
75V96.6Very high90.7Very high0 Ų046.7 Ų46.70%025%0.249CC..EExtended strand (participates in β ladder)trans-102.1109.6172.8-174.80000108.5I44 V62 I63 F65 C87 I88I44-V75 HydrophobicContact CD1-CG1 3.9Å; I44-V75 HydrophobicContact CG1-CG1 4.41Å; V62-V75 WeakPolarHBondContact CA-O 3.21Å; I63-V75 HydrophobicContact CB-CB 4.31Å; I63-V75 PolarHBondContact N-O 3.22Å; I63-V75 PolarHBondContact O-N 3.1Å; F65-V75 HydrophobicContact CD2-CG2 3.98Å; F65-V75 HydrophobicContact CE2-CG2 3.89Å; V75-C87 HydrophobicContact CG1-CB 4.02Å; V75-I88 CarbonylContact C-O 3.27Å; V75-I88 WeakPolarHBondContact CA-O 3.4Å
76F96.8Very high90.8Very high0 Ų045.1 Ų45.10%024%0.243CC..EExtended strand (participates in β ladder)trans-85.8117.2178.5-53.7-84.2000108.7V62 F74 C87 I88 F92 C95 F98 H99 L102V62-F76 HydrophobicContact CG1-CD1 4.23Å; V62-F76 HydrophobicContact CG1-CE1 4.15Å; V62-F76 HydrophobicContact CG2-CD1 3.78Å; V62-F76 HydrophobicContact CG2-CE1 4.11Å; F74-F76 HydrophobicContact CB-CE1 4.19Å; F74-F76 HydrophobicContact CB-CE2 3.6Å; F74-F76 HydrophobicContact CB-CZ 3.4Å; F74-F76 VanDerWaalsContact CB-CZ 3.4Å; F74-F76 HydrophobicContact CG-CZ 4.23Å; F74-F76 WeakPolarHBondContact O-CE2 3.25Å; F76-C87 VanDerWaalsContact O-CA 3.31Å; F76-C87 WeakPolarHBondContact O-CA 3.4Å; F76-I88 WeakPolarHBondContact CD2-O 3.41Å; F76-I88 PolarHBondContact N-O 2.91Å; F76-I88 PolarHBondContact O-N 3.39Å; F76-F92 WeakPolarHBondContact CZ-O 2.98Å; F76-C95 HydrophobicContact CE1-CB 4.27Å; F76-F98 HydrophobicContact CB-CB 3.93Å; F76-F98 HydrophobicContact CD1-CB 4.17Å; F76-F98 HydrophobicContact CD1-CD2 4.5Å; F76-F98 HydrophobicContact CD2-CB 3.67Å; F76-F98 AromaticContact CD2-CD2 3.54Å; F76-F98 HydrophobicContact CD2-CD2 3.54Å; F76-F98 HydrophobicContact CD2-CE2 4.4Å; F76-F98 AromaticContact CD2-CG 3.81Å; F76-F98 HydrophobicContact CD2-CG 3.81Å; F76-F98 HydrophobicContact CE1-CD2 4.28Å; F76-F98 HydrophobicContact CE2-CB 4.29Å; F76-F98 AromaticContact CE2-CD2 3.27Å; F76-F98 HydrophobicContact CE2-CD2 3.27Å; F76-F98 AromaticContact CE2-CE2 3.82Å; F76-F98 HydrophobicContact CE2-CE2 3.82Å; F76-F98 HydrophobicContact CE2-CG 4.03Å; F76-F98 HydrophobicContact CG-CB 3.62Å; F76-F98 HydrophobicContact CG-CD2 4.17Å; F76-F98 HydrophobicContact CG-CG 4.26Å; F76-F98 AromaticContact CZ-CD2 3.68Å; F76-F98 HydrophobicContact CZ-CD2 3.68Å; F76-F98 HydrophobicContact CZ-CE2 4.28Å; F76-H99 AromaticContact CD1-NE2 3.85Å; F76-L102 HydrophobicContact CB-CD1 4.14Å; F76-L102 VanDerWaalsContact O-CD1 3.28Å; F76-L102 WeakPolarHBondContact O-CD1 3.31Å
77C96.3Very high91.1Very high0 Ų041.6 Ų41.60%022%0.221CC..EExtended strand (participates in β ladder)trans-109.3133.5-175.7-63.80000110.7E60 F61 L85 L86 C87 H99E60-C77 WeakPolarHBondContact CA-O 3.19Å; F61-C77 HydrophobicContact CD1-CB 3.89Å; F61-C77 HydrophobicContact CD2-CB 3.82Å; F61-C77 HydrophobicContact CE1-CB 3.63Å; F61-C77 HydrophobicContact CE2-CB 3.57Å; F61-C77 HydrophobicContact CG-CB 3.98Å; F61-C77 HydrophobicContact CZ-CB 3.46Å; F61-C77 VanDerWaalsContact CZ-CB 3.46Å; F61-C77 PolarHBondContact N-O 2.85Å; F61-C77 WeakPolarHBondContact O-CA 3.37Å; F61-C77 VanDerWaalsContact O-CB 3.32Å; F61-C77 WeakPolarHBondContact O-CB 3.35Å; F61-C77 PolarHBondContact O-N 2.9Å; C77-L85 HydrophobicContact CB-CD1 4.08Å; C77-L86 CarbonylContact C-O 3.51Å; C77-L86 WeakPolarHBondContact CA-O 3.17Å; C77-C87 VanDerWaalsContact SG-SG 3.66Å; C77-H99 PolarHBondContact O-CE1 3.23Å; C77-H99 VanDerWaalsContact O-CE1 3.23Å
78Y95.5Very high91.6Very high4 Ų438.4 Ų38.42%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-124.9110.1173.9-179.8-95.9000109V58 E60 P80 L86 L102 W106V58-Y78 HydrophobicContact CG1-CE2 3.96Å; E60-Y78 HydrophobicContact CG-CD2 3.86Å; E60-Y78 HydrophobicContact CG-CE2 4.13Å; E60-Y78 WeakPolarHBondContact OE1-CE2 3.28Å; Y78-P80 HydrophobicContact CD1-CB 4.43Å; Y78-P80 HydrophobicContact CD1-CG 4.26Å; Y78-P80 HydrophobicContact CE1-CB 3.7Å; Y78-P80 HydrophobicContact CE1-CG 3.93Å; Y78-P80 VanDerWaalsContact O-CD 3.24Å; Y78-P80 WeakPolarHBondContact O-CD 3.49Å; Y78-L86 PolarHBondContact N-O 3.48Å; Y78-L86 PolarHBondContact O-N 2.7Å; Y78-L102 HydrophobicContact CG-CB 4.04Å; Y78-W106 HydrophobicContact CD1-CB 4.22Å; Y78-W106 HydrophobicContact CE1-CB 3.53Å; Y78-W106 AromaticContact CE1-CD1 3.84Å; Y78-W106 HydrophobicContact CE1-CD2 4.39Å; Y78-W106 AromaticContact CE1-CG 3.63Å; Y78-W106 HydrophobicContact CE1-CG 3.63Å
79Q92.8Very high92Very high8 Ų832.9 Ų32.94%0.03716%0.158CC..EExtended strand (participates in β ladder)trans-107.692.4178.8-173.8173.718.700109.4V58 E59 F61 N81 L85V58-Q79 WeakPolarHBondContact CA-O 3.49Å; E59-Q79 HydrophobicContact CB-CB 4.47Å; E59-Q79 PolarHBondContact N-O 3.41Å; E59-Q79 PolarHBondContact O-N 2.79Å; F61-Q79 HydrophobicContact CE1-CB 4.32Å; Q79-N81 VanDerWaalsContact C-N 3.31Å; Q79-N81 WeakPolarHBondContact CG-O 3.41Å; Q79-N81 PolarHBondContact NE2-O 3.05Å; Q79-N81 PolarHBondContact O-N 2.92Å; Q79-L85 HydrophobicContact CB-CD1 3.94Å
80P91.4Very high92.3Very high15 Ų1524.6 Ų24.610%0.09712%0.122CC..SBendtrans-73.1-21.1179.627.2-34.7000114.1Y78 F84 W106Y78-P80 HydrophobicContact CD1-CB 4.43Å; Y78-P80 HydrophobicContact CD1-CG 4.26Å; Y78-P80 HydrophobicContact CE1-CB 3.7Å; Y78-P80 HydrophobicContact CE1-CG 3.93Å; Y78-P80 VanDerWaalsContact O-CD 3.24Å; Y78-P80 WeakPolarHBondContact O-CD 3.49Å; P80-F84 WeakPolarHBondContact CD-O 3.38Å; P80-F84 HydrophobicContact CG-CB 4.28Å; P80-W106 HydrophobicContact CB-CD2 3.8Å; P80-W106 HydrophobicContact CB-CE3 4.44Å; P80-W106 HydrophobicContact CB-CG 4.13Å; P80-W106 HydrophobicContact CB-CH2 4.35Å; P80-W106 HydrophobicContact CB-CZ2 3.69Å; P80-W106 HydrophobicContact CG-CD2 3.57Å; P80-W106 HydrophobicContact CG-CE3 3.72Å; P80-W106 HydrophobicContact CG-CG 4.22Å; P80-W106 HydrophobicContact CG-CH2 3.79Å; P80-W106 HydrophobicContact CG-CZ2 3.64Å; P80-W106 HydrophobicContact CG-CZ3 3.82Å
81N88Confident92.6Very high53 Ų5326 Ų2628%0.28312%0.117SC..SBendtrans-165.5-179.3179.355.746.7000110.5Q79 R83 F84Q79-N81 VanDerWaalsContact C-N 3.31Å; Q79-N81 WeakPolarHBondContact CG-O 3.41Å; Q79-N81 PolarHBondContact NE2-O 3.05Å; Q79-N81 PolarHBondContact O-N 2.92Å; N81-R83 PolarHBondContact O-N 3.03Å; N81-R83 WeakPolarHBondContact OD1-CA 3.36Å; N81-R83 WeakPolarHBondContact OD1-CB 3.42Å; N81-R83 PolarHBondContact OD1-N 3.07Å; N81-F84 PolarHBondContact OD1-N 3.47Å
82E83.4Confident92.8Very high73 Ų7323 Ų2334%0.34110%0.102SC..SBendtrans-65.3-15.3177.8-64.5171.4-168.100114.3R54 R55R54-E82 VanDerWaalsContact CA-OE1 3.29Å; R54-E82 WeakPolarHBondContact CA-OE1 3.44Å; R54-E82 WeakPolarHBondContact CB-OE1 3.25Å; R55-E82 PolarHBondContact N-OE1 3.21Å; R55-E82 VanDerWaalsContact N-OE1 3.15Å
83R87.4Confident92.6Very high179 Ų17922.3 Ų22.368%0.67510%0.098SC*.SBendtrans-94.7-30.9-175.5-69.6-170-179.1-169-0.5115E20 Q21 N81E20-R83 CarbonylContact C-O 3.56Å; E20-R83 WeakPolarHBondContact CA-O 3.39Å; Q21-R83 PolarHBondContact N-O 2.92Å; N81-R83 PolarHBondContact O-N 3.03Å; N81-R83 WeakPolarHBondContact OD1-CA 3.36Å; N81-R83 WeakPolarHBondContact OD1-CB 3.42Å; N81-R83 PolarHBondContact OD1-N 3.07Å
84F92.2Very high92.4Very high28 Ų2821 Ų2112%0.1239%0.092CC..EExtended strand (participates in β ladder)trans-126.3142.7-171.7-67.2-77.1000112.4L18 E20 K29 P80 N81 L86 W106L18-F84 HydrophobicContact CD1-CD1 4.08Å; E20-F84 HydrophobicContact CB-CD1 4.31Å; E20-F84 HydrophobicContact CB-CE1 4.08Å; E20-F84 HydrophobicContact CG-CD1 4.29Å; E20-F84 HydrophobicContact CG-CE1 3.7Å; E20-F84 HydrophobicContact CG-CZ 4.2Å; E20-F84 WeakPolarHBondContact OE1-CE1 3.44Å; E20-F84 WeakPolarHBondContact OE1-CZ 3.17Å; K29-F84 HydrophobicContact CD-CE1 4.44Å; P80-F84 WeakPolarHBondContact CD-O 3.38Å; P80-F84 HydrophobicContact CG-CB 4.28Å; N81-F84 PolarHBondContact OD1-N 3.47Å; F84-L86 HydrophobicContact CB-CD1 4.34Å; F84-W106 HydrophobicContact CB-CH2 4.33Å; F84-W106 HydrophobicContact CB-CZ3 3.98Å; F84-W106 AromaticContact CD2-CH2 3.68Å; F84-W106 HydrophobicContact CD2-CH2 3.68Å; F84-W106 AromaticContact CD2-CZ3 3.87Å; F84-W106 HydrophobicContact CD2-CZ3 3.87Å; F84-W106 HydrophobicContact CE2-CH2 4.33Å; F84-W106 HydrophobicContact CG-CH2 4.2Å; F84-W106 AromaticContact CG-CZ3 3.95Å; F84-W106 HydrophobicContact CG-CZ3 3.95Å
85L94.3Very high92.2Very high1 Ų120.9 Ų20.91%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-135.7119.4171.4177.874.9000108.2Y19 I44 A48 F49 F61 C77 Q79Y19-L85 HydrophobicContact CD2-CB 4.4Å; Y19-L85 HydrophobicContact CD2-CD2 3.93Å; Y19-L85 HydrophobicContact CD2-CG 4.35Å; Y19-L85 HydrophobicContact CE2-CD2 4.38Å; Y19-L85 PolarHBondContact N-O 3.47Å; Y19-L85 PolarHBondContact O-N 2.97Å; I44-L85 HydrophobicContact CG2-CD2 4.31Å; A48-L85 HydrophobicContact CB-CD1 4.28Å; A48-L85 HydrophobicContact CB-CD2 3.49Å; A48-L85 VanDerWaalsContact CB-CD2 3.49Å; F49-L85 HydrophobicContact CE2-CD2 4.07Å; F49-L85 HydrophobicContact CZ-CB 4.36Å; F49-L85 HydrophobicContact CZ-CD2 4.45Å; F61-L85 HydrophobicContact CE1-CD1 4.08Å; F61-L85 HydrophobicContact CZ-CD1 4.01Å; C77-L85 HydrophobicContact CB-CD1 4.08Å; Q79-L85 HydrophobicContact CB-CD1 3.94Å
86L96.5Very high91.5Very high0 Ų022.5 Ų22.50%010%0.099CC..EExtended strand (participates in β ladder)trans-103.6131.5175.7-68.365.9000108.7Y16 L18 C77 Y78 F84 L102 L105 W106Y16-L86 HydrophobicContact CE2-CB 4.46Å; L18-L86 HydrophobicContact CD1-CD1 3.65Å; L18-L86 HydrophobicContact CD1-CG 3.8Å; C77-L86 CarbonylContact C-O 3.51Å; C77-L86 WeakPolarHBondContact CA-O 3.17Å; Y78-L86 PolarHBondContact N-O 3.48Å; Y78-L86 PolarHBondContact O-N 2.7Å; F84-L86 HydrophobicContact CB-CD1 4.34Å; L86-L102 HydrophobicContact CB-CD2 3.68Å; L86-L102 HydrophobicContact CD2-CD2 4.47Å; L86-L105 HydrophobicContact CD2-CB 4.26Å; L86-W106 HydrophobicContact CD1-CE3 4.1Å; L86-W106 HydrophobicContact CD2-CB 4.46Å
87C97.1Very high91.1Very high0 Ų022.6 Ų22.60%010%0.1CC..EExtended strand (participates in β ladder)trans-127.9136.4-176.5-63.70000111.5Y16 I17 V75 F76 C77Y16-C87 CarbonylContact C-O 3.59Å; Y16-C87 WeakPolarHBondContact CA-O 3.45Å; Y16-C87 WeakPolarHBondContact CD2-O 3.31Å; I17-C87 HydrophobicContact CB-CB 4.38Å; I17-C87 PolarHBondContact N-O 2.92Å; I17-C87 PolarHBondContact O-N 3.46Å; V75-C87 HydrophobicContact CG1-CB 4.02Å; F76-C87 VanDerWaalsContact O-CA 3.31Å; F76-C87 WeakPolarHBondContact O-CA 3.4Å; C77-C87 VanDerWaalsContact SG-SG 3.66Å
88I96.6Very high91Very high0 Ų022.7 Ų22.70%010%0.1CC..EExtended strand (participates in β ladder)trans-122.6132.1166.3-76172.4000108.3I13 Y16 V75 F76 F98 L101 L102I13-I88 HydrophobicContact CD1-CD1 4.25Å; I13-I88 HydrophobicContact CD1-CG2 3.74Å; I13-I88 HydrophobicContact CG1-CG2 3.9Å; I13-I88 HydrophobicContact CG2-CG2 4.17Å; Y16-I88 HydrophobicContact CD2-CG1 3.84Å; V75-I88 CarbonylContact C-O 3.27Å; V75-I88 WeakPolarHBondContact CA-O 3.4Å; F76-I88 WeakPolarHBondContact CD2-O 3.41Å; F76-I88 PolarHBondContact N-O 2.91Å; F76-I88 PolarHBondContact O-N 3.39Å; I88-F98 HydrophobicContact CG2-CD1 3.83Å; I88-F98 HydrophobicContact CG2-CE1 4.27Å; I88-F98 HydrophobicContact CG2-CG 4.24Å; I88-L101 HydrophobicContact CD1-CD2 3.67Å; I88-L101 HydrophobicContact CD1-CG 4.02Å; I88-L102 HydrophobicContact CD1-CD2 3.83Å; I88-L102 HydrophobicContact CD1-CG 4.02Å; I88-L102 HydrophobicContact CG1-CD2 3.89Å; I88-L102 HydrophobicContact CG1-CG 4.39Å
89S95.3Very high90.8Very high0 Ų022.9 Ų22.90%010%0.101CC..EExtended strand (participates in β ladder)trans-99.8136.8170.1-176.30000111.6E14 Y15 E73 F74E14-S89 PolarHBondContact N-O 3.44Å; Y15-S89 VanDerWaalsContact CE1-CB 3.41Å; Y15-S89 VanDerWaalsContact CZ-CB 3.49Å; Y15-S89 PolarHBondContact O-N 3.14Å; E73-S89 WeakPolarHBondContact CG-OG 3.46Å; E73-S89 PolarHBondContact OE1-OG 3.48Å; F74-S89 WeakPolarHBondContact O-CA 3.24Å
90S93.1Very high90.6Very high0 Ų023.7 Ų23.70%011%0.108CC..EExtended strand (participates in β ladder)trans-148.5149.2169.4-174.20000111.4T12 F74 F92T12-S90 WeakPolarHBondContact O-CB 3.01Å; T12-S90 PolarHBondContact O-OG 3.48Å; F74-S90 PolarHBondContact N-O 3.19Å; F74-S90 PolarHBondContact O-N 2.89Å; S90-F92 PolarHBondContact O-N 3.25Å; S90-F92 PolarHBondContact OG-N 3.08Å
91K89.6Confident90.6Very high68 Ų6823.1 Ų23.130%0.29610%0.104SC..SBendtrans-73.1-11.5165.8-64.1-176.1-173.594.50112.7L9 E14 I71L9-K91 HydrophobicContact CD1-CB 3.58Å; L9-K91 HydrophobicContact CD1-CD 3.99Å; L9-K91 HydrophobicContact CD1-CG 4.42Å; E14-K91 HydrophobicContact CG-CG 4.45Å; E14-K91 WeakPolarHBondContact OE1-CG 3.37Å; E14-K91 IonicContact OE1-NZ 2.66Å; E14-K91 PolarHBondContact OE1-NZ 3.38Å; E14-K91 IonicContact OE2-NZ 2.88Å; E14-K91 PolarHBondContact OE2-NZ 3.46Å; I71-K91 HydrophobicContact CG2-CD 4.04Å; I71-K91 HydrophobicContact CG2-CG 4.49Å
92F87.8Confident90.9Very high5 Ų520.6 Ų20.62%0.0229%0.09CC..SBendtrans-92.1130176.3-65.4-59.1000111.9V6 L9 H11 F76 S90 W94 P131V6-F92 WeakPolarHBondContact O-CE1 3.32Å; L9-F92 HydrophobicContact CB-CE1 4.43Å; L9-F92 HydrophobicContact CB-CE2 4.35Å; L9-F92 HydrophobicContact CB-CZ 3.74Å; L9-F92 HydrophobicContact CD1-CE1 4.15Å; L9-F92 HydrophobicContact CD1-CZ 4.16Å; L9-F92 HydrophobicContact CG-CE1 4.45Å; L9-F92 HydrophobicContact CG-CZ 4.24Å; H11-F92 WeakPolarHBondContact O-CE2 3.42Å; F76-F92 WeakPolarHBondContact CZ-O 2.98Å; S90-F92 PolarHBondContact O-N 3.25Å; S90-F92 PolarHBondContact OG-N 3.08Å; F92-W94 HydrophobicContact CB-CD2 3.72Å; F92-W94 HydrophobicContact CB-CE3 4.27Å; F92-W94 HydrophobicContact CB-CG 3.96Å; F92-W94 HydrophobicContact CB-CZ2 4.06Å; F92-W94 AromaticContact CD1-CZ2 3.95Å; F92-W94 HydrophobicContact CD1-CZ2 3.95Å; F92-W94 AromaticContact CD2-CH2 3.98Å; F92-W94 HydrophobicContact CD2-CH2 3.98Å; F92-W94 AromaticContact CD2-CZ2 3.99Å; F92-W94 HydrophobicContact CD2-CZ2 3.99Å; F92-W94 HydrophobicContact CD2-CZ3 4.36Å; F92-W94 HydrophobicContact CE1-CZ2 4.43Å; F92-W94 HydrophobicContact CE2-CH2 4.35Å; F92-W94 HydrophobicContact CE2-CZ2 4.44Å; F92-W94 HydrophobicContact CG-CD2 4.3Å; F92-W94 AromaticContact CG-CE2 3.78Å; F92-W94 HydrophobicContact CG-CH2 4.18Å; F92-W94 AromaticContact CG-CZ2 3.72Å; F92-W94 HydrophobicContact CG-CZ2 3.72Å; F92-W94 PolarHBondContact O-N 2.89Å; F92-P131 HydrophobicContact CE2-CB 3.94Å; F92-P131 HydrophobicContact CE2-CG 4Å; F92-P131 HydrophobicContact CZ-CB 3.95Å; F92-P131 HydrophobicContact CZ-CG 3.74Å
93P87.9Confident91.3Very high4 Ų418 Ų183%0.0268%0.08CC..  trans-77.127.3-174.633.3-38.5000114F2 L4 F74 C95 Y163F2-P93 HydrophobicContact CD2-CB 4.22Å; F2-P93 HydrophobicContact CD2-CG 4.23Å; L4-P93 HydrophobicContact CD2-CB 4.49Å; L4-P93 HydrophobicContact CD2-CG 4.09Å; F74-P93 HydrophobicContact CD1-CB 4.23Å; F74-P93 HydrophobicContact CD2-CB 4.21Å; F74-P93 HydrophobicContact CE1-CB 3.92Å; F74-P93 HydrophobicContact CE2-CB 3.89Å; F74-P93 HydrophobicContact CG-CB 4.39Å; F74-P93 HydrophobicContact CZ-CB 3.75Å; P93-C95 PolarHBondContact O-N 2.91Å; P93-C95 PolarHBondContact O-SG 3.12Å; P93-Y163 WeakPolarHBondContact O-CE2 3.36Å; P93-Y163 PolarHBondContact O-OH 2.9Å
94W88.1Confident91.4Very high1 Ų110.3 Ų10.30%0.0045%0.053CC..  trans-76.863.3-166-54.7-18.5000113.6R7 T12 F92 E96 C97 F98 P131 I139 I155 P156R7-W94 HydrophobicContact CG-CZ2 4.35Å; T12-W94 HydrophobicContact CG2-CZ3 3.79Å; F92-W94 HydrophobicContact CB-CD2 3.72Å; F92-W94 HydrophobicContact CB-CE3 4.27Å; F92-W94 HydrophobicContact CB-CG 3.96Å; F92-W94 HydrophobicContact CB-CZ2 4.06Å; F92-W94 AromaticContact CD1-CZ2 3.95Å; F92-W94 HydrophobicContact CD1-CZ2 3.95Å; F92-W94 AromaticContact CD2-CH2 3.98Å; F92-W94 HydrophobicContact CD2-CH2 3.98Å; F92-W94 AromaticContact CD2-CZ2 3.99Å; F92-W94 HydrophobicContact CD2-CZ2 3.99Å; F92-W94 HydrophobicContact CD2-CZ3 4.36Å; F92-W94 HydrophobicContact CE1-CZ2 4.43Å; F92-W94 HydrophobicContact CE2-CH2 4.35Å; F92-W94 HydrophobicContact CE2-CZ2 4.44Å; F92-W94 HydrophobicContact CG-CD2 4.3Å; F92-W94 AromaticContact CG-CE2 3.78Å; F92-W94 HydrophobicContact CG-CH2 4.18Å; F92-W94 AromaticContact CG-CZ2 3.72Å; F92-W94 HydrophobicContact CG-CZ2 3.72Å; F92-W94 PolarHBondContact O-N 2.89Å; W94-E96 PolarHBondContact O-N 3.42Å; W94-C97 HydrophobicContact CB-CB 3.77Å; W94-C97 WeakPolarHBondContact O-CA 3.31Å; W94-C97 VanDerWaalsContact O-CB 3.24Å; W94-C97 WeakPolarHBondContact O-CB 3.37Å; W94-C97 PolarHBondContact O-N 3.49Å; W94-F98 HydrophobicContact CB-CD2 4Å; W94-F98 HydrophobicContact CB-CE2 3.77Å; W94-F98 HydrophobicContact CD2-CE2 4.48Å; W94-F98 HydrophobicContact CE3-CE2 4.18Å; W94-F98 AromaticContact CE3-CZ 4Å; W94-F98 HydrophobicContact CE3-CZ 4Å; W94-F98 HydrophobicContact CG-CE2 4.37Å; W94-F98 WeakPolarHBondContact O-CD2 3.45Å; W94-F98 PolarHBondContact O-N 3.33Å; W94-F98 VanDerWaalsContact O-N 3.1Å; W94-P131 HydrophobicContact CH2-CB 3.76Å; W94-P131 HydrophobicContact CZ2-CB 4.28Å; W94-I139 HydrophobicContact CE3-CD1 4.43Å; W94-I139 HydrophobicContact CZ3-CD1 3.92Å; W94-I155 HydrophobicContact CD2-CG2 3.79Å; W94-I155 VanDerWaalsContact CE2-CG2 3.45Å; W94-I155 HydrophobicContact CE3-CG2 4.29Å; W94-I155 HydrophobicContact CG-CG2 4.25Å; W94-I155 HydrophobicContact CH2-CD1 4.33Å; W94-I155 HydrophobicContact CH2-CG2 4.19Å; W94-I155 HydrophobicContact CZ2-CG2 3.68Å; W94-I155 HydrophobicContact CZ3-CD1 4.43Å; W94-I155 HydrophobicContact CZ3-CG2 4.47Å; W94-P156 VanDerWaalsContact CD1-CG 3.42Å; W94-P156 HydrophobicContact CG-CG 4.25Å
95C88.8Confident91.4Very high0 Ų09.1 Ų9.10%05%0.047CC..Hα-helixtrans-45-56.2-173.8-59.10000114F76 P93 C97 F98 H99 Y163 Y166F76-C95 HydrophobicContact CE1-CB 4.27Å; P93-C95 PolarHBondContact O-N 2.91Å; P93-C95 PolarHBondContact O-SG 3.12Å; C95-C97 VanDerWaalsContact C-N 3.29Å; C95-C97 PolarHBondContact O-N 3.3Å; C95-F98 PolarHBondContact O-N 3.05Å; C95-H99 WeakPolarHBondContact O-CB 3.27Å; C95-H99 PolarHBondContact O-CD2 2.93Å; C95-H99 PolarHBondContact O-N 2.73Å; C95-Y163 HydrophobicContact CB-CD1 4.09Å; C95-Y163 HydrophobicContact CB-CD2 4.01Å; C95-Y163 HydrophobicContact CB-CE1 4.4Å; C95-Y163 HydrophobicContact CB-CE2 4.31Å; C95-Y163 HydrophobicContact CB-CG 3.92Å; C95-Y166 HydrophobicContact CB-CD2 4.44Å; C95-Y166 HydrophobicContact CB-CE2 3.58Å; C95-Y166 VanDerWaalsContact SG-CE2 3.58Å
96E83.8Confident91.3Very high34 Ų3411.3 Ų11.316%0.1596%0.056CC..Hα-helixtrans-64.6-33-178.5-67.5-174171.500112.6W94 S100 Y163 L164 N165W94-E96 PolarHBondContact O-N 3.42Å; E96-S100 WeakPolarHBondContact O-CB 3.49Å; E96-S100 PolarHBondContact O-N 3.21Å; E96-S100 VanDerWaalsContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 3.14Å; E96-Y163 HydrophobicContact CG-CD1 4.1Å; E96-L164 PolarHBondContact OE1-N 3.2Å; E96-N165 WeakPolarHBondContact OE1-CB 3.29Å; E96-N165 PolarHBondContact OE1-N 2.86Å
97C88.2Confident91Very high1 Ų116.1 Ų16.11%0.0078%0.078CC..Hα-helixtrans-64.6-51.7177.5-174.20000110.9W94 C95 L101 L153 R154W94-C97 HydrophobicContact CB-CB 3.77Å; W94-C97 WeakPolarHBondContact O-CA 3.31Å; W94-C97 VanDerWaalsContact O-CB 3.24Å; W94-C97 WeakPolarHBondContact O-CB 3.37Å; W94-C97 PolarHBondContact O-N 3.49Å; C95-C97 VanDerWaalsContact C-N 3.29Å; C95-C97 PolarHBondContact O-N 3.3Å; C97-L101 PolarHBondContact O-N 2.95Å; C97-L153 VanDerWaalsContact SG-CB 3.57Å; C97-R154 WeakPolarHBondContact CB-O 3.25Å
98F92.6Very high90.5Very high3 Ų321.6 Ų21.61%0.01310%0.103CC..Hα-helixtrans-79.1-36.6-173.8-62.8-59.1000113.1T12 I13 F76 I88 W94 C95 L101 L102T12-F98 HydrophobicContact CG2-CE1 4.4Å; T12-F98 HydrophobicContact CG2-CZ 4.23Å; I13-F98 HydrophobicContact CD1-CD1 4.33Å; I13-F98 HydrophobicContact CD1-CE1 3.92Å; I13-F98 HydrophobicContact CG1-CD1 4.44Å; I13-F98 HydrophobicContact CG1-CE1 3.66Å; I13-F98 HydrophobicContact CG1-CZ 4.27Å; F76-F98 HydrophobicContact CB-CB 3.93Å; F76-F98 HydrophobicContact CD1-CB 4.17Å; F76-F98 HydrophobicContact CD1-CD2 4.5Å; F76-F98 HydrophobicContact CD2-CB 3.67Å; F76-F98 AromaticContact CD2-CD2 3.54Å; F76-F98 HydrophobicContact CD2-CD2 3.54Å; F76-F98 HydrophobicContact CD2-CE2 4.4Å; F76-F98 AromaticContact CD2-CG 3.81Å; F76-F98 HydrophobicContact CD2-CG 3.81Å; F76-F98 HydrophobicContact CE1-CD2 4.28Å; F76-F98 HydrophobicContact CE2-CB 4.29Å; F76-F98 AromaticContact CE2-CD2 3.27Å; F76-F98 HydrophobicContact CE2-CD2 3.27Å; F76-F98 AromaticContact CE2-CE2 3.82Å; F76-F98 HydrophobicContact CE2-CE2 3.82Å; F76-F98 HydrophobicContact CE2-CG 4.03Å; F76-F98 HydrophobicContact CG-CB 3.62Å; F76-F98 HydrophobicContact CG-CD2 4.17Å; F76-F98 HydrophobicContact CG-CG 4.26Å; F76-F98 AromaticContact CZ-CD2 3.68Å; F76-F98 HydrophobicContact CZ-CD2 3.68Å; F76-F98 HydrophobicContact CZ-CE2 4.28Å; I88-F98 HydrophobicContact CG2-CD1 3.83Å; I88-F98 HydrophobicContact CG2-CE1 4.27Å; I88-F98 HydrophobicContact CG2-CG 4.24Å; W94-F98 HydrophobicContact CB-CD2 4Å; W94-F98 HydrophobicContact CB-CE2 3.77Å; W94-F98 HydrophobicContact CD2-CE2 4.48Å; W94-F98 HydrophobicContact CE3-CE2 4.18Å; W94-F98 AromaticContact CE3-CZ 4Å; W94-F98 HydrophobicContact CE3-CZ 4Å; W94-F98 HydrophobicContact CG-CE2 4.37Å; W94-F98 WeakPolarHBondContact O-CD2 3.45Å; W94-F98 PolarHBondContact O-N 3.33Å; W94-F98 VanDerWaalsContact O-N 3.1Å; C95-F98 PolarHBondContact O-N 3.05Å; F98-L101 PolarHBondContact O-N 3.47Å; F98-L102 VanDerWaalsContact O-CG 3.27Å; F98-L102 WeakPolarHBondContact O-CG 3.25Å; F98-L102 PolarHBondContact O-N 3.32Å
99H92.6Very high90.1Very high7 Ų722.1 Ų22.13%0.03211%0.109CC..Hα-helixtrans-66.7-37170.8-69.6-64.2000112.1F61 V62 F76 C77 C95 L101 L102 S103 Y166F61-H99 PolarHBondContact O-CE1 3.17Å; V62-H99 WeakPolarHBondContact CG2-NE2 3.44Å; F76-H99 AromaticContact CD1-NE2 3.85Å; C77-H99 PolarHBondContact O-CE1 3.23Å; C77-H99 VanDerWaalsContact O-CE1 3.23Å; C95-H99 WeakPolarHBondContact O-CB 3.27Å; C95-H99 PolarHBondContact O-CD2 2.93Å; C95-H99 PolarHBondContact O-N 2.73Å; H99-L101 PolarHBondContact O-N 3.27Å; H99-L102 PolarHBondContact O-N 3.08Å; H99-S103 VanDerWaalsContact O-CB 3.27Å; H99-S103 WeakPolarHBondContact O-CB 3.42Å; H99-S103 PolarHBondContact O-N 3.05Å; H99-Y166 PolarHBondContact CD2-OH 2.76Å; H99-Y166 PolarHBondContact NE2-OH 2.74Å; H99-Y166 VanDerWaalsContact NE2-OH 3.14Å
100S89Confident89.8Confident26 Ų2622.4 Ų22.418%0.18211%0.111CC..Hα-helixtrans-61-43.4171.6-65.60000112E96 S103 I104 Y938E96-S100 WeakPolarHBondContact O-CB 3.49Å; E96-S100 PolarHBondContact O-N 3.21Å; E96-S100 VanDerWaalsContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 3.14Å; S100-S103 PolarHBondContact O-N 3.09Å; S100-I104 VanDerWaalsContact O-CG1 3.29Å; S100-I104 WeakPolarHBondContact O-CG1 3.35Å; S100-I104 PolarHBondContact O-N 2.86Å; S100-Y938 WeakPolarHBondContact CA-OH 3.15Å; S100-Y938 VanDerWaalsContact CB-OH 3.26Å; S100-Y938 WeakPolarHBondContact CB-OH 3.33Å; S100-Y938 PolarHBondContact OG-OH 3.22Å
101L91.3Very high89.7Confident2 Ų224.1 Ų24.11%0.0112%0.117CC..Hα-helixtrans-60.7-50.1174.9176.254.8000111.3I13 I88 C97 F98 H99 S103 I104 L105 F122 L126 F151 L153I13-L101 HydrophobicContact CD1-CD2 4.44Å; I88-L101 HydrophobicContact CD1-CD2 3.67Å; I88-L101 HydrophobicContact CD1-CG 4.02Å; C97-L101 PolarHBondContact O-N 2.95Å; F98-L101 PolarHBondContact O-N 3.47Å; H99-L101 PolarHBondContact O-N 3.27Å; L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 2.92Å; L101-I104 WeakPolarHBondContact O-CB 3.07Å; L101-I104 PolarHBondContact O-N 3.03Å; L101-I104 VanDerWaalsContact O-N 3.17Å; L101-L105 HydrophobicContact CD1-CD1 4.43Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 4.12Å; L101-L105 HydrophobicContact CG-CD1 4.38Å; L101-L105 HydrophobicContact CG-CG 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 3.14Å; L101-F122 HydrophobicContact CD1-CE1 4.13Å; L101-F122 HydrophobicContact CD1-CZ 3.95Å; L101-L126 HydrophobicContact CD2-CD1 3.83Å; L101-F151 HydrophobicContact CD1-CE2 3.89Å; L101-F151 HydrophobicContact CD1-CZ 3.96Å; L101-L153 HydrophobicContact CB-CD1 4.08Å
102L94.1Very high89.8Confident0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-60.1-39.9178.3-68.9168.3000112.8Y16 F76 Y78 L86 I88 F98 H99 L105 W106Y16-L102 HydrophobicContact CE2-CD2 4.32Å; F76-L102 HydrophobicContact CB-CD1 4.14Å; F76-L102 VanDerWaalsContact O-CD1 3.28Å; F76-L102 WeakPolarHBondContact O-CD1 3.31Å; Y78-L102 HydrophobicContact CG-CB 4.04Å; L86-L102 HydrophobicContact CB-CD2 3.68Å; L86-L102 HydrophobicContact CD2-CD2 4.47Å; I88-L102 HydrophobicContact CD1-CD2 3.83Å; I88-L102 HydrophobicContact CD1-CG 4.02Å; I88-L102 HydrophobicContact CG1-CD2 3.89Å; I88-L102 HydrophobicContact CG1-CG 4.39Å; F98-L102 VanDerWaalsContact O-CG 3.27Å; F98-L102 WeakPolarHBondContact O-CG 3.25Å; F98-L102 PolarHBondContact O-N 3.32Å; H99-L102 PolarHBondContact O-N 3.08Å; L102-L105 PolarHBondContact O-N 2.84Å; L102-W106 PolarHBondContact O-N 3.29Å
103S91.4Very high90Very high19 Ų1931 Ų3113%0.13315%0.147CC..Hα-helixtrans-62.9-43.5174.5-176.30000111.8H99 S100 L101 W106 H107H99-S103 VanDerWaalsContact O-CB 3.27Å; H99-S103 WeakPolarHBondContact O-CB 3.42Å; H99-S103 PolarHBondContact O-N 3.05Å; S100-S103 PolarHBondContact O-N 3.09Å; L101-S103 VanDerWaalsContact C-N 3.32Å; L101-S103 PolarHBondContact O-N 2.92Å; S103-W106 PolarHBondContact O-N 3.08Å; S103-H107 WeakPolarHBondContact O-CB 3.26Å; S103-H107 PolarHBondContact O-CD2 2.98Å; S103-H107 VanDerWaalsContact O-CD2 3.24Å; S103-H107 PolarHBondContact O-N 2.72Å; S103-H107 PolarHBondContact OG-CD2 2.85Å; S103-H107 VanDerWaalsContact OG-CD2 3.28Å
104I89.5Confident90.2Very high18 Ų1836.5 Ų36.59%0.09218%0.18CC..Hα-helixtrans-60.7-47.8172.4-71.8166000110.7S100 L101 W106 H107 H108 L110 F151 L153 Y938S100-I104 VanDerWaalsContact O-CG1 3.29Å; S100-I104 WeakPolarHBondContact O-CG1 3.35Å; S100-I104 PolarHBondContact O-N 2.86Å; L101-I104 WeakPolarHBondContact O-CB 3.07Å; L101-I104 PolarHBondContact O-N 3.03Å; L101-I104 VanDerWaalsContact O-N 3.17Å; I104-W106 VanDerWaalsContact C-N 3.26Å; I104-W106 PolarHBondContact O-N 3.4Å; I104-H107 PolarHBondContact O-N 3.21Å; I104-H108 WeakPolarHBondContact O-CB 3.42Å; I104-H108 PolarHBondContact O-CD2 2.81Å; I104-H108 PolarHBondContact O-N 3.05Å; I104-L110 HydrophobicContact CG2-CD1 4.35Å; I104-F151 HydrophobicContact CD1-CB 4.14Å; I104-F151 HydrophobicContact CD1-CD2 3.88Å; I104-F151 HydrophobicContact CD1-CE2 4.44Å; I104-F151 HydrophobicContact CD1-CG 4.04Å; I104-L153 HydrophobicContact CD1-CD2 4.31Å; I104-Y938 HydrophobicContact CD1-CD1 4.37Å; I104-Y938 HydrophobicContact CD1-CE1 3.88Å; I104-Y938 HydrophobicContact CG1-CE1 4.34Å
105L91.4Very high90.3Very high3 Ų338.7 Ų38.72%0.01619%0.191CC..Hα-helixtrans-58.9-38.8-179.6-68.2-179.6000112.3Y16 L86 L101 L102 L110 Y111 M119 F123Y16-L105 HydrophobicContact CE2-CD1 4.17Å; L86-L105 HydrophobicContact CD2-CB 4.26Å; L101-L105 HydrophobicContact CD1-CD1 4.43Å; L101-L105 HydrophobicContact CD1-CD2 4.33Å; L101-L105 HydrophobicContact CD1-CG 4.12Å; L101-L105 HydrophobicContact CG-CD1 4.38Å; L101-L105 HydrophobicContact CG-CG 4.48Å; L101-L105 WeakPolarHBondContact O-CG 3.43Å; L101-L105 PolarHBondContact O-N 3.14Å; L102-L105 PolarHBondContact O-N 2.84Å; L105-L110 HydrophobicContact CD2-CB 3.85Å; L105-L110 HydrophobicContact CD2-CD1 3.91Å; L105-L110 PolarHBondContact O-N 2.73Å; L105-Y111 PolarHBondContact O-N 3.14Å; L105-M119 HydrophobicContact CD2-CE 3.4Å; L105-M119 HydrophobicContact CD2-SD 3.92Å; L105-F123 HydrophobicContact CD1-CE1 4.37Å; L105-F123 HydrophobicContact CD1-CZ 3.75Å
106W92.6Very high90.4Very high46 Ų4640.6 Ų40.617%0.17420%0.198CC..Hα-helixtrans-72.2-53.3175.4-179.7-106.9000112.6Y78 P80 F84 L86 L102 S103 I104 H108 G109 Y111Y78-W106 HydrophobicContact CD1-CB 4.22Å; Y78-W106 HydrophobicContact CE1-CB 3.53Å; Y78-W106 AromaticContact CE1-CD1 3.84Å; Y78-W106 HydrophobicContact CE1-CD2 4.39Å; Y78-W106 AromaticContact CE1-CG 3.63Å; Y78-W106 HydrophobicContact CE1-CG 3.63Å; P80-W106 HydrophobicContact CB-CD2 3.8Å; P80-W106 HydrophobicContact CB-CE3 4.44Å; P80-W106 HydrophobicContact CB-CG 4.13Å; P80-W106 HydrophobicContact CB-CH2 4.35Å; P80-W106 HydrophobicContact CB-CZ2 3.69Å; P80-W106 HydrophobicContact CG-CD2 3.57Å; P80-W106 HydrophobicContact CG-CE3 3.72Å; P80-W106 HydrophobicContact CG-CG 4.22Å; P80-W106 HydrophobicContact CG-CH2 3.79Å; P80-W106 HydrophobicContact CG-CZ2 3.64Å; P80-W106 HydrophobicContact CG-CZ3 3.82Å; F84-W106 HydrophobicContact CB-CH2 4.33Å; F84-W106 HydrophobicContact CB-CZ3 3.98Å; F84-W106 AromaticContact CD2-CH2 3.68Å; F84-W106 HydrophobicContact CD2-CH2 3.68Å; F84-W106 AromaticContact CD2-CZ3 3.87Å; F84-W106 HydrophobicContact CD2-CZ3 3.87Å; F84-W106 HydrophobicContact CE2-CH2 4.33Å; F84-W106 HydrophobicContact CG-CH2 4.2Å; F84-W106 AromaticContact CG-CZ3 3.95Å; F84-W106 HydrophobicContact CG-CZ3 3.95Å; L86-W106 HydrophobicContact CD1-CE3 4.1Å; L86-W106 HydrophobicContact CD2-CB 4.46Å; L102-W106 PolarHBondContact O-N 3.29Å; S103-W106 PolarHBondContact O-N 3.08Å; I104-W106 VanDerWaalsContact C-N 3.26Å; I104-W106 PolarHBondContact O-N 3.4Å; W106-H108 PolarHBondContact O-N 3.07Å; W106-G109 PolarHBondContact O-N 3.49Å; W106-G109 VanDerWaalsContact O-N 3.09Å; W106-Y111 HydrophobicContact CD2-CD1 4.41Å; W106-Y111 HydrophobicContact CD2-CE1 4.16Å; W106-Y111 AromaticContact CE3-CD1 3.63Å; W106-Y111 HydrophobicContact CE3-CD1 3.63Å; W106-Y111 HydrophobicContact CE3-CD2 4.26Å; W106-Y111 AromaticContact CE3-CE1 3.51Å; W106-Y111 HydrophobicContact CE3-CE1 3.51Å; W106-Y111 HydrophobicContact CE3-CE2 4.16Å; W106-Y111 HydrophobicContact CE3-CG 4.02Å; W106-Y111 AromaticContact CE3-CZ 3.81Å; W106-Y111 HydrophobicContact CH2-CE1 4.41Å; W106-Y111 HydrophobicContact CH2-CE2 4.42Å; W106-Y111 HydrophobicContact CZ3-CD1 4.1Å; W106-Y111 HydrophobicContact CZ3-CD2 4.04Å; W106-Y111 AromaticContact CZ3-CE1 3.67Å; W106-Y111 HydrophobicContact CZ3-CE1 3.67Å; W106-Y111 AromaticContact CZ3-CE2 3.62Å; W106-Y111 HydrophobicContact CZ3-CE2 3.62Å; W106-Y111 HydrophobicContact CZ3-CG 4.27Å; W106-Y111 AromaticContact CZ3-CZ 3.43Å; W106-Y111 VanDerWaalsContact CZ3-CZ 3.43Å
107H89.8Confident90.7Very high102 Ų10243.4 Ų43.447%0.47222%0.221SC..Hα-helixtrans-70-29.2-171.9-72-42.4000114.1S103 I104 G109S103-H107 WeakPolarHBondContact O-CB 3.26Å; S103-H107 PolarHBondContact O-CD2 2.98Å; S103-H107 VanDerWaalsContact O-CD2 3.24Å; S103-H107 PolarHBondContact O-N 2.72Å; S103-H107 PolarHBondContact OG-CD2 2.85Å; S103-H107 VanDerWaalsContact OG-CD2 3.28Å; I104-H107 PolarHBondContact O-N 3.21Å; H107-G109 VanDerWaalsContact C-N 3.33Å
108H86.5Confident90.7Very high114 Ų11446.6 Ų46.653%0.52824%0.237SC..THydrogen-bonded Turntrans-89.96.1173-68.3-87.5000113.4I104 W106 L110I104-H108 WeakPolarHBondContact O-CB 3.42Å; I104-H108 PolarHBondContact O-CD2 2.81Å; I104-H108 PolarHBondContact O-N 3.05Å; W106-H108 PolarHBondContact O-N 3.07Å; H108-L110 HydrophobicContact CB-CD1 3.97Å; H108-L110 HydrophobicContact CB-CG 4.14Å; H108-L110 PolarHBondContact O-N 3.44Å; H108-L110 VanDerWaalsContact O-N 3.16Å
109G88.7Confident90.6Very high12 Ų1246.6 Ų46.612%0.12424%0.237CC..SBendtrans72.31177.800000115.4W106 H107 Y111 R112 H115W106-G109 PolarHBondContact O-N 3.49Å; W106-G109 VanDerWaalsContact O-N 3.09Å; H107-G109 VanDerWaalsContact C-N 3.33Å; G109-Y111 PolarHBondContact O-N 3.31Å; G109-R112 VanDerWaalsContact O-CB 3.26Å; G109-R112 WeakPolarHBondContact O-CB 3.19Å; G109-R112 WeakPolarHBondContact O-CG 3.36Å; G109-R112 PolarHBondContact O-N 2.83Å; G109-H115 PolarHBondContact O-CD2 3.19Å
110L89.6Confident90.6Very high6 Ų650.1 Ų50.13%0.03125%0.254CS..THydrogen-bonded Turntrans-55.5-22.6-176-70.3159.9000114.2I104 L105 H108 R112 M119 P144 F145I104-L110 HydrophobicContact CG2-CD1 4.35Å; L105-L110 HydrophobicContact CD2-CB 3.85Å; L105-L110 HydrophobicContact CD2-CD1 3.91Å; L105-L110 PolarHBondContact O-N 2.73Å; H108-L110 HydrophobicContact CB-CD1 3.97Å; H108-L110 HydrophobicContact CB-CG 4.14Å; H108-L110 PolarHBondContact O-N 3.44Å; H108-L110 VanDerWaalsContact O-N 3.16Å; L110-R112 PolarHBondContact O-N 3.42Å; L110-M119 HydrophobicContact CB-CG 4.33Å; L110-M119 HydrophobicContact CB-SD 3.9Å; L110-M119 HydrophobicContact CD1-SD 4.46Å; L110-M119 HydrophobicContact CD2-CG 4.39Å; L110-M119 HydrophobicContact CD2-SD 3.75Å; L110-M119 HydrophobicContact CG-SD 4.25Å; L110-M119 WeakPolarHBondContact O-CG 3.33Å; L110-P144 HydrophobicContact CD2-CB 4.04Å; L110-P144 HydrophobicContact CD2-CG 4.13Å; L110-F145 HydrophobicContact CD2-CD2 4.04Å; L110-F145 HydrophobicContact CD2-CE1 3.98Å; L110-F145 HydrophobicContact CD2-CE2 3.34Å; L110-F145 HydrophobicContact CD2-CZ 3.31Å; L110-F145 HydrophobicContact CG-CE2 3.84Å; L110-F145 HydrophobicContact CG-CZ 4.11Å
111Y90.8Very high90.6Very high36 Ų3652.8 Ų52.814%0.14127%0.27CS..THydrogen-bonded Turntrans-65.2-16.117375.5-84.4000114.3L18 L105 W106 G109L18-Y111 HydrophobicContact CD2-CD2 4.37Å; L18-Y111 WeakPolarHBondContact CD2-O 3.21Å; L105-Y111 PolarHBondContact O-N 3.14Å; W106-Y111 HydrophobicContact CD2-CD1 4.41Å; W106-Y111 HydrophobicContact CD2-CE1 4.16Å; W106-Y111 AromaticContact CE3-CD1 3.63Å; W106-Y111 HydrophobicContact CE3-CD1 3.63Å; W106-Y111 HydrophobicContact CE3-CD2 4.26Å; W106-Y111 AromaticContact CE3-CE1 3.51Å; W106-Y111 HydrophobicContact CE3-CE1 3.51Å; W106-Y111 HydrophobicContact CE3-CE2 4.16Å; W106-Y111 HydrophobicContact CE3-CG 4.02Å; W106-Y111 AromaticContact CE3-CZ 3.81Å; W106-Y111 HydrophobicContact CH2-CE1 4.41Å; W106-Y111 HydrophobicContact CH2-CE2 4.42Å; W106-Y111 HydrophobicContact CZ3-CD1 4.1Å; W106-Y111 HydrophobicContact CZ3-CD2 4.04Å; W106-Y111 AromaticContact CZ3-CE1 3.67Å; W106-Y111 HydrophobicContact CZ3-CE1 3.67Å; W106-Y111 AromaticContact CZ3-CE2 3.62Å; W106-Y111 HydrophobicContact CZ3-CE2 3.62Å; W106-Y111 HydrophobicContact CZ3-CG 4.27Å; W106-Y111 AromaticContact CZ3-CZ 3.43Å; W106-Y111 VanDerWaalsContact CZ3-CZ 3.43Å; G109-Y111 PolarHBondContact O-N 3.31Å
112R92Very high90.5Very high139 Ų13953.8 Ų53.853%0.52528%0.275SS..SBendtrans-76.3146.9-177.1-65.8173.3178.7-162.3-0.2111.9G109 L110 V114 H115G109-R112 VanDerWaalsContact O-CB 3.26Å; G109-R112 WeakPolarHBondContact O-CB 3.19Å; G109-R112 WeakPolarHBondContact O-CG 3.36Å; G109-R112 PolarHBondContact O-N 2.83Å; L110-R112 PolarHBondContact O-N 3.42Å; R112-V114 PolarHBondContact O-N 2.73Å; R112-V114 VanDerWaalsContact O-N 3.14Å; R112-H115 PolarHBondContact O-N 3.15Å
113D91.3Very high90.4Very high79 Ų7953.9 Ų53.942%0.42228%0.275SS..G310 helixtrans-58.5-32.4-174.8-49.7-60.6000113.4K29 R30 H115 W116K29-D113 VanDerWaalsContact CE-OD2 3.28Å; K29-D113 WeakPolarHBondContact CE-OD2 3.44Å; R30-D113 IonicContact CZ-OD1 3.47Å; R30-D113 IonicContact NH1-OD1 3.26Å; R30-D113 PolarHBondContact NH1-OD1 3.16Å; R30-D113 IonicContact NH2-OD1 3.4Å; R30-D113 PolarHBondContact NH2-OD1 3.43Å; D113-H115 PolarHBondContact O-N 3.44Å; D113-H115 VanDerWaalsContact O-N 3.16Å; D113-W116 WeakPolarHBondContact O-CB 3.28Å; D113-W116 PolarHBondContact O-N 3.49Å; D113-W116 VanDerWaalsContact O-N 3.11Å
114V91.5Very high90.3Very high119 Ų11955.7 Ų55.772%0.72129%0.288SS*.G310 helixtrans-58.1-25175.9-1780000113.3R112R112-V114 PolarHBondContact O-N 2.73Å; R112-V114 VanDerWaalsContact O-N 3.14Å
115H90.9Very high90.2Very high47 Ų4760.7 Ų60.722%0.21831%0.311CS..G310 helixtrans-104.53.8-178.3-54.4-48.7000113.1G109 R112 D113 S117 I118 M119 F145G109-H115 PolarHBondContact O-CD2 3.19Å; R112-H115 PolarHBondContact O-N 3.15Å; D113-H115 PolarHBondContact O-N 3.44Å; D113-H115 VanDerWaalsContact O-N 3.16Å; H115-S117 VanDerWaalsContact C-N 3.32Å; H115-S117 PolarHBondContact O-N 2.99Å; H115-I118 PolarHBondContact O-N 3.4Å; H115-I118 VanDerWaalsContact O-N 3.12Å; H115-M119 PolarHBondContact O-N 2.92Å; H115-M119 VanDerWaalsContact O-N 3.12Å; H115-F145 HydrophobicContact CB-CE1 4.27Å; H115-F145 HydrophobicContact CB-CZ 4.18Å; H115-F145 AromaticContact CD2-CZ 3.84Å; H115-F145 AromaticContact CE1-CZ 3.79Å; H115-F145 AromaticContact CG-CE1 3.84Å; H115-F145 AromaticContact CG-CZ 3.59Å; H115-F145 AromaticContact ND1-CE1 3.5Å; H115-F145 AromaticContact ND1-CZ 3.57Å; H115-F145 AromaticContact NE2-CZ 3.97Å
116W91.7Very high90Very high40 Ų4061 Ų6115%0.15231%0.312CS..Hα-helixtrans-62.4-37-172.7-176.1-112.7000113.5R30 Y32 D113 I118 M119 E120 F123R30-W116 HydrophobicContact CG-CH2 4.44Å; R30-W116 HydrophobicContact CG-CZ3 4.48Å; Y32-W116 HydrophobicContact CD2-CH2 4.15Å; Y32-W116 AromaticContact CD2-CZ2 3.99Å; Y32-W116 HydrophobicContact CD2-CZ2 3.99Å; Y32-W116 HydrophobicContact CG-CH2 4.26Å; D113-W116 WeakPolarHBondContact O-CB 3.28Å; D113-W116 PolarHBondContact O-N 3.49Å; D113-W116 VanDerWaalsContact O-N 3.11Å; W116-I118 PolarHBondContact O-N 3.31Å; W116-I118 VanDerWaalsContact O-N 3.08Å; W116-M119 HydrophobicContact CE3-CB 3.65Å; W116-M119 HydrophobicContact CZ3-CB 3.76Å; W116-M119 PolarHBondContact O-N 3.46Å; W116-E120 HydrophobicContact CD2-CB 4.35Å; W116-E120 HydrophobicContact CH2-CB 4.2Å; W116-E120 HydrophobicContact CZ2-CB 3.59Å; W116-E120 HydrophobicContact CZ2-CG 3.72Å; W116-E120 PolarHBondContact NE1-OE2 3.13Å; W116-E120 PolarHBondContact O-N 2.78Å; W116-F123 AromaticContact CH2-CD2 3.93Å; W116-F123 HydrophobicContact CH2-CD2 3.93Å; W116-F123 HydrophobicContact CH2-CE2 4.42Å; W116-F123 AromaticContact CZ3-CD2 3.83Å; W116-F123 HydrophobicContact CZ3-CD2 3.83Å; W116-F123 AromaticContact CZ3-CE2 3.94Å; W116-F123 HydrophobicContact CZ3-CE2 3.94Å
117S90Very high89.8Confident92 Ų9260.3 Ų60.364%0.64331%0.312SS*.Hα-helixtrans-58.2-22.3176.752.30000114.6H115 P121H115-S117 VanDerWaalsContact C-N 3.32Å; H115-S117 PolarHBondContact O-N 2.99Å; S117-P121 VanDerWaalsContact O-CD 3.27Å; S117-P121 WeakPolarHBondContact O-CD 3.47Å
118I88.3Confident89.7Confident69 Ų6959 Ų5935%0.35431%0.314SS..Hα-helixtrans-99.4-29.8176-34.9-179.4000111H115 W116 F122 P144 F145H115-I118 PolarHBondContact O-N 3.4Å; H115-I118 VanDerWaalsContact O-N 3.12Å; W116-I118 PolarHBondContact O-N 3.31Å; W116-I118 VanDerWaalsContact O-N 3.08Å; I118-F122 PolarHBondContact O-N 3.26Å; I118-P144 HydrophobicContact CB-CB 4.38Å; I118-P144 HydrophobicContact CG2-CB 3.71Å; I118-P144 WeakPolarHBondContact CG2-O 3.48Å; I118-F145 HydrophobicContact CD1-CD1 4.02Å; I118-F145 HydrophobicContact CD1-CE1 4.06Å
119M90.3Very high89.5Confident2 Ų254.6 Ų54.61%0.0130%0.297CS..Hα-helixtrans-74.9-32.2178.2-74.6-53.5-49.200113.9L105 L110 H115 W116 F122 F123 P144L105-M119 HydrophobicContact CD2-CE 3.4Å; L105-M119 HydrophobicContact CD2-SD 3.92Å; L110-M119 HydrophobicContact CB-CG 4.33Å; L110-M119 HydrophobicContact CB-SD 3.9Å; L110-M119 HydrophobicContact CD1-SD 4.46Å; L110-M119 HydrophobicContact CD2-CG 4.39Å; L110-M119 HydrophobicContact CD2-SD 3.75Å; L110-M119 HydrophobicContact CG-SD 4.25Å; L110-M119 WeakPolarHBondContact O-CG 3.33Å; H115-M119 PolarHBondContact O-N 2.92Å; H115-M119 VanDerWaalsContact O-N 3.12Å; W116-M119 HydrophobicContact CE3-CB 3.65Å; W116-M119 HydrophobicContact CZ3-CB 3.76Å; W116-M119 PolarHBondContact O-N 3.46Å; M119-F122 HydrophobicContact CE-CB 4.45Å; M119-F122 HydrophobicContact CE-CD1 3.41Å; M119-F122 VanDerWaalsContact CE-CD1 3.41Å; M119-F122 HydrophobicContact CE-CE1 3.95Å; M119-F122 HydrophobicContact CE-CG 4.17Å; M119-F122 WeakPolarHBondContact O-CB 3.35Å; M119-F122 PolarHBondContact O-N 3.45Å; M119-F122 HydrophobicContact SD-CD1 4.41Å; M119-F123 HydrophobicContact CB-CD2 4.42Å; M119-F123 HydrophobicContact CB-CE2 4.39Å; M119-F123 HydrophobicContact CE-CD2 3.83Å; M119-F123 HydrophobicContact CE-CE1 4.48Å; M119-F123 HydrophobicContact CE-CE2 3.31Å; M119-F123 HydrophobicContact CE-CZ 3.7Å; M119-F123 WeakPolarHBondContact O-CD2 3.43Å; M119-F123 PolarHBondContact O-N 3.36Å; M119-P144 HydrophobicContact SD-CG 4.03Å
120E91.5Very high89.2Confident82 Ų8260.1 Ų60.138%0.38332%0.322SS..Hα-helixtrans-64.4-50179-169.2178.3142.700112.2Y32 W116 F122 F123 S124Y32-E120 HydrophobicContact CD2-CG 4.07Å; Y32-E120 HydrophobicContact CE2-CG 3.66Å; W116-E120 HydrophobicContact CD2-CB 4.35Å; W116-E120 HydrophobicContact CH2-CB 4.2Å; W116-E120 HydrophobicContact CZ2-CB 3.59Å; W116-E120 HydrophobicContact CZ2-CG 3.72Å; W116-E120 PolarHBondContact NE1-OE2 3.13Å; W116-E120 PolarHBondContact O-N 2.78Å; E120-F122 VanDerWaalsContact C-N 3.27Å; E120-F122 PolarHBondContact O-N 2.82Å; E120-F123 PolarHBondContact O-N 2.78Å; E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 2.75Å
121P89.9Confident88.8Confident81 Ų8160 Ų6053%0.52632%0.322SS..Hα-helixtrans-59.3-35.6170.7-24.534.9000113.5S117 S124 H125S117-P121 VanDerWaalsContact O-CD 3.27Å; S117-P121 WeakPolarHBondContact O-CD 3.47Å; P121-S124 WeakPolarHBondContact O-CB 3.38Å; P121-S124 PolarHBondContact O-N 2.91Å; P121-H125 WeakPolarHBondContact O-CB 3.33Å; P121-H125 PolarHBondContact O-N 3.03Å
122F88.8Confident88.4Confident23 Ų2359.8 Ų59.810%0.10133%0.325CS..Hα-helixtrans-65-46.1178171.8-89.9000112.3L101 I118 M119 E120 H125 L126 C141 P144 F151L101-F122 HydrophobicContact CD1-CE1 4.13Å; L101-F122 HydrophobicContact CD1-CZ 3.95Å; I118-F122 PolarHBondContact O-N 3.26Å; M119-F122 HydrophobicContact CE-CB 4.45Å; M119-F122 HydrophobicContact CE-CD1 3.41Å; M119-F122 VanDerWaalsContact CE-CD1 3.41Å; M119-F122 HydrophobicContact CE-CE1 3.95Å; M119-F122 HydrophobicContact CE-CG 4.17Å; M119-F122 WeakPolarHBondContact O-CB 3.35Å; M119-F122 PolarHBondContact O-N 3.45Å; M119-F122 HydrophobicContact SD-CD1 4.41Å; E120-F122 VanDerWaalsContact C-N 3.27Å; E120-F122 PolarHBondContact O-N 2.82Å; F122-H125 PolarHBondContact O-N 2.89Å; F122-L126 HydrophobicContact CD1-CD1 4.18Å; F122-L126 HydrophobicContact CE1-CD1 3.4Å; F122-L126 HydrophobicContact CE1-CG 4.18Å; F122-L126 HydrophobicContact CE2-CD1 4.44Å; F122-L126 HydrophobicContact CZ-CD1 3.54Å; F122-L126 HydrophobicContact CZ-CG 4.17Å; F122-L126 PolarHBondContact O-N 2.77Å; F122-C141 HydrophobicContact CE2-CB 4.18Å; F122-P144 HydrophobicContact CD2-CG 4.21Å; F122-P144 HydrophobicContact CG-CG 4.44Å; F122-F151 HydrophobicContact CE2-CE1 4.4Å; F122-F151 AromaticContact CE2-CZ 3.8Å; F122-F151 HydrophobicContact CE2-CZ 3.8Å; F122-F151 HydrophobicContact CZ-CE2 4.47Å; F122-F151 AromaticContact CZ-CZ 3.7Å; F122-F151 HydrophobicContact CZ-CZ 3.7Å
123F91.1Very high87.8Confident3 Ų363.3 Ų63.31%0.01334%0.338CS..Hα-helixtrans-69.1-36.7175.1-75.2-62.4000112.1Y16 Y32 L105 W116 M119 E120 H125 L126 I127Y16-F123 HydrophobicContact CD1-CD2 4.3Å; Y16-F123 HydrophobicContact CD1-CE1 4.33Å; Y16-F123 AromaticContact CD1-CE2 3.63Å; Y16-F123 HydrophobicContact CD1-CE2 3.63Å; Y16-F123 AromaticContact CD1-CZ 3.64Å; Y16-F123 HydrophobicContact CD1-CZ 3.64Å; Y16-F123 AromaticContact CD2-CE1 3.89Å; Y16-F123 HydrophobicContact CD2-CE1 3.89Å; Y16-F123 HydrophobicContact CD2-CE2 4.39Å; Y16-F123 AromaticContact CD2-CZ 3.56Å; Y16-F123 HydrophobicContact CD2-CZ 3.56Å; Y16-F123 AromaticContact CE1-CE2 3.86Å; Y16-F123 HydrophobicContact CE1-CE2 3.86Å; Y16-F123 AromaticContact CE1-CZ 3.93Å; Y16-F123 HydrophobicContact CE1-CZ 3.93Å; Y16-F123 AromaticContact CE2-CZ 3.86Å; Y16-F123 HydrophobicContact CE2-CZ 3.86Å; Y16-F123 HydrophobicContact CG-CD1 4.43Å; Y16-F123 AromaticContact CG-CE1 3.75Å; Y16-F123 HydrophobicContact CG-CE1 3.75Å; Y16-F123 AromaticContact CG-CE2 3.91Å; Y16-F123 HydrophobicContact CG-CE2 3.91Å; Y16-F123 AromaticContact CG-CZ 3.44Å; Y16-F123 HydrophobicContact CG-CZ 3.44Å; Y16-F123 VanDerWaalsContact CG-CZ 3.44Å; Y32-F123 HydrophobicContact CD1-CB 3.47Å; Y32-F123 VanDerWaalsContact CD1-CB 3.47Å; Y32-F123 HydrophobicContact CD1-CG 4.41Å; Y32-F123 HydrophobicContact CE1-CB 3.74Å; Y32-F123 HydrophobicContact CG-CB 4.1Å; L105-F123 HydrophobicContact CD1-CE1 4.37Å; L105-F123 HydrophobicContact CD1-CZ 3.75Å; W116-F123 AromaticContact CH2-CD2 3.93Å; W116-F123 HydrophobicContact CH2-CD2 3.93Å; W116-F123 HydrophobicContact CH2-CE2 4.42Å; W116-F123 AromaticContact CZ3-CD2 3.83Å; W116-F123 HydrophobicContact CZ3-CD2 3.83Å; W116-F123 AromaticContact CZ3-CE2 3.94Å; W116-F123 HydrophobicContact CZ3-CE2 3.94Å; M119-F123 HydrophobicContact CB-CD2 4.42Å; M119-F123 HydrophobicContact CB-CE2 4.39Å; M119-F123 HydrophobicContact CE-CD2 3.83Å; M119-F123 HydrophobicContact CE-CE1 4.48Å; M119-F123 HydrophobicContact CE-CE2 3.31Å; M119-F123 HydrophobicContact CE-CZ 3.7Å; M119-F123 WeakPolarHBondContact O-CD2 3.43Å; M119-F123 PolarHBondContact O-N 3.36Å; E120-F123 PolarHBondContact O-N 2.78Å; F123-H125 VanDerWaalsContact C-N 3.31Å; F123-H125 PolarHBondContact O-N 3.31Å; F123-L126 PolarHBondContact O-N 3.32Å; F123-I127 WeakPolarHBondContact O-CG1 3.44Å; F123-I127 PolarHBondContact O-N 2.96Å
124S90.5Very high86.9Confident57 Ų5763.2 Ų63.240%0.39934%0.337SS..Hα-helixtrans-54.8-47.9171.4-164.60000111.4Y32 E120 P121 L126 I127 S128Y32-S124 WeakPolarHBondContact OH-CA 3.32Å; Y32-S124 WeakPolarHBondContact OH-CB 3.21Å; Y32-S124 PolarHBondContact OH-OG 2.91Å; E120-S124 WeakPolarHBondContact O-CB 3.33Å; E120-S124 PolarHBondContact O-N 2.75Å; P121-S124 WeakPolarHBondContact O-CB 3.38Å; P121-S124 PolarHBondContact O-N 2.91Å; S124-L126 PolarHBondContact O-N 2.74Å; S124-I127 PolarHBondContact O-N 3.47Å; S124-S128 PolarHBondContact O-N 3.3Å; S124-S128 PolarHBondContact O-OG 3.05Å
125H86.8Confident86Confident123 Ų12362.6 Ų62.657%0.56934%0.336SS*.Hα-helixtrans-59.3-47.7174.6-174.367.6000112P121 F122 F123 I127 S128 A129P121-H125 WeakPolarHBondContact O-CB 3.33Å; P121-H125 PolarHBondContact O-N 3.03Å; F122-H125 PolarHBondContact O-N 2.89Å; F123-H125 VanDerWaalsContact C-N 3.31Å; F123-H125 PolarHBondContact O-N 3.31Å; H125-I127 PolarHBondContact O-N 2.84Å; H125-S128 WeakPolarHBondContact CA-OG 3.31Å; H125-S128 CarbonylContact O-C 3.58Å; H125-S128 PolarHBondContact O-N 3Å; H125-S128 VanDerWaalsContact O-N 3.16Å; H125-S128 PolarHBondContact O-OG 3.47Å; H125-A129 WeakPolarHBondContact O-CB 3.29Å; H125-A129 PolarHBondContact O-N 3.35Å
126L87.3Confident85.4Confident9 Ų964.2 Ų64.25%0.04735%0.345CS..Hα-helixtrans-65.5-31.3-179.7-70.4-174.6000114.7I13 L101 F122 F123 S124I13-L126 HydrophobicContact CD1-CB 4.04Å; I13-L126 HydrophobicContact CD1-CD1 3.76Å; L101-L126 HydrophobicContact CD2-CD1 3.83Å; F122-L126 HydrophobicContact CD1-CD1 4.18Å; F122-L126 HydrophobicContact CE1-CD1 3.4Å; F122-L126 HydrophobicContact CE1-CG 4.18Å; F122-L126 HydrophobicContact CE2-CD1 4.44Å; F122-L126 HydrophobicContact CZ-CD1 3.54Å; F122-L126 HydrophobicContact CZ-CG 4.17Å; F122-L126 PolarHBondContact O-N 2.77Å; F123-L126 PolarHBondContact O-N 3.32Å; S124-L126 PolarHBondContact O-N 2.74Å
127I89.4Confident84.8Confident32 Ų3263.3 Ų63.316%0.16434%0.343CS..Hα-helixtrans-71.7-40.6172-64.9-175.2000110H11 I13 Y32 P33 F123 S124 H125 A129H11-I127 WeakPolarHBondContact CB-O 3.46Å; H11-I127 PolarHBondContact ND1-O 2.9Å; I13-I127 HydrophobicContact CB-CG1 4.34Å; I13-I127 HydrophobicContact CG2-CG1 4.16Å; Y32-I127 HydrophobicContact CD1-CD1 3.81Å; Y32-I127 HydrophobicContact CE1-CD1 3.7Å; Y32-I127 HydrophobicContact CE1-CG1 4.48Å; P33-I127 HydrophobicContact CG-CD1 3.92Å; F123-I127 WeakPolarHBondContact O-CG1 3.44Å; F123-I127 PolarHBondContact O-N 2.96Å; S124-I127 PolarHBondContact O-N 3.47Å; H125-I127 PolarHBondContact O-N 2.84Å; I127-A129 PolarHBondContact O-N 3.24Å
128S86Confident84.4Confident74 Ų7464.3 Ų64.352%0.51733%0.333SS..Hα-helixtrans-70.1-17.7174.9770000114.4S124 H125 I130S124-S128 PolarHBondContact O-N 3.3Å; S124-S128 PolarHBondContact O-OG 3.05Å; H125-S128 WeakPolarHBondContact CA-OG 3.31Å; H125-S128 CarbonylContact O-C 3.58Å; H125-S128 PolarHBondContact O-N 3Å; H125-S128 VanDerWaalsContact O-N 3.16Å; H125-S128 PolarHBondContact O-OG 3.47Å; S128-I130 PolarHBondContact O-N 3.37Å
129A83.5Confident84Confident21 Ų2162.3 Ų62.317%0.17432%0.323CS..PPolyproline II helixtrans-72.8117.7-170.400000112.4T12 H125 I127T12-A129 WeakPolarHBondContact CB-O 3.32Å; T12-A129 PolarHBondContact N-O 3Å; T12-A129 VanDerWaalsContact N-O 3.1Å; T12-A129 PolarHBondContact OG1-O 2.83Å; H125-A129 WeakPolarHBondContact O-CB 3.29Å; H125-A129 PolarHBondContact O-N 3.35Å; I127-A129 PolarHBondContact O-N 3.24Å
130I82.3Confident83.5Confident128 Ų12868.3 Ų68.366%0.65635%0.351SS*.PPolyproline II helixtrans-69.1133.5169.7-59.7175.6000108.9S128S128-I130 PolarHBondContact O-N 3.37Å
131P81.2Confident82.7Confident4 Ų464.8 Ų64.83%0.02634%0.335CS..PPolyproline II helixtrans-59.1134.6178.728-40.3000112R7 L9 F92 W94 R133R7-P131 HydrophobicContact CB-CB 4.08Å; R7-P131 HydrophobicContact CB-CG 4.13Å; R7-P131 WeakPolarHBondContact O-CG 3.32Å; L9-P131 WeakPolarHBondContact O-CD 3.27Å; L9-P131 WeakPolarHBondContact O-CG 3.44Å; F92-P131 HydrophobicContact CE2-CB 3.94Å; F92-P131 HydrophobicContact CE2-CG 4Å; F92-P131 HydrophobicContact CZ-CB 3.95Å; F92-P131 HydrophobicContact CZ-CG 3.74Å; W94-P131 HydrophobicContact CH2-CB 3.76Å; W94-P131 HydrophobicContact CZ2-CB 4.28Å; P131-R133 PolarHBondContact O-N 3.08Å
132P81.9Confident81.8Confident31 Ų3164 Ų6420%0.20134%0.335CS..PPolyproline II helixtrans-59.4135.2179-25.734.7000112.2R7 I136 I139 I155R7-P132 WeakPolarHBondContact CD-O 3.24Å; R7-P132 PolarHBondContact NH1-O 3.4Å; P132-I136 HydrophobicContact CB-CB 3.99Å; P132-I136 HydrophobicContact CB-CD1 3.96Å; P132-I136 HydrophobicContact CB-CG2 3.8Å; P132-I139 HydrophobicContact CG-CG1 4.39Å; P132-I155 HydrophobicContact CB-CD1 4.31Å; P132-I155 HydrophobicContact CG-CD1 3.91Å
133R79.9Confident80.9Confident213 Ų21364.5 Ų64.580%0.80434%0.339SS*.PPolyproline II helixtrans-68.2152.7179-65.2-176.9-178.3170.82.6112P131 I136P131-R133 PolarHBondContact O-N 3.08Å; R133-I136 VanDerWaalsContact O-CB 3.24Å; R133-I136 WeakPolarHBondContact O-CB 3.2Å; R133-I136 VanDerWaalsContact O-CG1 3.29Å; R133-I136 WeakPolarHBondContact O-CG1 3.29Å; R133-I136 PolarHBondContact O-N 3.4Å; R133-I136 VanDerWaalsContact O-N 3.08Å
134L72.1Confident79.8Confident78 Ų7865.5 Ų65.541%0.40835%0.346SS..THydrogen-bonded Turntrans-59.5143.5168.6-69172.7000109.9T157 P158L134-T157 HydrophobicContact CD2-CG2 4.4Å; L134-P158 HydrophobicContact CD1-CG 4.21Å
135P72.2Confident78.7Confident105 Ų10567.1 Ų67.168%0.68235%0.346SS*.THydrogen-bonded Turncis-95.724.711.539.4-37.7000114.8D137P135-D137 PolarHBondContact O-N 3.48Å
136I79.3Confident77.8Confident81 Ų8164.2 Ų64.242%0.41533%0.334SS..  trans-65127-178.1-60.2170.2000110.3R7 P132 R133 R138R7-I136 PolarHBondContact NH1-O 2.85Å; R7-I136 PolarHBondContact NH2-O 3.22Å; P132-I136 HydrophobicContact CB-CB 3.99Å; P132-I136 HydrophobicContact CB-CD1 3.96Å; P132-I136 HydrophobicContact CB-CG2 3.8Å; R133-I136 VanDerWaalsContact O-CB 3.24Å; R133-I136 WeakPolarHBondContact O-CB 3.2Å; R133-I136 VanDerWaalsContact O-CG1 3.29Å; R133-I136 WeakPolarHBondContact O-CG1 3.29Å; R133-I136 PolarHBondContact O-N 3.4Å; R133-I136 VanDerWaalsContact O-N 3.08Å; I136-R138 HydrophobicContact CG2-CG 4.48Å; I136-R138 WeakPolarHBondContact CG2-O 3.24Å
137D79.5Confident76.8Confident22 Ų2268.6 Ų68.612%0.11836%0.364CS..  trans-104.110-175.562.218.1000114.1P135 R154 I155 T157 R933P135-D137 PolarHBondContact O-N 3.48Å; D137-R154 WeakPolarHBondContact O-CA 3.47Å; D137-I155 PolarHBondContact O-N 3.44Å; D137-T157 HydrophobicContact CB-CG2 3.89Å; D137-R933 IonicContact OD2-CZ 3.17Å; D137-R933 VanDerWaalsContact OD2-CZ 3.26Å; D137-R933 IonicContact OD2-NE 3.59Å; D137-R933 PolarHBondContact OD2-NE 2.91Å; D137-R933 IonicContact OD2-NH2 3.51Å; D137-R933 PolarHBondContact OD2-NH2 3.38Å
138R80.2Confident75.5Confident113 Ų11370.2 Ų70.243%0.42638%0.378SS..EExtended strand (participates in β ladder)trans-154155.7-173.268.5-163.666.3-165.7-1.2114.6I136 V152 L153I136-R138 HydrophobicContact CG2-CG 4.48Å; I136-R138 WeakPolarHBondContact CG2-O 3.24Å; R138-V152 HydrophobicContact CB-CG1 3.8Å; R138-V152 HydrophobicContact CG-CG1 4.19Å; R138-L153 CarbonylContact C-O 3.56Å; R138-L153 WeakPolarHBondContact CA-O 2.96Å; R138-L153 VanDerWaalsContact CB-O 3.29Å; R138-L153 WeakPolarHBondContact CB-O 3.39Å
139I80.9Confident74.5Confident27 Ų2768.9 Ų68.914%0.13836%0.364CS..EExtended strand (participates in β ladder)trans-105.3133.9157.1-49178.8000106.7T12 W94 P132 V152 L153 I155T12-I139 HydrophobicContact CG2-CD1 4.29Å; W94-I139 HydrophobicContact CE3-CD1 4.43Å; W94-I139 HydrophobicContact CZ3-CD1 3.92Å; P132-I139 HydrophobicContact CG-CG1 4.39Å; I139-V152 CarbonylContact O-C 3.51Å; I139-V152 WeakPolarHBondContact O-CA 3.46Å; I139-L153 PolarHBondContact N-O 3.16Å; I139-L153 PolarHBondContact O-N 3.04Å; I139-I155 HydrophobicContact CD1-CD1 4.42Å; I139-I155 HydrophobicContact CG1-CD1 3.63Å; I139-I155 HydrophobicContact CG1-CG1 3.87Å
140Q79.2Confident73.8Confident127 Ų12768 Ų6859%0.59336%0.357SS*.EExtended strand (participates in β ladder)trans-103113.7164.9179.9172-11.500107.8V152Q140-V152 HydrophobicContact CG-CG2 4.44Å
141C74.2Confident73.4Confident9 Ų963 Ų636%0.06133%0.33CS..EExtended strand (participates in β ladder)trans-98136.9175.1-630000109.1F122 G150 F151F122-C141 HydrophobicContact CE2-CB 4.18Å; C141-G150 CarbonylContact O-C 3.43Å; C141-G150 WeakPolarHBondContact O-CA 3.38Å; C141-F151 HydrophobicContact CB-CD1 4.32Å; C141-F151 HydrophobicContact CB-CD2 3.81Å; C141-F151 HydrophobicContact CB-CE1 3.95Å; C141-F151 HydrophobicContact CB-CE2 3.39Å; C141-F151 HydrophobicContact CB-CG 4.26Å; C141-F151 HydrophobicContact CB-CZ 3.48Å; C141-F151 VanDerWaalsContact CB-CZ 3.48Å; C141-F151 PolarHBondContact N-O 2.75Å; C141-F151 PolarHBondContact O-N 3.14Å
142A70.9Confident73.2Confident64 Ų6464.2 Ų64.253%0.52934%0.338SS..EExtended strand (participates in β ladder)trans-61.1138.6164.300000109.1
143N71.2Confident73.1Confident33 Ų3363 Ų6318%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-78.7123.5173.1166.9-7.6000108F145 N146 M149 F151N143-F145 PolarHBondContact O-N 3.46Å; N143-F145 PolarHBondContact OD1-N 3.4Å; N143-F145 VanDerWaalsContact OD1-N 3.08Å; N143-N146 WeakPolarHBondContact CB-O 3.38Å; N143-N146 CarbonylContact O-C 3.39Å; N143-N146 VanDerWaalsContact O-C 3.22Å; N143-N146 PolarHBondContact O-N 3.37Å; N143-M149 WeakPolarHBondContact CB-O 3.46Å; N143-M149 PolarHBondContact ND2-O 3.37Å; N143-F151 HydrophobicContact CB-CD1 4.22Å
144P67.2Low73Confident24 Ų2457.8 Ų57.816%0.15631%0.31CS..THydrogen-bonded Turntrans-49.6-34.7-176.2-31.736.5000114.8L110 I118 M119 F122L110-P144 HydrophobicContact CD2-CB 4.04Å; L110-P144 HydrophobicContact CD2-CG 4.13Å; I118-P144 HydrophobicContact CB-CB 4.38Å; I118-P144 HydrophobicContact CG2-CB 3.71Å; I118-P144 WeakPolarHBondContact CG2-O 3.48Å; M119-P144 HydrophobicContact SD-CG 4.03Å; F122-P144 HydrophobicContact CD2-CG 4.21Å; F122-P144 HydrophobicContact CG-CG 4.44Å
145F67Low73.5Confident92 Ų9254.4 Ų54.440%0.40429%0.292SS..THydrogen-bonded Turntrans-90.8-17.3-178.8-57.6-48.8000114.5L110 H115 I118 N143L110-F145 HydrophobicContact CD2-CD2 4.04Å; L110-F145 HydrophobicContact CD2-CE1 3.98Å; L110-F145 HydrophobicContact CD2-CE2 3.34Å; L110-F145 HydrophobicContact CD2-CZ 3.31Å; L110-F145 HydrophobicContact CG-CE2 3.84Å; L110-F145 HydrophobicContact CG-CZ 4.11Å; H115-F145 HydrophobicContact CB-CE1 4.27Å; H115-F145 HydrophobicContact CB-CZ 4.18Å; H115-F145 AromaticContact CD2-CZ 3.84Å; H115-F145 AromaticContact CE1-CZ 3.79Å; H115-F145 AromaticContact CG-CE1 3.84Å; H115-F145 AromaticContact CG-CZ 3.59Å; H115-F145 AromaticContact ND1-CE1 3.5Å; H115-F145 AromaticContact ND1-CZ 3.57Å; H115-F145 AromaticContact NE2-CZ 3.97Å; I118-F145 HydrophobicContact CD1-CD1 4.02Å; I118-F145 HydrophobicContact CD1-CE1 4.06Å; N143-F145 PolarHBondContact O-N 3.46Å; N143-F145 PolarHBondContact OD1-N 3.4Å; N143-F145 VanDerWaalsContact OD1-N 3.08Å
146N68Low73.8Confident61 Ų6150 Ų5033%0.32626%0.263SS..EExtended strand (participates in β ladder)trans-156.891.4-175.6-175.2-25.7000109.5N143 S148 M149N143-N146 WeakPolarHBondContact CB-O 3.38Å; N143-N146 CarbonylContact O-C 3.39Å; N143-N146 VanDerWaalsContact O-C 3.22Å; N143-N146 PolarHBondContact O-N 3.37Å; N146-S148 PolarHBondContact O-N 3.47Å; N146-S148 VanDerWaalsContact O-N 3.13Å; N146-S148 WeakPolarHBondContact OD1-CB 3.5Å; N146-S148 PolarHBondContact OD1-N 3Å; N146-S148 PolarHBondContact OD1-OG 2.92Å; N146-M149 HydrophobicContact CB-CB 4.09Å; N146-M149 HydrophobicContact CB-CG 4.35Å; N146-M149 WeakPolarHBondContact ND2-CG 3.42Å; N146-M149 PolarHBondContact O-N 3.16Å; N146-M149 PolarHBondContact OD1-N 3.08Å
147P67.4Low73.6Confident102 Ų10247 Ų4766%0.66225%0.249SC*.EExtended strand (participates in β ladder)trans-55.2-33-176.8-29.236.5000114.1M149P147-M149 PolarHBondContact O-N 3.36Å
148S62.1Low73.3Confident65 Ų6546.8 Ų46.846%0.45525%0.249SC..EExtended strand (participates in β ladder)trans-66.5-15.5174.715.80000114.8N146N146-S148 PolarHBondContact O-N 3.47Å; N146-S148 VanDerWaalsContact O-N 3.13Å; N146-S148 WeakPolarHBondContact OD1-CB 3.5Å; N146-S148 PolarHBondContact OD1-N 3Å; N146-S148 PolarHBondContact OD1-OG 2.92Å
149M63.7Low72.9Confident46 Ų4647.6 Ų47.623%0.22726%0.257CS..EExtended strand (participates in β ladder)trans-114.845.5-179.1-65.8-63.1-125.200111.8N143 N146 P147 I940 E942N143-M149 WeakPolarHBondContact CB-O 3.46Å; N143-M149 PolarHBondContact ND2-O 3.37Å; N146-M149 HydrophobicContact CB-CB 4.09Å; N146-M149 HydrophobicContact CB-CG 4.35Å; N146-M149 WeakPolarHBondContact ND2-CG 3.42Å; N146-M149 PolarHBondContact O-N 3.16Å; N146-M149 PolarHBondContact OD1-N 3.08Å; P147-M149 PolarHBondContact O-N 3.36Å; M149-I940 HydrophobicContact CB-CG2 3.95Å; M149-I940 HydrophobicContact CE-CG2 3.84Å; M149-I940 HydrophobicContact CG-CG2 4.22Å; M149-I940 HydrophobicContact SD-CG2 3.42Å; M149-I940 WeakPolarHBondContact SD-CG2 3.43Å; M149-E942 HydrophobicContact CE-CG 3.62Å; M149-E942 HydrophobicContact SD-CB 4.47Å; M149-E942 HydrophobicContact SD-CG 3.49Å; M149-E942 WeakPolarHBondContact SD-CG 3.09Å
150G68.7Low72.6Confident3 Ų348.5 Ų48.53%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-58.5148.5179.100000114.1C141C141-G150 CarbonylContact O-C 3.43Å; C141-G150 WeakPolarHBondContact O-CA 3.38Å
151F74.2Confident72.1Confident22 Ų2242.8 Ų42.810%0.09624%0.24CC..EExtended strand (participates in β ladder)trans-98.9141.7178.254.5-89.8000111.6L101 I104 F122 C141 N143 L153L101-F151 HydrophobicContact CD1-CE2 3.89Å; L101-F151 HydrophobicContact CD1-CZ 3.96Å; I104-F151 HydrophobicContact CD1-CB 4.14Å; I104-F151 HydrophobicContact CD1-CD2 3.88Å; I104-F151 HydrophobicContact CD1-CE2 4.44Å; I104-F151 HydrophobicContact CD1-CG 4.04Å; F122-F151 HydrophobicContact CE2-CE1 4.4Å; F122-F151 AromaticContact CE2-CZ 3.8Å; F122-F151 HydrophobicContact CE2-CZ 3.8Å; F122-F151 HydrophobicContact CZ-CE2 4.47Å; F122-F151 AromaticContact CZ-CZ 3.7Å; F122-F151 HydrophobicContact CZ-CZ 3.7Å; C141-F151 HydrophobicContact CB-CD1 4.32Å; C141-F151 HydrophobicContact CB-CD2 3.81Å; C141-F151 HydrophobicContact CB-CE1 3.95Å; C141-F151 HydrophobicContact CB-CE2 3.39Å; C141-F151 HydrophobicContact CB-CG 4.26Å; C141-F151 HydrophobicContact CB-CZ 3.48Å; C141-F151 VanDerWaalsContact CB-CZ 3.48Å; C141-F151 PolarHBondContact N-O 2.75Å; C141-F151 PolarHBondContact O-N 3.14Å; N143-F151 HydrophobicContact CB-CD1 4.22Å; F151-L153 HydrophobicContact CD2-CD1 4.36Å; F151-L153 HydrophobicContact CD2-CD2 3.91Å; F151-L153 HydrophobicContact CD2-CG 3.93Å; F151-L153 HydrophobicContact CE2-CD1 4.08Å; F151-L153 HydrophobicContact CE2-CD2 4.3Å; F151-L153 HydrophobicContact CE2-CG 4.18Å
152V77Confident72.2Confident30 Ų3043.6 Ų43.618%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-108.4104.2-175.7-177.20000109.5R138 I139 Q140 V941R138-V152 HydrophobicContact CB-CG1 3.8Å; R138-V152 HydrophobicContact CG-CG1 4.19Å; I139-V152 CarbonylContact O-C 3.51Å; I139-V152 WeakPolarHBondContact O-CA 3.46Å; Q140-V152 HydrophobicContact CG-CG2 4.44Å; V152-V941 HydrophobicContact CG2-CG2 4.37Å
153L80.8Confident72.5Confident5 Ų541.2 Ų41.23%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-87.4143.8173.6-54178.2000109.4C97 L101 I104 R138 I139 F151C97-L153 VanDerWaalsContact SG-CB 3.57Å; L101-L153 HydrophobicContact CB-CD1 4.08Å; I104-L153 HydrophobicContact CD1-CD2 4.31Å; R138-L153 CarbonylContact C-O 3.56Å; R138-L153 WeakPolarHBondContact CA-O 2.96Å; R138-L153 VanDerWaalsContact CB-O 3.29Å; R138-L153 WeakPolarHBondContact CB-O 3.39Å; I139-L153 PolarHBondContact N-O 3.16Å; I139-L153 PolarHBondContact O-N 3.04Å; F151-L153 HydrophobicContact CD2-CD1 4.36Å; F151-L153 HydrophobicContact CD2-CD2 3.91Å; F151-L153 HydrophobicContact CD2-CG 3.93Å; F151-L153 HydrophobicContact CE2-CD1 4.08Å; F151-L153 HydrophobicContact CE2-CD2 4.3Å; F151-L153 HydrophobicContact CE2-CG 4.18Å
154R77.1Confident73.1Confident104 Ų10440.2 Ų40.239%0.39222%0.215SC..EExtended strand (participates in β ladder)trans-95.2143.6177.2-72.8-168-179.7170.88.4112.4C97 D137 G935C97-R154 WeakPolarHBondContact CB-O 3.25Å; D137-R154 WeakPolarHBondContact O-CA 3.47Å; R154-G935 VanDerWaalsContact NH1-C 3.32Å; R154-G935 PolarHBondContact NH1-O 3.34Å; R154-G935 PolarHBondContact NH2-O 2.87Å
155I82.4Confident73.9Confident8 Ų842.6 Ų42.64%0.04123%0.226CC..  trans-110.4138.4175-47174.1000108.3W94 P132 D137 I139W94-I155 HydrophobicContact CD2-CG2 3.79Å; W94-I155 VanDerWaalsContact CE2-CG2 3.45Å; W94-I155 HydrophobicContact CE3-CG2 4.29Å; W94-I155 HydrophobicContact CG-CG2 4.25Å; W94-I155 HydrophobicContact CH2-CD1 4.33Å; W94-I155 HydrophobicContact CH2-CG2 4.19Å; W94-I155 HydrophobicContact CZ2-CG2 3.68Å; W94-I155 HydrophobicContact CZ3-CD1 4.43Å; W94-I155 HydrophobicContact CZ3-CG2 4.47Å; P132-I155 HydrophobicContact CB-CD1 4.31Å; P132-I155 HydrophobicContact CG-CD1 3.91Å; D137-I155 PolarHBondContact O-N 3.44Å; I139-I155 HydrophobicContact CD1-CD1 4.42Å; I139-I155 HydrophobicContact CG1-CD1 3.63Å; I139-I155 HydrophobicContact CG1-CG1 3.87Å
156P77.9Confident75.1Confident12 Ų1238.8 Ų38.88%0.07821%0.209CC..  trans-53.8150.9168.324.5-37000112.6L4 R7 W94 Y163L4-P156 VanDerWaalsContact O-CG 3.25Å; L4-P156 WeakPolarHBondContact O-CG 3.26Å; R7-P156 PolarHBondContact NH2-O 3.17Å; W94-P156 VanDerWaalsContact CD1-CG 3.42Å; W94-P156 HydrophobicContact CG-CG 4.25Å; P156-Y163 HydrophobicContact CB-CE1 4.23Å; P156-Y163 HydrophobicContact CG-CE1 4.09Å
157T76.5Confident76.2Confident18 Ų1836 Ų3611%0.1119%0.194CC..BIsolated β-bridgetrans-137.9159.9177.155.20000109.1L134 D137 Q159 S160 P161L134-T157 HydrophobicContact CD2-CG2 4.4Å; D137-T157 HydrophobicContact CB-CG2 3.89Å; T157-Q159 PolarHBondContact O-N 3.49Å; T157-S160 PolarHBondContact N-O 3.43Å; T157-S160 CarbonylContact O-C 3.54Å; T157-S160 PolarHBondContact O-N 2.79Å; T157-S160 VanDerWaalsContact O-O 3.08Å; T157-P161 WeakPolarHBondContact O-CA 3.37Å; T157-P161 VanDerWaalsContact O-N 3.15Å
158P73.4Confident77.3Confident17 Ų1732.5 Ų32.511%0.1117%0.17CC..THydrogen-bonded Turntrans-54.9-33-179.8-28.535.8000113.2C5 L134 S160 L411C5-P158 HydrophobicContact CB-CG 3.97Å; L134-P158 HydrophobicContact CD1-CG 4.21Å; P158-S160 VanDerWaalsContact C-N 3.33Å; P158-L411 HydrophobicContact CB-CD1 3.81Å; P158-L411 HydrophobicContact CB-CG 4.32Å; P158-L411 WeakPolarHBondContact O-CD1 3.11Å
159Q71.9Confident78.7Confident130 Ų13030.4 Ų30.461%0.60715%0.153SC*.THydrogen-bonded Turntrans-78-14.9-179.8-61.974.522.900113.8T157 L411T157-Q159 PolarHBondContact O-N 3.49Å; Q159-L411 HydrophobicContact CG-CD1 4.14Å
160S72.9Confident80.2Confident46 Ų4628.2 Ų28.232%0.32214%0.142SC..BIsolated β-bridgetrans-148.378.8171.9-176.90000108.9T157 P158T157-S160 PolarHBondContact N-O 3.43Å; T157-S160 CarbonylContact O-C 3.54Å; T157-S160 PolarHBondContact O-N 2.79Å; T157-S160 VanDerWaalsContact O-O 3.08Å; P158-S160 VanDerWaalsContact C-N 3.33Å
161P68.4Low81.4Confident8 Ų828.8 Ų28.85%0.05214%0.143CC..  trans-85-20.1-173.433-34000112.6L4 T157 Y214L4-P161 HydrophobicContact CB-CB 4.43Å; L4-P161 HydrophobicContact CD1-CB 3.98Å; T157-P161 WeakPolarHBondContact O-CA 3.37Å; T157-P161 VanDerWaalsContact O-N 3.15Å; P161-Y214 HydrophobicContact CB-CD2 4.24Å; P161-Y214 HydrophobicContact CB-CE2 4.38Å; P161-Y214 HydrophobicContact CB-CG 4.33Å; P161-Y214 HydrophobicContact CG-CD1 3.89Å; P161-Y214 HydrophobicContact CG-CD2 4.45Å; P161-Y214 HydrophobicContact CG-CE1 4.12Å; P161-Y214 HydrophobicContact CG-CG 4.07Å
162H76.3Confident82.3Confident26 Ų2629.1 Ų29.112%0.1215%0.146CC..SBendtrans-86142.8-176.8-48.1-79.8000112.1L164 V167 S211 T339H162-L164 PolarHBondContact O-N 2.8Å; H162-V167 HydrophobicContact CB-CG2 3.96Å; H162-S211 PolarHBondContact CE1-O 2.9Å; H162-S211 PolarHBondContact ND1-OG 3.48Å; H162-T339 HydrophobicContact CB-CG2 4.35Å; H162-T339 PolarHBondContact CD2-OG1 2.73Å; H162-T339 WeakPolarHBondContact NE2-CB 3.39Å; H162-T339 PolarHBondContact NE2-OG1 3.03Å
163Y79.2Confident83.1Confident14 Ų1427.8 Ų27.86%0.05514%0.138CC..  trans-77.3110.5171.1-55.4-61000109.5L4 P93 C95 E96 P156 N165 Y166 V167L4-Y163 HydrophobicContact CD2-CE2 3.73Å; L4-Y163 VanDerWaalsContact CD2-OH 3.27Å; L4-Y163 WeakPolarHBondContact CD2-OH 3.14Å; P93-Y163 WeakPolarHBondContact O-CE2 3.36Å; P93-Y163 PolarHBondContact O-OH 2.9Å; C95-Y163 HydrophobicContact CB-CD1 4.09Å; C95-Y163 HydrophobicContact CB-CD2 4.01Å; C95-Y163 HydrophobicContact CB-CE1 4.4Å; C95-Y163 HydrophobicContact CB-CE2 4.31Å; C95-Y163 HydrophobicContact CB-CG 3.92Å; E96-Y163 HydrophobicContact CG-CD1 4.1Å; P156-Y163 HydrophobicContact CB-CE1 4.23Å; P156-Y163 HydrophobicContact CG-CE1 4.09Å; Y163-N165 PolarHBondContact O-N 3.3Å; Y163-Y166 HydrophobicContact CD2-CD2 4.29Å; Y163-Y166 HydrophobicContact CG-CD2 4.45Å; Y163-Y166 WeakPolarHBondContact O-CB 3.26Å; Y163-Y166 PolarHBondContact O-N 3.41Å; Y163-Y166 VanDerWaalsContact O-N 3.07Å; Y163-V167 WeakPolarHBondContact O-CG2 3.35Å; Y163-V167 PolarHBondContact O-N 3.43Å
164L82Confident83.7Confident11 Ų1127.5 Ų27.56%0.05814%0.137CC..Hα-helixtrans-69.4-36.1-166.8-166.753.3000112.3E96 H162 Y166 V167 I168 L332 F335 E336E96-L164 PolarHBondContact OE1-N 3.2Å; H162-L164 PolarHBondContact O-N 2.8Å; L164-Y166 VanDerWaalsContact C-N 3.25Å; L164-Y166 PolarHBondContact O-N 3.12Å; L164-V167 PolarHBondContact O-N 3.24Å; L164-I168 WeakPolarHBondContact O-CD1 3.33Å; L164-I168 VanDerWaalsContact O-CG1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.35Å; L164-I168 PolarHBondContact O-N 2.99Å; L164-L332 HydrophobicContact CD2-CB 3.72Å; L164-L332 HydrophobicContact CD2-CD2 3.69Å; L164-L332 HydrophobicContact CD2-CG 4.26Å; L164-L332 HydrophobicContact CG-CD2 3.98Å; L164-F335 HydrophobicContact CD1-CB 3.55Å; L164-E336 HydrophobicContact CD1-CG 3.83Å; L164-E336 HydrophobicContact CD2-CG 3.92Å
165N85.1Confident84.5Confident74 Ų7425 Ų2540%0.39613%0.132SC..Hα-helixtrans-60.2-36.8171.5-69.4-8000111.5E96 Y163 I168 E169E96-N165 WeakPolarHBondContact OE1-CB 3.29Å; E96-N165 PolarHBondContact OE1-N 2.86Å; Y163-N165 PolarHBondContact O-N 3.3Å; N165-I168 PolarHBondContact O-N 2.96Å; N165-E169 PolarHBondContact O-N 3.34Å; N165-E169 VanDerWaalsContact O-N 3.15Å
166Y91Very high85Confident13 Ų1324.7 Ų24.75%0.05113%0.13CC..Hα-helixtrans-76.7-36.1178.2-65.8-1.8000112.1C95 H99 Y163 L164 I168 E169 Y170 A204 L207 T208C95-Y166 HydrophobicContact CB-CD2 4.44Å; C95-Y166 HydrophobicContact CB-CE2 3.58Å; C95-Y166 VanDerWaalsContact SG-CE2 3.58Å; H99-Y166 PolarHBondContact CD2-OH 2.76Å; H99-Y166 PolarHBondContact NE2-OH 2.74Å; H99-Y166 VanDerWaalsContact NE2-OH 3.14Å; Y163-Y166 HydrophobicContact CD2-CD2 4.29Å; Y163-Y166 HydrophobicContact CG-CD2 4.45Å; Y163-Y166 WeakPolarHBondContact O-CB 3.26Å; Y163-Y166 PolarHBondContact O-N 3.41Å; Y163-Y166 VanDerWaalsContact O-N 3.07Å; L164-Y166 VanDerWaalsContact C-N 3.25Å; L164-Y166 PolarHBondContact O-N 3.12Å; Y166-I168 VanDerWaalsContact C-N 3.25Å; Y166-I168 PolarHBondContact O-N 3.41Å; Y166-E169 PolarHBondContact O-N 3.37Å; Y166-Y170 WeakPolarHBondContact O-CB 3.35Å; Y166-Y170 PolarHBondContact O-N 3.26Å; Y166-A204 HydrophobicContact CD1-CB 3.57Å; Y166-A204 HydrophobicContact CD2-CB 4.07Å; Y166-A204 HydrophobicContact CE1-CB 4.04Å; Y166-A204 HydrophobicContact CE2-CB 4.46Å; Y166-A204 HydrophobicContact CG-CB 3.59Å; Y166-L207 HydrophobicContact CD2-CB 4.19Å; Y166-L207 HydrophobicContact CD2-CD1 4.49Å; Y166-L207 HydrophobicContact CE2-CB 4.33Å; Y166-L207 HydrophobicContact CE2-CD1 3.81Å; Y166-T208 VanDerWaalsContact CB-OG1 3.3Å; Y166-T208 WeakPolarHBondContact CB-OG1 3.45Å; Y166-T208 PolarHBondContact O-OG1 3.04Å
167V91.1Very high85.7Confident1 Ų125.8 Ų25.81%0.00614%0.137CC..Hα-helixtrans-60.3-36.3171173.20000111.3H162 Y163 L164 Y171 W179 T208 F335 T339H162-V167 HydrophobicContact CB-CG2 3.96Å; Y163-V167 WeakPolarHBondContact O-CG2 3.35Å; Y163-V167 PolarHBondContact O-N 3.43Å; L164-V167 PolarHBondContact O-N 3.24Å; V167-Y171 WeakPolarHBondContact O-CB 3.34Å; V167-Y171 PolarHBondContact O-N 3.16Å; V167-W179 HydrophobicContact CG1-CH2 4.18Å; V167-T208 HydrophobicContact CG2-CG2 4.02Å; V167-F335 HydrophobicContact CG1-CB 4.5Å; V167-T339 HydrophobicContact CG1-CG2 4.22Å; V167-T339 HydrophobicContact CG2-CG2 3.93Å
168I91.3Very high86.5Confident29 Ų2925.1 Ų25.115%0.14913%0.133CC..Hα-helixtrans-66.1-47173.6-68.5162.6000111.1L164 N165 Y166 Y170 Y171 N172 L332 F335L164-I168 WeakPolarHBondContact O-CD1 3.33Å; L164-I168 VanDerWaalsContact O-CG1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.35Å; L164-I168 PolarHBondContact O-N 2.99Å; N165-I168 PolarHBondContact O-N 2.96Å; Y166-I168 VanDerWaalsContact C-N 3.25Å; Y166-I168 PolarHBondContact O-N 3.41Å; I168-Y170 VanDerWaalsContact C-N 3.35Å; I168-Y170 PolarHBondContact O-N 3.29Å; I168-Y171 WeakPolarHBondContact O-CB 3.29Å; I168-Y171 PolarHBondContact O-N 2.93Å; I168-N172 VanDerWaalsContact O-CG 3.3Å; I168-N172 PolarHBondContact O-N 3.13Å; I168-N172 PolarHBondContact O-ND2 2.82Å; I168-L332 HydrophobicContact CD1-CD2 3.82Å; I168-F335 HydrophobicContact CB-CE1 4.44Å; I168-F335 HydrophobicContact CD1-CD2 4.14Å; I168-F335 HydrophobicContact CD1-CE2 4.3Å; I168-F335 HydrophobicContact CD1-CG 4.46Å; I168-F335 HydrophobicContact CG1-CB 4.4Å; I168-F335 HydrophobicContact CG1-CD1 3.76Å; I168-F335 HydrophobicContact CG1-CD2 3.76Å; I168-F335 HydrophobicContact CG1-CE1 3.86Å; I168-F335 HydrophobicContact CG1-CE2 3.85Å; I168-F335 HydrophobicContact CG1-CG 3.72Å; I168-F335 HydrophobicContact CG1-CZ 3.9Å; I168-F335 HydrophobicContact CG2-CZ 4.45Å
169E91.2Very high87.6Confident21 Ų2124.3 Ų24.310%0.09813%0.128CC..Hα-helixtrans-64.6-38.8178-170.266175.500111.9N165 Y166 Y171 N172 A173 R198 K201 A204N165-E169 PolarHBondContact O-N 3.34Å; N165-E169 VanDerWaalsContact O-N 3.15Å; Y166-E169 PolarHBondContact O-N 3.37Å; E169-Y171 VanDerWaalsContact C-N 3.32Å; E169-Y171 PolarHBondContact O-N 2.81Å; E169-N172 PolarHBondContact O-N 3.01Å; E169-N172 VanDerWaalsContact O-N 3.12Å; E169-A173 WeakPolarHBondContact O-CB 3.1Å; E169-A173 PolarHBondContact O-N 3.29Å; E169-R198 IonicContact OE1-NH1 2.74Å; E169-K201 HydrophobicContact CG-CB 4.27Å; E169-K201 HydrophobicContact CG-CG 4.05Å; E169-K201 WeakPolarHBondContact OE1-CB 3.43Å; E169-A204 HydrophobicContact CB-CB 4.37Å; E169-A204 HydrophobicContact CG-CB 4.41Å
170Y94.8Very high88.7Confident0 Ų018.1 Ų18.10%010%0.099CC..Hα-helixtrans-63.4-35.1173.4-165.9-119.5000112.6Y166 I168 L174 W179 C205 T208 S209 L212Y166-Y170 WeakPolarHBondContact O-CB 3.35Å; Y166-Y170 PolarHBondContact O-N 3.26Å; I168-Y170 VanDerWaalsContact C-N 3.35Å; I168-Y170 PolarHBondContact O-N 3.29Å; Y170-L174 HydrophobicContact CD2-CD1 4.04Å; Y170-L174 HydrophobicContact CE2-CD1 3.53Å; Y170-L174 PolarHBondContact O-N 3.2Å; Y170-L174 VanDerWaalsContact O-N 3.09Å; Y170-W179 AromaticContact CD1-CD2 3.7Å; Y170-W179 HydrophobicContact CD1-CD2 3.7Å; Y170-W179 AromaticContact CD1-CE2 3.28Å; Y170-W179 HydrophobicContact CD1-CE3 4.18Å; Y170-W179 HydrophobicContact CD1-CG 4.22Å; Y170-W179 AromaticContact CD1-CH2 3.97Å; Y170-W179 HydrophobicContact CD1-CH2 3.97Å; Y170-W179 AromaticContact CD1-CZ2 3.44Å; Y170-W179 HydrophobicContact CD1-CZ2 3.44Å; Y170-W179 VanDerWaalsContact CD1-CZ2 3.44Å; Y170-W179 HydrophobicContact CD1-CZ3 4.31Å; Y170-W179 AromaticContact CD1-NE1 3.54Å; Y170-W179 HydrophobicContact CE1-CB 4.37Å; Y170-W179 AromaticContact CE1-CD1 3.7Å; Y170-W179 AromaticContact CE1-CD2 3.48Å; Y170-W179 HydrophobicContact CE1-CD2 3.48Å; Y170-W179 VanDerWaalsContact CE1-CD2 3.48Å; Y170-W179 AromaticContact CE1-CE2 3.55Å; Y170-W179 HydrophobicContact CE1-CE3 4.02Å; Y170-W179 AromaticContact CE1-CG 3.62Å; Y170-W179 HydrophobicContact CE1-CG 3.62Å; Y170-W179 HydrophobicContact CE1-CZ2 4.14Å; Y170-W179 AromaticContact CE1-NE1 3.64Å; Y170-W179 HydrophobicContact CG-CZ2 4.27Å; Y170-W179 PolarHBondContact O-NE1 2.72Å; Y170-C205 HydrophobicContact CD2-CB 3.75Å; Y170-C205 HydrophobicContact CE2-CB 4.24Å; Y170-T208 HydrophobicContact CD1-CG2 3.52Å; Y170-T208 HydrophobicContact CD2-CG2 4.37Å; Y170-T208 HydrophobicContact CE1-CG2 4.13Å; Y170-T208 HydrophobicContact CG-CG2 3.68Å; Y170-S209 WeakPolarHBondContact CE2-OG 3.12Å; Y170-S209 PolarHBondContact OH-OG 3.47Å; Y170-L212 HydrophobicContact CE1-CD1 4.06Å
171Y94.3Very high89.8Confident15 Ų1516 Ų166%0.0598%0.084CC..Hα-helixtrans-72.6-30.6172.1-176.9-93.2000112.9V167 I168 E169 L176 W179 Q307 L310 F335 L338 R855V167-Y171 WeakPolarHBondContact O-CB 3.34Å; V167-Y171 PolarHBondContact O-N 3.16Å; I168-Y171 WeakPolarHBondContact O-CB 3.29Å; I168-Y171 PolarHBondContact O-N 2.93Å; E169-Y171 VanDerWaalsContact C-N 3.32Å; E169-Y171 PolarHBondContact O-N 2.81Å; Y171-L176 HydrophobicContact CD2-CD2 4.18Å; Y171-L176 HydrophobicContact CE2-CD1 4.48Å; Y171-L176 HydrophobicContact CE2-CD2 4.26Å; Y171-W179 HydrophobicContact CD2-CZ2 4.21Å; Y171-Q307 PolarHBondContact OH-NE2 3.5Å; Y171-L310 HydrophobicContact CE1-CD2 4.17Å; Y171-L310 HydrophobicContact CE2-CD2 4.22Å; Y171-F335 AromaticContact CD1-CE1 3.84Å; Y171-F335 HydrophobicContact CD1-CE1 3.84Å; Y171-F335 HydrophobicContact CD1-CZ 4.39Å; Y171-F335 HydrophobicContact CE1-CE1 4.47Å; Y171-F335 AromaticContact CG-CE1 3.88Å; Y171-F335 HydrophobicContact CG-CE1 3.88Å; Y171-L338 HydrophobicContact CD2-CD1 3.72Å; Y171-L338 HydrophobicContact CE2-CD1 4Å; Y171-L338 HydrophobicContact CG-CD1 4.49Å; Y171-R855 PolarHBondContact O-NH1 3.42Å
172N92.9Very high91.1Very high29 Ų2915.6 Ų15.616%0.1558%0.081CC..Hα-helixtrans-74.7-37.1175.1-69.7-28.5000111.8I168 E169 F859I168-N172 VanDerWaalsContact O-CG 3.3Å; I168-N172 PolarHBondContact O-N 3.13Å; I168-N172 PolarHBondContact O-ND2 2.82Å; E169-N172 PolarHBondContact O-N 3.01Å; E169-N172 VanDerWaalsContact O-N 3.12Å; N172-F859 WeakPolarHBondContact OD1-CE2 3.18Å
173A93.9Very high92Very high2 Ų214.3 Ų14.32%0.0178%0.076CC..Hα-helixtrans-78.4-41-177.400000114.7E169 K201 L265E169-A173 WeakPolarHBondContact O-CB 3.1Å; E169-A173 PolarHBondContact O-N 3.29Å; A173-K201 HydrophobicContact CB-CD 3.86Å; A173-K201 HydrophobicContact CB-CG 4.08Å; A173-L265 HydrophobicContact CB-CD2 4.37Å
174L94.9Very high92.8Very high0 Ų013.7 Ų13.70%07%0.073CC..SBendtrans-123.7150.5-167.6-67.2-179.9000114Y170 L178 I182 V263 L265 R855Y170-L174 HydrophobicContact CD2-CD1 4.04Å; Y170-L174 HydrophobicContact CE2-CD1 3.53Å; Y170-L174 PolarHBondContact O-N 3.2Å; Y170-L174 VanDerWaalsContact O-N 3.09Å; L174-L178 HydrophobicContact CB-CB 4.47Å; L174-L178 HydrophobicContact CD2-CD1 3.83Å; L174-I182 HydrophobicContact CD1-CD1 3.58Å; L174-V263 HydrophobicContact CD1-CG1 4.36Å; L174-V263 HydrophobicContact CD2-CG1 4.28Å; L174-L265 HydrophobicContact CD1-CD2 3.91Å; L174-L265 HydrophobicContact CD2-CD2 3.97Å; L174-L265 HydrophobicContact CG-CD2 3.9Å; L174-R855 PolarHBondContact O-NH1 3.29Å
175D92.6Very high93.4Very high52 Ų5213.3 Ų13.328%0.2787%0.071SC..  trans-77.4150.2169.4-109.1-34.5000112.4S177 L178 W179 L851 R855D175-S177 PolarHBondContact O-N 2.88Å; D175-S177 VanDerWaalsContact O-N 3.09Å; D175-L178 WeakPolarHBondContact O-CB 3.4Å; D175-L178 PolarHBondContact O-N 3.28Å; D175-W179 VanDerWaalsContact O-CD1 3.28Å; D175-W179 PolarHBondContact O-N 3.08Å; D175-L851 HydrophobicContact CB-CD2 4.14Å; D175-L851 WeakPolarHBondContact OD2-CD2 3.04Å; D175-R855 IonicContact OD1-CZ 2.85Å; D175-R855 IonicContact OD1-NH2 3.52Å; D175-R855 PolarHBondContact OD1-NH2 3.42Å
176L93.1Very high94Very high1 Ų19.9 Ų9.91%0.0055%0.053CC..Hα-helixtrans-64.9-15.6-175.4-64.4172.5000113.8Y171 W179 I180 L303 Q307Y171-L176 HydrophobicContact CD2-CD2 4.18Å; Y171-L176 HydrophobicContact CE2-CD1 4.48Å; Y171-L176 HydrophobicContact CE2-CD2 4.26Å; L176-W179 HydrophobicContact CD2-CD2 3.93Å; L176-W179 HydrophobicContact CD2-CE3 4.23Å; L176-W179 HydrophobicContact CD2-CG 4.36Å; L176-W179 HydrophobicContact CD2-CZ2 4.22Å; L176-I180 WeakPolarHBondContact O-CG1 3.46Å; L176-L303 HydrophobicContact CB-CB 4.46Å; L176-L303 HydrophobicContact CD1-CB 4.26Å; L176-Q307 HydrophobicContact CD1-CB 3.81Å; L176-Q307 VanDerWaalsContact CD1-CD 3.45Å; L176-Q307 HydrophobicContact CD1-CG 4.16Å
177S93.1Very high94.1Very high34 Ų349.4 Ų9.424%0.2385%0.052CC..Hα-helixtrans-71-42.7167.344.10000111.8D175 W179 I180 H181D175-S177 PolarHBondContact O-N 2.88Å; D175-S177 VanDerWaalsContact O-N 3.09Å; S177-W179 VanDerWaalsContact C-N 3.32Å; S177-W179 PolarHBondContact O-N 3.42Å; S177-I180 WeakPolarHBondContact O-CB 3.32Å; S177-I180 PolarHBondContact O-N 2.94Å; S177-I180 VanDerWaalsContact O-N 3.08Å; S177-H181 PolarHBondContact O-CD2 2.79Å; S177-H181 PolarHBondContact O-N 3.01Å; S177-H181 VanDerWaalsContact O-N 3.13Å
178L93.9Very high94.3Very high4 Ų410.6 Ų10.62%0.0216%0.057CC..Hα-helixtrans-65.6-35.1178.5-68.6175.6000112L174 D175 I180 H181 I182 G268 I270 M285L174-L178 HydrophobicContact CB-CB 4.47Å; L174-L178 HydrophobicContact CD2-CD1 3.83Å; D175-L178 WeakPolarHBondContact O-CB 3.4Å; D175-L178 PolarHBondContact O-N 3.28Å; L178-I180 PolarHBondContact O-N 3.2Å; L178-H181 PolarHBondContact O-N 2.96Å; L178-I182 WeakPolarHBondContact O-CB 3.4Å; L178-I182 VanDerWaalsContact O-CG1 3.26Å; L178-I182 WeakPolarHBondContact O-CG1 3.37Å; L178-I182 PolarHBondContact O-N 3.23Å; L178-G268 VanDerWaalsContact CD1-O 3.24Å; L178-G268 WeakPolarHBondContact CD1-O 3.5Å; L178-I270 HydrophobicContact CD2-CB 3.94Å; L178-I270 HydrophobicContact CD2-CG2 3.43Å; L178-I270 VanDerWaalsContact CD2-CG2 3.43Å; L178-M285 HydrophobicContact CD2-CE 3.84Å; L178-M285 HydrophobicContact CD2-SD 3.71Å
179W95.9Very high94.5Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-53.2-43.2170.4-69.835.4000111.5V167 Y170 Y171 D175 L176 S177 F183 L212 L338 F342V167-W179 HydrophobicContact CG1-CH2 4.18Å; Y170-W179 AromaticContact CD1-CD2 3.7Å; Y170-W179 HydrophobicContact CD1-CD2 3.7Å; Y170-W179 AromaticContact CD1-CE2 3.28Å; Y170-W179 HydrophobicContact CD1-CE3 4.18Å; Y170-W179 HydrophobicContact CD1-CG 4.22Å; Y170-W179 AromaticContact CD1-CH2 3.97Å; Y170-W179 HydrophobicContact CD1-CH2 3.97Å; Y170-W179 AromaticContact CD1-CZ2 3.44Å; Y170-W179 HydrophobicContact CD1-CZ2 3.44Å; Y170-W179 VanDerWaalsContact CD1-CZ2 3.44Å; Y170-W179 HydrophobicContact CD1-CZ3 4.31Å; Y170-W179 AromaticContact CD1-NE1 3.54Å; Y170-W179 HydrophobicContact CE1-CB 4.37Å; Y170-W179 AromaticContact CE1-CD1 3.7Å; Y170-W179 AromaticContact CE1-CD2 3.48Å; Y170-W179 HydrophobicContact CE1-CD2 3.48Å; Y170-W179 VanDerWaalsContact CE1-CD2 3.48Å; Y170-W179 AromaticContact CE1-CE2 3.55Å; Y170-W179 HydrophobicContact CE1-CE3 4.02Å; Y170-W179 AromaticContact CE1-CG 3.62Å; Y170-W179 HydrophobicContact CE1-CG 3.62Å; Y170-W179 HydrophobicContact CE1-CZ2 4.14Å; Y170-W179 AromaticContact CE1-NE1 3.64Å; Y170-W179 HydrophobicContact CG-CZ2 4.27Å; Y170-W179 PolarHBondContact O-NE1 2.72Å; Y171-W179 HydrophobicContact CD2-CZ2 4.21Å; D175-W179 VanDerWaalsContact O-CD1 3.28Å; D175-W179 PolarHBondContact O-N 3.08Å; L176-W179 HydrophobicContact CD2-CD2 3.93Å; L176-W179 HydrophobicContact CD2-CE3 4.23Å; L176-W179 HydrophobicContact CD2-CG 4.36Å; L176-W179 HydrophobicContact CD2-CZ2 4.22Å; S177-W179 VanDerWaalsContact C-N 3.32Å; S177-W179 PolarHBondContact O-N 3.42Å; W179-F183 WeakPolarHBondContact O-CB 3.35Å; W179-F183 PolarHBondContact O-N 3.07Å; W179-L212 HydrophobicContact CE3-CD1 4.45Å; W179-L338 HydrophobicContact CH2-CB 4.12Å; W179-L338 HydrophobicContact CH2-CD1 4.32Å; W179-L338 HydrophobicContact CZ3-CB 4Å; W179-F342 HydrophobicContact CB-CZ 4.04Å; W179-F342 AromaticContact CE3-CE2 3.87Å; W179-F342 HydrophobicContact CE3-CE2 3.87Å; W179-F342 HydrophobicContact CE3-CZ 4.13Å; W179-F342 HydrophobicContact CZ3-CE2 4.45Å
180I95.8Very high94.6Very high0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-67.2-47.5178.8-60.5167.4000110.9L176 S177 L178 F183 V184 T291 F296 L299 H300 L303L176-I180 WeakPolarHBondContact O-CG1 3.46Å; S177-I180 WeakPolarHBondContact O-CB 3.32Å; S177-I180 PolarHBondContact O-N 2.94Å; S177-I180 VanDerWaalsContact O-N 3.08Å; L178-I180 PolarHBondContact O-N 3.2Å; I180-F183 PolarHBondContact O-N 3.37Å; I180-V184 WeakPolarHBondContact O-CB 3.28Å; I180-V184 WeakPolarHBondContact O-CG2 3.3Å; I180-V184 PolarHBondContact O-N 3.13Å; I180-T291 HydrophobicContact CG2-CG2 4.01Å; I180-F296 HydrophobicContact CB-CD2 4.31Å; I180-F296 HydrophobicContact CD1-CD2 4.01Å; I180-F296 HydrophobicContact CD1-CE2 4.09Å; I180-F296 HydrophobicContact CG2-CD2 3.88Å; I180-L299 HydrophobicContact CB-CD1 4.47Å; I180-L299 HydrophobicContact CD1-CB 3.75Å; I180-L299 HydrophobicContact CG1-CB 3.74Å; I180-L299 HydrophobicContact CG1-CD1 4.09Å; I180-L299 HydrophobicContact CG2-CD1 4.01Å; I180-H300 HydrophobicContact CD1-CB 3.86Å; I180-L303 HydrophobicContact CD1-CD1 4.2Å; I180-L303 HydrophobicContact CG1-CD1 3.96Å
181H94.5Very high94.6Very high1 Ų116.6 Ų16.61%0.0058%0.082CC..Hα-helixtrans-66.5-37.1-178.3-62.2-61.4000112.6S177 L178 S185 M285 L289 T291 F296S177-H181 PolarHBondContact O-CD2 2.79Å; S177-H181 PolarHBondContact O-N 3.01Å; S177-H181 VanDerWaalsContact O-N 3.13Å; L178-H181 PolarHBondContact O-N 2.96Å; H181-S185 VanDerWaalsContact O-CB 3.31Å; H181-S185 WeakPolarHBondContact O-CB 3.41Å; H181-S185 PolarHBondContact O-N 3.43Å; H181-S185 PolarHBondContact O-OG 2.97Å; H181-M285 PolarHBondContact CE1-O 3.38Å; H181-L289 HydrophobicContact CB-CD2 4.39Å; H181-T291 PolarHBondContact ND1-OG1 3.01Å; H181-F296 AromaticContact CE1-CD2 3.91Å; H181-F296 AromaticContact CE1-CE2 3.82Å; H181-F296 AromaticContact NE2-CE2 3.58Å
182I96.2Very high94.8Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-66.8-48.9174.5-69165000110.1L174 L178 V184 S185 L186 L192 F194 V263 I270L174-I182 HydrophobicContact CD1-CD1 3.58Å; L178-I182 WeakPolarHBondContact O-CB 3.4Å; L178-I182 VanDerWaalsContact O-CG1 3.26Å; L178-I182 WeakPolarHBondContact O-CG1 3.37Å; L178-I182 PolarHBondContact O-N 3.23Å; I182-V184 VanDerWaalsContact C-N 3.35Å; I182-V184 PolarHBondContact O-N 3.06Å; I182-S185 WeakPolarHBondContact O-CB 3.18Å; I182-S185 PolarHBondContact O-N 2.91Å; I182-S185 VanDerWaalsContact O-N 3.11Å; I182-L186 HydrophobicContact CG2-CD1 4.37Å; I182-L186 WeakPolarHBondContact O-CG 3.12Å; I182-L186 PolarHBondContact O-N 3.31Å; I182-L192 HydrophobicContact CG2-CD1 4.38Å; I182-F194 HydrophobicContact CD1-CE1 4.11Å; I182-F194 HydrophobicContact CD1-CZ 4.36Å; I182-F194 HydrophobicContact CG2-CZ 3.96Å; I182-V263 HydrophobicContact CD1-CG1 4.01Å; I182-V263 HydrophobicContact CD1-CG2 4.18Å; I182-V263 HydrophobicContact CG1-CG2 4.2Å; I182-I270 HydrophobicContact CG1-CD1 4.24Å
183F96.2Very high95Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-58.2-43.5176.8174.6-98.5000112.8W179 I180 L186 L187 L212 L213 L299 F342 L345 I346W179-F183 WeakPolarHBondContact O-CB 3.35Å; W179-F183 PolarHBondContact O-N 3.07Å; I180-F183 PolarHBondContact O-N 3.37Å; F183-L186 WeakPolarHBondContact O-CB 3.25Å; F183-L186 PolarHBondContact O-N 3.02Å; F183-L187 HydrophobicContact CD1-CD1 4.07Å; F183-L187 HydrophobicContact CE1-CD1 3.39Å; F183-L187 HydrophobicContact CE1-CG 4.06Å; F183-L187 HydrophobicContact CZ-CD1 3.74Å; F183-L187 HydrophobicContact CZ-CD2 4.35Å; F183-L187 HydrophobicContact CZ-CG 4.1Å; F183-L187 PolarHBondContact O-N 2.96Å; F183-L212 HydrophobicContact CD2-CB 4.03Å; F183-L212 WeakPolarHBondContact CE2-O 3.47Å; F183-L213 HydrophobicContact CD2-CD2 4.36Å; F183-L213 HydrophobicContact CE2-CD2 4.13Å; F183-L299 HydrophobicContact CD1-CD1 4.26Å; F183-F342 HydrophobicContact CB-CD1 3.93Å; F183-F342 HydrophobicContact CB-CE1 3.73Å; F183-F342 AromaticContact CD1-CD1 3.68Å; F183-F342 HydrophobicContact CD1-CD1 3.68Å; F183-F342 HydrophobicContact CD1-CE1 4.07Å; F183-F342 HydrophobicContact CD2-CB 4.4Å; F183-F342 AromaticContact CD2-CD1 3.57Å; F183-F342 HydrophobicContact CD2-CD1 3.57Å; F183-F342 HydrophobicContact CD2-CE1 4.25Å; F183-F342 HydrophobicContact CD2-CG 4.33Å; F183-F342 HydrophobicContact CE1-CD1 4.02Å; F183-F342 HydrophobicContact CE2-CB 4.04Å; F183-F342 AromaticContact CE2-CD1 3.93Å; F183-F342 HydrophobicContact CE2-CD1 3.93Å; F183-F342 HydrophobicContact CE2-CG 4.43Å; F183-F342 AromaticContact CG-CD1 3.43Å; F183-F342 HydrophobicContact CG-CD1 3.43Å; F183-F342 VanDerWaalsContact CG-CD1 3.43Å; F183-F342 AromaticContact CG-CE1 3.76Å; F183-F342 HydrophobicContact CG-CE1 3.76Å; F183-F342 HydrophobicContact CZ-CB 4.3Å; F183-F342 HydrophobicContact CZ-CD1 4.14Å; F183-L345 HydrophobicContact CE1-CD2 3.9Å; F183-I346 HydrophobicContact CE2-CD1 4.05Å; F183-I346 HydrophobicContact CZ-CD1 4Å; F183-I346 HydrophobicContact CZ-CG1 3.95Å
184V95.2Very high95.2Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-69.8-32175.8169.80000112.2I180 I182 L186 L187 L188 T291 I295 F383I180-V184 WeakPolarHBondContact O-CB 3.28Å; I180-V184 WeakPolarHBondContact O-CG2 3.3Å; I180-V184 PolarHBondContact O-N 3.13Å; I182-V184 VanDerWaalsContact C-N 3.35Å; I182-V184 PolarHBondContact O-N 3.06Å; V184-L186 VanDerWaalsContact C-N 3.32Å; V184-L187 PolarHBondContact O-N 3.33Å; V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 WeakPolarHBondContact O-CB 3.49Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.36Å; V184-L188 VanDerWaalsContact O-N 3.11Å; V184-T291 HydrophobicContact CG2-CG2 4.28Å; V184-I295 HydrophobicContact CG2-CG2 3.89Å; V184-F383 HydrophobicContact CG1-CE2 3.92Å
185S95.2Very high95.3Very high3 Ų314.5 Ų14.52%0.0217%0.072CC..Hα-helixtrans-64.1-37171.8-62.50000111.9H181 I182 L188 E189 R190H181-S185 VanDerWaalsContact O-CB 3.31Å; H181-S185 WeakPolarHBondContact O-CB 3.41Å; H181-S185 PolarHBondContact O-N 3.43Å; H181-S185 PolarHBondContact O-OG 2.97Å; I182-S185 WeakPolarHBondContact O-CB 3.18Å; I182-S185 PolarHBondContact O-N 2.91Å; I182-S185 VanDerWaalsContact O-N 3.11Å; S185-L188 CarbonylContact O-C 3.58Å; S185-L188 PolarHBondContact O-N 3.44Å; S185-E189 PolarHBondContact O-N 2.68Å; S185-R190 WeakPolarHBondContact O-CB 3.19Å; S185-R190 PolarHBondContact O-N 3.38Å
186L96Very high95.4Very high2 Ų212.1 Ų12.11%0.016%0.059CC..Hα-helixtrans-67.7-45.8173.6-67.7167000112.1I182 F183 V184 L188 E189 L192 S209 L213 W218 V241I182-L186 HydrophobicContact CG2-CD1 4.37Å; I182-L186 WeakPolarHBondContact O-CG 3.12Å; I182-L186 PolarHBondContact O-N 3.31Å; F183-L186 WeakPolarHBondContact O-CB 3.25Å; F183-L186 PolarHBondContact O-N 3.02Å; V184-L186 VanDerWaalsContact C-N 3.32Å; L186-L188 PolarHBondContact O-N 2.98Å; L186-E189 PolarHBondContact O-N 3Å; L186-L192 HydrophobicContact CD2-CD1 3.59Å; L186-L192 HydrophobicContact CG-CD1 3.76Å; L186-S209 VanDerWaalsContact CD1-O 3.23Å; L186-S209 WeakPolarHBondContact CD1-O 3.38Å; L186-L213 HydrophobicContact CB-CD1 4.21Å; L186-L213 HydrophobicContact CB-CD2 3.9Å; L186-L213 HydrophobicContact CB-CG 4.36Å; L186-L213 HydrophobicContact CD1-CD1 4.39Å; L186-L213 HydrophobicContact CD1-CG 4.3Å; L186-W218 HydrophobicContact CD2-CE3 4.09Å; L186-W218 HydrophobicContact CD2-CH2 4.46Å; L186-W218 HydrophobicContact CD2-CZ3 3.97Å; L186-V241 HydrophobicContact CD2-CG2 3.42Å; L186-V241 VanDerWaalsContact CD2-CG2 3.42Å
187L95.1Very high95.4Very high4 Ų420.5 Ų20.52%0.0219%0.091CC..Hα-helixtrans-61.7-22.2175.6-71.7-177.4000113.9F183 V184 L213 I216 F383 M387 I393F183-L187 HydrophobicContact CD1-CD1 4.07Å; F183-L187 HydrophobicContact CE1-CD1 3.39Å; F183-L187 HydrophobicContact CE1-CG 4.06Å; F183-L187 HydrophobicContact CZ-CD1 3.74Å; F183-L187 HydrophobicContact CZ-CD2 4.35Å; F183-L187 HydrophobicContact CZ-CG 4.1Å; F183-L187 PolarHBondContact O-N 2.96Å; V184-L187 PolarHBondContact O-N 3.33Å; L187-L213 HydrophobicContact CD2-CD2 4.01Å; L187-L213 HydrophobicContact CG-CD2 4.48Å; L187-I216 HydrophobicContact CD2-CD1 4.3Å; L187-F383 HydrophobicContact CD1-CZ 4.31Å; L187-M387 HydrophobicContact CB-CG 4.4Å; L187-M387 HydrophobicContact CD1-SD 4.36Å; L187-I393 HydrophobicContact CD2-CD1 4.05Å
188L94.5Very high95.3Very high25 Ų2521.6 Ų21.613%0.1319%0.09CC..THydrogen-bonded Turntrans-104.416.6176.2-64.5174.9000112.9V184 S185 L186 R190 F383 M387V184-L188 HydrophobicContact CG1-CD1 3.95Å; V184-L188 WeakPolarHBondContact O-CB 3.49Å; V184-L188 WeakPolarHBondContact O-CG 3.47Å; V184-L188 PolarHBondContact O-N 3.36Å; V184-L188 VanDerWaalsContact O-N 3.11Å; S185-L188 CarbonylContact O-C 3.58Å; S185-L188 PolarHBondContact O-N 3.44Å; L186-L188 PolarHBondContact O-N 2.98Å; L188-R190 VanDerWaalsContact C-N 3.32Å; L188-R190 HydrophobicContact CB-CG 4.21Å; L188-R190 WeakPolarHBondContact O-CD 3.02Å; L188-R190 PolarHBondContact O-N 2.95Å; L188-R190 PolarHBondContact O-NE 3.46Å; L188-F383 HydrophobicContact CD1-CD2 4Å; L188-F383 HydrophobicContact CD1-CE2 3.94Å; L188-F383 HydrophobicContact CD2-CD2 3.85Å; L188-F383 HydrophobicContact CD2-CE2 3.73Å; L188-F383 HydrophobicContact CG-CD2 4.18Å; L188-F383 HydrophobicContact CG-CE2 3.79Å; L188-M387 HydrophobicContact CD2-CB 4.42Å
189E94.7Very high95.3Very high29 Ų2921.4 Ų21.414%0.1369%0.089CC..THydrogen-bonded Turntrans44.749.3178.4-46.8-160.6136.100114.1S185 L186 W218 H220 P239 S390 Q391 T392S185-E189 PolarHBondContact O-N 2.68Å; L186-E189 PolarHBondContact O-N 3Å; E189-W218 HydrophobicContact CB-CH2 4.41Å; E189-H220 IonicContact OE1-CD2 2.73Å; E189-H220 IonicContact OE1-NE2 2.73Å; E189-H220 PolarHBondContact OE1-NE2 3.29Å; E189-H220 VanDerWaalsContact OE1-NE2 3.09Å; E189-H220 IonicContact OE2-CE1 3.42Å; E189-H220 IonicContact OE2-NE2 3.56Å; E189-H220 PolarHBondContact OE2-NE2 2.82Å; E189-P239 HydrophobicContact CB-CB 4.1Å; E189-P239 HydrophobicContact CB-CG 3.74Å; E189-P239 VanDerWaalsContact O-CB 3.31Å; E189-P239 WeakPolarHBondContact O-CB 3.19Å; E189-P239 WeakPolarHBondContact O-CG 3.06Å; E189-S390 WeakPolarHBondContact CG-OG 3.49Å; E189-S390 PolarHBondContact OE1-OG 3.38Å; E189-Q391 PolarHBondContact OE1-N 2.8Å; E189-Q391 PolarHBondContact OE2-N 2.89Å; E189-T392 WeakPolarHBondContact OE1-CB 3.47Å; E189-T392 PolarHBondContact OE1-N 3.17Å; E189-T392 PolarHBondContact OE1-OG1 2.9Å
190R94Very high95.2Very high125 Ų12522.4 Ų22.447%0.47210%0.095SC..  trans-91.3134.1177-56-54.6179.9146.1-2.7110.9S185 L188 L192S185-R190 WeakPolarHBondContact O-CB 3.19Å; S185-R190 PolarHBondContact O-N 3.38Å; L188-R190 VanDerWaalsContact C-N 3.32Å; L188-R190 HydrophobicContact CB-CG 4.21Å; L188-R190 WeakPolarHBondContact O-CD 3.02Å; L188-R190 PolarHBondContact O-N 2.95Å; L188-R190 PolarHBondContact O-NE 3.46Å; R190-L192 PolarHBondContact O-N 3.05Å
191S95.7Very high95.1Very high23 Ų2323.5 Ų23.516%0.16110%0.1CC..  trans-59.6125.5174.7-57.30000111.1F240 R261S191-F240 CarbonylContact C-O 2.96Å; S191-F240 VanDerWaalsContact CA-O 3.28Å; S191-F240 WeakPolarHBondContact CA-O 3.43Å; S191-F240 PolarHBondContact OG-N 3.16Å; S191-R261 PolarHBondContact O-N 2.96Å
192L96.9Very high95.3Very high0 Ų023.4 Ų23.40%010%0.099CC..EExtended strand (participates in β ladder)trans-120.2123.1-177.7-79.9155.1000109.2I182 L186 R190 F194 F240 V241 A242 R261 V263I182-L192 HydrophobicContact CG2-CD1 4.38Å; L186-L192 HydrophobicContact CD2-CD1 3.59Å; L186-L192 HydrophobicContact CG-CD1 3.76Å; R190-L192 PolarHBondContact O-N 3.05Å; L192-F194 HydrophobicContact CB-CE2 4Å; L192-F240 PolarHBondContact N-O 2.74Å; L192-V241 HydrophobicContact CB-CG2 4.49Å; L192-V241 HydrophobicContact CD1-CG2 4.47Å; L192-A242 PolarHBondContact O-N 3.49Å; L192-R261 WeakPolarHBondContact CA-O 3.29Å; L192-R261 HydrophobicContact CD2-CB 3.68Å; L192-R261 HydrophobicContact CG-CB 4.33Å; L192-V263 HydrophobicContact CD2-CG2 3.9Å
193L97.6Very high95.2Very high0 Ų023.4 Ų23.40%010%0.099CC..EExtended strand (participates in β ladder)trans-112.7120.7168.7-179.960000108.7L234 F240 A242 I244 A252 L256 T260 R261 L262 V263L193-L234 HydrophobicContact CD1-CD2 4.22Å; L193-L234 HydrophobicContact CD2-CD1 4.31Å; L193-F240 HydrophobicContact CB-CE2 4.35Å; L193-A242 CarbonylContact C-O 3.5Å; L193-A242 WeakPolarHBondContact CA-O 3.4Å; L193-A242 HydrophobicContact CD1-CB 3.73Å; L193-I244 HydrophobicContact CD1-CB 4.09Å; L193-I244 HydrophobicContact CD1-CG2 3.86Å; L193-I244 HydrophobicContact CD2-CG2 4.18Å; L193-I244 HydrophobicContact CG-CG2 4.13Å; L193-A252 HydrophobicContact CD2-CB 4.47Å; L193-L256 HydrophobicContact CD2-CD1 4.39Å; L193-L256 HydrophobicContact CD2-CD2 3.96Å; L193-T260 HydrophobicContact CB-CG2 4.38Å; L193-R261 PolarHBondContact N-O 2.88Å; L193-L262 HydrophobicContact CB-CD1 4.21Å; L193-L262 HydrophobicContact CD2-CD1 4.06Å; L193-L262 HydrophobicContact CG-CD1 4.01Å; L193-L262 CarbonylContact O-C 3.56Å; L193-L262 WeakPolarHBondContact O-CA 3.35Å; L193-V263 PolarHBondContact O-N 3.39Å
194F98.1Very high95.2Very high0 Ų023.5 Ų23.50%010%0.1CC..EExtended strand (participates in β ladder)trans-95.7144.1173.6-68.9-103.7000110.1I182 L192 L202 V206 S209 V241 A242 G243 I244 V263 L265I182-F194 HydrophobicContact CD1-CE1 4.11Å; I182-F194 HydrophobicContact CD1-CZ 4.36Å; I182-F194 HydrophobicContact CG2-CZ 3.96Å; L192-F194 HydrophobicContact CB-CE2 4Å; F194-L202 HydrophobicContact CB-CD1 3.8Å; F194-L202 WeakPolarHBondContact O-CD1 3.41Å; F194-V206 HydrophobicContact CB-CG2 3.76Å; F194-V206 HydrophobicContact CD1-CG2 4.43Å; F194-V206 HydrophobicContact CD2-CG2 3.67Å; F194-V206 HydrophobicContact CE2-CG2 4.35Å; F194-V206 HydrophobicContact CG-CG2 3.71Å; F194-S209 WeakPolarHBondContact CZ-OG 3.31Å; F194-V241 HydrophobicContact CE2-CG1 4.29Å; F194-A242 PolarHBondContact N-O 3Å; F194-G243 CarbonylContact O-C 3.53Å; F194-G243 WeakPolarHBondContact O-CA 3.5Å; F194-I244 PolarHBondContact O-N 2.95Å; F194-V263 CarbonylContact C-O 3.39Å; F194-V263 WeakPolarHBondContact CA-O 3.47Å; F194-V263 HydrophobicContact CD1-CB 3.67Å; F194-V263 HydrophobicContact CD1-CG1 3.68Å; F194-V263 HydrophobicContact CD1-CG2 4.22Å; F194-V263 HydrophobicContact CE1-CB 3.95Å; F194-V263 HydrophobicContact CE1-CG1 3.78Å; F194-V263 HydrophobicContact CE1-CG2 4.07Å; F194-V263 HydrophobicContact CG-CB 4.12Å; F194-V263 HydrophobicContact CZ-CG2 4.29Å; F194-L265 HydrophobicContact CB-CD1 4.23Å; F194-L265 HydrophobicContact CD1-CD1 4.14Å; F194-L265 HydrophobicContact CD1-CD2 4.01Å; F194-L265 HydrophobicContact CD1-CG 4.21Å
195C96.5Very high95.3Very high2 Ų223.5 Ų23.51%0.01410%0.1CC..EExtended strand (participates in β ladder)trans-135.3146.3173.464.80000113.9I244 L249 V263 L265C195-I244 VanDerWaalsContact CA-O 3.31Å; C195-I244 WeakPolarHBondContact CA-O 3.47Å; C195-I244 HydrophobicContact CB-CG2 3.88Å; C195-L249 HydrophobicContact CB-CD1 4.14Å; C195-L249 HydrophobicContact CB-CD2 4.34Å; C195-V263 PolarHBondContact N-O 3.17Å; C195-L265 WeakPolarHBondContact O-CB 3.36Å; C195-L265 PolarHBondContact O-N 2.79Å
196S95.2Very high95.4Very high1 Ų123.3 Ų23.31%0.00710%0.099CC..EExtended strand (participates in β ladder)trans-162.2160.1174.1-174.50000111.4R198 I244 H245 S246 D266S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact OG-N 3.2Å; S196-R198 VanDerWaalsContact OG-N 3.12Å; S196-I244 PolarHBondContact N-O 3.15Å; S196-H245 WeakPolarHBondContact O-CA 3.48Å; S196-S246 PolarHBondContact O-N 2.74Å; S196-D266 PolarHBondContact OG-OD1 3.44Å
197R92.6Very high95.3Very high178 Ų17823.5 Ų23.567%0.67210%0.099SC*.SBendtrans-76.9-4.7165.2-67.3165.5-179.5147.43.4114.2H245 S246 D266R197-H245 PolarHBondContact O-NE2 3.49Å; R197-H245 VanDerWaalsContact O-NE2 3.16Å; R197-S246 WeakPolarHBondContact CG-OG 3.12Å; R197-D266 WeakPolarHBondContact CB-OD2 3.16Å; R197-D266 WeakPolarHBondContact CG-OD2 3.4Å; R197-D266 PolarHBondContact N-OD2 3.49Å
198R92.3Very high95.2Very high56 Ų5623.4 Ų23.421%0.21110%0.099CC..  trans-124.5121.1179.4-65.4-166.767.8-136.8-4.5111.1V58 E59 E169 S196 T200 K201 L202V58-R198 PolarHBondContact O-NH2 3.08Å; E59-R198 IonicContact OE1-CZ 3.36Å; E59-R198 VanDerWaalsContact OE1-CZ 3.25Å; E59-R198 IonicContact OE1-NE 2.64Å; E59-R198 PolarHBondContact OE1-NE 3.03Å; E59-R198 IonicContact OE1-NH2 2.78Å; E59-R198 PolarHBondContact OE1-NH2 3.41Å; E59-R198 IonicContact OE2-NE 2.75Å; E59-R198 IonicContact OE2-NH2 3.56Å; E169-R198 IonicContact OE1-NH1 2.74Å; S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact OG-N 3.2Å; S196-R198 VanDerWaalsContact OG-N 3.12Å; R198-T200 VanDerWaalsContact C-N 3.26Å; R198-T200 PolarHBondContact O-N 3.25Å; R198-K201 HydrophobicContact CB-CB 4.08Å; R198-K201 PolarHBondContact O-N 3.01Å; R198-L202 VanDerWaalsContact O-CB 3.28Å; R198-L202 WeakPolarHBondContact O-CB 3.21Å; R198-L202 PolarHBondContact O-N 3.22Å
199L93.7Very high95.3Very high0 Ų022.3 Ų22.30%09%0.093CC..Hα-helixtrans-65-32.8178.9-61.8-176.9000111.8E59 F61 L202 T203 L225 H245E59-L199 PolarHBondContact OE2-N 3.28Å; F61-L199 HydrophobicContact CB-CB 3.7Å; F61-L199 HydrophobicContact CD1-CB 3.97Å; F61-L199 HydrophobicContact CD1-CD1 3.89Å; F61-L199 HydrophobicContact CD2-CB 4.45Å; F61-L199 HydrophobicContact CD2-CD1 4.12Å; F61-L199 HydrophobicContact CE1-CD1 3.85Å; F61-L199 HydrophobicContact CE2-CD1 4.08Å; F61-L199 HydrophobicContact CG-CB 3.81Å; F61-L199 HydrophobicContact CG-CD1 4.03Å; F61-L199 HydrophobicContact CZ-CD1 3.95Å; L199-L202 HydrophobicContact CD2-CD2 4.34Å; L199-T203 WeakPolarHBondContact O-CG2 3.46Å; L199-T203 PolarHBondContact O-N 3.19Å; L199-T203 PolarHBondContact O-OG1 3.33Å; L199-L225 HydrophobicContact CD1-CD2 4.24Å; L199-L225 HydrophobicContact CD2-CD1 3.65Å; L199-L225 HydrophobicContact CD2-CD2 3.86Å; L199-L225 HydrophobicContact CD2-CG 4.42Å; L199-H245 HydrophobicContact CD2-CB 4.17Å
200T93.5Very high95.3Very high22 Ų2221.2 Ų21.214%0.1359%0.089CC..Hα-helixtrans-59.4-56.4174.3-45.40000110.9E59 E60 R198 L202 A204E59-T200 VanDerWaalsContact CA-OG1 3.26Å; E59-T200 WeakPolarHBondContact CA-OG1 3.49Å; E59-T200 WeakPolarHBondContact OE2-CB 3.46Å; E59-T200 PolarHBondContact OE2-N 3.31Å; E59-T200 PolarHBondContact OE2-OG1 3.42Å; E60-T200 HydrophobicContact CB-CG2 4.34Å; E60-T200 PolarHBondContact N-OG1 2.66Å; E60-T200 VanDerWaalsContact O-CA 3.23Å; E60-T200 WeakPolarHBondContact O-CA 3.42Å; E60-T200 WeakPolarHBondContact O-CG2 3.27Å; R198-T200 VanDerWaalsContact C-N 3.26Å; R198-T200 PolarHBondContact O-N 3.25Å; T200-L202 VanDerWaalsContact C-N 3.35Å; T200-L202 PolarHBondContact O-N 2.78Å; T200-A204 WeakPolarHBondContact O-CB 3.4Å; T200-A204 PolarHBondContact O-N 3.03Å
201K94.6Very high95.2Very high22 Ų2215.6 Ų15.610%0.0967%0.069CC..Hα-helixtrans-60.1-47.9178.9-168.9-160.3-65.9179.60110.6E169 A173 R198 C205 L265 D266E169-K201 HydrophobicContact CG-CB 4.27Å; E169-K201 HydrophobicContact CG-CG 4.05Å; E169-K201 WeakPolarHBondContact OE1-CB 3.43Å; A173-K201 HydrophobicContact CB-CD 3.86Å; A173-K201 HydrophobicContact CB-CG 4.08Å; R198-K201 HydrophobicContact CB-CB 4.08Å; R198-K201 PolarHBondContact O-N 3.01Å; K201-C205 WeakPolarHBondContact O-CB 3.33Å; K201-C205 PolarHBondContact O-N 3.22Å; K201-C205 PolarHBondContact O-SG 3.09Å; K201-L265 HydrophobicContact CD-CB 3.66Å; K201-L265 WeakPolarHBondContact CD-O 3.34Å; K201-L265 HydrophobicContact CG-CB 4.46Å; K201-L265 PolarHBondContact NZ-O 3.14Å; K201-D266 IonicContact NZ-OD1 2.7Å; K201-D266 PolarHBondContact NZ-OD1 3.01Å
202L96.7Very high95.1Very high0 Ų014.6 Ų14.60%06%0.062CC..Hα-helixtrans-54.7-61.4-179-179.462.7000112.3F194 R198 L199 T200 C205 V206 L225 I244 L265F194-L202 HydrophobicContact CB-CD1 3.8Å; F194-L202 WeakPolarHBondContact O-CD1 3.41Å; R198-L202 VanDerWaalsContact O-CB 3.28Å; R198-L202 WeakPolarHBondContact O-CB 3.21Å; R198-L202 PolarHBondContact O-N 3.22Å; L199-L202 HydrophobicContact CD2-CD2 4.34Å; T200-L202 VanDerWaalsContact C-N 3.35Å; T200-L202 PolarHBondContact O-N 2.78Å; L202-C205 PolarHBondContact O-N 2.82Å; L202-V206 WeakPolarHBondContact O-CG2 3.39Å; L202-V206 PolarHBondContact O-N 2.99Å; L202-L225 HydrophobicContact CD2-CD1 3.91Å; L202-I244 VanDerWaalsContact CD2-C 3.46Å; L202-I244 WeakPolarHBondContact CD2-O 3.44Å; L202-L265 HydrophobicContact CD1-CD1 4.13Å
203T96Very high94.9Very high0 Ų014.7 Ų14.70%06%0.062CC..Hα-helixtrans-69.1-37.7-174.457.50000111.9F61 V62 L199 C205 V206 L207 P224 L225F61-T203 WeakPolarHBondContact CA-OG1 3.47Å; F61-T203 HydrophobicContact CB-CG2 4.04Å; V62-T203 PolarHBondContact N-OG1 3.44Å; V62-T203 WeakPolarHBondContact O-CG2 3.36Å; L199-T203 WeakPolarHBondContact O-CG2 3.46Å; L199-T203 PolarHBondContact O-N 3.19Å; L199-T203 PolarHBondContact O-OG1 3.33Å; T203-C205 PolarHBondContact O-N 2.95Å; T203-V206 PolarHBondContact O-N 2.85Å; T203-L207 WeakPolarHBondContact O-CB 3.34Å; T203-L207 WeakPolarHBondContact O-CG 3.41Å; T203-L207 PolarHBondContact O-N 2.98Å; T203-P224 HydrophobicContact CG2-CB 4.09Å; T203-L225 HydrophobicContact CG2-CB 4.26Å
204A94.9Very high94.6Very high1 Ų116.2 Ų16.21%0.0087%0.068CC..Hα-helixtrans-60.9-41.5173.100000112.6Y166 E169 T200 T208Y166-A204 HydrophobicContact CD1-CB 3.57Å; Y166-A204 HydrophobicContact CD2-CB 4.07Å; Y166-A204 HydrophobicContact CE1-CB 4.04Å; Y166-A204 HydrophobicContact CE2-CB 4.46Å; Y166-A204 HydrophobicContact CG-CB 3.59Å; E169-A204 HydrophobicContact CB-CB 4.37Å; E169-A204 HydrophobicContact CG-CB 4.41Å; T200-A204 WeakPolarHBondContact O-CB 3.4Å; T200-A204 PolarHBondContact O-N 3.03Å; A204-T208 VanDerWaalsContact O-CB 3.25Å; A204-T208 WeakPolarHBondContact O-CB 3.23Å; A204-T208 PolarHBondContact O-N 3.01Å; A204-T208 PolarHBondContact O-OG1 2.99Å
205C96.9Very high94.2Very high0 Ų016.9 Ų16.90%07%0.072CC..Hα-helixtrans-71.1-38.4178.8-69.80000112.6Y170 K201 L202 T203 S209 L265Y170-C205 HydrophobicContact CD2-CB 3.75Å; Y170-C205 HydrophobicContact CE2-CB 4.24Å; K201-C205 WeakPolarHBondContact O-CB 3.33Å; K201-C205 PolarHBondContact O-N 3.22Å; K201-C205 PolarHBondContact O-SG 3.09Å; L202-C205 PolarHBondContact O-N 2.82Å; T203-C205 PolarHBondContact O-N 2.95Å; C205-S209 WeakPolarHBondContact O-CB 3.48Å; C205-S209 PolarHBondContact O-N 3.02Å; C205-S209 PolarHBondContact O-OG 3.25Å; C205-L265 HydrophobicContact CB-CD1 3.66Å; C205-L265 HydrophobicContact CB-CD2 3.83Å; C205-L265 HydrophobicContact CB-CG 4.42Å
206V97.1Very high94Very high0 Ų017 Ų170%07%0.073CC..Hα-helixtrans-63.9-51174.4171.80000110.9F194 L202 T203 T208 S209 V210 F222 P224 V241F194-V206 HydrophobicContact CB-CG2 3.76Å; F194-V206 HydrophobicContact CD1-CG2 4.43Å; F194-V206 HydrophobicContact CD2-CG2 3.67Å; F194-V206 HydrophobicContact CE2-CG2 4.35Å; F194-V206 HydrophobicContact CG-CG2 3.71Å; L202-V206 WeakPolarHBondContact O-CG2 3.39Å; L202-V206 PolarHBondContact O-N 2.99Å; T203-V206 PolarHBondContact O-N 2.85Å; V206-T208 PolarHBondContact O-N 3.07Å; V206-S209 PolarHBondContact O-N 3.02Å; V206-V210 PolarHBondContact O-N 3.28Å; V206-V210 VanDerWaalsContact O-N 3.17Å; V206-F222 HydrophobicContact CG1-CE2 3.67Å; V206-F222 HydrophobicContact CG1-CZ 4.28Å; V206-P224 HydrophobicContact CB-CB 4.48Å; V206-P224 HydrophobicContact CG1-CB 4.15Å; V206-P224 HydrophobicContact CG1-CG 4.26Å; V206-V241 HydrophobicContact CG1-CG1 3.85Å
207L94.5Very high93.7Very high5 Ų519.2 Ų19.23%0.0268%0.083CC..Hα-helixtrans-63.6-39.9179.2-76.5160.6000112.1V62 F74 Y166 T203 S211 F222V62-L207 HydrophobicContact CB-CD1 3.9Å; V62-L207 HydrophobicContact CG1-CD1 4.37Å; V62-L207 HydrophobicContact CG2-CD1 3.88Å; F74-L207 HydrophobicContact CE1-CD2 4.49Å; Y166-L207 HydrophobicContact CD2-CB 4.19Å; Y166-L207 HydrophobicContact CD2-CD1 4.49Å; Y166-L207 HydrophobicContact CE2-CB 4.33Å; Y166-L207 HydrophobicContact CE2-CD1 3.81Å; T203-L207 WeakPolarHBondContact O-CB 3.34Å; T203-L207 WeakPolarHBondContact O-CG 3.41Å; T203-L207 PolarHBondContact O-N 2.98Å; L207-S211 WeakPolarHBondContact O-CB 3.38Å; L207-S211 PolarHBondContact O-N 2.83Å; L207-F222 HydrophobicContact CD2-CE1 4.23Å; L207-F222 HydrophobicContact CD2-CZ 3.8Å; L207-F222 HydrophobicContact CG-CZ 4.46Å
208T94.2Very high93.7Very high3 Ų311.3 Ų11.32%0.0185%0.053CC..Hα-helixtrans-61.7-47.6174.5-58.80000111.1Y166 V167 Y170 A204 V206 V210 S211 L212Y166-T208 VanDerWaalsContact CB-OG1 3.3Å; Y166-T208 WeakPolarHBondContact CB-OG1 3.45Å; Y166-T208 PolarHBondContact O-OG1 3.04Å; V167-T208 HydrophobicContact CG2-CG2 4.02Å; Y170-T208 HydrophobicContact CD1-CG2 3.52Å; Y170-T208 HydrophobicContact CD2-CG2 4.37Å; Y170-T208 HydrophobicContact CE1-CG2 4.13Å; Y170-T208 HydrophobicContact CG-CG2 3.68Å; A204-T208 VanDerWaalsContact O-CB 3.25Å; A204-T208 WeakPolarHBondContact O-CB 3.23Å; A204-T208 PolarHBondContact O-N 3.01Å; A204-T208 PolarHBondContact O-OG1 2.99Å; V206-T208 PolarHBondContact O-N 3.07Å; T208-V210 VanDerWaalsContact C-N 3.33Å; T208-V210 PolarHBondContact O-N 2.84Å; T208-S211 WeakPolarHBondContact O-CB 3.46Å; T208-S211 PolarHBondContact O-N 2.99Å; T208-S211 PolarHBondContact O-OG 2.83Å; T208-L212 PolarHBondContact O-N 2.93Å; T208-L212 VanDerWaalsContact O-N 3.16Å
209S95.6Very high93.7Very high1 Ų110.6 Ų10.61%0.0076%0.055CC..Hα-helixtrans-56.8-44.6-178.7-60.50000112.1Y170 L186 F194 C205 V206 L212Y170-S209 WeakPolarHBondContact CE2-OG 3.12Å; Y170-S209 PolarHBondContact OH-OG 3.47Å; L186-S209 VanDerWaalsContact CD1-O 3.23Å; L186-S209 WeakPolarHBondContact CD1-O 3.38Å; F194-S209 WeakPolarHBondContact CZ-OG 3.31Å; C205-S209 WeakPolarHBondContact O-CB 3.48Å; C205-S209 PolarHBondContact O-N 3.02Å; C205-S209 PolarHBondContact O-OG 3.25Å; V206-S209 PolarHBondContact O-N 3.02Å; S209-L212 PolarHBondContact O-N 3.47Å
210V94.4Very high93.6Very high7 Ų712.6 Ų12.64%0.0427%0.065CC..Hα-helixtrans-69.7-37.4175.6178.10000111.6F2 V206 T208 L212 L213 W218 F222 V241F2-V210 HydrophobicContact CE1-CG1 4.06Å; F2-V210 HydrophobicContact CZ-CB 4.36Å; F2-V210 HydrophobicContact CZ-CG1 3.69Å; V206-V210 PolarHBondContact O-N 3.28Å; V206-V210 VanDerWaalsContact O-N 3.17Å; T208-V210 VanDerWaalsContact C-N 3.33Å; T208-V210 PolarHBondContact O-N 2.84Å; V210-L212 PolarHBondContact O-N 2.99Å; V210-L213 WeakPolarHBondContact O-CB 3.5Å; V210-L213 PolarHBondContact O-N 3.39Å; V210-L213 VanDerWaalsContact O-N 3.08Å; V210-W218 HydrophobicContact CG1-CB 3.94Å; V210-F222 HydrophobicContact CB-CE2 4.42Å; V210-F222 HydrophobicContact CG2-CD2 4.18Å; V210-F222 HydrophobicContact CG2-CE2 3.65Å; V210-F222 HydrophobicContact CG2-CZ 4.44Å; V210-V241 HydrophobicContact CG2-CB 4.45Å; V210-V241 HydrophobicContact CG2-CG1 3.93Å; V210-V241 HydrophobicContact CG2-CG2 4.5Å
211S91.7Very high93.5Very high7 Ų712.8 Ų12.85%0.0497%0.067CC..Hα-helixtrans-61.1-26.8178.382.20000113.7H162 L207 T208 L213 Y214H162-S211 PolarHBondContact CE1-O 2.9Å; H162-S211 PolarHBondContact ND1-OG 3.48Å; L207-S211 WeakPolarHBondContact O-CB 3.38Å; L207-S211 PolarHBondContact O-N 2.83Å; T208-S211 WeakPolarHBondContact O-CB 3.46Å; T208-S211 PolarHBondContact O-N 2.99Å; T208-S211 PolarHBondContact O-OG 2.83Å; S211-L213 PolarHBondContact O-N 2.96Å; S211-Y214 WeakPolarHBondContact O-CB 3.47Å; S211-Y214 PolarHBondContact O-N 2.98Å; S211-Y214 VanDerWaalsContact O-N 3.15Å
212L93.5Very high93.5Very high2 Ų212.1 Ų12.11%0.016%0.064CC..THydrogen-bonded Turntrans-64.6-16.5176.7-65.8-179.4000113.4Y170 W179 F183 T208 S209 V210 Y214 T339 F342Y170-L212 HydrophobicContact CE1-CD1 4.06Å; W179-L212 HydrophobicContact CE3-CD1 4.45Å; F183-L212 HydrophobicContact CD2-CB 4.03Å; F183-L212 WeakPolarHBondContact CE2-O 3.47Å; T208-L212 PolarHBondContact O-N 2.93Å; T208-L212 VanDerWaalsContact O-N 3.16Å; S209-L212 PolarHBondContact O-N 3.47Å; V210-L212 PolarHBondContact O-N 2.99Å; L212-Y214 VanDerWaalsContact C-N 3.28Å; L212-Y214 PolarHBondContact O-N 3.33Å; L212-T339 HydrophobicContact CD2-CG2 3.86Å; L212-F342 HydrophobicContact CB-CG 4.46Å; L212-F342 HydrophobicContact CD1-CD2 4.35Å; L212-F342 HydrophobicContact CD1-CE1 4.37Å; L212-F342 HydrophobicContact CD1-CE2 4.17Å; L212-F342 HydrophobicContact CD1-CZ 4.18Å; L212-F342 HydrophobicContact CD2-CD2 3.86Å; L212-F342 HydrophobicContact CD2-CE2 4.24Å; L212-F342 HydrophobicContact CD2-CG 4.32Å
213L93.8Very high93.4Very high2 Ų215.2 Ų15.21%0.018%0.076CC..THydrogen-bonded Turntrans-72.8-16.2174.3-66.4175.4000113.5F183 L186 L187 V210 S211 I216 W218 I346F183-L213 HydrophobicContact CD2-CD2 4.36Å; F183-L213 HydrophobicContact CE2-CD2 4.13Å; L186-L213 HydrophobicContact CB-CD1 4.21Å; L186-L213 HydrophobicContact CB-CD2 3.9Å; L186-L213 HydrophobicContact CB-CG 4.36Å; L186-L213 HydrophobicContact CD1-CD1 4.39Å; L186-L213 HydrophobicContact CD1-CG 4.3Å; L187-L213 HydrophobicContact CD2-CD2 4.01Å; L187-L213 HydrophobicContact CG-CD2 4.48Å; V210-L213 WeakPolarHBondContact O-CB 3.5Å; V210-L213 PolarHBondContact O-N 3.39Å; V210-L213 VanDerWaalsContact O-N 3.08Å; S211-L213 PolarHBondContact O-N 2.96Å; L213-I216 CarbonylContact C-O 3.55Å; L213-I216 VanDerWaalsContact C-O 3.27Å; L213-I216 HydrophobicContact CB-CB 4.33Å; L213-I216 VanDerWaalsContact CB-O 3.29Å; L213-I216 WeakPolarHBondContact CB-O 3.26Å; L213-I216 WeakPolarHBondContact O-CA 3.49Å; L213-I216 WeakPolarHBondContact O-CB 3.45Å; L213-I216 PolarHBondContact O-N 3.3Å; L213-W218 HydrophobicContact CD1-CB 4.37Å; L213-W218 HydrophobicContact CD1-CE3 4.3Å; L213-I346 VanDerWaalsContact O-CD1 3.26Å; L213-I346 WeakPolarHBondContact O-CD1 3.46Å
214Y90.3Very high93.3Very high31 Ų3115.2 Ų15.212%0.1228%0.076CC..THydrogen-bonded Turntrans-49.7129.3-175.8176.8-91.7000112.1P161 S211 L212 F343P161-Y214 HydrophobicContact CB-CD2 4.24Å; P161-Y214 HydrophobicContact CB-CE2 4.38Å; P161-Y214 HydrophobicContact CB-CG 4.33Å; P161-Y214 HydrophobicContact CG-CD1 3.89Å; P161-Y214 HydrophobicContact CG-CD2 4.45Å; P161-Y214 HydrophobicContact CG-CE1 4.12Å; P161-Y214 HydrophobicContact CG-CG 4.07Å; S211-Y214 WeakPolarHBondContact O-CB 3.47Å; S211-Y214 PolarHBondContact O-N 2.98Å; S211-Y214 VanDerWaalsContact O-N 3.15Å; L212-Y214 VanDerWaalsContact C-N 3.28Å; L212-Y214 PolarHBondContact O-N 3.33Å; Y214-F343 AromaticContact CD1-CD2 4Å; Y214-F343 HydrophobicContact CD1-CD2 4Å; Y214-F343 HydrophobicContact CD1-CE2 4.34Å; Y214-F343 HydrophobicContact CE1-CD2 4.19Å; Y214-F343 HydrophobicContact CE1-CE2 4.09Å
215P89.9Confident93.4Very high14 Ų1415.4 Ų15.49%0.0918%0.077CC..THydrogen-bonded Turncis-85.8-011.738.4-43.6000116.1F396 F412P215-F396 HydrophobicContact CB-CE2 3.96Å; P215-F396 HydrophobicContact CG-CE2 3.52Å; P215-F396 HydrophobicContact CG-CZ 3.73Å; P215-F412 HydrophobicContact CB-CB 4.41Å; P215-F412 HydrophobicContact CG-CB 3.83Å; P215-F412 HydrophobicContact CG-CD2 3.63Å; P215-F412 HydrophobicContact CG-CE2 4.47Å; P215-F412 HydrophobicContact CG-CG 3.92Å
216I92Very high93.3Very high5 Ų515.6 Ų15.63%0.0268%0.078CC..SBendtrans-73.8139.2176.3-52.7153.1000108.4L187 L213 I346 L350 T392 I393 F396L187-I216 HydrophobicContact CD2-CD1 4.3Å; L213-I216 CarbonylContact C-O 3.55Å; L213-I216 VanDerWaalsContact C-O 3.27Å; L213-I216 HydrophobicContact CB-CB 4.33Å; L213-I216 VanDerWaalsContact CB-O 3.29Å; L213-I216 WeakPolarHBondContact CB-O 3.26Å; L213-I216 WeakPolarHBondContact O-CA 3.49Å; L213-I216 WeakPolarHBondContact O-CB 3.45Å; L213-I216 PolarHBondContact O-N 3.3Å; I216-I346 HydrophobicContact CD1-CB 4.42Å; I216-I346 HydrophobicContact CD1-CD1 4.08Å; I216-I346 HydrophobicContact CD1-CG1 3.95Å; I216-I346 HydrophobicContact CD1-CG2 3.57Å; I216-I346 HydrophobicContact CG1-CG2 4.08Å; I216-L350 HydrophobicContact CD1-CD1 3.97Å; I216-L350 HydrophobicContact CG1-CD1 4.32Å; I216-T392 HydrophobicContact CG2-CG2 3.24Å; I216-I393 HydrophobicContact CD1-CD1 3.6Å; I216-I393 HydrophobicContact CG1-CD1 4.33Å; I216-I393 HydrophobicContact CG2-CD1 4.3Å; I216-F396 HydrophobicContact CB-CD2 4.42Å; I216-F396 HydrophobicContact CG1-CD1 4.34Å; I216-F396 HydrophobicContact CG1-CD2 3.95Å; I216-F396 HydrophobicContact CG1-CE2 4.21Å; I216-F396 HydrophobicContact CG1-CG 4.01Å; I216-F396 HydrophobicContact CG2-CB 4.42Å
217Q89.9Confident93Very high47 Ų4715.8 Ų15.822%0.228%0.079CC..  trans-109.4146.1178.2-62177.223.100109.8M1 T392M1-Q217 VanDerWaalsContact CE-C 3.44Å; M1-Q217 HydrophobicContact CE-CB 3.41Å; M1-Q217 VanDerWaalsContact CE-CB 3.41Å; M1-Q217 WeakPolarHBondContact CE-O 3.08Å; M1-Q217 HydrophobicContact CG-CB 4.02Å; M1-Q217 VanDerWaalsContact CG-OE1 3.29Å; M1-Q217 HydrophobicContact SD-CB 3.99Å; Q217-T392 WeakPolarHBondContact O-CG2 3.18Å
218W93Very high92.8Very high12 Ų1218.6 Ų18.65%0.0459%0.094CC..  trans-75.7129.9176.9-178.8-103.3000112M1 L186 E189 V210 L213 H220 S221 P239 V241M1-W218 VanDerWaalsContact CE-C 3.49Å; M1-W218 WeakPolarHBondContact CE-O 3.31Å; L186-W218 HydrophobicContact CD2-CE3 4.09Å; L186-W218 HydrophobicContact CD2-CH2 4.46Å; L186-W218 HydrophobicContact CD2-CZ3 3.97Å; E189-W218 HydrophobicContact CB-CH2 4.41Å; V210-W218 HydrophobicContact CG1-CB 3.94Å; L213-W218 HydrophobicContact CD1-CB 4.37Å; L213-W218 HydrophobicContact CD1-CE3 4.3Å; W218-H220 VanDerWaalsContact CD1-O 3.23Å; W218-H220 HydrophobicContact CZ2-CB 3.88Å; W218-H220 AromaticContact CZ2-CD2 3.89Å; W218-H220 PolarHBondContact NE1-O 3.48Å; W218-S221 PolarHBondContact NE1-O 3.03Å; W218-S221 VanDerWaalsContact NE1-O 3.14Å; W218-P239 HydrophobicContact CH2-CB 3.82Å; W218-P239 HydrophobicContact CZ2-CB 3.87Å; W218-V241 HydrophobicContact CD2-CG2 4.17Å; W218-V241 HydrophobicContact CH2-CG2 4.17Å; W218-V241 HydrophobicContact CZ2-CG2 3.72Å
219V90.5Very high92.6Very high42 Ų4225.9 Ų25.926%0.25513%0.125SC..  trans-93.7-22.4-174.5-52.40000114.9M1 Q391 T392 L395M1-V219 HydrophobicContact CE-CB 4Å; M1-V219 HydrophobicContact CE-CG1 3.27Å; V219-Q391 HydrophobicContact CG2-CB 4.11Å; V219-Q391 HydrophobicContact CG2-CG 4.02Å; V219-T392 WeakPolarHBondContact CG2-OG1 3.36Å; V219-L395 HydrophobicContact CB-CD1 4.45Å; V219-L395 HydrophobicContact CG1-CD1 3.7Å
220H91.9Very high92.4Very high42 Ų4229 Ų2919%0.19414%0.144CC..SBendtrans-98-174.8-168.1-52.3-79.2000112.4E189 W218 F222 P239E189-H220 IonicContact OE1-CD2 2.73Å; E189-H220 IonicContact OE1-NE2 2.73Å; E189-H220 PolarHBondContact OE1-NE2 3.29Å; E189-H220 VanDerWaalsContact OE1-NE2 3.09Å; E189-H220 IonicContact OE2-CE1 3.42Å; E189-H220 IonicContact OE2-NE2 3.56Å; E189-H220 PolarHBondContact OE2-NE2 2.82Å; W218-H220 VanDerWaalsContact CD1-O 3.23Å; W218-H220 HydrophobicContact CZ2-CB 3.88Å; W218-H220 AromaticContact CZ2-CD2 3.89Å; W218-H220 PolarHBondContact NE1-O 3.48Å; H220-F222 PolarHBondContact O-N 3.34Å; H220-P239 HydrophobicContact CB-CB 4.27Å; H220-P239 WeakPolarHBondContact CB-O 3.19Å
221S92.7Very high92.3Very high26 Ų2628.9 Ų28.918%0.18214%0.143CC..EExtended strand (participates in β ladder)trans-43.4129.9174.9-63.60000112.8W218 F240 V241W218-S221 PolarHBondContact NE1-O 3.03Å; W218-S221 VanDerWaalsContact NE1-O 3.14Å; S221-F240 WeakPolarHBondContact O-CA 3.47Å; S221-V241 PolarHBondContact O-N 3.24Å
222F94.3Very high92.4Very high7 Ų730.3 Ų30.33%0.03116%0.159CC..EExtended strand (participates in β ladder)trans-142.2112.3-175.4179.7-119.3000111.1F2 V64 V206 L207 V210 H220 P224 V241F2-F222 HydrophobicContact CE1-CD1 4.14Å; F2-F222 AromaticContact CE1-CE1 3.75Å; F2-F222 HydrophobicContact CE1-CE1 3.75Å; F2-F222 HydrophobicContact CE1-CZ 4.16Å; F2-F222 HydrophobicContact CZ-CE1 4.2Å; F2-F222 HydrophobicContact CZ-CZ 4.24Å; V64-F222 HydrophobicContact CG1-CD1 4.34Å; V64-F222 HydrophobicContact CG2-CE1 4.17Å; V206-F222 HydrophobicContact CG1-CE2 3.67Å; V206-F222 HydrophobicContact CG1-CZ 4.28Å; L207-F222 HydrophobicContact CD2-CE1 4.23Å; L207-F222 HydrophobicContact CD2-CZ 3.8Å; L207-F222 HydrophobicContact CG-CZ 4.46Å; V210-F222 HydrophobicContact CB-CE2 4.42Å; V210-F222 HydrophobicContact CG2-CD2 4.18Å; V210-F222 HydrophobicContact CG2-CE2 3.65Å; V210-F222 HydrophobicContact CG2-CZ 4.44Å; H220-F222 PolarHBondContact O-N 3.34Å; F222-P224 HydrophobicContact CD1-CG 4.38Å; F222-P224 HydrophobicContact CE1-CG 3.71Å; F222-P224 HydrophobicContact CE2-CG 4.06Å; F222-P224 HydrophobicContact CZ-CG 3.53Å; F222-V241 WeakPolarHBondContact CA-O 3.43Å; F222-V241 HydrophobicContact CD2-CB 4.1Å; F222-V241 HydrophobicContact CD2-CG1 4.19Å; F222-V241 HydrophobicContact CE2-CG1 4.25Å
223Y94.2Very high92.4Very high66 Ų6632.5 Ų32.526%0.25917%0.172SC..EExtended strand (participates in β ladder)trans-138.485.7-173.1-48.6-60.3000110.6L225 I226 V233 V241 A242 G243Y223-L225 PolarHBondContact O-N 3.2Å; Y223-I226 HydrophobicContact CD2-CD1 4.03Å; Y223-I226 HydrophobicContact CD2-CG1 4.49Å; Y223-I226 HydrophobicContact CG-CD1 4.34Å; Y223-I226 HydrophobicContact CG-CG1 4.3Å; Y223-V233 HydrophobicContact CD2-CG2 4.12Å; Y223-V233 HydrophobicContact CE2-CB 4.19Å; Y223-V233 HydrophobicContact CE2-CG2 3.93Å; Y223-V241 PolarHBondContact N-O 3.19Å; Y223-A242 CarbonylContact O-C 3.59Å; Y223-A242 VanDerWaalsContact O-CA 3.26Å; Y223-A242 WeakPolarHBondContact O-CA 3.4Å; Y223-G243 PolarHBondContact O-N 2.73Å
224P95.2Very high92.4Very high0 Ų032.4 Ų32.40%017%0.172CC..EExtended strand (participates in β ladder)trans-57-21.8-177.6-2938.4000115.4V64 T203 V206 F222 G243V64-P224 HydrophobicContact CB-CG 4.35Å; V64-P224 HydrophobicContact CG2-CG 3.74Å; T203-P224 HydrophobicContact CG2-CB 4.09Å; V206-P224 HydrophobicContact CB-CB 4.48Å; V206-P224 HydrophobicContact CG1-CB 4.15Å; V206-P224 HydrophobicContact CG1-CG 4.26Å; F222-P224 HydrophobicContact CD1-CG 4.38Å; F222-P224 HydrophobicContact CE1-CG 3.71Å; F222-P224 HydrophobicContact CE2-CG 4.06Å; F222-P224 HydrophobicContact CZ-CG 3.53Å; P224-G243 WeakPolarHBondContact O-CA 3.48Å
225L95.7Very high92.6Very high4 Ų436.2 Ų36.22%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-144.7137170.8179.556.5000108.9F47 F61 L199 L202 T203 Y223 G243F47-L225 HydrophobicContact CB-CD2 4.03Å; F47-L225 HydrophobicContact CD1-CB 4.3Å; F47-L225 HydrophobicContact CD1-CD2 4.3Å; F47-L225 HydrophobicContact CD1-CG 4.07Å; F47-L225 VanDerWaalsContact CE1-O 3.32Å; F47-L225 WeakPolarHBondContact CE1-O 3.41Å; F61-L225 HydrophobicContact CD2-CD2 3.94Å; F61-L225 HydrophobicContact CE2-CD2 4.08Å; L199-L225 HydrophobicContact CD1-CD2 4.24Å; L199-L225 HydrophobicContact CD2-CD1 3.65Å; L199-L225 HydrophobicContact CD2-CD2 3.86Å; L199-L225 HydrophobicContact CD2-CG 4.42Å; L202-L225 HydrophobicContact CD2-CD1 3.91Å; T203-L225 HydrophobicContact CG2-CB 4.26Å; Y223-L225 PolarHBondContact O-N 3.2Å; L225-G243 CarbonylContact C-O 3.59Å; L225-G243 VanDerWaalsContact CA-O 3.3Å; L225-G243 WeakPolarHBondContact CA-O 3.45Å
226I94.1Very high92.4Very high5 Ų537.8 Ų37.83%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-120.1128.1175.4-65.7179.1000109.6Y223 V230 L231 V233 L234 A242 G243Y223-I226 HydrophobicContact CD2-CD1 4.03Å; Y223-I226 HydrophobicContact CD2-CG1 4.49Å; Y223-I226 HydrophobicContact CG-CD1 4.34Å; Y223-I226 HydrophobicContact CG-CG1 4.3Å; I226-V230 HydrophobicContact CG2-CG2 3.86Å; I226-L231 HydrophobicContact CG2-CD2 3.95Å; I226-V233 HydrophobicContact CD1-CG2 3.87Å; I226-L234 HydrophobicContact CD1-CD2 3.86Å; I226-L234 HydrophobicContact CD1-CG 4.36Å; I226-A242 HydrophobicContact CD1-CB 3.66Å; I226-G243 PolarHBondContact N-O 3.17Å
227P92.1Very high92.3Very high3 Ų343.5 Ų43.52%0.01924%0.239CC..  trans-84161.517335.5-36.4000112.1E46 F47 K229 V230E46-P227 HydrophobicContact CB-CB 3.99Å; E46-P227 HydrophobicContact CB-CG 4.5Å; E46-P227 WeakPolarHBondContact O-CB 3.24Å; F47-P227 HydrophobicContact CD1-CG 4.37Å; F47-P227 HydrophobicContact CD2-CB 4.37Å; F47-P227 HydrophobicContact CD2-CG 3.99Å; F47-P227 HydrophobicContact CE1-CG 4.16Å; F47-P227 HydrophobicContact CE2-CG 3.75Å; F47-P227 HydrophobicContact CG-CB 4.45Å; F47-P227 HydrophobicContact CG-CG 4.3Å; F47-P227 HydrophobicContact CZ-CG 3.84Å; P227-K229 VanDerWaalsContact C-N 3.27Å; P227-K229 PolarHBondContact O-N 2.98Å; P227-V230 HydrophobicContact CG-CG2 3.81Å; P227-V230 PolarHBondContact O-N 2.99Å
228D90.2Very high92.3Very high64 Ų6444.4 Ų44.434%0.34225%0.247SC..G310 helixtrans-56.5-34.7-173.7-162.354.1000114.4V230 L231 N248 K251D228-V230 VanDerWaalsContact C-N 3.27Å; D228-V230 PolarHBondContact O-N 2.87Å; D228-L231 WeakPolarHBondContact O-CG 3.27Å; D228-N248 PolarHBondContact OD1-OD1 2.66Å; D228-K251 WeakPolarHBondContact OD1-CD 3.33Å; D228-K251 WeakPolarHBondContact OD1-CE 3.39Å; D228-K251 IonicContact OD1-NZ 2.64Å; D228-K251 PolarHBondContact OD1-NZ 3.43Å; D228-K251 IonicContact OD2-NZ 2.64Å; D228-K251 PolarHBondContact OD2-NZ 2.95Å
229K89.4Confident92.4Very high157 Ų15745 Ų4568%0.68325%0.253SS*.G310 helixtrans-74.8-11.3-174.6-56.9-165.5-162.2166.80114.8E46 P227E46-K229 WeakPolarHBondContact OE1-CD 3.29Å; E46-K229 VanDerWaalsContact OE1-CE 3.26Å; E46-K229 WeakPolarHBondContact OE1-CE 3.46Å; E46-K229 IonicContact OE1-NZ 2.77Å; E46-K229 PolarHBondContact OE1-NZ 3.16Å; E46-K229 VanDerWaalsContact OE2-CD 3.3Å; E46-K229 WeakPolarHBondContact OE2-CD 3.38Å; E46-K229 IonicContact OE2-NZ 2.69Å; P227-K229 VanDerWaalsContact C-N 3.27Å; P227-K229 PolarHBondContact O-N 2.98Å
230V90.9Very high92.6Very high65 Ų6543 Ų4339%0.39424%0.241SC..G310 helixtrans-122.516.8-175-48.10000113.4I226 P227 D228 G232 V233I226-V230 HydrophobicContact CG2-CG2 3.86Å; P227-V230 HydrophobicContact CG-CG2 3.81Å; P227-V230 PolarHBondContact O-N 2.99Å; D228-V230 VanDerWaalsContact C-N 3.27Å; D228-V230 PolarHBondContact O-N 2.87Å; V230-G232 PolarHBondContact O-N 2.83Å; V230-V233 WeakPolarHBondContact O-CG1 3.24Å; V230-V233 WeakPolarHBondContact O-CG2 3.38Å; V230-V233 PolarHBondContact O-N 3.24Å
231L93.9Very high92.9Very high5 Ų541 Ų413%0.02623%0.232CC..G310 helixtrans-54.2-27-177.9-66.8174.3000114.3I226 D228 V233 L234 I244 K251 A252 H255I226-L231 HydrophobicContact CG2-CD2 3.95Å; D228-L231 WeakPolarHBondContact O-CG 3.27Å; L231-V233 PolarHBondContact O-N 3.33Å; L231-L234 HydrophobicContact CD2-CD1 4.32Å; L231-L234 VanDerWaalsContact O-CB 3.27Å; L231-L234 WeakPolarHBondContact O-CB 3.49Å; L231-L234 WeakPolarHBondContact O-CG 3.33Å; L231-L234 PolarHBondContact O-N 2.85Å; L231-I244 HydrophobicContact CD2-CD1 3.53Å; L231-K251 HydrophobicContact CD1-CB 3.67Å; L231-K251 HydrophobicContact CD1-CD 4.32Å; L231-A252 HydrophobicContact CD2-CB 4.05Å; L231-H255 VanDerWaalsContact CB-CD2 3.45Å; L231-H255 WeakPolarHBondContact CB-CD2 3.48Å
232G93.5Very high93.1Very high37 Ų3739.8 Ų39.838%0.38122%0.223SC..G310 helixtrans-57.3-14.3173.300000115.4V230 L234 E235V230-G232 PolarHBondContact O-N 2.83Å; G232-L234 PolarHBondContact O-N 2.96Å; G232-E235 WeakPolarHBondContact O-CB 3.14Å; G232-E235 PolarHBondContact O-N 3.25Å; G232-E235 VanDerWaalsContact O-N 3.17Å
233V93Very high93.2Very high48 Ų4839.4 Ų39.429%0.29122%0.221SC..G310 helixtrans-65.4-15.2169.6-560000113.2Y223 I226 V230 L231 E235 C236Y223-V233 HydrophobicContact CD2-CG2 4.12Å; Y223-V233 HydrophobicContact CE2-CB 4.19Å; Y223-V233 HydrophobicContact CE2-CG2 3.93Å; I226-V233 HydrophobicContact CD1-CG2 3.87Å; V230-V233 WeakPolarHBondContact O-CG1 3.24Å; V230-V233 WeakPolarHBondContact O-CG2 3.38Å; V230-V233 PolarHBondContact O-N 3.24Å; L231-V233 PolarHBondContact O-N 3.33Å; V233-E235 VanDerWaalsContact C-N 3.33Å; V233-C236 VanDerWaalsContact O-CB 3.27Å; V233-C236 WeakPolarHBondContact O-CB 3.42Å; V233-C236 PolarHBondContact O-N 2.83Å
234L94.6Very high93.3Very high1 Ų136.3 Ų36.31%0.00521%0.209CC..G310 helixtrans-77.5-17.8175-61.5171.8000113.1L193 I226 L231 G232 C236 F240 A242 A252 H255 L256L193-L234 HydrophobicContact CD1-CD2 4.22Å; L193-L234 HydrophobicContact CD2-CD1 4.31Å; I226-L234 HydrophobicContact CD1-CD2 3.86Å; I226-L234 HydrophobicContact CD1-CG 4.36Å; L231-L234 HydrophobicContact CD2-CD1 4.32Å; L231-L234 VanDerWaalsContact O-CB 3.27Å; L231-L234 WeakPolarHBondContact O-CB 3.49Å; L231-L234 WeakPolarHBondContact O-CG 3.33Å; L231-L234 PolarHBondContact O-N 2.85Å; G232-L234 PolarHBondContact O-N 2.96Å; L234-C236 PolarHBondContact O-N 3.34Å; L234-F240 HydrophobicContact CB-CZ 4.44Å; L234-F240 HydrophobicContact CD2-CD2 4.34Å; L234-F240 HydrophobicContact CD2-CE1 4.43Å; L234-F240 HydrophobicContact CD2-CE2 3.69Å; L234-F240 HydrophobicContact CD2-CZ 3.73Å; L234-F240 WeakPolarHBondContact O-CE1 3.16Å; L234-A242 HydrophobicContact CD2-CB 4.07Å; L234-A252 HydrophobicContact CD1-CB 3.84Å; L234-H255 CarbonylContact C-O 3.47Å; L234-H255 HydrophobicContact CB-CB 4.05Å; L234-L256 HydrophobicContact CB-CD2 4.23Å; L234-L256 HydrophobicContact CD1-CD2 4.31Å
235E93Very high93.3Very high111 Ų11137 Ų3752%0.51921%0.212SC..G310 helixtrans-74.5-3.8173-59.2177.2-163.200112.3G232 V233 H255G232-E235 WeakPolarHBondContact O-CB 3.14Å; G232-E235 PolarHBondContact O-N 3.25Å; G232-E235 VanDerWaalsContact O-N 3.17Å; V233-E235 VanDerWaalsContact C-N 3.33Å; E235-H255 HydrophobicContact CG-CB 3.98Å; E235-H255 PolarHBondContact N-O 3.32Å; E235-H255 IonicContact OE1-CE1 2.73Å; E235-H255 IonicContact OE1-CG 3.2Å; E235-H255 IonicContact OE1-ND1 2.69Å; E235-H255 PolarHBondContact OE1-ND1 3.12Å
236C87Confident93.1Very high46 Ų4638.5 Ų38.531%0.31122%0.223SC..  trans-65.1127.5-173.4-1550000111.1V233 L234 V238V233-C236 VanDerWaalsContact O-CB 3.27Å; V233-C236 WeakPolarHBondContact O-CB 3.42Å; V233-C236 PolarHBondContact O-N 2.83Å; L234-C236 PolarHBondContact O-N 3.34Å; C236-V238 PolarHBondContact O-N 2.78Å
237P88.4Confident93Very high126 Ų12641.1 Ų41.182%0.81824%0.241SC*.SBendtrans-77-2.9-176.331.5-37.3000114
238V91.4Very high93Very high65 Ų6541.4 Ų41.439%0.39424%0.243SC..SBendtrans-91.9155.4170.9-54.70000110.3C236C236-V238 PolarHBondContact O-N 2.78Å
239P94.3Very high93.1Very high24 Ų2439.1 Ų39.116%0.15623%0.231CC..  trans-54.2146.9176.9-2635.9000112.7E189 W218 H220E189-P239 HydrophobicContact CB-CB 4.1Å; E189-P239 HydrophobicContact CB-CG 3.74Å; E189-P239 VanDerWaalsContact O-CB 3.31Å; E189-P239 WeakPolarHBondContact O-CB 3.19Å; E189-P239 WeakPolarHBondContact O-CG 3.06Å; W218-P239 HydrophobicContact CH2-CB 3.82Å; W218-P239 HydrophobicContact CZ2-CB 3.87Å; H220-P239 HydrophobicContact CB-CB 4.27Å; H220-P239 WeakPolarHBondContact CB-O 3.19Å
240F95.6Very high93.3Very high1 Ų137.3 Ų37.30%0.00422%0.224CC..EExtended strand (participates in β ladder)trans-140.3155.2173.462.3-106.3000112.6S191 L192 L193 S221 L234 A242 L256 T260S191-F240 CarbonylContact C-O 2.96Å; S191-F240 VanDerWaalsContact CA-O 3.28Å; S191-F240 WeakPolarHBondContact CA-O 3.43Å; S191-F240 PolarHBondContact OG-N 3.16Å; L192-F240 PolarHBondContact N-O 2.74Å; L193-F240 HydrophobicContact CB-CE2 4.35Å; S221-F240 WeakPolarHBondContact O-CA 3.47Å; L234-F240 HydrophobicContact CB-CZ 4.44Å; L234-F240 HydrophobicContact CD2-CD2 4.34Å; L234-F240 HydrophobicContact CD2-CE1 4.43Å; L234-F240 HydrophobicContact CD2-CE2 3.69Å; L234-F240 HydrophobicContact CD2-CZ 3.73Å; L234-F240 WeakPolarHBondContact O-CE1 3.16Å; F240-A242 HydrophobicContact CD2-CB 3.71Å; F240-A242 HydrophobicContact CE2-CB 4.01Å; F240-L256 HydrophobicContact CZ-CD2 4.33Å; F240-T260 HydrophobicContact CE2-CG2 4.15Å; F240-T260 HydrophobicContact CZ-CG2 3.81Å
241V97.1Very high93.3Very high0 Ų038.5 Ų38.50%022%0.224CC..EExtended strand (participates in β ladder)trans-121.6111.6164.7175.60000107.8L186 L192 F194 V206 V210 W218 S221 F222 Y223L186-V241 HydrophobicContact CD2-CG2 3.42Å; L186-V241 VanDerWaalsContact CD2-CG2 3.42Å; L192-V241 HydrophobicContact CB-CG2 4.49Å; L192-V241 HydrophobicContact CD1-CG2 4.47Å; F194-V241 HydrophobicContact CE2-CG1 4.29Å; V206-V241 HydrophobicContact CG1-CG1 3.85Å; V210-V241 HydrophobicContact CG2-CB 4.45Å; V210-V241 HydrophobicContact CG2-CG1 3.93Å; V210-V241 HydrophobicContact CG2-CG2 4.5Å; W218-V241 HydrophobicContact CD2-CG2 4.17Å; W218-V241 HydrophobicContact CH2-CG2 4.17Å; W218-V241 HydrophobicContact CZ2-CG2 3.72Å; S221-V241 PolarHBondContact O-N 3.24Å; F222-V241 WeakPolarHBondContact CA-O 3.43Å; F222-V241 HydrophobicContact CD2-CB 4.1Å; F222-V241 HydrophobicContact CD2-CG1 4.19Å; F222-V241 HydrophobicContact CE2-CG1 4.25Å; Y223-V241 PolarHBondContact N-O 3.19Å
242A97.2Very high93.3Very high0 Ų038.2 Ų38.20%022%0.223CC..EExtended strand (participates in β ladder)trans-127.9153.1-17000000112L192 L193 F194 Y223 I226 L234 F240L192-A242 PolarHBondContact O-N 3.49Å; L193-A242 CarbonylContact C-O 3.5Å; L193-A242 WeakPolarHBondContact CA-O 3.4Å; L193-A242 HydrophobicContact CD1-CB 3.73Å; F194-A242 PolarHBondContact N-O 3Å; Y223-A242 CarbonylContact O-C 3.59Å; Y223-A242 VanDerWaalsContact O-CA 3.26Å; Y223-A242 WeakPolarHBondContact O-CA 3.4Å; I226-A242 HydrophobicContact CD1-CB 3.66Å; L234-A242 HydrophobicContact CD2-CB 4.07Å; F240-A242 HydrophobicContact CD2-CB 3.71Å; F240-A242 HydrophobicContact CE2-CB 4.01Å
243G97.5Very high93.2Very high0 Ų038.5 Ų38.50%021%0.213CC..EExtended strand (participates in β ladder)trans-126.5142.5168.900000111.7F194 Y223 P224 L225 I226F194-G243 CarbonylContact O-C 3.53Å; F194-G243 WeakPolarHBondContact O-CA 3.5Å; Y223-G243 PolarHBondContact O-N 2.73Å; P224-G243 WeakPolarHBondContact O-CA 3.48Å; L225-G243 CarbonylContact C-O 3.59Å; L225-G243 VanDerWaalsContact CA-O 3.3Å; L225-G243 WeakPolarHBondContact CA-O 3.45Å; I226-G243 PolarHBondContact N-O 3.17Å
244I95.8Very high93.1Very high0 Ų044 Ų440%024%0.236CC..EExtended strand (participates in β ladder)trans-135.6142.6176.3-163.8175000112.1L193 F194 C195 S196 L202 L231 N248 L249 A252L193-I244 HydrophobicContact CD1-CB 4.09Å; L193-I244 HydrophobicContact CD1-CG2 3.86Å; L193-I244 HydrophobicContact CD2-CG2 4.18Å; L193-I244 HydrophobicContact CG-CG2 4.13Å; F194-I244 PolarHBondContact O-N 2.95Å; C195-I244 VanDerWaalsContact CA-O 3.31Å; C195-I244 WeakPolarHBondContact CA-O 3.47Å; C195-I244 HydrophobicContact CB-CG2 3.88Å; S196-I244 PolarHBondContact N-O 3.15Å; L202-I244 VanDerWaalsContact CD2-C 3.46Å; L202-I244 WeakPolarHBondContact CD2-O 3.44Å; L231-I244 HydrophobicContact CD2-CD1 3.53Å; I244-N248 HydrophobicContact CD1-CB 3.8Å; I244-N248 WeakPolarHBondContact CD1-O 3.24Å; I244-N248 HydrophobicContact CG1-CB 4.18Å; I244-L249 HydrophobicContact CG2-CD1 4.29Å; I244-A252 HydrophobicContact CD1-CB 3.4Å
245H94.4Very high93Very high14 Ų1446.4 Ų46.47%0.06525%0.247CC..EExtended strand (participates in β ladder)trans-70.5138.4169.7-167.7-84.6000110.4C51 S196 R197 L199 C247 N248C51-H245 PolarHBondContact SG-CE1 3.43Å; C51-H245 PolarHBondContact SG-ND1 2.91Å; S196-H245 WeakPolarHBondContact O-CA 3.48Å; R197-H245 PolarHBondContact O-NE2 3.49Å; R197-H245 VanDerWaalsContact O-NE2 3.16Å; L199-H245 HydrophobicContact CD2-CB 4.17Å; H245-C247 PolarHBondContact ND1-N 3.41Å; H245-C247 PolarHBondContact O-N 2.85Å; H245-N248 PolarHBondContact O-N 3.12Å
246S92.7Very high93Very high37 Ų3741.8 Ų41.826%0.25923%0.226SC..G310 helixtrans-57.5-21.9-171.471.60000115S196 R197 N248 L249S196-S246 PolarHBondContact O-N 2.74Å; R197-S246 WeakPolarHBondContact CG-OG 3.12Å; S246-N248 VanDerWaalsContact C-N 3.25Å; S246-N248 PolarHBondContact O-N 3.1Å; S246-L249 WeakPolarHBondContact O-CB 3.37Å; S246-L249 PolarHBondContact O-N 2.69Å
247C91.3Very high93.1Very high59 Ų5942 Ų4240%0.39923%0.227SC..G310 helixtrans-65.4-26.3178.8760000113.2C50 C51 H245C50-C247 PolarHBondContact O-SG 3.36Å; C50-C247 VanDerWaalsContact O-SG 3.34Å; C51-C247 HydrophobicContact CB-CB 3.79Å; C51-C247 WeakPolarHBondContact CB-SG 3.43Å; C51-C247 WeakPolarHBondContact SG-CB 3.44Å; C51-C247 CovalentContact SG-SG 2.04Å; C51-C247 PolarHBondContact SG-SG 2.88Å; H245-C247 PolarHBondContact ND1-N 3.41Å; H245-C247 PolarHBondContact O-N 2.85Å
248N92.1Very high93Very high9 Ų939.6 Ų39.65%0.04822%0.218CC..G310 helixtrans-104.56.5178.6-62.5-33.6000112.6D228 I244 H245 S246 E250 A252D228-N248 PolarHBondContact OD1-OD1 2.66Å; I244-N248 HydrophobicContact CD1-CB 3.8Å; I244-N248 WeakPolarHBondContact CD1-O 3.24Å; I244-N248 HydrophobicContact CG1-CB 4.18Å; H245-N248 PolarHBondContact O-N 3.12Å; S246-N248 VanDerWaalsContact C-N 3.25Å; S246-N248 PolarHBondContact O-N 3.1Å; N248-E250 PolarHBondContact O-N 3.4Å; N248-A252 WeakPolarHBondContact O-CB 3.13Å; N248-A252 PolarHBondContact O-N 3.16Å
249L92.9Very high92.8Very high17 Ų1737.9 Ų37.99%0.08921%0.214CC..Hα-helixtrans-62.3-38.8-175.1178.261000113C195 I244 S246 A252 K253 L262C195-L249 HydrophobicContact CB-CD1 4.14Å; C195-L249 HydrophobicContact CB-CD2 4.34Å; I244-L249 HydrophobicContact CG2-CD1 4.29Å; S246-L249 WeakPolarHBondContact O-CB 3.37Å; S246-L249 PolarHBondContact O-N 2.69Å; L249-A252 PolarHBondContact O-N 2.9Å; L249-K253 WeakPolarHBondContact O-CG 3.38Å; L249-K253 PolarHBondContact O-N 2.98Å; L249-L262 HydrophobicContact CD1-CD1 3.79Å; L249-L262 HydrophobicContact CD1-CD2 4.23Å
250E91.7Very high92.8Very high118 Ų11836.9 Ų36.955%0.55121%0.207SC*.Hα-helixtrans-65.7-50.3-178.6-59.6-52.7125.700111.4N248 A252 K253N248-E250 PolarHBondContact O-N 3.4Å; E250-A252 VanDerWaalsContact C-N 3.25Å; E250-A252 PolarHBondContact O-N 2.95Å; E250-K253 WeakPolarHBondContact O-CB 3.26Å; E250-K253 PolarHBondContact O-N 3.4Å; E250-K253 VanDerWaalsContact O-N 3.1Å; E250-K253 WeakPolarHBondContact OE1-CE 3.3Å; E250-K253 IonicContact OE1-NZ 2.77Å; E250-K253 PolarHBondContact OE1-NZ 3.17Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 2.72Å; E250-K253 PolarHBondContact OE2-NZ 2.92Å
251K92.5Very high92.7Very high90 Ų9038 Ų3839%0.39121%0.211SC..Hα-helixtrans-54.3-42.6172.1-61.7170.9-179.7168.50111.7D228 L231 K253 E254 H255D228-K251 WeakPolarHBondContact OD1-CD 3.33Å; D228-K251 WeakPolarHBondContact OD1-CE 3.39Å; D228-K251 IonicContact OD1-NZ 2.64Å; D228-K251 PolarHBondContact OD1-NZ 3.43Å; D228-K251 IonicContact OD2-NZ 2.64Å; D228-K251 PolarHBondContact OD2-NZ 2.95Å; L231-K251 HydrophobicContact CD1-CB 3.67Å; L231-K251 HydrophobicContact CD1-CD 4.32Å; K251-K253 VanDerWaalsContact C-N 3.26Å; K251-K253 PolarHBondContact O-N 3.11Å; K251-E254 WeakPolarHBondContact O-CB 3.25Å; K251-E254 PolarHBondContact O-N 3.11Å; K251-E254 VanDerWaalsContact O-N 3.12Å; K251-H255 PolarHBondContact O-CD2 3.28Å
252A93.4Very high92.6Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-63.1-29-17900000113.6L193 L231 L234 I244 N248 L249 E250 E254 H255 L256L193-A252 HydrophobicContact CD2-CB 4.47Å; L231-A252 HydrophobicContact CD2-CB 4.05Å; L234-A252 HydrophobicContact CD1-CB 3.84Å; I244-A252 HydrophobicContact CD1-CB 3.4Å; N248-A252 WeakPolarHBondContact O-CB 3.13Å; N248-A252 PolarHBondContact O-N 3.16Å; L249-A252 PolarHBondContact O-N 2.9Å; E250-A252 VanDerWaalsContact C-N 3.25Å; E250-A252 PolarHBondContact O-N 2.95Å; A252-E254 PolarHBondContact O-N 2.94Å; A252-H255 PolarHBondContact O-N 3.28Å; A252-L256 WeakPolarHBondContact O-CG 3.49Å; A252-L256 PolarHBondContact O-N 3.02Å
253K91.7Very high92.5Very high42 Ų4238.1 Ų38.118%0.18321%0.212CC..Hα-helixtrans-62.6-31.6175.4-66.6171.3-161.4174.10112.3L249 E250 K251 H255 L256L249-K253 WeakPolarHBondContact O-CG 3.38Å; L249-K253 PolarHBondContact O-N 2.98Å; E250-K253 WeakPolarHBondContact O-CB 3.26Å; E250-K253 PolarHBondContact O-N 3.4Å; E250-K253 VanDerWaalsContact O-N 3.1Å; E250-K253 WeakPolarHBondContact OE1-CE 3.3Å; E250-K253 IonicContact OE1-NZ 2.77Å; E250-K253 PolarHBondContact OE1-NZ 3.17Å; E250-K253 WeakPolarHBondContact OE2-CE 3.34Å; E250-K253 IonicContact OE2-NZ 2.72Å; E250-K253 PolarHBondContact OE2-NZ 2.92Å; K251-K253 VanDerWaalsContact C-N 3.26Å; K251-K253 PolarHBondContact O-N 3.11Å; K253-H255 PolarHBondContact O-N 3.31Å; K253-L256 PolarHBondContact O-N 2.82Å
254E90.7Very high92.4Very high164 Ų16439.3 Ų39.377%0.76622%0.219SC*.Hα-helixtrans-65.7-27.8178.5-55.5178.8-176.800111.5K251 A252K251-E254 WeakPolarHBondContact O-CB 3.25Å; K251-E254 PolarHBondContact O-N 3.11Å; K251-E254 VanDerWaalsContact O-N 3.12Å; A252-E254 PolarHBondContact O-N 2.94Å
255H93Very high92.5Very high51 Ų5139.3 Ų39.324%0.23622%0.219CC..THydrogen-bonded Turntrans-94.73.2177.3-60.5-73.2000114L231 L234 E235 K251 A252 K253L231-H255 VanDerWaalsContact CB-CD2 3.45Å; L231-H255 WeakPolarHBondContact CB-CD2 3.48Å; L234-H255 CarbonylContact C-O 3.47Å; L234-H255 HydrophobicContact CB-CB 4.05Å; E235-H255 HydrophobicContact CG-CB 3.98Å; E235-H255 PolarHBondContact N-O 3.32Å; E235-H255 IonicContact OE1-CE1 2.73Å; E235-H255 IonicContact OE1-CG 3.2Å; E235-H255 IonicContact OE1-ND1 2.69Å; E235-H255 PolarHBondContact OE1-ND1 3.12Å; K251-H255 PolarHBondContact O-CD2 3.28Å; A252-H255 PolarHBondContact O-N 3.28Å; K253-H255 PolarHBondContact O-N 3.31Å
256L91.9Very high92.5Very high14 Ų1440.2 Ų40.27%0.07322%0.224CC..PPolyproline II helixtrans-83.6127.8-176-75-169.9000113.6L193 L234 F240 A252 K253 T260 H273L193-L256 HydrophobicContact CD2-CD1 4.39Å; L193-L256 HydrophobicContact CD2-CD2 3.96Å; L234-L256 HydrophobicContact CB-CD2 4.23Å; L234-L256 HydrophobicContact CD1-CD2 4.31Å; F240-L256 HydrophobicContact CZ-CD2 4.33Å; A252-L256 WeakPolarHBondContact O-CG 3.49Å; A252-L256 PolarHBondContact O-N 3.02Å; K253-L256 PolarHBondContact O-N 2.82Å; L256-T260 HydrophobicContact CD1-CG2 4.46Å; L256-T260 HydrophobicContact CD2-CG2 3.9Å; L256-H273 HydrophobicContact CB-CB 4.47Å; L256-H273 HydrophobicContact CD1-CB 4Å; L256-H273 PolarHBondContact O-NE2 3.04Å
257C89Confident92.5Very high51 Ų5143.1 Ų43.135%0.34524%0.236SC..PPolyproline II helixtrans-68.1144.6166.1-73.60000112.2G259 T260C257-G259 PolarHBondContact O-N 3.44Å; C257-T260 WeakPolarHBondContact O-CB 3.47Å; C257-T260 PolarHBondContact O-N 2.88Å; C257-T260 VanDerWaalsContact O-N 3.11Å; C257-T260 PolarHBondContact O-OG1 2.62Å
258A87.1Confident92.6Very high75 Ų7540.9 Ų40.962%0.6222%0.223SC*.THydrogen-bonded Turntrans-54131.5175.200000112P275A258-P275 HydrophobicContact CB-CG 3.77Å
259G87.5Confident92.6Very high30 Ų3043.3 Ų43.331%0.30923%0.234SC..THydrogen-bonded Turntrans86.3-0.2-177.600000115.1C257 R261 H273C257-G259 PolarHBondContact O-N 3.44Å; G259-R261 PolarHBondContact O-N 2.7Å; G259-R261 PolarHBondContact O-NH1 2.97Å; G259-H273 PolarHBondContact N-O 3.3Å
260T92.9Very high92.6Very high2 Ų243 Ų431%0.01223%0.232CC..  trans-56.4136.9168.8-57.30000110.3L193 F240 L256 C257 H273L193-T260 HydrophobicContact CB-CG2 4.38Å; F240-T260 HydrophobicContact CE2-CG2 4.15Å; F240-T260 HydrophobicContact CZ-CG2 3.81Å; L256-T260 HydrophobicContact CD1-CG2 4.46Å; L256-T260 HydrophobicContact CD2-CG2 3.9Å; C257-T260 WeakPolarHBondContact O-CB 3.47Å; C257-T260 PolarHBondContact O-N 2.88Å; C257-T260 VanDerWaalsContact O-N 3.11Å; C257-T260 PolarHBondContact O-OG1 2.62Å; T260-H273 PolarHBondContact O-N 3.39Å
261R93.4Very high92.5Very high24 Ų2438.2 Ų38.29%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-92.6109.1178.1-63.4-56.9-168.9-100.217109.5S191 L192 L193 G259 I270 Y271 E288S191-R261 PolarHBondContact O-N 2.96Å; L192-R261 WeakPolarHBondContact CA-O 3.29Å; L192-R261 HydrophobicContact CD2-CB 3.68Å; L192-R261 HydrophobicContact CG-CB 4.33Å; L193-R261 PolarHBondContact N-O 2.88Å; G259-R261 PolarHBondContact O-N 2.7Å; G259-R261 PolarHBondContact O-NH1 2.97Å; R261-I270 HydrophobicContact CB-CD1 4.4Å; R261-Y271 WeakPolarHBondContact CA-O 3.41Å; R261-E288 PolarHBondContact NH2-O 2.73Å
262L95.4Very high92.3Very high4 Ų434.6 Ų34.62%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-89.7122.8176.3179.367.8000109.4L193 L249 I270 Y271 L280L193-L262 HydrophobicContact CB-CD1 4.21Å; L193-L262 HydrophobicContact CD2-CD1 4.06Å; L193-L262 HydrophobicContact CG-CD1 4.01Å; L193-L262 CarbonylContact O-C 3.56Å; L193-L262 WeakPolarHBondContact O-CA 3.35Å; L249-L262 HydrophobicContact CD1-CD1 3.79Å; L249-L262 HydrophobicContact CD1-CD2 4.23Å; L262-I270 CarbonylContact O-C 3.16Å; L262-I270 VanDerWaalsContact O-CA 3.31Å; L262-I270 WeakPolarHBondContact O-CA 3.43Å; L262-Y271 HydrophobicContact CD2-CD2 4.15Å; L262-Y271 HydrophobicContact CG-CD2 4.37Å; L262-Y271 PolarHBondContact N-O 2.95Å; L262-Y271 PolarHBondContact O-N 3.39Å; L262-L280 HydrophobicContact CD2-CD1 4.34Å; L262-L280 HydrophobicContact CD2-CD2 3.87Å
263V96.2Very high92Very high0 Ų035.8 Ų35.80%020%0.2CC..EExtended strand (participates in β ladder)trans-109.7106.8178.6-176.20000109.3L174 I182 L192 L193 F194 C195 L265 I270L174-V263 HydrophobicContact CD1-CG1 4.36Å; L174-V263 HydrophobicContact CD2-CG1 4.28Å; I182-V263 HydrophobicContact CD1-CG1 4.01Å; I182-V263 HydrophobicContact CD1-CG2 4.18Å; I182-V263 HydrophobicContact CG1-CG2 4.2Å; L192-V263 HydrophobicContact CD2-CG2 3.9Å; L193-V263 PolarHBondContact O-N 3.39Å; F194-V263 CarbonylContact C-O 3.39Å; F194-V263 WeakPolarHBondContact CA-O 3.47Å; F194-V263 HydrophobicContact CD1-CB 3.67Å; F194-V263 HydrophobicContact CD1-CG1 3.68Å; F194-V263 HydrophobicContact CD1-CG2 4.22Å; F194-V263 HydrophobicContact CE1-CB 3.95Å; F194-V263 HydrophobicContact CE1-CG1 3.78Å; F194-V263 HydrophobicContact CE1-CG2 4.07Å; F194-V263 HydrophobicContact CG-CB 4.12Å; F194-V263 HydrophobicContact CZ-CG2 4.29Å; C195-V263 PolarHBondContact N-O 3.17Å; V263-L265 HydrophobicContact CG1-CD2 4.08Å; V263-I270 HydrophobicContact CG2-CD1 3.89Å; V263-I270 HydrophobicContact CG2-CG1 3.99Å
264D95.8Very high91.5Very high25 Ų2536.7 Ų36.713%0.13420%0.204CC..EExtended strand (participates in β ladder)trans-86.8112.4174.8-171.1-41.9000109.8D266 L267 G268 Q269 Y271D264-D266 WeakPolarHBondContact OD1-CA 3.35Å; D264-D266 PolarHBondContact OD1-N 3.23Å; D264-L267 HydrophobicContact CB-CB 4.23Å; D264-L267 PolarHBondContact OD1-N 3.49Å; D264-L267 WeakPolarHBondContact OD2-CD1 3.46Å; D264-L267 WeakPolarHBondContact OD2-CG 3.34Å; D264-G268 CarbonylContact O-C 3.6Å; D264-G268 WeakPolarHBondContact O-CA 3.49Å; D264-G268 PolarHBondContact O-N 3.33Å; D264-Q269 PolarHBondContact N-O 2.98Å; D264-Q269 PolarHBondContact O-N 3.34Å; D264-Y271 HydrophobicContact CB-CE2 4.04Å
265L96.5Very high90.3Very high0 Ų032.7 Ų32.70%019%0.192CC..THydrogen-bonded Turntrans-86.1-5.8-177.6-61.2170.1000113.5A173 L174 F194 C195 K201 L202 C205 V263A173-L265 HydrophobicContact CB-CD2 4.37Å; L174-L265 HydrophobicContact CD1-CD2 3.91Å; L174-L265 HydrophobicContact CD2-CD2 3.97Å; L174-L265 HydrophobicContact CG-CD2 3.9Å; F194-L265 HydrophobicContact CB-CD1 4.23Å; F194-L265 HydrophobicContact CD1-CD1 4.14Å; F194-L265 HydrophobicContact CD1-CD2 4.01Å; F194-L265 HydrophobicContact CD1-CG 4.21Å; C195-L265 WeakPolarHBondContact O-CB 3.36Å; C195-L265 PolarHBondContact O-N 2.79Å; K201-L265 HydrophobicContact CD-CB 3.66Å; K201-L265 WeakPolarHBondContact CD-O 3.34Å; K201-L265 HydrophobicContact CG-CB 4.46Å; K201-L265 PolarHBondContact NZ-O 3.14Å; L202-L265 HydrophobicContact CD1-CD1 4.13Å; C205-L265 HydrophobicContact CB-CD1 3.66Å; C205-L265 HydrophobicContact CB-CD2 3.83Å; C205-L265 HydrophobicContact CB-CG 4.42Å; V263-L265 HydrophobicContact CG1-CD2 4.08Å
266D94.3Very high88.7Confident32 Ų3236.7 Ų36.717%0.17122%0.22CC..THydrogen-bonded Turntrans-98.4-39.3177.4-67.7-12000111S196 R197 K201 D264S196-D266 PolarHBondContact OG-OD1 3.44Å; R197-D266 WeakPolarHBondContact CB-OD2 3.16Å; R197-D266 WeakPolarHBondContact CG-OD2 3.4Å; R197-D266 PolarHBondContact N-OD2 3.49Å; K201-D266 IonicContact NZ-OD1 2.7Å; K201-D266 PolarHBondContact NZ-OD1 3.01Å; D264-D266 WeakPolarHBondContact OD1-CA 3.35Å; D264-D266 PolarHBondContact OD1-N 3.23Å
267L93.2Very high86.9Confident99 Ų9938.5 Ų38.552%0.51823%0.232SC..THydrogen-bonded Turntrans-80-25.9168.4-60.6-178.1000112.9D264 Q269D264-L267 HydrophobicContact CB-CB 4.23Å; D264-L267 PolarHBondContact OD1-N 3.49Å; D264-L267 WeakPolarHBondContact OD2-CD1 3.46Å; D264-L267 WeakPolarHBondContact OD2-CG 3.34Å; L267-Q269 HydrophobicContact CB-CG 4.25Å
268G93Very high85.1Confident12 Ų1243.9 Ų43.912%0.12426%0.257CS..THydrogen-bonded Turntrans72.147.2-176.200000112.3L178 D264L178-G268 VanDerWaalsContact CD1-O 3.24Å; L178-G268 WeakPolarHBondContact CD1-O 3.5Å; D264-G268 CarbonylContact O-C 3.6Å; D264-G268 WeakPolarHBondContact O-CA 3.49Å; D264-G268 PolarHBondContact O-N 3.33Å
269Q92Very high83.4Confident60 Ų6045.8 Ų45.828%0.2826%0.257SS..EExtended strand (participates in β ladder)trans-136.4164.7-173-63.9-170.514.300112.3D264 L267 Y271D264-Q269 PolarHBondContact N-O 2.98Å; D264-Q269 PolarHBondContact O-N 3.34Å; L267-Q269 HydrophobicContact CB-CG 4.25Å; Q269-Y271 HydrophobicContact CB-CE1 4.19Å; Q269-Y271 HydrophobicContact CB-CE2 4.23Å; Q269-Y271 WeakPolarHBondContact CB-OH 3.39Å; Q269-Y271 PolarHBondContact OE1-OH 3.46Å
270I92.4Very high81.8Confident9 Ų947.2 Ų47.25%0.04626%0.258CS..EExtended strand (participates in β ladder)trans-130.1138.3174.4-166.6166.9000109.9L178 I182 R261 L262 V263 M285 L289L178-I270 HydrophobicContact CD2-CB 3.94Å; L178-I270 HydrophobicContact CD2-CG2 3.43Å; L178-I270 VanDerWaalsContact CD2-CG2 3.43Å; I182-I270 HydrophobicContact CG1-CD1 4.24Å; R261-I270 HydrophobicContact CB-CD1 4.4Å; L262-I270 CarbonylContact O-C 3.16Å; L262-I270 VanDerWaalsContact O-CA 3.31Å; L262-I270 WeakPolarHBondContact O-CA 3.43Å; V263-I270 HydrophobicContact CG2-CD1 3.89Å; V263-I270 HydrophobicContact CG2-CG1 3.99Å; I270-M285 HydrophobicContact CG2-SD 3.91Å; I270-L289 HydrophobicContact CD1-CD2 3.82Å; I270-L289 HydrophobicContact CG1-CD2 4.36Å; I270-L289 HydrophobicContact CG2-CD1 3.89Å; I270-L289 HydrophobicContact CG2-CD2 4.3Å
271Y89.9Confident79.9Confident18 Ų1851.6 Ų51.67%0.07128%0.278CS..EExtended strand (participates in β ladder)trans-128.3157-178.4-48.4-70.7000110.8R261 L262 D264 Q269 L280 T282R261-Y271 WeakPolarHBondContact CA-O 3.41Å; L262-Y271 HydrophobicContact CD2-CD2 4.15Å; L262-Y271 HydrophobicContact CG-CD2 4.37Å; L262-Y271 PolarHBondContact N-O 2.95Å; L262-Y271 PolarHBondContact O-N 3.39Å; D264-Y271 HydrophobicContact CB-CE2 4.04Å; Q269-Y271 HydrophobicContact CB-CE1 4.19Å; Q269-Y271 HydrophobicContact CB-CE2 4.23Å; Q269-Y271 WeakPolarHBondContact CB-OH 3.39Å; Q269-Y271 PolarHBondContact OE1-OH 3.46Å; Y271-L280 HydrophobicContact CD2-CD2 4.2Å; Y271-L280 HydrophobicContact CG-CD2 4.05Å; Y271-T282 HydrophobicContact CE1-CG2 4.23Å
272V89.3Confident77.9Confident14 Ų1454.9 Ų54.99%0.08530%0.301CS..EExtended strand (participates in β ladder)trans-105119.3170.4-174.90000108.4K274V272-K274 HydrophobicContact CG1-CG 4.4Å; V272-K274 PolarHBondContact O-N 3.28Å
273H86.9Confident75.8Confident25 Ų2556.9 Ų56.912%0.11631%0.31CS..  trans-68.4122.4175.7178.780.7000110.6L256 G259 T260L256-H273 HydrophobicContact CB-CB 4.47Å; L256-H273 HydrophobicContact CD1-CB 4Å; L256-H273 PolarHBondContact O-NE2 3.04Å; G259-H273 PolarHBondContact N-O 3.3Å; T260-H273 PolarHBondContact O-N 3.39Å
274K81.2Confident73.5Confident62 Ų6265.5 Ų65.527%0.2735%0.35SS..  trans-126.8105.3-179.7-72.5174.6175.2172.20108V272 T276 T277 E283 E288V272-K274 HydrophobicContact CG1-CG 4.4Å; V272-K274 PolarHBondContact O-N 3.28Å; K274-T276 PolarHBondContact O-N 2.83Å; K274-T277 PolarHBondContact O-N 2.94Å; K274-E283 IonicContact NZ-OE1 3.97Å; K274-E283 PolarHBondContact NZ-OE1 2.87Å; K274-E283 IonicContact NZ-OE2 3.91Å; K274-E288 WeakPolarHBondContact CE-OE2 3.2Å; K274-E288 IonicContact NZ-OE1 2.78Å; K274-E288 PolarHBondContact NZ-OE1 3.25Å; K274-E288 IonicContact NZ-OE2 2.73Å; K274-E288 PolarHBondContact NZ-OE2 3.22Å
275P65.4Low71.4Confident80 Ų8067.2 Ų67.252%0.51936%0.358SS..THydrogen-bonded Turntrans-63.7-13-166.7-24.932.3000116.8A258 T277A258-P275 HydrophobicContact CB-CG 3.77Å; P275-T277 VanDerWaalsContact C-N 3.3Å; P275-T277 PolarHBondContact O-N 3.34Å
276T59.7Low69.2Low134 Ų13471.9 Ų71.982%0.82238%0.383SS*.THydrogen-bonded Turntrans-83.4-2.9-17648.90000114.1K274K274-T276 PolarHBondContact O-N 2.83Å
277T53.6Low67Low52 Ų5278.2 Ų78.232%0.31941%0.413SS..  trans-143.9124.2179.546.20000109.5K274 P275 D279K274-T277 PolarHBondContact O-N 2.94Å; P275-T277 VanDerWaalsContact C-N 3.3Å; P275-T277 PolarHBondContact O-N 3.34Å; T277-D279 PolarHBondContact O-N 2.94Å
278N51.9Low65.3Low164 Ų16478.4 Ų78.488%0.87741%0.412SS*.SBendtrans-66.5-12.9170.5-74.70.1000112.3L280N278-L280 PolarHBondContact O-N 3.23Å
279D50.4Low63.9Low116 Ų11678.5 Ų78.562%0.6241%0.409SS*.SBendtrans-73119.5173.2-63-53000112.2T277 H281T277-D279 PolarHBondContact O-N 2.94Å; D279-H281 PolarHBondContact O-N 3.45Å; D279-H281 VanDerWaalsContact O-N 3.11Å
280L54.5Low63.1Low60 Ų6077.9 Ų77.931%0.31442%0.419SS..  trans-75.393.5167.7-80.4152.1000109.9L262 Y271 N278 T282L262-L280 HydrophobicContact CD2-CD1 4.34Å; L262-L280 HydrophobicContact CD2-CD2 3.87Å; Y271-L280 HydrophobicContact CD2-CD2 4.2Å; Y271-L280 HydrophobicContact CG-CD2 4.05Å; N278-L280 PolarHBondContact O-N 3.23Å; L280-T282 PolarHBondContact O-N 3.35Å
281H52.4Low62.8Low93 Ų9378.1 Ų78.143%0.43142%0.42SS..  trans-64.8121.5175.6-65.1-39.9000111.5D279 E283D279-H281 PolarHBondContact O-N 3.45Å; D279-H281 VanDerWaalsContact O-N 3.11Å; H281-E283 HydrophobicContact CB-CG 4.47Å; H281-E283 PolarHBondContact O-N 2.99Å
282T52.9Low62.8Low94 Ų9478.2 Ų78.258%0.57742%0.423SS*.  trans-80105.3170.8-49.40000108.7Y271 L280Y271-T282 HydrophobicContact CE1-CG2 4.23Å; L280-T282 PolarHBondContact O-N 3.35Å
283E50.3Low62.7Low46 Ų4685.4 Ų85.422%0.21545%0.454CS..  trans-93153.6-171.9-72.5176-171.900113.5K274 H281 M285 E288K274-E283 IonicContact NZ-OE1 3.97Å; K274-E283 PolarHBondContact NZ-OE1 2.87Å; K274-E283 IonicContact NZ-OE2 3.91Å; H281-E283 HydrophobicContact CB-CG 4.47Å; H281-E283 PolarHBondContact O-N 2.99Å; E283-M285 PolarHBondContact O-N 3.25Å; E283-E288 WeakPolarHBondContact OE2-CB 3.38Å
284H47.3Very low62.7Low181 Ų18186 Ų8684%0.83846%0.463SS*.  trans-67.9112.7169.4-84-94.2000109.6D286H284-D286 PolarHBondContact O-N 3.49Å
285M52.1Low63.2Low60 Ų6083.1 Ų83.130%0.29645%0.45SS..THydrogen-bonded Turntrans-45.9-24-166.8-60.1-81179.100117.5L178 H181 I270 E283 L289L178-M285 HydrophobicContact CD2-CE 3.84Å; L178-M285 HydrophobicContact CD2-SD 3.71Å; H181-M285 PolarHBondContact CE1-O 3.38Å; I270-M285 HydrophobicContact CG2-SD 3.91Å; E283-M285 PolarHBondContact O-N 3.25Å; M285-L289 WeakPolarHBondContact O-CD1 3.4Å; M285-L289 HydrophobicContact SD-CD1 4.37Å
286D51.6Low64.4Low99 Ų9981.5 Ų81.553%0.52944%0.435SS..THydrogen-bonded Turntrans-89-13.9-159.3-69.6-13.1000116.1H284H284-D286 PolarHBondContact O-N 3.49Å
287M47.7Very low65.9Low165 Ų16578.4 Ų78.481%0.81342%0.419SS*.THydrogen-bonded Turntrans-114.9-57.6-173.6-69.5-163.9-64.400115L289 G290M287-L289 VanDerWaalsContact C-N 3.28Å; M287-L289 PolarHBondContact O-N 2.88Å; M287-G290 PolarHBondContact O-N 3.38Å
288E56.4Low67.5Low103 Ų10376.4 Ų76.448%0.48141%0.406SS..THydrogen-bonded Turntrans-72.8-18.1-175.4-69.6-150.5-148.700113.8R261 K274 E283 G290R261-E288 PolarHBondContact NH2-O 2.73Å; K274-E288 WeakPolarHBondContact CE-OE2 3.2Å; K274-E288 IonicContact NZ-OE1 2.78Å; K274-E288 PolarHBondContact NZ-OE1 3.25Å; K274-E288 IonicContact NZ-OE2 2.73Å; K274-E288 PolarHBondContact NZ-OE2 3.22Å; E283-E288 WeakPolarHBondContact OE2-CB 3.38Å; E288-G290 PolarHBondContact O-N 3Å
289L63.6Low69.5Low14 Ų1468.6 Ų68.67%0.07336%0.364CS..THydrogen-bonded Turntrans-79.56.1175.7-74.9147.6000113.9H181 I270 M285 M287 T291H181-L289 HydrophobicContact CB-CD2 4.39Å; I270-L289 HydrophobicContact CD1-CD2 3.82Å; I270-L289 HydrophobicContact CG1-CD2 4.36Å; I270-L289 HydrophobicContact CG2-CD1 3.89Å; I270-L289 HydrophobicContact CG2-CD2 4.3Å; M285-L289 WeakPolarHBondContact O-CD1 3.4Å; M285-L289 HydrophobicContact SD-CD1 4.37Å; M287-L289 VanDerWaalsContact C-N 3.28Å; M287-L289 PolarHBondContact O-N 2.88Å; L289-T291 PolarHBondContact O-N 3.5Å; L289-T291 PolarHBondContact O-OG1 3.1Å; L289-T291 VanDerWaalsContact O-OG1 3.12Å
290G76.5Confident71.6Confident47 Ų4766.2 Ų66.249%0.48535%0.349SS..  trans61.812.3170.300000115.6M287 E288 P292M287-G290 PolarHBondContact O-N 3.38Å; E288-G290 PolarHBondContact O-N 3Å; G290-P292 WeakPolarHBondContact O-CD 3.26Å
291T86.4Confident73.4Confident13 Ų1367.9 Ų67.98%0.0836%0.355CS..  trans-81.6117.2-169.2-58.40000111I180 H181 V184 L289 K293 F296I180-T291 HydrophobicContact CG2-CG2 4.01Å; H181-T291 PolarHBondContact ND1-OG1 3.01Å; V184-T291 HydrophobicContact CG2-CG2 4.28Å; L289-T291 PolarHBondContact O-N 3.5Å; L289-T291 PolarHBondContact O-OG1 3.1Å; L289-T291 VanDerWaalsContact O-OG1 3.12Å; T291-K293 PolarHBondContact O-N 3.2Å; T291-F296 HydrophobicContact CG2-CB 4.09Å; T291-F296 HydrophobicContact CG2-CD2 4.21Å
292P88.9Confident75.2Confident20 Ų2065.8 Ų65.813%0.1335%0.346CS..  trans-66.8132.5-178.4-21.634.1000111.9G290 A294 I295 F296 L380 F383G290-P292 WeakPolarHBondContact O-CD 3.26Å; P292-A294 PolarHBondContact O-N 3.41Å; P292-I295 HydrophobicContact CB-CB 4.46Å; P292-I295 HydrophobicContact CB-CG1 4.48Å; P292-I295 HydrophobicContact CG-CD1 4.13Å; P292-I295 PolarHBondContact O-N 2.91Å; P292-F296 PolarHBondContact O-N 3.41Å; P292-L380 HydrophobicContact CB-CD1 3.69Å; P292-L380 HydrophobicContact CG-CD1 3.92Å; P292-F383 HydrophobicContact CG-CB 3.55Å; P292-F383 HydrophobicContact CG-CD1 4Å; P292-F383 HydrophobicContact CG-CD2 3.57Å; P292-F383 HydrophobicContact CG-CE2 4.32Å; P292-F383 HydrophobicContact CG-CG 3.39Å
293K87.4Confident77.2Confident166 Ų16661.3 Ų61.372%0.72232%0.318SS*.Hα-helixtrans-55.3-29.4-179.7-65.8-173.4177.6-175.90113.6T291 S297T291-K293 PolarHBondContact O-N 3.2Å; K293-S297 VanDerWaalsContact O-CB 3.24Å; K293-S297 WeakPolarHBondContact O-CB 3.32Å; K293-S297 PolarHBondContact O-N 3.06Å; K293-S297 PolarHBondContact O-OG 3.31Å
294A86.8Confident79.2Confident37 Ų3762.7 Ų62.731%0.30632%0.323SS..Hα-helixtrans-66.7-49.8174.200000112.3P292 S297 F298P292-A294 PolarHBondContact O-N 3.41Å; A294-S297 PolarHBondContact O-N 3.48Å; A294-F298 WeakPolarHBondContact O-CB 3.28Å; A294-F298 PolarHBondContact O-N 2.92Å
295I90.8Very high81.3Confident2 Ų256.9 Ų56.91%0.0130%0.296CS..Hα-helixtrans-62.9-46.1176.8-71.4179.5000110.4V184 P292 S297 F298 L299 L345 L380 F383V184-I295 HydrophobicContact CG2-CG2 3.89Å; P292-I295 HydrophobicContact CB-CB 4.46Å; P292-I295 HydrophobicContact CB-CG1 4.48Å; P292-I295 HydrophobicContact CG-CD1 4.13Å; P292-I295 PolarHBondContact O-N 2.91Å; I295-S297 PolarHBondContact O-N 2.77Å; I295-F298 PolarHBondContact O-N 2.92Å; I295-L299 HydrophobicContact CG2-CD1 3.97Å; I295-L299 PolarHBondContact O-N 3.39Å; I295-L345 HydrophobicContact CG2-CD2 3.77Å; I295-L380 HydrophobicContact CD1-CD1 3.98Å; I295-L380 HydrophobicContact CG1-CD1 4.08Å; I295-F383 HydrophobicContact CD1-CD1 3.85Å; I295-F383 HydrophobicContact CD1-CE1 3.33Å; I295-F383 HydrophobicContact CD1-CE2 4.38Å; I295-F383 HydrophobicContact CD1-CZ 3.65Å
296F91.7Very high83.1Confident45 Ų4555 Ų5520%0.19729%0.288CS..Hα-helixtrans-59.1-47.6177.1-171.2-87.3000111.5I180 H181 T291 P292 F298 H300I180-F296 HydrophobicContact CB-CD2 4.31Å; I180-F296 HydrophobicContact CD1-CD2 4.01Å; I180-F296 HydrophobicContact CD1-CE2 4.09Å; I180-F296 HydrophobicContact CG2-CD2 3.88Å; H181-F296 AromaticContact CE1-CD2 3.91Å; H181-F296 AromaticContact CE1-CE2 3.82Å; H181-F296 AromaticContact NE2-CE2 3.58Å; T291-F296 HydrophobicContact CG2-CB 4.09Å; T291-F296 HydrophobicContact CG2-CD2 4.21Å; P292-F296 PolarHBondContact O-N 3.41Å; F296-F298 PolarHBondContact O-N 2.9Å; F296-H300 HydrophobicContact CD1-CB 4.22Å; F296-H300 HydrophobicContact CE1-CB 4.05Å; F296-H300 WeakPolarHBondContact O-CB 3.38Å; F296-H300 PolarHBondContact O-N 3.07Å
297S90Very high85Confident69 Ų6951.5 Ų51.548%0.48327%0.268SS..Hα-helixtrans-63.4-39.8179.6-58.90000112.6K293 A294 I295 H301K293-S297 VanDerWaalsContact O-CB 3.24Å; K293-S297 WeakPolarHBondContact O-CB 3.32Å; K293-S297 PolarHBondContact O-N 3.06Å; K293-S297 PolarHBondContact O-OG 3.31Å; A294-S297 PolarHBondContact O-N 3.48Å; I295-S297 PolarHBondContact O-N 2.77Å; S297-H301 VanDerWaalsContact O-CB 3.27Å; S297-H301 WeakPolarHBondContact O-CB 3.36Å; S297-H301 PolarHBondContact O-N 2.87Å; S297-H301 VanDerWaalsContact O-N 3.13Å
298F89.1Confident87Confident11 Ų1152 Ų525%0.04826%0.261CS..Hα-helixtrans-62.9-58.3176.4176.4-97.2000111.5A294 I295 F296 H301 Q302 L345 I438 F439A294-F298 WeakPolarHBondContact O-CB 3.28Å; A294-F298 PolarHBondContact O-N 2.92Å; I295-F298 PolarHBondContact O-N 2.92Å; F296-F298 PolarHBondContact O-N 2.9Å; F298-H301 PolarHBondContact O-N 2.84Å; F298-Q302 HydrophobicContact CZ-CG 4.43Å; F298-Q302 WeakPolarHBondContact O-CG 3.3Å; F298-Q302 PolarHBondContact O-N 2.78Å; F298-L345 HydrophobicContact CD1-CB 4.48Å; F298-L345 HydrophobicContact CD1-CD1 4.22Å; F298-L345 HydrophobicContact CE1-CB 4.08Å; F298-L345 HydrophobicContact CE1-CD1 4.39Å; F298-I438 HydrophobicContact CE2-CG2 4.47Å; F298-F439 HydrophobicContact CB-CZ 3.99Å; F298-F439 HydrophobicContact CD2-CE1 4.36Å; F298-F439 HydrophobicContact CD2-CE2 4.22Å; F298-F439 AromaticContact CD2-CZ 3.85Å; F298-F439 HydrophobicContact CD2-CZ 3.85Å; F298-F439 HydrophobicContact CG-CZ 4.43Å
299L93.5Very high88.5Confident0 Ų049.6 Ų49.60%025%0.25CC..Hα-helixtrans-65.1-44.6-177.4-71.3175.2000111.4I180 F183 I295 H301 Q302 L303 P341 F342 L345I180-L299 HydrophobicContact CB-CD1 4.47Å; I180-L299 HydrophobicContact CD1-CB 3.75Å; I180-L299 HydrophobicContact CG1-CB 3.74Å; I180-L299 HydrophobicContact CG1-CD1 4.09Å; I180-L299 HydrophobicContact CG2-CD1 4.01Å; F183-L299 HydrophobicContact CD1-CD1 4.26Å; I295-L299 HydrophobicContact CG2-CD1 3.97Å; I295-L299 PolarHBondContact O-N 3.39Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 3.01Å; L299-Q302 PolarHBondContact O-N 3.31Å; L299-L303 HydrophobicContact CB-CD1 4.26Å; L299-L303 VanDerWaalsContact O-CB 3.25Å; L299-L303 WeakPolarHBondContact O-CB 3.4Å; L299-L303 WeakPolarHBondContact O-CG 3.39Å; L299-L303 PolarHBondContact O-N 3.43Å; L299-P341 HydrophobicContact CD2-CB 3.89Å; L299-P341 WeakPolarHBondContact CD2-O 3.31Å; L299-F342 HydrophobicContact CD1-CD1 4.04Å; L299-F342 HydrophobicContact CD1-CE1 3.84Å; L299-F342 HydrophobicContact CD2-CD1 4.18Å; L299-F342 HydrophobicContact CD2-CE1 4.38Å; L299-F342 HydrophobicContact CD2-CG 4.48Å; L299-L345 HydrophobicContact CD1-CD2 3.68Å; L299-L345 HydrophobicContact CD2-CB 4.3Å; L299-L345 HydrophobicContact CD2-CD2 4.09Å; L299-L345 HydrophobicContact CG-CD2 3.91Å
300H93.2Very high89.6Confident66 Ų6648.9 Ų48.931%0.30625%0.246SC..Hα-helixtrans-61.8-36.7179.8-176.1-103000112I180 F296 K304I180-H300 HydrophobicContact CD1-CB 3.86Å; F296-H300 HydrophobicContact CD1-CB 4.22Å; F296-H300 HydrophobicContact CE1-CB 4.05Å; F296-H300 WeakPolarHBondContact O-CB 3.38Å; F296-H300 PolarHBondContact O-N 3.07Å; H300-K304 WeakPolarHBondContact NE2-CE 3.49Å; H300-K304 WeakPolarHBondContact O-CB 3.45Å; H300-K304 WeakPolarHBondContact O-CG 3.27Å; H300-K304 PolarHBondContact O-N 3.09Å
301H92.2Very high90.1Very high94 Ų9448.9 Ų48.944%0.43524%0.235SC..Hα-helixtrans-62.6-52.9173.7-176.9-78.5000111.9S297 F298 L299 K304 E305S297-H301 VanDerWaalsContact O-CB 3.27Å; S297-H301 WeakPolarHBondContact O-CB 3.36Å; S297-H301 PolarHBondContact O-N 2.87Å; S297-H301 VanDerWaalsContact O-N 3.13Å; F298-H301 PolarHBondContact O-N 2.84Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 3.01Å; H301-K304 PolarHBondContact O-N 3.46Å; H301-E305 PolarHBondContact O-N 3.1Å
302Q91.9Very high90.1Very high50 Ų5053.3 Ų53.323%0.23426%0.262CS..Hα-helixtrans-63.5-44.7-178.3-61.9-66.1300111.9F298 L299 K304 E305 N306 P341F298-Q302 HydrophobicContact CZ-CG 4.43Å; F298-Q302 WeakPolarHBondContact O-CG 3.3Å; F298-Q302 PolarHBondContact O-N 2.78Å; L299-Q302 PolarHBondContact O-N 3.31Å; Q302-K304 PolarHBondContact O-N 2.96Å; Q302-E305 PolarHBondContact O-N 3.4Å; Q302-N306 PolarHBondContact O-N 3.27Å; Q302-P341 HydrophobicContact CB-CB 3.85Å; Q302-P341 HydrophobicContact CB-CG 3.8Å; Q302-P341 HydrophobicContact CG-CB 4.49Å
303L93.9Very high89.8Confident0 Ų053.6 Ų53.60%026%0.263CS..Hα-helixtrans-65.7-36177.9-67.4170.2000112.1L176 I180 L299 Q307 L338 P341 F342L176-L303 HydrophobicContact CB-CB 4.46Å; L176-L303 HydrophobicContact CD1-CB 4.26Å; I180-L303 HydrophobicContact CD1-CD1 4.2Å; I180-L303 HydrophobicContact CG1-CD1 3.96Å; L299-L303 HydrophobicContact CB-CD1 4.26Å; L299-L303 VanDerWaalsContact O-CB 3.25Å; L299-L303 WeakPolarHBondContact O-CB 3.4Å; L299-L303 WeakPolarHBondContact O-CG 3.39Å; L299-L303 PolarHBondContact O-N 3.43Å; L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 PolarHBondContact O-N 3.27Å; L303-L338 HydrophobicContact CD2-CD2 4.35Å; L303-L338 WeakPolarHBondContact CD2-O 3.35Å; L303-P341 HydrophobicContact CD2-CG 4.16Å; L303-F342 HydrophobicContact CD1-CE2 4.12Å; L303-F342 HydrophobicContact CD1-CZ 3.82Å; L303-F342 HydrophobicContact CD2-CE2 3.88Å; L303-F342 HydrophobicContact CD2-CZ 4.42Å
304K92.3Very high89.3Confident75 Ų7547 Ų4733%0.32624%0.235SC..Hα-helixtrans-69.3-37.3174.3-75.2-72.7166.2-166.90112.5H300 H301 Q302 Q307 R308H300-K304 WeakPolarHBondContact NE2-CE 3.49Å; H300-K304 WeakPolarHBondContact O-CB 3.45Å; H300-K304 WeakPolarHBondContact O-CG 3.27Å; H300-K304 PolarHBondContact O-N 3.09Å; H301-K304 PolarHBondContact O-N 3.46Å; Q302-K304 PolarHBondContact O-N 2.96Å; K304-Q307 PolarHBondContact O-N 2.98Å; K304-R308 WeakPolarHBondContact O-CG 3.37Å; K304-R308 PolarHBondContact O-N 3.05Å
305E91.4Very high88.8Confident58 Ų5849.5 Ų49.527%0.27124%0.243SC..Hα-helixtrans-68.3-46175.7-178.945.7-140.800111.6H301 Q302 Q307 R308 Q309H301-E305 PolarHBondContact O-N 3.1Å; Q302-E305 PolarHBondContact O-N 3.4Å; E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 2.97Å; E305-R308 WeakPolarHBondContact O-CA 3.23Å; E305-R308 WeakPolarHBondContact O-CB 3.43Å; E305-R308 PolarHBondContact O-N 3.35Å; E305-Q309 PolarHBondContact O-N 3.46Å; E305-Q309 PolarHBondContact OE1-NE2 3.01Å
306N90.2Very high87.8Confident22 Ų2251.9 Ų51.912%0.11826%0.26CS..Hα-helixtrans-61-37.1172.8-70.1-19.4000112Q302 R308 Q309 L310 R337 L338Q302-N306 PolarHBondContact O-N 3.27Å; N306-R308 PolarHBondContact O-N 2.78Å; N306-Q309 PolarHBondContact O-N 3Å; N306-L310 WeakPolarHBondContact O-CB 3.13Å; N306-L310 PolarHBondContact O-N 3.43Å; N306-R337 PolarHBondContact ND2-O 3.39Å; N306-L338 HydrophobicContact CB-CD2 3.79Å
307Q91.2Very high86Confident25 Ų2559 Ų5912%0.11729%0.291CS..Hα-helixtrans-63.8-35.6171.3178.5169.464.400112.4Y171 L176 L303 K304 E305 N311Y171-Q307 PolarHBondContact OH-NE2 3.5Å; L176-Q307 HydrophobicContact CD1-CB 3.81Å; L176-Q307 VanDerWaalsContact CD1-CD 3.45Å; L176-Q307 HydrophobicContact CD1-CG 4.16Å; L303-Q307 WeakPolarHBondContact O-CB 3.42Å; L303-Q307 PolarHBondContact O-N 3.27Å; K304-Q307 PolarHBondContact O-N 2.98Å; E305-Q307 VanDerWaalsContact C-N 3.29Å; E305-Q307 PolarHBondContact O-N 2.97Å; Q307-N311 WeakPolarHBondContact O-CB 3.42Å; Q307-N311 PolarHBondContact O-N 2.87Å; Q307-N311 PolarHBondContact O-ND2 2.7Å
308R90.3Very high84.2Confident176 Ų17663.5 Ų63.566%0.66430%0.302SS*.Hα-helixtrans-65.7-45.4173.8-72.7174.275.9155.35.3111K304 E305 N306 N311 V312K304-R308 WeakPolarHBondContact O-CG 3.37Å; K304-R308 PolarHBondContact O-N 3.05Å; E305-R308 WeakPolarHBondContact O-CA 3.23Å; E305-R308 WeakPolarHBondContact O-CB 3.43Å; E305-R308 PolarHBondContact O-N 3.35Å; N306-R308 PolarHBondContact O-N 2.78Å; R308-N311 PolarHBondContact O-N 3.35Å; R308-V312 WeakPolarHBondContact O-CG2 3.5Å; R308-V312 PolarHBondContact O-N 2.9Å
309Q87.1Confident82.6Confident51 Ų5167.2 Ų67.224%0.23832%0.322CS..Hα-helixtrans-61.6-44.7177.4-66.4174.727.500112.1E305 N306 N311 V312 T313E305-Q309 PolarHBondContact O-N 3.46Å; E305-Q309 PolarHBondContact OE1-NE2 3.01Å; N306-Q309 PolarHBondContact O-N 3Å; Q309-N311 PolarHBondContact O-N 3.3Å; Q309-V312 PolarHBondContact O-N 3.08Å; Q309-T313 PolarHBondContact O-N 3.46Å; Q309-T313 PolarHBondContact O-OG1 2.92Å
310L86.6Confident80.5Confident0 Ų076 Ų760%036%0.36CS..Hα-helixtrans-56.8-47.7173.4-176.770.2000111.4Y171 N306 V312 T313 M314 I331 C334 F335 L338Y171-L310 HydrophobicContact CE1-CD2 4.17Å; Y171-L310 HydrophobicContact CE2-CD2 4.22Å; N306-L310 WeakPolarHBondContact O-CB 3.13Å; N306-L310 PolarHBondContact O-N 3.43Å; L310-V312 PolarHBondContact O-N 3.02Å; L310-T313 PolarHBondContact O-N 2.85Å; L310-M314 HydrophobicContact CD1-CE 3.75Å; L310-M314 HydrophobicContact CD1-SD 4.44Å; L310-M314 HydrophobicContact CD2-CE 4.27Å; L310-M314 HydrophobicContact CG-CE 3.9Å; L310-M314 HydrophobicContact CG-SD 4.08Å; L310-M314 WeakPolarHBondContact O-CG 3.29Å; L310-M314 PolarHBondContact O-N 3.42Å; L310-I331 HydrophobicContact CD1-CG2 4.36Å; L310-C334 HydrophobicContact CB-CB 4.14Å; L310-C334 HydrophobicContact CD1-CB 3.46Å; L310-C334 VanDerWaalsContact CD1-CB 3.46Å; L310-C334 HydrophobicContact CG-CB 4.42Å; L310-F335 HydrophobicContact CD1-CD2 4.01Å; L310-F335 HydrophobicContact CD1-CE2 3.86Å; L310-F335 HydrophobicContact CD1-CG 4.46Å; L310-F335 HydrophobicContact CD1-CZ 4.18Å; L310-F335 HydrophobicContact CD2-CD1 4.45Å; L310-F335 HydrophobicContact CD2-CE1 3.98Å; L310-F335 HydrophobicContact CD2-CZ 4.01Å; L310-L338 HydrophobicContact CD2-CD1 4.33Å
311N87.2Confident78Confident47 Ų4781 Ų8125%0.25139%0.389SS..Hα-helixtrans-63.2-40.2176.5-83.4-79.1000112.5Q307 R308 Q309 M314 N315Q307-N311 WeakPolarHBondContact O-CB 3.42Å; Q307-N311 PolarHBondContact O-N 2.87Å; Q307-N311 PolarHBondContact O-ND2 2.7Å; R308-N311 PolarHBondContact O-N 3.35Å; Q309-N311 PolarHBondContact O-N 3.3Å; N311-M314 PolarHBondContact O-N 3.05Å; N311-N315 WeakPolarHBondContact O-CB 3.26Å; N311-N315 PolarHBondContact O-N 3.44Å; N311-N315 PolarHBondContact O-ND2 3.23Å
312V86.3Confident75.7Confident106 Ų10678.5 Ų78.564%0.64239%0.389SS*.Hα-helixtrans-63.8-43.3176.8169.50000110.9R308 Q309 L310 N315 S316R308-V312 WeakPolarHBondContact O-CG2 3.5Å; R308-V312 PolarHBondContact O-N 2.9Å; Q309-V312 PolarHBondContact O-N 3.08Å; L310-V312 PolarHBondContact O-N 3.02Å; V312-N315 PolarHBondContact O-N 3.13Å; V312-S316 PolarHBondContact O-N 3.17Å
313T83.2Confident73.3Confident26 Ų2681 Ų8116%0.1640%0.404CS..Hα-helixtrans-59.7-49.3176.5-48.90000110.8Q309 L310 N315 S316 E330 I331Q309-T313 PolarHBondContact O-N 3.46Å; Q309-T313 PolarHBondContact O-OG1 2.92Å; L310-T313 PolarHBondContact O-N 2.85Å; T313-N315 PolarHBondContact O-N 3.38Å; T313-S316 VanDerWaalsContact O-CB 3.3Å; T313-S316 WeakPolarHBondContact O-CB 3.4Å; T313-S316 PolarHBondContact O-N 3.48Å; T313-E330 HydrophobicContact CG2-CB 4.15Å; T313-I331 HydrophobicContact CG2-CG1 3.74Å
314M76.4Confident70.7Confident26 Ų2687.5 Ų87.513%0.12843%0.429CS..Hα-helixtrans-64.9-30.4179.4-72.9174169.700114.6L310 N311 I331 F335 F859L310-M314 HydrophobicContact CD1-CE 3.75Å; L310-M314 HydrophobicContact CD1-SD 4.44Å; L310-M314 HydrophobicContact CD2-CE 4.27Å; L310-M314 HydrophobicContact CG-CE 3.9Å; L310-M314 HydrophobicContact CG-SD 4.08Å; L310-M314 WeakPolarHBondContact O-CG 3.29Å; L310-M314 PolarHBondContact O-N 3.42Å; N311-M314 PolarHBondContact O-N 3.05Å; M314-I331 HydrophobicContact CE-CG2 4.08Å; M314-I331 HydrophobicContact CG-CD1 4.42Å; M314-F335 HydrophobicContact CE-CE2 3.84Å; M314-F335 HydrophobicContact CE-CZ 3.88Å; M314-F859 HydrophobicContact CE-CE1 3.83Å; M314-F859 HydrophobicContact CE-CZ 3.72Å; M314-F859 HydrophobicContact SD-CZ 4.43Å
315N76.8Confident68.3Low90 Ų9090.8 Ų90.848%0.48144%0.443SS..THydrogen-bonded Turntrans-94.55.9179.1-66.7-84.3000113N311 V312 T313 K317N311-N315 WeakPolarHBondContact O-CB 3.26Å; N311-N315 PolarHBondContact O-N 3.44Å; N311-N315 PolarHBondContact O-ND2 3.23Å; V312-N315 PolarHBondContact O-N 3.13Å; T313-N315 PolarHBondContact O-N 3.38Å; N315-K317 PolarHBondContact O-N 2.94Å
316S68.9Low66Low53 Ų5394.5 Ų94.537%0.37146%0.46SS..  trans-68119.7-179.7-173.70000111.3V312 T313 K318 L319V312-S316 PolarHBondContact O-N 3.17Å; T313-S316 VanDerWaalsContact O-CB 3.3Å; T313-S316 WeakPolarHBondContact O-CB 3.4Å; T313-S316 PolarHBondContact O-N 3.48Å; S316-K318 PolarHBondContact O-N 2.71Å; S316-L319 PolarHBondContact O-N 3.26Å
317K54.2Low63.8Low194 Ų19494.6 Ų94.684%0.84346%0.462SS*.G310 helixtrans-62.7-4.2-175.1-66.7-178.1179.5177.20114.9N315 L319 K320N315-K317 PolarHBondContact O-N 2.94Å; K317-L319 PolarHBondContact O-N 2.7Å; K317-K320 PolarHBondContact O-N 3.29Å
318K53Low62.5Low163 Ų16395.1 Ų95.171%0.70947%0.465SS*.G310 helixtrans-59.3-22.4174.8-74.6-170.8173.8-175.10114.1S316 K320 N321 G322S316-K318 PolarHBondContact O-N 2.71Å; K318-K320 PolarHBondContact O-N 3.38Å; K318-N321 PolarHBondContact O-N 2.92Å; K318-G322 PolarHBondContact O-N 2.95Å
319L54.7Low61.5Low89 Ų8987.2 Ų87.247%0.46644%0.439SS..G310 helixtrans-51.8-23176.8-97.773.2000114.4S316 K317 V327S316-L319 PolarHBondContact O-N 3.26Å; K317-L319 PolarHBondContact O-N 2.7Å; L319-V327 HydrophobicContact CD1-CG1 3.97Å
320K48.7Very low60.9Low186 Ų18689.8 Ų89.881%0.80945%0.45SS*.G310 helixtrans-75.6-17.6-176.2-74.4-160.5169.6-161.90116.1K317 K318K317-K320 PolarHBondContact O-N 3.29Å; K318-K320 PolarHBondContact O-N 3.38Å
321N41.4Very low60.5Low170 Ų17091.3 Ų91.391%0.90946%0.458SS*.THydrogen-bonded Turntrans-163.625.9-170.5-108.9-2000114.8K318K318-N321 PolarHBondContact O-N 2.92Å
322G44.9Very low59.9Low42 Ų4289.8 Ų89.843%0.43345%0.45SS..SBendtrans-141.9160.2-175.400000114.4K318 W324K318-G322 PolarHBondContact O-N 2.95Å; G322-W324 PolarHBondContact O-N 2.9Å
323D41.4Very low59.6Low102 Ų10289 Ų8955%0.54544%0.435SS..  trans-52.1100.1-172.3-80.5-60.6000114.5K325 Q326 V327D323-K325 PolarHBondContact O-N 2.86Å; D323-K325 VanDerWaalsContact O-N 3.1Å; D323-Q326 HydrophobicContact CB-CG 4.22Å; D323-Q326 PolarHBondContact O-N 2.84Å; D323-V327 PolarHBondContact O-N 2.92Å
324W39.4Very low59.7Low137 Ų13788.2 Ų88.252%0.51943%0.431SS..Hα-helixtrans-55.2-28173.552.5-95.2000112.7G322 Q326 V327 N328G322-W324 PolarHBondContact O-N 2.9Å; W324-Q326 VanDerWaalsContact C-N 3.31Å; W324-Q326 PolarHBondContact O-N 2.86Å; W324-V327 PolarHBondContact O-N 2.73Å; W324-N328 WeakPolarHBondContact O-CB 3.08Å; W324-N328 VanDerWaalsContact O-CG 3.24Å; W324-N328 PolarHBondContact O-N 2.85Å
325K40.9Very low60.1Low143 Ų14387.2 Ų87.262%0.62243%0.426SS*.Hα-helixtrans-57.5-40.2173.6-65.4178-179.1173.60112.5D323 G329D323-K325 PolarHBondContact O-N 2.86Å; D323-K325 VanDerWaalsContact O-N 3.1Å; K325-G329 PolarHBondContact O-N 2.78Å
326Q44.2Very low60.5Low136 Ų13685.8 Ų85.864%0.63642%0.416SS*.Hα-helixtrans-75.1-45.1176.8-63.3-172.911.100111.2D323 W324 N328 G329 E330D323-Q326 HydrophobicContact CB-CG 4.22Å; D323-Q326 PolarHBondContact O-N 2.84Å; W324-Q326 VanDerWaalsContact C-N 3.31Å; W324-Q326 PolarHBondContact O-N 2.86Å; Q326-N328 VanDerWaalsContact C-N 3.3Å; Q326-N328 PolarHBondContact O-N 2.85Å; Q326-G329 WeakPolarHBondContact O-CA 3.47Å; Q326-G329 PolarHBondContact O-N 2.67Å; Q326-E330 PolarHBondContact O-N 2.71Å
327V42.8Very low61.4Low25 Ų2588.9 Ų88.915%0.15242%0.42CS..Hα-helixtrans-58.3-42.2-179.3-179.80000111.4L319 D323 W324 G329 E330 I331L319-V327 HydrophobicContact CD1-CG1 3.97Å; D323-V327 PolarHBondContact O-N 2.92Å; W324-V327 PolarHBondContact O-N 2.73Å; V327-G329 PolarHBondContact O-N 2.79Å; V327-E330 PolarHBondContact O-N 2.82Å; V327-I331 HydrophobicContact CG1-CD1 3.86Å; V327-I331 HydrophobicContact CG1-CG1 4.43Å; V327-I331 WeakPolarHBondContact O-CG1 3.39Å; V327-I331 PolarHBondContact O-N 3.4Å
328N63.2Low63.2Low36 Ų3679.7 Ų79.719%0.19338%0.38CS..Hα-helixtrans-59.1-46.7173.5-74-13000111.5W324 Q326 E330 I331 L332 Y937W324-N328 WeakPolarHBondContact O-CB 3.08Å; W324-N328 VanDerWaalsContact O-CG 3.24Å; W324-N328 PolarHBondContact O-N 2.85Å; Q326-N328 VanDerWaalsContact C-N 3.3Å; Q326-N328 PolarHBondContact O-N 2.85Å; N328-E330 VanDerWaalsContact C-N 3.32Å; N328-E330 PolarHBondContact O-N 2.74Å; N328-I331 PolarHBondContact O-N 3.11Å; N328-L332 VanDerWaalsContact O-CB 3.24Å; N328-L332 WeakPolarHBondContact O-CB 3.42Å; N328-L332 VanDerWaalsContact O-CD1 3.27Å; N328-L332 WeakPolarHBondContact O-CD1 3.27Å; N328-L332 WeakPolarHBondContact O-CG 3.37Å; N328-L332 PolarHBondContact O-N 3.4Å; N328-Y937 HydrophobicContact CB-CD2 4.34Å; N328-Y937 HydrophobicContact CB-CE2 3.73Å; N328-Y937 WeakPolarHBondContact ND2-CE2 3.48Å; N328-Y937 PolarHBondContact ND2-OH 3.02Å
329G70.9Confident65Low10 Ų1072.3 Ų72.310%0.10335%0.348CS..Hα-helixtrans-62.2-33.2177.200000114.2K325 Q326 V327 R333 S934K325-G329 PolarHBondContact O-N 2.78Å; Q326-G329 WeakPolarHBondContact O-CA 3.47Å; Q326-G329 PolarHBondContact O-N 2.67Å; V327-G329 PolarHBondContact O-N 2.79Å; G329-R333 WeakPolarHBondContact O-CG 3.21Å; G329-R333 PolarHBondContact O-N 3.49Å; G329-S934 PolarHBondContact O-OG 2.94Å
330E74.2Confident66.7Low104 Ų10473 Ų7349%0.48635%0.349SS..Hα-helixtrans-75.1-46.2175.7-69.4-170.6150.700112.8T313 Q326 V327 N328 L332 R333 C334T313-E330 HydrophobicContact CG2-CB 4.15Å; Q326-E330 PolarHBondContact O-N 2.71Å; V327-E330 PolarHBondContact O-N 2.82Å; N328-E330 VanDerWaalsContact C-N 3.32Å; N328-E330 PolarHBondContact O-N 2.74Å; E330-L332 VanDerWaalsContact C-N 3.26Å; E330-L332 PolarHBondContact O-N 2.84Å; E330-R333 WeakPolarHBondContact O-CB 3.08Å; E330-R333 PolarHBondContact O-N 2.88Å; E330-C334 PolarHBondContact O-N 2.93Å; E330-C334 PolarHBondContact O-SG 2.99Å
331I77.3Confident68.9Low33 Ų3364.4 Ų64.417%0.16931%0.313CS..Hα-helixtrans-59.1-42.4176-69.9171.6000110.2L310 T313 M314 V327 N328 C334 F335L310-I331 HydrophobicContact CD1-CG2 4.36Å; T313-I331 HydrophobicContact CG2-CG1 3.74Å; M314-I331 HydrophobicContact CE-CG2 4.08Å; M314-I331 HydrophobicContact CG-CD1 4.42Å; V327-I331 HydrophobicContact CG1-CD1 3.86Å; V327-I331 HydrophobicContact CG1-CG1 4.43Å; V327-I331 WeakPolarHBondContact O-CG1 3.39Å; V327-I331 PolarHBondContact O-N 3.4Å; N328-I331 PolarHBondContact O-N 3.11Å; I331-C334 WeakPolarHBondContact O-CA 3.24Å; I331-C334 WeakPolarHBondContact O-CB 3.27Å; I331-C334 PolarHBondContact O-N 3.38Å; I331-F335 HydrophobicContact CG2-CD2 3.95Å; I331-F335 HydrophobicContact CG2-CE2 3.72Å; I331-F335 WeakPolarHBondContact O-CD2 3.32Å; I331-F335 PolarHBondContact O-N 3.46Å; I331-F335 VanDerWaalsContact O-N 3.1Å
332L75.7Confident71.4Confident14 Ų1456.4 Ų56.47%0.07327%0.27CS..Hα-helixtrans-66.9-37.8-179.4-70.4166.2000111.4L164 I168 N328 E330 C334 F335 E336 Y937L164-L332 HydrophobicContact CD2-CB 3.72Å; L164-L332 HydrophobicContact CD2-CD2 3.69Å; L164-L332 HydrophobicContact CD2-CG 4.26Å; L164-L332 HydrophobicContact CG-CD2 3.98Å; I168-L332 HydrophobicContact CD1-CD2 3.82Å; N328-L332 VanDerWaalsContact O-CB 3.24Å; N328-L332 WeakPolarHBondContact O-CB 3.42Å; N328-L332 VanDerWaalsContact O-CD1 3.27Å; N328-L332 WeakPolarHBondContact O-CD1 3.27Å; N328-L332 WeakPolarHBondContact O-CG 3.37Å; N328-L332 PolarHBondContact O-N 3.4Å; E330-L332 VanDerWaalsContact C-N 3.26Å; E330-L332 PolarHBondContact O-N 2.84Å; L332-C334 VanDerWaalsContact C-N 3.33Å; L332-C334 PolarHBondContact O-N 2.97Å; L332-F335 PolarHBondContact O-N 3.26Å; L332-E336 WeakPolarHBondContact O-CG 3.21Å; L332-E336 PolarHBondContact O-N 3.17Å; L332-Y937 HydrophobicContact CD1-CE2 4.34Å
333R79.7Confident73.7Confident89 Ų8955.7 Ų55.734%0.33626%0.255SS..Hα-helixtrans-61.2-36167.2-75.2170.1-176.6161.56113.6G329 E330 F335 E336 R337 R933 S934G329-R333 WeakPolarHBondContact O-CG 3.21Å; G329-R333 PolarHBondContact O-N 3.49Å; E330-R333 WeakPolarHBondContact O-CB 3.08Å; E330-R333 PolarHBondContact O-N 2.88Å; R333-F335 VanDerWaalsContact C-N 3.31Å; R333-E336 WeakPolarHBondContact CA-OE2 3.46Å; R333-E336 PolarHBondContact O-N 3.31Å; R333-R337 VanDerWaalsContact O-CG 3.3Å; R333-R337 WeakPolarHBondContact O-CG 3.46Å; R333-R337 PolarHBondContact O-N 2.93Å; R333-R933 PolarHBondContact NE-O 3.29Å; R333-R933 PolarHBondContact NH2-O 3.1Å; R333-S934 WeakPolarHBondContact CG-OG 3.28Å; R333-S934 PolarHBondContact NE-OG 3.22Å
334C84.4Confident76.1Confident10 Ų1052 Ų527%0.06823%0.234CC..Hα-helixtrans-68.2-30.4176.9-72.90000112.3L310 E330 I331 L332L310-C334 HydrophobicContact CB-CB 4.14Å; L310-C334 HydrophobicContact CD1-CB 3.46Å; L310-C334 VanDerWaalsContact CD1-CB 3.46Å; L310-C334 HydrophobicContact CG-CB 4.42Å; E330-C334 PolarHBondContact O-N 2.93Å; E330-C334 PolarHBondContact O-SG 2.99Å; I331-C334 WeakPolarHBondContact O-CA 3.24Å; I331-C334 WeakPolarHBondContact O-CB 3.27Å; I331-C334 PolarHBondContact O-N 3.38Å; L332-C334 VanDerWaalsContact C-N 3.33Å; L332-C334 PolarHBondContact O-N 2.97Å
335F86Confident78.7Confident5 Ų545.4 Ų45.42%0.02221%0.209CC..Hα-helixtrans-73.7-42.4169.5-77.5-74.7000112.5L164 V167 I168 Y171 L310 M314 I331 L332 R333 R337 L338L164-F335 HydrophobicContact CD1-CB 3.55Å; V167-F335 HydrophobicContact CG1-CB 4.5Å; I168-F335 HydrophobicContact CB-CE1 4.44Å; I168-F335 HydrophobicContact CD1-CD2 4.14Å; I168-F335 HydrophobicContact CD1-CE2 4.3Å; I168-F335 HydrophobicContact CD1-CG 4.46Å; I168-F335 HydrophobicContact CG1-CB 4.4Å; I168-F335 HydrophobicContact CG1-CD1 3.76Å; I168-F335 HydrophobicContact CG1-CD2 3.76Å; I168-F335 HydrophobicContact CG1-CE1 3.86Å; I168-F335 HydrophobicContact CG1-CE2 3.85Å; I168-F335 HydrophobicContact CG1-CG 3.72Å; I168-F335 HydrophobicContact CG1-CZ 3.9Å; I168-F335 HydrophobicContact CG2-CZ 4.45Å; Y171-F335 AromaticContact CD1-CE1 3.84Å; Y171-F335 HydrophobicContact CD1-CE1 3.84Å; Y171-F335 HydrophobicContact CD1-CZ 4.39Å; Y171-F335 HydrophobicContact CE1-CE1 4.47Å; Y171-F335 AromaticContact CG-CE1 3.88Å; Y171-F335 HydrophobicContact CG-CE1 3.88Å; L310-F335 HydrophobicContact CD1-CD2 4.01Å; L310-F335 HydrophobicContact CD1-CE2 3.86Å; L310-F335 HydrophobicContact CD1-CG 4.46Å; L310-F335 HydrophobicContact CD1-CZ 4.18Å; L310-F335 HydrophobicContact CD2-CD1 4.45Å; L310-F335 HydrophobicContact CD2-CE1 3.98Å; L310-F335 HydrophobicContact CD2-CZ 4.01Å; M314-F335 HydrophobicContact CE-CE2 3.84Å; M314-F335 HydrophobicContact CE-CZ 3.88Å; I331-F335 HydrophobicContact CG2-CD2 3.95Å; I331-F335 HydrophobicContact CG2-CE2 3.72Å; I331-F335 WeakPolarHBondContact O-CD2 3.32Å; I331-F335 PolarHBondContact O-N 3.46Å; I331-F335 VanDerWaalsContact O-N 3.1Å; L332-F335 PolarHBondContact O-N 3.26Å; R333-F335 VanDerWaalsContact C-N 3.31Å; F335-R337 PolarHBondContact O-N 2.97Å; F335-L338 HydrophobicContact CD1-CD1 3.95Å; F335-L338 HydrophobicContact CE1-CD1 4.46Å; F335-L338 WeakPolarHBondContact O-CB 3.47Å; F335-L338 PolarHBondContact O-N 3.49Å
336E84Confident81.2Confident60 Ų6038.7 Ų38.728%0.2818%0.18SC..Hα-helixtrans-52.6-44.7172.2-68.9163-175.500110.7L164 L332 R333 L338 T339L164-E336 HydrophobicContact CD1-CG 3.83Å; L164-E336 HydrophobicContact CD2-CG 3.92Å; L332-E336 WeakPolarHBondContact O-CG 3.21Å; L332-E336 PolarHBondContact O-N 3.17Å; R333-E336 WeakPolarHBondContact CA-OE2 3.46Å; R333-E336 PolarHBondContact O-N 3.31Å; E336-L338 VanDerWaalsContact C-N 3.26Å; E336-L338 PolarHBondContact O-N 3.36Å; E336-T339 PolarHBondContact O-N 2.93Å; E336-T339 PolarHBondContact O-OG1 3.45Å
337R88.3Confident83.5Confident119 Ų11932.3 Ų32.345%0.44915%0.15SC..Hα-helixtrans-61.8-20.2176.3-74.6175.7-172.6-173.24.6115.2N306 R333 F335 T339 P341N306-R337 PolarHBondContact ND2-O 3.39Å; R333-R337 VanDerWaalsContact O-CG 3.3Å; R333-R337 WeakPolarHBondContact O-CG 3.46Å; R333-R337 PolarHBondContact O-N 2.93Å; F335-R337 PolarHBondContact O-N 2.97Å; R337-T339 VanDerWaalsContact C-N 3.26Å; R337-T339 PolarHBondContact O-N 3.02Å; R337-P341 WeakPolarHBondContact O-CD 3.35Å
338L91.5Very high85.7Confident0 Ų031.6 Ų31.60%015%0.146CC..Hα-helixtrans-71.4-21.3178-72.1171.4000112.9Y171 W179 L303 N306 L310 F335 E336Y171-L338 HydrophobicContact CD2-CD1 3.72Å; Y171-L338 HydrophobicContact CE2-CD1 4Å; Y171-L338 HydrophobicContact CG-CD1 4.49Å; W179-L338 HydrophobicContact CH2-CB 4.12Å; W179-L338 HydrophobicContact CH2-CD1 4.32Å; W179-L338 HydrophobicContact CZ3-CB 4Å; L303-L338 HydrophobicContact CD2-CD2 4.35Å; L303-L338 WeakPolarHBondContact CD2-O 3.35Å; N306-L338 HydrophobicContact CB-CD2 3.79Å; L310-L338 HydrophobicContact CD2-CD1 4.33Å; F335-L338 HydrophobicContact CD1-CD1 3.95Å; F335-L338 HydrophobicContact CE1-CD1 4.46Å; F335-L338 WeakPolarHBondContact O-CB 3.47Å; F335-L338 PolarHBondContact O-N 3.49Å; E336-L338 VanDerWaalsContact C-N 3.26Å; E336-L338 PolarHBondContact O-N 3.36Å
339T91Very high87Confident8 Ų830 Ų305%0.04914%0.137CC..Hα-helixtrans-88.2-30.5178.865.30000112.9H162 V167 L212 E336 R337 P341 F342H162-T339 HydrophobicContact CB-CG2 4.35Å; H162-T339 PolarHBondContact CD2-OG1 2.73Å; H162-T339 WeakPolarHBondContact NE2-CB 3.39Å; H162-T339 PolarHBondContact NE2-OG1 3.03Å; V167-T339 HydrophobicContact CG1-CG2 4.22Å; V167-T339 HydrophobicContact CG2-CG2 3.93Å; L212-T339 HydrophobicContact CD2-CG2 3.86Å; E336-T339 PolarHBondContact O-N 2.93Å; E336-T339 PolarHBondContact O-OG1 3.45Å; R337-T339 VanDerWaalsContact C-N 3.26Å; R337-T339 PolarHBondContact O-N 3.02Å; T339-P341 VanDerWaalsContact C-N 3.35Å; T339-P341 VanDerWaalsContact O-N 3.16Å; T339-F342 WeakPolarHBondContact O-CB 3.37Å; T339-F342 WeakPolarHBondContact O-CD2 3.38Å; T339-F342 PolarHBondContact O-N 3.14Å
340H91Very high88.1Confident103 Ų10329.7 Ų29.748%0.47713%0.133SC..Hα-helixtrans-53.2-34.2-177-163.1-59.2000115.7F342 F343 E344H340-F342 VanDerWaalsContact C-N 3.25Å; H340-F342 PolarHBondContact O-N 3.21Å; H340-F343 PolarHBondContact O-N 3.29Å; H340-E344 VanDerWaalsContact CE1-CG 3.49Å; H340-E344 WeakPolarHBondContact CE1-CG 3.39Å; H340-E344 IonicContact CE1-OE1 3.87Å; H340-E344 PolarHBondContact CE1-OE1 3.05Å; H340-E344 VanDerWaalsContact ND1-CG 3.31Å; H340-E344 WeakPolarHBondContact ND1-CG 3.47Å; H340-E344 WeakPolarHBondContact O-CG 3.4Å; H340-E344 PolarHBondContact O-N 2.87Å
341P94.1Very high88.8Confident7 Ų725 Ų255%0.04511%0.112CC..Hα-helixtrans-62.6-27.3175.9-26.136.9000114.5L299 Q302 L303 R337 T339 L345L299-P341 HydrophobicContact CD2-CB 3.89Å; L299-P341 WeakPolarHBondContact CD2-O 3.31Å; Q302-P341 HydrophobicContact CB-CB 3.85Å; Q302-P341 HydrophobicContact CB-CG 3.8Å; Q302-P341 HydrophobicContact CG-CB 4.49Å; L303-P341 HydrophobicContact CD2-CG 4.16Å; R337-P341 WeakPolarHBondContact O-CD 3.35Å; T339-P341 VanDerWaalsContact C-N 3.35Å; T339-P341 VanDerWaalsContact O-N 3.16Å; P341-L345 WeakPolarHBondContact O-CB 3.3Å; P341-L345 PolarHBondContact O-N 2.98Å
342F94.7Very high89.3Confident1 Ų123.4 Ų23.40%0.00410%0.104CC..Hα-helixtrans-74.9-46.2178.1-61.8-86.2000110.9W179 F183 L212 L299 L303 T339 H340 E344 L345 I346W179-F342 HydrophobicContact CB-CZ 4.04Å; W179-F342 AromaticContact CE3-CE2 3.87Å; W179-F342 HydrophobicContact CE3-CE2 3.87Å; W179-F342 HydrophobicContact CE3-CZ 4.13Å; W179-F342 HydrophobicContact CZ3-CE2 4.45Å; F183-F342 HydrophobicContact CB-CD1 3.93Å; F183-F342 HydrophobicContact CB-CE1 3.73Å; F183-F342 AromaticContact CD1-CD1 3.68Å; F183-F342 HydrophobicContact CD1-CD1 3.68Å; F183-F342 HydrophobicContact CD1-CE1 4.07Å; F183-F342 HydrophobicContact CD2-CB 4.4Å; F183-F342 AromaticContact CD2-CD1 3.57Å; F183-F342 HydrophobicContact CD2-CD1 3.57Å; F183-F342 HydrophobicContact CD2-CE1 4.25Å; F183-F342 HydrophobicContact CD2-CG 4.33Å; F183-F342 HydrophobicContact CE1-CD1 4.02Å; F183-F342 HydrophobicContact CE2-CB 4.04Å; F183-F342 AromaticContact CE2-CD1 3.93Å; F183-F342 HydrophobicContact CE2-CD1 3.93Å; F183-F342 HydrophobicContact CE2-CG 4.43Å; F183-F342 AromaticContact CG-CD1 3.43Å; F183-F342 HydrophobicContact CG-CD1 3.43Å; F183-F342 VanDerWaalsContact CG-CD1 3.43Å; F183-F342 AromaticContact CG-CE1 3.76Å; F183-F342 HydrophobicContact CG-CE1 3.76Å; F183-F342 HydrophobicContact CZ-CB 4.3Å; F183-F342 HydrophobicContact CZ-CD1 4.14Å; L212-F342 HydrophobicContact CB-CG 4.46Å; L212-F342 HydrophobicContact CD1-CD2 4.35Å; L212-F342 HydrophobicContact CD1-CE1 4.37Å; L212-F342 HydrophobicContact CD1-CE2 4.17Å; L212-F342 HydrophobicContact CD1-CZ 4.18Å; L212-F342 HydrophobicContact CD2-CD2 3.86Å; L212-F342 HydrophobicContact CD2-CE2 4.24Å; L212-F342 HydrophobicContact CD2-CG 4.32Å; L299-F342 HydrophobicContact CD1-CD1 4.04Å; L299-F342 HydrophobicContact CD1-CE1 3.84Å; L299-F342 HydrophobicContact CD2-CD1 4.18Å; L299-F342 HydrophobicContact CD2-CE1 4.38Å; L299-F342 HydrophobicContact CD2-CG 4.48Å; L303-F342 HydrophobicContact CD1-CE2 4.12Å; L303-F342 HydrophobicContact CD1-CZ 3.82Å; L303-F342 HydrophobicContact CD2-CE2 3.88Å; L303-F342 HydrophobicContact CD2-CZ 4.42Å; T339-F342 WeakPolarHBondContact O-CB 3.37Å; T339-F342 WeakPolarHBondContact O-CD2 3.38Å; T339-F342 PolarHBondContact O-N 3.14Å; H340-F342 VanDerWaalsContact C-N 3.25Å; H340-F342 PolarHBondContact O-N 3.21Å; F342-E344 PolarHBondContact O-N 3.04Å; F342-L345 WeakPolarHBondContact O-CB 3.31Å; F342-L345 PolarHBondContact O-N 3.26Å; F342-L345 VanDerWaalsContact O-N 3.16Å; F342-I346 WeakPolarHBondContact O-CG1 3.42Å; F342-I346 PolarHBondContact O-N 2.65Å
343F92.9Very high90Very high28 Ų2822.9 Ų22.912%0.12310%0.102CC..Hα-helixtrans-56.7-47.8171175.4-97.7000111.6Y214 H340 L345 I346 V347 L411 F412 R415Y214-F343 AromaticContact CD1-CD2 4Å; Y214-F343 HydrophobicContact CD1-CD2 4Å; Y214-F343 HydrophobicContact CD1-CE2 4.34Å; Y214-F343 HydrophobicContact CE1-CD2 4.19Å; Y214-F343 HydrophobicContact CE1-CE2 4.09Å; H340-F343 PolarHBondContact O-N 3.29Å; F343-L345 VanDerWaalsContact C-N 3.31Å; F343-L345 PolarHBondContact O-N 3.13Å; F343-I346 PolarHBondContact O-N 3.36Å; F343-I346 VanDerWaalsContact O-N 3.16Å; F343-V347 HydrophobicContact CD1-CG2 4.16Å; F343-V347 HydrophobicContact CD2-CG2 4.48Å; F343-V347 HydrophobicContact CE1-CG2 3.77Å; F343-V347 HydrophobicContact CE2-CG2 4.11Å; F343-V347 HydrophobicContact CZ-CG2 3.74Å; F343-V347 WeakPolarHBondContact O-CG2 3.42Å; F343-V347 PolarHBondContact O-N 3.41Å; F343-L411 HydrophobicContact CZ-CB 4.22Å; F343-F412 HydrophobicContact CE2-CB 4.31Å; F343-F412 HydrophobicContact CZ-CB 4.49Å; F343-R415 HydrophobicContact CE1-CB 4.13Å; F343-R415 HydrophobicContact CE1-CG 4.1Å; F343-R415 HydrophobicContact CZ-CB 4.33Å
344E91.9Very high90.4Very high23 Ų2321 Ų2111%0.10710%0.1CC..Hα-helixtrans-59.8-39.8175.9-72.9-70.9119.300112.1H340 F342 V347 N348 R415H340-E344 VanDerWaalsContact CE1-CG 3.49Å; H340-E344 WeakPolarHBondContact CE1-CG 3.39Å; H340-E344 IonicContact CE1-OE1 3.87Å; H340-E344 PolarHBondContact CE1-OE1 3.05Å; H340-E344 VanDerWaalsContact ND1-CG 3.31Å; H340-E344 WeakPolarHBondContact ND1-CG 3.47Å; H340-E344 WeakPolarHBondContact O-CG 3.4Å; H340-E344 PolarHBondContact O-N 2.87Å; F342-E344 PolarHBondContact O-N 3.04Å; E344-V347 PolarHBondContact O-N 2.69Å; E344-N348 WeakPolarHBondContact O-CB 3.31Å; E344-N348 PolarHBondContact O-N 3.15Å; E344-N348 PolarHBondContact O-ND2 3.22Å; E344-R415 IonicContact OE1-CZ 3.07Å; E344-R415 IonicContact OE1-NE 2.76Å; E344-R415 PolarHBondContact OE1-NE 3.04Å; E344-R415 IonicContact OE1-NH2 2.93Å; E344-R415 IonicContact OE2-CZ 3.11Å; E344-R415 IonicContact OE2-NE 3.82Å; E344-R415 PolarHBondContact OE2-NE 3.12Å; E344-R415 IonicContact OE2-NH2 2.73Å; E344-R415 PolarHBondContact OE2-NH2 2.83Å
345L93.3Very high90.4Very high0 Ų025 Ų250%012%0.118CC..Hα-helixtrans-63.7-42.1175.718060.6000111.6F183 I295 F298 L299 P341 F342 F343 N348 L349F183-L345 HydrophobicContact CE1-CD2 3.9Å; I295-L345 HydrophobicContact CG2-CD2 3.77Å; F298-L345 HydrophobicContact CD1-CB 4.48Å; F298-L345 HydrophobicContact CD1-CD1 4.22Å; F298-L345 HydrophobicContact CE1-CB 4.08Å; F298-L345 HydrophobicContact CE1-CD1 4.39Å; L299-L345 HydrophobicContact CD1-CD2 3.68Å; L299-L345 HydrophobicContact CD2-CB 4.3Å; L299-L345 HydrophobicContact CD2-CD2 4.09Å; L299-L345 HydrophobicContact CG-CD2 3.91Å; P341-L345 WeakPolarHBondContact O-CB 3.3Å; P341-L345 PolarHBondContact O-N 2.98Å; F342-L345 WeakPolarHBondContact O-CB 3.31Å; F342-L345 PolarHBondContact O-N 3.26Å; F342-L345 VanDerWaalsContact O-N 3.16Å; F343-L345 VanDerWaalsContact C-N 3.31Å; F343-L345 PolarHBondContact O-N 3.13Å; L345-N348 PolarHBondContact O-N 3.48Å; L345-L349 HydrophobicContact CD1-CD1 3.89Å; L345-L349 HydrophobicContact CD1-CG 4Å; L345-L349 HydrophobicContact CD2-CD1 4.49Å; L345-L349 HydrophobicContact CG-CD1 3.8Å; L345-L349 HydrophobicContact CG-CG 4.34Å; L345-L349 WeakPolarHBondContact O-CB 3.11Å; L345-L349 VanDerWaalsContact O-CG 3.26Å; L345-L349 WeakPolarHBondContact O-CG 3.37Å; L345-L349 PolarHBondContact O-N 3.33Å
346I94.1Very high90.5Very high2 Ų225.1 Ų25.11%0.0112%0.119CC..Hα-helixtrans-62.6-45.3176.7-67.3158.7000111F183 L213 I216 F342 F343 N348 L349 L350 F412F183-I346 HydrophobicContact CE2-CD1 4.05Å; F183-I346 HydrophobicContact CZ-CD1 4Å; F183-I346 HydrophobicContact CZ-CG1 3.95Å; L213-I346 VanDerWaalsContact O-CD1 3.26Å; L213-I346 WeakPolarHBondContact O-CD1 3.46Å; I216-I346 HydrophobicContact CD1-CB 4.42Å; I216-I346 HydrophobicContact CD1-CD1 4.08Å; I216-I346 HydrophobicContact CD1-CG1 3.95Å; I216-I346 HydrophobicContact CD1-CG2 3.57Å; I216-I346 HydrophobicContact CG1-CG2 4.08Å; F342-I346 WeakPolarHBondContact O-CG1 3.42Å; F342-I346 PolarHBondContact O-N 2.65Å; F343-I346 PolarHBondContact O-N 3.36Å; F343-I346 VanDerWaalsContact O-N 3.16Å; I346-N348 VanDerWaalsContact C-N 3.32Å; I346-N348 PolarHBondContact O-N 3.47Å; I346-L349 PolarHBondContact O-N 2.92Å; I346-L350 HydrophobicContact CG2-CD1 4.1Å; I346-L350 WeakPolarHBondContact O-CB 3.26Å; I346-L350 PolarHBondContact O-N 3.39Å; I346-F412 HydrophobicContact CG2-CD2 4.37Å; I346-F412 HydrophobicContact CG2-CE2 4.02Å
347V92.5Very high90.6Very high2 Ų224.2 Ų24.21%0.01212%0.116CC..Hα-helixtrans-63.5-37.7175.9-178.60000111.3F343 E344 G351 F412 R415 A416 L419F343-V347 HydrophobicContact CD1-CG2 4.16Å; F343-V347 HydrophobicContact CD2-CG2 4.48Å; F343-V347 HydrophobicContact CE1-CG2 3.77Å; F343-V347 HydrophobicContact CE2-CG2 4.11Å; F343-V347 HydrophobicContact CZ-CG2 3.74Å; F343-V347 WeakPolarHBondContact O-CG2 3.42Å; F343-V347 PolarHBondContact O-N 3.41Å; E344-V347 PolarHBondContact O-N 2.69Å; V347-G351 WeakPolarHBondContact O-CA 3.34Å; V347-G351 PolarHBondContact O-N 2.65Å; V347-F412 HydrophobicContact CB-CD2 4.38Å; V347-F412 HydrophobicContact CB-CE2 4.4Å; V347-F412 HydrophobicContact CG2-CD2 3.58Å; V347-F412 HydrophobicContact CG2-CE2 4.06Å; V347-F412 HydrophobicContact CG2-CG 4.35Å; V347-R415 HydrophobicContact CB-CG 4.46Å; V347-R415 HydrophobicContact CG1-CB 4.09Å; V347-R415 HydrophobicContact CG1-CG 3.94Å; V347-R415 HydrophobicContact CG2-CB 4.26Å; V347-R415 HydrophobicContact CG2-CG 4.25Å; V347-A416 HydrophobicContact CG1-CB 4.01Å; V347-L419 HydrophobicContact CG1-CD1 3.83Å
348N89.9Confident90.5Very high10 Ų1020.4 Ų20.45%0.05310%0.104CC..Hα-helixtrans-70.1-35.3176.2-78.8-60.7000113.3E344 L345 I346 Q375 I438E344-N348 WeakPolarHBondContact O-CB 3.31Å; E344-N348 PolarHBondContact O-N 3.15Å; E344-N348 PolarHBondContact O-ND2 3.22Å; L345-N348 PolarHBondContact O-N 3.48Å; I346-N348 VanDerWaalsContact C-N 3.32Å; I346-N348 PolarHBondContact O-N 3.47Å; N348-Q375 PolarHBondContact O-NE2 2.86Å; N348-I438 WeakPolarHBondContact OD1-CD1 3.36Å
349L90.7Very high89.9Confident3 Ų330.4 Ų30.42%0.01614%0.142CC..Hα-helixtrans-76.4-39.7179-72.2170.8000112.7L345 I346 Q375 L384 M387 F435L345-L349 HydrophobicContact CD1-CD1 3.89Å; L345-L349 HydrophobicContact CD1-CG 4Å; L345-L349 HydrophobicContact CD2-CD1 4.49Å; L345-L349 HydrophobicContact CG-CD1 3.8Å; L345-L349 HydrophobicContact CG-CG 4.34Å; L345-L349 WeakPolarHBondContact O-CB 3.11Å; L345-L349 VanDerWaalsContact O-CG 3.26Å; L345-L349 WeakPolarHBondContact O-CG 3.37Å; L345-L349 PolarHBondContact O-N 3.33Å; I346-L349 PolarHBondContact O-N 2.92Å; L349-Q375 PolarHBondContact O-NE2 3.19Å; L349-L384 HydrophobicContact CD2-CD2 3.86Å; L349-M387 HydrophobicContact CB-CE 4.44Å; L349-M387 HydrophobicContact CD1-SD 4.03Å; L349-F435 HydrophobicContact CD2-CZ 4.13Å
350L92.7Very high88.6Confident2 Ų239.4 Ų39.41%0.0118%0.175CC..Hα-helixtrans-111.4-19.9-169.8-55-173.7000114.4I216 I346 C352 Y353 M387 F388 I393 F396 F412I216-L350 HydrophobicContact CD1-CD1 3.97Å; I216-L350 HydrophobicContact CG1-CD1 4.32Å; I346-L350 HydrophobicContact CG2-CD1 4.1Å; I346-L350 WeakPolarHBondContact O-CB 3.26Å; I346-L350 PolarHBondContact O-N 3.39Å; L350-C352 PolarHBondContact O-N 2.99Å; L350-Y353 WeakPolarHBondContact O-CB 3.32Å; L350-Y353 WeakPolarHBondContact O-CD1 3.26Å; L350-Y353 PolarHBondContact O-N 3.09Å; L350-M387 HydrophobicContact CD2-CE 4.11Å; L350-F388 HydrophobicContact CD2-CE1 3.61Å; L350-F388 HydrophobicContact CD2-CZ 4.26Å; L350-I393 HydrophobicContact CD1-CD1 4.32Å; L350-I393 HydrophobicContact CD2-CG2 4.21Å; L350-F396 HydrophobicContact CB-CE1 4.38Å; L350-F396 HydrophobicContact CD1-CD1 3.7Å; L350-F396 HydrophobicContact CD1-CE1 3.6Å; L350-F412 HydrophobicContact CB-CE2 4.13Å; L350-F412 HydrophobicContact CB-CZ 3.82Å
351G89.8Confident87.3Confident5 Ų540.6 Ų40.65%0.05219%0.185CC..THydrogen-bonded Turntrans-64.9-12.4-170.300000115.9V347 R420V347-G351 WeakPolarHBondContact O-CA 3.34Å; V347-G351 PolarHBondContact O-N 2.65Å; G351-R420 PolarHBondContact O-NH1 2.72Å
352C88.3Confident86.3Confident1 Ų145.2 Ų45.21%0.00722%0.223CC..THydrogen-bonded Turntrans-86.20.4170.5470000114.4L350 T354 E355 L371 V433L350-C352 PolarHBondContact O-N 2.99Å; C352-T354 PolarHBondContact O-N 3.33Å; C352-E355 WeakPolarHBondContact O-CB 3.4Å; C352-E355 PolarHBondContact O-N 2.78Å; C352-L371 WeakPolarHBondContact SG-CD1 3.44Å; C352-V433 HydrophobicContact CB-CB 4.4Å; C352-V433 HydrophobicContact CB-CG2 4.01Å
353Y90.3Very high85.4Confident3 Ų350 Ų501%0.01225%0.249CC..G310 helixtrans-52.3-34.6-178.883.3-78.5000113.5L350 E355 C356 L357 V366 L397 R400 F412 E413L350-Y353 WeakPolarHBondContact O-CB 3.32Å; L350-Y353 WeakPolarHBondContact O-CD1 3.26Å; L350-Y353 PolarHBondContact O-N 3.09Å; Y353-E355 PolarHBondContact O-N 3.28Å; Y353-C356 CarbonylContact O-C 3.58Å; Y353-C356 PolarHBondContact O-N 3.12Å; Y353-L357 HydrophobicContact CD2-CD2 4.49Å; Y353-L357 PolarHBondContact O-N 2.71Å; Y353-V366 HydrophobicContact CD2-CG2 4.11Å; Y353-L397 HydrophobicContact CD2-CD2 4.5Å; Y353-L397 HydrophobicContact CG-CD2 4.13Å; Y353-R400 HydrophobicContact CE2-CB 3.87Å; Y353-F412 HydrophobicContact CD1-CE1 4.31Å; Y353-F412 AromaticContact CE1-CE1 3.96Å; Y353-F412 HydrophobicContact CE1-CE1 3.96Å; Y353-E413 VanDerWaalsContact CE1-OE1 3.29Å; Y353-E413 WeakPolarHBondContact CE1-OE1 3.42Å; Y353-E413 VanDerWaalsContact OH-CD 3.28Å; Y353-E413 PolarHBondContact OH-OE1 3.37Å
354T87.1Confident85Confident48 Ų4850 Ų5029%0.29425%0.251SS..G310 helixtrans-59.8-27.3176.755.90000113.8C352 R420C352-T354 PolarHBondContact O-N 3.33Å; T354-R420 PolarHBondContact OG1-NH1 3.43Å
355E84.3Confident84.8Confident95 Ų9555 Ų5544%0.44428%0.275SS..G310 helixtrans-87.8-13.2178.8-56.4-175.6173.400111.6C352 Y353C352-E355 WeakPolarHBondContact O-CB 3.4Å; C352-E355 PolarHBondContact O-N 2.78Å; Y353-E355 PolarHBondContact O-N 3.28Å
356C87.6Confident84.6Confident7 Ų756 Ų565%0.04728%0.281CS..SBendtrans-103.412178.9-56.60000113.4Y353 I358 V366 D367 A370 L371Y353-C356 CarbonylContact O-C 3.58Å; Y353-C356 PolarHBondContact O-N 3.12Å; C356-I358 PolarHBondContact O-N 2.89Å; C356-V366 HydrophobicContact CB-CG1 4.1Å; C356-D367 PolarHBondContact O-N 3.48Å; C356-A370 HydrophobicContact CB-CB 4.11Å; C356-L371 HydrophobicContact CB-CB 4.4Å; C356-L371 VanDerWaalsContact SG-CA 3.59Å; C356-L371 PolarHBondContact SG-N 3.31Å
357L87.2Confident84.4Confident42 Ų4258.4 Ų58.422%0.2229%0.294CS..EExtended strand (participates in β ladder)trans-74.7115.3-176.8-72.3172.1000112.3Y353 R359 P364 E365 V366Y353-L357 HydrophobicContact CD2-CD2 4.49Å; Y353-L357 PolarHBondContact O-N 2.71Å; L357-R359 PolarHBondContact O-N 2.96Å; L357-P364 HydrophobicContact CD2-CB 4.49Å; L357-E365 CarbonylContact C-O 3.58Å; L357-E365 WeakPolarHBondContact CA-O 3.46Å; L357-V366 HydrophobicContact CD2-CG2 3.78Å
358I85.4Confident84.2Confident39 Ų3961 Ų6120%0.231%0.307CS..EExtended strand (participates in β ladder)trans-79.5113.6166.4-66.6174.5000108.3C356 R360 E365 D367C356-I358 PolarHBondContact O-N 2.89Å; I358-R360 HydrophobicContact CG2-CB 4.29Å; I358-R360 HydrophobicContact CG2-CG 3.6Å; I358-E365 PolarHBondContact N-O 2.96Å; I358-E365 PolarHBondContact O-N 3.04Å; I358-E365 VanDerWaalsContact O-N 3.14Å; I358-D367 HydrophobicContact CD1-CB 3.72Å; I358-D367 HydrophobicContact CG1-CB 4Å
359R78.5Confident84.2Confident210 Ų21066.1 Ų66.179%0.79234%0.335SS*.  trans-104.285.1170.4-62.8-179.6-177.1175.3-0.2109.2L357 P364L357-R359 PolarHBondContact O-N 2.96Å; R359-P364 HydrophobicContact CG-CB 4.46Å
360R65.1Low84Confident196 Ų19667.5 Ų67.574%0.7435%0.347SS*.SBendtrans-100.5-37.7171.2-73.2172.6-165.6157.18.1111.7I358I358-R360 HydrophobicContact CG2-CB 4.29Å; I358-R360 HydrophobicContact CG2-CG 3.6Å
361D63.6Low83.7Confident129 Ų12967.4 Ų67.469%0.6935%0.346SS*.SBendtrans-130.5-178.5-174.7-62.7-82.7000111.1N363D361-N363 PolarHBondContact O-N 3.44Å; D361-N363 VanDerWaalsContact O-N 3.14Å
362A71.4Confident83.6Confident103 Ų10368 Ų6885%0.85135%0.348SS*.SBendtrans-61.1-18.7176.700000114.1
363N77.5Confident83.4Confident103 Ų10371.5 Ų71.555%0.55138%0.377SS*.SBendtrans-100.6110.7172.1-65.5-36.7000109.2D361D361-N363 PolarHBondContact O-N 3.44Å; D361-N363 VanDerWaalsContact O-N 3.14Å
364P83.8Confident83Confident26 Ų2672.8 Ų72.817%0.16939%0.386CS..  trans-77.2129.117531.3-34.7000110.8L357 R359 S401L357-P364 HydrophobicContact CD2-CB 4.49Å; R359-P364 HydrophobicContact CG-CB 4.46Å; P364-S401 WeakPolarHBondContact CG-O 3.17Å; P364-S401 WeakPolarHBondContact O-CB 3.31Å; P364-S401 PolarHBondContact O-OG 3.07Å
365E86.8Confident82.6Confident129 Ų12970.9 Ų70.960%0.60337%0.374SS*.EExtended strand (participates in β ladder)trans-108.8157.5178-64.4-171.415700111.1L357 I358L357-E365 CarbonylContact C-O 3.58Å; L357-E365 WeakPolarHBondContact CA-O 3.46Å; I358-E365 PolarHBondContact N-O 2.96Å; I358-E365 PolarHBondContact O-N 3.04Å; I358-E365 VanDerWaalsContact O-N 3.14Å
366V89.1Confident81.7Confident22 Ų2269.3 Ų69.313%0.13337%0.373CS..EExtended strand (participates in β ladder)trans-98122.3176.7-179.30000109.7Y353 C356 L357 L368 L371 L397Y353-V366 HydrophobicContact CD2-CG2 4.11Å; C356-V366 HydrophobicContact CB-CG1 4.1Å; L357-V366 HydrophobicContact CD2-CG2 3.78Å; V366-L368 PolarHBondContact O-N 2.91Å; V366-L371 HydrophobicContact CG1-CD2 4.07Å; V366-L397 HydrophobicContact CG2-CB 4.28Å
367D89.9Confident80.9Confident51 Ų5169.2 Ų69.227%0.27337%0.373SS..  trans-70.2102.3170.7-171.9-20.1000110.2C356 I358 N369 A370 L371C356-D367 PolarHBondContact O-N 3.48Å; I358-D367 HydrophobicContact CD1-CB 3.72Å; I358-D367 HydrophobicContact CG1-CB 4Å; D367-N369 PolarHBondContact O-N 3.21Å; D367-N369 WeakPolarHBondContact OD1-CA 3.2Å; D367-N369 WeakPolarHBondContact OD1-CB 3.45Å; D367-N369 PolarHBondContact OD1-N 3.18Å; D367-A370 HydrophobicContact CB-CB 3.76Å; D367-A370 PolarHBondContact O-N 3.14Å; D367-A370 PolarHBondContact OD1-N 2.93Å; D367-A370 VanDerWaalsContact OD1-N 3.08Å; D367-L371 WeakPolarHBondContact O-CB 3.45Å; D367-L371 PolarHBondContact O-N 3.27Å
368L90Very high80.1Confident57 Ų5771 Ų7130%0.29839%0.387SS..Hα-helixtrans-62.2-29.6178.1-57.4178.5000112.3V366 L371 I372 F388 L397V366-L368 PolarHBondContact O-N 2.91Å; L368-L371 PolarHBondContact O-N 3.05Å; L368-I372 WeakPolarHBondContact O-CD1 3.38Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 3.18Å; L368-F388 HydrophobicContact CD1-CB 4.23Å; L368-F388 HydrophobicContact CD2-CB 4.17Å; L368-F388 HydrophobicContact CD2-CD1 4.24Å; L368-F388 HydrophobicContact CD2-CG 4.21Å; L368-L397 HydrophobicContact CD2-CD1 4.07Å
369N88.2Confident79.7Confident117 Ų11772.1 Ų72.163%0.62641%0.408SS*.Hα-helixtrans-74.7-40176.8-60.6-74.9000111.2D367 L371 I372 A373D367-N369 PolarHBondContact O-N 3.21Å; D367-N369 WeakPolarHBondContact OD1-CA 3.2Å; D367-N369 WeakPolarHBondContact OD1-CB 3.45Å; D367-N369 PolarHBondContact OD1-N 3.18Å; N369-L371 VanDerWaalsContact C-N 3.31Å; N369-I372 PolarHBondContact O-N 2.9Å; N369-A373 WeakPolarHBondContact O-CB 3.27Å; N369-A373 PolarHBondContact O-N 3.33Å
370A87.1Confident80.1Confident33 Ų3362.2 Ų62.227%0.27337%0.371SS..Hα-helixtrans-63.7-38.9171.300000111.3C356 D367 A373 C374C356-A370 HydrophobicContact CB-CB 4.11Å; D367-A370 HydrophobicContact CB-CB 3.76Å; D367-A370 PolarHBondContact O-N 3.14Å; D367-A370 PolarHBondContact OD1-N 2.93Å; D367-A370 VanDerWaalsContact OD1-N 3.08Å; A370-A373 PolarHBondContact O-N 3.46Å; A370-C374 PolarHBondContact O-N 3.28Å; A370-C374 PolarHBondContact O-SG 3.23Å
371L87.4Confident81.1Confident0 Ų057.5 Ų57.50%036%0.357CS..Hα-helixtrans-65.6-41.4176.9-170.758.5000112.1C352 C356 V366 D367 L368 N369 C374 F388 L397C352-L371 WeakPolarHBondContact SG-CD1 3.44Å; C356-L371 HydrophobicContact CB-CB 4.4Å; C356-L371 VanDerWaalsContact SG-CA 3.59Å; C356-L371 PolarHBondContact SG-N 3.31Å; V366-L371 HydrophobicContact CG1-CD2 4.07Å; D367-L371 WeakPolarHBondContact O-CB 3.45Å; D367-L371 PolarHBondContact O-N 3.27Å; L368-L371 PolarHBondContact O-N 3.05Å; N369-L371 VanDerWaalsContact C-N 3.31Å; L371-C374 PolarHBondContact O-N 3.48Å; L371-F388 HydrophobicContact CB-CZ 4.46Å; L371-F388 HydrophobicContact CD2-CD1 4.27Å; L371-F388 HydrophobicContact CD2-CE1 3.46Å; L371-F388 VanDerWaalsContact CD2-CE1 3.46Å; L371-F388 HydrophobicContact CD2-CE2 4.28Å; L371-F388 HydrophobicContact CD2-CZ 3.48Å; L371-F388 VanDerWaalsContact CD2-CZ 3.48Å; L371-F388 HydrophobicContact CG-CE1 4.16Å; L371-F388 HydrophobicContact CG-CE2 4.19Å; L371-F388 HydrophobicContact CG-CZ 3.64Å; L371-L397 HydrophobicContact CD2-CD1 4.18Å
372I86.6Confident82.3Confident18 Ų1855.5 Ų55.59%0.09235%0.353CS..Hα-helixtrans-61.7-43.5169.3-67.1159.2000110.7L368 N369 C374 Q375 E381 L384 K385 F388L368-I372 WeakPolarHBondContact O-CD1 3.38Å; L368-I372 WeakPolarHBondContact O-CG1 3.32Å; L368-I372 PolarHBondContact O-N 3.18Å; N369-I372 PolarHBondContact O-N 2.9Å; I372-C374 VanDerWaalsContact C-N 3.32Å; I372-C374 PolarHBondContact O-N 3.32Å; I372-Q375 WeakPolarHBondContact O-CB 3.43Å; I372-Q375 PolarHBondContact O-N 3.39Å; I372-Q375 VanDerWaalsContact O-N 3.07Å; I372-E381 HydrophobicContact CG2-CG 4.31Å; I372-L384 HydrophobicContact CG1-CB 4.03Å; I372-L384 HydrophobicContact CG2-CD1 4.4Å; I372-K385 HydrophobicContact CD1-CG 3.64Å; I372-F388 HydrophobicContact CD1-CD2 4.11Å; I372-F388 HydrophobicContact CG1-CD2 3.68Å; I372-F388 HydrophobicContact CG1-CE2 3.66Å
373A84.6Confident83.2Confident74 Ų7451.2 Ų51.261%0.61232%0.315SS*.Hα-helixtrans-67-28.6-178.400000113.7N369 A370 Q375N369-A373 WeakPolarHBondContact O-CB 3.27Å; N369-A373 PolarHBondContact O-N 3.33Å; A370-A373 PolarHBondContact O-N 3.46Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.46Å
374C82.3Confident83.9Confident30 Ų3046.3 Ų46.320%0.20329%0.289CS..Hα-helixtrans-61.2-38.5170.3-68.90000111.5A370 L371 I372 S376A370-C374 PolarHBondContact O-N 3.28Å; A370-C374 PolarHBondContact O-SG 3.23Å; L371-C374 PolarHBondContact O-N 3.48Å; I372-C374 VanDerWaalsContact C-N 3.32Å; I372-C374 PolarHBondContact O-N 3.32Å; C374-S376 VanDerWaalsContact C-N 3.33Å; C374-S376 PolarHBondContact O-N 2.87Å
375Q78Confident84.2Confident7 Ų749.8 Ų49.83%0.03330%0.302CS..  trans-76.878.7-178.9-60.3-61.5-20.900111.3N348 L349 I372 A373 C377 L384N348-Q375 PolarHBondContact O-NE2 2.86Å; L349-Q375 PolarHBondContact O-NE2 3.19Å; I372-Q375 WeakPolarHBondContact O-CB 3.43Å; I372-Q375 PolarHBondContact O-N 3.39Å; I372-Q375 VanDerWaalsContact O-N 3.07Å; A373-Q375 VanDerWaalsContact C-N 3.27Å; A373-Q375 PolarHBondContact O-N 3.46Å; Q375-C377 PolarHBondContact O-N 2.83Å; Q375-L384 HydrophobicContact CB-CD1 3.54Å; Q375-L384 HydrophobicContact CG-CD1 3.94Å
376S66.4Low84.5Confident62 Ų6246 Ų4643%0.43429%0.289SS..  trans-70.454.5-177.2-65.10000114.3C374 T432C374-S376 VanDerWaalsContact C-N 3.33Å; C374-S376 PolarHBondContact O-N 2.87Å; S376-T432 VanDerWaalsContact OG-CG2 3.24Å; S376-T432 WeakPolarHBondContact OG-CG2 3.32Å
377C70.7Confident84.7Confident5 Ų545.1 Ų45.13%0.03428%0.284CS..  trans-124.194.4-176.6-177.90000111Q375 G379 L380 F435 F464Q375-C377 PolarHBondContact O-N 2.83Å; C377-G379 PolarHBondContact O-N 3.41Å; C377-L380 HydrophobicContact CB-CB 3.87Å; C377-L380 HydrophobicContact CB-CD2 3.87Å; C377-L380 VanDerWaalsContact O-CB 3.25Å; C377-L380 WeakPolarHBondContact O-CB 3.22Å; C377-L380 PolarHBondContact O-N 3.01Å; C377-F435 HydrophobicContact CB-CD2 3.84Å; C377-F435 HydrophobicContact CB-CE2 3.91Å; C377-F464 HydrophobicContact CB-CE1 4.23Å; C377-F464 HydrophobicContact CB-CZ 4.21Å; C377-F464 WeakPolarHBondContact SG-CZ 3.5Å
378P69.6Low84.9Confident80 Ų8042.9 Ų42.952%0.51927%0.272SS..THydrogen-bonded Turntrans-54.5130.2-179.9-27.835.9000112.7L380 W469P378-L380 VanDerWaalsContact C-N 3.34Å; P378-W469 HydrophobicContact CG-CH2 4.42Å
379G77.9Confident85Confident62 Ų6246.4 Ų46.464%0.63929%0.287SS*.THydrogen-bonded Turntrans83.8-0.8-176.700000115.5C377C377-G379 PolarHBondContact O-N 3.41Å
380L86.5Confident85.2Confident2 Ų241 Ų411%0.0126%0.258CS..  trans-88.4-19.7169.2-164.364.8000112.2P292 I295 C377 P378 S382 F383 L384 F435P292-L380 HydrophobicContact CB-CD1 3.69Å; P292-L380 HydrophobicContact CG-CD1 3.92Å; I295-L380 HydrophobicContact CD1-CD1 3.98Å; I295-L380 HydrophobicContact CG1-CD1 4.08Å; C377-L380 HydrophobicContact CB-CB 3.87Å; C377-L380 HydrophobicContact CB-CD2 3.87Å; C377-L380 VanDerWaalsContact O-CB 3.25Å; C377-L380 WeakPolarHBondContact O-CB 3.22Å; C377-L380 PolarHBondContact O-N 3.01Å; P378-L380 VanDerWaalsContact C-N 3.34Å; L380-S382 VanDerWaalsContact C-N 3.34Å; L380-S382 PolarHBondContact O-N 2.83Å; L380-F383 HydrophobicContact CD1-CB 4.42Å; L380-F383 HydrophobicContact CD1-CD1 3.81Å; L380-F383 HydrophobicContact CD1-CG 4.38Å; L380-F383 HydrophobicContact CG-CD1 4.31Å; L380-F383 WeakPolarHBondContact O-CB 3.45Å; L380-F383 PolarHBondContact O-N 2.81Å; L380-F383 VanDerWaalsContact O-N 3.12Å; L380-L384 HydrophobicContact CB-CD1 4.45Å; L380-L384 HydrophobicContact CD2-CD1 4.21Å; L380-L384 HydrophobicContact CD2-CD2 4.47Å; L380-L384 HydrophobicContact CD2-CG 4.38Å; L380-L384 HydrophobicContact CG-CD1 4.11Å; L380-L384 HydrophobicContact CG-CD2 4.47Å; L380-L384 HydrophobicContact CG-CG 4.01Å; L380-L384 WeakPolarHBondContact O-CG 3.5Å; L380-L384 PolarHBondContact O-N 2.92Å; L380-F435 HydrophobicContact CD2-CE2 3.78Å; L380-F435 HydrophobicContact CD2-CZ 3.87Å
381E86.4Confident85.5Confident98 Ų9843.5 Ų43.546%0.45826%0.264SS..Hα-helixtrans-53.7-39.9-175-64.6168.5-133.800115I372 L384 K385I372-E381 HydrophobicContact CG2-CG 4.31Å; E381-L384 PolarHBondContact O-N 2.86Å; E381-K385 WeakPolarHBondContact O-CG 3.46Å; E381-K385 PolarHBondContact O-N 2.94Å
382S87.5Confident85.8Confident86 Ų8643.8 Ų43.860%0.60127%0.266SS*.Hα-helixtrans-68.6-41.9179490000111.7L380 K385 S386L380-S382 VanDerWaalsContact C-N 3.34Å; L380-S382 PolarHBondContact O-N 2.83Å; S382-K385 PolarHBondContact O-N 2.82Å; S382-S386 PolarHBondContact O-N 3.01Å
383F91.1Very high86.2Confident13 Ų1343 Ų436%0.05726%0.262CS..Hα-helixtrans-62.5-45171.9165.5-93.2000111.3V184 L187 L188 P292 I295 L380 K385 S386 M387V184-F383 HydrophobicContact CG1-CE2 3.92Å; L187-F383 HydrophobicContact CD1-CZ 4.31Å; L188-F383 HydrophobicContact CD1-CD2 4Å; L188-F383 HydrophobicContact CD1-CE2 3.94Å; L188-F383 HydrophobicContact CD2-CD2 3.85Å; L188-F383 HydrophobicContact CD2-CE2 3.73Å; L188-F383 HydrophobicContact CG-CD2 4.18Å; L188-F383 HydrophobicContact CG-CE2 3.79Å; P292-F383 HydrophobicContact CG-CB 3.55Å; P292-F383 HydrophobicContact CG-CD1 4Å; P292-F383 HydrophobicContact CG-CD2 3.57Å; P292-F383 HydrophobicContact CG-CE2 4.32Å; P292-F383 HydrophobicContact CG-CG 3.39Å; I295-F383 HydrophobicContact CD1-CD1 3.85Å; I295-F383 HydrophobicContact CD1-CE1 3.33Å; I295-F383 HydrophobicContact CD1-CE2 4.38Å; I295-F383 HydrophobicContact CD1-CZ 3.65Å; L380-F383 HydrophobicContact CD1-CB 4.42Å; L380-F383 HydrophobicContact CD1-CD1 3.81Å; L380-F383 HydrophobicContact CD1-CG 4.38Å; L380-F383 HydrophobicContact CG-CD1 4.31Å; L380-F383 WeakPolarHBondContact O-CB 3.45Å; L380-F383 PolarHBondContact O-N 2.81Å; L380-F383 VanDerWaalsContact O-N 3.12Å; F383-K385 VanDerWaalsContact C-N 3.33Å; F383-K385 PolarHBondContact O-N 2.89Å; F383-S386 PolarHBondContact O-N 2.81Å; F383-M387 HydrophobicContact CE1-CB 4.19Å; F383-M387 HydrophobicContact CE1-CG 4.37Å; F383-M387 HydrophobicContact CE1-SD 3.62Å; F383-M387 HydrophobicContact CZ-CB 4.15Å; F383-M387 HydrophobicContact CZ-CG 4.2Å; F383-M387 HydrophobicContact CZ-SD 3.79Å; F383-M387 VanDerWaalsContact O-CB 3.28Å; F383-M387 WeakPolarHBondContact O-CB 3.37Å; F383-M387 PolarHBondContact O-N 2.99Å
384L91.8Very high86.6Confident0 Ų042.9 Ų42.90%025%0.248CC..Hα-helixtrans-61.7-40.3179.3-68.8170.1000111.9L349 I372 Q375 L380 E381 M387 F388L349-L384 HydrophobicContact CD2-CD2 3.86Å; I372-L384 HydrophobicContact CG1-CB 4.03Å; I372-L384 HydrophobicContact CG2-CD1 4.4Å; Q375-L384 HydrophobicContact CB-CD1 3.54Å; Q375-L384 HydrophobicContact CG-CD1 3.94Å; L380-L384 HydrophobicContact CB-CD1 4.45Å; L380-L384 HydrophobicContact CD2-CD1 4.21Å; L380-L384 HydrophobicContact CD2-CD2 4.47Å; L380-L384 HydrophobicContact CD2-CG 4.38Å; L380-L384 HydrophobicContact CG-CD1 4.11Å; L380-L384 HydrophobicContact CG-CD2 4.47Å; L380-L384 HydrophobicContact CG-CG 4.01Å; L380-L384 WeakPolarHBondContact O-CG 3.5Å; L380-L384 PolarHBondContact O-N 2.92Å; E381-L384 PolarHBondContact O-N 2.86Å; L384-M387 HydrophobicContact CD2-CE 3.77Å; L384-M387 PolarHBondContact O-N 2.78Å; L384-F388 HydrophobicContact CB-CD2 4.19Å; L384-F388 HydrophobicContact CB-CE2 3.94Å; L384-F388 HydrophobicContact CD2-CE2 4.16Å; L384-F388 HydrophobicContact CD2-CZ 4.39Å; L384-F388 WeakPolarHBondContact O-CB 3.47Å; L384-F388 WeakPolarHBondContact O-CD2 3.36Å; L384-F388 VanDerWaalsContact O-CG 3.32Å; L384-F388 WeakPolarHBondContact O-CG 3.27Å; L384-F388 PolarHBondContact O-N 3.44Å
385K91.4Very high87.1Confident100 Ų10044.2 Ų44.244%0.43525%0.253SS..Hα-helixtrans-58.3-52.5175-74.7167.3-178.8171.70111.2I372 E381 S382 F383 M387 F388 E389I372-K385 HydrophobicContact CD1-CG 3.64Å; E381-K385 WeakPolarHBondContact O-CG 3.46Å; E381-K385 PolarHBondContact O-N 2.94Å; S382-K385 PolarHBondContact O-N 2.82Å; F383-K385 VanDerWaalsContact C-N 3.33Å; F383-K385 PolarHBondContact O-N 2.89Å; K385-M387 VanDerWaalsContact C-N 3.31Å; K385-M387 PolarHBondContact O-N 2.92Å; K385-F388 CarbonylContact O-C 3.5Å; K385-F388 PolarHBondContact O-N 3.32Å; K385-F388 VanDerWaalsContact O-N 3.13Å; K385-E389 WeakPolarHBondContact O-CG 3.29Å; K385-E389 PolarHBondContact O-N 2.66Å
386S91.6Very high87.8Confident50 Ų5044.4 Ų44.435%0.3525%0.254SS..Hα-helixtrans-69.6-23.8177.3-63.30000114.9S382 F383 E389S382-S386 PolarHBondContact O-N 3.01Å; F383-S386 PolarHBondContact O-N 2.81Å; S386-E389 WeakPolarHBondContact CA-OE2 3.45Å; S386-E389 PolarHBondContact OG-OE2 2.82Å
387M93.9Very high89.1Confident2 Ų241.8 Ų41.81%0.0124%0.235CC..Hα-helixtrans-74-33.8170.2-172.5-168.776.800111.6L187 L188 L349 L350 F383 L384 K385 S390 I393L187-M387 HydrophobicContact CB-CG 4.4Å; L187-M387 HydrophobicContact CD1-SD 4.36Å; L188-M387 HydrophobicContact CD2-CB 4.42Å; L349-M387 HydrophobicContact CB-CE 4.44Å; L349-M387 HydrophobicContact CD1-SD 4.03Å; L350-M387 HydrophobicContact CD2-CE 4.11Å; F383-M387 HydrophobicContact CE1-CB 4.19Å; F383-M387 HydrophobicContact CE1-CG 4.37Å; F383-M387 HydrophobicContact CE1-SD 3.62Å; F383-M387 HydrophobicContact CZ-CB 4.15Å; F383-M387 HydrophobicContact CZ-CG 4.2Å; F383-M387 HydrophobicContact CZ-SD 3.79Å; F383-M387 VanDerWaalsContact O-CB 3.28Å; F383-M387 WeakPolarHBondContact O-CB 3.37Å; F383-M387 PolarHBondContact O-N 2.99Å; L384-M387 HydrophobicContact CD2-CE 3.77Å; L384-M387 PolarHBondContact O-N 2.78Å; K385-M387 VanDerWaalsContact C-N 3.31Å; K385-M387 PolarHBondContact O-N 2.92Å; M387-S390 WeakPolarHBondContact O-CB 3.26Å; M387-S390 PolarHBondContact O-N 2.94Å; M387-I393 HydrophobicContact CG-CG1 4.23Å; M387-I393 WeakPolarHBondContact O-CB 3.21Å; M387-I393 WeakPolarHBondContact O-CG1 3.47Å
388F93.3Very high90.1Very high5 Ų543.7 Ų43.72%0.02225%0.245CC..Hα-helixtrans-83.2-12.8174.9-64.9-49.5000113.3L350 L368 L371 I372 L384 K385 S390 I393 Q394 L397L350-F388 HydrophobicContact CD2-CE1 3.61Å; L350-F388 HydrophobicContact CD2-CZ 4.26Å; L368-F388 HydrophobicContact CD1-CB 4.23Å; L368-F388 HydrophobicContact CD2-CB 4.17Å; L368-F388 HydrophobicContact CD2-CD1 4.24Å; L368-F388 HydrophobicContact CD2-CG 4.21Å; L371-F388 HydrophobicContact CB-CZ 4.46Å; L371-F388 HydrophobicContact CD2-CD1 4.27Å; L371-F388 HydrophobicContact CD2-CE1 3.46Å; L371-F388 VanDerWaalsContact CD2-CE1 3.46Å; L371-F388 HydrophobicContact CD2-CE2 4.28Å; L371-F388 HydrophobicContact CD2-CZ 3.48Å; L371-F388 VanDerWaalsContact CD2-CZ 3.48Å; L371-F388 HydrophobicContact CG-CE1 4.16Å; L371-F388 HydrophobicContact CG-CE2 4.19Å; L371-F388 HydrophobicContact CG-CZ 3.64Å; I372-F388 HydrophobicContact CD1-CD2 4.11Å; I372-F388 HydrophobicContact CG1-CD2 3.68Å; I372-F388 HydrophobicContact CG1-CE2 3.66Å; L384-F388 HydrophobicContact CB-CD2 4.19Å; L384-F388 HydrophobicContact CB-CE2 3.94Å; L384-F388 HydrophobicContact CD2-CE2 4.16Å; L384-F388 HydrophobicContact CD2-CZ 4.39Å; L384-F388 WeakPolarHBondContact O-CB 3.47Å; L384-F388 WeakPolarHBondContact O-CD2 3.36Å; L384-F388 VanDerWaalsContact O-CG 3.32Å; L384-F388 WeakPolarHBondContact O-CG 3.27Å; L384-F388 PolarHBondContact O-N 3.44Å; K385-F388 CarbonylContact O-C 3.5Å; K385-F388 PolarHBondContact O-N 3.32Å; K385-F388 VanDerWaalsContact O-N 3.13Å; F388-S390 VanDerWaalsContact C-N 3.27Å; F388-I393 HydrophobicContact CD1-CG2 3.84Å; F388-I393 HydrophobicContact CE1-CG2 4.22Å; F388-Q394 WeakPolarHBondContact O-CG 3.32Å; F388-Q394 PolarHBondContact O-NE2 2.88Å; F388-L397 HydrophobicContact CD1-CD1 4.39Å
389E92.2Very high91Very high131 Ų13144.8 Ų44.861%0.61224%0.243SC*.THydrogen-bonded Turntrans-72.9-17.1165.3-73.8161.5-179.800112.7K385 S386 Q391 Q394K385-E389 WeakPolarHBondContact O-CG 3.29Å; K385-E389 PolarHBondContact O-N 2.66Å; S386-E389 WeakPolarHBondContact CA-OE2 3.45Å; S386-E389 PolarHBondContact OG-OE2 2.82Å; E389-Q391 PolarHBondContact O-N 2.74Å; E389-Q394 PolarHBondContact O-NE2 2.95Å
390S93.5Very high91.5Very high3 Ų342.8 Ų42.82%0.02122%0.216CC..  trans-61.1130.1177162.10000112.7E189 M387 F388 T392 I393 Q394E189-S390 WeakPolarHBondContact CG-OG 3.49Å; E189-S390 PolarHBondContact OE1-OG 3.38Å; M387-S390 WeakPolarHBondContact O-CB 3.26Å; M387-S390 PolarHBondContact O-N 2.94Å; F388-S390 VanDerWaalsContact C-N 3.27Å; S390-T392 VanDerWaalsContact C-N 3.27Å; S390-T392 PolarHBondContact O-N 2.97Å; S390-T392 WeakPolarHBondContact OG-CB 3.35Å; S390-T392 PolarHBondContact OG-N 3.45Å; S390-T392 VanDerWaalsContact OG-N 3.16Å; S390-I393 PolarHBondContact O-N 3.23Å; S390-I393 PolarHBondContact OG-N 3.02Å; S390-Q394 WeakPolarHBondContact O-CB 3.28Å; S390-Q394 VanDerWaalsContact O-CG 3.29Å; S390-Q394 WeakPolarHBondContact O-CG 3.48Å; S390-Q394 PolarHBondContact O-N 3Å
391Q93.5Very high91.6Very high86 Ų8643.1 Ų43.140%0.40222%0.219SC..Hα-helixtrans-64.1-34.9173.6-173.461.375.100111.9E189 V219 E389 L395E189-Q391 PolarHBondContact OE1-N 2.8Å; E189-Q391 PolarHBondContact OE2-N 2.89Å; V219-Q391 HydrophobicContact CG2-CB 4.11Å; V219-Q391 HydrophobicContact CG2-CG 4.02Å; E389-Q391 PolarHBondContact O-N 2.74Å; Q391-L395 HydrophobicContact CG-CD1 4.15Å; Q391-L395 WeakPolarHBondContact O-CB 3.45Å; Q391-L395 WeakPolarHBondContact O-CG 3.32Å; Q391-L395 PolarHBondContact O-N 3.21Å
392T93Very high91.6Very high6 Ų645 Ų454%0.03722%0.222CC..Hα-helixtrans-61.6-47.2174.1-61.70000112.4E189 I216 Q217 V219 S390 F396E189-T392 WeakPolarHBondContact OE1-CB 3.47Å; E189-T392 PolarHBondContact OE1-N 3.17Å; E189-T392 PolarHBondContact OE1-OG1 2.9Å; I216-T392 HydrophobicContact CG2-CG2 3.24Å; Q217-T392 WeakPolarHBondContact O-CG2 3.18Å; V219-T392 WeakPolarHBondContact CG2-OG1 3.36Å; S390-T392 VanDerWaalsContact C-N 3.27Å; S390-T392 PolarHBondContact O-N 2.97Å; S390-T392 WeakPolarHBondContact OG-CB 3.35Å; S390-T392 PolarHBondContact OG-N 3.45Å; S390-T392 VanDerWaalsContact OG-N 3.16Å; T392-F396 PolarHBondContact O-N 3.03Å
393I94.7Very high91.4Very high2 Ų251.1 Ų51.11%0.0123%0.232CC..Hα-helixtrans-71.9-39.9177.5-59.2-65.5000111.3L187 I216 L350 M387 F388 S390 F396 L397L187-I393 HydrophobicContact CD2-CD1 4.05Å; I216-I393 HydrophobicContact CD1-CD1 3.6Å; I216-I393 HydrophobicContact CG1-CD1 4.33Å; I216-I393 HydrophobicContact CG2-CD1 4.3Å; L350-I393 HydrophobicContact CD1-CD1 4.32Å; L350-I393 HydrophobicContact CD2-CG2 4.21Å; M387-I393 HydrophobicContact CG-CG1 4.23Å; M387-I393 WeakPolarHBondContact O-CB 3.21Å; M387-I393 WeakPolarHBondContact O-CG1 3.47Å; F388-I393 HydrophobicContact CD1-CG2 3.84Å; F388-I393 HydrophobicContact CE1-CG2 4.22Å; S390-I393 PolarHBondContact O-N 3.23Å; S390-I393 PolarHBondContact OG-N 3.02Å; I393-F396 PolarHBondContact O-N 3.42Å; I393-L397 HydrophobicContact CG2-CD1 4.08Å; I393-L397 HydrophobicContact CG2-CG 4.47Å; I393-L397 WeakPolarHBondContact O-CG 3.23Å; I393-L397 PolarHBondContact O-N 3.26Å
394Q93.7Very high91.1Very high70 Ų7054.6 Ų54.633%0.32726%0.256SS..Hα-helixtrans-61.5-45.7177.5-74.3172.222.500112.1F388 E389 S390 F396 L397 D398F388-Q394 WeakPolarHBondContact O-CG 3.32Å; F388-Q394 PolarHBondContact O-NE2 2.88Å; E389-Q394 PolarHBondContact O-NE2 2.95Å; S390-Q394 WeakPolarHBondContact O-CB 3.28Å; S390-Q394 VanDerWaalsContact O-CG 3.29Å; S390-Q394 WeakPolarHBondContact O-CG 3.48Å; S390-Q394 PolarHBondContact O-N 3Å; Q394-F396 PolarHBondContact O-N 3.22Å; Q394-L397 PolarHBondContact O-N 3.17Å; Q394-D398 VanDerWaalsContact O-CB 3.24Å; Q394-D398 WeakPolarHBondContact O-CB 3.46Å; Q394-D398 PolarHBondContact O-N 3.28Å
395L92.4Very high90.7Very high58 Ų5856.9 Ų56.930%0.30427%0.27SS..Hα-helixtrans-66.1-36178-78.1166.2000112.6V219 Q391 Q399V219-L395 HydrophobicContact CB-CD1 4.45Å; V219-L395 HydrophobicContact CG1-CD1 3.7Å; Q391-L395 HydrophobicContact CG-CD1 4.15Å; Q391-L395 WeakPolarHBondContact O-CB 3.45Å; Q391-L395 WeakPolarHBondContact O-CG 3.32Å; Q391-L395 PolarHBondContact O-N 3.21Å; L395-Q399 VanDerWaalsContact O-CB 3.31Å; L395-Q399 WeakPolarHBondContact O-CB 3.28Å; L395-Q399 WeakPolarHBondContact O-CG 3.36Å; L395-Q399 PolarHBondContact O-N 3.42Å
396F93.4Very high90.1Very high12 Ų1256.1 Ų56.15%0.05327%0.271CS..Hα-helixtrans-61.6-44.6173.3174.4-94.3000112.3P215 I216 L350 T392 I393 Q394 R400 F412P215-F396 HydrophobicContact CB-CE2 3.96Å; P215-F396 HydrophobicContact CG-CE2 3.52Å; P215-F396 HydrophobicContact CG-CZ 3.73Å; I216-F396 HydrophobicContact CB-CD2 4.42Å; I216-F396 HydrophobicContact CG1-CD1 4.34Å; I216-F396 HydrophobicContact CG1-CD2 3.95Å; I216-F396 HydrophobicContact CG1-CE2 4.21Å; I216-F396 HydrophobicContact CG1-CG 4.01Å; I216-F396 HydrophobicContact CG2-CB 4.42Å; L350-F396 HydrophobicContact CB-CE1 4.38Å; L350-F396 HydrophobicContact CD1-CD1 3.7Å; L350-F396 HydrophobicContact CD1-CE1 3.6Å; T392-F396 PolarHBondContact O-N 3.03Å; I393-F396 PolarHBondContact O-N 3.42Å; Q394-F396 PolarHBondContact O-N 3.22Å; F396-R400 WeakPolarHBondContact O-CG 3.38Å; F396-R400 PolarHBondContact O-N 2.73Å; F396-F412 HydrophobicContact CE1-CE1 4.21Å; F396-F412 HydrophobicContact CE1-CE2 4.18Å; F396-F412 AromaticContact CE1-CZ 3.85Å; F396-F412 HydrophobicContact CE1-CZ 3.85Å; F396-F412 HydrophobicContact CZ-CD1 4.17Å; F396-F412 HydrophobicContact CZ-CD2 4.08Å; F396-F412 AromaticContact CZ-CE1 3.96Å; F396-F412 HydrophobicContact CZ-CE1 3.96Å; F396-F412 AromaticContact CZ-CE2 3.87Å; F396-F412 HydrophobicContact CZ-CE2 3.87Å; F396-F412 HydrophobicContact CZ-CG 4.23Å; F396-F412 AromaticContact CZ-CZ 3.81Å; F396-F412 HydrophobicContact CZ-CZ 3.81Å
397L93.6Very high89.5Confident6 Ų657.9 Ų57.93%0.03127%0.273CS..Hα-helixtrans-68.8-42.8178.5-69.2174.3000112.2Y353 V366 L368 L371 F388 I393 Q394 R400 S401Y353-L397 HydrophobicContact CD2-CD2 4.5Å; Y353-L397 HydrophobicContact CG-CD2 4.13Å; V366-L397 HydrophobicContact CG2-CB 4.28Å; L368-L397 HydrophobicContact CD2-CD1 4.07Å; L371-L397 HydrophobicContact CD2-CD1 4.18Å; F388-L397 HydrophobicContact CD1-CD1 4.39Å; I393-L397 HydrophobicContact CG2-CD1 4.08Å; I393-L397 HydrophobicContact CG2-CG 4.47Å; I393-L397 WeakPolarHBondContact O-CG 3.23Å; I393-L397 PolarHBondContact O-N 3.26Å; Q394-L397 PolarHBondContact O-N 3.17Å; L397-R400 PolarHBondContact O-N 3.38Å; L397-S401 WeakPolarHBondContact O-CB 3.45Å; L397-S401 PolarHBondContact O-N 3.28Å
398D90.9Very high88.7Confident46 Ų4665.2 Ų65.225%0.24631%0.305CS..Hα-helixtrans-67.5-40.2-179.5-178.665.5000112.9Q394 R400 S401 R402Q394-D398 VanDerWaalsContact O-CB 3.24Å; Q394-D398 WeakPolarHBondContact O-CB 3.46Å; Q394-D398 PolarHBondContact O-N 3.28Å; D398-R400 VanDerWaalsContact C-N 3.34Å; D398-R400 PolarHBondContact O-N 3.39Å; D398-S401 PolarHBondContact O-OG 2.96Å; D398-R402 VanDerWaalsContact CG-CZ 3.48Å; D398-R402 VanDerWaalsContact CG-NE 3.26Å; D398-R402 WeakPolarHBondContact O-CB 3.47Å; D398-R402 VanDerWaalsContact O-CG 3.28Å; D398-R402 WeakPolarHBondContact O-CG 3.5Å; D398-R402 PolarHBondContact O-N 3.46Å; D398-R402 VanDerWaalsContact O-N 3.12Å; D398-R402 IonicContact OD1-CZ 3.46Å; D398-R402 IonicContact OD1-NE 2.85Å; D398-R402 PolarHBondContact OD1-NE 3.22Å; D398-R402 IonicContact OD1-NH2 2.88Å; D398-R402 PolarHBondContact OD1-NH2 3.41Å; D398-R402 IonicContact OD2-CZ 2.68Å; D398-R402 IonicContact OD2-NE 3.88Å; D398-R402 PolarHBondContact OD2-NE 3.08Å; D398-R402 IonicContact OD2-NH1 3.91Å; D398-R402 IonicContact OD2-NH2 3.9Å; D398-R402 PolarHBondContact OD2-NH2 3.28Å
399Q88.1Confident88Confident103 Ų10370.5 Ų70.548%0.48133%0.333SS..Hα-helixtrans-61-44.2172.3-74.4171.812.100111.3L395 R403L395-Q399 VanDerWaalsContact O-CB 3.31Å; L395-Q399 WeakPolarHBondContact O-CB 3.28Å; L395-Q399 WeakPolarHBondContact O-CG 3.36Å; L395-Q399 PolarHBondContact O-N 3.42Å; Q399-R403 CarbonylContact O-C 3.54Å; Q399-R403 PolarHBondContact O-N 2.88Å
400R90Very high87.6Confident20 Ų2065.6 Ų65.68%0.07531%0.311CS..Hα-helixtrans-76.6-27-178.4-73-174.6178.1-98.4-10.6114.2Y353 F396 L397 D398 P404 D410 F412 E413Y353-R400 HydrophobicContact CE2-CB 3.87Å; F396-R400 WeakPolarHBondContact O-CG 3.38Å; F396-R400 PolarHBondContact O-N 2.73Å; L397-R400 PolarHBondContact O-N 3.38Å; D398-R400 VanDerWaalsContact C-N 3.34Å; D398-R400 PolarHBondContact O-N 3.39Å; R400-P404 VanDerWaalsContact O-CA 3.27Å; R400-P404 WeakPolarHBondContact O-CA 3.42Å; R400-D410 IonicContact CZ-OD1 3.87Å; R400-D410 IonicContact CZ-OD2 3.27Å; R400-D410 VanDerWaalsContact NH1-CG 3.33Å; R400-D410 IonicContact NH1-OD1 3.81Å; R400-D410 PolarHBondContact NH1-OD1 3.35Å; R400-D410 IonicContact NH1-OD2 2.74Å; R400-D410 PolarHBondContact NH1-OD2 2.87Å; R400-D410 IonicContact NH2-OD1 2.69Å; R400-D410 PolarHBondContact NH2-OD1 3.38Å; R400-D410 IonicContact NH2-OD2 2.82Å; R400-D410 PolarHBondContact NH2-OD2 2.64Å; R400-F412 VanDerWaalsContact NH1-CD1 3.32Å; R400-E413 IonicContact CZ-OE1 2.79Å; R400-E413 IonicContact NH1-OE1 2.78Å; R400-E413 PolarHBondContact NH1-OE1 2.77Å
401S87.9Confident87.3Confident9 Ų967.7 Ų67.76%0.06332%0.322CS..Hα-helixtrans-72.6-47.1172.872.80000111.1P364 L397 D398P364-S401 WeakPolarHBondContact CG-O 3.17Å; P364-S401 WeakPolarHBondContact O-CB 3.31Å; P364-S401 PolarHBondContact O-OG 3.07Å; L397-S401 WeakPolarHBondContact O-CB 3.45Å; L397-S401 PolarHBondContact O-N 3.28Å; D398-S401 PolarHBondContact O-OG 2.96Å
402R85.9Confident87.2Confident138 Ų13863.6 Ų63.652%0.52130%0.302SS..Hα-helixtrans-70.2-37.7179.7-63.9178.3-163.9-167.38.6113.1D398D398-R402 VanDerWaalsContact CG-CZ 3.48Å; D398-R402 VanDerWaalsContact CG-NE 3.26Å; D398-R402 WeakPolarHBondContact O-CB 3.47Å; D398-R402 VanDerWaalsContact O-CG 3.28Å; D398-R402 WeakPolarHBondContact O-CG 3.5Å; D398-R402 PolarHBondContact O-N 3.46Å; D398-R402 VanDerWaalsContact O-N 3.12Å; D398-R402 IonicContact OD1-CZ 3.46Å; D398-R402 IonicContact OD1-NE 2.85Å; D398-R402 PolarHBondContact OD1-NE 3.22Å; D398-R402 IonicContact OD1-NH2 2.88Å; D398-R402 PolarHBondContact OD1-NH2 3.41Å; D398-R402 IonicContact OD2-CZ 2.68Å; D398-R402 IonicContact OD2-NE 3.88Å; D398-R402 PolarHBondContact OD2-NE 3.08Å; D398-R402 IonicContact OD2-NH1 3.91Å; D398-R402 IonicContact OD2-NH2 3.9Å; D398-R402 PolarHBondContact OD2-NH2 3.28Å
403R84.4Confident87Confident214 Ų21463.8 Ų63.881%0.80830%0.303SS*.SBendtrans-136.976.8-178.9-168.3177.6-178.1177.1-0.1110.6Q399 P405Q399-R403 CarbonylContact O-C 3.54Å; Q399-R403 PolarHBondContact O-N 2.88Å; R403-P405 WeakPolarHBondContact O-CD 3.4Å
404P83.6Confident86.8Confident86 Ų8665.9 Ų65.956%0.55831%0.314SS*.PPolyproline II helixtrans-59.112617723.5-33.7000110.8R400R400-P404 VanDerWaalsContact O-CA 3.27Å; R400-P404 WeakPolarHBondContact O-CA 3.42Å
405P84.1Confident86.6Confident48 Ų4865.1 Ų65.131%0.31231%0.308SS..PPolyproline II helixtrans-66.2158.9176.7-24.536.6000113.3R403 Q407 D410 E413R403-P405 WeakPolarHBondContact O-CD 3.4Å; P405-Q407 PolarHBondContact O-N 3.35Å; P405-D410 HydrophobicContact CB-CB 3.5Å; P405-D410 VanDerWaalsContact CB-CB 3.5Å; P405-D410 HydrophobicContact CG-CB 4.32Å; P405-E413 HydrophobicContact CB-CG 4.49Å
406D79.3Confident86.5Confident83 Ų8362.5 Ų62.544%0.44430%0.295SS..PPolyproline II helixtrans-65.5119.7170.5-179.7-1.8000110K408 I409 D410D406-K408 PolarHBondContact O-N 3.3Å; D406-K408 WeakPolarHBondContact OD1-CB 3.49Å; D406-K408 PolarHBondContact OD1-N 2.86Å; D406-I409 HydrophobicContact CB-CB 4.37Å; D406-I409 HydrophobicContact CB-CD1 4.09Å; D406-I409 HydrophobicContact CB-CG1 4.12Å; D406-I409 PolarHBondContact O-N 3.17Å; D406-D410 PolarHBondContact O-N 3.32Å
407Q78.5Confident86.2Confident87 Ų8763.4 Ų63.441%0.40730%0.302SS..THydrogen-bonded Turntrans-56.6-16176.8-154.3-149.7-87.900114.1P405 E413 N414 S417P405-Q407 PolarHBondContact O-N 3.35Å; Q407-E413 HydrophobicContact CB-CB 4.29Å; Q407-E413 HydrophobicContact CG-CB 3.96Å; Q407-E413 WeakPolarHBondContact CG-O 3.35Å; Q407-N414 WeakPolarHBondContact O-CB 3.31Å; Q407-N414 PolarHBondContact O-ND2 3.01Å; Q407-S417 PolarHBondContact OE1-OG 3.4Å
408K76.6Confident85.9Confident156 Ų15666.8 Ų66.868%0.67832%0.318SS*.THydrogen-bonded Turntrans-83.9-24.4173.1-63.8177.1179.6177.60113.6D406D406-K408 PolarHBondContact O-N 3.3Å; D406-K408 WeakPolarHBondContact OD1-CB 3.49Å; D406-K408 PolarHBondContact OD1-N 2.86Å
409I78.5Confident85.6Confident117 Ų11765.7 Ų65.760%0.631%0.312SS*.THydrogen-bonded Turntrans-105.1-46.8-172.9-56178000110.2D406D406-I409 HydrophobicContact CB-CB 4.37Å; D406-I409 HydrophobicContact CB-CD1 4.09Å; D406-I409 HydrophobicContact CB-CG1 4.12Å; D406-I409 PolarHBondContact O-N 3.17Å
410D84.4Confident85.2Confident27 Ų2762.1 Ų62.114%0.14429%0.294CS..  trans-80.8119.3-179.8-178.687.8000111.3R400 P405 D406 F412 E413 N414R400-D410 IonicContact CZ-OD1 3.87Å; R400-D410 IonicContact CZ-OD2 3.27Å; R400-D410 VanDerWaalsContact NH1-CG 3.33Å; R400-D410 IonicContact NH1-OD1 3.81Å; R400-D410 PolarHBondContact NH1-OD1 3.35Å; R400-D410 IonicContact NH1-OD2 2.74Å; R400-D410 PolarHBondContact NH1-OD2 2.87Å; R400-D410 IonicContact NH2-OD1 2.69Å; R400-D410 PolarHBondContact NH2-OD1 3.38Å; R400-D410 IonicContact NH2-OD2 2.82Å; R400-D410 PolarHBondContact NH2-OD2 2.64Å; P405-D410 HydrophobicContact CB-CB 3.5Å; P405-D410 VanDerWaalsContact CB-CB 3.5Å; P405-D410 HydrophobicContact CG-CB 4.32Å; D406-D410 PolarHBondContact O-N 3.32Å; D410-F412 VanDerWaalsContact C-N 3.31Å; D410-F412 PolarHBondContact O-N 2.89Å; D410-F412 WeakPolarHBondContact OD2-CA 3.45Å; D410-F412 WeakPolarHBondContact OD2-CB 3.48Å; D410-F412 PolarHBondContact OD2-N 3.44Å; D410-F412 VanDerWaalsContact OD2-N 3.13Å; D410-E413 HydrophobicContact CB-CB 4.45Å; D410-E413 PolarHBondContact O-N 3.42Å; D410-E413 PolarHBondContact OD2-N 2.97Å; D410-N414 WeakPolarHBondContact O-CB 3.46Å; D410-N414 PolarHBondContact O-N 3Å
411L86.6Confident84.6Confident48 Ų4862.6 Ų62.625%0.25131%0.305SS..Hα-helixtrans-68.8-28.7-175.6-67.8175.8000113.1P158 Q159 F343 R415P158-L411 HydrophobicContact CB-CD1 3.81Å; P158-L411 HydrophobicContact CB-CG 4.32Å; P158-L411 WeakPolarHBondContact O-CD1 3.11Å; Q159-L411 HydrophobicContact CG-CD1 4.14Å; F343-L411 HydrophobicContact CZ-CB 4.22Å; L411-R415 VanDerWaalsContact O-CB 3.25Å; L411-R415 WeakPolarHBondContact O-CB 3.46Å; L411-R415 PolarHBondContact O-N 3.12Å
412F91.2Very high83.9Confident0 Ų067.3 Ų67.30%033%0.326CS..Hα-helixtrans-71.2-46.8178171.3-81000110.8P215 F343 I346 V347 L350 Y353 F396 R400 D410 N414 R415 A416P215-F412 HydrophobicContact CB-CB 4.41Å; P215-F412 HydrophobicContact CG-CB 3.83Å; P215-F412 HydrophobicContact CG-CD2 3.63Å; P215-F412 HydrophobicContact CG-CE2 4.47Å; P215-F412 HydrophobicContact CG-CG 3.92Å; F343-F412 HydrophobicContact CE2-CB 4.31Å; F343-F412 HydrophobicContact CZ-CB 4.49Å; I346-F412 HydrophobicContact CG2-CD2 4.37Å; I346-F412 HydrophobicContact CG2-CE2 4.02Å; V347-F412 HydrophobicContact CB-CD2 4.38Å; V347-F412 HydrophobicContact CB-CE2 4.4Å; V347-F412 HydrophobicContact CG2-CD2 3.58Å; V347-F412 HydrophobicContact CG2-CE2 4.06Å; V347-F412 HydrophobicContact CG2-CG 4.35Å; L350-F412 HydrophobicContact CB-CE2 4.13Å; L350-F412 HydrophobicContact CB-CZ 3.82Å; Y353-F412 HydrophobicContact CD1-CE1 4.31Å; Y353-F412 AromaticContact CE1-CE1 3.96Å; Y353-F412 HydrophobicContact CE1-CE1 3.96Å; F396-F412 HydrophobicContact CE1-CE1 4.21Å; F396-F412 HydrophobicContact CE1-CE2 4.18Å; F396-F412 AromaticContact CE1-CZ 3.85Å; F396-F412 HydrophobicContact CE1-CZ 3.85Å; F396-F412 HydrophobicContact CZ-CD1 4.17Å; F396-F412 HydrophobicContact CZ-CD2 4.08Å; F396-F412 AromaticContact CZ-CE1 3.96Å; F396-F412 HydrophobicContact CZ-CE1 3.96Å; F396-F412 AromaticContact CZ-CE2 3.87Å; F396-F412 HydrophobicContact CZ-CE2 3.87Å; F396-F412 HydrophobicContact CZ-CG 4.23Å; F396-F412 AromaticContact CZ-CZ 3.81Å; F396-F412 HydrophobicContact CZ-CZ 3.81Å; R400-F412 VanDerWaalsContact NH1-CD1 3.32Å; D410-F412 VanDerWaalsContact C-N 3.31Å; D410-F412 PolarHBondContact O-N 2.89Å; D410-F412 WeakPolarHBondContact OD2-CA 3.45Å; D410-F412 WeakPolarHBondContact OD2-CB 3.48Å; D410-F412 PolarHBondContact OD2-N 3.44Å; D410-F412 VanDerWaalsContact OD2-N 3.13Å; F412-N414 VanDerWaalsContact C-N 3.32Å; F412-N414 PolarHBondContact O-N 2.9Å; F412-R415 PolarHBondContact O-N 3.31Å; F412-A416 WeakPolarHBondContact O-CB 3.39Å; F412-A416 PolarHBondContact O-N 3.05Å
413E90.4Very high82.7Confident9 Ų961.9 Ų61.94%0.04231%0.311CS..Hα-helixtrans-64.1-38.9173.7-69.5-42.1139.400111.5Y353 R400 P405 Q407 D410 S417 R420Y353-E413 VanDerWaalsContact CE1-OE1 3.29Å; Y353-E413 WeakPolarHBondContact CE1-OE1 3.42Å; Y353-E413 VanDerWaalsContact OH-CD 3.28Å; Y353-E413 PolarHBondContact OH-OE1 3.37Å; R400-E413 IonicContact CZ-OE1 2.79Å; R400-E413 IonicContact NH1-OE1 2.78Å; R400-E413 PolarHBondContact NH1-OE1 2.77Å; P405-E413 HydrophobicContact CB-CG 4.49Å; Q407-E413 HydrophobicContact CB-CB 4.29Å; Q407-E413 HydrophobicContact CG-CB 3.96Å; Q407-E413 WeakPolarHBondContact CG-O 3.35Å; D410-E413 HydrophobicContact CB-CB 4.45Å; D410-E413 PolarHBondContact O-N 3.42Å; D410-E413 PolarHBondContact OD2-N 2.97Å; E413-S417 WeakPolarHBondContact O-CB 3.41Å; E413-S417 PolarHBondContact O-N 2.96Å; E413-R420 IonicContact OE2-NH1 2.7Å; E413-R420 IonicContact OE2-NH2 3.46Å
414N90.1Very high81.3Confident47 Ų4758.8 Ų58.825%0.25130%0.303SS..Hα-helixtrans-57.5-51.6174.2-159.6-82.6000111Q407 D410 F412 S417 Q418Q407-N414 WeakPolarHBondContact O-CB 3.31Å; Q407-N414 PolarHBondContact O-ND2 3.01Å; D410-N414 WeakPolarHBondContact O-CB 3.46Å; D410-N414 PolarHBondContact O-N 3Å; F412-N414 VanDerWaalsContact C-N 3.32Å; F412-N414 PolarHBondContact O-N 2.9Å; N414-S417 PolarHBondContact O-N 2.79Å; N414-Q418 WeakPolarHBondContact O-CG 3.09Å; N414-Q418 PolarHBondContact O-N 3.46Å; N414-Q418 PolarHBondContact OD1-NE2 3.08Å
415R89.4Confident79.4Confident54 Ų5462 Ų6220%0.20432%0.316CS..Hα-helixtrans-69.7-42-177.6-167.868-178118.916.2112.6F343 E344 V347 L411 F412 S417 Q418 L419F343-R415 HydrophobicContact CE1-CB 4.13Å; F343-R415 HydrophobicContact CE1-CG 4.1Å; F343-R415 HydrophobicContact CZ-CB 4.33Å; E344-R415 IonicContact OE1-CZ 3.07Å; E344-R415 IonicContact OE1-NE 2.76Å; E344-R415 PolarHBondContact OE1-NE 3.04Å; E344-R415 IonicContact OE1-NH2 2.93Å; E344-R415 IonicContact OE2-CZ 3.11Å; E344-R415 IonicContact OE2-NE 3.82Å; E344-R415 PolarHBondContact OE2-NE 3.12Å; E344-R415 IonicContact OE2-NH2 2.73Å; E344-R415 PolarHBondContact OE2-NH2 2.83Å; V347-R415 HydrophobicContact CB-CG 4.46Å; V347-R415 HydrophobicContact CG1-CB 4.09Å; V347-R415 HydrophobicContact CG1-CG 3.94Å; V347-R415 HydrophobicContact CG2-CB 4.26Å; V347-R415 HydrophobicContact CG2-CG 4.25Å; L411-R415 VanDerWaalsContact O-CB 3.25Å; L411-R415 WeakPolarHBondContact O-CB 3.46Å; L411-R415 PolarHBondContact O-N 3.12Å; F412-R415 PolarHBondContact O-N 3.31Å; R415-S417 VanDerWaalsContact C-N 3.31Å; R415-S417 PolarHBondContact O-N 2.82Å; R415-Q418 WeakPolarHBondContact O-CB 3.44Å; R415-Q418 PolarHBondContact O-N 2.98Å; R415-L419 WeakPolarHBondContact O-CG 3.3Å; R415-L419 PolarHBondContact O-N 2.91Å
416A90.2Very high77.6Confident2 Ų264.3 Ų64.32%0.01733%0.329CS..Hα-helixtrans-59.7-43.3174.400000111V347 F412 L419 R420V347-A416 HydrophobicContact CG1-CB 4.01Å; F412-A416 WeakPolarHBondContact O-CB 3.39Å; F412-A416 PolarHBondContact O-N 3.05Å; A416-L419 PolarHBondContact O-N 2.89Å; A416-R420 WeakPolarHBondContact O-CG 3.45Å; A416-R420 PolarHBondContact O-N 2.72Å
417S87.7Confident75.3Confident31 Ų3163.3 Ų63.322%0.21732%0.32CS..Hα-helixtrans-68.6-35.9177.5-145.90000113Q407 E413 N414 R415 R420 G421Q407-S417 PolarHBondContact OE1-OG 3.4Å; E413-S417 WeakPolarHBondContact O-CB 3.41Å; E413-S417 PolarHBondContact O-N 2.96Å; N414-S417 PolarHBondContact O-N 2.79Å; R415-S417 VanDerWaalsContact C-N 3.31Å; R415-S417 PolarHBondContact O-N 2.82Å; S417-R420 PolarHBondContact O-N 3.35Å; S417-R420 PolarHBondContact OG-NH2 2.97Å; S417-G421 PolarHBondContact O-N 2.92Å
418Q87.4Confident72.9Confident78 Ų7868.7 Ų68.736%0.36434%0.344SS..Hα-helixtrans-57.9-47.3169.7-70.9171.324.700111.6N414 R415 G421 Q422N414-Q418 WeakPolarHBondContact O-CG 3.09Å; N414-Q418 PolarHBondContact O-N 3.46Å; N414-Q418 PolarHBondContact OD1-NE2 3.08Å; R415-Q418 WeakPolarHBondContact O-CB 3.44Å; R415-Q418 PolarHBondContact O-N 2.98Å; Q418-G421 PolarHBondContact O-N 2.81Å; Q418-Q422 WeakPolarHBondContact O-CG 3.41Å; Q418-Q422 PolarHBondContact O-N 2.86Å
419L82.6Confident70.6Confident22 Ų2271 Ų7112%0.11535%0.35CS..Hα-helixtrans-65.4-42.5179.1-66.9177.1000111.7V347 R415 A416 G421 Q422 A423 I438V347-L419 HydrophobicContact CG1-CD1 3.83Å; R415-L419 WeakPolarHBondContact O-CG 3.3Å; R415-L419 PolarHBondContact O-N 2.91Å; A416-L419 PolarHBondContact O-N 2.89Å; L419-G421 VanDerWaalsContact C-N 3.27Å; L419-G421 PolarHBondContact O-N 2.81Å; L419-Q422 PolarHBondContact O-N 2.76Å; L419-A423 WeakPolarHBondContact O-CB 3.46Å; L419-A423 PolarHBondContact O-N 3.16Å; L419-I438 HydrophobicContact CD2-CD1 4.31Å
420R80.8Confident68.1Low29 Ų2972.9 Ų72.911%0.10935%0.354CS..Hα-helixtrans-60.4-35.2172.8-68.1179.9-55.4-1237.9111.9G351 T354 E413 A416 S417 K424G351-R420 PolarHBondContact O-NH1 2.72Å; T354-R420 PolarHBondContact OG1-NH1 3.43Å; E413-R420 IonicContact OE2-NH1 2.7Å; E413-R420 IonicContact OE2-NH2 3.46Å; A416-R420 WeakPolarHBondContact O-CG 3.45Å; A416-R420 PolarHBondContact O-N 2.72Å; S417-R420 PolarHBondContact O-N 3.35Å; S417-R420 PolarHBondContact OG-NH2 2.97Å; R420-K424 WeakPolarHBondContact O-CG 3.38Å; R420-K424 PolarHBondContact O-N 3.26Å; R420-K424 VanDerWaalsContact O-N 3.07Å
421G77.3Confident65.4Low30 Ų3075.7 Ų75.731%0.30938%0.381SS..Hα-helixtrans-69-46.1173.600000113.5S417 Q418 L419 A423 K424 N425S417-G421 PolarHBondContact O-N 2.92Å; Q418-G421 PolarHBondContact O-N 2.81Å; L419-G421 VanDerWaalsContact C-N 3.27Å; L419-G421 PolarHBondContact O-N 2.81Å; G421-A423 VanDerWaalsContact C-N 3.31Å; G421-A423 PolarHBondContact O-N 2.86Å; G421-K424 PolarHBondContact O-N 3.11Å; G421-N425 PolarHBondContact O-N 3.15Å; G421-N425 VanDerWaalsContact O-N 3.09Å
422Q72.5Confident62.9Low108 Ų10875.6 Ų75.651%0.50538%0.382SS..Hα-helixtrans-61.6-39.6175.5-71.8176.1-7.400111.8Q418 L419 T426Q418-Q422 WeakPolarHBondContact O-CG 3.41Å; Q418-Q422 PolarHBondContact O-N 2.86Å; L419-Q422 PolarHBondContact O-N 2.76Å; Q422-T426 PolarHBondContact O-N 3.19Å; Q422-T426 PolarHBondContact O-OG1 3.37Å
423A61.6Low60.5Low24 Ų2477.1 Ų77.120%0.19839%0.392CS..Hα-helixtrans-58.6-54.4171.300000111.3L419 G421 N425 T426 Y427L419-A423 WeakPolarHBondContact O-CB 3.46Å; L419-A423 PolarHBondContact O-N 3.16Å; G421-A423 VanDerWaalsContact C-N 3.31Å; G421-A423 PolarHBondContact O-N 2.86Å; A423-N425 VanDerWaalsContact C-N 3.31Å; A423-N425 PolarHBondContact O-N 2.87Å; A423-T426 CarbonylContact O-C 3.22Å; A423-T426 WeakPolarHBondContact O-CA 3.47Å; A423-T426 WeakPolarHBondContact O-CB 3.42Å; A423-T426 PolarHBondContact O-N 3Å; A423-Y427 HydrophobicContact CB-CD2 3.91Å; A423-Y427 HydrophobicContact CB-CE2 3.82Å; A423-Y427 WeakPolarHBondContact O-CD2 3.48Å; A423-Y427 PolarHBondContact O-N 2.82Å
424K53.8Low57.9Low148 Ų14878 Ų7864%0.64340%0.399SS*.Hα-helixtrans-55.5-42.5-179.2-76.1172.7-178-178.10113R420 G421 T426 Y427R420-K424 WeakPolarHBondContact O-CG 3.38Å; R420-K424 PolarHBondContact O-N 3.26Å; R420-K424 VanDerWaalsContact O-N 3.07Å; G421-K424 PolarHBondContact O-N 3.11Å; K424-T426 PolarHBondContact O-N 3.5Å; K424-Y427 PolarHBondContact O-N 3.24Å; K424-Y427 VanDerWaalsContact O-N 3.17Å
425N44.6Very low55.7Low155 Ų15576.8 Ų76.883%0.82939%0.392SS*.Hα-helixtrans-69-14.5177.1-68.8-0.2000114G421 A423G421-N425 PolarHBondContact O-N 3.15Å; G421-N425 VanDerWaalsContact O-N 3.09Å; A423-N425 VanDerWaalsContact C-N 3.31Å; A423-N425 PolarHBondContact O-N 2.87Å
426T46.3Very low53.2Low95 Ų9574.7 Ų74.758%0.58339%0.386SS*.Hα-helixtrans-96.6-18.2175.3-47.90000112Q422 A423 K424 H428Q422-T426 PolarHBondContact O-N 3.19Å; Q422-T426 PolarHBondContact O-OG1 3.37Å; A423-T426 CarbonylContact O-C 3.22Å; A423-T426 WeakPolarHBondContact O-CA 3.47Å; A423-T426 WeakPolarHBondContact O-CB 3.42Å; A423-T426 PolarHBondContact O-N 3Å; K424-T426 PolarHBondContact O-N 3.5Å; T426-H428 PolarHBondContact O-N 3.44Å
427Y31.4Very low50.6Low62 Ų6276.8 Ų76.824%0.24340%0.4CS..  trans-105.877.5-166.8-72.6-50.9000115.4A423 K424 Y429 K430 T432A423-Y427 HydrophobicContact CB-CD2 3.91Å; A423-Y427 HydrophobicContact CB-CE2 3.82Å; A423-Y427 WeakPolarHBondContact O-CD2 3.48Å; A423-Y427 PolarHBondContact O-N 2.82Å; K424-Y427 PolarHBondContact O-N 3.24Å; K424-Y427 VanDerWaalsContact O-N 3.17Å; Y427-Y429 PolarHBondContact O-N 2.94Å; Y427-K430 WeakPolarHBondContact CD1-O 3.44Å; Y427-K430 WeakPolarHBondContact CE1-O 3.34Å; Y427-T432 PolarHBondContact OH-O 3.47Å
428H28.5Very low48.2Very low200 Ų20077 Ų7793%0.92640%0.398SS*.SBendtrans-72.64.4141-128.4-61.8000112.4T426T426-H428 PolarHBondContact O-N 3.44Å
429Y26.9Very low45.6Very low204 Ų20475.7 Ų75.780%0.839%0.392SS*.SBendtrans-13850.1-171-135.8-88.1000114.9Y427Y427-Y429 PolarHBondContact O-N 2.94Å
430K26.3Very low43.2Very low158 Ų15877.7 Ų77.769%0.68741%0.405SS*.  trans68.1141.5168.4-65.1-177.2173-177.80118Y427 T432Y427-K430 WeakPolarHBondContact CD1-O 3.44Å; Y427-K430 WeakPolarHBondContact CE1-O 3.34Å; K430-T432 PolarHBondContact O-N 3.07Å; K430-T432 VanDerWaalsContact O-N 3.16Å; K430-T432 PolarHBondContact O-OG1 3.18Å
431A27.4Very low40.9Very low86 Ų8678.8 Ų78.871%0.71142%0.417SS*.  trans-50115.7175.100000112
432T35.4Very low38.7Very low45 Ų4579.5 Ų79.528%0.27642%0.417SS..  trans-151.2108168.3-38.70000109.2S376 Y427 K430 S434S376-T432 VanDerWaalsContact OG-CG2 3.24Å; S376-T432 WeakPolarHBondContact OG-CG2 3.32Å; Y427-T432 PolarHBondContact OH-O 3.47Å; K430-T432 PolarHBondContact O-N 3.07Å; K430-T432 VanDerWaalsContact O-N 3.16Å; K430-T432 PolarHBondContact O-OG1 3.18Å; T432-S434 PolarHBondContact O-N 3.25Å
433V39.5Very low36.7Very low33 Ų3377.8 Ų77.820%0.241%0.411CS..  trans-77.964.9164.4-174.80000107.9C352C352-V433 HydrophobicContact CB-CB 4.4Å; C352-V433 HydrophobicContact CB-CG2 4.01Å
434S36.9Very low35.3Very low28 Ų2880.2 Ų80.220%0.19643%0.426CS..  trans-84154174.967.30000110.3T432 G436 P437T432-S434 PolarHBondContact O-N 3.25Å; S434-G436 PolarHBondContact O-N 3.18Å; S434-G436 VanDerWaalsContact O-N 3.15Å; S434-P437 WeakPolarHBondContact O-CD 3.44Å; S434-P437 WeakPolarHBondContact OG-CD 3.29Å
435F42.8Very low34.2Very low21 Ų2179.3 Ų79.39%0.09243%0.428CS..SBendtrans-64.9-12.5171.9-68.3-94.9000113.5L349 C377 L380 F439 F464L349-F435 HydrophobicContact CD2-CZ 4.13Å; C377-F435 HydrophobicContact CB-CD2 3.84Å; C377-F435 HydrophobicContact CB-CE2 3.91Å; L380-F435 HydrophobicContact CD2-CE2 3.78Å; L380-F435 HydrophobicContact CD2-CZ 3.87Å; F435-F439 HydrophobicContact CB-CD2 4.28Å; F435-F439 HydrophobicContact CB-CE2 4.36Å; F435-F439 WeakPolarHBondContact O-CD2 3.49Å; F435-F439 PolarHBondContact O-N 3.37Å; F435-F464 HydrophobicContact CB-CD1 4.22Å; F435-F464 HydrophobicContact CB-CE1 4.27Å
436G36.9Very low33.7Very low9 Ų977.3 Ų77.39%0.09342%0.417CS..THydrogen-bonded Turntrans-60.9-46.3-171.500000116.6S434 T440S434-G436 PolarHBondContact O-N 3.18Å; S434-G436 VanDerWaalsContact O-N 3.15Å; G436-T440 PolarHBondContact O-OG1 3.17Å
437P35.9Very low32.9Very low46 Ų4677 Ų7730%0.29942%0.424SS..THydrogen-bonded Turntrans-70.4-32.3-177.8-20.734.1000113S434 T440 S441S434-P437 WeakPolarHBondContact O-CD 3.44Å; S434-P437 WeakPolarHBondContact OG-CD 3.29Å; P437-T440 PolarHBondContact O-N 3.12Å; P437-T440 PolarHBondContact O-OG1 2.91Å; P437-S441 WeakPolarHBondContact O-CB 3.36Å; P437-S441 PolarHBondContact O-N 3.4Å; P437-S441 PolarHBondContact O-OG 3.42Å
438I38.1Very low32.8Very low35 Ų3577.5 Ų77.518%0.17944%0.436CS..Hα-helixtrans-75.6-34.7-174.7-62.1177000111F298 N348 L419 T440 S442F298-I438 HydrophobicContact CE2-CG2 4.47Å; N348-I438 WeakPolarHBondContact OD1-CD1 3.36Å; L419-I438 HydrophobicContact CD2-CD1 4.31Å; I438-T440 PolarHBondContact O-N 3.27Å; I438-T440 VanDerWaalsContact O-N 3.14Å; I438-S442 VanDerWaalsContact O-CB 3.27Å; I438-S442 WeakPolarHBondContact O-CB 3.19Å; I438-S442 PolarHBondContact O-N 2.87Å; I438-S442 PolarHBondContact O-OG 3.43Å
439F33.1Very low32.7Very low52 Ų5273.7 Ų73.723%0.22842%0.423CS..Hα-helixtrans-68.30.6170.1-85.4-67.6000114.5F298 F435 L443 N463F298-F439 HydrophobicContact CB-CZ 3.99Å; F298-F439 HydrophobicContact CD2-CE1 4.36Å; F298-F439 HydrophobicContact CD2-CE2 4.22Å; F298-F439 AromaticContact CD2-CZ 3.85Å; F298-F439 HydrophobicContact CD2-CZ 3.85Å; F298-F439 HydrophobicContact CG-CZ 4.43Å; F435-F439 HydrophobicContact CB-CD2 4.28Å; F435-F439 HydrophobicContact CB-CE2 4.36Å; F435-F439 WeakPolarHBondContact O-CD2 3.49Å; F435-F439 PolarHBondContact O-N 3.37Å; F439-L443 VanDerWaalsContact O-CD1 3.25Å; F439-L443 WeakPolarHBondContact O-CD1 3.35Å; F439-N463 PolarHBondContact O-ND2 3.38Å; F439-N463 VanDerWaalsContact O-ND2 3.14Å
440T31.7Very low32.8Very low64 Ų6468.8 Ų68.839%0.39342%0.418SS..Hα-helixtrans-125-41.817550.30000113.1G436 P437 I438 L443 S444G436-T440 PolarHBondContact O-OG1 3.17Å; P437-T440 PolarHBondContact O-N 3.12Å; P437-T440 PolarHBondContact O-OG1 2.91Å; I438-T440 PolarHBondContact O-N 3.27Å; I438-T440 VanDerWaalsContact O-N 3.14Å; T440-L443 PolarHBondContact O-N 3.1Å; T440-S444 PolarHBondContact O-N 3.49Å; T440-S444 VanDerWaalsContact O-N 3.08Å; T440-S444 PolarHBondContact O-OG 2.99Å
441S31.7Very low33Very low51 Ų5166.4 Ų66.436%0.35742%0.417SS..Hα-helixtrans-67-34.9175.755.60000113.7P437 L443 S444P437-S441 WeakPolarHBondContact O-CB 3.36Å; P437-S441 PolarHBondContact O-N 3.4Å; P437-S441 PolarHBondContact O-OG 3.42Å; S441-L443 VanDerWaalsContact C-N 3.3Å; S441-L443 PolarHBondContact O-N 2.98Å; S441-S444 WeakPolarHBondContact CA-OG 3.22Å; S441-S444 PolarHBondContact O-OG 3.07Å
442S32Very low32.8Very low45 Ų4572.3 Ų72.332%0.31543%0.427SS..Hα-helixtrans-72.4-23.8175.1-48.60000112.9I438I438-S442 VanDerWaalsContact O-CB 3.27Å; I438-S442 WeakPolarHBondContact O-CB 3.19Å; I438-S442 PolarHBondContact O-N 2.87Å; I438-S442 PolarHBondContact O-OG 3.43Å
443L30.9Very low32.4Very low73 Ų7380.2 Ų80.238%0.38245%0.453SS..Hα-helixtrans-84.1-38.8178.2-65.1-178.4000112.1F439 T440 S441 A447F439-L443 VanDerWaalsContact O-CD1 3.25Å; F439-L443 WeakPolarHBondContact O-CD1 3.35Å; T440-L443 PolarHBondContact O-N 3.1Å; S441-L443 VanDerWaalsContact C-N 3.3Å; S441-L443 PolarHBondContact O-N 2.98Å; L443-A447 VanDerWaalsContact O-CB 3.29Å; L443-A447 WeakPolarHBondContact O-CB 3.26Å; L443-A447 PolarHBondContact O-N 3.08Å
444S31.7Very low31.7Very low75 Ų7584.5 Ų84.552%0.52448%0.475SS..Hα-helixtrans-70.1-33-175.341.40000114T440 S441 I446T440-S444 PolarHBondContact O-N 3.49Å; T440-S444 VanDerWaalsContact O-N 3.08Å; T440-S444 PolarHBondContact O-OG 2.99Å; S441-S444 WeakPolarHBondContact CA-OG 3.22Å; S441-S444 PolarHBondContact O-OG 3.07Å; S444-I446 PolarHBondContact O-N 3.15Å
445N30.9Very low31.4Very low128 Ų12891.1 Ų91.168%0.68451%0.507SS*.THydrogen-bonded Turntrans-84.4-1.4-178-73-32.1000115.2
446I33.7Very low30.5Very low114 Ų11498.2 Ų98.259%0.58554%0.538SS*.THydrogen-bonded Turntrans-120.8-26.3179.5-60.5178.3000111.9S444 S448S444-I446 PolarHBondContact O-N 3.15Å; I446-S448 PolarHBondContact O-N 3.35Å; I446-S448 VanDerWaalsContact O-N 3.08Å
447A30Very low30.2Very low88 Ų88106.4 Ų106.473%0.72758%0.579SS**THydrogen-bonded Turntrans-70.1-1.2-177.100000115.7L443L443-A447 VanDerWaalsContact O-CB 3.29Å; L443-A447 WeakPolarHBondContact O-CB 3.26Å; L443-A447 PolarHBondContact O-N 3.08Å
448S28.6Very low29.8Very low72 Ų72107.3 Ų107.350%0.50360%0.597SS.*THydrogen-bonded Turntrans-85.6-0.9-174.446.10000115.3I446 L1006I446-S448 PolarHBondContact O-N 3.35Å; I446-S448 VanDerWaalsContact O-N 3.08Å; S448-L1006 VanDerWaalsContact OG-CD2 3.31Å; S448-L1006 WeakPolarHBondContact OG-CD2 3.2Å
449N26.5Very low29.8Very low121 Ų121114.7 Ų114.765%0.64763%0.63SS**SBendtrans-139.855.1-169.7-145.22.6000117.4L1006N449-L1006 HydrophobicContact CB-CD1 4.09Å; N449-L1006 HydrophobicContact CB-CD2 3.62Å; N449-L1006 HydrophobicContact CB-CG 4.5Å; N449-L1006 VanDerWaalsContact CG-CD1 3.42Å; N449-L1006 WeakPolarHBondContact OD1-CD1 3.14Å
450S29.2Very low29.9Very low101 Ų101121 Ų12171%0.70666%0.657SS**SBendtrans-162.4133.9151.4-167.30000113.8
451T30.2Very low30.2Very low108 Ų108127.2 Ų127.266%0.66368%0.679SS**  trans41.295.3150.354.50000118.5Y453T451-Y453 PolarHBondContact O-N 3.39Å
452K23.9Very low30.7Very low209 Ų209131.3 Ų131.391%0.90969%0.687SS**  trans-57.594.6165-177.5-174.3-176.8-177.60112.4
453Y26.9Very low31.2Very low211 Ų211132 Ų13283%0.82769%0.687SS**  trans-121.5107.1162.7-83.5-78.4000109.6T451T451-Y453 PolarHBondContact O-N 3.39Å
454D24.5Very low31.5Very low123 Ų123131.1 Ų131.166%0.65868%0.681SS**  trans-88.6106.7-177.2-175.516.9000110K456D454-K456 VanDerWaalsContact OD2-CE 3.31Å; D454-K456 WeakPolarHBondContact OD2-CE 3.44Å
455L29.7Very low32.3Very low168 Ų168128.5 Ų128.588%0.8867%0.666SS**  trans-122.390.4175-99.9168.1000109.9L457L455-L457 PolarHBondContact O-N 3.15Å
456K24.7Very low33.2Very low169 Ų169123 Ų12374%0.73564%0.637SS**  trans-70.9106.2178.2-61.3170.9-175.11690110.9D454D454-K456 VanDerWaalsContact OD2-CE 3.31Å; D454-K456 WeakPolarHBondContact OD2-CE 3.44Å
457L30.5Very low33.9Very low181 Ų181121.4 Ų121.495%0.94863%0.634SS**  trans-160.9136.4149.1-107155.6000109.5L455L455-L457 PolarHBondContact O-N 3.15Å
458G27Very low34.9Very low66 Ų66121.5 Ų121.568%0.6862%0.62SS**  trans-104.1126.9-15400000116.1
459H37.4Very low36.3Very low189 Ų189120.6 Ų120.688%0.87561%0.605SS**  trans-143114.5145.8-87.4-74.2000109.3K461H459-K461 PolarHBondContact O-N 3.42Å
460K35.2Very low37.5Very low185 Ų185118.7 Ų118.780%0.80460%0.595SS**  trans-67.9105.5175.7-76.8-173.6176.4-179.40110Y462K460-Y462 PolarHBondContact O-N 2.83Å
461K38.9Very low38.5Very low194 Ų194122 Ų12284%0.84359%0.592SS**PPolyproline II helixtrans-72.4116.8167.1-68.2-178179.7177.80108.7H459H459-K461 PolarHBondContact O-N 3.42Å
462Y42Very low39.5Very low138 Ų138120.2 Ų120.254%0.54159%0.588SS.*PPolyproline II helixtrans-78.8118.4173.6-58.9-74.5000109.7K460 E468K460-Y462 PolarHBondContact O-N 2.83Å; Y462-E468 HydrophobicContact CD1-CB 3.72Å; Y462-E468 HydrophobicContact CE1-CB 3.99Å
463N43.1Very low40.7Very low58 Ų58116.9 Ų116.931%0.3157%0.573SS.*PPolyproline II helixtrans-66141.7175-75.51.8000110.5F439 G465 S466 W469F439-N463 PolarHBondContact O-ND2 3.38Å; F439-N463 VanDerWaalsContact O-ND2 3.14Å; N463-G465 PolarHBondContact O-N 2.89Å; N463-S466 WeakPolarHBondContact O-CB 3.32Å; N463-S466 PolarHBondContact O-N 2.82Å; N463-S466 VanDerWaalsContact O-N 3.07Å; N463-S466 PolarHBondContact O-OG 2.96Å; N463-W469 WeakPolarHBondContact O-CB 3.43Å
464F36.4Very low41.2Very low55 Ų55115.8 Ų115.824%0.24157%0.573CS.*THydrogen-bonded Turntrans-60129.3179.6-174.1-98.4000110.6C377 F435 S466 W469C377-F464 HydrophobicContact CB-CE1 4.23Å; C377-F464 HydrophobicContact CB-CZ 4.21Å; C377-F464 WeakPolarHBondContact SG-CZ 3.5Å; F435-F464 HydrophobicContact CB-CD1 4.22Å; F435-F464 HydrophobicContact CB-CE1 4.27Å; F464-S466 VanDerWaalsContact C-N 3.31Å; F464-S466 PolarHBondContact O-N 3.23Å; F464-W469 AromaticContact CD2-CE2 3.94Å; F464-W469 HydrophobicContact CD2-CH2 4.21Å; F464-W469 AromaticContact CD2-CZ2 3.72Å; F464-W469 HydrophobicContact CD2-CZ2 3.72Å; F464-W469 AromaticContact CE2-CH2 3.64Å; F464-W469 HydrophobicContact CE2-CH2 3.64Å; F464-W469 AromaticContact CE2-CZ2 3.48Å; F464-W469 HydrophobicContact CE2-CZ2 3.48Å; F464-W469 VanDerWaalsContact CE2-CZ2 3.48Å; F464-W469 HydrophobicContact CE2-CZ3 4.45Å; F464-W469 HydrophobicContact CZ-CH2 4.22Å; F464-W469 HydrophobicContact CZ-CZ2 4.47Å
465G48.6Very low42Very low21 Ų21115 Ų11522%0.21657%0.568CS.*THydrogen-bonded Turntrans75.95.6-176.300000116N463N463-G465 PolarHBondContact O-N 2.89Å
466S50.7Low42.3Very low11 Ų11116.3 Ų116.38%0.07757%0.567CS.*  trans-67.5155.1173.5630000112.6N463 F464 E468 W469 L470N463-S466 WeakPolarHBondContact O-CB 3.32Å; N463-S466 PolarHBondContact O-N 2.82Å; N463-S466 VanDerWaalsContact O-N 3.07Å; N463-S466 PolarHBondContact O-OG 2.96Å; F464-S466 VanDerWaalsContact C-N 3.31Å; F464-S466 PolarHBondContact O-N 3.23Å; S466-E468 WeakPolarHBondContact CB-OE2 3.42Å; S466-E468 PolarHBondContact O-N 2.81Å; S466-W469 WeakPolarHBondContact O-CB 3.49Å; S466-W469 PolarHBondContact O-N 2.95Å; S466-W469 VanDerWaalsContact OG-CB 3.26Å; S466-W469 WeakPolarHBondContact OG-CB 3.24Å; S466-W469 PolarHBondContact OG-N 3.42Å; S466-W469 VanDerWaalsContact OG-N 3.14Å; S466-L470 PolarHBondContact O-N 3.27Å
467P48.8Very low43Very low82 Ų82115.6 Ų115.653%0.53257%0.57SS.*Hα-helixtrans-58.8-27174.1-25.436.3000113.7R471P467-R471 WeakPolarHBondContact O-CB 3.2Å; P467-R471 VanDerWaalsContact O-CG 3.3Å; P467-R471 WeakPolarHBondContact O-CG 3.34Å; P467-R471 PolarHBondContact O-N 2.81Å; P467-R471 PolarHBondContact O-NE 3.34Å
468E49.4Very low43.1Very low89 Ų89112.3 Ų112.342%0.41656%0.56SS.*Hα-helixtrans-73.9-42.8172.4-60.563.8-130.700111.1Y462 S466 L470 R471 A472Y462-E468 HydrophobicContact CD1-CB 3.72Å; Y462-E468 HydrophobicContact CE1-CB 3.99Å; S466-E468 WeakPolarHBondContact CB-OE2 3.42Å; S466-E468 PolarHBondContact O-N 2.81Å; E468-L470 PolarHBondContact O-N 3.42Å; E468-R471 PolarHBondContact O-N 3.16Å; E468-R471 IonicContact OE1-NH2 2.62Å; E468-R471 PolarHBondContact OE1-NH2 2.97Å; E468-A472 VanDerWaalsContact O-CB 3.27Å; E468-A472 WeakPolarHBondContact O-CB 3.39Å; E468-A472 PolarHBondContact O-N 3.41Å
469W58.5Low43.5Very low53 Ų53112.4 Ų112.420%0.20156%0.561CS.*Hα-helixtrans-61.7-43.1177.5-175.494.2000111.8P378 N463 F464 S466 A472 K473P378-W469 HydrophobicContact CG-CH2 4.42Å; N463-W469 WeakPolarHBondContact O-CB 3.43Å; F464-W469 AromaticContact CD2-CE2 3.94Å; F464-W469 HydrophobicContact CD2-CH2 4.21Å; F464-W469 AromaticContact CD2-CZ2 3.72Å; F464-W469 HydrophobicContact CD2-CZ2 3.72Å; F464-W469 AromaticContact CE2-CH2 3.64Å; F464-W469 HydrophobicContact CE2-CH2 3.64Å; F464-W469 AromaticContact CE2-CZ2 3.48Å; F464-W469 HydrophobicContact CE2-CZ2 3.48Å; F464-W469 VanDerWaalsContact CE2-CZ2 3.48Å; F464-W469 HydrophobicContact CE2-CZ3 4.45Å; F464-W469 HydrophobicContact CZ-CH2 4.22Å; F464-W469 HydrophobicContact CZ-CZ2 4.47Å; S466-W469 WeakPolarHBondContact O-CB 3.49Å; S466-W469 PolarHBondContact O-N 2.95Å; S466-W469 VanDerWaalsContact OG-CB 3.26Å; S466-W469 WeakPolarHBondContact OG-CB 3.24Å; S466-W469 PolarHBondContact OG-N 3.42Å; S466-W469 VanDerWaalsContact OG-N 3.14Å; W469-A472 PolarHBondContact O-N 3.41Å; W469-K473 PolarHBondContact O-N 3.24Å
470L51.7Low43.2Very low81 Ų81115 Ų11542%0.42456%0.563SS.*Hα-helixtrans-64.3-43.7175.1-70.3169.9000112S466 E468 K473S466-L470 PolarHBondContact O-N 3.27Å; E468-L470 PolarHBondContact O-N 3.42Å; L470-K473 PolarHBondContact O-N 2.96Å
471R50.8Low43Very low172 Ų172113.8 Ų113.865%0.64956%0.564SS**Hα-helixtrans-63.9-43175.1-79.5178-76.2-178.5-1.3112.3P467 E468 K473 K474P467-R471 WeakPolarHBondContact O-CB 3.2Å; P467-R471 VanDerWaalsContact O-CG 3.3Å; P467-R471 WeakPolarHBondContact O-CG 3.34Å; P467-R471 PolarHBondContact O-N 2.81Å; P467-R471 PolarHBondContact O-NE 3.34Å; E468-R471 PolarHBondContact O-N 3.16Å; E468-R471 IonicContact OE1-NH2 2.62Å; E468-R471 PolarHBondContact OE1-NH2 2.97Å; R471-K473 PolarHBondContact O-N 3.04Å; R471-K474 PolarHBondContact O-N 2.68Å; R471-K474 VanDerWaalsContact O-N 3.1Å
472A51.5Low42.5Very low69 Ų69110.3 Ų110.357%0.5756%0.563SS**Hα-helixtrans-61.6-27.817800000113.1E468 W469E468-A472 VanDerWaalsContact O-CB 3.27Å; E468-A472 WeakPolarHBondContact O-CB 3.39Å; E468-A472 PolarHBondContact O-N 3.41Å; W469-A472 PolarHBondContact O-N 3.41Å
473K47.4Very low41.8Very low139 Ų139112.6 Ų112.660%0.60458%0.578SS**THydrogen-bonded Turntrans-82.5-0.9176.4-84.8-75-177.3176.80115.3W469 L470 R471 L475W469-K473 PolarHBondContact O-N 3.24Å; L470-K473 PolarHBondContact O-N 2.96Å; R471-K473 PolarHBondContact O-N 3.04Å; K473-L475 HydrophobicContact CB-CD1 4.39Å; K473-L475 HydrophobicContact CB-CG 4.25Å; K473-L475 PolarHBondContact O-N 3.43Å; K473-L475 VanDerWaalsContact O-N 3.1Å
474K39.3Very low41.2Very low189 Ų189119.7 Ų119.782%0.82261%0.606SS**THydrogen-bonded Turntrans52.925.2179.2-67.6-172.9175.7179.90115.2R471 K476R471-K474 PolarHBondContact O-N 2.68Å; R471-K474 VanDerWaalsContact O-N 3.1Å; K474-K476 PolarHBondContact O-N 3.04Å; K474-K476 VanDerWaalsContact O-N 3.12Å
475L40Very low40.8Very low105 Ų105120.6 Ų120.655%0.5563%0.632SS.*  trans-71.8105.8179.7-70.5173000111K473K473-L475 HydrophobicContact CB-CD1 4.39Å; K473-L475 HydrophobicContact CB-CG 4.25Å; K473-L475 PolarHBondContact O-N 3.43Å; K473-L475 VanDerWaalsContact O-N 3.1Å
476K35.7Very low39.9Very low197 Ų197127.6 Ų127.686%0.85766%0.663SS**  trans-77.2122.1168.6-71.2-174.9175.5-177.20109.8K474K474-K476 PolarHBondContact O-N 3.04Å; K474-K476 VanDerWaalsContact O-N 3.12Å
477N39.4Very low38.9Very low153 Ų153132.6 Ų132.682%0.81870%0.695SS**  trans58.667.1164.5-57.6-10000118
478P32.3Very low38.2Very low113 Ų113137.5 Ų137.573%0.73471%0.711SS**  trans-68.5139.5156.231.5-32.6000110.7
479G36.6Very low37.5Very low68 Ų68138.3 Ų138.370%0.70173%0.727SS**  trans97.342.7164.300000118.6
480R30.5Very low36.1Very low242 Ų242141.8 Ų141.891%0.91375%0.754SS**  trans-104.9116.2153.2-93.7-164.9177.2-145.40.7109.9
481I31.5Very low35.2Very low161 Ų161147.6 Ų147.683%0.82678%0.776SS**  trans-80131166-62.7171.2000107.7
482C27.6Very low34Very low120 Ų120150.7 Ų150.781%0.81179%0.788SS**  trans-90.8101.8175.2-75.10000110.6
483Q28.9Very low33Very low187 Ų187153.8 Ų153.887%0.87480%0.799SS**  trans-80.3124.6158.7-74.3178.9-32.200109.4
484K29Very low32Very low206 Ų206156.1 Ų156.190%0.89681%0.809SS**  trans-149139.4164.9-85.6-163.7173.1-173.70109.5
485G29.2Very low31.6Very low75 Ų75151.2 Ų151.277%0.77380%0.799SS**  trans90.7123.9-17000000111.1
486L29.7Very low31.1Very low168 Ų168154 Ų15488%0.8881%0.809SS**  cis-148.8141.1-5.7-171.471000108.4
487P28.9Very low31Very low116 Ų116150.5 Ų150.575%0.75381%0.809SS**  trans-103138.3-175.736.3-30000113.8
488E33.9Very low30.4Very low184 Ų184148.3 Ų148.386%0.8681%0.806SS**  trans-133.1143.2164.3-73.9-161.8130.400112.7
489S34.1Very low30.3Very low107 Ų107152.7 Ų152.775%0.74881%0.814SS**  trans63.690.4164.769.10000120.1
490T30.7Very low30Very low126 Ų126154.3 Ų154.377%0.77381%0.81SS**  38.6114.4129.752.60000121.4
491K31.7Very low29.8Very low203 Ų203152.4 Ų152.488%0.88380%0.803SS**  -167.4152.198.2-99.8158-172.6172.40114.5
492R25.7Very low29.8Very low237 Ų237151.5 Ų151.589%0.89480%0.8SS**  trans-47.7151.1-169.5-59.1165.8178.3173.1-1.8118.1
493V30.2Very low30.3Very low133 Ų133153 Ų15381%0.80680%0.798SS**  trans153.795.7134.4160.30000107
494K27.3Very low30.3Very low189 Ų189149.8 Ų149.882%0.82279%0.786SS**  44.2111.189.3-74.9-163175.5-167.90114.4
495S29.9Very low30.5Very low86 Ų86143.7 Ų143.760%0.60177%0.77SS**  cis-159.6-130.3-15.515.80000107.9
496E31Very low30.7Very low163 Ų163150 Ų15076%0.76277%0.77SS**  cis-162.1171-1.8-156.6106.9-87.100109.8
497S32.3Very low30.9Very low124 Ų124150.8 Ų150.887%0.86777%0.766SS**  trans70.4151.8178.380.80000117.7
498S27.7Very low31.1Very low107 Ų107149 Ų14975%0.74876%0.761SS**  trans-148.3142.2-164.459.50000112.9
499F28.8Very low31Very low205 Ų205147.4 Ų147.490%0.89975%0.754SS**  trans-145.5152.1156.9-120.2-85.6000112.2
500T31.7Very low30.9Very low101 Ų101150.3 Ų150.362%0.6276%0.756SS**  trans-102.6142.3-152.850.50000115.6
501W26.9Very low30.9Very low203 Ų203149.1 Ų149.177%0.76975%0.752SS**  trans-112.811.6176.1-104.685.8000115.4I503 L504W501-I503 PolarHBondContact O-N 2.92Å; W501-L504 HydrophobicContact CE3-CB 4.12Å; W501-L504 HydrophobicContact CE3-CD1 4.29Å; W501-L504 HydrophobicContact CH2-CD1 3.72Å; W501-L504 HydrophobicContact CZ3-CB 3.79Å; W501-L504 HydrophobicContact CZ3-CD1 3.4Å; W501-L504 VanDerWaalsContact CZ3-CD1 3.4Å; W501-L504 HydrophobicContact CZ3-CG 4.21Å
502N31.1Very low30.7Very low142 Ų142147.3 Ų147.376%0.75975%0.751SS**THydrogen-bonded Turntrans-69.65-173.1-78.4-7.5000116.3
503I37.2Very low30.9Very low151 Ų151142.6 Ų142.677%0.77475%0.749SS**THydrogen-bonded Turntrans-96.8-22.7-174.4-68.2176.1000113W501W501-I503 PolarHBondContact O-N 2.92Å
504L29.8Very low30.8Very low120 Ų120141.1 Ų141.163%0.62875%0.745SS**SBendtrans-100.3-5.3-174.5-93.1158.7000115.6W501W501-L504 HydrophobicContact CE3-CB 4.12Å; W501-L504 HydrophobicContact CE3-CD1 4.29Å; W501-L504 HydrophobicContact CH2-CD1 3.72Å; W501-L504 HydrophobicContact CZ3-CB 3.79Å; W501-L504 HydrophobicContact CZ3-CD1 3.4Å; W501-L504 VanDerWaalsContact CZ3-CD1 3.4Å; W501-L504 HydrophobicContact CZ3-CG 4.21Å
505S33.5Very low30.8Very low78 Ų78142.7 Ų142.755%0.54575%0.747SS.*SBendtrans-84.5-14.6177-157.90000114.4
506R32.8Very low30.6Very low206 Ų206148.8 Ų148.878%0.77776%0.762SS**SBendtrans-103.311.3-170.8-81.6-176.5169.7174-3.2115.9
507K33.1Very low30.6Very low185 Ų185145.7 Ų145.780%0.80476%0.759SS**SBendtrans-1235.4176.7-86.5-170.4173.3-1770115.4
508A33.1Very low30.5Very low78 Ų78147.1 Ų147.165%0.64576%0.757SS**SBendtrans-105.6-16.4176.400000113.8
509E33.1Very low30.5Very low151 Ų151151.1 Ų151.171%0.70676%0.761SS**SBendtrans-95.8-0.7-172-61.5179.6144.100113.6
510Q31.4Very low30.5Very low169 Ų169151.3 Ų151.379%0.7976%0.761SS**SBendtrans-100.321.5-177.9-68.6-173.3-36.500113.9
511S30.2Very low30.3Very low100 Ų100149.6 Ų149.670%0.69976%0.764SS**SBendtrans-132.211.9-172.3-51.50000115.2
512L28.8Very low30.2Very low165 Ų165145.1 Ų145.186%0.86476%0.764SS**SBendtrans-132.429.9-173.8-141.481.2000115
513V28.2Very low29.9Very low139 Ų139145.6 Ų145.684%0.84276%0.763SS**  trans-132.781.9175.2-172.60000111.2
514S28.6Very low29.4Very low102 Ų102144.4 Ų144.471%0.71376%0.759SS**  trans-177.7171154.845.20000110.8
515Y27.9Very low29.4Very low222 Ų222145.6 Ų145.687%0.87176%0.764SS**  trans63.459.7172-69.6-81.2000118.4
516K25.8Very low29Very low213 Ų213149.3 Ų149.393%0.92678%0.778SS**  trans-154.267.9146.3-127.8175.1-173.5179.50114.8
517S30.6Very low28.8Very low98 Ų98144.5 Ų144.569%0.68577%0.773SS**  trans-158.8133.7171.354.70000111.7
518N30.3Very low28.4Very low154 Ų154145 Ų14582%0.82478%0.775SS**  trans65123.2174.1-49.4-14.2000114
519K27.1Very low28.4Very low191 Ų191150.8 Ų150.883%0.8379%0.788SS**  cis71.3137.913-143.1-177.8-176.5-171.90115.3
520F29.6Very low28.2Very low209 Ų209147.5 Ų147.592%0.91779%0.787SS**  trans69.2142.2-157.9-59.3-85.9000113.4
521G26.1Very low28.1Very low65 Ų65144.8 Ų144.867%0.6778%0.784SS**  cis156.2144.4-7.400000112
522S26.5Very low28Very low110 Ų110147.3 Ų147.377%0.76979%0.788SS**  trans65.3136.4-172.6-78.40000114.1
523M24.4Very low28.1Very low152 Ų152147.6 Ų147.675%0.74979%0.787SS**  58.5127.574.1-56.6170.468.400110.5
524D25.4Very low28.2Very low126 Ų126145.3 Ų145.367%0.67478%0.783SS**  cis-161.8179.736.1-129.6-39.7000114.9
525I30.5Very low28.3Very low145 Ų145150.9 Ų150.974%0.74479%0.788SS**  trans63.697.7157.1-61.4156.8000118.8
526N24.7Very low28.3Very low156 Ų156146.7 Ų146.783%0.83478%0.778SS**  47141.7124.1-114.7-0.1000123.1
527P29.1Very low28.4Very low104 Ų104143.5 Ų143.568%0.67577%0.767SS**  trans-94.9162.7-178.739.5-34.9000113.8
528K25.6Very low28.3Very low197 Ų197144 Ų14486%0.85776%0.762SS**  trans159121.2143.4-90.2157.5-174.5179.20109.2
529H31.6Very low28.1Very low198 Ų198143.1 Ų143.192%0.91776%0.756SS**  trans-165.7117.9135-109.2-75.1000108.8
530A28.9Very low28.1Very low83 Ų83140 Ų14069%0.68675%0.748SS**  trans-85.6174.7172.300000110.1
531P29.8Very low28Very low111 Ų111137.3 Ų137.372%0.72174%0.738SS**  -138.4153.791.9175000115.8
532I29.4Very low28Very low154 Ų154139.8 Ų139.879%0.7975%0.745SS**  trans57.9119.7132.9-60.5170.9000117.4
533M30Very low28.3Very low171 Ų171139.8 Ų139.884%0.84274%0.743SS**  cis-130.1134.67.4-81.6-160.9-8800112.9
534A31.3Very low28.5Very low91 Ų91142.6 Ų142.675%0.75275%0.746SS**  52142.6120.100000121.1
535R29.1Very low28.6Very low219 Ų219146.2 Ų146.283%0.82675%0.75SS**  cis-152.1135.510.7-148.8173-174160.52.2111.6
536M28.8Very low28.5Very low134 Ų134145.2 Ų145.266%0.6675%0.747SS**  trans52.4113148.2-68.9171.181.700120.1
537Q28.7Very low28.7Very low145 Ų145148.7 Ų148.768%0.67875%0.748SS**  53143.299.7-63.9-176-84.100118.7
538D27.3Very low29Very low110 Ų110148.1 Ų148.159%0.58874%0.744SS**  cis-164.1162.2-6.5-114.2-20.5000111.2
539I27.1Very low29.2Very low134 Ų134145.7 Ų145.769%0.68774%0.741SS**  trans59.6121.5140.1-65.2166.4000120.4
540D25.9Very low29.3Very low127 Ų127140.9 Ų140.968%0.67973%0.729SS**  trans86.2144.5144.8-90.4-39.2000126.6
541H28.4Very low29.4Very low152 Ų152141.8 Ų141.870%0.70473%0.73SS**  trans68.2116.7144.7-70.110000122.5
542S26.1Very low29.5Very low116 Ų116145 Ų14581%0.81173%0.732SS**  trans84.8152.6143.383.50000119.1
543P32.9Very low29.7Very low111 Ų111141.7 Ų141.772%0.72173%0.729SS**  trans-99.9154.9-175.538.1-33.2000112.8
544Y27.3Very low29.8Very low211 Ų211139.7 Ų139.783%0.82772%0.721SS**  trans-178.6149.1133.9-109.4-72.8000113.2
545R27.7Very low29.8Very low201 Ų201141.1 Ų141.176%0.75873%0.725SS**  trans56.2125.3149.7-88.7163.6-179-164.81.1122.7
546N28.9Very low30Very low125 Ų125136.9 Ų136.967%0.66872%0.724SS**  77.9111.4126.3-68.8-5000122.7
547R28Very low30.3Very low229 Ų229136.1 Ų136.186%0.86473%0.729SS**  53.2160.3104.5-79.5-168.8177.2-162.22.4120.6
548P36.8Very low30.4Very low91 Ų91132.9 Ų132.959%0.59172%0.723SS**  cis-141.4-155.4-28.637.3-15.5000112.8
549N29.9Very low30.6Very low147 Ų147136.7 Ų136.779%0.78673%0.734SS**  trans75.1150.6162.1-58.6-14.6000116.7
550S32.4Very low30.9Very low97 Ų97134.2 Ų134.268%0.67873%0.734SS**  cis-164.3160.6-18.750.90000107.1
551C31.8Very low31Very low102 Ų102133.9 Ų133.969%0.68974%0.742SS**  -166.4156.556.6-89.40000112.8
552F31.5Very low30.9Very low177 Ų177129.7 Ų129.778%0.77674%0.74SS**  trans7.9154.8147.3-54.1-80.9000122.3
553A33.8Very low31Very low86 Ų86130.5 Ų130.571%0.71174%0.74SS**  cis-148.8132.919.500000116.7
554N31.3Very low30.7Very low128 Ų128132.3 Ų132.368%0.68474%0.742SS**  49.5109.3126.2-53.3-6.2000122.7
555S32.2Very low30.7Very low121 Ų121130 Ų13085%0.84674%0.744SS**  -164.3147.210327.70000111.4
556T32.7Very low30.8Very low130 Ų130126.1 Ų126.180%0.79875%0.747SS**  trans-158.2177.7-157300000111.3
557P36.2Very low30.8Very low119 Ų119129.1 Ų129.177%0.77375%0.754SS**  cis-109.9-137.2-14.431.2-10000108.7
558S30.8Very low30.8Very low77 Ų77126.6 Ų126.654%0.53875%0.75SS.*  cis-164.9171.7-9-129.90000106.7
559F31.5Very low30.5Very low189 Ų189131.3 Ų131.383%0.82976%0.764SS**  cis-139.7135-5-93.7-62.4000105.6
560A32Very low30.3Very low82 Ų82132.4 Ų132.468%0.67876%0.762SS**  66.7128.386.700000116.4
561S29.5Very low30.1Very low121 Ų121136.2 Ų136.285%0.84677%0.766SS**  cis-163.3157.1-7.4-96.80000113.1
562G25.8Very low29.8Very low64 Ų64136.3 Ų136.366%0.6676%0.764SS**  trans-107-157.3153.300000110.3
563T27.8Very low29.7Very low132 Ų132134.4 Ų134.481%0.8176%0.762SS**  cis-163.2154.4-3.2-28.60000109.7
564L25.9Very low29.3Very low149 Ų149140.2 Ų140.278%0.7877%0.767SS**  trans16.4148.5153.5-77.9168.6000125.2
565L27.7Very low29.2Very low163 Ų163141.7 Ų141.785%0.85377%0.77SS**  trans78.2154156.1-65.7154.6000117.7
566S31.2Very low28.9Very low119 Ų119141.7 Ų141.783%0.83276%0.761SS**  cis-134.9-144.37.873.80000114.5
567K28.2Very low28.7Very low188 Ų188142.1 Ų142.182%0.81776%0.758SS**  trans-143.4150.6-154.4-144179.8-171.3174.60115.7
568K27.6Very low28.3Very low177 Ų177144.3 Ų144.377%0.7776%0.758SS**  trans76.1111.4159.8-72.9-171.5170.8-173.30122.2
569Q31.8Very low28.2Very low189 Ų189147.1 Ų147.188%0.88377%0.766SS**  178.8125.6124.8-98.3165.5-2300106
570F25.3Very low27.9Very low171 Ų171145 Ų14575%0.7576%0.758SS**  56.6113.154.6-80.7-75.1000111.6
571F27.1Very low27.8Very low176 Ų176146.6 Ų146.677%0.77276%0.755SS**  cis-145.8-164.939-119.7-95.6000114.4
572T25.1Very low27.9Very low104 Ų104148.9 Ų148.964%0.63875%0.752SS**  trans-31.9164.5171.641.10000119.7
573D29.9Very low28Very low138 Ų138152 Ų15274%0.73876%0.759SS**  cis-131.8159.310.3-77.9-65.2000110.7
574Y24.8Very low28.3Very low208 Ų208148.6 Ų148.682%0.81675%0.75SS**  78.3128.652.3-123.7-69.7000116.1
575Q30.2Very low28.6Very low159 Ų159149.2 Ų149.274%0.74375%0.753SS**  trans70.1156.4178.9-52-162.524.800116.8
576N25.8Very low28.8Very low121 Ų121145 Ų14565%0.64774%0.738SS**  cis-166.1160.2-35.3-101.3-20.7000108.9
577N28.4Very low28.9Very low139 Ų139150.6 Ų150.674%0.74374%0.741SS**  trans64124.8160.7-64.4-7.9000117.1
578Q27.7Very low29.1Very low165 Ų165146.3 Ų146.377%0.77173%0.734SS**  79.9147.666.3-85-156.922.100114.7
579L28.4Very low29.3Very low136 Ų136142 Ų14271%0.71273%0.727SS**  trans73.8145175.9-44.5-178.1000114.7
580E26.6Very low29.4Very low143 Ų143140 Ų14067%0.66872%0.722SS**  cis-165.3155.2-12.8-118.5-179.515600113.2
581I28.4Very low29.7Very low117 Ų117137.2 Ų137.260%0.672%0.724SS**  trans73.5145.1135.7-78.9169.5000124.3
582Q31.2Very low30Very low168 Ų168132.7 Ų132.779%0.78571%0.714SS**  trans67.2149.5157-85.6154.133.900120.7
583T30Very low30.4Very low131 Ų131136.3 Ų136.380%0.80472%0.721SS**  cis-164.6169.9-25.710.50000110.7
584G33.2Very low30.6Very low60 Ų60137.7 Ų137.762%0.61972%0.721SS**  trans101.8122.7163.900000113.3
585D33Very low31.1Very low161 Ų161132.8 Ų132.886%0.86172%0.717SS**  cis77.5140.450-69.6-45.4000114.4
586S31.4Very low31.3Very low76 Ų76129.7 Ų129.753%0.53171%0.713SS.*  cis-167.8167.1-22.4650000109
587R32.5Very low31.7Very low235 Ų235131.2 Ų131.289%0.88772%0.721SS**  trans67.5158.1161.9-61.3163.9-168-170.12.7115.9
588S32Very low32Very low98 Ų98129.5 Ų129.569%0.68572%0.72SS**  cis-164.6173.4-22.651.20000111.8
589S32.1Very low32.4Very low88 Ų88126.8 Ų126.862%0.61572%0.719SS**  trans73.7120.2138.251.10000123.2
590D33.7Very low32.8Very low146 Ų146124.4 Ų124.478%0.78172%0.719SS**  90.3115.7123.6-61.2-6.2000124.6
591S32.6Very low33.2Very low112 Ų112123.4 Ų123.478%0.78372%0.718SS**  trans80.1152.8131.986.40000119.1
592S34Very low33.5Very low81 Ų81126.8 Ų126.857%0.56672%0.723SS**  cis-169167.4-18.545.80000112.2
593F32Very low33.6Very low180 Ų180125.9 Ų125.979%0.78972%0.717SS**  trans69154.8161.5-61.3-57.2000117.9
594K34.2Very low33.7Very low168 Ų168126 Ų12673%0.7371%0.713SS**  cis-157.3146.43.7-134.2161.4-166.2172.80112.2
595S35.1Very low33.6Very low105 Ų105127.2 Ų127.273%0.73471%0.712SS**  trans52.7144.4148.646.60000121.5
596S35.4Very low33.5Very low93 Ų93124.1 Ų124.165%0.6570%0.703SS**  cis-172.8146.9-1.345.40000112.6
597N34.2Very low33.6Very low154 Ų154126.6 Ų126.682%0.82471%0.71SS**  trans63.2153143.2-62.96.2000119
598S34.7Very low33.6Very low102 Ų102122.5 Ų122.571%0.71370%0.703SS**  cis-176.5155.8-10.244.90000108.3
599S35.6Very low33.6Very low108 Ų108125.5 Ų125.576%0.75571%0.706SS**  cis-178.5175.8-1554.20000109
600A36.2Very low33.5Very low87 Ų87125.3 Ų125.372%0.71971%0.705SS**  trans74.1147.3166.400000116.9
601N36.4Very low33.5Very low121 Ų121125.8 Ų125.865%0.64771%0.707SS**  cis-154.21376.9-130.2-7.7000112.4
602R33.2Very low33.3Very low188 Ų188130.1 Ų130.171%0.70971%0.712SS**  trans58.1150140.7-68165.5-161.7-142.1-2.2120.2
603F34.3Very low33.3Very low150 Ų150132 Ų13266%0.65873%0.725SS**  cis-152.7149.1-0.5-116.8-39.2000110.4
604N32Very low33.3Very low133 Ų133131.1 Ų131.171%0.71173%0.728SS**  trans27.2149.9137.5-69.924.2000121.9
605S30.3Very low33Very low86 Ų86132.5 Ų132.560%0.60173%0.734SS**  cis-168.8149.5-6.5-105.10000110.8
606S32Very low32.9Very low95 Ų95139.3 Ų139.366%0.66474%0.743SS**  trans57.6163.2131.387.60000120.3
607D33.9Very low32.8Very low128 Ų128143.9 Ų143.968%0.68476%0.755SS**  cis-135.71506.1-95.8-61.2000112.5
608M32.7Very low33.3Very low149 Ų149142 Ų14273%0.73475%0.751SS**  28.9150.5122.8-52.2-50.7-17100121.1
609E31.2Very low33.4Very low161 Ų161142.6 Ų142.675%0.75275%0.752SS**  cis-158.6172.63.1-132.2168164.400114.1
610S29.4Very low33.5Very low84 Ų84143.5 Ų143.559%0.58776%0.755SS**  trans26.6130.4151.176.20000120.4
611N33.8Very low33.7Very low157 Ų157150 Ų15084%0.8476%0.761SS**  -162165.860.3-100.5-61.8000114.4
612K29.5Very low33.6Very low203 Ų203149.3 Ų149.388%0.88376%0.763SS**  trans-111.2140.9179.9-68.1173.5178.8168.60112.6
613S32.8Very low33.9Very low120 Ų120145.7 Ų145.784%0.83976%0.764SS**  trans-154.599.9156.639.90000114.3
614L32.4Very low34.2Very low162 Ų162144 Ų14485%0.84877%0.768SS**  trans36.6115.6145.1-72.8157.4000122.3
615K28.3Very low34.3Very low196 Ų196143.5 Ų143.585%0.85277%0.773SS**  trans27.3120.2135.7-69.5-175.5173.6-175.40119.6
616R32.6Very low34.2Very low249 Ų249150.8 Ų150.894%0.9479%0.787SS**  trans-149.3132133.6-102.4171.4-173.2179.71.5109.3
617E33.4Very low34.1Very low189 Ų189154.6 Ų154.688%0.88380%0.799SS**PPolyproline II helixtrans-80.6141.7172-68.7-171.1133.600110.6
618P43.9Very low34Very low115 Ų115155.3 Ų155.375%0.74780%0.801SS**PPolyproline II helixtrans-79.8144.6171.932.6-33.1000111.3
619P37.9Very low33.8Very low113 Ų113156.3 Ų156.373%0.73480%0.803SS**PPolyproline II helixtrans-72.6160.8-173.830-36.7000113.7R621P619-R621 PolarHBondContact O-N 3.01Å
620P38Very low33.8Very low127 Ų127154.8 Ų154.883%0.82580%0.801SS**PPolyproline II helixtrans-61.2134.7172.926.8-34.7000111.1
621R39.8Very low33.7Very low223 Ų223156.9 Ų156.984%0.84281%0.805SS**PPolyproline II helixtrans-79.7136-178.6-158.9174.4-61.2-108.9-0.4109.9P619P619-R621 PolarHBondContact O-N 3.01Å
622P34.8Very low33.6Very low107 Ų107156.4 Ų156.470%0.69580%0.803SS**PPolyproline II helixtrans-68.2158.4-173.227-35.9000113.1
623P38.5Very low33.6Very low113 Ų113155 Ų15573%0.73480%0.799SS**PPolyproline II helixtrans-66.7153.7175.229.8-35.8000111.7
624P41.1Very low33.4Very low113 Ų113154.6 Ų154.673%0.73479%0.791SS**PPolyproline II helixtrans-62.3149.9169.528.6-34.7000110.6R626P624-R626 PolarHBondContact O-N 3.09Å
625P34.9Very low33.1Very low124 Ų124155.3 Ų155.381%0.80579%0.79SS**PPolyproline II helixtrans-65.8128.1-169.725.8-34.6000112.2L627P625-L627 PolarHBondContact O-N 3.28Å
626R27.9Very low33.1Very low239 Ų239154.3 Ų154.390%0.90279%0.793SS**  trans-78.7104.9161.9-65.8-177.1-178.2-176.71.5107.9P624P624-R626 PolarHBondContact O-N 3.09Å
627L30.2Very low32.8Very low174 Ų174151.1 Ų151.191%0.91179%0.786SS**  trans-68.6136.4162.8-84.3165.8000109P625P625-L627 PolarHBondContact O-N 3.28Å
628I30.4Very low32.5Very low144 Ų144147.4 Ų147.474%0.73878%0.781SS**  trans-92.4142.7-165.2-68.9169.5000110.1N630I628-N630 PolarHBondContact O-N 2.99Å
629H28.2Very low31.8Very low169 Ų169148.4 Ų148.478%0.78278%0.779SS**  trans-67.5109.8163.8-100.9-78.6000109.3
630N31.7Very low31.5Very low130 Ų130152.5 Ų152.570%0.69579%0.787SS**  trans-100113.9147.1-83.432.6000107.4I628I628-N630 PolarHBondContact O-N 2.99Å
631N27Very low31Very low127 Ų127154.8 Ų154.868%0.67979%0.787SS**  trans-80119.2156.5-70.7-14.3000106
632D32.8Very low30.5Very low147 Ų147152 Ų15279%0.78679%0.786SS**  trans-135.8151.2160.7-100.2-51.8000111
633H28.8Very low30.4Very low174 Ų174157.2 Ų157.281%0.80680%0.798SS**  trans-87.2164.4-155.7-102.3-110.6000114.5
634V29Very low30Very low112 Ų112156.2 Ų156.268%0.67979%0.793SS**  trans76.2116.6149.2164.90000118.5
635Q26.2Very low29.6Very low177 Ų177158.7 Ų158.783%0.82780%0.795SS**  trans34.6115.4142.3-51.3175.921.300119.2
636L28.7Very low29.5Very low174 Ų174158.7 Ų158.791%0.91179%0.793SS**  -161.3162.5114.9-107.8162.5000112.6
637K25.5Very low29.6Very low182 Ų182154.5 Ų154.579%0.79179%0.788SS**  trans-98.1157.8-168.6-60.5168.6175.4170.90111.9
638S26.7Very low29.7Very low111 Ų111152 Ų15278%0.77678%0.779SS**  trans77.8164.6149.1-56.40000119.2
639I29.4Very low29.5Very low137 Ų137152.1 Ų152.170%0.70378%0.781SS**  trans73.286.9169.1-42.9-179.5000116.2
640H31.4Very low29.8Very low198 Ų198152.8 Ų152.892%0.91779%0.785SS**  -146.560.9122.6-120-70.7000111.6
641Q27.5Very low29.8Very low175 Ų175153 Ų15382%0.81879%0.791SS**  trans-114.390.4179-178.5-174.77.600109.5
642M29Very low29.7Very low164 Ų164158.4 Ų158.481%0.80880%0.802SS**  trans-160.272.3173.6-128.4-177.1-67.600114.3
643K33.4Very low29.4Very low218 Ų218160 Ų16095%0.94881%0.805SS**  trans-146.873.6149.2-80.7-149.9175.1-174.40110.1
644S31.4Very low29.5Very low92 Ų92157.3 Ų157.364%0.64381%0.805SS**  trans-125.4160.2163.152.20000106
645Q30.8Very low29.3Very low164 Ų164157.4 Ų157.477%0.76681%0.806SS**  cis-153.6-17238-64.8167.7-29.700112.4
646T32.8Very low29.2Very low124 Ų124157.2 Ų157.276%0.76181%0.81SS**  trans80.3140.8172.377.10000114.1
647L30.8Very low29Very low152 Ų152153.1 Ų153.180%0.79680%0.795SS**  cis-154.5165.1-15.6-13854.6000106.2
648V31.4Very low29.1Very low120 Ų120152.9 Ų152.973%0.72780%0.795SS**  cis-129.3-157.19.4-161.50000109.3
649N26.6Very low29Very low147 Ų147156.7 Ų156.779%0.78680%0.797SS**  trans-89.7148.5177.6-50.4-51000112
650E34.2Very low28.8Very low183 Ų183156.7 Ų156.786%0.85580%0.799SS**  -162.1153.3103.9-110.3180-164.200113.9
651T32.7Very low28.6Very low135 Ų135153.2 Ų153.283%0.82879%0.787SS**  trans29.788.8168.550.80000120.9
652R25.4Very low28.8Very low241 Ų241150.2 Ų150.291%0.90979%0.785SS**  trans-89.3146.7139.2-76.2174.3161.7179.2-6.1109.4
653Q26.1Very low28.7Very low181 Ų181148.7 Ų148.785%0.84678%0.779SS**  148.9107.1128.2-80.8-1751700115.1
654S29.6Very low28.4Very low117 Ų117148 Ų14882%0.81878%0.776SS**  trans178.112013828.90000106.1
655V26Very low28.3Very low114 Ų114148.9 Ų148.969%0.69178%0.782SS**  cis81.198.732.8-170.70000113.6S657V655-S657 PolarHBondContact O-N 2.85Å
656L24.5Very low28.2Very low173 Ų173150.6 Ų150.691%0.90679%0.787SS**SBendtrans26.688.3146.8-66.6165.1000117.7
657S23.5Very low27.9Very low87 Ų87150.1 Ų150.161%0.60879%0.785SS**  trans-172.9171.7152.341.70000111.4V655V655-S657 PolarHBondContact O-N 2.85Å
658F27.9Very low27.7Very low178 Ų178154 Ų15478%0.78179%0.789SS**  trans62.4119.2178-51.9-84.9000116
659K25.2Very low27.6Very low190 Ų190155.5 Ų155.583%0.82679%0.792SS**  cis55.296.67-89.6-170.3174.8-177.80115.6
660N24.5Very low27.6Very low137 Ų137157 Ų15773%0.73379%0.794SS**  trans55.8120.6161-54.85.8000116.9
661D27.8Very low27.4Very low125 Ų125159.7 Ų159.767%0.66880%0.796SS**  -173.8-178.987.3-112.3-23000114I663D661-I663 VanDerWaalsContact OD1-CD1 3.22Å; D661-I663 WeakPolarHBondContact OD1-CD1 3.49Å
662S31.2Very low27.3Very low112 Ų112160.2 Ų160.278%0.78379%0.792SS**  trans79.598.4-172.5750000114.3
663I27.3Very low27.5Very low132 Ų132157.4 Ų157.468%0.67779%0.787SS**  cis62.982.510.6-47.8-171.9000114.2D661D661-I663 VanDerWaalsContact OD1-CD1 3.22Å; D661-I663 WeakPolarHBondContact OD1-CD1 3.49Å
664K26.6Very low27.8Very low205 Ų205154 Ų15489%0.89178%0.783SS**  179.163.3129.3-96.8161.6-174.6175.10114.7
665S29Very low27.8Very low110 Ų110156 Ų15677%0.76978%0.779SS**SBendtrans178.5134.6151.242.70000110
666F28.4Very low28Very low200 Ų200158.4 Ų158.488%0.87778%0.78SS**  cis-134.2168.8-17.7-130.6-95.8000108.9
667T27.7Very low28.2Very low114 Ų114156 Ų15670%0.69977%0.768SS**  trans-70.8160.1-160.737.70000117.9
668R25.9Very low28.5Very low234 Ų234157.1 Ų157.188%0.88378%0.783SS**  trans70.4131.4162-72.4174.6176.8176.6-1.4115.9
669L30.5Very low28.4Very low151 Ų151152 Ų15279%0.79178%0.78SS**  cis-155.1135.315.6-105.6149.2000111.5
670H26.3Very low28.5Very low178 Ų178149.2 Ų149.282%0.82478%0.779SS**  trans-129.6131.3158.1-118.2-94.4000107.3
671R29.5Very low28.5Very low239 Ų239150 Ų15090%0.90278%0.781SS**  trans-155.2106.9160.1-154.6167.4-167.6157.95111.1
672I31.3Very low28.4Very low146 Ų146149.2 Ų149.275%0.74979%0.786SS**  trans-77.3149.7164.8-68.4173000107.8
673K28.4Very low28.2Very low183 Ų183148.3 Ų148.380%0.79678%0.779SS**  trans-80.5131.4174.4-71.3-175.1172.7-168.20110.8
674S32.5Very low28.2Very low109 Ų109147.6 Ų147.676%0.76278%0.781SS**  trans-158.4131.1133.355.60000108.8
675E30.2Very low28.2Very low158 Ų158147.3 Ų147.374%0.73878%0.775SS**  trans-44.4145.1164.5-69.691.2-179.600112.8
676K29.3Very low28Very low166 Ų166148.9 Ų148.972%0.72278%0.775SS**  cis85.2135.747.2-139.6-167169.1-70.30112.8
677D29.5Very low27.9Very low122 Ų122147.1 Ų147.165%0.65277%0.77SS**  trans69.393.3164.5-53.1-31.5000119.6
678A28.6Very low27.8Very low111 Ų111147.2 Ų147.292%0.91777%0.771SS**  trans24.7136.8133.800000122
679G27.4Very low27.8Very low70 Ų70141.3 Ų141.372%0.72276%0.764SS**  trans142.597.3149.600000117.3
680V26.3Very low27.6Very low132 Ų132138.6 Ų138.680%0.876%0.758SS**  34.9105.3127.6-178.90000119
681I25.4Very low27.7Very low153 Ų153137.4 Ų137.479%0.78576%0.756SS**  56.8125.4129-60.8173.2000120.2
682S25.8Very low27.7Very low109 Ų109130.8 Ų130.876%0.76274%0.743SS**  trans68.7155.1159-131.90000116.3
683S26.7Very low27.7Very low92 Ų92132.6 Ų132.664%0.64375%0.748SS**  cis-167.2138.9-18.627.70000109.6
684V25.9Very low27.9Very low117 Ų117127.4 Ų127.471%0.70974%0.739SS**  trans40144.6138.4-152.40000121.1
685Y26.6Very low27.7Very low199 Ų199131.5 Ų131.578%0.7874%0.737SS**  trans84.887.9167.6-65.5-62.2000119
686D26Very low27.6Very low143 Ų143133.5 Ų133.577%0.76574%0.738SS**  72.9158.9106.9-94.1-47.6000124.6
687E26.5Very low27.6Very low163 Ų163134.4 Ų134.476%0.76274%0.742SS**  trans66.8107.8157.3-75.9-160.1164.200122.7
688T26.3Very low27.8Very low117 Ų117133.6 Ų133.672%0.71874%0.742SS**  97.8133.4127.3660000122.8
689C25.3Very low27.8Very low110 Ų110133.7 Ų133.774%0.74373%0.734SS**  trans6597134.3-69.90000123.6
690S26.1Very low28.1Very low94 Ų94135.4 Ų135.466%0.65773%0.733SS**  96.3144.398.782.20000121.1
691L27.3Very low28.4Very low153 Ų153134 Ų13480%0.80173%0.729SS**  trans65.5153.8151.8-59.8159.8000116.2
692T30.4Very low28.8Very low100 Ų100132.2 Ų132.261%0.61373%0.726SS**  cis-158.4151.11.4-7.60000111.8
693H30.6Very low29Very low184 Ų184134.7 Ų134.785%0.85273%0.73SS**  trans57.9160.3141.8-78-18.6000122.1
694A32.4Very low29.2Very low74 Ų74133.1 Ų133.161%0.61273%0.728SS**  cis-166.4155.6-13.800000115.5
695R29.2Very low29.5Very low194 Ų194137.3 Ų137.373%0.73274%0.737SS**  trans67124.1138.4-78.6173.9174.1-170.51.7123.9
696R28.2Very low29.8Very low201 Ų201134.4 Ų134.476%0.75874%0.741SS**  trans69163.4134.9-59.3169.4178.4-178.8-3.8115.3
697K29.5Very low30Very low184 Ų184132.4 Ų132.480%0.874%0.744SS**  cis-159.6164.60.8-137.4-163156.2-158.20106
698T33.1Very low30.5Very low105 Ų105130.6 Ų130.664%0.64475%0.749SS**  cis-156.8-176.8-1.6-23.60000109.1
699C29.2Very low31Very low113 Ų113130.4 Ų130.476%0.76475%0.753SS**  trans-108.6-177.4157.7-530000108.9
700P34.3Very low32.2Very low107 Ų107130.8 Ų130.870%0.69575%0.754SS**  cis-149.6178.117.442.3-19.8000120.4
701S30.7Very low33Very low102 Ų102132 Ų13271%0.71376%0.759SS**  trans70.2162141.359.40000124.6
702T34.4Very low33.6Very low116 Ų116130.7 Ų130.771%0.71276%0.76SS**  trans80.199.7162.429.50000120.9
703D29.6Very low34.4Very low160 Ų160133.9 Ų133.986%0.85677%0.772SS**  55.2134.2124.6-53.8-7.1000123.8
704G31.9Very low35Very low59 Ų59130.3 Ų130.361%0.60877%0.765SS**  trans127.395.3137.300000119
705F31.4Very low35.1Very low205 Ų205133 Ų13390%0.89978%0.777SS**  trans57.9163.3154.9-56.1-86.4000117.2
706T33Very low35.5Very low139 Ų139135.3 Ų135.385%0.85379%0.785SS**  cis-142.2177.24.5-25.50000109.6
707A30.6Very low35.9Very low100 Ų100131.4 Ų131.483%0.82679%0.786SS**  trans-78.6149.7-171.800000115.9
708S36.3Very low36Very low125 Ų125131.4 Ų131.487%0.87479%0.789SS**  trans-148.4142.7146.660.80000109.8
709S38.1Very low36.3Very low113 Ų113132 Ų13279%0.7979%0.794SS**  trans-126.7133.8-168.754.90000112.6
710P49.5Very low36.5Very low119 Ų119132.8 Ų132.877%0.77380%0.798SS**PPolyproline II helixtrans-74.3157.3171.931.7-34.2000112.2
711P43.6Very low36.2Very low118 Ų118132.8 Ų132.877%0.76680%0.801SS**PPolyproline II helixtrans-82.5162.2-166.432.9-37.5000115.1
712P40.7Very low36.2Very low126 Ų126136.4 Ų136.482%0.81881%0.811SS**PPolyproline II helixtrans-75.9154.7176.432.4-36.1000113.1
713L45.7Very low35.9Very low167 Ų167137.6 Ų137.687%0.87481%0.813SS**PPolyproline II helixtrans-96.6151.5173.7-74.7170.5000111.9
714P43.5Very low35.9Very low109 Ų109137.5 Ų137.571%0.70881%0.811SS**PPolyproline II helixtrans-78.8158.4-166.931.5-37.2000114.5
715P35.6Very low35.9Very low130 Ų130141.6 Ų141.684%0.84482%0.819SS**PPolyproline II helixtrans-72.7156.8178.331.4-36.2000112.9
716R37.3Very low35.6Very low243 Ų243142.9 Ų142.992%0.91782%0.818SS**  trans-116.5150.8166.9-97.4-169.2173-134.3-1.9111.3
717P36.2Very low35.4Very low119 Ų119148.2 Ų148.277%0.77382%0.822SS**PPolyproline II helixtrans-86.6161.1-163.234.5-37.7000114.8
718H30.6Very low35.4Very low185 Ų185148 Ų14886%0.85681%0.814SS**PPolyproline II helixtrans-86.7141.1173.7-59.3-91.2000112.5
719P40.7Very low35Very low117 Ų117149 Ų14976%0.7682%0.816SS**PPolyproline II helixtrans-84.8163.2152.734.9-30.5000111.1
720P33Very low34.7Very low130 Ų130150.2 Ų150.284%0.84482%0.819SS**PPolyproline II helixtrans-81.7158.8-162.332-37000115.6
721S27.9Very low33.7Very low107 Ų107149.3 Ų149.375%0.74882%0.815SS**PPolyproline II helixtrans-77.4142174.449.40000113.3
722L31.9Very low32.9Very low177 Ų177150.7 Ų150.793%0.92782%0.815SS**  trans-127.9116.9156.7-100.3163000107.7
723D26.6Very low32.4Very low142 Ų142152.3 Ų152.376%0.75981%0.812SS**  trans-70155.5176.5-75.3-74.4000112
724L30.2Very low31.8Very low157 Ų157152 Ų15282%0.82281%0.806SS**  -168.2137.2121.4-100.5161.5000112.6
725L30.7Very low31.1Very low146 Ų146153.2 Ų153.276%0.76481%0.806SS**  trans60.685156.9-68.2162.6000119.5
726R25.4Very low30.8Very low232 Ų232153.5 Ų153.588%0.87580%0.8SS**  trans-54.8146.4135.6-72.2175.1168.3179.3-4.8110.2
727R29Very low30.4Very low250 Ų250148.9 Ų148.994%0.94379%0.792SS**  trans-142.4114.6138.4-106.7-178.1-175.9-169.70.3110.6
728S31Very low30.1Very low95 Ų95148.9 Ų148.966%0.66479%0.793SS**  trans-92.5143.9176.846.20000111.1T730S728-T730 PolarHBondContact O-N 3.37Å
729T27.7Very low30Very low148 Ų148144.6 Ų144.691%0.90878%0.784SS**  trans-76.9115.6173.4390000111.1
730T31.8Very low29.4Very low138 Ų138146.4 Ų146.485%0.84779%0.787SS**  trans-143.8164.9167.618.60000109.8S728S728-T730 PolarHBondContact O-N 3.37Å
731S28.7Very low29.2Very low100 Ų100150.5 Ų150.570%0.69979%0.792SS**  trans-100.1146.6-155.856.20000115.9
732L26.9Very low29.2Very low146 Ų146149.9 Ų149.976%0.76479%0.787SS**  trans68.3133.6143.2-72.7164.2000120.5
733Q30.5Very low29.1Very low161 Ų161150.3 Ų150.375%0.75279%0.787SS**  trans84.7118.9140.7-76171.2-5.400121.8
734H32.7Very low29.1Very low160 Ų160150.9 Ų150.974%0.74179%0.79SS**  trans78.7123.9145.3-82-84.4000123.1
735L29.7Very low29.1Very low135 Ų135146.5 Ų146.571%0.70778%0.783SS**  trans75.495139.4-63165.5000121.2
736D28.3Very low29Very low136 Ų136150.9 Ų150.973%0.72779%0.791SS**  59.9142.4100.8-76.1-43.5000124.6
737I30Very low29Very low146 Ų146144.7 Ų144.775%0.74978%0.783SS**  trans74.5101.1153-63.1153.6000119.2
738C28.4Very low29.1Very low118 Ų118141.9 Ų141.980%0.79778%0.78SS**  166.4109.1125.9-95.20000108.7
739S28.8Very low28.8Very low95 Ų95144.7 Ų144.766%0.66479%0.788SS**  91.1109.653.8-64.90000114.8
740N27.6Very low28.9Very low155 Ų155143.3 Ų143.383%0.82978%0.784SS**  trans65.5119.9151-57.2-16000120.6
741K30.1Very low28.7Very low216 Ų216144.2 Ų144.294%0.93978%0.784SS**  -160.2159.191.6-102.1171.2-176.51790112.3
742S27.5Very low28.7Very low94 Ų94148.5 Ų148.566%0.65780%0.795SS**  trans-114155.5-175.1169.40000111.3
743M30.1Very low28.7Very low187 Ų187148.5 Ų148.592%0.92180%0.796SS**  trans-139.7120.5151.6-91.3-61.9-162.300109.3
744N26.6Very low28.7Very low154 Ų154148 Ų14882%0.82480%0.798SS**  trans-90153.4168.1-76.2-16.2000109.8
745G29.8Very low28.7Very low64 Ų64147.4 Ų147.466%0.6680%0.8SS**  trans-170.793.5175.500000116
746Y28.3Very low28.6Very low238 Ų238150.6 Ų150.693%0.93381%0.808SS**  trans63.7120.3155-65.5-82.1000121.3
747S24.6Very low29Very low103 Ų103149.3 Ų149.372%0.7281%0.807SS**  trans-90.2155.3163.354.20000112.1
748H31.8Very low29.1Very low191 Ų191151.2 Ų151.288%0.88481%0.81SS**  trans-147.4132.1145.8-117-78.2000111.8
749N25.1Very low29.2Very low154 Ų154153.1 Ų153.182%0.82481%0.812SS**  trans-92.9146.3172.4-85-16.6000110.7
750S30.3Very low29.3Very low118 Ų118152.5 Ų152.583%0.82582%0.821SS**  trans-155.2106.7153.658.20000110.6
751N25.9Very low29.3Very low158 Ų158151.6 Ų151.685%0.84582%0.821SS**  trans-75.3142.6169.4-73.1-26.9000110.5
752M29.9Very low29.1Very low190 Ų190146.2 Ų146.294%0.93681%0.811SS**  trans-148134.3144.5-91.3-56.9-176.700109.4
753N26.4Very low29.2Very low146 Ų146148.9 Ų148.978%0.78182%0.817SS**  trans-86.4155.4165.8-71.2-58.5000109.3
754L31.9Very low28.9Very low150 Ų150145 Ų14579%0.78581%0.807SS**  -173130113.7-119.772.2000113
755D31.9Very low28.9Very low148 Ų148148 Ų14879%0.79181%0.807SS**  trans58.8163144.3-63.8-29.5000124.5
756K27.6Very low28.9Very low201 Ų201150.4 Ų150.487%0.87481%0.811SS**  trans-120-156.8-167.1-57.2174.8172.9173.10111.2
757P36.4Very low28.9Very low109 Ų109147.6 Ų147.671%0.70881%0.811SS**  -125.5179.2-106.939.9-21.5000114.1
758K33Very low29.1Very low186 Ų186151.9 Ų151.981%0.80982%0.816SS**  trans-177.4144.8142.8-101.1147.1-171.4175.10113.9
759N30.3Very low28.8Very low158 Ų158149.8 Ų149.885%0.84581%0.81SS**  trans39.9130.6143.8-51.91.1000121
760G30.5Very low29.1Very low83 Ų83148.2 Ų148.286%0.85681%0.808SS**  trans176.286.5167.200000115.5
761T27.4Very low28.9Very low135 Ų135149.2 Ų149.283%0.82880%0.803SS**  trans-72.2135.3-174.343.30000116.8
762S27Very low28.9Very low103 Ų103147.7 Ų147.772%0.7280%0.8SS**  99.7152.9129.982.90000123.6
763L27.7Very low29Very low151 Ų151145.6 Ų145.679%0.79180%0.798SS**  trans7992.7153.7-66.6170.1000122.6
764C25.2Very low29Very low105 Ų105145.8 Ų145.871%0.70980%0.799SS**  55112120.4-64.70000123.2
765R26.6Very low29.2Very low218 Ų218144 Ų14482%0.82380%0.796SS**  44.5156.9117.1-72.7-175.3171.6-177.3-2.4121.2
766P29.2Very low29.1Very low114 Ų114142.2 Ų142.274%0.7480%0.795SS**  cis-137170.7-37.539.8-24.1000112.7
767L27.5Very low29.3Very low178 Ų178136 Ų13693%0.93279%0.788SS**  trans-132.6161.4170.1-94.7173.9000114.8
768K29Very low29.1Very low193 Ų193140 Ų14084%0.83980%0.798SS**  trans-95.3154.7-158.2-65.9173.8179171.90114.4
769I25.8Very low28.9Very low148 Ų148142.6 Ų142.676%0.75980%0.802SS**  trans-62.1138.4161.6-55.2161.7000110.5I771I769-I771 HydrophobicContact CG2-CG1 3.83Å
770P31.1Very low29Very low120 Ų120141 Ų14178%0.77980%0.803SS**  trans-112.9136.4149.934.6-25.3000111.4
771I26.7Very low28.9Very low140 Ų140146.9 Ų146.972%0.71880%0.8SS**  trans-105.6122.5176.2-66.4-178.8000109.5I769I769-I771 HydrophobicContact CG2-CG1 3.83Å
772T26.6Very low29.2Very low125 Ų125149 Ų14977%0.76780%0.8SS**  trans48.9126.9164.261.50000120.2
773T30.9Very low29.3Very low147 Ų147150.7 Ų150.790%0.90280%0.796SS**  -148.7145.3116.121.50000110
774N27.9Very low29.4Very low150 Ų150150.4 Ų150.480%0.80280%0.795SS**  trans-105.5149.4171.1-141.8-6.4000106.9
775P35Very low29.6Very low111 Ų111151.6 Ų151.672%0.72180%0.799SS**  -153.3144.3103.338.3-20.6000117.5
776S30.3Very low29.9Very low111 Ų111144.9 Ų144.978%0.77680%0.797SS**  trans37.4124.9142.565.30000122.3
777G31.7Very low30Very low70 Ų70147.4 Ų147.472%0.72280%0.804SS**  trans-174.298.115900000116.6
778Q32.8Very low30.3Very low195 Ų195142.8 Ų142.891%0.91179%0.787SS**  trans60.1173.9160.3-54.8-178.40.100118.8
779R27.9Very low30.6Very low240 Ų240141.2 Ų141.291%0.90679%0.788SS**  179.8105.4-67.8-120.8-168.2173.1-1710.8109.1
780S32.1Very low30.8Very low124 Ų124137.5 Ų137.587%0.86779%0.787SS**  trans174.2129.2153.235.50000108.5
781R28Very low30.8Very low206 Ų206140.1 Ų140.178%0.77779%0.792SS**  cis105.772.51.6-155.8-157-160.8-162.15.8117.8
782H33.4Very low30.9Very low180 Ų180140.9 Ų140.983%0.83380%0.796SS**  trans-145140138.4-70.7-73.2000106.7
783Q29.6Very low31.2Very low139 Ų139141 Ų14165%0.6580%0.797SS**  cis70.6132.238.4-71.6-171.4-28.400113.1
784L30.5Very low31.3Very low145 Ų145139.9 Ų139.976%0.75979%0.791SS**  cis-148.8-17813.5-115.9155.6000113.7
785T28.3Very low31.3Very low130 Ų130142.4 Ų142.480%0.79879%0.79SS**  trans-75.9162.7-167.247.50000118.1
786G32.8Very low31.5Very low76 Ų76142.1 Ų142.178%0.78479%0.788SS**  trans-149.5130.2162.100000113.9
787N33Very low31.8Very low167 Ų167143.1 Ų143.189%0.89379%0.792SS**  trans-104.5170.8179.6-99.4-2.6000110
788S33.9Very low31.9Very low82 Ų82145 Ų14557%0.57379%0.785SS**  cis-169.2-172.5-10.152.40000109.6
789N35Very low32.1Very low159 Ų159140.2 Ų140.285%0.8578%0.779SS**  trans80.7137.3167.9-43.8-14.1000115.9
790G28.3Very low32.5Very low71 Ų71136.4 Ų136.473%0.73278%0.777SS**  cis144.5115.7-13.400000114.6
791I31.8Very low32.6Very low175 Ų175137 Ų13790%0.89778%0.775SS**  trans-164.5157.1161.7-101150.5000108.2
792I28.7Very low33.2Very low156 Ų156131.7 Ų131.780%0.877%0.767SS**  trans-130.5172.1-159.8-55174.6000111.2
793V32.7Very low33.4Very low128 Ų128128.3 Ų128.378%0.77676%0.761SS**  trans97.7130.6159.7-174.10000116.2
794P33.4Very low33.8Very low122 Ų122127.8 Ų127.879%0.79277%0.769SS**  cis-129.6-169.8-33.336.9-16.9000112.6
795R28.2Very low34.2Very low204 Ų204128.8 Ų128.877%0.7778%0.775SS**  trans-124.2131.8-173.3-174.5179.5-177.2176.33.8113.4D798R795-D798 IonicContact CZ-OD2 3.73Å; R795-D798 IonicContact NE-OD2 2.99Å; R795-D798 PolarHBondContact NE-OD2 3.18Å; R795-D798 IonicContact NH2-OD2 3.74Å; R795-D798 PolarHBondContact NH2-OD2 2.78Å
796P38Very low34.4Very low105 Ų105127.7 Ų127.768%0.68277%0.77SS**PPolyproline II helixtrans-86.8159.6162.434.9-31.8000111.7
797P37.6Very low34.5Very low131 Ų131129.8 Ų129.885%0.85177%0.77SS**PPolyproline II helixtrans-79.3138.1-164.130.3-35.8000115.1
798D33.9Very low34.6Very low109 Ų109132.9 Ų132.958%0.58377%0.769SS**PPolyproline II helixtrans-72.9127.2169.8-73.6-76.8000111.5R795R795-D798 IonicContact CZ-OD2 3.73Å; R795-D798 IonicContact NE-OD2 2.99Å; R795-D798 PolarHBondContact NE-OD2 3.18Å; R795-D798 IonicContact NH2-OD2 3.74Å; R795-D798 PolarHBondContact NH2-OD2 2.78Å
799A36.6Very low34.3Very low95 Ų95138.3 Ų138.379%0.78578%0.782SS**  trans-89.1111.7172.300000110.6V801A799-V801 PolarHBondContact O-N 2.69Å
800N35.8Very low34Very low161 Ų161138 Ų13886%0.86178%0.78SS**PPolyproline II helixtrans-66119.2-179.8-72.2-53.3000112
801V35.8Very low33.8Very low137 Ų137139.7 Ų139.783%0.8378%0.78SS**PPolyproline II helixtrans-92.4117.2163.2-179.80000108A799A799-V801 PolarHBondContact O-N 2.69Å
802P39.6Very low33.6Very low93 Ų93138.8 Ų138.860%0.60478%0.776SS**PPolyproline II helixtrans-71.3150.9178.529.5-34.4000111.5
803P37.8Very low33.3Very low110 Ų110140.8 Ų140.871%0.71478%0.779SS**PPolyproline II helixtrans-63.9159.9171.729.3-35.5000111.3L805P803-L805 PolarHBondContact O-N 2.65Å
804P37.9Very low33Very low127 Ų127141.2 Ų141.283%0.82578%0.782SS**PPolyproline II helixtrans-58134.7178.224.5-34.3000111.3
805L38.7Very low32.6Very low166 Ų166143.9 Ų143.987%0.86978%0.784SS**PPolyproline II helixtrans-63.8133.9-179.1-72.2167.2000110.7P803P803-L805 PolarHBondContact O-N 2.65Å
806P33.4Very low32.4Very low107 Ų107139 Ų13970%0.69578%0.781SS**PPolyproline II helixtrans-65.9150.6171.529.1-34.6000110.3R808P806-R808 PolarHBondContact O-N 2.82Å
807P34.5Very low31.9Very low121 Ų121139.9 Ų139.979%0.78679%0.787SS**PPolyproline II helixtrans-59.3128-178.523.7-33.7000111.1K809P807-K809 PolarHBondContact O-N 2.79Å; P807-K809 VanDerWaalsContact O-N 3.08Å
808R34.9Very low31.4Very low231 Ų231142 Ų14287%0.87279%0.79SS**  trans-61.2112.4177.4-77.3-178.8170.4174.8-1.5109.7P806 L810P806-R808 PolarHBondContact O-N 2.82Å; R808-L810 PolarHBondContact O-N 3.11Å
809K28.3Very low31Very low197 Ų197142.3 Ų142.386%0.85780%0.801SS**  trans-64.493.1169.2-76.9-172.3174.9-177.60110.1P807 S811P807-K809 PolarHBondContact O-N 2.79Å; P807-K809 VanDerWaalsContact O-N 3.08Å; K809-S811 VanDerWaalsContact C-N 3.29Å; K809-S811 PolarHBondContact O-N 3.16Å
810L28.5Very low30.6Very low151 Ų151143 Ų14379%0.79180%0.8SS**  trans-72.784.6168-79.1169.7000109.7R808 L812R808-L810 PolarHBondContact O-N 3.11Å; L810-L812 PolarHBondContact O-N 2.98Å
811S24.4Very low30.2Very low107 Ų107142.4 Ų142.475%0.74880%0.797SS**  trans-70.274.2174-62.10000111.6K809 K813K809-S811 VanDerWaalsContact C-N 3.29Å; K809-S811 PolarHBondContact O-N 3.16Å; S811-K813 PolarHBondContact O-N 3.14Å
812L26.7Very low29.8Very low156 Ų156139.5 Ų139.582%0.81778%0.782SS**  trans-6599.4173-79.1169.3000110.4L810 V814L810-L812 PolarHBondContact O-N 2.98Å; L812-V814 PolarHBondContact O-N 3.29Å
813K23.6Very low29.4Very low198 Ų198145.9 Ų145.986%0.86180%0.796SS**  trans-64.898.5164.3-83.1-174.8173.61790109.1S811 Q815S811-K813 PolarHBondContact O-N 3.14Å; K813-Q815 PolarHBondContact O-N 3.49Å
814V25.5Very low28.8Very low137 Ų137145 Ų14583%0.8379%0.792SS**  trans-65.8101.1165.21800000107.9L812 S816L812-V814 PolarHBondContact O-N 3.29Å; V814-S816 PolarHBondContact O-N 2.96Å
815Q25.3Very low28.4Very low179 Ų179147.5 Ų147.584%0.83680%0.798SS**PPolyproline II helixtrans-76.3116.3168.5-77.4-174.3-35.300109.2K813 P817K813-Q815 PolarHBondContact O-N 3.49Å; Q815-P817 WeakPolarHBondContact O-CD 3.43Å
816S23.8Very low27.7Very low101 Ų101148.2 Ų148.271%0.70679%0.794SS**PPolyproline II helixtrans-72.8125.8172.551.40000111.3V814V814-S816 PolarHBondContact O-N 2.96Å
817P28.3Very low27.5Very low124 Ų124148.2 Ų148.281%0.80580%0.796SS**PPolyproline II helixtrans-78.9127.9161.130-26.5000109.6Q815Q815-P817 WeakPolarHBondContact O-CD 3.43Å
818L27Very low27.1Very low175 Ų175149.9 Ų149.992%0.91680%0.797SS**PPolyproline II helixtrans-65.7150-179.1-76.3140.5000113.1
819S25.4Very low26.5Very low116 Ų116144.4 Ų144.481%0.81179%0.794SS**PPolyproline II helixtrans-96.4132.6-178.554.50000113.6
820S27.3Very low26.4Very low109 Ų109140.2 Ų140.276%0.76279%0.79SS**  trans-169.3149.9155.852.80000109.1
821N27Very low26.2Very low149 Ų149141.6 Ų141.680%0.79779%0.792SS**  cis-148.5163.9-7.1-121.610.5000112.3
822S28.2Very low26.3Very low75 Ų75141.7 Ų141.752%0.52479%0.793SS.*  trans-7.4146158.359.10000120.6
823Y30.2Very low26.3Very low228 Ų228141.5 Ų141.589%0.89479%0.793SS**  -150.3161.297.8-97.3-70.3000111.3
824S25.4Very low26.6Very low91 Ų91137.3 Ų137.364%0.63679%0.786SS**  trans-150.6147.7-168131.70000110.6
825L29Very low26.5Very low180 Ų180138.1 Ų138.194%0.94279%0.785SS**  trans-134.2151.8158.5-94.9171.2000110.4
826K24.4Very low26.5Very low180 Ų180136.4 Ų136.478%0.78378%0.781SS**  trans-130.7143.6-170.5-64.6177.1178.7176.30112.3
827S30.6Very low26.6Very low107 Ų107139.1 Ų139.175%0.74879%0.787SS**  trans-159.8136.2145.150.70000105.9
828I24.4Very low26.4Very low157 Ų157141 Ų14181%0.80579%0.787SS**  cis63.9114.145.7-50.9168.4000109.8
829S24Very low26.4Very low115 Ų115138.1 Ų138.180%0.80478%0.777SS**  cis-126.2-155.5-2.554.60000108.8
830S26.1Very low26.3Very low109 Ų109141.2 Ų141.276%0.76278%0.776SS**  cis-152.9-169.38.561.60000111.3
831E23.9Very low26.2Very low180 Ų180147 Ų14784%0.84178%0.782SS**  trans-88.5142.8175.5-57.6167.9123.500112.7
832S26Very low26.1Very low110 Ų110145 Ų14577%0.76978%0.775SS**  163.4154.712152.70000114.4
833N27.4Very low25.9Very low152 Ų152148.3 Ų148.381%0.81379%0.793SS**  trans61.9119.6166-69.8-37.9000120.4
834P28.5Very low25.8Very low110 Ų110142.9 Ų142.971%0.71478%0.784SS**  trans-86.9139.4161.335-30.8000111.4
835N25Very low25.8Very low153 Ų153145.7 Ų145.782%0.81879%0.791SS**  trans160159.2142.9-88.9-47.5000112
836L24.6Very low25.7Very low143 Ų143141.1 Ų141.175%0.74978%0.775SS**  trans50.298.1170.4-84.375.4000117.6
837L26.7Very low26Very low158 Ų158141.3 Ų141.383%0.82778%0.775SS**  trans-131.470.6146.5-118.5173000111.7T839L837-T839 HydrophobicContact CD2-CG2 4.37Å; L837-T839 PolarHBondContact O-N 2.85Å
838M23.4Very low26.1Very low163 Ų163143.8 Ų143.880%0.80378%0.775SS**  trans-65.391.4168.4-95.7-88-8300110.4K840M838-K840 PolarHBondContact O-N 2.98Å
839T26.3Very low26.9Very low115 Ų115139 Ų13971%0.70675%0.751SS**  trans-73.888.9172.735.40000110.4L837 Y841L837-T839 HydrophobicContact CD2-CG2 4.37Å; L837-T839 PolarHBondContact O-N 2.85Å; T839-Y841 PolarHBondContact O-N 3.12Å
840K23.1Very low28.1Very low182 Ų182135 Ų13579%0.79172%0.723SS**  trans-46.2104.5-176.2-60.6169.4-176.9172.70113.6M838 T842M838-K840 PolarHBondContact O-N 2.98Å; K840-T842 PolarHBondContact O-N 3.16Å
841Y25.6Very low29Very low230 Ų230131.7 Ų131.790%0.90270%0.697SS**  trans-7999.4153-86-80.5000108.9T839 T843T839-Y841 PolarHBondContact O-N 3.12Å; Y841-T843 PolarHBondContact O-N 2.82Å
842T26.1Very low29.7Very low106 Ų106124.2 Ų124.265%0.6566%0.664SS**  trans-65.6119.7179.543.20000111.3K840 T844K840-T842 PolarHBondContact O-N 3.16Å; T842-T844 PolarHBondContact O-N 2.73Å
843T24.2Very low31Very low145 Ų145123 Ų12389%0.8965%0.646SS**  trans-59.3107.5173.444.60000110.6Y841Y841-T843 PolarHBondContact O-N 2.82Å
844T28Very low32.2Very low114 Ų114122.3 Ų122.370%0.69963%0.632SS**  trans-113.6107.8169.235.10000108.1T842 S846T842-T844 PolarHBondContact O-N 2.73Å; T844-S846 PolarHBondContact O-N 2.74Å
845D25.3Very low33.2Very low150 Ų150118.7 Ų118.780%0.80260%0.604SS**  trans-71.493.3-170-147.5-31000110.5
846S27Very low34.4Very low85 Ų85113 Ų11359%0.59458%0.578SS**  trans-136.6104.1176.158.40000109.4T844 Q848T844-S846 PolarHBondContact O-N 2.74Å; S846-Q848 PolarHBondContact O-N 2.89Å
847K30.2Very low35.6Very low183 Ų183111 Ų11180%0.79656%0.564SS**  trans-76.169.3-175.8-68.6174.8-177.7168.80111.5L849K847-L849 PolarHBondContact O-N 3.2Å
848Q33Very low36.3Very low160 Ų160110.3 Ų110.375%0.74855%0.55SS**  trans-62.982.8166-78.3-85.9100109.5S846 S850S846-Q848 PolarHBondContact O-N 2.89Å; Q848-S850 PolarHBondContact O-N 3.48Å
849L40.2Very low37Very low55 Ų55106 Ų10629%0.28853%0.527SS..  trans-55.3134.7172.5-67.5171.2000109.7K847 E853 R854 K857K847-L849 PolarHBondContact O-N 3.2Å; L849-E853 HydrophobicContact CB-CB 4.26Å; L849-E853 HydrophobicContact CD2-CB 4.28Å; L849-R854 HydrophobicContact CB-CG 3.87Å; L849-R854 PolarHBondContact O-NE 3.05Å; L849-R854 PolarHBondContact O-NH2 3.2Å; L849-K857 HydrophobicContact CD1-CD 4.15Å; L849-K857 VanDerWaalsContact CD2-NZ 3.27Å
850S49.2Very low37.6Very low33 Ų33103.7 Ų103.723%0.23151%0.508CS..  trans-57.1162174.160.40000111.6Q848 C852 E853 R854Q848-S850 PolarHBondContact O-N 3.48Å; S850-C852 PolarHBondContact O-N 3.25Å; S850-E853 WeakPolarHBondContact CB-OE2 3.42Å; S850-E853 PolarHBondContact N-OE2 2.93Å; S850-E853 PolarHBondContact O-N 3Å; S850-E853 WeakPolarHBondContact OG-CB 3.35Å; S850-E853 WeakPolarHBondContact OG-CG 3.24Å; S850-E853 PolarHBondContact OG-N 3.43Å; S850-E853 PolarHBondContact OG-OE2 2.79Å; S850-R854 WeakPolarHBondContact O-CB 3.34Å; S850-R854 PolarHBondContact O-N 3.3Å; S850-R854 PolarHBondContact O-NE 3.5Å
851L46.1Very low38.4Very low38 Ų3898 Ų9820%0.19949%0.492CS..Hα-helixtrans-57.7-43.6173.5-175.371000110.5D175 R854 R855D175-L851 HydrophobicContact CB-CD2 4.14Å; D175-L851 WeakPolarHBondContact OD2-CD2 3.04Å; L851-R854 PolarHBondContact O-N 3.38Å; L851-R855 WeakPolarHBondContact O-CG 3.42Å; L851-R855 PolarHBondContact O-N 2.85Å
852C37.8Very low38.9Very low24 Ų2490.6 Ų90.616%0.16247%0.467CS..Hα-helixtrans-55.1-53.3174.7-59.60000111.8S850 R854 R855 A856S850-C852 PolarHBondContact O-N 3.25Å; C852-R854 VanDerWaalsContact C-N 3.34Å; C852-R854 PolarHBondContact O-N 2.93Å; C852-R855 PolarHBondContact O-N 3.38Å; C852-A856 WeakPolarHBondContact O-CB 3.49Å; C852-A856 PolarHBondContact O-N 3.22Å
853E53.4Low39.4Very low84 Ų8490.5 Ų90.539%0.39346%0.463SS..Hα-helixtrans-64.2-36.3177.7-73.3166.210500113L849 S850 R855 K857L849-E853 HydrophobicContact CB-CB 4.26Å; L849-E853 HydrophobicContact CD2-CB 4.28Å; S850-E853 WeakPolarHBondContact CB-OE2 3.42Å; S850-E853 PolarHBondContact N-OE2 2.93Å; S850-E853 PolarHBondContact O-N 3Å; S850-E853 WeakPolarHBondContact OG-CB 3.35Å; S850-E853 WeakPolarHBondContact OG-CG 3.24Å; S850-E853 PolarHBondContact OG-N 3.43Å; S850-E853 PolarHBondContact OG-OE2 2.79Å; E853-R855 VanDerWaalsContact C-N 3.34Å; E853-K857 VanDerWaalsContact O-CB 3.29Å; E853-K857 WeakPolarHBondContact O-CB 3.46Å; E853-K857 VanDerWaalsContact O-CG 3.32Å; E853-K857 WeakPolarHBondContact O-CG 3.43Å; E853-K857 PolarHBondContact O-N 3.29Å
854R52.5Low39.9Very low137 Ų13789.7 Ų89.752%0.51745%0.453SS..Hα-helixtrans-65.8-36.1175.7-80.8-179.3-89.9171.6-12.5112L849 S850 L851 C852 R858L849-R854 HydrophobicContact CB-CG 3.87Å; L849-R854 PolarHBondContact O-NE 3.05Å; L849-R854 PolarHBondContact O-NH2 3.2Å; S850-R854 WeakPolarHBondContact O-CB 3.34Å; S850-R854 PolarHBondContact O-N 3.3Å; S850-R854 PolarHBondContact O-NE 3.5Å; L851-R854 PolarHBondContact O-N 3.38Å; C852-R854 VanDerWaalsContact C-N 3.34Å; C852-R854 PolarHBondContact O-N 2.93Å; R854-R858 WeakPolarHBondContact O-CB 3.35Å; R854-R858 PolarHBondContact O-N 3.39Å
855R49.8Very low40.2Very low34 Ų3491.6 Ų91.613%0.12845%0.452CS..Hα-helixtrans-71.6-50.6172.4-71.5-178.7-179.4162.210.6111.1Y171 L174 D175 L851 C852 E853 K857 R858 F859Y171-R855 PolarHBondContact O-NH1 3.42Å; L174-R855 PolarHBondContact O-NH1 3.29Å; D175-R855 IonicContact OD1-CZ 2.85Å; D175-R855 IonicContact OD1-NH2 3.52Å; D175-R855 PolarHBondContact OD1-NH2 3.42Å; L851-R855 WeakPolarHBondContact O-CG 3.42Å; L851-R855 PolarHBondContact O-N 2.85Å; C852-R855 PolarHBondContact O-N 3.38Å; E853-R855 VanDerWaalsContact C-N 3.34Å; R855-K857 PolarHBondContact O-N 3.05Å; R855-R858 WeakPolarHBondContact O-CB 3.26Å; R855-R858 PolarHBondContact O-N 2.69Å; R855-R858 VanDerWaalsContact O-N 3.08Å; R855-F859 WeakPolarHBondContact O-CD2 3.45Å; R855-F859 PolarHBondContact O-N 3.2Å
856A49.2Very low40.3Very low33 Ų3391.8 Ų91.827%0.27345%0.453SS..Hα-helixtrans-57.5-47.5-179.800000112.7C852 R858 F859 Q860C852-A856 WeakPolarHBondContact O-CB 3.49Å; C852-A856 PolarHBondContact O-N 3.22Å; A856-R858 VanDerWaalsContact C-N 3.28Å; A856-R858 PolarHBondContact O-N 3.33Å; A856-F859 PolarHBondContact O-N 2.64Å; A856-F859 VanDerWaalsContact O-N 3.15Å; A856-Q860 WeakPolarHBondContact O-CG 3.02Å; A856-Q860 PolarHBondContact O-N 2.77Å
857K50.1Low40.5Very low102 Ų10293.4 Ų93.444%0.44345%0.454SS..Hα-helixtrans-64.7-31176.7-72.6177.4179.4178.10112.8L849 E853 R855 S861L849-K857 HydrophobicContact CD1-CD 4.15Å; L849-K857 VanDerWaalsContact CD2-NZ 3.27Å; E853-K857 VanDerWaalsContact O-CB 3.29Å; E853-K857 WeakPolarHBondContact O-CB 3.46Å; E853-K857 VanDerWaalsContact O-CG 3.32Å; E853-K857 WeakPolarHBondContact O-CG 3.43Å; E853-K857 PolarHBondContact O-N 3.29Å; R855-K857 PolarHBondContact O-N 3.05Å; K857-S861 WeakPolarHBondContact O-CB 3.45Å; K857-S861 PolarHBondContact O-N 3.29Å
858R41.5Very low40.2Very low143 Ų14394.1 Ų94.154%0.5446%0.46SS..Hα-helixtrans-71.4-34.2174.4-169.2174-175.7177.30.4112R854 R855 A856 L862R854-R858 WeakPolarHBondContact O-CB 3.35Å; R854-R858 PolarHBondContact O-N 3.39Å; R855-R858 WeakPolarHBondContact O-CB 3.26Å; R855-R858 PolarHBondContact O-N 2.69Å; R855-R858 VanDerWaalsContact O-N 3.08Å; A856-R858 VanDerWaalsContact C-N 3.28Å; A856-R858 PolarHBondContact O-N 3.33Å; R858-L862 WeakPolarHBondContact O-CG 3.21Å
859F38.2Very low39.9Very low73 Ų7391.5 Ų91.532%0.3245%0.45SS..Hα-helixtrans-70.7-45.1170.9-86-74.3000112.4N172 M314 R855 A856 S861 L862 N863N172-F859 WeakPolarHBondContact OD1-CE2 3.18Å; M314-F859 HydrophobicContact CE-CE1 3.83Å; M314-F859 HydrophobicContact CE-CZ 3.72Å; M314-F859 HydrophobicContact SD-CZ 4.43Å; R855-F859 WeakPolarHBondContact O-CD2 3.45Å; R855-F859 PolarHBondContact O-N 3.2Å; A856-F859 PolarHBondContact O-N 2.64Å; A856-F859 VanDerWaalsContact O-N 3.15Å; F859-S861 PolarHBondContact O-N 2.7Å; F859-L862 WeakPolarHBondContact O-CB 3.32Å; F859-L862 PolarHBondContact O-N 3.29Å; F859-L862 VanDerWaalsContact O-N 3.07Å; F859-N863 PolarHBondContact O-N 2.64Å
860Q40Very low39.3Very low66 Ų6696.4 Ų96.431%0.30848%0.477SS..Hα-helixtrans-58.5-46.5176.5-72.5172.2-3500111.6A856 L862 N863 D864A856-Q860 WeakPolarHBondContact O-CG 3.02Å; A856-Q860 PolarHBondContact O-N 2.77Å; Q860-L862 PolarHBondContact O-N 3.44Å; Q860-N863 PolarHBondContact O-N 2.88Å; Q860-D864 PolarHBondContact O-N 3.13Å; Q860-D864 VanDerWaalsContact O-N 3.13Å
861S38.1Very low38.3Very low64 Ų6499.4 Ų99.445%0.44850%0.496SS..Hα-helixtrans-59.2-12.6175.4-173.70000115.3K857 F859K857-S861 WeakPolarHBondContact O-CB 3.45Å; K857-S861 PolarHBondContact O-N 3.29Å; F859-S861 PolarHBondContact O-N 2.7Å
862L37.3Very low37.4Very low74 Ų74103.8 Ų103.839%0.38752%0.518SS..Hα-helixtrans-94.3-26.3172.7-69.5167.1000113R858 F859 Q860R858-L862 WeakPolarHBondContact O-CG 3.21Å; F859-L862 WeakPolarHBondContact O-CB 3.32Å; F859-L862 PolarHBondContact O-N 3.29Å; F859-L862 VanDerWaalsContact O-N 3.07Å; Q860-L862 PolarHBondContact O-N 3.44Å
863N35.9Very low36.8Very low103 Ų103109.1 Ų109.155%0.55154%0.538SS*.Hα-helixtrans-80-34.9174.6-760.3000112.3F859 Q860 K865F859-N863 PolarHBondContact O-N 2.64Å; Q860-N863 PolarHBondContact O-N 2.88Å; N863-K865 PolarHBondContact O-N 3.01Å
864D34.8Very low35.5Very low128 Ų128110.7 Ų110.768%0.68455%0.547SS*.SBendtrans-70.914.8-174.3-60.3-31.5000114.7Q860Q860-D864 PolarHBondContact O-N 3.13Å; Q860-D864 VanDerWaalsContact O-N 3.13Å
865K33.9Very low34.1Very low154 Ų154106.7 Ų106.767%0.6754%0.538SS*.SBendtrans-134.178.3-173.7-70.1-177-179.9169.40113N863N863-K865 PolarHBondContact O-N 3.01Å
866N27.6Very low32.9Very low155 Ų155109.5 Ų109.583%0.82956%0.555SS**SBendtrans60.280168-60.29.2000115.6
867L30.8Very low31.8Very low118 Ų118111.9 Ų111.962%0.61857%0.567SS**  -168.5158.1128.9-125.472.8000110.4I869L867-I869 PolarHBondContact O-N 2.88Å; L867-I869 VanDerWaalsContact O-N 3.17Å
868Q24.4Very low30.7Very low198 Ų198113.5 Ų113.593%0.92558%0.58SS**  trans-73.4102.9169-74.4179-15.200109.7
869I28Very low29.9Very low105 Ų105116.5 Ų116.554%0.53860%0.597SS.*  trans-104.3115.4173.1-60.8174.9000107.9L867 P871L867-I869 PolarHBondContact O-N 2.88Å; L867-I869 VanDerWaalsContact O-N 3.17Å; I869-P871 WeakPolarHBondContact O-CD 3.45Å
870N26.5Very low29.3Very low158 Ų158120.4 Ų120.485%0.84562%0.621SS**  trans-60.3120.4170.4-84.2-18.6000108.9I872N870-I872 PolarHBondContact O-N 2.84Å
871P27.3Very low28.7Very low97 Ų97123.6 Ų123.663%0.6365%0.645SS**  trans-77.9125.5-161.128-35.1000112.7I869 K873I869-P871 WeakPolarHBondContact O-CD 3.45Å; P871-K873 PolarHBondContact O-N 2.8Å; P871-K873 VanDerWaalsContact O-N 3.15Å
872I28Very low28.1Very low130 Ų130129.9 Ų129.967%0.66767%0.667SS**  trans-60.6112.1148.3-62.4174.1000106N870 M874N870-I872 PolarHBondContact O-N 2.84Å; I872-M874 PolarHBondContact O-N 3.41Å
873K25.7Very low27.5Very low135 Ų135130.8 Ų130.859%0.58768%0.68SS**  trans-75.168.3-175.3-80.5-172.5171.3-179.10112.7P871 T875P871-K873 PolarHBondContact O-N 2.8Å; P871-K873 VanDerWaalsContact O-N 3.15Å; K873-T875 PolarHBondContact O-N 3.22Å
874M25.1Very low27.2Very low117 Ų117132 Ų13258%0.57669%0.686SS**  trans-71.281.6155.4-71.8-172.1178.200109I872 L876I872-M874 PolarHBondContact O-N 3.41Å; M874-L876 VanDerWaalsContact C-N 3.35Å; M874-L876 PolarHBondContact O-N 3.03Å
875T24.5Very low26.9Very low54 Ų54135.1 Ų135.133%0.33169%0.694SS.*  trans-69.686.7-179.3-52.90000110.9S57 K873 P877S57-T875 VanDerWaalsContact CB-O 3.32Å; S57-T875 WeakPolarHBondContact CB-O 3.42Å; K873-T875 PolarHBondContact O-N 3.22Å; T875-P877 WeakPolarHBondContact O-CD 3.13Å
876L24.6Very low26.6Very low93 Ų93132.7 Ų132.749%0.48770%0.696SS.*  trans-87.9114.1167.6-79.3169.6000109.7M874 L878M874-L876 VanDerWaalsContact C-N 3.35Å; M874-L876 PolarHBondContact O-N 3.03Å; L876-L878 PolarHBondContact O-N 2.91Å
877P26.4Very low26.8Very low82 Ų82132.7 Ų132.753%0.53270%0.695SS.*  trans-76.194.2-179.229.9-34.2000111.5T875 K879T875-P877 WeakPolarHBondContact O-CD 3.13Å; P877-K879 PolarHBondContact O-N 3.39Å
878L26.5Very low26.7Very low136 Ų136135.8 Ų135.871%0.71271%0.706SS**  trans-69.6109.3165.2-77.4171.4000109.6L876 L880L876-L878 PolarHBondContact O-N 2.91Å; L878-L880 VanDerWaalsContact C-N 3.32Å; L878-L880 PolarHBondContact O-N 2.64Å
879K23.4Very low27.1Very low207 Ų207132.4 Ų132.490%0.970%0.704SS**  trans-65.888.5167.7-79.4-173.6174.7179.40110.3P877 T881P877-K879 PolarHBondContact O-N 3.39Å; K879-T881 PolarHBondContact O-N 3.22Å
880L27.2Very low27.2Very low155 Ų155130.4 Ų130.481%0.81271%0.709SS**  trans-81.8107.1165.5-84.6167000109.6L878 Q882L878-L880 VanDerWaalsContact C-N 3.32Å; L878-L880 PolarHBondContact O-N 2.64Å; L880-Q882 PolarHBondContact O-N 2.77Å
881T26.8Very low27.3Very low132 Ų132132 Ų13281%0.8171%0.712SS**  trans-67.6110.9170.547.70000109.9K879K879-T881 PolarHBondContact O-N 3.22Å
882Q25Very low27.5Very low196 Ų196132.6 Ų132.692%0.91671%0.713SS**  trans-68140.3171.9-68179.8-15.500110.8L880L880-Q882 PolarHBondContact O-N 2.77Å
883S25.8Very low27.5Very low94 Ų94133 Ų13366%0.65772%0.717SS**  trans-154.4133.6166.566.50000112
884N29.6Very low27.6Very low128 Ų128131.9 Ų131.968%0.68472%0.722SS**  trans72.6124.7175.4-46.4-48.7000114.4
885K28.2Very low27.9Very low193 Ų193137 Ų13784%0.83974%0.736SS**  70.9133.553.8-69.1-170.4175.3-170.10112.2
886S28Very low27.9Very low103 Ų103143.6 Ų143.672%0.7276%0.76SS**  cis-174.8159.10.542.50000112
887I31Very low28.1Very low156 Ų156148.4 Ų148.480%0.878%0.78SS**  trans-173.7111.4150.7-93.3144.1000103.8
888Q29Very low28.1Very low182 Ų182152.6 Ų152.685%0.8579%0.793SS**  53.6129.185.6-69.9-176.1-19.300113.1
889S32Very low28.3Very low128 Ų128152.6 Ų152.690%0.89580%0.798SS**  cis-146.9171.88.149.70000109.7
890G29.8Very low28.6Very low62 Ų62147.3 Ų147.364%0.63979%0.788SS**  cis169.3160.5-7.200000111
891Q29.8Very low28.6Very low192 Ų192148.8 Ų148.890%0.89779%0.79SS**  trans65.3147.6173.9-60.4178-36.400116.5
892T31Very low28.6Very low109 Ų109150.7 Ų150.767%0.66979%0.79SS**  cis-153.7137.2-15.314.90000110.7
893D29.2Very low28.8Very low138 Ų138146.9 Ų146.974%0.73879%0.785SS**  trans66121.5142.5-55.2-30.6000125.5
894T27.7Very low28.9Very low112 Ų112149.8 Ų149.869%0.68779%0.791SS**  trans33.2122.1139.760.60000121.8
895Y29.8Very low28.8Very low226 Ų226149.6 Ų149.689%0.88680%0.8SS**  -167.5174.887-113.6-92.4000111.9
896K24.6Very low28.9Very low192 Ų192149.4 Ų149.484%0.83580%0.802SS**  trans-98.2137.8-176.5-59.1170.5-178.8170.90112.2
897Q30.2Very low29Very low193 Ų193152.2 Ų152.290%0.90281%0.807SS**  trans-162.3171.1135.6-114.7167.38.400112.6
898Q26Very low29Very low170 Ų170152.3 Ų152.379%0.79481%0.808SS**  trans-95.3149.4-174.4-56.8137.3-8600111.2
899T29.5Very low28.9Very low136 Ų136151.5 Ų151.583%0.83481%0.809SS**  179.8161.6127.823.40000113.7
900S29.8Very low28.7Very low97 Ų97148.9 Ų148.968%0.67880%0.802SS**  trans21.8121.1157.751.60000120.8E902S900-E902 VanDerWaalsContact C-N 3.34Å; S900-E902 PolarHBondContact O-N 2.82Å
901H27.7Very low28.7Very low185 Ų185153.7 Ų153.786%0.85681%0.813SS**  trans-90.244-179.9-148.8-63.6000114.4
902E27.9Very low28.7Very low173 Ų173150.4 Ų150.481%0.80881%0.808SS**  trans-97.481.8176-70.6-166.4133.200111.8S900S900-E902 VanDerWaalsContact C-N 3.34Å; S900-E902 PolarHBondContact O-N 2.82Å
903S28.3Very low28.5Very low116 Ų116153.2 Ų153.281%0.81182%0.818SS**  trans-166.469.1170.8-85.30000113.9
904I28.8Very low28.3Very low155 Ų155155.4 Ų155.480%0.79582%0.824SS**  trans-140.868.4158.8-48.3179.5000109.4
905S27.4Very low28.2Very low123 Ų123155.9 Ų155.986%0.8683%0.83SS**SBendtrans-153.715173.7-73.50000114.7
906Q29.4Very low28.1Very low190 Ų190153 Ų15389%0.88883%0.825SS**SBendtrans-140.141.4-179.5-71.2-170.3-30.200113
907I29.3Very low28.1Very low161 Ų161154.3 Ų154.383%0.82683%0.831SS**SBendtrans-133.8130.8167-56.1-178.8000107.5
908I31.5Very low27.9Very low159 Ų159149.1 Ų149.182%0.81582%0.816SS**SBendtrans79.447.9-165.8-39.1170.5000113.6
909D27.1Very low27.9Very low164 Ų164148.1 Ų148.188%0.87782%0.816SS**  trans-100.9142.7130.1-92.1-50.4000107.2
910G28Very low27.7Very low73 Ų73147.9 Ų147.975%0.75382%0.819SS**  trans97.757.2172.200000117.9
911L28.8Very low27.4Very low164 Ų164148.6 Ų148.686%0.85982%0.824SS**  trans-131.9144.9148.4-78.6178.4000110.1
912P30.9Very low27.2Very low123 Ų123145.6 Ų145.680%0.79982%0.818SS**  trans-92.3173.9-155.9-8.829.7000115.9
913L26.8Very low27Very low167 Ų167144.9 Ų144.987%0.87482%0.819SS**  trans-74.5171.4171.6-74.9154000113
914E24.9Very low26.8Very low185 Ų185144 Ų14486%0.86481%0.813SS**  trans75.183.7162.8-53.9-146.3121.600120.1
915C26.1Very low26.5Very low122 Ų122145.7 Ų145.782%0.82482%0.817SS**  trans-178135.5140.5-102.90000109.9
916Q27.5Very low26.3Very low166 Ų166144.2 Ų144.278%0.77681%0.807SS**  cis-139.2154.6-2.9-73.1174.6-22.400110.3
917K24.6Very low26Very low218 Ų218142.5 Ų142.595%0.94880%0.802SS**  trans-88112.1161.3-70.6173.8-179167.60109.6
918S26.3Very low25.8Very low85 Ų85139.3 Ų139.359%0.59479%0.794SS**  trans-165.9136.3157.751.40000114.1
919N24.4Very low25.3Very low148 Ų148138.8 Ų138.879%0.79179%0.793SS**  trans54.184.6145.9-56.8-6.8000119.4
920C25.5Very low25.3Very low132 Ų132137.8 Ų137.889%0.89279%0.794SS**  trans-150.152.1137.5-143.40000112.1T922C920-T922 PolarHBondContact O-N 3.34Å
921S23.2Very low25.2Very low112 Ų112144.1 Ų144.178%0.78380%0.803SS**  trans-93.174.7-179.557.20000111.9
922T24.4Very low25.2Very low122 Ų122140.8 Ų140.875%0.74879%0.794SS**  trans-150.2155.6172.9-33.50000110.2C920C920-T922 PolarHBondContact O-N 3.34Å
923L24.2Very low25.1Very low158 Ų158143.4 Ų143.483%0.82779%0.787SS**  trans65.841-179.1-67.8162.6000115.9
924S23.1Very low25.1Very low96 Ų96136.6 Ų136.667%0.67175%0.754SS**  trans-61.8151.1133.754.60000110.6
925Q23.2Very low25.3Very low191 Ų191128.1 Ų128.189%0.89372%0.716SS**  trans69.384.4168.2-56.8177.7-9.900117.8
926S23Very low25.4Very low93 Ų93124.2 Ų124.265%0.6569%0.69SS**  trans-155.1116.5145.859.20000112.9
927I24.3Very low25.4Very low153 Ų153122 Ų12279%0.78568%0.676SS**  trans51.592.6137.7-56.6168000115.3
928S23.3Very low25.7Very low94 Ų94117.9 Ų117.966%0.65766%0.655SS**  57.5128.177.978.10000115.6
929D22.5Very low25.7Very low148 Ų148117.2 Ų117.279%0.79165%0.65SS**  trans60.3101.1169.7-59.7-24.6000119.3
930T25.7Very low25.8Very low144 Ų144116 Ų11688%0.88364%0.643SS**  trans-166.4113.9130.49.10000112.2S932T930-S932 PolarHBondContact O-N 2.04Å
931H26.3Very low26Very low206 Ų206112.4 Ų112.495%0.95462%0.617SS**  trans-76.7115.4169.8-88.8-75000111.2
932S28.7Very low26.2Very low94 Ų94113.2 Ų113.266%0.65761%0.608SS**  trans-129.4101.2167.563.70000112.1T930 S934T930-S932 PolarHBondContact O-N 2.04Å; S932-S934 PolarHBondContact O-N 2.87Å
933R28.9Very low26.4Very low177 Ų177111.6 Ų111.667%0.66860%0.598SS**  trans-72.7119.4170.4-85.6176.4158.2159.1-9.1110.9D137 R333D137-R933 IonicContact OD2-CZ 3.17Å; D137-R933 VanDerWaalsContact OD2-CZ 3.26Å; D137-R933 IonicContact OD2-NE 3.59Å; D137-R933 PolarHBondContact OD2-NE 2.91Å; D137-R933 IonicContact OD2-NH2 3.51Å; D137-R933 PolarHBondContact OD2-NH2 3.38Å; R333-R933 PolarHBondContact NE-O 3.29Å; R333-R933 PolarHBondContact NH2-O 3.1Å
934S27.8Very low26.6Very low24 Ų24113 Ų11317%0.16860%0.597CS.*  trans170.4158.4145.254.90000109.5G329 R333 S932G329-S934 PolarHBondContact O-OG 2.94Å; R333-S934 WeakPolarHBondContact CG-OG 3.28Å; R333-S934 PolarHBondContact NE-OG 3.22Å; S932-S934 PolarHBondContact O-N 2.87Å
935G29.1Very low26.8Very low8 Ų8114.6 Ų114.68%0.08260%0.603CS.*  trans85.3133.7167.700000116.7R154R154-G935 VanDerWaalsContact NH1-C 3.32Å; R154-G935 PolarHBondContact NH1-O 3.34Å; R154-G935 PolarHBondContact NH2-O 2.87Å
936S27.5Very low26.9Very low39 Ų39113.4 Ų113.427%0.27360%0.603SS.*  trans-95.197.2-167.9320000112.5
937Y28.6Very low27.2Very low120 Ų120114.5 Ų114.547%0.47161%0.608SS.*  trans-137.6137.4169.9-80.6-89.3000110.4N328 L332 S939N328-Y937 HydrophobicContact CB-CD2 4.34Å; N328-Y937 HydrophobicContact CB-CE2 3.73Å; N328-Y937 WeakPolarHBondContact ND2-CE2 3.48Å; N328-Y937 PolarHBondContact ND2-OH 3.02Å; L332-Y937 HydrophobicContact CD1-CE2 4.34Å; Y937-S939 PolarHBondContact O-N 2.91Å; Y937-S939 VanDerWaalsContact O-N 3.14Å
938Y30.6Very low27.4Very low131 Ų131115.6 Ų115.651%0.51461%0.614SS.*  trans-66108.6175.6-59.2-78.6000110.3S100 I104S100-Y938 WeakPolarHBondContact CA-OH 3.15Å; S100-Y938 VanDerWaalsContact CB-OH 3.26Å; S100-Y938 WeakPolarHBondContact CB-OH 3.33Å; S100-Y938 PolarHBondContact OG-OH 3.22Å; I104-Y938 HydrophobicContact CD1-CD1 4.37Å; I104-Y938 HydrophobicContact CD1-CE1 3.88Å; I104-Y938 HydrophobicContact CG1-CE1 4.34Å
939S25.8Very low27.7Very low71 Ų71118.6 Ų118.650%0.49762%0.623SS.*  trans-92.9111.4163.557.70000108.7Y937 V941Y937-S939 PolarHBondContact O-N 2.91Å; Y937-S939 VanDerWaalsContact O-N 3.14Å; S939-V941 PolarHBondContact O-N 3.15Å
940I27.2Very low28Very low123 Ų123118.5 Ų118.563%0.63163%0.628SS**  trans-68.8126.6161.4-51.5176.1000106.4M149M149-I940 HydrophobicContact CB-CG2 3.95Å; M149-I940 HydrophobicContact CE-CG2 3.84Å; M149-I940 HydrophobicContact CG-CG2 4.22Å; M149-I940 HydrophobicContact SD-CG2 3.42Å; M149-I940 WeakPolarHBondContact SD-CG2 3.43Å
941V29.4Very low28.1Very low57 Ų57117 Ų11735%0.34562%0.62SS.*  trans-110.197.4-174.5-176.60000109.9V152 S939 T943V152-V941 HydrophobicContact CG2-CG2 4.37Å; S939-V941 PolarHBondContact O-N 3.15Å; V941-T943 PolarHBondContact O-N 2.99Å
942E26.9Very low28.2Very low129 Ų129115.4 Ų115.460%0.60362%0.615SS**  trans-66122.3166.7-75.3-177.8-177.200110.4M149M149-E942 HydrophobicContact CE-CG 3.62Å; M149-E942 HydrophobicContact SD-CB 4.47Å; M149-E942 HydrophobicContact SD-CG 3.49Å; M149-E942 WeakPolarHBondContact SD-CG 3.09Å
943T29.2Very low28.1Very low88 Ų88120.5 Ų120.554%0.5463%0.626SS.*  trans-95.397.9172.939.40000110.4V941 T945V941-T943 PolarHBondContact O-N 2.99Å; T943-T945 PolarHBondContact O-N 3.1Å
944K26.8Very low28Very low187 Ų187118.5 Ų118.581%0.81363%0.628SS**  trans-77.4106.6171.8-71.7-172176.9-178.40110.5
945T28.4Very low28.1Very low130 Ų130122.6 Ų122.680%0.79866%0.657SS**  trans-77129.2169.741.90000110.5T943T943-T945 PolarHBondContact O-N 3.1Å
946N26Very low28.1Very low165 Ų165129.8 Ų129.888%0.88269%0.692SS**  trans-125.2116.4172.2-128.419000107.1
947P28.3Very low28.1Very low117 Ų117132 Ų13276%0.7671%0.707SS**  trans-88.4125-167.932.4-33.7000113
948L29.6Very low28Very low175 Ų175134.5 Ų134.592%0.91672%0.723SS**  trans-150.3119.8160.8-103.5170.1000109.5
949N27.6Very low27.9Very low158 Ų158135.3 Ų135.385%0.84574%0.736SS**  trans-93.6132.7-170-72.2-36000113.5
950V29.5Very low27.8Very low145 Ų145140.1 Ų140.188%0.87976%0.755SS**  trans-144.7135.1145.5-176.10000108
951P28.6Very low27.9Very low112 Ų112139.1 Ų139.173%0.72776%0.759SS**  trans-108.7158.6-155.940.2-36.7000118.5
952M27.1Very low27.8Very low173 Ų173140.5 Ų140.585%0.85278%0.776SS**  trans42.6131.7147.5-76.8-167.9168.500123.3
953K27.9Very low27.8Very low202 Ų202141 Ų14188%0.87878%0.783SS**  -154.8103.2123.6-113.2171.2-175.4177.70114.1
954N26.2Very low27.7Very low134 Ų134143.9 Ų143.972%0.71779%0.791SS**  trans32.3116153.4-56.411.2000122.3
955S29.7Very low27.7Very low111 Ų111143.2 Ų143.278%0.77680%0.795SS**  trans-166.9110.2130.7-74.60000106.7
956I28.4Very low27.3Very low158 Ų158141.9 Ų141.981%0.8179%0.791SS**  57.4116.990.7-60.6171.7000111.9
957S27.9Very low27.4Very low85 Ų85142.5 Ų142.559%0.59479%0.793SS**  cis-167.3156.1-8.346.80000110.3
958E28Very low27.2Very low174 Ų174144.2 Ų144.281%0.81380%0.796SS**  trans61.5144150.8-72.4158.4-153.600119.7
959L27Very low27.2Very low147 Ų147143.1 Ų143.177%0.7780%0.796SS**  cis-140.7142.46.8-119.2157.6000110.5
960L24.5Very low27.3Very low173 Ų173144.6 Ų144.691%0.90680%0.798SS**  trans-131.2139166.5-88.2170.6000108.6
961S29.8Very low27.1Very low101 Ų101144.9 Ų144.971%0.70680%0.795SS**  trans-140.9116.7165.351.70000106.7
962A26.6Very low27.2Very low87 Ų87146.2 Ų146.272%0.71980%0.801SS**  60125.370.900000110.5
963N27.9Very low27.3Very low140 Ų140144.7 Ų144.775%0.74980%0.796SS**  cis-152.9161.221.4-122.928.9000108.6
964E25.6Very low27.6Very low148 Ų148139.8 Ų139.869%0.69279%0.787SS**  cis-146.9166.110.8-57.2-150153.100112.5
965L26.4Very low27.8Very low172 Ų172139.7 Ų139.790%0.90179%0.787SS**  -174.8148.9112.3-97.7167.5000110.7
966S21.7Very low27.9Very low103 Ų103143 Ų14372%0.7279%0.787SS**  trans-110155.9-167.457.50000114
967L28.4Very low27.8Very low178 Ų178140.5 Ų140.593%0.93278%0.784SS**  trans-166.5138.2150.4-107.4164.6000110.6
968N22.1Very low28Very low153 Ų153142.6 Ų142.682%0.81880%0.798SS**  trans-95.2139.6-173.2-76.7-45.7000113.5
969V31.3Very low28Very low151 Ų151140.4 Ų140.492%0.91580%0.802SS**  trans-142.8147.6141.6-174.70000108.1
970Q28.7Very low28Very low189 Ų189136.5 Ų136.588%0.88380%0.798SS**  trans-95.7164.8-166.1-69.4-178.9-20.900115.8
971N25.5Very low28.1Very low152 Ų152136.9 Ų136.981%0.81380%0.795SS**  trans-66.8157.7177.1-72.4-50.1000114.7
972T31.6Very low28Very low140 Ų140140.2 Ų140.286%0.85980%0.799SS**  179.7159.2127.226.70000110.7
973N29.4Very low27.8Very low141 Ų141145.7 Ų145.775%0.75481%0.807SS**  -161.1158.6-51.2-154.8-9.6000109.6
974S33.4Very low27.7Very low98 Ų98146.4 Ų146.469%0.68581%0.809SS**  trans68.7160.8161.892.90000117.6
975N30.5Very low27.6Very low133 Ų133146.5 Ų146.571%0.71181%0.814SS**  cis-164.9162-22.9-120.3-32000111.5
976K31.8Very low27.5Very low179 Ų179144.1 Ų144.178%0.77881%0.806SS**  trans52.9115.3152.8-67.4177.1-178.6179.80119.1
977S26.5Very low27.6Very low107 Ų107149.4 Ų149.475%0.74881%0.81SS**  93.2109.150.272.70000115.8
978S31.5Very low27.6Very low128 Ų128148.5 Ų148.590%0.89581%0.806SS**  trans-167.6164.5147.252.10000110.6
979S27.5Very low27.7Very low128 Ų128150.5 Ų150.590%0.89581%0.807SS**  trans-111.1153.1-17458.70000112.7
980G28.4Very low27.4Very low65 Ų65154.4 Ų154.467%0.6781%0.807SS**  trans-165.8118.7171.100000111.8
981E25.5Very low27.3Very low181 Ų181148.9 Ų148.985%0.84680%0.801SS**  trans-76.8122172.9-73.9-162.1114.300111
982H27.2Very low27.3Very low171 Ų171147.9 Ų147.979%0.79280%0.8SS**  trans-128.3106.3163.5-79.2-76.1000111.6L984H982-L984 VanDerWaalsContact C-N 3.34Å; H982-L984 PolarHBondContact O-N 3.38Å
983K23.8Very low27.2Very low203 Ų203147.8 Ų147.888%0.88380%0.8SS**  trans-68.787.1165.7-75173.1178.4162.10109.9L985K983-L985 PolarHBondContact O-N 3.16Å
984L25.1Very low27Very low154 Ų154146.4 Ų146.481%0.80680%0.801SS**  trans-87106.6172.2-95.4166.1000111.5H982 V986H982-L984 VanDerWaalsContact C-N 3.34Å; H982-L984 PolarHBondContact O-N 3.38Å; L984-V986 PolarHBondContact O-N 3.07Å; L984-V986 VanDerWaalsContact O-N 3.16Å
985L22.9Very low27.1Very low150 Ų150147.3 Ų147.379%0.78581%0.805SS**  trans-80.788-178.9-172.9114.2000110.8K983 R987K983-L985 PolarHBondContact O-N 3.16Å; L985-R987 HydrophobicContact CD2-CB 4.21Å; L985-R987 PolarHBondContact O-N 3.48Å
986V26Very low27.1Very low122 Ų122147.1 Ų147.174%0.73981%0.811SS**  trans-70.788-180-177.40000111.3L984 L988L984-V986 PolarHBondContact O-N 3.07Å; L984-V986 VanDerWaalsContact O-N 3.16Å; V986-L988 HydrophobicContact CG1-CD1 4.1Å; V986-L988 HydrophobicContact CG1-CG 3.95Å; V986-L988 PolarHBondContact O-N 3.46Å
987R22.3Very low26.8Very low215 Ų215150.5 Ų150.581%0.81182%0.819SS**  trans-93.273.9176.3-170.8-178.8-173.3170.92.6110.6L985 K989L985-R987 HydrophobicContact CD2-CB 4.21Å; L985-R987 PolarHBondContact O-N 3.48Å; R987-K989 PolarHBondContact O-N 2.88Å
988L27.9Very low27Very low159 Ų159150.6 Ų150.683%0.83282%0.819SS**  trans-67.5131.1174.6-78.2168.5000110.7V986V986-L988 HydrophobicContact CG1-CD1 4.1Å; V986-L988 HydrophobicContact CG1-CG 3.95Å; V986-L988 PolarHBondContact O-N 3.46Å
989K25.6Very low27Very low195 Ų195154.1 Ų154.185%0.84882%0.819SS**  trans-83.4149.2-168.8-64.8175.7179.1175.20111.8R987 G991R987-K989 PolarHBondContact O-N 2.88Å; K989-G991 PolarHBondContact O-N 3.01Å
990Y23.8Very low26.9Very low233 Ų233153.4 Ų153.491%0.91481%0.813SS**  trans-62.9115.5155.1-77.1-92000109
991G27.7Very low26.9Very low73 Ų73157 Ų15775%0.75382%0.822SS**  trans-97.298.2172.400000110.7K989K989-G991 PolarHBondContact O-N 3.01Å
992T24.9Very low27.1Very low131 Ų131154.9 Ų154.980%0.80482%0.822SS**  trans-88.9115.8175.349.90000111
993T30.2Very low27.1Very low137 Ų137153.1 Ų153.184%0.8482%0.823SS**  trans-124.5107172530000110.5
994S24.9Very low27.4Very low113 Ų113148.9 Ų148.979%0.7982%0.816SS**  trans-114.2122.9-179.355.80000112.1
995P35Very low27.5Very low116 Ų116149.3 Ų149.375%0.75382%0.819SS**PPolyproline II helixtrans-71.3163.8156.5-13.430.3000111.1
996P30.8Very low27.7Very low130 Ų130146 Ų14684%0.84480%0.802SS**PPolyproline II helixtrans-81.7159.7-157.530.6-36.5000116.4
997R26.2Very low27.7Very low250 Ų250145.7 Ų145.794%0.94380%0.801SS**PPolyproline II helixtrans-71.1139.8172.5-69.7170.5164.7172.3-6.3112.3
998S30.5Very low27.8Very low109 Ų109143.4 Ų143.476%0.76280%0.804SS**  trans-146.8109146.961.50000112.5
999K30Very low27.8Very low202 Ų202143.4 Ų143.488%0.87880%0.799SS**  trans35.3100.8150.9-58.4177-176.6178.30116.8
1000S26.6Very low27.8Very low112 Ų112144.5 Ų144.578%0.78380%0.798SS**  87.994.278.3176.20000114.7
1001T29.1Very low27.9Very low140 Ų140138 Ų13886%0.85979%0.792SS**  trans-153.7144.7139.12.50000109.8
1002T27.9Very low27.9Very low138 Ų138141.8 Ų141.885%0.84779%0.79SS**  trans-77133.6-165.648.30000114.4
1003V28.1Very low27.9Very low133 Ų133141.7 Ų141.781%0.80679%0.79SS**  trans-132.3130.7161.4-176.60000107.9
1004P30Very low27.8Very low115 Ų115141.1 Ų141.175%0.74778%0.78SS**  trans-77.6156.6-17130.4-35.5000114.2
1005N26.3Very low27.9Very low162 Ų162139.8 Ų139.887%0.86677%0.771SS**  trans-57.5147.7-172.9-60.2-48.5000114.8
1006L26.9Very low27.5Very low80 Ų80140.7 Ų140.742%0.41977%0.769SS.*  trans-119.8120.6164.9-90.3127.3000111.6S448 N449 L1008S448-L1006 VanDerWaalsContact OG-CD2 3.31Å; S448-L1006 WeakPolarHBondContact OG-CD2 3.2Å; N449-L1006 HydrophobicContact CB-CD1 4.09Å; N449-L1006 HydrophobicContact CB-CD2 3.62Å; N449-L1006 HydrophobicContact CB-CG 4.5Å; N449-L1006 VanDerWaalsContact CG-CD1 3.42Å; N449-L1006 WeakPolarHBondContact OD1-CD1 3.14Å; L1006-L1008 PolarHBondContact O-N 3.32Å
1007T26.4Very low27.3Very low116 Ų116142.8 Ų142.871%0.71276%0.762SS**  trans-77.1103.2-175.3-30.70000110.4H1009T1007-H1009 PolarHBondContact O-N 3.3Å
1008L25.5Very low27.4Very low167 Ų167141.6 Ų141.687%0.87476%0.757SS**  trans-7771.8-179.2-138.1172.6000110.8L1006 R1010L1006-L1008 PolarHBondContact O-N 3.32Å; L1008-R1010 PolarHBondContact O-N 3.04Å; L1008-R1010 VanDerWaalsContact O-N 3.09Å
1009H27.1Very low27.3Very low160 Ų160144.3 Ų144.374%0.74176%0.762SS**  trans-72105.5-176.5-110.5-75.3000112T1007T1007-H1009 PolarHBondContact O-N 3.3Å
1010R26.3Very low27.4Very low217 Ų217140.4 Ų140.482%0.81976%0.758SS**  trans-54.3139.9174.1-74.1167.2150.4148.4-12.2112.5L1008L1008-R1010 PolarHBondContact O-N 3.04Å; L1008-R1010 VanDerWaalsContact O-N 3.09Å
1011A26.1Very low27.5Very low97 Ų97145.9 Ų145.980%0.80276%0.761SS**  trans-134.235.7144.500000111.2T1013A1011-T1013 PolarHBondContact O-N 2.97Å; A1011-T1013 VanDerWaalsContact O-N 3.08Å
1012H27.6Very low27.5Very low152 Ų152145.6 Ų145.670%0.70475%0.754SS**  trans-69.599.3165.7-84.6-88.1000109.1I1014H1012-I1014 HydrophobicContact CB-CG1 4.44Å; H1012-I1014 PolarHBondContact O-N 2.97Å
1013T25.5Very low27.7Very low130 Ų130146.1 Ų146.180%0.79875%0.752SS**  trans-76.558.216341.50000110.8A1011 S1015A1011-T1013 PolarHBondContact O-N 2.97Å; A1011-T1013 VanDerWaalsContact O-N 3.08Å; T1013-S1015 PolarHBondContact O-N 3.19Å
1014I27.2Very low27.6Very low124 Ų124146.7 Ų146.764%0.63675%0.75SS**  trans-70.692.6152.3-62.2173.9000104.8H1012 D1016H1012-I1014 HydrophobicContact CB-CG1 4.44Å; H1012-I1014 PolarHBondContact O-N 2.97Å; I1014-D1016 PolarHBondContact O-N 3.25Å; I1014-D1016 VanDerWaalsContact O-N 3.14Å
1015S27.7Very low27.6Very low86 Ų86151.5 Ų151.560%0.60175%0.754SS**  trans-7796.1168.252.10000108.1T1013 Y1017T1013-S1015 PolarHBondContact O-N 3.19Å; S1015-Y1017 PolarHBondContact O-N 3.36Å
1016D25.5Very low27.6Very low134 Ų134152.7 Ų152.772%0.71775%0.747SS**  trans-61.481.4166.2-73.8-26.1000109.3I1014 R1018I1014-D1016 PolarHBondContact O-N 3.25Å; I1014-D1016 VanDerWaalsContact O-N 3.14Å; D1016-R1018 PolarHBondContact O-N 3.36Å
1017Y27.5Very low27.8Very low175 Ų175155.8 Ų155.869%0.68677%0.769SS**  trans-71.377.2169.1-92.9-76.8000109.2S1015 L1019S1015-Y1017 PolarHBondContact O-N 3.36Å; Y1017-L1019 PolarHBondContact O-N 3.24Å; Y1017-L1019 VanDerWaalsContact O-N 3.12Å
1018R28.2Very low27.8Very low225 Ų225158.4 Ų158.485%0.84977%0.771SS**  trans-54.2114.4159.5-71.4-176.9173.9-170.6-2107.7D1016 P1020D1016-R1018 PolarHBondContact O-N 3.36Å; R1018-P1020 VanDerWaalsContact O-CD 3.26Å; R1018-P1020 WeakPolarHBondContact O-CD 3.29Å
1019L28.4Very low28Very low165 Ų165155.5 Ų155.586%0.86476%0.764SS**PPolyproline II helixtrans-56119.8167.8-75.6160.8000109.2Y1017 R1021Y1017-L1019 PolarHBondContact O-N 3.24Å; Y1017-L1019 VanDerWaalsContact O-N 3.12Å; L1019-R1021 PolarHBondContact O-N 3.47Å
1020P31.7Very low28.1Very low120 Ų120156 Ų15678%0.77977%0.769SS**PPolyproline II helixtrans-65.2126.7161-12.929.5000107.6R1018R1018-P1020 VanDerWaalsContact O-CD 3.26Å; R1018-P1020 WeakPolarHBondContact O-CD 3.29Å
1021R29.7Very low28.3Very low228 Ų228152.5 Ų152.586%0.8677%0.767SS**PPolyproline II helixtrans-78.1134.5165.7-79.7-177.8172178.3-3.9108.7L1019L1019-R1021 PolarHBondContact O-N 3.47Å
1022N29.1Very low28.4Very low133 Ų133154.2 Ų154.271%0.71177%0.767SS**  trans62.4144.1158.4-51.58.4000114.4
1023D30.1Very low28.6Very low149 Ų149152.2 Ų152.280%0.79777%0.768SS**  cis-144.6172.447-89.7-46.6000114.2
1024L27.5Very low28.8Very low146 Ų146153 Ų15376%0.76477%0.772SS**  trans-100.5130.6-178-48.992.2000112.5
1025Y29.9Very low29Very low215 Ų215150.8 Ų150.884%0.84377%0.772SS**  trans-148.4118.4144.6-73.3-70.4000107.8
1026R26.7Very low29.2Very low187 Ų187153 Ų15371%0.70678%0.777SS**  cis87.8100.446.8-169.6-159.1-152.7-172.714.9113
1027T29.7Very low29.6Very low146 Ų146155.9 Ų155.990%0.89678%0.784SS**  trans-124.6160.9151.645.10000109.2
1028K26.1Very low29.8Very low170 Ų170151.8 Ų151.874%0.73979%0.786SS**  trans-134.8145-167.7-79.5-177.9167.8-172.10113
1029S30.2Very low30Very low106 Ų106146.5 Ų146.574%0.74178%0.782SS**  trans-153.9119.1141.940.10000106.7
1030M28.6Very low30.3Very low170 Ų170146 Ų14684%0.83778%0.778SS**  61.9117.889.5-76.1174.2142.300112.2
1031N30.6Very low30.4Very low144 Ų144146.2 Ų146.277%0.7778%0.777SS**  cis-123.8-158.95.6-69-48.2000110.1
1032V30.1Very low30.5Very low134 Ų134140 Ų14081%0.81277%0.769SS**  cis-142.7152.613.5175.50000108
1033P30.1Very low30.6Very low110 Ų110141 Ų14171%0.71477%0.771SS**  trans-105.3155.2-158.839-35.1000117.2
1034T30.9Very low30.6Very low145 Ų145141.9 Ų141.989%0.8977%0.771SS**  trans-177.8137.5137.419.50000107.9
1035A31.5Very low30.8Very low78 Ų78139.6 Ų139.665%0.64577%0.767SS**  cis-154.5178-8.100000111
1036N31.7Very low30.8Very low132 Ų132140.6 Ų140.671%0.70677%0.769SS**  trans76.7103154.1-67.10.5000121.8
1037F32.5Very low31.1Very low195 Ų195136.7 Ų136.786%0.85577%0.771SS**  trans57.8147.3145.3-52.2-70.2000120.8
1038A32.9Very low31.2Very low89 Ų89135.9 Ų135.974%0.73677%0.765SS**  cis-159.7161.6-21.500000109.3
1039P32.3Very low31.5Very low115 Ų115136.1 Ų136.175%0.74777%0.769SS**  trans-110.6-176.4-166.942.3-35.5000114.8
1040I34Very low31.6Very low153 Ų153138.8 Ų138.879%0.78577%0.774SS**  trans-179.7126.7138.6-96.8157.5000113.4
1041T34.2Very low31.8Very low125 Ų125146 Ų14677%0.76779%0.792SS**  trans37.3155.1150.763.40000124
1042S32.6Very low31.8Very low99 Ų99146.1 Ų146.169%0.69279%0.793SS**  cis-168.8150.3-4.638.70000114.1
1043M31Very low31.9Very low153 Ų153146.7 Ų146.775%0.75479%0.792SS**  trans57.2121.8142.6-69.3-177.9119.800124.5
1044E29.3Very low32Very low168 Ų168148.7 Ų148.779%0.78580%0.796SS**  62.8147.7122.5-64-171.1168.100122.2
1045S32.5Very low32.1Very low98 Ų98148.9 Ų148.969%0.68579%0.79SS**  cis-154.9169.63.351.70000113.4
1046R29.8Very low32.1Very low235 Ų235153.4 Ų153.489%0.88780%0.8SS**  trans20.4134.5154.3-53.9171.5-177.4176.11.2118.7
1047S32.4Very low32.2Very low106 Ų106154.8 Ų154.874%0.74181%0.806SS**  -175.8146.764.8-59.80000115.2
1048V31.5Very low32.1Very low128 Ų128151.9 Ų151.978%0.77680%0.802SS**  trans33.6112.1137.6-169.70000121.4
1049E32.1Very low32.1Very low176 Ų176156.8 Ų156.882%0.82281%0.807SS**  -175.9111.2114.9-95.5-171.2163.100107.3
1050L33.6Very low32.1Very low162 Ų162160.3 Ų160.385%0.84881%0.812SS**  77.7140.688.3-82.3171000114.9
1051R32Very low31.9Very low320 Ų320160.9 Ų160.9100%1.20882%0.815SS**  trans-83.70-157.2-69.5176.9173.6166.5-3.4114.9

Retrieved 1,051 of 1,051 residues in 783.9 ms (Link to these results)

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