A0A077YYM3_TRITR Loading...

Histone deacetylase

AlphaFold DB , UniProt , Accession A0A077YYM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 393 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
1M80.2Confident93.6Very high196 Ų19648.4 Ų48.497%0.96626%0.258SS*.  0139.50-74.2-166.4-76.600107
2P90.6Very high93.5Very high42 Ų4244.3 Ų44.327%0.27324%0.237SC..  trans-61.7142.8177.726.4-32.8000110.5D123 I124P2-D123 WeakPolarHBondContact CA-OD2 3.34Å; P2-D123 HydrophobicContact CB-CB 3.69Å; P2-I124 HydrophobicContact CB-CD1 3.97Å; P2-I124 HydrophobicContact CB-CG1 4.14Å; P2-I124 HydrophobicContact CG-CD1 3.87Å
3T96.7Very high93.2Very high70 Ų7048.7 Ų48.743%0.42926%0.255SS..  trans-79.113716852.30000109.5C122 D123 I124T3-C122 WeakPolarHBondContact OG1-CA 3.2Å; T3-D123 PolarHBondContact N-OD2 3.25Å; T3-D123 PolarHBondContact O-N 3.13Å; T3-D123 PolarHBondContact OG1-N 3.37Å; T3-D123 PolarHBondContact OG1-OD2 3.44Å; T3-I124 PolarHBondContact O-N 3.4Å; T3-I124 VanDerWaalsContact O-N 3.08Å
4I98.5Very high93.2Very high8 Ų851.1 Ų51.14%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-124.7126.2-172-49.5-172.8000109.9M44 D45 I124 I126 L313 L314I4-M44 HydrophobicContact CB-CG 4.06Å; I4-M44 HydrophobicContact CG2-CG 3.93Å; I4-M44 HydrophobicContact CG2-SD 3.84Å; I4-M44 VanDerWaalsContact O-CA 3.31Å; I4-M44 WeakPolarHBondContact O-CA 3.33Å; I4-M44 WeakPolarHBondContact O-CB 3.18Å; I4-D45 PolarHBondContact O-N 3.04Å; I4-I124 CarbonylContact C-O 3.55Å; I4-I124 VanDerWaalsContact CA-O 3.24Å; I4-I124 WeakPolarHBondContact CA-O 3.28Å; I4-I124 HydrophobicContact CD1-CD1 4.38Å; I4-I124 HydrophobicContact CG1-CB 4.15Å; I4-I124 HydrophobicContact CG1-CD1 4.49Å; I4-I124 HydrophobicContact CG2-CB 4.26Å; I4-I124 HydrophobicContact CG2-CG2 4.26Å; I4-I126 HydrophobicContact CG2-CD1 3.68Å; I4-I126 HydrophobicContact CG2-CG1 4.1Å; I4-L313 HydrophobicContact CD1-CB 4.01Å; I4-L313 WeakPolarHBondContact CD1-O 3.14Å; I4-L314 HydrophobicContact CB-CD2 4.35Å; I4-L314 HydrophobicContact CD1-CD2 3.55Å; I4-L314 HydrophobicContact CD1-CG 4Å; I4-L314 HydrophobicContact CG1-CD2 4.26Å
5S98.4Very high93.3Very high1 Ų149 Ų491%0.00727%0.272CS..EExtended strand (participates in β ladder)trans-101.2147.1168.272.70000111.4H7 D45 C122 I124 A125 I126S5-H7 PolarHBondContact OG-CD2 3.42Å; S5-H7 PolarHBondContact OG-NE2 2.92Å; S5-D45 CarbonylContact C-O 3.54Å; S5-D45 VanDerWaalsContact CA-O 3.25Å; S5-D45 WeakPolarHBondContact CA-O 3.23Å; S5-C122 PolarHBondContact OG-SG 3.46Å; S5-I124 PolarHBondContact N-O 2.63Å; S5-A125 WeakPolarHBondContact OG-CA 3.26Å; S5-A125 VanDerWaalsContact OG-CB 3.29Å; S5-A125 WeakPolarHBondContact OG-CB 3.4Å; S5-I126 PolarHBondContact O-N 2.95Å
6Y98.6Very high93.3Very high2 Ų251 Ų511%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-125.1120.2174.8173.1-124.5000110.2Y8 H32 L35 L41 M44 D45 C46 Y47 I126 W128Y6-Y8 HydrophobicContact CE1-CG 4.36Å; Y6-Y8 WeakPolarHBondContact OH-CD2 3.46Å; Y6-H32 AromaticContact CE1-CE1 3.86Å; Y6-H32 AromaticContact CE1-ND1 3.41Å; Y6-H32 WeakPolarHBondContact CE1-ND1 3.31Å; Y6-H32 AromaticContact CZ-ND1 3.77Å; Y6-H32 PolarHBondContact OH-ND1 3.24Å; Y6-L35 HydrophobicContact CE1-CD1 4.01Å; Y6-L35 HydrophobicContact CE2-CD1 4.08Å; Y6-L41 HydrophobicContact CD1-CD2 3.63Å; Y6-L41 HydrophobicContact CE1-CD2 3.59Å; Y6-M44 HydrophobicContact CD1-CE 4.29Å; Y6-M44 HydrophobicContact CG-CE 4.1Å; Y6-D45 PolarHBondContact N-O 3.47Å; Y6-C46 CarbonylContact O-C 3.52Å; Y6-C46 WeakPolarHBondContact O-CA 3.27Å; Y6-Y47 PolarHBondContact O-N 3.29Å; Y6-I126 HydrophobicContact CD2-CB 4.11Å; Y6-I126 HydrophobicContact CD2-CG2 3.98Å; Y6-I126 HydrophobicContact CE2-CG2 4.44Å; Y6-W128 AromaticContact CE2-CD1 3.63Å; Y6-W128 HydrophobicContact CE2-CG 4.49Å
7H98.3Very high93.3Very high2 Ų248.5 Ų48.51%0.00926%0.264CS..EExtended strand (participates in β ladder)trans-105.2109.4-176-66.7-100.6000109.1S5 Y47 S49 A109 A113 V116 I126 N127S5-H7 PolarHBondContact OG-CD2 3.42Å; S5-H7 PolarHBondContact OG-NE2 2.92Å; H7-Y47 AromaticContact CE1-CD2 3.8Å; H7-Y47 AromaticContact NE2-CD2 3.86Å; H7-S49 PolarHBondContact ND1-OG 3.41Å; H7-A109 HydrophobicContact CB-CB 4.23Å; H7-A113 HydrophobicContact CB-CB 4.47Å; H7-V116 WeakPolarHBondContact NE2-CG2 3.49Å; H7-I126 PolarHBondContact N-O 3.05Å; H7-N127 HydrophobicContact CB-CB 4.45Å; H7-N127 PolarHBondContact O-OD1 3.48Å
8Y96.1Very high93.3Very high31 Ų3147.3 Ų47.312%0.12227%0.265CS..EExtended strand (participates in β ladder)trans-125.2137.8-178.7175.5-111.5000110.1Y6 E10 I28 H32 Y47Y6-Y8 HydrophobicContact CE1-CG 4.36Å; Y6-Y8 WeakPolarHBondContact OH-CD2 3.46Å; Y8-E10 HydrophobicContact CD1-CG 4.33Å; Y8-E10 HydrophobicContact CE1-CG 3.78Å; Y8-I28 HydrophobicContact CD2-CG2 4.36Å; Y8-I28 HydrophobicContact CE2-CG2 4.05Å; Y8-H32 AromaticContact CD1-CE1 3.53Å; Y8-H32 AromaticContact CD1-ND1 3.54Å; Y8-H32 HydrophobicContact CD2-CB 4.33Å; Y8-H32 AromaticContact CD2-ND1 3.78Å; Y8-H32 AromaticContact CE1-CE1 3.85Å; Y8-H32 AromaticContact CE1-CG 3.95Å; Y8-H32 AromaticContact CE1-ND1 3.79Å; Y8-H32 HydrophobicContact CE2-CB 3.94Å; Y8-H32 AromaticContact CG-CE1 3.93Å; Y8-H32 AromaticContact CG-ND1 3.53Å; Y8-H32 AromaticContact CZ-CG 3.89Å; Y8-Y47 PolarHBondContact N-O 3.19Å; Y8-Y47 VanDerWaalsContact N-O 3.12Å
9S91Very high93Very high5 Ų552.3 Ų52.34%0.03529%0.291CS..  trans-115.5121.1174.5-65.10000108.7M12S9-M12 VanDerWaalsContact O-CG 3.29Å; S9-M12 WeakPolarHBondContact O-CG 3.45Å
10E90.7Very high93Very high151 Ų15158.8 Ų58.871%0.70632%0.321SS*.THydrogen-bonded Turntrans-65.8155.2177.6-67.1179.1179.900112.2Y8 K105Y8-E10 HydrophobicContact CD1-CG 4.33Å; Y8-E10 HydrophobicContact CE1-CG 3.78Å; E10-K105 PolarHBondContact O-NZ 2.79Å
11G90.7Very high93.1Very high24 Ų2456.7 Ų56.725%0.24731%0.309CS..THydrogen-bonded Turntrans83.29.9175.800000115E13 A14 F15G11-E13 VanDerWaalsContact CA-OE2 3.24Å; G11-E13 WeakPolarHBondContact CA-OE2 3.17Å; G11-E13 PolarHBondContact N-OE2 3.36Å; G11-E13 PolarHBondContact O-N 3.22Å; G11-A14 WeakPolarHBondContact O-CB 3.38Å; G11-A14 PolarHBondContact O-N 2.86Å; G11-A14 VanDerWaalsContact O-N 3.14Å; G11-F15 WeakPolarHBondContact O-CE2 3.32Å
12M92.4Very high93.9Very high0 Ų048.6 Ų48.60%027%0.271CS..G310 helixtrans-60.5-27.5177.8-75-66.5-168.400113.5S9 A14 F15 P25 I28 V29 F102 K105S9-M12 VanDerWaalsContact O-CG 3.29Å; S9-M12 WeakPolarHBondContact O-CG 3.45Å; M12-A14 VanDerWaalsContact C-N 3.26Å; M12-A14 PolarHBondContact O-N 2.89Å; M12-F15 WeakPolarHBondContact O-CD2 3.41Å; M12-F15 PolarHBondContact O-N 3.11Å; M12-F15 HydrophobicContact SD-CD2 4.28Å; M12-F15 HydrophobicContact SD-CE2 4.25Å; M12-P25 WeakPolarHBondContact O-CB 3.41Å; M12-I28 HydrophobicContact CB-CB 4.34Å; M12-I28 HydrophobicContact CB-CD1 4.09Å; M12-I28 HydrophobicContact CB-CG2 4.34Å; M12-I28 HydrophobicContact CG-CD1 4.15Å; M12-I28 HydrophobicContact CG-CG2 4.32Å; M12-I28 HydrophobicContact SD-CD1 4.29Å; M12-V29 HydrophobicContact CB-CG2 4.44Å; M12-F102 HydrophobicContact SD-CD2 3.76Å; M12-F102 HydrophobicContact SD-CE2 3.79Å; M12-K105 HydrophobicContact CE-CB 3.38Å; M12-K105 HydrophobicContact CE-CD 4.47Å; M12-K105 HydrophobicContact SD-CB 4.23Å; M12-K105 HydrophobicContact SD-CD 4.42Å
13E89.4Confident94.2Very high101 Ų10146.9 Ų46.947%0.47226%0.259SS..G310 helixtrans-69.8-18.4176.970.2-75.2-168.300114.3G11 F15 V29G11-E13 VanDerWaalsContact CA-OE2 3.24Å; G11-E13 WeakPolarHBondContact CA-OE2 3.17Å; G11-E13 PolarHBondContact N-OE2 3.36Å; G11-E13 PolarHBondContact O-N 3.22Å; E13-F15 PolarHBondContact O-N 3.13Å; E13-V29 HydrophobicContact CB-CB 4.41Å; E13-V29 HydrophobicContact CB-CG2 3.7Å; E13-V29 HydrophobicContact CG-CG2 4.27Å; E13-V29 VanDerWaalsContact OE2-CG2 3.26Å; E13-V29 WeakPolarHBondContact OE2-CG2 3.26Å
14A92.7Very high94.1Very high82 Ų8245.7 Ų45.768%0.67825%0.249SC*.G310 helixtrans-72.8-21.1177.600000112.2G11 M12G11-A14 WeakPolarHBondContact O-CB 3.38Å; G11-A14 PolarHBondContact O-N 2.86Å; G11-A14 VanDerWaalsContact O-N 3.14Å; M12-A14 VanDerWaalsContact C-N 3.26Å; M12-A14 PolarHBondContact O-N 2.89Å
15F95.2Very high94Very high20 Ų2045.5 Ų45.59%0.08825%0.248CC..  trans-85.4138.5-179.9-54.2-69.4000111.8G11 M12 E13 P25 F96 G98 N101 F102 K105G11-F15 WeakPolarHBondContact O-CE2 3.32Å; M12-F15 WeakPolarHBondContact O-CD2 3.41Å; M12-F15 PolarHBondContact O-N 3.11Å; M12-F15 HydrophobicContact SD-CD2 4.28Å; M12-F15 HydrophobicContact SD-CE2 4.25Å; E13-F15 PolarHBondContact O-N 3.13Å; F15-P25 HydrophobicContact CB-CB 4.39Å; F15-P25 HydrophobicContact CB-CG 4.23Å; F15-P25 WeakPolarHBondContact O-CG 3.42Å; F15-F96 HydrophobicContact CB-CE2 3.98Å; F15-F96 HydrophobicContact CD1-CE2 4.24Å; F15-F96 HydrophobicContact CG-CE2 4.47Å; F15-G98 WeakPolarHBondContact CE1-O 3.28Å; F15-N101 HydrophobicContact CE1-CB 3.99Å; F15-N101 HydrophobicContact CZ-CB 4.02Å; F15-F102 HydrophobicContact CB-CB 4.31Å; F15-F102 HydrophobicContact CB-CD2 4Å; F15-F102 HydrophobicContact CB-CG 4.26Å; F15-F102 HydrophobicContact CD1-CB 3.74Å; F15-F102 HydrophobicContact CD2-CB 3.92Å; F15-F102 AromaticContact CD2-CD2 3.49Å; F15-F102 HydrophobicContact CD2-CD2 3.49Å; F15-F102 VanDerWaalsContact CD2-CD2 3.49Å; F15-F102 HydrophobicContact CD2-CE2 4.45Å; F15-F102 HydrophobicContact CD2-CG 4.12Å; F15-F102 HydrophobicContact CE1-CB 3.96Å; F15-F102 HydrophobicContact CE2-CB 4.15Å; F15-F102 HydrophobicContact CE2-CD2 4.13Å; F15-F102 HydrophobicContact CG-CB 3.71Å; F15-F102 AromaticContact CG-CD2 3.81Å; F15-F102 HydrophobicContact CG-CD2 3.81Å; F15-F102 HydrophobicContact CG-CG 4.06Å; F15-F102 HydrophobicContact CZ-CB 4.16Å; F15-K105 HydrophobicContact CE2-CD 3.7Å; F15-K105 HydrophobicContact CZ-CD 3.89Å
16H93Very high93.9Very high81 Ų8151.7 Ų51.738%0.37527%0.271SS..  trans-148.9115.1-174.8-168.3-99.2000111.9G18 D19 K24 F96H16-G18 PolarHBondContact CE1-O 2.87Å; H16-G18 WeakPolarHBondContact ND1-CA 3.37Å; H16-G18 PolarHBondContact ND1-N 2.8Å; H16-G18 PolarHBondContact O-N 2.9Å; H16-D19 VanDerWaalsContact CE1-CA 3.5Å; H16-D19 WeakPolarHBondContact CE1-CA 3.29Å; H16-D19 PolarHBondContact CE1-N 2.9Å; H16-D19 IonicContact CE1-OD1 2.64Å; H16-D19 PolarHBondContact CE1-OD1 3.17Å; H16-D19 IonicContact NE2-OD1 2.63Å; H16-K24 PolarHBondContact NE2-NZ 2.92Å; H16-F96 WeakPolarHBondContact O-CB 3.42Å
17Y93.7Very high93.8Very high9 Ų951.9 Ų51.94%0.03527%0.272CS..SBendtrans-66.8-16.2-179-79.8-125.9000113.4H21 M23 P25 P94 F96 F102 F143 Y145Y17-H21 VanDerWaalsContact CB-CG 3.45Å; Y17-H21 WeakPolarHBondContact CB-ND1 3.25Å; Y17-H21 AromaticContact CD1-CE1 3.33Å; Y17-H21 WeakPolarHBondContact CD1-CE1 3.47Å; Y17-H21 AromaticContact CD1-ND1 3.51Å; Y17-H21 AromaticContact CD1-NE2 3.74Å; Y17-H21 AromaticContact CE1-CE1 3.99Å; Y17-H21 AromaticContact CG-ND1 3.72Å; Y17-M23 HydrophobicContact CD1-CB 4.18Å; Y17-M23 HydrophobicContact CD1-CG 4.48Å; Y17-M23 HydrophobicContact CD2-CB 4.45Å; Y17-M23 HydrophobicContact CD2-CG 4.17Å; Y17-M23 HydrophobicContact CE1-CB 4.24Å; Y17-M23 HydrophobicContact CE1-CG 4.18Å; Y17-M23 HydrophobicContact CE2-CG 3.88Å; Y17-M23 HydrophobicContact CG-CB 4.27Å; Y17-M23 HydrophobicContact CG-CG 4.46Å; Y17-P25 HydrophobicContact CD2-CG 4.15Å; Y17-P25 HydrophobicContact CE2-CG 4.17Å; Y17-P94 HydrophobicContact CD1-CG 4.47Å; Y17-P94 WeakPolarHBondContact O-CG 3.36Å; Y17-F96 HydrophobicContact CD1-CD1 4.47Å; Y17-F96 HydrophobicContact CD1-CE1 4.13Å; Y17-F96 HydrophobicContact CD2-CD1 4.04Å; Y17-F96 AromaticContact CD2-CE1 3.49Å; Y17-F96 HydrophobicContact CD2-CE1 3.49Å; Y17-F96 VanDerWaalsContact CD2-CE1 3.49Å; Y17-F96 AromaticContact CD2-CZ 3.87Å; Y17-F96 HydrophobicContact CD2-CZ 3.87Å; Y17-F96 HydrophobicContact CE1-CE1 4.14Å; Y17-F96 HydrophobicContact CE2-CD1 4.44Å; Y17-F96 AromaticContact CE2-CE1 3.47Å; Y17-F96 HydrophobicContact CE2-CE1 3.47Å; Y17-F96 VanDerWaalsContact CE2-CE1 3.47Å; Y17-F96 AromaticContact CE2-CZ 3.63Å; Y17-F96 HydrophobicContact CE2-CZ 3.63Å; Y17-F96 HydrophobicContact CG-CD1 4.05Å; Y17-F96 AromaticContact CG-CE1 3.84Å; Y17-F96 HydrophobicContact CG-CE1 3.84Å; Y17-F96 AromaticContact CZ-CE1 3.82Å; Y17-F102 HydrophobicContact CE2-CD1 4.33Å; Y17-F102 AromaticContact CE2-CE1 3.82Å; Y17-F102 HydrophobicContact CE2-CE1 3.82Å; Y17-F102 HydrophobicContact CE2-CZ 4.36Å; Y17-F102 WeakPolarHBondContact OH-CE1 3.23Å; Y17-F143 HydrophobicContact CE1-CB 4.09Å; Y17-F143 WeakPolarHBondContact CE1-O 3.47Å; Y17-F143 PolarHBondContact OH-O 3.5Å; Y17-Y145 AromaticContact CE1-CE2 3.61Å; Y17-Y145 HydrophobicContact CE1-CE2 3.61Å; Y17-Y145 AromaticContact CZ-CE2 3.7Å; Y17-Y145 WeakPolarHBondContact OH-CE2 3.06Å
18G92.4Very high93.8Very high27 Ų2752 Ų5228%0.27827%0.272SS..  trans131.2152.9-17400000111.6H16 M20 H21 K24H16-G18 PolarHBondContact CE1-O 2.87Å; H16-G18 WeakPolarHBondContact ND1-CA 3.37Å; H16-G18 PolarHBondContact ND1-N 2.8Å; H16-G18 PolarHBondContact O-N 2.9Å; G18-M20 VanDerWaalsContact C-N 3.31Å; G18-M20 PolarHBondContact O-N 3.26Å; G18-H21 WeakPolarHBondContact O-CB 3.44Å; G18-H21 PolarHBondContact O-N 2.75Å; G18-H21 VanDerWaalsContact O-N 3.1Å; G18-K24 PolarHBondContact O-NZ 3.21Å
19D89.1Confident93.8Very high141 Ų14151.3 Ų51.375%0.75427%0.271SS*.THydrogen-bonded Turntrans-59.9-42.1-169.2-69.7-30.7000112.3H16 K24H16-D19 VanDerWaalsContact CE1-CA 3.5Å; H16-D19 WeakPolarHBondContact CE1-CA 3.29Å; H16-D19 PolarHBondContact CE1-N 2.9Å; H16-D19 IonicContact CE1-OD1 2.64Å; H16-D19 PolarHBondContact CE1-OD1 3.17Å; H16-D19 IonicContact NE2-OD1 2.63Å; D19-K24 PolarHBondContact O-NZ 2.95Å
20M92.4Very high94.1Very high183 Ų18351.4 Ų51.490%0.90127%0.271SS*.THydrogen-bonded Turntrans-86.3-10.4-179.6-59-54-64.800113.7G18G18-M20 VanDerWaalsContact C-N 3.31Å; G18-M20 PolarHBondContact O-N 3.26Å
21H95.9Very high94.5Very high15 Ų1544.2 Ų44.27%0.06924%0.237CC..  trans-70134.2-177.4-166-82.8000110.9Y17 G18 M23 K24 D92 F143Y17-H21 VanDerWaalsContact CB-CG 3.45Å; Y17-H21 WeakPolarHBondContact CB-ND1 3.25Å; Y17-H21 AromaticContact CD1-CE1 3.33Å; Y17-H21 WeakPolarHBondContact CD1-CE1 3.47Å; Y17-H21 AromaticContact CD1-ND1 3.51Å; Y17-H21 AromaticContact CD1-NE2 3.74Å; Y17-H21 AromaticContact CE1-CE1 3.99Å; Y17-H21 AromaticContact CG-ND1 3.72Å; G18-H21 WeakPolarHBondContact O-CB 3.44Å; G18-H21 PolarHBondContact O-N 2.75Å; G18-H21 VanDerWaalsContact O-N 3.1Å; H21-M23 VanDerWaalsContact CE1-CB 3.45Å; H21-M23 WeakPolarHBondContact CE1-CB 3.43Å; H21-M23 WeakPolarHBondContact ND1-CB 3.38Å; H21-M23 PolarHBondContact ND1-N 3Å; H21-K24 WeakPolarHBondContact O-CE 3.45Å; H21-K24 PolarHBondContact O-NZ 3.36Å; H21-D92 PolarHBondContact NE2-O 2.84Å; H21-F143 AromaticContact CE1-CD1 3.44Å; H21-F143 VanDerWaalsContact CE1-CD1 3.44Å; H21-F143 WeakPolarHBondContact CE1-CD1 3.45Å; H21-F143 AromaticContact CE1-CE1 3.74Å; H21-F143 AromaticContact CE1-CG 3.62Å; H21-F143 AromaticContact NE2-CD1 3.35Å; H21-F143 WeakPolarHBondContact NE2-CD1 3.41Å; H21-F143 AromaticContact NE2-CE1 3.5Å; H21-F143 WeakPolarHBondContact NE2-CE1 3.45Å
22P95.7Very high94.9Very high26 Ų2645.2 Ų45.217%0.16924%0.236CC..SBendtrans-68.3-35-175.525.7-35.2000113.4K24 F143 L265 Y297P22-K24 PolarHBondContact O-N 3.15Å; P22-F143 HydrophobicContact CG-CE1 4.25Å; P22-F143 HydrophobicContact CG-CE2 3.62Å; P22-F143 HydrophobicContact CG-CZ 3.4Å; P22-F143 VanDerWaalsContact CG-CZ 3.4Å; P22-L265 HydrophobicContact CB-CD1 4.07Å; P22-L265 HydrophobicContact CG-CD1 3.94Å; P22-Y297 HydrophobicContact CB-CD1 3.9Å; P22-Y297 HydrophobicContact CB-CG 4.15Å; P22-Y297 HydrophobicContact CG-CD1 4.48Å
23M96.5Very high95.1Very high5 Ų545.7 Ų45.73%0.02524%0.24CC..  trans-67.3118.7175.9-176.157.77900111.1Y17 H21 R27 F143 Y297Y17-M23 HydrophobicContact CD1-CB 4.18Å; Y17-M23 HydrophobicContact CD1-CG 4.48Å; Y17-M23 HydrophobicContact CD2-CB 4.45Å; Y17-M23 HydrophobicContact CD2-CG 4.17Å; Y17-M23 HydrophobicContact CE1-CB 4.24Å; Y17-M23 HydrophobicContact CE1-CG 4.18Å; Y17-M23 HydrophobicContact CE2-CG 3.88Å; Y17-M23 HydrophobicContact CG-CB 4.27Å; Y17-M23 HydrophobicContact CG-CG 4.46Å; H21-M23 VanDerWaalsContact CE1-CB 3.45Å; H21-M23 WeakPolarHBondContact CE1-CB 3.43Å; H21-M23 WeakPolarHBondContact ND1-CB 3.38Å; H21-M23 PolarHBondContact ND1-N 3Å; M23-R27 PolarHBondContact SD-NE 3.24Å; M23-R27 PolarHBondContact SD-NH2 2.77Å; M23-F143 HydrophobicContact CB-CB 4.47Å; M23-F143 HydrophobicContact CB-CD2 4.31Å; M23-F143 HydrophobicContact CE-CB 4.33Å; M23-F143 HydrophobicContact CE-CD2 4.33Å; M23-Y297 HydrophobicContact CE-CE1 3.88Å
24K96Very high95.6Very high46 Ų4640.9 Ų40.920%0.222%0.217CC..  trans-121.799.1178.6-60.6-55.8-176.5-168.40110.9H16 G18 D19 H21 P22 R26 R27H16-K24 PolarHBondContact NE2-NZ 2.92Å; G18-K24 PolarHBondContact O-NZ 3.21Å; D19-K24 PolarHBondContact O-NZ 2.95Å; H21-K24 WeakPolarHBondContact O-CE 3.45Å; H21-K24 PolarHBondContact O-NZ 3.36Å; P22-K24 PolarHBondContact O-N 3.15Å; K24-R26 PolarHBondContact O-N 3.34Å; K24-R27 WeakPolarHBondContact O-CB 3.32Å; K24-R27 WeakPolarHBondContact O-CD 3.24Å; K24-R27 WeakPolarHBondContact O-CG 3.25Å; K24-R27 PolarHBondContact O-N 2.93Å
25P95.9Very high95.8Very high3 Ų337 Ų372%0.01919%0.185CC..THydrogen-bonded Turntrans-53-27.2178-31.438.7000114.8M12 F15 Y17 R27 I28 F102M12-P25 WeakPolarHBondContact O-CB 3.41Å; F15-P25 HydrophobicContact CB-CB 4.39Å; F15-P25 HydrophobicContact CB-CG 4.23Å; F15-P25 WeakPolarHBondContact O-CG 3.42Å; Y17-P25 HydrophobicContact CD2-CG 4.15Å; Y17-P25 HydrophobicContact CE2-CG 4.17Å; P25-R27 PolarHBondContact O-N 2.99Å; P25-I28 WeakPolarHBondContact O-CB 3.48Å; P25-I28 WeakPolarHBondContact O-CG1 3.22Å; P25-I28 PolarHBondContact O-N 2.99Å; P25-F102 HydrophobicContact CB-CE2 4.14Å; P25-F102 HydrophobicContact CG-CE2 4.18Å; P25-F102 HydrophobicContact CG-CZ 4.26Å
26R95.6Very high96Very high131 Ų13141.5 Ų41.549%0.49421%0.206SC..Hα-helixtrans-48.4-28171.1-174.9175.4178.5177.91.7114.2K24 I28 V29 M30 F328K24-R26 PolarHBondContact O-N 3.34Å; R26-I28 PolarHBondContact O-N 3.43Å; R26-V29 PolarHBondContact O-N 3.04Å; R26-V29 VanDerWaalsContact O-N 3.13Å; R26-M30 HydrophobicContact CG-CG 4.28Å; R26-M30 HydrophobicContact CG-SD 4.37Å; R26-M30 WeakPolarHBondContact O-CG 3.13Å; R26-M30 PolarHBondContact O-N 3.2Å; R26-F328 VanDerWaalsContact NH2-CD1 3.32Å; R26-F328 VanDerWaalsContact NH2-CE1 3.33Å
27R96.9Very high96.2Very high7 Ų739.1 Ų39.13%0.02620%0.196CC..Hα-helixtrans-56.6-30.1175.672.4-163.2175.9130.911.9113.3M23 K24 P25 M30 T31 G294 G295 G296 A299 V302 W306M23-R27 PolarHBondContact SD-NE 3.24Å; M23-R27 PolarHBondContact SD-NH2 2.77Å; K24-R27 WeakPolarHBondContact O-CB 3.32Å; K24-R27 WeakPolarHBondContact O-CD 3.24Å; K24-R27 WeakPolarHBondContact O-CG 3.25Å; K24-R27 PolarHBondContact O-N 2.93Å; P25-R27 PolarHBondContact O-N 2.99Å; R27-M30 PolarHBondContact O-N 3.45Å; R27-T31 PolarHBondContact O-N 3.22Å; R27-T31 PolarHBondContact O-OG1 3.38Å; R27-G294 VanDerWaalsContact CZ-O 3.28Å; R27-G294 PolarHBondContact NH1-O 3.12Å; R27-G294 PolarHBondContact NH2-O 3.37Å; R27-G295 PolarHBondContact NH1-O 3.02Å; R27-G296 PolarHBondContact NH1-O 3.05Å; R27-A299 HydrophobicContact CB-CB 3.86Å; R27-V302 HydrophobicContact CB-CB 4.3Å; R27-V302 HydrophobicContact CB-CG1 4.26Å; R27-V302 HydrophobicContact CG-CG1 4.17Å; R27-W306 HydrophobicContact CG-CZ3 4.34Å
28I97.4Very high96.5Very high3 Ų339.6 Ų39.62%0.01520%0.198CC..Hα-helixtrans-67.1-45177.6-58.9161.8000110.2Y8 M12 P25 R26 T31 H32 W306Y8-I28 HydrophobicContact CD2-CG2 4.36Å; Y8-I28 HydrophobicContact CE2-CG2 4.05Å; M12-I28 HydrophobicContact CB-CB 4.34Å; M12-I28 HydrophobicContact CB-CD1 4.09Å; M12-I28 HydrophobicContact CB-CG2 4.34Å; M12-I28 HydrophobicContact CG-CD1 4.15Å; M12-I28 HydrophobicContact CG-CG2 4.32Å; M12-I28 HydrophobicContact SD-CD1 4.29Å; P25-I28 WeakPolarHBondContact O-CB 3.48Å; P25-I28 WeakPolarHBondContact O-CG1 3.22Å; P25-I28 PolarHBondContact O-N 2.99Å; R26-I28 PolarHBondContact O-N 3.43Å; I28-T31 WeakPolarHBondContact O-CB 3.28Å; I28-T31 PolarHBondContact O-N 3.3Å; I28-H32 PolarHBondContact O-N 3.04Å; I28-W306 HydrophobicContact CG1-CZ3 4.48Å
29V97.1Very high96.7Very high18 Ų1841.4 Ų41.411%0.10920%0.201CC..Hα-helixtrans-71.8-35.3178.5-174.70000111.6M12 E13 R26 T31 H32 A33 F328M12-V29 HydrophobicContact CB-CG2 4.44Å; E13-V29 HydrophobicContact CB-CB 4.41Å; E13-V29 HydrophobicContact CB-CG2 3.7Å; E13-V29 HydrophobicContact CG-CG2 4.27Å; E13-V29 VanDerWaalsContact OE2-CG2 3.26Å; E13-V29 WeakPolarHBondContact OE2-CG2 3.26Å; R26-V29 PolarHBondContact O-N 3.04Å; R26-V29 VanDerWaalsContact O-N 3.13Å; V29-T31 VanDerWaalsContact C-N 3.28Å; V29-T31 PolarHBondContact O-N 3.16Å; V29-H32 PolarHBondContact O-N 2.73Å; V29-A33 WeakPolarHBondContact O-CB 3.01Å; V29-A33 PolarHBondContact O-N 3.45Å; V29-F328 HydrophobicContact CG1-CE2 4.16Å; V29-F328 HydrophobicContact CG1-CZ 4.04Å
30M98.1Very high97.1Very high6 Ų634.7 Ų34.73%0.0317%0.166CC..Hα-helixtrans-60.1-41.2171.2-67.7177.967.500111.8R26 R27 L34 A299 R300 A303 F328 Y332R26-M30 HydrophobicContact CG-CG 4.28Å; R26-M30 HydrophobicContact CG-SD 4.37Å; R26-M30 WeakPolarHBondContact O-CG 3.13Å; R26-M30 PolarHBondContact O-N 3.2Å; R27-M30 PolarHBondContact O-N 3.45Å; M30-L34 PolarHBondContact O-N 2.94Å; M30-L34 VanDerWaalsContact O-N 3.16Å; M30-A299 HydrophobicContact SD-CB 4.09Å; M30-R300 HydrophobicContact CE-CB 4.05Å; M30-A303 HydrophobicContact CB-CB 3.64Å; M30-F328 HydrophobicContact CB-CD2 4.05Å; M30-F328 HydrophobicContact CB-CE2 4.25Å; M30-F328 HydrophobicContact CE-CB 4.36Å; M30-F328 HydrophobicContact CG-CB 4.47Å; M30-F328 HydrophobicContact CG-CD1 4.29Å; M30-F328 HydrophobicContact CG-CD2 3.62Å; M30-F328 HydrophobicContact CG-CE1 4.45Å; M30-F328 HydrophobicContact CG-CE2 3.79Å; M30-F328 HydrophobicContact CG-CG 3.86Å; M30-F328 HydrophobicContact CG-CZ 4.21Å; M30-Y332 HydrophobicContact CE-CE1 4.23Å
31T98.5Very high97.4Very high0 Ų027.2 Ų27.20%013%0.129CC..Hα-helixtrans-61.9-53.3174.2-540000110.4R27 I28 V29 A33 L34 L35 W128 A303 W306R27-T31 PolarHBondContact O-N 3.22Å; R27-T31 PolarHBondContact O-OG1 3.38Å; I28-T31 WeakPolarHBondContact O-CB 3.28Å; I28-T31 PolarHBondContact O-N 3.3Å; V29-T31 VanDerWaalsContact C-N 3.28Å; V29-T31 PolarHBondContact O-N 3.16Å; T31-A33 VanDerWaalsContact C-N 3.28Å; T31-A33 PolarHBondContact O-N 2.69Å; T31-L34 WeakPolarHBondContact O-CB 3.07Å; T31-L34 PolarHBondContact O-N 3.43Å; T31-L35 HydrophobicContact CG2-CD1 4.5Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 WeakPolarHBondContact O-CG 3.29Å; T31-L35 PolarHBondContact O-N 2.96Å; T31-W128 HydrophobicContact CG2-CG 4.2Å; T31-A303 WeakPolarHBondContact OG1-CA 3.32Å; T31-W306 HydrophobicContact CG2-CB 3.55Å; T31-W306 HydrophobicContact CG2-CE3 4.21Å
32H98.1Very high97.4Very high45 Ų4536.3 Ų36.321%0.20816%0.163CC..Hα-helixtrans-55.2-42.6179.4-171.284.7000112.6Y6 Y8 I28 V29 L34 L35 H36Y6-H32 AromaticContact CE1-CE1 3.86Å; Y6-H32 AromaticContact CE1-ND1 3.41Å; Y6-H32 WeakPolarHBondContact CE1-ND1 3.31Å; Y6-H32 AromaticContact CZ-ND1 3.77Å; Y6-H32 PolarHBondContact OH-ND1 3.24Å; Y8-H32 AromaticContact CD1-CE1 3.53Å; Y8-H32 AromaticContact CD1-ND1 3.54Å; Y8-H32 HydrophobicContact CD2-CB 4.33Å; Y8-H32 AromaticContact CD2-ND1 3.78Å; Y8-H32 AromaticContact CE1-CE1 3.85Å; Y8-H32 AromaticContact CE1-CG 3.95Å; Y8-H32 AromaticContact CE1-ND1 3.79Å; Y8-H32 HydrophobicContact CE2-CB 3.94Å; Y8-H32 AromaticContact CG-CE1 3.93Å; Y8-H32 AromaticContact CG-ND1 3.53Å; Y8-H32 AromaticContact CZ-CG 3.89Å; I28-H32 PolarHBondContact O-N 3.04Å; V29-H32 PolarHBondContact O-N 2.73Å; H32-L34 PolarHBondContact O-N 3.32Å; H32-L35 PolarHBondContact O-N 3.49Å; H32-H36 PolarHBondContact O-N 3.32Å
33A98.1Very high97.5Very high11 Ų1136.7 Ų36.79%0.09117%0.168CC..Hα-helixtrans-62.3-40176.300000112.5V29 T31 H36 D37 N326 I327 F328V29-A33 WeakPolarHBondContact O-CB 3.01Å; V29-A33 PolarHBondContact O-N 3.45Å; T31-A33 VanDerWaalsContact C-N 3.28Å; T31-A33 PolarHBondContact O-N 2.69Å; A33-H36 PolarHBondContact O-N 3.28Å; A33-D37 VanDerWaalsContact O-CG 3.22Å; A33-D37 PolarHBondContact O-N 2.63Å; A33-N326 PolarHBondContact O-ND2 2.79Å; A33-I327 HydrophobicContact CB-CD1 4.28Å; A33-I327 HydrophobicContact CB-CG1 4.13Å; A33-F328 HydrophobicContact CB-CD2 3.97Å; A33-F328 HydrophobicContact CB-CE2 3.9Å
34L98.7Very high97.5Very high0 Ų037.2 Ų37.20%017%0.171CC..Hα-helixtrans-65.5-42.6173.4-71178.6000111.8M30 T31 H32 H36 D37 Y38 A303 A307 I322 Y332M30-L34 PolarHBondContact O-N 2.94Å; M30-L34 VanDerWaalsContact O-N 3.16Å; T31-L34 WeakPolarHBondContact O-CB 3.07Å; T31-L34 PolarHBondContact O-N 3.43Å; H32-L34 PolarHBondContact O-N 3.32Å; L34-H36 VanDerWaalsContact C-N 3.27Å; L34-H36 PolarHBondContact O-N 3.42Å; L34-D37 PolarHBondContact O-N 3.47Å; L34-Y38 HydrophobicContact CB-CD2 4.24Å; L34-Y38 HydrophobicContact CB-CE2 4.41Å; L34-Y38 HydrophobicContact CD2-CE2 4.13Å; L34-Y38 WeakPolarHBondContact O-CB 3.48Å; L34-Y38 VanDerWaalsContact O-CD2 3.24Å; L34-Y38 WeakPolarHBondContact O-CD2 3.4Å; L34-Y38 PolarHBondContact O-N 3.12Å; L34-A303 HydrophobicContact CD1-CB 3.91Å; L34-A303 WeakPolarHBondContact CD1-O 3.21Å; L34-A307 HydrophobicContact CB-CB 3.8Å; L34-A307 HydrophobicContact CD1-CB 3.97Å; L34-I322 HydrophobicContact CD1-CD1 4.46Å; L34-I322 HydrophobicContact CD2-CD1 3.89Å; L34-I322 HydrophobicContact CD2-CG2 3.71Å; L34-Y332 HydrophobicContact CD1-CE1 4.33Å; L34-Y332 WeakPolarHBondContact CD1-OH 3.23Å; L34-Y332 HydrophobicContact CD2-CE2 4.31Å
35L98.6Very high97.6Very high0 Ų039 Ų390%018%0.183CC..Hα-helixtrans-59.8-40177.2-60.2-172.8000111.8Y6 T31 H32 D39 L40 L41 M44 A307 T310Y6-L35 HydrophobicContact CE1-CD1 4.01Å; Y6-L35 HydrophobicContact CE2-CD1 4.08Å; T31-L35 HydrophobicContact CG2-CD1 4.5Å; T31-L35 HydrophobicContact CG2-CG 4.41Å; T31-L35 WeakPolarHBondContact O-CG 3.29Å; T31-L35 PolarHBondContact O-N 2.96Å; H32-L35 PolarHBondContact O-N 3.49Å; L35-D39 PolarHBondContact O-N 2.83Å; L35-L40 HydrophobicContact CB-CB 4.45Å; L35-L40 HydrophobicContact CD2-CB 4.44Å; L35-L40 HydrophobicContact CD2-CD1 3.76Å; L35-L40 WeakPolarHBondContact O-CB 3.29Å; L35-L40 PolarHBondContact O-N 2.66Å; L35-L41 HydrophobicContact CB-CD2 3.65Å; L35-L41 HydrophobicContact CB-CG 3.97Å; L35-L41 HydrophobicContact CD1-CD2 4.13Å; L35-L41 PolarHBondContact O-N 2.76Å; L35-M44 HydrophobicContact CD1-CE 4.5Å; L35-A307 HydrophobicContact CD2-CB 4.13Å; L35-T310 HydrophobicContact CD1-CG2 4.33Å; L35-T310 HydrophobicContact CD2-CG2 3.7Å; L35-T310 WeakPolarHBondContact CD2-OG1 3.46Å
36H98Very high97.7Very high114 Ų11442.1 Ų42.153%0.52820%0.203SC..Hα-helixtrans-62.4-52.2173.9174.6-87.4000111.3H32 A33 L34 Y38 D39 L41H32-H36 PolarHBondContact O-N 3.32Å; A33-H36 PolarHBondContact O-N 3.28Å; L34-H36 VanDerWaalsContact C-N 3.27Å; L34-H36 PolarHBondContact O-N 3.42Å; H36-Y38 PolarHBondContact O-N 3.1Å; H36-D39 WeakPolarHBondContact O-CA 3.24Å; H36-D39 PolarHBondContact O-N 2.93Å; H36-L41 HydrophobicContact CB-CD1 3.75Å
37D98.3Very high97.6Very high31 Ų3139.9 Ų39.917%0.16620%0.196CC..Hα-helixtrans-75.1-23.7-171.4-63-25.4000114A33 L34 P323 N326A33-D37 VanDerWaalsContact O-CG 3.22Å; A33-D37 PolarHBondContact O-N 2.63Å; L34-D37 PolarHBondContact O-N 3.47Å; D37-P323 HydrophobicContact CB-CB 3.85Å; D37-P323 HydrophobicContact CB-CG 3.78Å; D37-N326 WeakPolarHBondContact OD2-CA 3.39Å; D37-N326 VanDerWaalsContact OD2-CB 3.23Å; D37-N326 WeakPolarHBondContact OD2-CB 3.38Å; D37-N326 PolarHBondContact OD2-ND2 3.38Å
38Y98.4Very high97.3Very high20 Ų2044.3 Ų44.38%0.07823%0.233CC..THydrogen-bonded Turntrans-83.25.2167.7-75.6-62.2000113.4L34 H36 L40 L318 P319 R321 I322 P323 L338L34-Y38 HydrophobicContact CB-CD2 4.24Å; L34-Y38 HydrophobicContact CB-CE2 4.41Å; L34-Y38 HydrophobicContact CD2-CE2 4.13Å; L34-Y38 WeakPolarHBondContact O-CB 3.48Å; L34-Y38 VanDerWaalsContact O-CD2 3.24Å; L34-Y38 WeakPolarHBondContact O-CD2 3.4Å; L34-Y38 PolarHBondContact O-N 3.12Å; H36-Y38 PolarHBondContact O-N 3.1Å; Y38-L40 PolarHBondContact O-N 3.15Å; Y38-L318 HydrophobicContact CD1-CB 4.4Å; Y38-L318 HydrophobicContact CD1-CD1 4.28Å; Y38-L318 HydrophobicContact CD1-CD2 3.79Å; Y38-L318 HydrophobicContact CD1-CG 4.38Å; Y38-L318 HydrophobicContact CD2-CD1 3.95Å; Y38-L318 HydrophobicContact CE1-CB 4.3Å; Y38-L318 HydrophobicContact CE1-CD1 4.48Å; Y38-L318 HydrophobicContact CE2-CD1 4.17Å; Y38-L318 HydrophobicContact CG-CD1 4.01Å; Y38-L318 HydrophobicContact CG-CD2 3.86Å; Y38-L318 HydrophobicContact CG-CG 4.47Å; Y38-P319 HydrophobicContact CD1-CG 4.43Å; Y38-P319 HydrophobicContact CE1-CG 4Å; Y38-R321 PolarHBondContact OH-O 2.89Å; Y38-R321 VanDerWaalsContact OH-O 3.04Å; Y38-I322 HydrophobicContact CE2-CD1 4.44Å; Y38-I322 WeakPolarHBondContact OH-CA 3.38Å; Y38-P323 HydrophobicContact CD1-CG 4.05Å; Y38-P323 HydrophobicContact CE1-CG 4Å; Y38-P323 HydrophobicContact CG-CG 4.39Å; Y38-L338 HydrophobicContact CE2-CD1 4.01Å; Y38-L338 HydrophobicContact CE2-CD2 4.39Å
39D97.6Very high97Very high65 Ų6544.8 Ų44.835%0.34824%0.237SC..THydrogen-bonded Turntrans57.232.3-179.5-159.544.6000113.6L35 H36 R42 R316L35-D39 PolarHBondContact O-N 2.83Å; H36-D39 WeakPolarHBondContact O-CA 3.24Å; H36-D39 PolarHBondContact O-N 2.93Å; D39-R42 WeakPolarHBondContact OD1-CD 3.38Å; D39-R42 WeakPolarHBondContact OD1-CG 3.31Å; D39-R42 IonicContact OD1-CZ 3.79Å; D39-R42 VanDerWaalsContact OD1-CZ 3.25Å; D39-R42 IonicContact OD1-NE 3.75Å; D39-R42 PolarHBondContact OD1-NE 2.7Å; D39-R42 IonicContact OD1-NH1 3.61Å; D39-R42 PolarHBondContact OD1-NH1 3.01Å; D39-R42 IonicContact OD2-NH1 2.79Å; D39-R316 PolarHBondContact O-NH1 3.34Å
40L98.4Very high96.8Very high0 Ų047.8 Ų47.80%026%0.264CS..  trans-82.8-32.1178.5-62.6-177.3000112.2L35 Y38 R42 A43 T310 A311 L314 R316 L318L35-L40 HydrophobicContact CB-CB 4.45Å; L35-L40 HydrophobicContact CD2-CB 4.44Å; L35-L40 HydrophobicContact CD2-CD1 3.76Å; L35-L40 WeakPolarHBondContact O-CB 3.29Å; L35-L40 PolarHBondContact O-N 2.66Å; Y38-L40 PolarHBondContact O-N 3.15Å; L40-R42 PolarHBondContact O-N 3.08Å; L40-A43 WeakPolarHBondContact O-CB 3.46Å; L40-A43 PolarHBondContact O-N 2.96Å; L40-T310 HydrophobicContact CB-CG2 4.42Å; L40-T310 HydrophobicContact CD1-CG2 4.11Å; L40-A311 HydrophobicContact CD1-CB 4.11Å; L40-A311 HydrophobicContact CD2-CB 4.37Å; L40-L314 HydrophobicContact CB-CD1 3.97Å; L40-L314 HydrophobicContact CD2-CD1 3.92Å; L40-L314 HydrophobicContact CG-CD1 4.41Å; L40-R316 HydrophobicContact CD2-CB 4.41Å; L40-L318 HydrophobicContact CD1-CD1 4.23Å; L40-L318 HydrophobicContact CD1-CD2 4.35Å; L40-L318 HydrophobicContact CD2-CD2 4.01Å; L40-L318 HydrophobicContact CG-CD2 4.38Å
41L97.8Very high96.8Very high26 Ų2650.9 Ų50.914%0.13628%0.281CS..G310 helixtrans-58.5-33.8179.7-63.1-177.7000112.5Y6 L35 H36 A43 M44 C46Y6-L41 HydrophobicContact CD1-CD2 3.63Å; Y6-L41 HydrophobicContact CE1-CD2 3.59Å; L35-L41 HydrophobicContact CB-CD2 3.65Å; L35-L41 HydrophobicContact CB-CG 3.97Å; L35-L41 HydrophobicContact CD1-CD2 4.13Å; L35-L41 PolarHBondContact O-N 2.76Å; H36-L41 HydrophobicContact CB-CD1 3.75Å; L41-A43 PolarHBondContact O-N 2.71Å; L41-M44 HydrophobicContact CD2-CE 4.17Å; L41-M44 PolarHBondContact O-N 3.49Å; L41-M44 VanDerWaalsContact O-O 3.12Å; L41-C46 PolarHBondContact O-SG 3.29Å; L41-C46 VanDerWaalsContact O-SG 3.37Å
42R96.4Very high96.8Very high206 Ų20651.1 Ų51.178%0.77728%0.283SS*.G310 helixtrans-71.3-10.4178.5-63.1-167.5-174.3143-6114.2D39 L40D39-R42 WeakPolarHBondContact OD1-CD 3.38Å; D39-R42 WeakPolarHBondContact OD1-CG 3.31Å; D39-R42 IonicContact OD1-CZ 3.79Å; D39-R42 VanDerWaalsContact OD1-CZ 3.25Å; D39-R42 IonicContact OD1-NE 3.75Å; D39-R42 PolarHBondContact OD1-NE 2.7Å; D39-R42 IonicContact OD1-NH1 3.61Å; D39-R42 PolarHBondContact OD1-NH1 3.01Å; D39-R42 IonicContact OD2-NH1 2.79Å; L40-R42 PolarHBondContact O-N 3.08Å
43A96.9Very high96.8Very high34 Ų3451.4 Ų51.428%0.28129%0.289SS..G310 helixtrans-98.84.2179.600000112.8L40 L41 L314L40-A43 WeakPolarHBondContact O-CB 3.46Å; L40-A43 PolarHBondContact O-N 2.96Å; L41-A43 PolarHBondContact O-N 2.71Å; A43-L314 HydrophobicContact CB-CD1 4.06Å; A43-L314 HydrophobicContact CB-CD2 3.81Å; A43-L314 WeakPolarHBondContact O-CD2 3.31Å
44M97.9Very high96.8Very high15 Ų1552 Ų527%0.07429%0.292CS..SBendtrans-133.2152.8-177.4-63.2-178.2-66.900110.8I4 Y6 L35 L41 C46 I126 T310 L314I4-M44 HydrophobicContact CB-CG 4.06Å; I4-M44 HydrophobicContact CG2-CG 3.93Å; I4-M44 HydrophobicContact CG2-SD 3.84Å; I4-M44 VanDerWaalsContact O-CA 3.31Å; I4-M44 WeakPolarHBondContact O-CA 3.33Å; I4-M44 WeakPolarHBondContact O-CB 3.18Å; Y6-M44 HydrophobicContact CD1-CE 4.29Å; Y6-M44 HydrophobicContact CG-CE 4.1Å; L35-M44 HydrophobicContact CD1-CE 4.5Å; L41-M44 HydrophobicContact CD2-CE 4.17Å; L41-M44 PolarHBondContact O-N 3.49Å; L41-M44 VanDerWaalsContact O-O 3.12Å; M44-C46 PolarHBondContact O-N 3.32Å; M44-I126 HydrophobicContact SD-CD1 3.94Å; M44-T310 HydrophobicContact CE-CG2 3.69Å; M44-T310 HydrophobicContact SD-CG2 3.78Å; M44-L314 HydrophobicContact CE-CD1 4.43Å; M44-L314 HydrophobicContact CG-CD1 4.08Å; M44-L314 HydrophobicContact CG-CD2 3.65Å; M44-L314 HydrophobicContact CG-CG 4.29Å; M44-L314 HydrophobicContact SD-CD1 4.1Å; M44-L314 HydrophobicContact SD-CD2 4.4Å; M44-L314 HydrophobicContact SD-CG 4.47Å
45D97.5Very high96.7Very high85 Ų8558.2 Ų58.246%0.45533%0.325SS..EExtended strand (participates in β ladder)trans-77.5105166.5-66.7-47.3000109I4 S5 Y6 Y47I4-D45 PolarHBondContact O-N 3.04Å; S5-D45 CarbonylContact C-O 3.54Å; S5-D45 VanDerWaalsContact CA-O 3.25Å; S5-D45 WeakPolarHBondContact CA-O 3.23Å; Y6-D45 PolarHBondContact N-O 3.47Å; D45-Y47 HydrophobicContact CB-CE2 3.7Å; D45-Y47 VanDerWaalsContact O-CD2 3.29Å; D45-Y47 WeakPolarHBondContact O-CD2 3.46Å; D45-Y47 WeakPolarHBondContact O-CE2 3.31Å
46C97.4Very high96.7Very high67 Ų6762 Ų6245%0.45334%0.343SS..EExtended strand (participates in β ladder)trans-90.2123.1-175.7-650000111.1Y6 L41 M44Y6-C46 CarbonylContact O-C 3.52Å; Y6-C46 WeakPolarHBondContact O-CA 3.27Å; L41-C46 PolarHBondContact O-SG 3.29Å; L41-C46 VanDerWaalsContact O-SG 3.37Å; M44-C46 PolarHBondContact O-N 3.32Å
47Y94.7Very high96.8Very high85 Ų8556.6 Ų56.633%0.33332%0.318SS..EExtended strand (participates in β ladder)trans-115.2128-179.5-64.1-86.9000111.7Y6 H7 Y8 D45 S49Y6-Y47 PolarHBondContact O-N 3.29Å; H7-Y47 AromaticContact CE1-CD2 3.8Å; H7-Y47 AromaticContact NE2-CD2 3.86Å; Y8-Y47 PolarHBondContact N-O 3.19Å; Y8-Y47 VanDerWaalsContact N-O 3.12Å; D45-Y47 HydrophobicContact CB-CE2 3.7Å; D45-Y47 VanDerWaalsContact O-CD2 3.29Å; D45-Y47 WeakPolarHBondContact O-CD2 3.46Å; D45-Y47 WeakPolarHBondContact O-CE2 3.31Å; Y47-S49 PolarHBondContact O-N 3.34Å
48A90.4Very high96.7Very high99 Ų9957 Ų5782%0.81832%0.322SS*.EExtended strand (participates in β ladder)trans-74.7115.2158.500000108.2
49S89.8Confident96.7Very high14 Ų1458.8 Ų58.810%0.09834%0.338CS..PPolyproline II helixtrans-91.8138.2-176.2-60.60000111.2H7 Y47H7-S49 PolarHBondContact ND1-OG 3.41Å; Y47-S49 PolarHBondContact O-N 3.34Å
50A93.6Very high96.7Very high81 Ų8156 Ų5667%0.66932%0.323SS*.PPolyproline II helixtrans-67.5146172.400000110.6G108A50-G108 CarbonylContact O-C 3.58Å; A50-G108 VanDerWaalsContact O-CA 3.27Å; A50-G108 WeakPolarHBondContact O-CA 3.4Å
51D97.6Very high96.7Very high71 Ų7156.2 Ų56.238%0.3832%0.324SS..PPolyproline II helixtrans-60.2138.7172.5-67.59.1000110.2S53 A104 K105D51-S53 PolarHBondContact O-N 2.96Å; D51-A104 HydrophobicContact CB-CB 4Å; D51-K105 VanDerWaalsContact OD1-CG 3.22Å; D51-K105 WeakPolarHBondContact OD1-CG 3.25Å; D51-K105 IonicContact OD1-NZ 3.81Å
52A98Very high96.7Very high5 Ų556 Ų564%0.04133%0.325CS..PPolyproline II helixtrans-62134.5174.300000110.8Q56 M57 A104 A107A52-Q56 HydrophobicContact CB-CB 4.45Å; A52-M57 HydrophobicContact CB-CG 4.02Å; A52-A104 PolarHBondContact N-O 2.88Å; A52-A107 HydrophobicContact CB-CB 3.97Å
53S98.1Very high96.7Very high50 Ų5048.3 Ų48.335%0.3531%0.305SS..PPolyproline II helixtrans-71.7163.717279.60000111.3D51 D55 Q56 M57D51-S53 PolarHBondContact O-N 2.96Å; S53-D55 VanDerWaalsContact C-N 3.27Å; S53-D55 PolarHBondContact O-N 3.33Å; S53-D55 PolarHBondContact OG-N 3.47Å; S53-Q56 PolarHBondContact O-N 2.87Å; S53-Q56 WeakPolarHBondContact OG-CG 3.45Å; S53-Q56 PolarHBondContact OG-N 3.08Å; S53-Q56 VanDerWaalsContact OG-N 3.13Å; S53-M57 PolarHBondContact O-N 2.91Å
54V98.1Very high96.7Very high23 Ų2351.5 Ų51.514%0.13931%0.314CS..Hα-helixtrans-56-45.7172.1171.10000110.4Q56 M57 C58 I66 K70 F100V54-Q56 VanDerWaalsContact C-N 3.31Å; V54-Q56 PolarHBondContact O-N 2.9Å; V54-M57 PolarHBondContact O-N 3.23Å; V54-C58 WeakPolarHBondContact O-CB 3.29Å; V54-C58 PolarHBondContact O-N 3.21Å; V54-C58 PolarHBondContact O-SG 2.86Å; V54-I66 HydrophobicContact CB-CG2 4.41Å; V54-I66 HydrophobicContact CG1-CG2 3.92Å; V54-I66 HydrophobicContact CG2-CG2 4.35Å; V54-K70 HydrophobicContact CG2-CD 3.85Å; V54-F100 HydrophobicContact CG2-CE2 4.37Å; V54-F100 HydrophobicContact CG2-CZ 3.9Å
55D98.2Very high96.7Very high132 Ų13250.8 Ų50.871%0.70631%0.31SS*.Hα-helixtrans-62.7-38.1-179.3-61.8-22.1000112.1S53 C58 S59S53-D55 VanDerWaalsContact C-N 3.27Å; S53-D55 PolarHBondContact O-N 3.33Å; S53-D55 PolarHBondContact OG-N 3.47Å; D55-C58 PolarHBondContact O-N 2.95Å; D55-S59 PolarHBondContact O-N 2.9Å
56Q98.2Very high96.7Very high80 Ų8046.8 Ų46.837%0.37429%0.289SS..Hα-helixtrans-65.6-43.8175.8-74.9169.9-32.800111.6A52 S53 V54 C58 S59 L111A52-Q56 HydrophobicContact CB-CB 4.45Å; S53-Q56 PolarHBondContact O-N 2.87Å; S53-Q56 WeakPolarHBondContact OG-CG 3.45Å; S53-Q56 PolarHBondContact OG-N 3.08Å; S53-Q56 VanDerWaalsContact OG-N 3.13Å; V54-Q56 VanDerWaalsContact C-N 3.31Å; V54-Q56 PolarHBondContact O-N 2.9Å; Q56-C58 VanDerWaalsContact C-N 3.33Å; Q56-C58 PolarHBondContact O-N 3.42Å; Q56-S59 VanDerWaalsContact O-CB 3.26Å; Q56-S59 WeakPolarHBondContact O-CB 3.48Å; Q56-S59 PolarHBondContact O-N 3.4Å; Q56-S59 PolarHBondContact O-OG 3.24Å; Q56-L111 HydrophobicContact CB-CD2 3.89Å; Q56-L111 HydrophobicContact CG-CD2 3.68Å; Q56-L111 VanDerWaalsContact NE2-CD2 3.26Å
57M98.5Very high96.7Very high0 Ų048 Ų480%029%0.288CS..Hα-helixtrans-66.1-36175.1-71.1-176.1-83.900112.3A52 S53 V54 S59 F60 H61 I66 F100 A104 V146 I151A52-M57 HydrophobicContact CB-CG 4.02Å; S53-M57 PolarHBondContact O-N 2.91Å; V54-M57 PolarHBondContact O-N 3.23Å; M57-S59 PolarHBondContact O-N 3.24Å; M57-F60 PolarHBondContact O-N 3Å; M57-H61 PolarHBondContact O-N 3.25Å; M57-I66 HydrophobicContact CB-CD1 3.84Å; M57-I66 HydrophobicContact CB-CG1 4.05Å; M57-I66 HydrophobicContact CB-CG2 4.26Å; M57-I66 HydrophobicContact CE-CG2 4.32Å; M57-I66 HydrophobicContact SD-CD1 4.43Å; M57-F100 HydrophobicContact CE-CD2 4.4Å; M57-F100 HydrophobicContact CE-CE1 4.4Å; M57-F100 HydrophobicContact CE-CE2 3.44Å; M57-F100 VanDerWaalsContact CE-CE2 3.44Å; M57-F100 HydrophobicContact CE-CZ 3.43Å; M57-F100 VanDerWaalsContact CE-CZ 3.43Å; M57-F100 HydrophobicContact SD-CE2 4.44Å; M57-A104 HydrophobicContact CE-CB 4.19Å; M57-V146 HydrophobicContact CG-CG1 4.22Å; M57-V146 HydrophobicContact SD-CG1 4.35Å; M57-V146 HydrophobicContact SD-CG2 3.99Å; M57-I151 HydrophobicContact CB-CD1 4.49Å; M57-I151 HydrophobicContact CG-CD1 4.36Å
58C98.1Very high96.7Very high38 Ų3843.9 Ų43.926%0.25727%0.272SS..THydrogen-bonded Turntrans-71.1-5.4175.7-69.50000114.1V54 D55 Q56 F60 H61V54-C58 WeakPolarHBondContact O-CB 3.29Å; V54-C58 PolarHBondContact O-N 3.21Å; V54-C58 PolarHBondContact O-SG 2.86Å; D55-C58 PolarHBondContact O-N 2.95Å; Q56-C58 VanDerWaalsContact C-N 3.33Å; Q56-C58 PolarHBondContact O-N 3.42Å; C58-F60 PolarHBondContact O-N 2.93Å; C58-H61 WeakPolarHBondContact CA-O 3.46Å
59S96.8Very high97Very high59 Ų5939.2 Ų39.241%0.41323%0.233SC..THydrogen-bonded Turntrans-61.4-26.5170.467.90000112.4D55 Q56 M57D55-S59 PolarHBondContact O-N 2.9Å; Q56-S59 VanDerWaalsContact O-CB 3.26Å; Q56-S59 WeakPolarHBondContact O-CB 3.48Å; Q56-S59 PolarHBondContact O-N 3.4Å; Q56-S59 PolarHBondContact O-OG 3.24Å; M57-S59 PolarHBondContact O-N 3.24Å
60F98.2Very high97.3Very high7 Ų743.2 Ų43.23%0.03125%0.248CC..THydrogen-bonded Turntrans-116.4-53.9171.8170.3-124.5000112.1M57 C58 K137 N147 V150 I151 L154 A179 L384M57-F60 PolarHBondContact O-N 3Å; C58-F60 PolarHBondContact O-N 2.93Å; F60-K137 HydrophobicContact CE2-CB 4.14Å; F60-K137 HydrophobicContact CZ-CB 4.1Å; F60-K137 WeakPolarHBondContact O-CE 3.1Å; F60-K137 WeakPolarHBondContact O-CG 3.43Å; F60-N147 HydrophobicContact CD1-CB 3.96Å; F60-N147 HydrophobicContact CE1-CB 3.64Å; F60-V150 HydrophobicContact CB-CG1 3.87Å; F60-V150 HydrophobicContact CD1-CB 4.07Å; F60-V150 HydrophobicContact CD1-CG1 3.93Å; F60-V150 HydrophobicContact CD2-CB 4.44Å; F60-V150 HydrophobicContact CD2-CG1 3.48Å; F60-V150 VanDerWaalsContact CD2-CG1 3.48Å; F60-V150 HydrophobicContact CE1-CB 4.35Å; F60-V150 HydrophobicContact CE1-CG1 4.35Å; F60-V150 HydrophobicContact CE1-CG2 4.42Å; F60-V150 HydrophobicContact CE2-CG1 3.94Å; F60-V150 HydrophobicContact CG-CB 4.12Å; F60-V150 HydrophobicContact CG-CG1 3.47Å; F60-V150 VanDerWaalsContact CG-CG1 3.47Å; F60-V150 HydrophobicContact CZ-CG1 4.35Å; F60-V150 HydrophobicContact CZ-CG2 4.45Å; F60-I151 HydrophobicContact CB-CG1 4.15Å; F60-L154 HydrophobicContact CB-CD1 4.21Å; F60-A179 HydrophobicContact CD2-CB 4.35Å; F60-A179 HydrophobicContact CE2-CB 3.54Å; F60-A179 HydrophobicContact CZ-CB 3.85Å; F60-L384 HydrophobicContact CD2-CD1 4.27Å
61H98.3Very high97.2Very high4 Ų442.3 Ų42.32%0.01923%0.228CC..SBendtrans-74.5154-172.6-70.1-79.4000112.4M57 C58 Y65 I66 K136 K137 V146 N147M57-H61 PolarHBondContact O-N 3.25Å; C58-H61 WeakPolarHBondContact CA-O 3.46Å; H61-Y65 HydrophobicContact CB-CD1 4.3Å; H61-Y65 AromaticContact ND1-CD1 3.77Å; H61-Y65 AromaticContact ND1-CE1 3.83Å; H61-I66 HydrophobicContact CB-CD1 3.59Å; H61-I66 HydrophobicContact CB-CG1 3.6Å; H61-K136 PolarHBondContact CE1-O 3.4Å; H61-K136 PolarHBondContact ND1-O 3.32Å; H61-K137 CarbonylContact C-O 3.53Å; H61-K137 WeakPolarHBondContact CA-O 3.33Å; H61-K137 PolarHBondContact ND1-O 2.86Å; H61-V146 WeakPolarHBondContact NE2-CA 3.41Å; H61-N147 PolarHBondContact NE2-N 2.94Å
62S97.8Very high96.9Very high22 Ų2239.8 Ų39.815%0.15422%0.215CC..  trans-69.7144172.184.40000111.3E64 Y65 I66 K137 S138S62-E64 VanDerWaalsContact CB-OE2 3.24Å; S62-E64 WeakPolarHBondContact CB-OE2 3.49Å; S62-E64 PolarHBondContact O-N 2.97Å; S62-E64 PolarHBondContact OG-OE2 3.03Å; S62-Y65 PolarHBondContact O-N 3.43Å; S62-Y65 VanDerWaalsContact O-N 3.12Å; S62-I66 PolarHBondContact O-N 3.46Å; S62-K137 PolarHBondContact N-O 3Å; S62-S138 VanDerWaalsContact CB-OG 3.23Å; S62-S138 WeakPolarHBondContact CB-OG 3.46Å; S62-S138 PolarHBondContact OG-OG 3.22Å
63A97.6Very high96.1Very high43 Ų4342.9 Ų42.936%0.35524%0.237SC..Hα-helixtrans-58.5-38.6-178.700000111.7Y65 I66 H67A63-Y65 VanDerWaalsContact C-N 3.28Å; A63-Y65 PolarHBondContact O-N 3.14Å; A63-I66 PolarHBondContact O-N 2.95Å; A63-H67 VanDerWaalsContact O-CB 3.29Å; A63-H67 WeakPolarHBondContact O-CB 3.46Å; A63-H67 PolarHBondContact O-CD2 2.94Å; A63-H67 PolarHBondContact O-N 2.64Å
64E96.4Very high95.3Very high102 Ų10245.6 Ų45.648%0.47725%0.251SS..Hα-helixtrans-60.2-39.7179.1-54.777.6-171.100111.8S62 F68 F87S62-E64 VanDerWaalsContact CB-OE2 3.24Å; S62-E64 WeakPolarHBondContact CB-OE2 3.49Å; S62-E64 PolarHBondContact O-N 2.97Å; S62-E64 PolarHBondContact OG-OE2 3.03Å; E64-F68 WeakPolarHBondContact O-CB 3.32Å; E64-F68 PolarHBondContact O-N 3.42Å; E64-F87 HydrophobicContact CB-CZ 4.26Å
65Y97.5Very high93.9Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-71.3-45.3179.7176.3-118.1000111.9H61 S62 A63 H67 F68 L69 F87 A140 Y145H61-Y65 HydrophobicContact CB-CD1 4.3Å; H61-Y65 AromaticContact ND1-CD1 3.77Å; H61-Y65 AromaticContact ND1-CE1 3.83Å; S62-Y65 PolarHBondContact O-N 3.43Å; S62-Y65 VanDerWaalsContact O-N 3.12Å; A63-Y65 VanDerWaalsContact C-N 3.28Å; A63-Y65 PolarHBondContact O-N 3.14Å; Y65-H67 VanDerWaalsContact C-N 3.34Å; Y65-H67 PolarHBondContact O-N 3.12Å; Y65-F68 HydrophobicContact CD2-CD1 4.33Å; Y65-F68 HydrophobicContact CE2-CD1 4.44Å; Y65-F68 WeakPolarHBondContact O-CB 3.38Å; Y65-F68 PolarHBondContact O-N 3.45Å; Y65-F68 VanDerWaalsContact O-N 3.14Å; Y65-L69 HydrophobicContact CE1-CD1 3.86Å; Y65-L69 HydrophobicContact CE2-CD1 4.32Å; Y65-L69 HydrophobicContact CE2-CD2 4.25Å; Y65-L69 HydrophobicContact CE2-CG 4.16Å; Y65-L69 PolarHBondContact O-N 3.28Å; Y65-F87 HydrophobicContact CD2-CB 3.91Å; Y65-F87 AromaticContact CD2-CD1 3.48Å; Y65-F87 HydrophobicContact CD2-CD1 3.48Å; Y65-F87 VanDerWaalsContact CD2-CD1 3.48Å; Y65-F87 HydrophobicContact CD2-CE1 4.11Å; Y65-F87 AromaticContact CD2-CG 3.8Å; Y65-F87 HydrophobicContact CD2-CG 3.8Å; Y65-F87 HydrophobicContact CE2-CB 4Å; Y65-F87 HydrophobicContact CE2-CD1 4.39Å; Y65-F87 HydrophobicContact CE2-CG 4.39Å; Y65-F87 HydrophobicContact CG-CD1 4.21Å; Y65-F87 HydrophobicContact CG-CE1 4.49Å; Y65-A140 WeakPolarHBondContact OH-CA 3.36Å; Y65-A140 WeakPolarHBondContact OH-CB 3.25Å; Y65-A140 PolarHBondContact OH-N 3.06Å; Y65-Y145 VanDerWaalsContact CE1-O 3.22Å; Y65-Y145 WeakPolarHBondContact CE1-O 3.48Å; Y65-Y145 WeakPolarHBondContact OH-CA 3.36Å; Y65-Y145 PolarHBondContact OH-O 2.88Å
66I98.1Very high92.7Very high0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-64.9-39.9176.9-61.7-55.1000111.3V54 M57 H61 S62 A63 F68 L69 K70 F100 V146V54-I66 HydrophobicContact CB-CG2 4.41Å; V54-I66 HydrophobicContact CG1-CG2 3.92Å; V54-I66 HydrophobicContact CG2-CG2 4.35Å; M57-I66 HydrophobicContact CB-CD1 3.84Å; M57-I66 HydrophobicContact CB-CG1 4.05Å; M57-I66 HydrophobicContact CB-CG2 4.26Å; M57-I66 HydrophobicContact CE-CG2 4.32Å; M57-I66 HydrophobicContact SD-CD1 4.43Å; H61-I66 HydrophobicContact CB-CD1 3.59Å; H61-I66 HydrophobicContact CB-CG1 3.6Å; S62-I66 PolarHBondContact O-N 3.46Å; A63-I66 PolarHBondContact O-N 2.95Å; I66-F68 VanDerWaalsContact C-N 3.33Å; I66-L69 PolarHBondContact O-N 3.42Å; I66-K70 WeakPolarHBondContact O-CB 3.43Å; I66-K70 PolarHBondContact O-N 2.94Å; I66-F100 HydrophobicContact CG2-CE2 3.99Å; I66-V146 HydrophobicContact CD1-CG2 3.98Å
67H96Very high91.6Very high92 Ų9246.6 Ų46.643%0.42625%0.254SS..Hα-helixtrans-67.9-31173.5-77.5-65.6000112.8A63 Y65 R71A63-H67 VanDerWaalsContact O-CB 3.29Å; A63-H67 WeakPolarHBondContact O-CB 3.46Å; A63-H67 PolarHBondContact O-CD2 2.94Å; A63-H67 PolarHBondContact O-N 2.64Å; Y65-H67 VanDerWaalsContact C-N 3.34Å; Y65-H67 PolarHBondContact O-N 3.12Å; H67-R71 WeakPolarHBondContact O-CB 3.5Å; H67-R71 WeakPolarHBondContact O-CG 3.44Å; H67-R71 PolarHBondContact O-N 3.16Å; H67-R71 VanDerWaalsContact O-N 3.16Å; H67-R71 PolarHBondContact O-NE 2.94Å
68F95.7Very high90.6Very high0 Ų051 Ų510%028%0.277CS..Hα-helixtrans-61.3-55.5168.9163.1-98.6000111E64 Y65 I66 K70 R71 T72 L80 E83 Y84 F87 I89 I95E64-F68 WeakPolarHBondContact O-CB 3.32Å; E64-F68 PolarHBondContact O-N 3.42Å; Y65-F68 HydrophobicContact CD2-CD1 4.33Å; Y65-F68 HydrophobicContact CE2-CD1 4.44Å; Y65-F68 WeakPolarHBondContact O-CB 3.38Å; Y65-F68 PolarHBondContact O-N 3.45Å; Y65-F68 VanDerWaalsContact O-N 3.14Å; I66-F68 VanDerWaalsContact C-N 3.33Å; F68-K70 VanDerWaalsContact C-N 3.25Å; F68-K70 PolarHBondContact O-N 3.39Å; F68-R71 PolarHBondContact O-N 2.99Å; F68-T72 HydrophobicContact CE1-CG2 4.3Å; F68-T72 HydrophobicContact CE2-CG2 4.34Å; F68-T72 HydrophobicContact CZ-CG2 4.09Å; F68-T72 WeakPolarHBondContact O-CG2 3.41Å; F68-T72 PolarHBondContact O-N 3.2Å; F68-L80 HydrophobicContact CD2-CD2 4.28Å; F68-L80 HydrophobicContact CE2-CB 4.44Å; F68-L80 HydrophobicContact CE2-CD2 4.07Å; F68-E83 HydrophobicContact CD2-CB 4.07Å; F68-E83 WeakPolarHBondContact CD2-OE2 3.39Å; F68-E83 HydrophobicContact CE2-CB 4.05Å; F68-Y84 HydrophobicContact CE2-CD1 4.29Å; F68-Y84 HydrophobicContact CE2-CE1 4.32Å; F68-Y84 HydrophobicContact CZ-CD1 4.02Å; F68-Y84 HydrophobicContact CZ-CE1 4.03Å; F68-F87 HydrophobicContact CB-CD2 3.77Å; F68-F87 HydrophobicContact CB-CE2 3.44Å; F68-F87 VanDerWaalsContact CB-CE2 3.44Å; F68-F87 HydrophobicContact CB-CZ 4.02Å; F68-F87 HydrophobicContact CD1-CB 4.13Å; F68-F87 AromaticContact CD1-CD2 3.56Å; F68-F87 HydrophobicContact CD1-CD2 3.56Å; F68-F87 HydrophobicContact CD1-CE2 4.17Å; F68-F87 AromaticContact CD1-CG 3.99Å; F68-F87 HydrophobicContact CD1-CG 3.99Å; F68-F87 AromaticContact CD2-CD2 3.64Å; F68-F87 HydrophobicContact CD2-CD2 3.64Å; F68-F87 AromaticContact CD2-CE2 3.83Å; F68-F87 HydrophobicContact CD2-CE2 3.83Å; F68-F87 HydrophobicContact CE1-CB 4.11Å; F68-F87 HydrophobicContact CE1-CD2 4.05Å; F68-F87 HydrophobicContact CE1-CG 4.41Å; F68-F87 HydrophobicContact CE2-CD2 4.11Å; F68-F87 AromaticContact CG-CD2 3.34Å; F68-F87 HydrophobicContact CG-CD2 3.34Å; F68-F87 AromaticContact CG-CE2 3.53Å; F68-F87 HydrophobicContact CG-CE2 3.53Å; F68-F87 HydrophobicContact CG-CG 4.2Å; F68-F87 HydrophobicContact CG-CZ 4.5Å; F68-F87 HydrophobicContact CZ-CD2 4.3Å; F68-I89 HydrophobicContact CE1-CD1 3.96Å; F68-I89 HydrophobicContact CE1-CG1 3.67Å; F68-I89 HydrophobicContact CZ-CG1 3.79Å; F68-I95 HydrophobicContact CE1-CD1 4.21Å; F68-I95 HydrophobicContact CZ-CD1 4.2Å
69L96.4Very high89.8Confident1 Ų154.3 Ų54.31%0.00529%0.289CS..Hα-helixtrans-55.6-42178.2-66.5178.9000111.6Y65 I66 R71 T72 F100 Y145 V146Y65-L69 HydrophobicContact CE1-CD1 3.86Å; Y65-L69 HydrophobicContact CE2-CD1 4.32Å; Y65-L69 HydrophobicContact CE2-CD2 4.25Å; Y65-L69 HydrophobicContact CE2-CG 4.16Å; Y65-L69 PolarHBondContact O-N 3.28Å; I66-L69 PolarHBondContact O-N 3.42Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 2.89Å; L69-T72 PolarHBondContact O-N 3.45Å; L69-T72 PolarHBondContact O-OG1 3.36Å; L69-F100 HydrophobicContact CB-CD2 4.15Å; L69-F100 WeakPolarHBondContact O-CB 3.48Å; L69-Y145 HydrophobicContact CD2-CD1 3.98Å; L69-V146 HydrophobicContact CD1-CG2 4.15Å
70K95.5Very high89.2Confident97 Ų9751.7 Ų51.742%0.42227%0.271SS..Hα-helixtrans-64.3-31.1178.7-168.3172.1-178176.70113.7V54 I66 F68 S73 F100V54-K70 HydrophobicContact CG2-CD 3.85Å; I66-K70 WeakPolarHBondContact O-CB 3.43Å; I66-K70 PolarHBondContact O-N 2.94Å; F68-K70 VanDerWaalsContact C-N 3.25Å; F68-K70 PolarHBondContact O-N 3.39Å; K70-S73 PolarHBondContact O-OG 3.45Å; K70-F100 HydrophobicContact CB-CD1 4.45Å; K70-F100 HydrophobicContact CB-CD2 3.63Å; K70-F100 HydrophobicContact CB-CE2 3.69Å; K70-F100 HydrophobicContact CB-CG 4.03Å; K70-F100 HydrophobicContact CB-CZ 4.16Å; K70-F100 HydrophobicContact CD-CE1 4.2Å; K70-F100 HydrophobicContact CD-CE2 4.23Å; K70-F100 HydrophobicContact CD-CZ 3.9Å; K70-F100 HydrophobicContact CG-CD1 4.14Å; K70-F100 HydrophobicContact CG-CD2 4.18Å; K70-F100 HydrophobicContact CG-CE1 4.05Å; K70-F100 HydrophobicContact CG-CE2 4.07Å; K70-F100 HydrophobicContact CG-CG 4.22Å; K70-F100 HydrophobicContact CG-CZ 4Å
71R92.6Very high88.6Confident62 Ų6256.8 Ų56.823%0.23429%0.293CS..Hα-helixtrans-81.5-15.4-179.5-73.9177.9-61.9146.24.1113H67 F68 L69 S73 T74 W75 E83H67-R71 WeakPolarHBondContact O-CB 3.5Å; H67-R71 WeakPolarHBondContact O-CG 3.44Å; H67-R71 PolarHBondContact O-N 3.16Å; H67-R71 VanDerWaalsContact O-N 3.16Å; H67-R71 PolarHBondContact O-NE 2.94Å; F68-R71 PolarHBondContact O-N 2.99Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 2.89Å; R71-S73 PolarHBondContact O-N 3.03Å; R71-S73 VanDerWaalsContact O-N 3.11Å; R71-T74 PolarHBondContact O-N 3.05Å; R71-T74 PolarHBondContact O-OG1 3.34Å; R71-W75 HydrophobicContact CB-CD2 4.41Å; R71-W75 HydrophobicContact CB-CG 4.41Å; R71-W75 PolarHBondContact O-N 3.47Å; R71-E83 IonicContact CZ-OE2 3.77Å; R71-E83 IonicContact NH1-OE2 3.94Å; R71-E83 IonicContact NH2-OE1 3.19Å; R71-E83 IonicContact NH2-OE2 3.75Å; R71-E83 PolarHBondContact NH2-OE2 3.12Å
72T90.4Very high88.2Confident18 Ų1865 Ų6511%0.1133%0.329CS..THydrogen-bonded Turntrans-64.1-19.1-177.964.90000113.2F68 L69 L80 I95 V99F68-T72 HydrophobicContact CE1-CG2 4.3Å; F68-T72 HydrophobicContact CE2-CG2 4.34Å; F68-T72 HydrophobicContact CZ-CG2 4.09Å; F68-T72 WeakPolarHBondContact O-CG2 3.41Å; F68-T72 PolarHBondContact O-N 3.2Å; L69-T72 PolarHBondContact O-N 3.45Å; L69-T72 PolarHBondContact O-OG1 3.36Å; T72-L80 HydrophobicContact CG2-CD1 4.27Å; T72-I95 HydrophobicContact CG2-CD1 3.8Å; T72-I95 HydrophobicContact CG2-CG1 4.15Å; T72-I95 HydrophobicContact CG2-CG2 3.96Å; T72-V99 WeakPolarHBondContact OG1-CG1 3.21Å
73S82.2Confident87.9Confident71 Ų7166.1 Ų66.150%0.49733%0.331SS..THydrogen-bonded Turntrans-81.2-10.8176.266.30000114.3K70 R71K70-S73 PolarHBondContact O-OG 3.45Å; R71-S73 PolarHBondContact O-N 3.03Å; R71-S73 VanDerWaalsContact O-N 3.11Å
74T79.9Confident87.7Confident107 Ų10766.5 Ų66.566%0.65632%0.324SS*.THydrogen-bonded Turntrans-127.2-15.9-172.459.10000114.9R71R71-T74 PolarHBondContact O-N 3.05Å; R71-T74 PolarHBondContact O-OG1 3.34Å
75W70.5Confident87.5Confident112 Ų11270.6 Ų70.642%0.42434%0.343SS..SBendtrans-101.4155.2-171.9-80.824.6000113.5R71 S77 E79 L80R71-W75 HydrophobicContact CB-CD2 4.41Å; R71-W75 HydrophobicContact CB-CG 4.41Å; R71-W75 PolarHBondContact O-N 3.47Å; W75-S77 PolarHBondContact O-N 3.45Å; W75-E79 HydrophobicContact CE3-CB 4.36Å; W75-L80 HydrophobicContact CB-CD1 3.95Å; W75-L80 HydrophobicContact CB-CD2 4.01Å; W75-L80 HydrophobicContact CB-CG 3.87Å; W75-L80 HydrophobicContact CD2-CD2 4.47Å; W75-L80 HydrophobicContact CE3-CD2 3.96Å
76D72.5Confident87.4Confident89 Ų8977.7 Ų77.748%0.47637%0.37SS..  trans-62.1127.3169.4-179.9-0.2000109.4N78 E79 L80D76-N78 PolarHBondContact O-N 2.89Å; D76-N78 PolarHBondContact OD1-N 2.92Å; D76-N78 PolarHBondContact OD1-ND2 2.92Å; D76-N78 PolarHBondContact OD2-ND2 3.34Å; D76-E79 PolarHBondContact O-N 2.9Å; D76-L80 PolarHBondContact O-N 3.24Å
77S75.1Confident87.3Confident55 Ų5577.8 Ų77.839%0.38537%0.37SS..Hα-helixtrans-41.8-34.6170.766.40000114.1W75 K81W75-S77 PolarHBondContact O-N 3.45Å; S77-K81 WeakPolarHBondContact O-CG 3.44Å; S77-K81 PolarHBondContact O-N 2.67Å
78N77.9Confident87.4Confident91 Ų9175.8 Ų75.849%0.48736%0.363SS..Hα-helixtrans-73-31.9-178-65.5-41.7000114D76 K81D76-N78 PolarHBondContact O-N 2.89Å; D76-N78 PolarHBondContact OD1-N 2.92Å; D76-N78 PolarHBondContact OD1-ND2 2.92Å; D76-N78 PolarHBondContact OD2-ND2 3.34Å; N78-K81 PolarHBondContact OD1-NZ 2.95Å
79E81.6Confident87.4Confident108 Ų10876.4 Ų76.451%0.50537%0.366SS..Hα-helixtrans-74.2-42.2175-66.6-170.4155.600110.7W75 D76 K81 K82W75-E79 HydrophobicContact CE3-CB 4.36Å; D76-E79 PolarHBondContact O-N 2.9Å; E79-K81 VanDerWaalsContact C-N 3.31Å; E79-K81 PolarHBondContact O-N 3.25Å; E79-K82 WeakPolarHBondContact O-CB 3.26Å; E79-K82 PolarHBondContact O-N 3.4Å
80L84.1Confident87.2Confident4 Ų479.8 Ų79.82%0.02138%0.384CS..Hα-helixtrans-63.1-35.8178.9-65.6170000112.4F68 T72 W75 D76 K82 E83 Y84F68-L80 HydrophobicContact CD2-CD2 4.28Å; F68-L80 HydrophobicContact CE2-CB 4.44Å; F68-L80 HydrophobicContact CE2-CD2 4.07Å; T72-L80 HydrophobicContact CG2-CD1 4.27Å; W75-L80 HydrophobicContact CB-CD1 3.95Å; W75-L80 HydrophobicContact CB-CD2 4.01Å; W75-L80 HydrophobicContact CB-CG 3.87Å; W75-L80 HydrophobicContact CD2-CD2 4.47Å; W75-L80 HydrophobicContact CE3-CD2 3.96Å; D76-L80 PolarHBondContact O-N 3.24Å; L80-K82 PolarHBondContact O-N 3.29Å; L80-E83 PolarHBondContact O-N 3Å; L80-Y84 HydrophobicContact CB-CE1 3.84Å; L80-Y84 WeakPolarHBondContact O-CD1 3.36Å; L80-Y84 WeakPolarHBondContact O-CE1 3.39Å
81K85.6Confident87Confident115 Ų11578.1 Ų78.150%0.539%0.394SS..Hα-helixtrans-54.1-27.4178.2-84.4170.3-167167.40113.8S77 N78 E79 E83 Y84S77-K81 WeakPolarHBondContact O-CG 3.44Å; S77-K81 PolarHBondContact O-N 2.67Å; N78-K81 PolarHBondContact OD1-NZ 2.95Å; E79-K81 VanDerWaalsContact C-N 3.31Å; E79-K81 PolarHBondContact O-N 3.25Å; K81-E83 PolarHBondContact O-N 3Å; K81-Y84 HydrophobicContact CG-CD2 4.13Å; K81-Y84 HydrophobicContact CG-CE2 3.9Å; K81-Y84 PolarHBondContact O-N 2.99Å
82K88.2Confident87Confident177 Ų17779 Ų7977%0.7740%0.403SS*.Hα-helixtrans-66-22.8176.2-62.8176.3-176.71700112.8E79 L80E79-K82 WeakPolarHBondContact O-CB 3.26Å; E79-K82 PolarHBondContact O-N 3.4Å; L80-K82 PolarHBondContact O-N 3.29Å
83E91.3Very high87.3Confident45 Ų4578.1 Ų78.121%0.2140%0.398CS..Hα-helixtrans-100.1-5.6179.9-54.1-165.7117.900112.8F68 R71 L80 K81 E85 R86 F87F68-E83 HydrophobicContact CD2-CB 4.07Å; F68-E83 WeakPolarHBondContact CD2-OE2 3.39Å; F68-E83 HydrophobicContact CE2-CB 4.05Å; R71-E83 IonicContact CZ-OE2 3.77Å; R71-E83 IonicContact NH1-OE2 3.94Å; R71-E83 IonicContact NH2-OE1 3.19Å; R71-E83 IonicContact NH2-OE2 3.75Å; R71-E83 PolarHBondContact NH2-OE2 3.12Å; L80-E83 PolarHBondContact O-N 3Å; K81-E83 PolarHBondContact O-N 3Å; E83-E85 PolarHBondContact O-N 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.35Å; E83-R86 PolarHBondContact O-N 3.45Å; E83-R86 VanDerWaalsContact O-N 3.17Å; E83-F87 HydrophobicContact CB-CD2 3.75Å; E83-F87 HydrophobicContact CB-CE2 3.81Å; E83-F87 HydrophobicContact CG-CE2 4.41Å; E83-F87 WeakPolarHBondContact O-CD2 3.4Å; E83-F87 PolarHBondContact O-N 3.3Å
84Y93.8Very high87.9Confident50 Ų5076 Ų7620%0.19638%0.383CS..Hα-helixtrans-62.1-45.4-173.8-8117.9000112.6F68 L80 K81 R86 F87 N88 I89 I95F68-Y84 HydrophobicContact CE2-CD1 4.29Å; F68-Y84 HydrophobicContact CE2-CE1 4.32Å; F68-Y84 HydrophobicContact CZ-CD1 4.02Å; F68-Y84 HydrophobicContact CZ-CE1 4.03Å; L80-Y84 HydrophobicContact CB-CE1 3.84Å; L80-Y84 WeakPolarHBondContact O-CD1 3.36Å; L80-Y84 WeakPolarHBondContact O-CE1 3.39Å; K81-Y84 HydrophobicContact CG-CD2 4.13Å; K81-Y84 HydrophobicContact CG-CE2 3.9Å; K81-Y84 PolarHBondContact O-N 2.99Å; Y84-R86 VanDerWaalsContact C-N 3.29Å; Y84-R86 PolarHBondContact O-N 2.72Å; Y84-F87 PolarHBondContact O-N 3.39Å; Y84-N88 WeakPolarHBondContact O-CA 3.35Å; Y84-N88 PolarHBondContact O-N 3.15Å; Y84-I89 HydrophobicContact CD1-CB 4Å; Y84-I89 HydrophobicContact CD1-CG1 4.39Å; Y84-I89 HydrophobicContact CD1-CG2 3.92Å; Y84-I89 HydrophobicContact CD2-CB 4.14Å; Y84-I89 HydrophobicContact CD2-CG2 3.71Å; Y84-I89 HydrophobicContact CE1-CG2 3.99Å; Y84-I89 HydrophobicContact CE2-CG2 3.8Å; Y84-I89 HydrophobicContact CG-CB 3.78Å; Y84-I89 HydrophobicContact CG-CG2 3.78Å; Y84-I89 PolarHBondContact O-N 2.89Å; Y84-I95 HydrophobicContact CE1-CG1 4.05Å; Y84-I95 WeakPolarHBondContact OH-CG1 3.3Å
85E93.7Very high88.6Confident189 Ų18973.1 Ų73.188%0.88336%0.363SS*.Hα-helixtrans-60.4-41.6176.6-175179.7-17800111.2E83 F87 N88E83-E85 PolarHBondContact O-N 3.32Å; E85-F87 PolarHBondContact O-N 3.14Å; E85-N88 PolarHBondContact O-N 3.3Å
86R95Very high89.6Confident149 Ų14968.6 Ų68.656%0.56235%0.346SS*.Hα-helixtrans-63.2-40.2179.7178.3-177176.8-171.4-0.8112.5E83 Y84E83-R86 WeakPolarHBondContact O-CB 3.35Å; E83-R86 PolarHBondContact O-N 3.45Å; E83-R86 VanDerWaalsContact O-N 3.17Å; Y84-R86 VanDerWaalsContact C-N 3.29Å; Y84-R86 PolarHBondContact O-N 2.72Å
87F96.4Very high90.5Very high2 Ų271.4 Ų71.41%0.00936%0.361CS..Hα-helixtrans-101.99.7-174.5-62.8-51.5000113.8E64 Y65 F68 E83 Y84 E85 I89 S138 M139 A140E64-F87 HydrophobicContact CB-CZ 4.26Å; Y65-F87 HydrophobicContact CD2-CB 3.91Å; Y65-F87 AromaticContact CD2-CD1 3.48Å; Y65-F87 HydrophobicContact CD2-CD1 3.48Å; Y65-F87 VanDerWaalsContact CD2-CD1 3.48Å; Y65-F87 HydrophobicContact CD2-CE1 4.11Å; Y65-F87 AromaticContact CD2-CG 3.8Å; Y65-F87 HydrophobicContact CD2-CG 3.8Å; Y65-F87 HydrophobicContact CE2-CB 4Å; Y65-F87 HydrophobicContact CE2-CD1 4.39Å; Y65-F87 HydrophobicContact CE2-CG 4.39Å; Y65-F87 HydrophobicContact CG-CD1 4.21Å; Y65-F87 HydrophobicContact CG-CE1 4.49Å; F68-F87 HydrophobicContact CB-CD2 3.77Å; F68-F87 HydrophobicContact CB-CE2 3.44Å; F68-F87 VanDerWaalsContact CB-CE2 3.44Å; F68-F87 HydrophobicContact CB-CZ 4.02Å; F68-F87 HydrophobicContact CD1-CB 4.13Å; F68-F87 AromaticContact CD1-CD2 3.56Å; F68-F87 HydrophobicContact CD1-CD2 3.56Å; F68-F87 HydrophobicContact CD1-CE2 4.17Å; F68-F87 AromaticContact CD1-CG 3.99Å; F68-F87 HydrophobicContact CD1-CG 3.99Å; F68-F87 AromaticContact CD2-CD2 3.64Å; F68-F87 HydrophobicContact CD2-CD2 3.64Å; F68-F87 AromaticContact CD2-CE2 3.83Å; F68-F87 HydrophobicContact CD2-CE2 3.83Å; F68-F87 HydrophobicContact CE1-CB 4.11Å; F68-F87 HydrophobicContact CE1-CD2 4.05Å; F68-F87 HydrophobicContact CE1-CG 4.41Å; F68-F87 HydrophobicContact CE2-CD2 4.11Å; F68-F87 AromaticContact CG-CD2 3.34Å; F68-F87 HydrophobicContact CG-CD2 3.34Å; F68-F87 AromaticContact CG-CE2 3.53Å; F68-F87 HydrophobicContact CG-CE2 3.53Å; F68-F87 HydrophobicContact CG-CG 4.2Å; F68-F87 HydrophobicContact CG-CZ 4.5Å; F68-F87 HydrophobicContact CZ-CD2 4.3Å; E83-F87 HydrophobicContact CB-CD2 3.75Å; E83-F87 HydrophobicContact CB-CE2 3.81Å; E83-F87 HydrophobicContact CG-CE2 4.41Å; E83-F87 WeakPolarHBondContact O-CD2 3.4Å; E83-F87 PolarHBondContact O-N 3.3Å; Y84-F87 PolarHBondContact O-N 3.39Å; E85-F87 PolarHBondContact O-N 3.14Å; F87-I89 HydrophobicContact CB-CG1 4.18Å; F87-S138 WeakPolarHBondContact CD1-O 3.42Å; F87-M139 WeakPolarHBondContact O-CA 3.45Å; F87-A140 PolarHBondContact O-N 2.8Å
88N96.8Very high91.4Very high50 Ų5069.3 Ų69.327%0.26735%0.348SS..THydrogen-bonded Turntrans5352.6-179.3-163.956.3000113.2Y84 E85 M139 A140Y84-N88 WeakPolarHBondContact O-CA 3.35Å; Y84-N88 PolarHBondContact O-N 3.15Å; E85-N88 PolarHBondContact O-N 3.3Å; N88-M139 HydrophobicContact CB-CB 3.84Å; N88-M139 HydrophobicContact CB-CE 3.68Å; N88-M139 HydrophobicContact CB-SD 4.48Å; N88-A140 WeakPolarHBondContact CB-O 3.32Å; N88-A140 PolarHBondContact ND2-O 3.38Å
89I95.8Very high92.3Very high13 Ų1365 Ų657%0.06733%0.325CS..  trans-97.6113.8176.4-58.4-55.5000108.7F68 Y84 F87 C93 I95 A140 Y145F68-I89 HydrophobicContact CE1-CD1 3.96Å; F68-I89 HydrophobicContact CE1-CG1 3.67Å; F68-I89 HydrophobicContact CZ-CG1 3.79Å; Y84-I89 HydrophobicContact CD1-CB 4Å; Y84-I89 HydrophobicContact CD1-CG1 4.39Å; Y84-I89 HydrophobicContact CD1-CG2 3.92Å; Y84-I89 HydrophobicContact CD2-CB 4.14Å; Y84-I89 HydrophobicContact CD2-CG2 3.71Å; Y84-I89 HydrophobicContact CE1-CG2 3.99Å; Y84-I89 HydrophobicContact CE2-CG2 3.8Å; Y84-I89 HydrophobicContact CG-CB 3.78Å; Y84-I89 HydrophobicContact CG-CG2 3.78Å; Y84-I89 PolarHBondContact O-N 2.89Å; F87-I89 HydrophobicContact CB-CG1 4.18Å; I89-C93 WeakPolarHBondContact CG2-O 3.46Å; I89-I95 HydrophobicContact CD1-CD1 4.01Å; I89-I95 HydrophobicContact CG1-CD1 4.26Å; I89-I95 HydrophobicContact CG2-CD1 3.88Å; I89-I95 HydrophobicContact CG2-CG1 3.67Å; I89-A140 HydrophobicContact CD1-CB 4.01Å; I89-Y145 HydrophobicContact CD1-CD1 4.45Å; I89-Y145 HydrophobicContact CD1-CE1 4.26Å
90D92.9Very high93Very high72 Ų7261 Ų6139%0.38531%0.306SS..SBendtrans-145.8-155.1-173.665.59.9000111.7D92 C93 P94D90-D92 PolarHBondContact OD1-N 2.85Å; D90-C93 CarbonylContact O-C 3.27Å; D90-C93 VanDerWaalsContact O-C 3.27Å; D90-C93 PolarHBondContact OD1-N 2.87Å; D90-P94 VanDerWaalsContact O-CA 3.29Å; D90-P94 WeakPolarHBondContact O-CA 3.28Å; D90-P94 VanDerWaalsContact O-N 3.13Å
91G90Very high93.6Very high61 Ų6164.2 Ų64.263%0.62932%0.323SS*.SBendtrans-71.2-27.6179.100000114.6
92D94.1Very high94.2Very high80 Ų8059 Ų5943%0.42830%0.301SS..SBendtrans-82.2-35175.4-70.6-17.7000110H21 D90 P94 F143H21-D92 PolarHBondContact NE2-O 2.84Å; D90-D92 PolarHBondContact OD1-N 2.85Å; D92-P94 WeakPolarHBondContact O-CD 3.44Å; D92-F143 HydrophobicContact CB-CD1 3.83Å; D92-F143 HydrophobicContact CB-CE1 3.72Å; D92-F143 WeakPolarHBondContact O-CD1 3.18Å
93C96.3Very high94.6Very high0 Ų050.5 Ų50.50%026%0.264CS..SBendtrans-116.961.3177.9-59.30000112.3I89 D90 A140 Y145I89-C93 WeakPolarHBondContact CG2-O 3.46Å; D90-C93 CarbonylContact O-C 3.27Å; D90-C93 VanDerWaalsContact O-C 3.27Å; D90-C93 PolarHBondContact OD1-N 2.87Å; C93-A140 HydrophobicContact CB-CB 3.6Å; C93-Y145 WeakPolarHBondContact CA-OH 3.43Å; C93-Y145 HydrophobicContact CB-CE1 3.98Å
94P94.8Very high94.9Very high28 Ų2848.5 Ų48.518%0.18226%0.255CS..  trans-69.4150.2-176.730.5-35.9000111.8Y17 D90 D92 F96 Y145Y17-P94 HydrophobicContact CD1-CG 4.47Å; Y17-P94 WeakPolarHBondContact O-CG 3.36Å; D90-P94 VanDerWaalsContact O-CA 3.29Å; D90-P94 WeakPolarHBondContact O-CA 3.28Å; D90-P94 VanDerWaalsContact O-N 3.13Å; D92-P94 WeakPolarHBondContact O-CD 3.44Å; P94-F96 PolarHBondContact O-N 2.91Å; P94-Y145 WeakPolarHBondContact CD-OH 3.33Å; P94-Y145 VanDerWaalsContact N-OH 3.16Å; P94-Y145 PolarHBondContact O-OH 2.89Å
95I93.6Very high95.1Very high45 Ų4548.1 Ų48.123%0.23125%0.254CS..  trans-76.4119.8166.3-59.1-53000108.7F68 T72 Y84 I89 V99F68-I95 HydrophobicContact CE1-CD1 4.21Å; F68-I95 HydrophobicContact CZ-CD1 4.2Å; T72-I95 HydrophobicContact CG2-CD1 3.8Å; T72-I95 HydrophobicContact CG2-CG1 4.15Å; T72-I95 HydrophobicContact CG2-CG2 3.96Å; Y84-I95 HydrophobicContact CE1-CG1 4.05Å; Y84-I95 WeakPolarHBondContact OH-CG1 3.3Å; I89-I95 HydrophobicContact CD1-CD1 4.01Å; I89-I95 HydrophobicContact CG1-CD1 4.26Å; I89-I95 HydrophobicContact CG2-CD1 3.88Å; I89-I95 HydrophobicContact CG2-CG1 3.67Å; I95-V99 HydrophobicContact CD1-CG1 4.48Å; I95-V99 HydrophobicContact CG2-CG1 4.33Å
96F92.4Very high95.4Very high18 Ų1839.1 Ų39.18%0.07921%0.212CC..  trans-119.2165.8172.960.8-95.4000111.2F15 H16 Y17 P94 G98 V99 F102 Y145F15-F96 HydrophobicContact CB-CE2 3.98Å; F15-F96 HydrophobicContact CD1-CE2 4.24Å; F15-F96 HydrophobicContact CG-CE2 4.47Å; H16-F96 WeakPolarHBondContact O-CB 3.42Å; Y17-F96 HydrophobicContact CD1-CD1 4.47Å; Y17-F96 HydrophobicContact CD1-CE1 4.13Å; Y17-F96 HydrophobicContact CD2-CD1 4.04Å; Y17-F96 AromaticContact CD2-CE1 3.49Å; Y17-F96 HydrophobicContact CD2-CE1 3.49Å; Y17-F96 VanDerWaalsContact CD2-CE1 3.49Å; Y17-F96 AromaticContact CD2-CZ 3.87Å; Y17-F96 HydrophobicContact CD2-CZ 3.87Å; Y17-F96 HydrophobicContact CE1-CE1 4.14Å; Y17-F96 HydrophobicContact CE2-CD1 4.44Å; Y17-F96 AromaticContact CE2-CE1 3.47Å; Y17-F96 HydrophobicContact CE2-CE1 3.47Å; Y17-F96 VanDerWaalsContact CE2-CE1 3.47Å; Y17-F96 AromaticContact CE2-CZ 3.63Å; Y17-F96 HydrophobicContact CE2-CZ 3.63Å; Y17-F96 HydrophobicContact CG-CD1 4.05Å; Y17-F96 AromaticContact CG-CE1 3.84Å; Y17-F96 HydrophobicContact CG-CE1 3.84Å; Y17-F96 AromaticContact CZ-CE1 3.82Å; P94-F96 PolarHBondContact O-N 2.91Å; F96-G98 PolarHBondContact O-N 3.42Å; F96-V99 HydrophobicContact CD1-CB 4.33Å; F96-V99 HydrophobicContact CD1-CG2 4.34Å; F96-V99 HydrophobicContact CD2-CB 4.2Å; F96-V99 HydrophobicContact CE1-CB 4.11Å; F96-V99 HydrophobicContact CE1-CG2 3.79Å; F96-V99 HydrophobicContact CE2-CB 3.96Å; F96-V99 HydrophobicContact CE2-CG2 4.36Å; F96-V99 HydrophobicContact CG-CB 4.37Å; F96-V99 HydrophobicContact CZ-CB 3.92Å; F96-V99 HydrophobicContact CZ-CG2 3.8Å; F96-V99 PolarHBondContact O-N 3.29Å; F96-V99 VanDerWaalsContact O-N 3.15Å; F96-F102 HydrophobicContact CE2-CB 4.14Å; F96-F102 HydrophobicContact CE2-CD1 4.47Å; F96-F102 HydrophobicContact CE2-CG 4.44Å; F96-F102 HydrophobicContact CZ-CB 4.21Å; F96-F102 AromaticContact CZ-CD1 3.77Å; F96-F102 HydrophobicContact CZ-CD1 3.77Å; F96-F102 HydrophobicContact CZ-CG 4.18Å; F96-Y145 AromaticContact CE1-CE2 3.99Å; F96-Y145 HydrophobicContact CE1-CE2 3.99Å
97D91.5Very high95.5Very high148 Ų14832 Ų3279%0.79119%0.185SC*.THydrogen-bonded Turntrans-60.5126.3-178.1-172.426.4000111.6V99D97-V99 PolarHBondContact O-N 2.87Å
98G94.1Very high95.6Very high11 Ų1132.1 Ų32.111%0.11319%0.187CC..THydrogen-bonded Turntrans70.720.2-177.400000115.9F15 F96 F100 N101 F102F15-G98 WeakPolarHBondContact CE1-O 3.28Å; F96-G98 PolarHBondContact O-N 3.42Å; G98-F100 PolarHBondContact O-N 2.94Å; G98-F100 VanDerWaalsContact O-N 3.15Å; G98-N101 WeakPolarHBondContact O-CA 3.28Å; G98-N101 WeakPolarHBondContact O-CB 3.44Å; G98-N101 PolarHBondContact O-N 3.06Å; G98-F102 PolarHBondContact O-N 3.02Å
99V95.7Very high95.7Very high1 Ų129.7 Ų29.71%0.00617%0.174CC..Hα-helixtrans-50.2-40.7178.863.20000113.4T72 I95 F96 D97 F102 C103 Y145T72-V99 WeakPolarHBondContact OG1-CG1 3.21Å; I95-V99 HydrophobicContact CD1-CG1 4.48Å; I95-V99 HydrophobicContact CG2-CG1 4.33Å; F96-V99 HydrophobicContact CD1-CB 4.33Å; F96-V99 HydrophobicContact CD1-CG2 4.34Å; F96-V99 HydrophobicContact CD2-CB 4.2Å; F96-V99 HydrophobicContact CE1-CB 4.11Å; F96-V99 HydrophobicContact CE1-CG2 3.79Å; F96-V99 HydrophobicContact CE2-CB 3.96Å; F96-V99 HydrophobicContact CE2-CG2 4.36Å; F96-V99 HydrophobicContact CG-CB 4.37Å; F96-V99 HydrophobicContact CZ-CB 3.92Å; F96-V99 HydrophobicContact CZ-CG2 3.8Å; F96-V99 PolarHBondContact O-N 3.29Å; F96-V99 VanDerWaalsContact O-N 3.15Å; D97-V99 PolarHBondContact O-N 2.87Å; V99-F102 WeakPolarHBondContact O-CB 3.41Å; V99-F102 PolarHBondContact O-N 3.48Å; V99-C103 PolarHBondContact O-N 2.88Å; V99-C103 PolarHBondContact O-SG 3Å; V99-Y145 HydrophobicContact CG2-CD1 3.96Å; V99-Y145 HydrophobicContact CG2-CD2 4.22Å; V99-Y145 HydrophobicContact CG2-CE1 3.9Å; V99-Y145 HydrophobicContact CG2-CE2 4.19Å; V99-Y145 HydrophobicContact CG2-CG 4.13Å
100F96.9Very high95.8Very high23 Ų2329.1 Ų29.110%0.10117%0.171CC..Hα-helixtrans-64.5-43175178.4-95.4000112.5V54 M57 I66 L69 K70 G98 F102 C103 A104V54-F100 HydrophobicContact CG2-CE2 4.37Å; V54-F100 HydrophobicContact CG2-CZ 3.9Å; M57-F100 HydrophobicContact CE-CD2 4.4Å; M57-F100 HydrophobicContact CE-CE1 4.4Å; M57-F100 HydrophobicContact CE-CE2 3.44Å; M57-F100 VanDerWaalsContact CE-CE2 3.44Å; M57-F100 HydrophobicContact CE-CZ 3.43Å; M57-F100 VanDerWaalsContact CE-CZ 3.43Å; M57-F100 HydrophobicContact SD-CE2 4.44Å; I66-F100 HydrophobicContact CG2-CE2 3.99Å; L69-F100 HydrophobicContact CB-CD2 4.15Å; L69-F100 WeakPolarHBondContact O-CB 3.48Å; K70-F100 HydrophobicContact CB-CD1 4.45Å; K70-F100 HydrophobicContact CB-CD2 3.63Å; K70-F100 HydrophobicContact CB-CE2 3.69Å; K70-F100 HydrophobicContact CB-CG 4.03Å; K70-F100 HydrophobicContact CB-CZ 4.16Å; K70-F100 HydrophobicContact CD-CE1 4.2Å; K70-F100 HydrophobicContact CD-CE2 4.23Å; K70-F100 HydrophobicContact CD-CZ 3.9Å; K70-F100 HydrophobicContact CG-CD1 4.14Å; K70-F100 HydrophobicContact CG-CD2 4.18Å; K70-F100 HydrophobicContact CG-CE1 4.05Å; K70-F100 HydrophobicContact CG-CE2 4.07Å; K70-F100 HydrophobicContact CG-CG 4.22Å; K70-F100 HydrophobicContact CG-CZ 4Å; G98-F100 PolarHBondContact O-N 2.94Å; G98-F100 VanDerWaalsContact O-N 3.15Å; F100-F102 VanDerWaalsContact C-N 3.34Å; F100-C103 WeakPolarHBondContact O-CB 3.48Å; F100-C103 PolarHBondContact O-N 2.81Å; F100-A104 WeakPolarHBondContact O-CB 3.48Å; F100-A104 PolarHBondContact O-N 2.99Å
101N96.8Very high96.1Very high71 Ų7126.4 Ų26.438%0.3816%0.157SC..Hα-helixtrans-65.8-38.2178.1-64.692.8000111.6F15 G98 C103 A104 K105F15-N101 HydrophobicContact CE1-CB 3.99Å; F15-N101 HydrophobicContact CZ-CB 4.02Å; G98-N101 WeakPolarHBondContact O-CA 3.28Å; G98-N101 WeakPolarHBondContact O-CB 3.44Å; G98-N101 PolarHBondContact O-N 3.06Å; N101-C103 VanDerWaalsContact C-N 3.34Å; N101-A104 PolarHBondContact O-N 3.12Å; N101-K105 WeakPolarHBondContact O-CB 3.29Å; N101-K105 VanDerWaalsContact O-CG 3.31Å; N101-K105 WeakPolarHBondContact O-CG 3.28Å; N101-K105 PolarHBondContact O-N 3.25Å
102F97.2Very high96.5Very high5 Ų525 Ų252%0.02214%0.139CC..Hα-helixtrans-57.4-49.7171.5177.8-117.4000110.7M12 F15 Y17 P25 F96 G98 V99 F100 A104 K105 Y106M12-F102 HydrophobicContact SD-CD2 3.76Å; M12-F102 HydrophobicContact SD-CE2 3.79Å; F15-F102 HydrophobicContact CB-CB 4.31Å; F15-F102 HydrophobicContact CB-CD2 4Å; F15-F102 HydrophobicContact CB-CG 4.26Å; F15-F102 HydrophobicContact CD1-CB 3.74Å; F15-F102 HydrophobicContact CD2-CB 3.92Å; F15-F102 AromaticContact CD2-CD2 3.49Å; F15-F102 HydrophobicContact CD2-CD2 3.49Å; F15-F102 VanDerWaalsContact CD2-CD2 3.49Å; F15-F102 HydrophobicContact CD2-CE2 4.45Å; F15-F102 HydrophobicContact CD2-CG 4.12Å; F15-F102 HydrophobicContact CE1-CB 3.96Å; F15-F102 HydrophobicContact CE2-CB 4.15Å; F15-F102 HydrophobicContact CE2-CD2 4.13Å; F15-F102 HydrophobicContact CG-CB 3.71Å; F15-F102 AromaticContact CG-CD2 3.81Å; F15-F102 HydrophobicContact CG-CD2 3.81Å; F15-F102 HydrophobicContact CG-CG 4.06Å; F15-F102 HydrophobicContact CZ-CB 4.16Å; Y17-F102 HydrophobicContact CE2-CD1 4.33Å; Y17-F102 AromaticContact CE2-CE1 3.82Å; Y17-F102 HydrophobicContact CE2-CE1 3.82Å; Y17-F102 HydrophobicContact CE2-CZ 4.36Å; Y17-F102 WeakPolarHBondContact OH-CE1 3.23Å; P25-F102 HydrophobicContact CB-CE2 4.14Å; P25-F102 HydrophobicContact CG-CE2 4.18Å; P25-F102 HydrophobicContact CG-CZ 4.26Å; F96-F102 HydrophobicContact CE2-CB 4.14Å; F96-F102 HydrophobicContact CE2-CD1 4.47Å; F96-F102 HydrophobicContact CE2-CG 4.44Å; F96-F102 HydrophobicContact CZ-CB 4.21Å; F96-F102 AromaticContact CZ-CD1 3.77Å; F96-F102 HydrophobicContact CZ-CD1 3.77Å; F96-F102 HydrophobicContact CZ-CG 4.18Å; G98-F102 PolarHBondContact O-N 3.02Å; V99-F102 WeakPolarHBondContact O-CB 3.41Å; V99-F102 PolarHBondContact O-N 3.48Å; F100-F102 VanDerWaalsContact C-N 3.34Å; F102-A104 PolarHBondContact O-N 3.33Å; F102-K105 PolarHBondContact O-N 2.86Å; F102-Y106 HydrophobicContact CD1-CD1 4.06Å; F102-Y106 AromaticContact CD1-CE1 3.65Å; F102-Y106 HydrophobicContact CD1-CE1 3.65Å; F102-Y106 HydrophobicContact CD2-CD1 4.31Å; F102-Y106 AromaticContact CE1-CD1 3.86Å; F102-Y106 HydrophobicContact CE1-CD1 3.86Å; F102-Y106 AromaticContact CE1-CE1 3.53Å; F102-Y106 HydrophobicContact CE1-CE1 3.53Å; F102-Y106 HydrophobicContact CE2-CD1 4.12Å; F102-Y106 HydrophobicContact CG-CD1 4.28Å; F102-Y106 HydrophobicContact CG-CE1 4.25Å; F102-Y106 AromaticContact CZ-CD1 3.89Å; F102-Y106 HydrophobicContact CZ-CD1 3.89Å; F102-Y106 HydrophobicContact CZ-CE1 4.05Å; F102-Y106 WeakPolarHBondContact O-CD1 3.35Å; F102-Y106 PolarHBondContact O-N 2.87Å
103C98Very high96.7Very high0 Ų021.1 Ų21.10%012%0.118CC..Hα-helixtrans-58.7-47.6176.8-62.80000113.1V99 F100 N101 K105 Y106 A107 Y145 V146V99-C103 PolarHBondContact O-N 2.88Å; V99-C103 PolarHBondContact O-SG 3Å; F100-C103 WeakPolarHBondContact O-CB 3.48Å; F100-C103 PolarHBondContact O-N 2.81Å; N101-C103 VanDerWaalsContact C-N 3.34Å; C103-K105 VanDerWaalsContact C-N 3.3Å; C103-K105 PolarHBondContact O-N 3.16Å; C103-Y106 HydrophobicContact CB-CE1 4.23Å; C103-Y106 PolarHBondContact SG-OH 2.82Å; C103-Y106 VanDerWaalsContact SG-OH 3.34Å; C103-A107 WeakPolarHBondContact O-CB 3.41Å; C103-A107 PolarHBondContact O-N 3.31Å; C103-A107 VanDerWaalsContact O-N 3.08Å; C103-Y145 VanDerWaalsContact SG-CB 3.57Å; C103-V146 HydrophobicContact CB-CB 4.11Å; C103-V146 HydrophobicContact CB-CG2 3.71Å
104A98.1Very high96.8Very high3 Ų321.1 Ų21.13%0.02512%0.118CC..Hα-helixtrans-61.5-39.5-179.700000111.6D51 A52 M57 F100 N101 F102 G108D51-A104 HydrophobicContact CB-CB 4Å; A52-A104 PolarHBondContact N-O 2.88Å; M57-A104 HydrophobicContact CE-CB 4.19Å; F100-A104 WeakPolarHBondContact O-CB 3.48Å; F100-A104 PolarHBondContact O-N 2.99Å; N101-A104 PolarHBondContact O-N 3.12Å; F102-A104 PolarHBondContact O-N 3.33Å; A104-G108 WeakPolarHBondContact O-CA 3.41Å; A104-G108 PolarHBondContact O-N 3.46Å
105K98.1Very high97Very high41 Ų4121.3 Ų21.318%0.17812%0.12CC..Hα-helixtrans-65.1-54.9-180-76.7172.5172.2-68.60113E10 M12 F15 D51 N101 F102 C103 A107 G108 A109E10-K105 PolarHBondContact O-NZ 2.79Å; M12-K105 HydrophobicContact CE-CB 3.38Å; M12-K105 HydrophobicContact CE-CD 4.47Å; M12-K105 HydrophobicContact SD-CB 4.23Å; M12-K105 HydrophobicContact SD-CD 4.42Å; F15-K105 HydrophobicContact CE2-CD 3.7Å; F15-K105 HydrophobicContact CZ-CD 3.89Å; D51-K105 VanDerWaalsContact OD1-CG 3.22Å; D51-K105 WeakPolarHBondContact OD1-CG 3.25Å; D51-K105 IonicContact OD1-NZ 3.81Å; N101-K105 WeakPolarHBondContact O-CB 3.29Å; N101-K105 VanDerWaalsContact O-CG 3.31Å; N101-K105 WeakPolarHBondContact O-CG 3.28Å; N101-K105 PolarHBondContact O-N 3.25Å; F102-K105 PolarHBondContact O-N 2.86Å; C103-K105 VanDerWaalsContact C-N 3.3Å; C103-K105 PolarHBondContact O-N 3.16Å; K105-A107 PolarHBondContact O-N 3.12Å; K105-G108 PolarHBondContact O-N 3.48Å; K105-A109 PolarHBondContact O-N 2.9Å
106Y98.1Very high97.1Very high0 Ų019.6 Ų19.60%011%0.112CC..Hα-helixtrans-70.2-35.2-176.566.7-111.1000111.8F102 C103 A109 S110 N127 S129 L132 V146 D148F102-Y106 HydrophobicContact CD1-CD1 4.06Å; F102-Y106 AromaticContact CD1-CE1 3.65Å; F102-Y106 HydrophobicContact CD1-CE1 3.65Å; F102-Y106 HydrophobicContact CD2-CD1 4.31Å; F102-Y106 AromaticContact CE1-CD1 3.86Å; F102-Y106 HydrophobicContact CE1-CD1 3.86Å; F102-Y106 AromaticContact CE1-CE1 3.53Å; F102-Y106 HydrophobicContact CE1-CE1 3.53Å; F102-Y106 HydrophobicContact CE2-CD1 4.12Å; F102-Y106 HydrophobicContact CG-CD1 4.28Å; F102-Y106 HydrophobicContact CG-CE1 4.25Å; F102-Y106 AromaticContact CZ-CD1 3.89Å; F102-Y106 HydrophobicContact CZ-CD1 3.89Å; F102-Y106 HydrophobicContact CZ-CE1 4.05Å; F102-Y106 WeakPolarHBondContact O-CD1 3.35Å; F102-Y106 PolarHBondContact O-N 2.87Å; C103-Y106 HydrophobicContact CB-CE1 4.23Å; C103-Y106 PolarHBondContact SG-OH 2.82Å; C103-Y106 VanDerWaalsContact SG-OH 3.34Å; Y106-A109 PolarHBondContact O-N 2.72Å; Y106-S110 PolarHBondContact O-N 3.02Å; Y106-S110 VanDerWaalsContact O-N 3.07Å; Y106-S110 PolarHBondContact O-OG 3.22Å; Y106-N127 PolarHBondContact O-ND2 3.49Å; Y106-N127 VanDerWaalsContact O-ND2 3.09Å; Y106-S129 WeakPolarHBondContact CB-O 3.33Å; Y106-S129 WeakPolarHBondContact CB-OG 3.21Å; Y106-L132 HydrophobicContact CD1-CD2 4.3Å; Y106-L132 HydrophobicContact CD2-CD2 3.7Å; Y106-L132 HydrophobicContact CD2-CG 4.44Å; Y106-L132 HydrophobicContact CE1-CD2 4.32Å; Y106-L132 HydrophobicContact CE1-CG 4.38Å; Y106-L132 HydrophobicContact CE2-CB 4.34Å; Y106-L132 HydrophobicContact CE2-CD2 3.79Å; Y106-L132 HydrophobicContact CE2-CG 4.03Å; Y106-L132 HydrophobicContact CG-CD2 4.02Å; Y106-V146 HydrophobicContact CE2-CB 4.15Å; Y106-V146 HydrophobicContact CE2-CG1 4.49Å; Y106-V146 WeakPolarHBondContact CE2-O 3.39Å; Y106-V146 WeakPolarHBondContact OH-CB 3.48Å; Y106-V146 PolarHBondContact OH-N 2.84Å; Y106-V146 PolarHBondContact OH-O 2.81Å; Y106-D148 HydrophobicContact CD2-CB 3.77Å; Y106-D148 HydrophobicContact CE2-CB 3.99Å
107A98.6Very high97.4Very high0 Ų019.1 Ų19.10%011%0.11CC..Hα-helixtrans-67.3-38.7175.600000111.6A52 C103 K105 S110 L111 V146 D148 I151A52-A107 HydrophobicContact CB-CB 3.97Å; C103-A107 WeakPolarHBondContact O-CB 3.41Å; C103-A107 PolarHBondContact O-N 3.31Å; C103-A107 VanDerWaalsContact O-N 3.08Å; K105-A107 PolarHBondContact O-N 3.12Å; A107-S110 PolarHBondContact O-N 2.88Å; A107-L111 VanDerWaalsContact O-CB 3.28Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 PolarHBondContact O-N 3.37Å; A107-V146 HydrophobicContact CB-CG1 3.98Å; A107-D148 HydrophobicContact CB-CB 4.2Å; A107-I151 HydrophobicContact CB-CD1 4.47Å
108G98.4Very high97.7Very high4 Ų413.3 Ų13.34%0.0418%0.079CC..Hα-helixtrans-63-41.7175.400000112.4A50 A104 K105 L111 A112A50-G108 CarbonylContact O-C 3.58Å; A50-G108 VanDerWaalsContact O-CA 3.27Å; A50-G108 WeakPolarHBondContact O-CA 3.4Å; A104-G108 WeakPolarHBondContact O-CA 3.41Å; A104-G108 PolarHBondContact O-N 3.46Å; K105-G108 PolarHBondContact O-N 3.48Å; G108-L111 PolarHBondContact O-N 3.41Å; G108-A112 WeakPolarHBondContact O-CB 3.22Å; G108-A112 PolarHBondContact O-N 2.84Å
109A98.4Very high97.9Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-63.7-45.8174.700000112.9H7 K105 Y106 L111 A112 A113 N127H7-A109 HydrophobicContact CB-CB 4.23Å; K105-A109 PolarHBondContact O-N 2.9Å; Y106-A109 PolarHBondContact O-N 2.72Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 2.82Å; A109-A112 PolarHBondContact O-N 3.38Å; A109-A113 VanDerWaalsContact O-CB 3.32Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 3.43Å; A109-N127 HydrophobicContact CB-CB 4.44Å; A109-N127 WeakPolarHBondContact CB-ND2 3.4Å
110S98.7Very high97.9Very high0 Ų021.8 Ų21.80%013%0.13CC..Hα-helixtrans-64.6-37.6175.8-660000112.1Y106 A107 A113 A114 N127 D148Y106-S110 PolarHBondContact O-N 3.02Å; Y106-S110 VanDerWaalsContact O-N 3.07Å; Y106-S110 PolarHBondContact O-OG 3.22Å; A107-S110 PolarHBondContact O-N 2.88Å; S110-A113 PolarHBondContact O-N 2.94Å; S110-A114 WeakPolarHBondContact O-CB 3.41Å; S110-A114 PolarHBondContact O-N 3.46Å; S110-N127 PolarHBondContact N-ND2 3.27Å; S110-N127 VanDerWaalsContact N-ND2 3.16Å; S110-N127 PolarHBondContact OG-ND2 3.27Å; S110-D148 WeakPolarHBondContact CB-OD2 3.07Å; S110-D148 PolarHBondContact OG-OD2 3.39Å
111L98.4Very high97.9Very high16 Ų1624.9 Ų24.98%0.08415%0.145CC..Hα-helixtrans-68-41.5176.7-176.962.4000112.2Q56 A107 G108 A109 A113 A114 S115 I151 E155Q56-L111 HydrophobicContact CB-CD2 3.89Å; Q56-L111 HydrophobicContact CG-CD2 3.68Å; Q56-L111 VanDerWaalsContact NE2-CD2 3.26Å; A107-L111 VanDerWaalsContact O-CB 3.28Å; A107-L111 WeakPolarHBondContact O-CB 3.37Å; A107-L111 PolarHBondContact O-N 3.37Å; G108-L111 PolarHBondContact O-N 3.41Å; A109-L111 VanDerWaalsContact C-N 3.33Å; A109-L111 PolarHBondContact O-N 2.82Å; L111-A113 VanDerWaalsContact C-N 3.34Å; L111-A114 PolarHBondContact O-N 2.93Å; L111-S115 WeakPolarHBondContact O-CB 3.49Å; L111-S115 PolarHBondContact O-N 3.41Å; L111-I151 HydrophobicContact CD1-CG2 4.18Å; L111-E155 HydrophobicContact CD1-CB 3.58Å; L111-E155 HydrophobicContact CD1-CG 3.78Å
112A98.2Very high97.9Very high30 Ų3021.9 Ų21.925%0.24813%0.129CC..Hα-helixtrans-62.4-43.5174.100000111.1G108 A109 S115 V116G108-A112 WeakPolarHBondContact O-CB 3.22Å; G108-A112 PolarHBondContact O-N 2.84Å; A109-A112 PolarHBondContact O-N 3.38Å; A112-S115 WeakPolarHBondContact O-CB 3.33Å; A112-S115 PolarHBondContact O-N 3.07Å; A112-S115 VanDerWaalsContact O-N 3.14Å; A112-V116 PolarHBondContact O-N 3.16Å
113A98.7Very high98Very high0 Ų025.1 Ų25.10%015%0.147CC..Hα-helixtrans-59.5-45.6175.600000112.3H7 A109 S110 L111 S115 V116 L117 A125 L290H7-A113 HydrophobicContact CB-CB 4.47Å; A109-A113 VanDerWaalsContact O-CB 3.32Å; A109-A113 WeakPolarHBondContact O-CB 3.49Å; A109-A113 PolarHBondContact O-N 3.43Å; S110-A113 PolarHBondContact O-N 2.94Å; L111-A113 VanDerWaalsContact C-N 3.34Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 3.43Å; A113-V116 WeakPolarHBondContact O-CG2 3.27Å; A113-V116 PolarHBondContact O-N 3.37Å; A113-L117 WeakPolarHBondContact O-CG 3.43Å; A113-L117 PolarHBondContact O-N 3.12Å; A113-A125 HydrophobicContact CB-CB 3.76Å; A113-L290 HydrophobicContact CB-CD1 3.51Å
114A98.6Very high98Very high0 Ų025.4 Ų25.40%015%0.148CC..Hα-helixtrans-61.6-38.9172.600000113S110 L111 L117 N118 A152 E155 I156S110-A114 WeakPolarHBondContact O-CB 3.41Å; S110-A114 PolarHBondContact O-N 3.46Å; L111-A114 PolarHBondContact O-N 2.93Å; A114-L117 PolarHBondContact O-N 3.42Å; A114-N118 PolarHBondContact O-N 2.64Å; A114-A152 HydrophobicContact CB-CB 4Å; A114-A152 WeakPolarHBondContact CB-O 3.44Å; A114-E155 HydrophobicContact CB-CB 3.83Å; A114-E155 HydrophobicContact CB-CG 3.79Å; A114-I156 HydrophobicContact CB-CD1 4.28Å; A114-I156 HydrophobicContact CB-CG1 3.72Å
115S97.7Very high98.1Very high31 Ų3125.2 Ų25.222%0.21715%0.147CC..Hα-helixtrans-65.7-41.5179.9-167.20000112.4L111 A112 A113 N118 K119L111-S115 WeakPolarHBondContact O-CB 3.49Å; L111-S115 PolarHBondContact O-N 3.41Å; A112-S115 WeakPolarHBondContact O-CB 3.33Å; A112-S115 PolarHBondContact O-N 3.07Å; A112-S115 VanDerWaalsContact O-N 3.14Å; A113-S115 VanDerWaalsContact C-N 3.32Å; A113-S115 PolarHBondContact O-N 3.43Å; S115-N118 PolarHBondContact O-N 3.22Å; S115-K119 VanDerWaalsContact O-CG 3.29Å; S115-K119 WeakPolarHBondContact O-CG 3.41Å; S115-K119 PolarHBondContact O-N 3.24Å; S115-K119 VanDerWaalsContact O-N 3.16Å; S115-K119 WeakPolarHBondContact OG-CE 3.41Å
116V97.7Very high98.1Very high10 Ų1023.3 Ų23.36%0.06114%0.139CC..Hα-helixtrans-69.5-34.7178.3-620000112H7 A112 A113 K119 G120 E121 C122 A125H7-V116 WeakPolarHBondContact NE2-CG2 3.49Å; A112-V116 PolarHBondContact O-N 3.16Å; A113-V116 WeakPolarHBondContact O-CG2 3.27Å; A113-V116 PolarHBondContact O-N 3.37Å; V116-K119 PolarHBondContact O-N 2.84Å; V116-G120 PolarHBondContact O-N 3.49Å; V116-E121 HydrophobicContact CB-CB 4.22Å; V116-E121 WeakPolarHBondContact CG1-OE2 3.29Å; V116-E121 PolarHBondContact O-N 3.38Å; V116-C122 VanDerWaalsContact CG2-SG 3.6Å; V116-A125 HydrophobicContact CG2-CB 4.23Å
117L98Very high98.1Very high8 Ų823.3 Ų23.34%0.04214%0.139CC..Hα-helixtrans-60.8-48.4170.7-73.3169.9000111.4A113 A114 K119 G120 A125 P288 L290A113-L117 WeakPolarHBondContact O-CG 3.43Å; A113-L117 PolarHBondContact O-N 3.12Å; A114-L117 PolarHBondContact O-N 3.42Å; L117-K119 PolarHBondContact O-N 3.22Å; L117-G120 PolarHBondContact O-N 2.87Å; L117-A125 HydrophobicContact CD1-CB 3.99Å; L117-A125 HydrophobicContact CD2-CB 4.26Å; L117-A125 HydrophobicContact CG-CB 3.87Å; L117-P288 HydrophobicContact CD2-CB 4.42Å; L117-L290 HydrophobicContact CD1-CB 3.73Å
118N97.9Very high98.1Very high25 Ų2523.4 Ų23.413%0.13414%0.139CC..Hα-helixtrans-60.1-29.9178-83.7-12.2000113.9A114 S115 G120 E155 I156 R159 H160A114-N118 PolarHBondContact O-N 2.64Å; S115-N118 PolarHBondContact O-N 3.22Å; N118-G120 VanDerWaalsContact C-N 3.32Å; N118-E155 PolarHBondContact ND2-O 3.2Å; N118-I156 WeakPolarHBondContact OD1-CA 3.09Å; N118-I156 PolarHBondContact OD1-O 2.97Å; N118-R159 HydrophobicContact CB-CB 4.17Å; N118-R159 WeakPolarHBondContact OD1-CB 3.43Å; N118-H160 PolarHBondContact OD1-CD2 3.5Å
119K97.2Very high98.1Very high128 Ų12823.5 Ų23.556%0.55714%0.139SC*.Hα-helixtrans-82.9-9.8176.9-66.8172.3-163.8168.60112.9S115 V116 L117 E121S115-K119 VanDerWaalsContact O-CG 3.29Å; S115-K119 WeakPolarHBondContact O-CG 3.41Å; S115-K119 PolarHBondContact O-N 3.24Å; S115-K119 VanDerWaalsContact O-N 3.16Å; S115-K119 WeakPolarHBondContact OG-CE 3.41Å; V116-K119 PolarHBondContact O-N 2.84Å; L117-K119 PolarHBondContact O-N 3.22Å; K119-E121 VanDerWaalsContact C-N 3.27Å; K119-E121 HydrophobicContact CB-CG 3.87Å; K119-E121 WeakPolarHBondContact CD-OE1 3.32Å
120G96.5Very high98.1Very high63 Ų6323.5 Ų23.565%0.64914%0.139SC*.THydrogen-bonded Turntrans6826.8-17400000113.1V116 L117 N118V116-G120 PolarHBondContact O-N 3.49Å; L117-G120 PolarHBondContact O-N 2.87Å; N118-G120 VanDerWaalsContact C-N 3.32Å
121E96.9Very high98.1Very high88 Ų8823.5 Ų23.541%0.41114%0.139SC..SBendtrans-78.1-24.7177.7-70173.3-165.800111.5V116 K119V116-E121 HydrophobicContact CB-CB 4.22Å; V116-E121 WeakPolarHBondContact CG1-OE2 3.29Å; V116-E121 PolarHBondContact O-N 3.38Å; K119-E121 VanDerWaalsContact C-N 3.27Å; K119-E121 HydrophobicContact CB-CG 3.87Å; K119-E121 WeakPolarHBondContact CD-OE1 3.32Å
122C97.5Very high98.1Very high7 Ų723 Ų235%0.04714%0.137CC..  trans-141.6156.3173.463.90000111.7T3 S5 V116T3-C122 WeakPolarHBondContact OG1-CA 3.2Å; S5-C122 PolarHBondContact OG-SG 3.46Å; V116-C122 VanDerWaalsContact CG2-SG 3.6Å
123D98.4Very high98.1Very high73 Ų7321.8 Ų21.839%0.3913%0.126SC..SBendtrans-84.1-32.7169.1-60.7-59.4000111.3P2 T3 P288 M289P2-D123 WeakPolarHBondContact CA-OD2 3.34Å; P2-D123 HydrophobicContact CB-CB 3.69Å; T3-D123 PolarHBondContact N-OD2 3.25Å; T3-D123 PolarHBondContact O-N 3.13Å; T3-D123 PolarHBondContact OG1-N 3.37Å; T3-D123 PolarHBondContact OG1-OD2 3.44Å; D123-P288 CarbonylContact O-C 3.59Å; D123-P288 VanDerWaalsContact O-CA 3.23Å; D123-P288 WeakPolarHBondContact O-CA 3.18Å; D123-M289 PolarHBondContact O-N 3.15Å
124I98.8Very high98.1Very high6 Ų622 Ų223%0.03113%0.127CC..EExtended strand (participates in β ladder)trans-131.2126.9-177.3-53.4-177.4000108.8P2 T3 I4 S5 I126 K283 M289 V291 L313P2-I124 HydrophobicContact CB-CD1 3.97Å; P2-I124 HydrophobicContact CB-CG1 4.14Å; P2-I124 HydrophobicContact CG-CD1 3.87Å; T3-I124 PolarHBondContact O-N 3.4Å; T3-I124 VanDerWaalsContact O-N 3.08Å; I4-I124 CarbonylContact C-O 3.55Å; I4-I124 VanDerWaalsContact CA-O 3.24Å; I4-I124 WeakPolarHBondContact CA-O 3.28Å; I4-I124 HydrophobicContact CD1-CD1 4.38Å; I4-I124 HydrophobicContact CG1-CB 4.15Å; I4-I124 HydrophobicContact CG1-CD1 4.49Å; I4-I124 HydrophobicContact CG2-CB 4.26Å; I4-I124 HydrophobicContact CG2-CG2 4.26Å; S5-I124 PolarHBondContact N-O 2.63Å; I124-I126 HydrophobicContact CG2-CG1 4.28Å; I124-K283 HydrophobicContact CD1-CG 4Å; I124-M289 CarbonylContact C-O 3.56Å; I124-M289 VanDerWaalsContact CA-O 3.31Å; I124-M289 WeakPolarHBondContact CA-O 3.4Å; I124-M289 HydrophobicContact CB-CG 4.19Å; I124-M289 HydrophobicContact CD1-CG 4.42Å; I124-M289 HydrophobicContact CD1-SD 4.11Å; I124-M289 HydrophobicContact CG1-CG 3.91Å; I124-M289 HydrophobicContact CG1-SD 4.24Å; I124-M289 HydrophobicContact CG2-CG 3.78Å; I124-M289 HydrophobicContact CG2-SD 4.33Å; I124-V291 HydrophobicContact CG2-CG2 4.08Å; I124-L313 HydrophobicContact CD1-CD2 4.09Å; I124-L313 HydrophobicContact CG2-CD1 4.45Å; I124-L313 HydrophobicContact CG2-CD2 4.18Å
125A98.8Very high98.1Very high0 Ų022 Ų220%013%0.127CC..EExtended strand (participates in β ladder)trans-116.7133.9173.200000110.3S5 A113 V116 L117 M289 L290 V291S5-A125 WeakPolarHBondContact OG-CA 3.26Å; S5-A125 VanDerWaalsContact OG-CB 3.29Å; S5-A125 WeakPolarHBondContact OG-CB 3.4Å; A113-A125 HydrophobicContact CB-CB 3.76Å; V116-A125 HydrophobicContact CG2-CB 4.23Å; L117-A125 HydrophobicContact CD1-CB 3.99Å; L117-A125 HydrophobicContact CD2-CB 4.26Å; L117-A125 HydrophobicContact CG-CB 3.87Å; A125-M289 PolarHBondContact N-O 2.79Å; A125-L290 HydrophobicContact CB-CD1 4.33Å; A125-L290 CarbonylContact O-C 3.55Å; A125-L290 WeakPolarHBondContact O-CA 3.19Å; A125-L290 WeakPolarHBondContact O-CD1 3.24Å; A125-V291 PolarHBondContact O-N 2.74Å
126I98.8Very high98.1Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans-115.8129-174.9-57173.9000110.5I4 S5 Y6 H7 M44 I124 W128 V291 T310 L313I4-I126 HydrophobicContact CG2-CD1 3.68Å; I4-I126 HydrophobicContact CG2-CG1 4.1Å; S5-I126 PolarHBondContact O-N 2.95Å; Y6-I126 HydrophobicContact CD2-CB 4.11Å; Y6-I126 HydrophobicContact CD2-CG2 3.98Å; Y6-I126 HydrophobicContact CE2-CG2 4.44Å; H7-I126 PolarHBondContact N-O 3.05Å; M44-I126 HydrophobicContact SD-CD1 3.94Å; I124-I126 HydrophobicContact CG2-CG1 4.28Å; I126-W128 HydrophobicContact CG2-CD2 3.77Å; I126-W128 HydrophobicContact CG2-CE3 4.5Å; I126-W128 HydrophobicContact CG2-CG 4.04Å; I126-W128 HydrophobicContact CG2-CH2 4.44Å; I126-W128 HydrophobicContact CG2-CZ2 3.7Å; I126-V291 CarbonylContact C-O 3.57Å; I126-V291 WeakPolarHBondContact CA-O 3.35Å; I126-V291 HydrophobicContact CG1-CB 4.36Å; I126-T310 HydrophobicContact CD1-CG2 4.35Å; I126-L313 HydrophobicContact CD1-CB 4.47Å; I126-L313 HydrophobicContact CD1-CD1 3.5Å; I126-L313 VanDerWaalsContact CD1-CD1 3.5Å; I126-L313 HydrophobicContact CG1-CD1 3.91Å
127N98.7Very high98.1Very high1 Ų122.9 Ų22.91%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-134.692.6165.6176.923.5000111.9H7 Y106 A109 S110 S129 G130 V291 V292 G293H7-N127 HydrophobicContact CB-CB 4.45Å; H7-N127 PolarHBondContact O-OD1 3.48Å; Y106-N127 PolarHBondContact O-ND2 3.49Å; Y106-N127 VanDerWaalsContact O-ND2 3.09Å; A109-N127 HydrophobicContact CB-CB 4.44Å; A109-N127 WeakPolarHBondContact CB-ND2 3.4Å; S110-N127 PolarHBondContact N-ND2 3.27Å; S110-N127 VanDerWaalsContact N-ND2 3.16Å; S110-N127 PolarHBondContact OG-ND2 3.27Å; N127-S129 PolarHBondContact O-N 3.42Å; N127-S129 PolarHBondContact OD1-N 3.48Å; N127-S129 PolarHBondContact OD1-OG 3.05Å; N127-G130 PolarHBondContact ND2-N 3.35Å; N127-G130 PolarHBondContact O-N 3.24Å; N127-V291 PolarHBondContact N-O 2.69Å; N127-V292 VanDerWaalsContact O-CA 3.31Å; N127-V292 WeakPolarHBondContact O-CA 3.43Å; N127-G293 PolarHBondContact O-N 2.65Å
128W98.5Very high98.1Very high2 Ų223.8 Ų23.81%0.00813%0.133CC..THydrogen-bonded Turntrans-66.5-14.1178-63.3131.4000114.9Y6 T31 I126 C255 V291 W306 E309 T310Y6-W128 AromaticContact CE2-CD1 3.63Å; Y6-W128 HydrophobicContact CE2-CG 4.49Å; T31-W128 HydrophobicContact CG2-CG 4.2Å; I126-W128 HydrophobicContact CG2-CD2 3.77Å; I126-W128 HydrophobicContact CG2-CE3 4.5Å; I126-W128 HydrophobicContact CG2-CG 4.04Å; I126-W128 HydrophobicContact CG2-CH2 4.44Å; I126-W128 HydrophobicContact CG2-CZ2 3.7Å; W128-C255 HydrophobicContact CZ3-CB 3.92Å; W128-V291 HydrophobicContact CH2-CG1 3.67Å; W128-V291 HydrophobicContact CZ3-CG1 3.82Å; W128-W306 HydrophobicContact CB-CD2 4.22Å; W128-W306 HydrophobicContact CB-CE3 3.68Å; W128-W306 HydrophobicContact CB-CZ3 4.03Å; W128-W306 HydrophobicContact CD2-CB 3.73Å; W128-W306 HydrophobicContact CD2-CD2 4.1Å; W128-W306 HydrophobicContact CD2-CE3 4.42Å; W128-W306 AromaticContact CD2-CG 3.81Å; W128-W306 HydrophobicContact CD2-CG 3.81Å; W128-W306 HydrophobicContact CE3-CB 3.9Å; W128-W306 AromaticContact CE3-CD1 3.6Å; W128-W306 AromaticContact CE3-CD2 3.75Å; W128-W306 HydrophobicContact CE3-CD2 3.75Å; W128-W306 HydrophobicContact CE3-CE3 4.4Å; W128-W306 AromaticContact CE3-CG 3.5Å; W128-W306 HydrophobicContact CE3-CG 3.5Å; W128-W306 VanDerWaalsContact CE3-CG 3.5Å; W128-W306 AromaticContact CE3-NE1 3.93Å; W128-W306 HydrophobicContact CG-CB 4.16Å; W128-W306 HydrophobicContact CG-CD2 4.31Å; W128-W306 HydrophobicContact CG-CE3 4.15Å; W128-W306 HydrophobicContact CG-CG 4.36Å; W128-W306 HydrophobicContact CH2-CB 4.39Å; W128-W306 HydrophobicContact CH2-CG 4.47Å; W128-W306 HydrophobicContact CZ2-CB 4.23Å; W128-W306 WeakPolarHBondContact CZ2-O 3.35Å; W128-W306 HydrophobicContact CZ3-CB 4.22Å; W128-W306 AromaticContact CZ3-CD1 3.56Å; W128-W306 HydrophobicContact CZ3-CD2 4.48Å; W128-W306 AromaticContact CZ3-CG 3.86Å; W128-W306 HydrophobicContact CZ3-CG 3.86Å; W128-W306 WeakPolarHBondContact O-CH2 3.26Å; W128-W306 WeakPolarHBondContact O-CZ3 3.39Å; W128-E309 HydrophobicContact CH2-CB 3.86Å; W128-E309 WeakPolarHBondContact CH2-OE2 3.41Å; W128-E309 HydrophobicContact CZ2-CB 4.22Å; W128-T310 VanDerWaalsContact CZ2-OG1 3.3Å; W128-T310 WeakPolarHBondContact CZ2-OG1 3.34Å; W128-T310 PolarHBondContact NE1-OG1 2.99Å
129S97.9Very high98Very high5 Ų524.2 Ų24.24%0.03514%0.135CC..THydrogen-bonded Turntrans-82.6-20.9176.971.50000114Y106 N127 L132Y106-S129 WeakPolarHBondContact CB-O 3.33Å; Y106-S129 WeakPolarHBondContact CB-OG 3.21Å; N127-S129 PolarHBondContact O-N 3.42Å; N127-S129 PolarHBondContact OD1-N 3.48Å; N127-S129 PolarHBondContact OD1-OG 3.05Å; S129-L132 WeakPolarHBondContact O-CD2 3.4Å
130G98.3Very high98.1Very high0 Ų018.1 Ų18.10%011%0.108CC..  trans-86-164.118000000113.2N127 L132 D148 G293 G294N127-G130 PolarHBondContact ND2-N 3.35Å; N127-G130 PolarHBondContact O-N 3.24Å; G130-L132 VanDerWaalsContact C-CD2 3.45Å; G130-D148 WeakPolarHBondContact CA-OD2 3.48Å; G130-G293 CarbonylContact O-C 3.57Å; G130-G293 VanDerWaalsContact O-C 3.25Å; G130-G293 WeakPolarHBondContact O-CA 3.47Å; G130-G293 PolarHBondContact O-N 2.75Å; G130-G294 PolarHBondContact O-N 3.41Å
131G98.7Very high98.1Very high1 Ų115.7 Ų15.71%0.018%0.081CC..  trans95.220.9179.400000114.4H133 D148 Q254G131-H133 VanDerWaalsContact C-N 3.27Å; G131-H133 PolarHBondContact O-N 2.64Å; G131-D148 PolarHBondContact N-OD1 3.32Å; G131-D148 PolarHBondContact N-OD2 2.95Å; G131-Q254 PolarHBondContact O-NE2 2.99Å
132L98.5Very high98.1Very high5 Ų512 Ų123%0.0267%0.066CC..  trans-81.872.1-173.1-67.3-53.6000110.5Y106 S129 G130 H134 C144 D148Y106-L132 HydrophobicContact CD1-CD2 4.3Å; Y106-L132 HydrophobicContact CD2-CD2 3.7Å; Y106-L132 HydrophobicContact CD2-CG 4.44Å; Y106-L132 HydrophobicContact CE1-CD2 4.32Å; Y106-L132 HydrophobicContact CE1-CG 4.38Å; Y106-L132 HydrophobicContact CE2-CB 4.34Å; Y106-L132 HydrophobicContact CE2-CD2 3.79Å; Y106-L132 HydrophobicContact CE2-CG 4.03Å; Y106-L132 HydrophobicContact CG-CD2 4.02Å; S129-L132 WeakPolarHBondContact O-CD2 3.4Å; G130-L132 VanDerWaalsContact C-CD2 3.45Å; L132-H134 PolarHBondContact O-N 3.2Å; L132-C144 VanDerWaalsContact CA-SG 3.52Å; L132-C144 HydrophobicContact CB-CB 3.87Å; L132-D148 PolarHBondContact N-OD1 3.22Å
133H98.7Very high98.1Very high4 Ų412.4 Ų12.42%0.0197%0.067CC..THydrogen-bonded Turntrans-74.4-13.6-163.664.7177000116.7G131 N147 I149 D167 D169 H171 G173 G175 V176G131-H133 VanDerWaalsContact C-N 3.27Å; G131-H133 PolarHBondContact O-N 2.64Å; H133-N147 PolarHBondContact O-ND2 3.33Å; H133-I149 HydrophobicContact CB-CD1 3.57Å; H133-D167 IonicContact CE1-OD2 3.9Å; H133-D167 IonicContact CG-OD2 3.06Å; H133-D167 IonicContact ND1-OD1 2.8Å; H133-D167 IonicContact ND1-OD2 3.15Å; H133-D167 PolarHBondContact ND1-OD2 3.2Å; H133-D169 VanDerWaalsContact CE1-CB 3.48Å; H133-D169 WeakPolarHBondContact CE1-CB 3.35Å; H133-D169 IonicContact CE1-OD1 3.66Å; H133-D169 IonicContact CE1-OD2 3.61Å; H133-D169 IonicContact NE2-OD1 2.69Å; H133-D169 IonicContact NE2-OD2 3.87Å; H133-H171 PolarHBondContact CE1-O 3.43Å; H133-G173 WeakPolarHBondContact ND1-CA 3.23Å; H133-G175 CarbonylContact O-C 3.57Å; H133-G175 WeakPolarHBondContact O-CA 3.42Å; H133-G175 PolarHBondContact O-N 2.81Å; H133-G175 VanDerWaalsContact O-N 3.08Å; H133-V176 HydrophobicContact CB-CG2 3.84Å; H133-V176 PolarHBondContact O-N 3.21Å
134H98.6Very high98.1Very high4 Ų49.1 Ų9.12%0.0195%0.05CC..THydrogen-bonded Turntrans-86.7-22.5-176.1-68.2-53.2000113.3L132 K136 S141 G142 C144 H171 H172 D174 F199L132-H134 PolarHBondContact O-N 3.2Å; H134-K136 WeakPolarHBondContact O-CD 3.18Å; H134-K136 WeakPolarHBondContact O-CE 3.22Å; H134-K136 PolarHBondContact O-N 2.81Å; H134-S141 WeakPolarHBondContact CB-O 3.5Å; H134-S141 WeakPolarHBondContact O-CB 3.49Å; H134-G142 PolarHBondContact CD2-O 3.49Å; H134-C144 HydrophobicContact CB-CB 3.99Å; H134-H171 AromaticContact NE2-CG 3.95Å; H134-H172 PolarHBondContact CE1-O 3.25Å; H134-D174 IonicContact CE1-OD1 3.27Å; H134-D174 IonicContact CG-OD1 3.14Å; H134-D174 IonicContact ND1-OD1 3.37Å; H134-D174 PolarHBondContact ND1-OD1 3.06Å; H134-F199 AromaticContact CD2-CE1 3.76Å; H134-F199 AromaticContact CE1-CE1 3.55Å; H134-F199 AromaticContact CG-CE1 3.88Å; H134-F199 AromaticContact ND1-CE1 3.74Å; H134-F199 AromaticContact NE2-CD1 3.97Å; H134-F199 AromaticContact NE2-CE1 3.49Å; H134-F199 WeakPolarHBondContact NE2-CE1 3.27Å
135A98.3Very high98.1Very high0 Ų08.9 Ų8.90%05%0.049CC..  trans-57.9129.8-176.100000110.6C144 Y145 N147A135-C144 HydrophobicContact CB-CB 3.72Å; A135-C144 VanDerWaalsContact N-CB 3.35Å; A135-Y145 WeakPolarHBondContact CB-O 3.35Å; A135-N147 HydrophobicContact CB-CB 3.89Å; A135-N147 PolarHBondContact O-ND2 3.2Å
136K97.7Very high98.1Very high11 Ų118.9 Ų8.95%0.0485%0.049CC..BIsolated β-bridgetrans-99169.4-177.4-53.8-60.4-175.8159.30110.4H61 H134 S138 M139 D174 E178H61-K136 PolarHBondContact CE1-O 3.4Å; H61-K136 PolarHBondContact ND1-O 3.32Å; H134-K136 WeakPolarHBondContact O-CD 3.18Å; H134-K136 WeakPolarHBondContact O-CE 3.22Å; H134-K136 PolarHBondContact O-N 2.81Å; K136-S138 PolarHBondContact O-N 3.35Å; K136-S138 VanDerWaalsContact O-N 3.08Å; K136-M139 HydrophobicContact CB-CG 3.57Å; K136-M139 HydrophobicContact CG-CG 3.94Å; K136-M139 HydrophobicContact CG-SD 4.5Å; K136-M139 PolarHBondContact N-O 2.66Å; K136-D174 WeakPolarHBondContact CE-OD2 3.41Å; K136-D174 VanDerWaalsContact NZ-C 3.28Å; K136-D174 VanDerWaalsContact NZ-CG 3.27Å; K136-D174 PolarHBondContact NZ-O 3.34Å; K136-D174 VanDerWaalsContact NZ-O 3.09Å; K136-D174 IonicContact NZ-OD1 2.65Å; K136-D174 IonicContact NZ-OD2 3.9Å; K136-D174 PolarHBondContact NZ-OD2 3.08Å; K136-E178 WeakPolarHBondContact CD-OE2 3.45Å; K136-E178 WeakPolarHBondContact CE-OE2 3.2Å; K136-E178 IonicContact NZ-OE2 3.71Å; K136-E178 PolarHBondContact NZ-OE2 3.01Å
137K97.3Very high98.1Very high49 Ų498.9 Ų8.921%0.2135%0.049CC..THydrogen-bonded Turntrans-51.7-37.6-177.6-176.4156.7-172.3159.30114.2F60 H61 S62F60-K137 HydrophobicContact CE2-CB 4.14Å; F60-K137 HydrophobicContact CZ-CB 4.1Å; F60-K137 WeakPolarHBondContact O-CE 3.1Å; F60-K137 WeakPolarHBondContact O-CG 3.43Å; H61-K137 CarbonylContact C-O 3.53Å; H61-K137 WeakPolarHBondContact CA-O 3.33Å; H61-K137 PolarHBondContact ND1-O 2.86Å; S62-K137 PolarHBondContact N-O 3Å
138S97.4Very high98.1Very high28 Ų288.8 Ų8.820%0.1965%0.049CC..THydrogen-bonded Turntrans-136.922.5-174.6-61.70000113.3S62 F87 K136S62-S138 VanDerWaalsContact CB-OG 3.23Å; S62-S138 WeakPolarHBondContact CB-OG 3.46Å; S62-S138 PolarHBondContact OG-OG 3.22Å; F87-S138 WeakPolarHBondContact CD1-O 3.42Å; K136-S138 PolarHBondContact O-N 3.35Å; K136-S138 VanDerWaalsContact O-N 3.08Å
139M97.3Very high98.1Very high33 Ų338.7 Ų8.716%0.1635%0.048CC..BIsolated β-bridgetrans-159.8150.7179.856.8-176.4-89.700111.5F87 N88 K136 R390F87-M139 WeakPolarHBondContact O-CA 3.45Å; N88-M139 HydrophobicContact CB-CB 3.84Å; N88-M139 HydrophobicContact CB-CE 3.68Å; N88-M139 HydrophobicContact CB-SD 4.48Å; K136-M139 HydrophobicContact CB-CG 3.57Å; K136-M139 HydrophobicContact CG-CG 3.94Å; K136-M139 HydrophobicContact CG-SD 4.5Å; K136-M139 PolarHBondContact N-O 2.66Å; M139-R390 PolarHBondContact SD-NH2 2.89Å
140A98Very high98.2Very high0 Ų08.5 Ų8.50%05%0.047CC..  trans-72.9156.7168.800000110.4Y65 F87 N88 I89 C93 C144 Y145Y65-A140 WeakPolarHBondContact OH-CA 3.36Å; Y65-A140 WeakPolarHBondContact OH-CB 3.25Å; Y65-A140 PolarHBondContact OH-N 3.06Å; F87-A140 PolarHBondContact O-N 2.8Å; N88-A140 WeakPolarHBondContact CB-O 3.32Å; N88-A140 PolarHBondContact ND2-O 3.38Å; I89-A140 HydrophobicContact CD1-CB 4.01Å; C93-A140 HydrophobicContact CB-CB 3.6Å; A140-C144 CarbonylContact C-O 3.59Å; A140-C144 VanDerWaalsContact CA-O 3.26Å; A140-C144 WeakPolarHBondContact CA-O 3.36Å; A140-C144 WeakPolarHBondContact CB-O 3.32Å; A140-Y145 HydrophobicContact CB-CD1 3.86Å; A140-Y145 HydrophobicContact CB-CE1 4.3Å; A140-Y145 HydrophobicContact CB-CG 4.39Å
141S97.9Very high98.2Very high13 Ų138.6 Ų8.69%0.0915%0.047CC..BIsolated β-bridgetrans-164.2146.3172.9-166.40000110H134 F143 C144H134-S141 WeakPolarHBondContact CB-O 3.5Å; H134-S141 WeakPolarHBondContact O-CB 3.49Å; S141-F143 VanDerWaalsContact C-N 3.34Å; S141-F143 PolarHBondContact O-N 3.15Å; S141-C144 PolarHBondContact N-O 3.29Å; S141-C144 WeakPolarHBondContact O-CA 3.46Å; S141-C144 VanDerWaalsContact O-CB 3.25Å; S141-C144 WeakPolarHBondContact O-CB 3.5Å; S141-C144 PolarHBondContact O-N 3.34Å
142G96.7Very high98.2Very high9 Ų98.6 Ų8.69%0.0935%0.047CC..THydrogen-bonded Turntrans5149.117200000113.7H134 C144H134-G142 PolarHBondContact CD2-O 3.49Å; G142-C144 PolarHBondContact O-N 3.39Å; G142-C144 PolarHBondContact O-SG 3.49Å
143F97.7Very high98.2Very high16 Ų168.3 Ų8.37%0.075%0.046CC..THydrogen-bonded Turntrans66.40.9-177.1-41.9-28.7000115.5Y17 H21 P22 M23 D92 S141 L265 Y297Y17-F143 HydrophobicContact CE1-CB 4.09Å; Y17-F143 WeakPolarHBondContact CE1-O 3.47Å; Y17-F143 PolarHBondContact OH-O 3.5Å; H21-F143 AromaticContact CE1-CD1 3.44Å; H21-F143 VanDerWaalsContact CE1-CD1 3.44Å; H21-F143 WeakPolarHBondContact CE1-CD1 3.45Å; H21-F143 AromaticContact CE1-CE1 3.74Å; H21-F143 AromaticContact CE1-CG 3.62Å; H21-F143 AromaticContact NE2-CD1 3.35Å; H21-F143 WeakPolarHBondContact NE2-CD1 3.41Å; H21-F143 AromaticContact NE2-CE1 3.5Å; H21-F143 WeakPolarHBondContact NE2-CE1 3.45Å; P22-F143 HydrophobicContact CG-CE1 4.25Å; P22-F143 HydrophobicContact CG-CE2 3.62Å; P22-F143 HydrophobicContact CG-CZ 3.4Å; P22-F143 VanDerWaalsContact CG-CZ 3.4Å; M23-F143 HydrophobicContact CB-CB 4.47Å; M23-F143 HydrophobicContact CB-CD2 4.31Å; M23-F143 HydrophobicContact CE-CB 4.33Å; M23-F143 HydrophobicContact CE-CD2 4.33Å; D92-F143 HydrophobicContact CB-CD1 3.83Å; D92-F143 HydrophobicContact CB-CE1 3.72Å; D92-F143 WeakPolarHBondContact O-CD1 3.18Å; S141-F143 VanDerWaalsContact C-N 3.34Å; S141-F143 PolarHBondContact O-N 3.15Å; F143-L265 HydrophobicContact CE2-CD1 3.66Å; F143-L265 HydrophobicContact CZ-CD1 3.84Å; F143-Y297 HydrophobicContact CD2-CD1 4.44Å; F143-Y297 AromaticContact CD2-CE1 3.46Å; F143-Y297 HydrophobicContact CD2-CE1 3.46Å; F143-Y297 VanDerWaalsContact CD2-CE1 3.46Å; F143-Y297 AromaticContact CD2-CZ 3.83Å; F143-Y297 HydrophobicContact CE2-CD1 4.11Å; F143-Y297 AromaticContact CE2-CE1 3.4Å; F143-Y297 HydrophobicContact CE2-CE1 3.4Å; F143-Y297 AromaticContact CE2-CZ 3.66Å
144C98.4Very high98.2Very high5 Ų59.6 Ų9.63%0.0345%0.052CC..BIsolated β-bridgetrans-103.3132.7-175.9-57.10000110.7L132 H134 A135 A140 S141 G142L132-C144 VanDerWaalsContact CA-SG 3.52Å; L132-C144 HydrophobicContact CB-CB 3.87Å; H134-C144 HydrophobicContact CB-CB 3.99Å; A135-C144 HydrophobicContact CB-CB 3.72Å; A135-C144 VanDerWaalsContact N-CB 3.35Å; A140-C144 CarbonylContact C-O 3.59Å; A140-C144 VanDerWaalsContact CA-O 3.26Å; A140-C144 WeakPolarHBondContact CA-O 3.36Å; A140-C144 WeakPolarHBondContact CB-O 3.32Å; S141-C144 PolarHBondContact N-O 3.29Å; S141-C144 WeakPolarHBondContact O-CA 3.46Å; S141-C144 VanDerWaalsContact O-CB 3.25Å; S141-C144 WeakPolarHBondContact O-CB 3.5Å; S141-C144 PolarHBondContact O-N 3.34Å; G142-C144 PolarHBondContact O-N 3.39Å; G142-C144 PolarHBondContact O-SG 3.49Å
145Y98.3Very high98.2Very high0 Ų010.9 Ų10.90%06%0.059CC..SBendtrans-109.9-47.7178.1-57.6-99.9000111.5Y17 Y65 L69 I89 C93 P94 F96 V99 C103 A135 A140Y17-Y145 AromaticContact CE1-CE2 3.61Å; Y17-Y145 HydrophobicContact CE1-CE2 3.61Å; Y17-Y145 AromaticContact CZ-CE2 3.7Å; Y17-Y145 WeakPolarHBondContact OH-CE2 3.06Å; Y65-Y145 VanDerWaalsContact CE1-O 3.22Å; Y65-Y145 WeakPolarHBondContact CE1-O 3.48Å; Y65-Y145 WeakPolarHBondContact OH-CA 3.36Å; Y65-Y145 PolarHBondContact OH-O 2.88Å; L69-Y145 HydrophobicContact CD2-CD1 3.98Å; I89-Y145 HydrophobicContact CD1-CD1 4.45Å; I89-Y145 HydrophobicContact CD1-CE1 4.26Å; C93-Y145 WeakPolarHBondContact CA-OH 3.43Å; C93-Y145 HydrophobicContact CB-CE1 3.98Å; P94-Y145 WeakPolarHBondContact CD-OH 3.33Å; P94-Y145 VanDerWaalsContact N-OH 3.16Å; P94-Y145 PolarHBondContact O-OH 2.89Å; F96-Y145 AromaticContact CE1-CE2 3.99Å; F96-Y145 HydrophobicContact CE1-CE2 3.99Å; V99-Y145 HydrophobicContact CG2-CD1 3.96Å; V99-Y145 HydrophobicContact CG2-CD2 4.22Å; V99-Y145 HydrophobicContact CG2-CE1 3.9Å; V99-Y145 HydrophobicContact CG2-CE2 4.19Å; V99-Y145 HydrophobicContact CG2-CG 4.13Å; C103-Y145 VanDerWaalsContact SG-CB 3.57Å; A135-Y145 WeakPolarHBondContact CB-O 3.35Å; A140-Y145 HydrophobicContact CB-CD1 3.86Å; A140-Y145 HydrophobicContact CB-CE1 4.3Å; A140-Y145 HydrophobicContact CB-CG 4.39Å
146V98.7Very high98.2Very high0 Ų010.9 Ų10.90%06%0.059CC..SBendtrans-115.1132.6175.9171.20000109.5M57 H61 I66 L69 C103 Y106 A107 D148 I151M57-V146 HydrophobicContact CG-CG1 4.22Å; M57-V146 HydrophobicContact SD-CG1 4.35Å; M57-V146 HydrophobicContact SD-CG2 3.99Å; H61-V146 WeakPolarHBondContact NE2-CA 3.41Å; I66-V146 HydrophobicContact CD1-CG2 3.98Å; L69-V146 HydrophobicContact CD1-CG2 4.15Å; C103-V146 HydrophobicContact CB-CB 4.11Å; C103-V146 HydrophobicContact CB-CG2 3.71Å; Y106-V146 HydrophobicContact CE2-CB 4.15Å; Y106-V146 HydrophobicContact CE2-CG1 4.49Å; Y106-V146 WeakPolarHBondContact CE2-O 3.39Å; Y106-V146 WeakPolarHBondContact OH-CB 3.48Å; Y106-V146 PolarHBondContact OH-N 2.84Å; Y106-V146 PolarHBondContact OH-O 2.81Å; A107-V146 HydrophobicContact CB-CG1 3.98Å; V146-D148 PolarHBondContact O-N 2.92Å; V146-I151 HydrophobicContact CG1-CD1 3.55Å
147N98.8Very high98.2Very high0 Ų010.8 Ų10.80%06%0.058CC..  trans-88.385.7179.1-159.4-47000109.4F60 H61 H133 A135 I149 V150 I151F60-N147 HydrophobicContact CD1-CB 3.96Å; F60-N147 HydrophobicContact CE1-CB 3.64Å; H61-N147 PolarHBondContact NE2-N 2.94Å; H133-N147 PolarHBondContact O-ND2 3.33Å; A135-N147 HydrophobicContact CB-CB 3.89Å; A135-N147 PolarHBondContact O-ND2 3.2Å; N147-I149 PolarHBondContact O-N 3.07Å; N147-I149 WeakPolarHBondContact OD1-CB 3.4Å; N147-I149 PolarHBondContact OD1-N 3.12Å; N147-V150 HydrophobicContact CB-CB 4.27Å; N147-V150 HydrophobicContact CB-CG2 4.19Å; N147-V150 VanDerWaalsContact CG-CG2 3.49Å; N147-V150 PolarHBondContact O-N 3.4Å; N147-V150 VanDerWaalsContact OD1-CG2 3.29Å; N147-V150 WeakPolarHBondContact OD1-CG2 3.4Å; N147-V150 PolarHBondContact OD1-N 2.95Å; N147-V150 VanDerWaalsContact OD1-N 3.11Å; N147-I151 WeakPolarHBondContact O-CG1 3.4Å; N147-I151 PolarHBondContact O-N 2.82Å
148D98.8Very high98.1Very high0 Ų015.4 Ų15.40%08%0.078CC..Hα-helixtrans-64.9-28.9-178.867.7-67.6000112.8Y106 A107 S110 G130 G131 L132 V146 I151 A152Y106-D148 HydrophobicContact CD2-CB 3.77Å; Y106-D148 HydrophobicContact CE2-CB 3.99Å; A107-D148 HydrophobicContact CB-CB 4.2Å; S110-D148 WeakPolarHBondContact CB-OD2 3.07Å; S110-D148 PolarHBondContact OG-OD2 3.39Å; G130-D148 WeakPolarHBondContact CA-OD2 3.48Å; G131-D148 PolarHBondContact N-OD1 3.32Å; G131-D148 PolarHBondContact N-OD2 2.95Å; L132-D148 PolarHBondContact N-OD1 3.22Å; V146-D148 PolarHBondContact O-N 2.92Å; D148-I151 PolarHBondContact O-N 2.92Å; D148-A152 WeakPolarHBondContact O-CB 3.36Å; D148-A152 PolarHBondContact O-N 2.95Å
149I98.9Very high98Very high0 Ų021.2 Ų21.20%010%0.096CC..Hα-helixtrans-62.7-47.3176.6-55171000110.1H133 N147 A152 T153 Y165 V176 V252 Q254 V292H133-I149 HydrophobicContact CB-CD1 3.57Å; N147-I149 PolarHBondContact O-N 3.07Å; N147-I149 WeakPolarHBondContact OD1-CB 3.4Å; N147-I149 PolarHBondContact OD1-N 3.12Å; I149-A152 PolarHBondContact O-N 3.44Å; I149-T153 WeakPolarHBondContact O-CB 3.29Å; I149-T153 PolarHBondContact O-N 3.29Å; I149-T153 PolarHBondContact O-OG1 3.29Å; I149-Y165 HydrophobicContact CD1-CE2 3.92Å; I149-Y165 HydrophobicContact CG2-CD2 3.74Å; I149-Y165 HydrophobicContact CG2-CE2 3.52Å; I149-V176 HydrophobicContact CB-CG2 3.95Å; I149-V176 HydrophobicContact CD1-CG2 3.79Å; I149-V176 HydrophobicContact CG1-CG2 4.5Å; I149-V176 HydrophobicContact CG2-CG1 4.08Å; I149-V176 HydrophobicContact CG2-CG2 3.86Å; I149-V252 HydrophobicContact CG2-CG1 3.95Å; I149-Q254 HydrophobicContact CD1-CB 4.49Å; I149-Q254 HydrophobicContact CD1-CG 3.98Å; I149-V292 HydrophobicContact CG1-CG2 4.27Å
150V98.8Very high97.9Very high0 Ų020.9 Ų20.90%09%0.094CC..Hα-helixtrans-65.4-44.4179175.50000110.6F60 N147 T153 L154 V176 A179 F180F60-V150 HydrophobicContact CB-CG1 3.87Å; F60-V150 HydrophobicContact CD1-CB 4.07Å; F60-V150 HydrophobicContact CD1-CG1 3.93Å; F60-V150 HydrophobicContact CD2-CB 4.44Å; F60-V150 HydrophobicContact CD2-CG1 3.48Å; F60-V150 VanDerWaalsContact CD2-CG1 3.48Å; F60-V150 HydrophobicContact CE1-CB 4.35Å; F60-V150 HydrophobicContact CE1-CG1 4.35Å; F60-V150 HydrophobicContact CE1-CG2 4.42Å; F60-V150 HydrophobicContact CE2-CG1 3.94Å; F60-V150 HydrophobicContact CG-CB 4.12Å; F60-V150 HydrophobicContact CG-CG1 3.47Å; F60-V150 VanDerWaalsContact CG-CG1 3.47Å; F60-V150 HydrophobicContact CZ-CG1 4.35Å; F60-V150 HydrophobicContact CZ-CG2 4.45Å; N147-V150 HydrophobicContact CB-CB 4.27Å; N147-V150 HydrophobicContact CB-CG2 4.19Å; N147-V150 VanDerWaalsContact CG-CG2 3.49Å; N147-V150 PolarHBondContact O-N 3.4Å; N147-V150 VanDerWaalsContact OD1-CG2 3.29Å; N147-V150 WeakPolarHBondContact OD1-CG2 3.4Å; N147-V150 PolarHBondContact OD1-N 2.95Å; N147-V150 VanDerWaalsContact OD1-N 3.11Å; V150-T153 PolarHBondContact O-N 3.35Å; V150-L154 HydrophobicContact CG1-CD1 4.16Å; V150-L154 HydrophobicContact CG1-CG 4.47Å; V150-L154 WeakPolarHBondContact O-CB 3.45Å; V150-L154 VanDerWaalsContact O-CG 3.29Å; V150-L154 WeakPolarHBondContact O-CG 3.3Å; V150-L154 PolarHBondContact O-N 3.37Å; V150-V176 HydrophobicContact CG2-CG1 4.42Å; V150-V176 HydrophobicContact CG2-CG2 4.37Å; V150-A179 HydrophobicContact CB-CB 4.35Å; V150-A179 HydrophobicContact CG1-CB 3.85Å; V150-A179 HydrophobicContact CG2-CB 3.49Å; V150-A179 VanDerWaalsContact CG2-CB 3.49Å; V150-F180 HydrophobicContact CB-CE2 4.27Å; V150-F180 HydrophobicContact CB-CZ 4.36Å; V150-F180 HydrophobicContact CG1-CE2 4.13Å; V150-F180 HydrophobicContact CG1-CZ 3.83Å; V150-F180 HydrophobicContact CG2-CE2 3.91Å; V150-F180 HydrophobicContact CG2-CZ 4.45Å
151I98.8Very high97.8Very high3 Ų321.2 Ų21.22%0.01510%0.096CC..Hα-helixtrans-60.5-47.5177.6-66.9164.2000110.9M57 F60 A107 L111 V146 N147 D148 L154 E155M57-I151 HydrophobicContact CB-CD1 4.49Å; M57-I151 HydrophobicContact CG-CD1 4.36Å; F60-I151 HydrophobicContact CB-CG1 4.15Å; A107-I151 HydrophobicContact CB-CD1 4.47Å; L111-I151 HydrophobicContact CD1-CG2 4.18Å; V146-I151 HydrophobicContact CG1-CD1 3.55Å; N147-I151 WeakPolarHBondContact O-CG1 3.4Å; N147-I151 PolarHBondContact O-N 2.82Å; D148-I151 PolarHBondContact O-N 2.92Å; I151-L154 PolarHBondContact O-N 3.48Å; I151-E155 PolarHBondContact O-N 3.02Å; I151-E155 VanDerWaalsContact O-N 3.12Å
152A98.8Very high97.8Very high0 Ų021.6 Ų21.60%010%0.096CC..Hα-helixtrans-65.1-40.5177.600000111.8A114 D148 I149 L154 E155 I156 L290A114-A152 HydrophobicContact CB-CB 4Å; A114-A152 WeakPolarHBondContact CB-O 3.44Å; D148-A152 WeakPolarHBondContact O-CB 3.36Å; D148-A152 PolarHBondContact O-N 2.95Å; I149-A152 PolarHBondContact O-N 3.44Å; A152-L154 PolarHBondContact O-N 3.45Å; A152-E155 WeakPolarHBondContact O-CA 3.31Å; A152-E155 WeakPolarHBondContact O-CB 3.49Å; A152-E155 PolarHBondContact O-N 3.22Å; A152-E155 VanDerWaalsContact O-N 3.12Å; A152-I156 WeakPolarHBondContact O-CG1 3.41Å; A152-I156 PolarHBondContact O-N 2.91Å; A152-L290 HydrophobicContact CB-CD2 3.64Å
153T98.8Very high97.9Very high0 Ų021.2 Ų21.20%09%0.092CC..Hα-helixtrans-63.9-40.6176.8-60.60000111.5I149 V150 E155 I156 L157 V163 F180 V186I149-T153 WeakPolarHBondContact O-CB 3.29Å; I149-T153 PolarHBondContact O-N 3.29Å; I149-T153 PolarHBondContact O-OG1 3.29Å; V150-T153 PolarHBondContact O-N 3.35Å; T153-E155 VanDerWaalsContact C-N 3.27Å; T153-E155 PolarHBondContact O-N 2.95Å; T153-I156 PolarHBondContact O-N 2.69Å; T153-L157 HydrophobicContact CG2-CD1 4.06Å; T153-L157 HydrophobicContact CG2-CG 4.38Å; T153-L157 WeakPolarHBondContact O-CB 3.41Å; T153-L157 VanDerWaalsContact O-CG 3.23Å; T153-L157 WeakPolarHBondContact O-CG 3.48Å; T153-L157 PolarHBondContact O-N 3.32Å; T153-V163 HydrophobicContact CG2-CB 4.18Å; T153-V163 HydrophobicContact CG2-CG1 4Å; T153-V163 HydrophobicContact CG2-CG2 4.41Å; T153-F180 HydrophobicContact CG2-CE1 4.22Å; T153-F180 HydrophobicContact CG2-CE2 3.77Å; T153-F180 HydrophobicContact CG2-CZ 3.48Å; T153-F180 VanDerWaalsContact CG2-CZ 3.48Å; T153-V186 HydrophobicContact CG2-CG1 4.28Å; T153-V186 HydrophobicContact CG2-CG2 3.69Å
154L98.4Very high97.9Very high30 Ų3020.4 Ų20.416%0.1579%0.088CC..Hα-helixtrans-61.7-35.3173.1-72.9171.1000112.4F60 V150 I151 A152 F180 V382 L384F60-L154 HydrophobicContact CB-CD1 4.21Å; V150-L154 HydrophobicContact CG1-CD1 4.16Å; V150-L154 HydrophobicContact CG1-CG 4.47Å; V150-L154 WeakPolarHBondContact O-CB 3.45Å; V150-L154 VanDerWaalsContact O-CG 3.29Å; V150-L154 WeakPolarHBondContact O-CG 3.3Å; V150-L154 PolarHBondContact O-N 3.37Å; I151-L154 PolarHBondContact O-N 3.48Å; A152-L154 PolarHBondContact O-N 3.45Å; L154-F180 HydrophobicContact CD2-CE1 4.25Å; L154-V382 HydrophobicContact CD2-CB 4.31Å; L154-L384 HydrophobicContact CD1-CD1 4.07Å; L154-L384 HydrophobicContact CD2-CD1 4.35Å; L154-L384 HydrophobicContact CD2-CD2 4.21Å
155E98.1Very high97.9Very high32 Ų3220.2 Ų20.215%0.159%0.087CC..Hα-helixtrans-64.8-51.3171-178.463.5-148.800110.7L111 A114 N118 I151 A152 T153 L157 K158L111-E155 HydrophobicContact CD1-CB 3.58Å; L111-E155 HydrophobicContact CD1-CG 3.78Å; A114-E155 HydrophobicContact CB-CB 3.83Å; A114-E155 HydrophobicContact CB-CG 3.79Å; N118-E155 PolarHBondContact ND2-O 3.2Å; I151-E155 PolarHBondContact O-N 3.02Å; I151-E155 VanDerWaalsContact O-N 3.12Å; A152-E155 WeakPolarHBondContact O-CA 3.31Å; A152-E155 WeakPolarHBondContact O-CB 3.49Å; A152-E155 PolarHBondContact O-N 3.22Å; A152-E155 VanDerWaalsContact O-N 3.12Å; T153-E155 VanDerWaalsContact C-N 3.27Å; T153-E155 PolarHBondContact O-N 2.95Å; E155-L157 PolarHBondContact O-N 2.84Å; E155-K158 VanDerWaalsContact O-CB 3.23Å; E155-K158 WeakPolarHBondContact O-CB 3.5Å; E155-K158 WeakPolarHBondContact O-CG 3.37Å; E155-K158 PolarHBondContact O-N 3.24Å; E155-K158 IonicContact OE1-NZ 3.24Å; E155-K158 WeakPolarHBondContact OE2-CE 3.4Å; E155-K158 IonicContact OE2-NZ 3.82Å; E155-K158 PolarHBondContact OE2-NZ 3.43Å
156I98.5Very high98Very high0 Ų020.2 Ų20.20%09%0.087CC..Hα-helixtrans-55.1-40.4178.8-64.8169.1000111.4A114 N118 A152 T153 K158 R159 H160 V163 C250 V252 L290A114-I156 HydrophobicContact CB-CD1 4.28Å; A114-I156 HydrophobicContact CB-CG1 3.72Å; N118-I156 WeakPolarHBondContact OD1-CA 3.09Å; N118-I156 PolarHBondContact OD1-O 2.97Å; A152-I156 WeakPolarHBondContact O-CG1 3.41Å; A152-I156 PolarHBondContact O-N 2.91Å; T153-I156 PolarHBondContact O-N 2.69Å; I156-K158 PolarHBondContact O-N 3.22Å; I156-R159 PolarHBondContact O-N 3.17Å; I156-H160 HydrophobicContact CG2-CB 3.98Å; I156-H160 PolarHBondContact O-N 3.11Å; I156-V163 HydrophobicContact CB-CG2 4.22Å; I156-V163 HydrophobicContact CG2-CG2 3.51Å; I156-C250 HydrophobicContact CG2-CB 3.65Å; I156-V252 HydrophobicContact CD1-CG2 3.72Å; I156-L290 HydrophobicContact CD1-CB 4.35Å; I156-L290 HydrophobicContact CD1-CD2 4.32Å
157L97Very high98Very high9 Ų920.2 Ų20.25%0.0479%0.087CC..THydrogen-bonded Turntrans-65.6-8.2179.3-72.2169.4000114.7T153 E155 R159 H160 V163 F180 R185 V186 V382T153-L157 HydrophobicContact CG2-CD1 4.06Å; T153-L157 HydrophobicContact CG2-CG 4.38Å; T153-L157 WeakPolarHBondContact O-CB 3.41Å; T153-L157 VanDerWaalsContact O-CG 3.23Å; T153-L157 WeakPolarHBondContact O-CG 3.48Å; T153-L157 PolarHBondContact O-N 3.32Å; E155-L157 PolarHBondContact O-N 2.84Å; L157-R159 VanDerWaalsContact C-N 3.27Å; L157-H160 WeakPolarHBondContact CA-O 3.14Å; L157-V163 HydrophobicContact CD2-CB 4.48Å; L157-V163 HydrophobicContact CD2-CG2 3.74Å; L157-V163 HydrophobicContact CG-CG2 4.04Å; L157-F180 HydrophobicContact CD1-CE1 4.34Å; L157-R185 HydrophobicContact CD2-CB 4.03Å; L157-R185 PolarHBondContact O-NH2 2.83Å; L157-V186 HydrophobicContact CD1-CG2 3.58Å; L157-V186 HydrophobicContact CD2-CG2 4.31Å; L157-V186 HydrophobicContact CG-CG2 4.38Å; L157-V382 HydrophobicContact CB-CG2 4.42Å; L157-V382 HydrophobicContact CD1-CG1 4.4Å; L157-V382 HydrophobicContact CD1-CG2 3.69Å
158K96.2Very high98Very high145 Ų14520.2 Ų20.263%0.639%0.087SC*.THydrogen-bonded Turntrans-70.7-24169.5-63.9175.5-179173.70112.3E155 I156E155-K158 VanDerWaalsContact O-CB 3.23Å; E155-K158 WeakPolarHBondContact O-CB 3.5Å; E155-K158 WeakPolarHBondContact O-CG 3.37Å; E155-K158 PolarHBondContact O-N 3.24Å; E155-K158 IonicContact OE1-NZ 3.24Å; E155-K158 WeakPolarHBondContact OE2-CE 3.4Å; E155-K158 IonicContact OE2-NZ 3.82Å; E155-K158 PolarHBondContact OE2-NZ 3.43Å; I156-K158 PolarHBondContact O-N 3.22Å
159R95.8Very high98Very high150 Ų15020.2 Ų20.257%0.5669%0.087SC*.THydrogen-bonded Turntrans-121.1-32.5-178.7-172.259.1178.4140.40.2114.1N118 I156 L157 L377N118-R159 HydrophobicContact CB-CB 4.17Å; N118-R159 WeakPolarHBondContact OD1-CB 3.43Å; I156-R159 PolarHBondContact O-N 3.17Å; L157-R159 VanDerWaalsContact C-N 3.27Å; R159-L377 WeakPolarHBondContact O-CD2 3.46Å
160H95.2Very high98Very high26 Ų2620.2 Ų20.212%0.129%0.087CC..  trans-103.1135.6-179.5-60.3-92.7000110.5N118 I156 L157 R185 E249 C250N118-H160 PolarHBondContact OD1-CD2 3.5Å; I156-H160 HydrophobicContact CG2-CB 3.98Å; I156-H160 PolarHBondContact O-N 3.11Å; L157-H160 WeakPolarHBondContact CA-O 3.14Å; H160-R185 PolarHBondContact O-NH2 3.33Å; H160-E249 WeakPolarHBondContact CA-OE2 3.45Å; H160-E249 HydrophobicContact CB-CB 4.01Å; H160-E249 PolarHBondContact ND1-O 2.9Å; H160-C250 HydrophobicContact CB-CB 4.37Å
161S95.1Very high98Very high7 Ų720.7 Ų20.75%0.0499%0.089CC..SBendtrans-78.6-30.7-178.4-73.70000112.8R185 E249 V375S161-R185 PolarHBondContact O-NE 3.42Å; S161-R185 VanDerWaalsContact O-NE 3.15Å; S161-E249 PolarHBondContact N-OE2 2.97Å; S161-V375 PolarHBondContact OG-O 3.31Å
162R97.3Very high97.9Very high22 Ų2220.6 Ų20.68%0.0839%0.088CC..  trans-134.5121.4-174.9-67.8-179-55.7-59.7-16.7111R185 Y246 Q247 E249 C250 P373R162-R185 WeakPolarHBondContact CA-O 3.21Å; R162-Y246 HydrophobicContact CB-CE1 3.86Å; R162-Y246 HydrophobicContact CB-CE2 4.45Å; R162-Y246 VanDerWaalsContact CD-O 3.31Å; R162-Y246 WeakPolarHBondContact CD-O 3.26Å; R162-Y246 HydrophobicContact CG-CE1 4.49Å; R162-Y246 HydrophobicContact CG-CE2 4.2Å; R162-Y246 PolarHBondContact NE-O 3.16Å; R162-Y246 VanDerWaalsContact NE-O 3.11Å; R162-Q247 VanDerWaalsContact CZ-O 3.26Å; R162-Q247 PolarHBondContact NE-O 3.45Å; R162-Q247 PolarHBondContact NH2-O 2.97Å; R162-E249 IonicContact CZ-OE1 2.66Å; R162-E249 IonicContact NH1-OE1 3.94Å; R162-E249 PolarHBondContact NH1-OE1 3.21Å; R162-E249 VanDerWaalsContact NH1-OE1 3.13Å; R162-E249 IonicContact NH2-OE1 3.59Å; R162-E249 PolarHBondContact NH2-OE1 2.99Å; R162-E249 PolarHBondContact O-N 3.28Å; R162-C250 PolarHBondContact O-N 3.09Å; R162-P373 PolarHBondContact NH1-O 3.22Å
163V98.6Very high97.9Very high0 Ų020.7 Ų20.70%09%0.089CC..EExtended strand (participates in β ladder)trans-114.1129.1175.5-179.20000109.5T153 I156 L157 R185 V186 M187 C250 V252T153-V163 HydrophobicContact CG2-CB 4.18Å; T153-V163 HydrophobicContact CG2-CG1 4Å; T153-V163 HydrophobicContact CG2-CG2 4.41Å; I156-V163 HydrophobicContact CB-CG2 4.22Å; I156-V163 HydrophobicContact CG2-CG2 3.51Å; L157-V163 HydrophobicContact CD2-CB 4.48Å; L157-V163 HydrophobicContact CD2-CG2 3.74Å; L157-V163 HydrophobicContact CG-CG2 4.04Å; V163-R185 PolarHBondContact N-O 3.37Å; V163-V186 HydrophobicContact CB-CG2 4.44Å; V163-V186 VanDerWaalsContact O-CA 3.28Å; V163-V186 WeakPolarHBondContact O-CA 3.5Å; V163-M187 PolarHBondContact O-N 3.25Å; V163-C250 WeakPolarHBondContact CA-O 3.28Å; V163-C250 HydrophobicContact CG2-CB 4.48Å; V163-V252 HydrophobicContact CG1-CG2 3.83Å
164L98.9Very high97.9Very high0 Ų021 Ų210%09%0.091CC..EExtended strand (participates in β ladder)trans-99116.4170.6172.963.5000109.1I166 M187 L189 T242 V243 Y246 P248 C250 I251 V252L164-I166 HydrophobicContact CD1-CG1 4.4Å; L164-I166 HydrophobicContact CD2-CD1 3.88Å; L164-I166 HydrophobicContact CD2-CG1 3.95Å; L164-I166 HydrophobicContact CG-CD1 4.24Å; L164-I166 HydrophobicContact CG-CG1 3.77Å; L164-M187 HydrophobicContact CD1-CB 4.07Å; L164-M187 HydrophobicContact CD1-CG 4.12Å; L164-M187 HydrophobicContact CD1-SD 4.45Å; L164-L189 HydrophobicContact CD1-CB 4.17Å; L164-T242 HydrophobicContact CD1-CG2 3.66Å; L164-T242 HydrophobicContact CD2-CG2 3.92Å; L164-T242 HydrophobicContact CG-CG2 4.47Å; L164-V243 HydrophobicContact CD2-CG2 3.84Å; L164-Y246 HydrophobicContact CB-CD1 4.36Å; L164-P248 HydrophobicContact CB-CB 3.55Å; L164-P248 HydrophobicContact CB-CG 3.75Å; L164-P248 HydrophobicContact CD2-CG 4Å; L164-C250 PolarHBondContact N-O 2.98Å; L164-I251 HydrophobicContact CB-CG1 4.33Å; L164-I251 CarbonylContact O-C 3.54Å; L164-I251 VanDerWaalsContact O-CA 3.28Å; L164-I251 WeakPolarHBondContact O-CA 3.49Å; L164-V252 PolarHBondContact O-N 3.46Å
165Y98.9Very high97.9Very high1 Ų119.6 Ų19.60%0.0048%0.084CC..EExtended strand (participates in β ladder)trans-88.6120169.4173.7-112.6000109.4I149 D167 V176 M187 T188 L189 V252 Q254I149-Y165 HydrophobicContact CD1-CE2 3.92Å; I149-Y165 HydrophobicContact CG2-CD2 3.74Å; I149-Y165 HydrophobicContact CG2-CE2 3.52Å; Y165-D167 HydrophobicContact CD1-CB 4.47Å; Y165-D167 HydrophobicContact CE1-CB 3.63Å; Y165-D167 PolarHBondContact OH-OD2 2.65Å; Y165-V176 HydrophobicContact CD1-CB 4.16Å; Y165-V176 HydrophobicContact CD1-CG1 3.62Å; Y165-V176 HydrophobicContact CD2-CG1 4.18Å; Y165-V176 HydrophobicContact CE1-CB 3.81Å; Y165-V176 HydrophobicContact CE1-CG1 3.77Å; Y165-V176 HydrophobicContact CE1-CG2 4.13Å; Y165-V176 HydrophobicContact CE2-CG1 4.31Å; Y165-V176 HydrophobicContact CE2-CG2 4.39Å; Y165-V176 HydrophobicContact CG-CG1 3.83Å; Y165-M187 PolarHBondContact N-O 3.17Å; Y165-T188 HydrophobicContact CD1-CG2 3.99Å; Y165-L189 PolarHBondContact O-N 3.27Å; Y165-V252 CarbonylContact C-O 3.5Å; Y165-V252 WeakPolarHBondContact CA-O 3.36Å; Y165-V252 HydrophobicContact CD2-CB 4.14Å; Y165-V252 HydrophobicContact CD2-CG1 4.11Å; Y165-Q254 HydrophobicContact CE2-CB 3.78Å
166I98.9Very high98Very high0 Ų018.1 Ų18.10%08%0.077CC..EExtended strand (participates in β ladder)trans-113.8126.2175.4-52.1178.3000107.9L164 I168 L189 F191 F235 V239 I251 V252 L253 Q254 V282L164-I166 HydrophobicContact CD1-CG1 4.4Å; L164-I166 HydrophobicContact CD2-CD1 3.88Å; L164-I166 HydrophobicContact CD2-CG1 3.95Å; L164-I166 HydrophobicContact CG-CD1 4.24Å; L164-I166 HydrophobicContact CG-CG1 3.77Å; I166-I168 HydrophobicContact CG2-CG2 4.45Å; I166-L189 CarbonylContact C-O 3.25Å; I166-L189 WeakPolarHBondContact CA-O 3.49Å; I166-F191 HydrophobicContact CG2-CE2 4.44Å; I166-F235 HydrophobicContact CG2-CE2 4.01Å; I166-F235 HydrophobicContact CG2-CZ 4.36Å; I166-V239 HydrophobicContact CD1-CG1 3.92Å; I166-V239 HydrophobicContact CD1-CG2 4.31Å; I166-V239 HydrophobicContact CG2-CG2 4.44Å; I166-I251 HydrophobicContact CD1-CD1 4.48Å; I166-I251 HydrophobicContact CD1-CG2 3.98Å; I166-I251 HydrophobicContact CG1-CG2 4.2Å; I166-V252 PolarHBondContact N-O 3.01Å; I166-L253 HydrophobicContact CB-CD1 3.84Å; I166-L253 HydrophobicContact CG2-CD1 3.86Å; I166-L253 WeakPolarHBondContact O-CA 3.49Å; I166-Q254 PolarHBondContact O-N 3.45Å; I166-V282 HydrophobicContact CD1-CG1 4.13Å; I166-V282 HydrophobicContact CD1-CG2 3.98Å
167D98.9Very high98Very high0 Ų018.2 Ų18.20%08%0.077CC..EExtended strand (participates in β ladder)trans-119.8117-177.5-163.2-28.5000110.3H133 Y165 D169 G173 L189 F191 Q254H133-D167 IonicContact CE1-OD2 3.9Å; H133-D167 IonicContact CG-OD2 3.06Å; H133-D167 IonicContact ND1-OD1 2.8Å; H133-D167 IonicContact ND1-OD2 3.15Å; H133-D167 PolarHBondContact ND1-OD2 3.2Å; Y165-D167 HydrophobicContact CD1-CB 4.47Å; Y165-D167 HydrophobicContact CE1-CB 3.63Å; Y165-D167 PolarHBondContact OH-OD2 2.65Å; D167-D169 WeakPolarHBondContact OD1-CB 3.27Å; D167-D169 PolarHBondContact OD1-N 3.41Å; D167-G173 WeakPolarHBondContact OD2-CA 3.43Å; D167-G173 PolarHBondContact OD2-N 3.29Å; D167-L189 PolarHBondContact N-O 2.95Å; D167-F191 PolarHBondContact O-N 3.38Å; D167-Q254 PolarHBondContact OD1-OE1 2.91Å; D167-Q254 VanDerWaalsContact OD1-OE1 3.09Å
168I98.8Very high98Very high0 Ų018.3 Ų18.30%08%0.077CC..  trans-111.612.5176.161.8173.1000112.8I166 Y231 F235 Q254 S259 H275 C278I166-I168 HydrophobicContact CG2-CG2 4.45Å; I168-Y231 WeakPolarHBondContact CG2-OH 3.16Å; I168-F235 HydrophobicContact CG2-CD2 4.07Å; I168-F235 HydrophobicContact CG2-CE2 3.39Å; I168-F235 HydrophobicContact CG2-CZ 4.13Å; I168-Q254 WeakPolarHBondContact CG1-O 3.33Å; I168-Q254 PolarHBondContact N-O 3.48Å; I168-S259 VanDerWaalsContact O-CB 3.31Å; I168-S259 WeakPolarHBondContact O-CB 3.18Å; I168-S259 PolarHBondContact O-OG 3.06Å; I168-S259 VanDerWaalsContact O-OG 3.05Å; I168-H275 WeakPolarHBondContact CD1-CE1 3.17Å; I168-H275 WeakPolarHBondContact CD1-NE2 3.31Å; I168-C278 HydrophobicContact CD1-CB 3.96Å
169D98.8Very high98.1Very high0 Ų011.6 Ų11.60%05%0.049CC..SBendtrans-58.4152.9162.6-157.7-80.4000110.5H133 D167 H171 Q254 G256 D258 G295H133-D169 VanDerWaalsContact CE1-CB 3.48Å; H133-D169 WeakPolarHBondContact CE1-CB 3.35Å; H133-D169 IonicContact CE1-OD1 3.66Å; H133-D169 IonicContact CE1-OD2 3.61Å; H133-D169 IonicContact NE2-OD1 2.69Å; H133-D169 IonicContact NE2-OD2 3.87Å; D167-D169 WeakPolarHBondContact OD1-CB 3.27Å; D167-D169 PolarHBondContact OD1-N 3.41Å; D169-H171 PolarHBondContact O-N 3.43Å; D169-H171 WeakPolarHBondContact OD1-CB 3.22Å; D169-H171 IonicContact OD1-CG 2.74Å; D169-H171 PolarHBondContact OD1-N 3.42Å; D169-H171 IonicContact OD1-ND1 3.73Å; D169-H171 PolarHBondContact OD1-ND1 2.77Å; D169-Q254 PolarHBondContact OD2-NE2 3.08Å; D169-G256 WeakPolarHBondContact OD2-CA 3.36Å; D169-D258 VanDerWaalsContact OD1-OD1 3.07Å; D169-G295 VanDerWaalsContact OD2-CA 3.32Å; D169-G295 WeakPolarHBondContact OD2-CA 3.43Å; D169-G295 PolarHBondContact OD2-N 3.09Å
170V98.5Very high98.2Very high0 Ų04.7 Ų4.70%02%0.023CC..SBendtrans-70.2-23.8175.473.20000112H192 M193 F198 D258 F268V170-H192 CarbonylContact O-C 3.58Å; V170-H192 WeakPolarHBondContact O-CA 3.49Å; V170-H192 VanDerWaalsContact O-CB 3.3Å; V170-H192 WeakPolarHBondContact O-CB 3.39Å; V170-M193 HydrophobicContact CG2-CB 3.86Å; V170-M193 PolarHBondContact O-N 3.07Å; V170-F198 HydrophobicContact CG1-CE1 4.38Å; V170-F198 HydrophobicContact CG1-CZ 3.94Å; V170-F198 HydrophobicContact CG2-CE1 4.3Å; V170-F198 HydrophobicContact CG2-CZ 4.08Å; V170-D258 HydrophobicContact CG1-CB 3.83Å; V170-D258 VanDerWaalsContact CG1-CG 3.41Å; V170-D258 PolarHBondContact N-OD1 2.6Å; V170-D258 VanDerWaalsContact N-OD1 3.14Å; V170-F268 HydrophobicContact CG2-CD1 4.17Å; V170-F268 HydrophobicContact CG2-CD2 4.03Å; V170-F268 HydrophobicContact CG2-CE1 4.23Å; V170-F268 HydrophobicContact CG2-CE2 4.06Å; V170-F268 HydrophobicContact CG2-CG 4.06Å; V170-F268 HydrophobicContact CG2-CZ 4.16Å
171H98.7Very high98.3Very high10 Ų104.7 Ų4.75%0.0462%0.022CC..SBendtrans-93.9148.9178.7-50.186.7000111.1H133 H134 D169 G173 H192 F198 F199 D258H133-H171 PolarHBondContact CE1-O 3.43Å; H134-H171 AromaticContact NE2-CG 3.95Å; D169-H171 PolarHBondContact O-N 3.43Å; D169-H171 WeakPolarHBondContact OD1-CB 3.22Å; D169-H171 IonicContact OD1-CG 2.74Å; D169-H171 PolarHBondContact OD1-N 3.42Å; D169-H171 IonicContact OD1-ND1 3.73Å; D169-H171 PolarHBondContact OD1-ND1 2.77Å; H171-G173 PolarHBondContact O-N 3.36Å; H171-H192 VanDerWaalsContact C-CB 3.47Å; H171-F198 AromaticContact CD2-CE1 3.46Å; H171-F198 VanDerWaalsContact CD2-CE1 3.46Å; H171-F198 WeakPolarHBondContact CD2-CE1 3.42Å; H171-F198 AromaticContact CD2-CZ 3.5Å; H171-F198 AromaticContact NE2-CE1 3.9Å; H171-F198 AromaticContact NE2-CZ 3.4Å; H171-F198 WeakPolarHBondContact NE2-CZ 3.49Å; H171-F199 PolarHBondContact CD2-O 3.44Å; H171-D258 IonicContact CE1-OD2 2.94Å; H171-D258 PolarHBondContact CE1-OD2 3.38Å; H171-D258 IonicContact ND1-OD2 3.56Å; H171-D258 PolarHBondContact ND1-OD2 3.34Å
172H98.6Very high98.4Very high1 Ų15.6 Ų5.61%0.0053%0.026CC..  trans-62.7130.4174.3173.5-139.5000110.5H134 D174 Q177 H192 P200 T202 G203 E207 N219H134-H172 PolarHBondContact CE1-O 3.25Å; H172-D174 WeakPolarHBondContact ND1-CB 3.48Å; H172-D174 PolarHBondContact O-N 3.02Å; H172-Q177 PolarHBondContact CE1-NE2 3.23Å; H172-Q177 VanDerWaalsContact CE1-NE2 3.29Å; H172-Q177 PolarHBondContact NE2-OE1 3.09Å; H172-H192 HydrophobicContact CB-CB 4.27Å; H172-H192 AromaticContact CD2-CE1 3.58Å; H172-H192 AromaticContact CD2-ND1 3.72Å; H172-H192 AromaticContact CG-CE1 3.78Å; H172-H192 AromaticContact CG-ND1 3.94Å; H172-P200 HydrophobicContact CB-CG 4.02Å; H172-T202 VanDerWaalsContact ND1-C 3.35Å; H172-T202 PolarHBondContact ND1-OG1 2.79Å; H172-G203 VanDerWaalsContact CE1-CA 3.46Å; H172-G203 WeakPolarHBondContact CE1-CA 3.5Å; H172-G203 PolarHBondContact CE1-N 3.05Å; H172-G203 VanDerWaalsContact ND1-CA 3.32Å; H172-G203 WeakPolarHBondContact ND1-CA 3.48Å; H172-G203 PolarHBondContact ND1-N 3.34Å; H172-G203 VanDerWaalsContact ND1-N 3.1Å; H172-E207 IonicContact CE1-OE2 3.25Å; H172-N219 PolarHBondContact CD2-OD1 3.41Å; H172-N219 PolarHBondContact NE2-OD1 3.29Å
173G98.4Very high98.3Very high1 Ų14.7 Ų4.71%0.012%0.023CC..  trans-68.254.3172.300000114.2H133 D167 H171 G175 V176 Q177H133-G173 WeakPolarHBondContact ND1-CA 3.23Å; D167-G173 WeakPolarHBondContact OD2-CA 3.43Å; D167-G173 PolarHBondContact OD2-N 3.29Å; H171-G173 PolarHBondContact O-N 3.36Å; G173-G175 PolarHBondContact O-N 2.86Å; G173-V176 PolarHBondContact O-N 3.05Å; G173-Q177 PolarHBondContact O-N 3Å
174D98.4Very high98.1Very high7 Ų76.6 Ų6.64%0.0373%0.033CC..Hα-helixtrans-67.9-31.4-165.674.4-41.9000113.5H134 K136 H172 E178 P200 T202 Y391H134-D174 IonicContact CE1-OD1 3.27Å; H134-D174 IonicContact CG-OD1 3.14Å; H134-D174 IonicContact ND1-OD1 3.37Å; H134-D174 PolarHBondContact ND1-OD1 3.06Å; K136-D174 WeakPolarHBondContact CE-OD2 3.41Å; K136-D174 VanDerWaalsContact NZ-C 3.28Å; K136-D174 VanDerWaalsContact NZ-CG 3.27Å; K136-D174 PolarHBondContact NZ-O 3.34Å; K136-D174 VanDerWaalsContact NZ-O 3.09Å; K136-D174 IonicContact NZ-OD1 2.65Å; K136-D174 IonicContact NZ-OD2 3.9Å; K136-D174 PolarHBondContact NZ-OD2 3.08Å; H172-D174 WeakPolarHBondContact ND1-CB 3.48Å; H172-D174 PolarHBondContact O-N 3.02Å; D174-E178 WeakPolarHBondContact O-CB 3.38Å; D174-E178 PolarHBondContact O-N 2.9Å; D174-P200 HydrophobicContact CB-CG 3.85Å; D174-T202 VanDerWaalsContact CB-OG1 3.31Å; D174-T202 WeakPolarHBondContact CB-OG1 3.4Å; D174-Y391 PolarHBondContact O-OH 3.49Å
175G98.5Very high98.1Very high1 Ų17.6 Ų7.61%0.014%0.037CC..Hα-helixtrans-71-38.5174.600000112.5H133 G173 A179H133-G175 CarbonylContact O-C 3.57Å; H133-G175 WeakPolarHBondContact O-CA 3.42Å; H133-G175 PolarHBondContact O-N 2.81Å; H133-G175 VanDerWaalsContact O-N 3.08Å; G173-G175 PolarHBondContact O-N 2.86Å; G175-A179 WeakPolarHBondContact O-CB 3.35Å; G175-A179 PolarHBondContact O-N 2.67Å
176V98.8Very high98Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-70.2-46.1175.8-174.60000110.5H133 I149 V150 Y165 G173 E178 A179 F180 T188H133-V176 HydrophobicContact CB-CG2 3.84Å; H133-V176 PolarHBondContact O-N 3.21Å; I149-V176 HydrophobicContact CB-CG2 3.95Å; I149-V176 HydrophobicContact CD1-CG2 3.79Å; I149-V176 HydrophobicContact CG1-CG2 4.5Å; I149-V176 HydrophobicContact CG2-CG1 4.08Å; I149-V176 HydrophobicContact CG2-CG2 3.86Å; V150-V176 HydrophobicContact CG2-CG1 4.42Å; V150-V176 HydrophobicContact CG2-CG2 4.37Å; Y165-V176 HydrophobicContact CD1-CB 4.16Å; Y165-V176 HydrophobicContact CD1-CG1 3.62Å; Y165-V176 HydrophobicContact CD2-CG1 4.18Å; Y165-V176 HydrophobicContact CE1-CB 3.81Å; Y165-V176 HydrophobicContact CE1-CG1 3.77Å; Y165-V176 HydrophobicContact CE1-CG2 4.13Å; Y165-V176 HydrophobicContact CE2-CG1 4.31Å; Y165-V176 HydrophobicContact CE2-CG2 4.39Å; Y165-V176 HydrophobicContact CG-CG1 3.83Å; G173-V176 PolarHBondContact O-N 3.05Å; V176-E178 VanDerWaalsContact C-N 3.34Å; V176-E178 PolarHBondContact O-N 3.2Å; V176-A179 PolarHBondContact O-N 3.08Å; V176-F180 HydrophobicContact CG1-CD2 3.99Å; V176-F180 HydrophobicContact CG1-CE2 4.17Å; V176-F180 WeakPolarHBondContact O-CD2 3.24Å; V176-F180 PolarHBondContact O-N 3.03Å; V176-T188 HydrophobicContact CG1-CG2 4.31Å
177Q98.6Very high98Very high2 Ų27.6 Ų7.61%0.0094%0.037CC..Hα-helixtrans-57.9-46174.2179174.8-83.300111.5H172 G173 A179 F180 Y181 E207 A217 N219 Y391H172-Q177 PolarHBondContact CE1-NE2 3.23Å; H172-Q177 VanDerWaalsContact CE1-NE2 3.29Å; H172-Q177 PolarHBondContact NE2-OE1 3.09Å; G173-Q177 PolarHBondContact O-N 3Å; Q177-A179 PolarHBondContact O-N 3.37Å; Q177-F180 CarbonylContact O-C 3.55Å; Q177-F180 PolarHBondContact O-N 3.36Å; Q177-Y181 HydrophobicContact CG-CD2 3.95Å; Q177-Y181 HydrophobicContact CG-CE2 4.33Å; Q177-Y181 WeakPolarHBondContact O-CA 3.47Å; Q177-Y181 WeakPolarHBondContact O-CB 3.5Å; Q177-Y181 PolarHBondContact O-N 3.44Å; Q177-E207 PolarHBondContact NE2-OE2 3.13Å; Q177-E207 VanDerWaalsContact NE2-OE2 3.14Å; Q177-A217 HydrophobicContact CG-CB 4.01Å; Q177-N219 PolarHBondContact OE1-ND2 3.46Å; Q177-N219 PolarHBondContact OE1-OD1 3.14Å; Q177-N219 VanDerWaalsContact OE1-OD1 3.13Å; Q177-Y391 WeakPolarHBondContact CG-OH 3.48Å; Q177-Y391 VanDerWaalsContact NE2-CE1 3.26Å; Q177-Y391 PolarHBondContact NE2-OH 3.43Å
178E98.1Very high98Very high12 Ų127.9 Ų7.96%0.0564%0.039CC..Hα-helixtrans-60.8-45178.2-174.1-178.9128.800111.5K136 D174 V176 F180 Y181 A385 F389 Y391K136-E178 WeakPolarHBondContact CD-OE2 3.45Å; K136-E178 WeakPolarHBondContact CE-OE2 3.2Å; K136-E178 IonicContact NZ-OE2 3.71Å; K136-E178 PolarHBondContact NZ-OE2 3.01Å; D174-E178 WeakPolarHBondContact O-CB 3.38Å; D174-E178 PolarHBondContact O-N 2.9Å; V176-E178 VanDerWaalsContact C-N 3.34Å; V176-E178 PolarHBondContact O-N 3.2Å; E178-F180 VanDerWaalsContact C-N 3.27Å; E178-F180 PolarHBondContact O-N 3.4Å; E178-Y181 WeakPolarHBondContact O-CB 3.21Å; E178-Y181 PolarHBondContact O-N 3.42Å; E178-A385 WeakPolarHBondContact O-CB 3.49Å; E178-F389 HydrophobicContact CG-CD1 3.96Å; E178-Y391 PolarHBondContact N-OH 3.25Å
179A98Very high98Very high3 Ų37.9 Ų7.93%0.0254%0.039CC..Hα-helixtrans-58.4-39.8-179.300000112.7F60 V150 G175 V176 Q177 L384 A385F60-A179 HydrophobicContact CD2-CB 4.35Å; F60-A179 HydrophobicContact CE2-CB 3.54Å; F60-A179 HydrophobicContact CZ-CB 3.85Å; V150-A179 HydrophobicContact CB-CB 4.35Å; V150-A179 HydrophobicContact CG1-CB 3.85Å; V150-A179 HydrophobicContact CG2-CB 3.49Å; V150-A179 VanDerWaalsContact CG2-CB 3.49Å; G175-A179 WeakPolarHBondContact O-CB 3.35Å; G175-A179 PolarHBondContact O-N 2.67Å; V176-A179 PolarHBondContact O-N 3.08Å; Q177-A179 PolarHBondContact O-N 3.37Å; A179-L384 WeakPolarHBondContact O-CA 3.11Å; A179-L384 VanDerWaalsContact O-CD2 3.27Å; A179-L384 WeakPolarHBondContact O-CD2 3.21Å; A179-A385 PolarHBondContact O-N 2.88Å
180F97.9Very high98Very high6 Ų68 Ų83%0.0264%0.04CC..Hα-helixtrans-104.112.3-175.8-62.3-61.5000114.4V150 T153 L154 L157 V176 Q177 E178 L182 T183 V186 V382 L384V150-F180 HydrophobicContact CB-CE2 4.27Å; V150-F180 HydrophobicContact CB-CZ 4.36Å; V150-F180 HydrophobicContact CG1-CE2 4.13Å; V150-F180 HydrophobicContact CG1-CZ 3.83Å; V150-F180 HydrophobicContact CG2-CE2 3.91Å; V150-F180 HydrophobicContact CG2-CZ 4.45Å; T153-F180 HydrophobicContact CG2-CE1 4.22Å; T153-F180 HydrophobicContact CG2-CE2 3.77Å; T153-F180 HydrophobicContact CG2-CZ 3.48Å; T153-F180 VanDerWaalsContact CG2-CZ 3.48Å; L154-F180 HydrophobicContact CD2-CE1 4.25Å; L157-F180 HydrophobicContact CD1-CE1 4.34Å; V176-F180 HydrophobicContact CG1-CD2 3.99Å; V176-F180 HydrophobicContact CG1-CE2 4.17Å; V176-F180 WeakPolarHBondContact O-CD2 3.24Å; V176-F180 PolarHBondContact O-N 3.03Å; Q177-F180 CarbonylContact O-C 3.55Å; Q177-F180 PolarHBondContact O-N 3.36Å; E178-F180 VanDerWaalsContact C-N 3.27Å; E178-F180 PolarHBondContact O-N 3.4Å; F180-L182 PolarHBondContact O-N 2.97Å; F180-T183 HydrophobicContact CB-CG2 3.9Å; F180-T183 HydrophobicContact CD1-CG2 3.89Å; F180-T183 HydrophobicContact CG-CG2 4.36Å; F180-T183 WeakPolarHBondContact O-CG2 3.47Å; F180-T183 PolarHBondContact O-N 3.27Å; F180-T183 VanDerWaalsContact O-N 3.16Å; F180-V186 HydrophobicContact CB-CB 3.89Å; F180-V186 HydrophobicContact CB-CG1 4.13Å; F180-V186 HydrophobicContact CB-CG2 4.5Å; F180-V186 HydrophobicContact CD1-CB 3.94Å; F180-V186 HydrophobicContact CD1-CG1 4.44Å; F180-V186 HydrophobicContact CD1-CG2 3.58Å; F180-V186 HydrophobicContact CD2-CB 4.12Å; F180-V186 HydrophobicContact CD2-CG1 3.72Å; F180-V186 HydrophobicContact CD2-CG2 4.24Å; F180-V186 HydrophobicContact CE1-CG2 3.75Å; F180-V186 HydrophobicContact CE2-CG1 4.23Å; F180-V186 HydrophobicContact CE2-CG2 4.38Å; F180-V186 HydrophobicContact CG-CB 3.71Å; F180-V186 HydrophobicContact CG-CG1 3.84Å; F180-V186 HydrophobicContact CG-CG2 3.85Å; F180-V186 HydrophobicContact CZ-CG2 4.15Å; F180-V382 HydrophobicContact CD1-CG1 4.25Å; F180-V382 HydrophobicContact CE1-CG1 4.29Å; F180-L384 HydrophobicContact CD1-CD2 3.94Å; F180-L384 HydrophobicContact CE1-CD2 3.76Å
181Y97.4Very high98Very high25 Ų258 Ų810%0.0984%0.04CC..THydrogen-bonded Turntrans-60.3-21.7-173.8-155-101000114.8Q177 E178 K208 G209 D210 F389 Y391Q177-Y181 HydrophobicContact CG-CD2 3.95Å; Q177-Y181 HydrophobicContact CG-CE2 4.33Å; Q177-Y181 WeakPolarHBondContact O-CA 3.47Å; Q177-Y181 WeakPolarHBondContact O-CB 3.5Å; Q177-Y181 PolarHBondContact O-N 3.44Å; E178-Y181 WeakPolarHBondContact O-CB 3.21Å; E178-Y181 PolarHBondContact O-N 3.42Å; Y181-K208 PolarHBondContact OH-N 3.44Å; Y181-G209 VanDerWaalsContact CE1-CA 3.47Å; Y181-G209 VanDerWaalsContact CE2-N 3.3Å; Y181-G209 VanDerWaalsContact CZ-CA 3.4Å; Y181-G209 VanDerWaalsContact CZ-N 3.26Å; Y181-G209 VanDerWaalsContact O-CA 3.32Å; Y181-G209 WeakPolarHBondContact O-CA 3.18Å; Y181-G209 PolarHBondContact OH-N 2.95Å; Y181-D210 HydrophobicContact CD1-CB 3.92Å; Y181-D210 HydrophobicContact CE1-CB 3.73Å; Y181-D210 PolarHBondContact O-N 2.95Å; Y181-F389 AromaticContact CD1-CE1 3.73Å; Y181-F389 HydrophobicContact CD1-CE1 3.73Å; Y181-F389 AromaticContact CD1-CE2 3.96Å; Y181-F389 HydrophobicContact CD1-CE2 3.96Å; Y181-F389 AromaticContact CD1-CZ 3.18Å; Y181-F389 HydrophobicContact CD1-CZ 3.18Å; Y181-F389 HydrophobicContact CE1-CE1 4.21Å; Y181-F389 HydrophobicContact CE1-CE2 4.35Å; Y181-F389 AromaticContact CE1-CZ 3.47Å; Y181-F389 HydrophobicContact CE1-CZ 3.47Å; Y181-F389 VanDerWaalsContact CE1-CZ 3.47Å; Y181-F389 AromaticContact CG-CE1 3.91Å; Y181-F389 HydrophobicContact CG-CE1 3.91Å; Y181-F389 AromaticContact CG-CZ 3.86Å; Y181-F389 HydrophobicContact CG-CZ 3.86Å; Y181-Y391 HydrophobicContact CD2-CE1 4.06Å; Y181-Y391 HydrophobicContact CE2-CD1 4.25Å; Y181-Y391 AromaticContact CE2-CE1 3.67Å; Y181-Y391 HydrophobicContact CE2-CE1 3.67Å
182L96.5Very high98Very high27 Ų277.6 Ų7.614%0.1414%0.038CC..THydrogen-bonded Turntrans-110.616.8-175.6-56.8-178.7000113.5F180 D210 I212 M383 A385F180-L182 PolarHBondContact O-N 2.97Å; L182-D210 HydrophobicContact CD2-CB 3.8Å; L182-I212 WeakPolarHBondContact O-CD1 3.14Å; L182-I212 WeakPolarHBondContact O-CG1 3.4Å; L182-M383 HydrophobicContact CB-CG 4.37Å; L182-M383 HydrophobicContact CB-SD 4.4Å; L182-M383 HydrophobicContact CD1-SD 4.47Å; L182-A385 HydrophobicContact CD1-CB 4.47Å
183T95.5Very high98Very high3 Ų38.3 Ų8.32%0.0184%0.041CC..  trans-131.2150.2178-170.70000112.1F180 R185 V186 G213 V382F180-T183 HydrophobicContact CB-CG2 3.9Å; F180-T183 HydrophobicContact CD1-CG2 3.89Å; F180-T183 HydrophobicContact CG-CG2 4.36Å; F180-T183 WeakPolarHBondContact O-CG2 3.47Å; F180-T183 PolarHBondContact O-N 3.27Å; F180-T183 VanDerWaalsContact O-N 3.16Å; T183-R185 PolarHBondContact OG1-N 3.32Å; T183-V186 HydrophobicContact CG2-CB 4.34Å; T183-V186 HydrophobicContact CG2-CG2 4.48Å; T183-G213 VanDerWaalsContact O-CA 3.28Å; T183-G213 WeakPolarHBondContact O-CA 3.45Å; T183-V382 HydrophobicContact CG2-CG1 3.88Å
184D95.9Very high97.9Very high39 Ų3911.5 Ų11.521%0.2096%0.055CC..SBendtrans-95.8-7.2170.860.2-10000112.8V186 Y216 Y246 P373D184-V186 VanDerWaalsContact C-N 3.27Å; D184-V186 PolarHBondContact O-N 3.17Å; D184-Y216 HydrophobicContact CB-CD1 4.16Å; D184-Y216 HydrophobicContact CB-CD2 3.67Å; D184-Y216 HydrophobicContact CB-CE1 3.97Å; D184-Y216 HydrophobicContact CB-CE2 3.4Å; D184-Y216 HydrophobicContact CB-CG 4.06Å; D184-Y246 VanDerWaalsContact O-CE2 3.32Å; D184-Y246 WeakPolarHBondContact O-CE2 3.21Å; D184-Y246 PolarHBondContact O-OH 3.49Å; D184-P373 HydrophobicContact CB-CB 4.38Å; D184-P373 HydrophobicContact CB-CG 3.77Å
185R97.2Very high97.6Very high22 Ų2212.6 Ų12.68%0.0837%0.068CC..SBendtrans-76.5-15.2178.9-66.5-166.263.8-163.4-6.8113.8L157 H160 S161 R162 V163 T183 Y246 V375L157-R185 HydrophobicContact CD2-CB 4.03Å; L157-R185 PolarHBondContact O-NH2 2.83Å; H160-R185 PolarHBondContact O-NH2 3.33Å; S161-R185 PolarHBondContact O-NE 3.42Å; S161-R185 VanDerWaalsContact O-NE 3.15Å; R162-R185 WeakPolarHBondContact CA-O 3.21Å; V163-R185 PolarHBondContact N-O 3.37Å; T183-R185 PolarHBondContact OG1-N 3.32Å; R185-Y246 PolarHBondContact O-OH 3.27Å; R185-V375 HydrophobicContact CG-CG2 3.98Å
186V98.3Very high97.2Very high1 Ų119.9 Ų19.91%0.00611%0.107CC..EExtended strand (participates in β ladder)trans-127.6126.2170.9-175.80000107.9T153 L157 V163 F180 T183 D184 T188 Y246T153-V186 HydrophobicContact CG2-CG1 4.28Å; T153-V186 HydrophobicContact CG2-CG2 3.69Å; L157-V186 HydrophobicContact CD1-CG2 3.58Å; L157-V186 HydrophobicContact CD2-CG2 4.31Å; L157-V186 HydrophobicContact CG-CG2 4.38Å; V163-V186 HydrophobicContact CB-CG2 4.44Å; V163-V186 VanDerWaalsContact O-CA 3.28Å; V163-V186 WeakPolarHBondContact O-CA 3.5Å; F180-V186 HydrophobicContact CB-CB 3.89Å; F180-V186 HydrophobicContact CB-CG1 4.13Å; F180-V186 HydrophobicContact CB-CG2 4.5Å; F180-V186 HydrophobicContact CD1-CB 3.94Å; F180-V186 HydrophobicContact CD1-CG1 4.44Å; F180-V186 HydrophobicContact CD1-CG2 3.58Å; F180-V186 HydrophobicContact CD2-CB 4.12Å; F180-V186 HydrophobicContact CD2-CG1 3.72Å; F180-V186 HydrophobicContact CD2-CG2 4.24Å; F180-V186 HydrophobicContact CE1-CG2 3.75Å; F180-V186 HydrophobicContact CE2-CG1 4.23Å; F180-V186 HydrophobicContact CE2-CG2 4.38Å; F180-V186 HydrophobicContact CG-CB 3.71Å; F180-V186 HydrophobicContact CG-CG1 3.84Å; F180-V186 HydrophobicContact CG-CG2 3.85Å; F180-V186 HydrophobicContact CZ-CG2 4.15Å; T183-V186 HydrophobicContact CG2-CB 4.34Å; T183-V186 HydrophobicContact CG2-CG2 4.48Å; D184-V186 VanDerWaalsContact C-N 3.27Å; D184-V186 PolarHBondContact O-N 3.17Å; V186-T188 HydrophobicContact CG1-CG2 4.5Å; V186-Y246 PolarHBondContact N-OH 2.91Å
187M98.5Very high96.8Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-102.5127.4167.9-175.9173.8-75.100108.9V163 L164 Y165 Y216 L218 T242 Y246 L366 L369V163-M187 PolarHBondContact O-N 3.25Å; L164-M187 HydrophobicContact CD1-CB 4.07Å; L164-M187 HydrophobicContact CD1-CG 4.12Å; L164-M187 HydrophobicContact CD1-SD 4.45Å; Y165-M187 PolarHBondContact N-O 3.17Å; M187-Y216 CarbonylContact C-O 3.57Å; M187-Y216 WeakPolarHBondContact CA-O 3.46Å; M187-Y216 HydrophobicContact CB-CD1 4.38Å; M187-Y216 HydrophobicContact CE-CD1 3.44Å; M187-Y216 VanDerWaalsContact CE-CD1 3.44Å; M187-Y216 HydrophobicContact CE-CE1 3.88Å; M187-Y216 HydrophobicContact CE-CG 4.28Å; M187-Y216 WeakPolarHBondContact CG-O 3.43Å; M187-L218 HydrophobicContact CG-CD1 4.46Å; M187-L218 HydrophobicContact SD-CD1 3.8Å; M187-L218 HydrophobicContact SD-CG 4.45Å; M187-T242 HydrophobicContact SD-CG2 3.51Å; M187-T242 VanDerWaalsContact SD-CG2 3.51Å; M187-Y246 HydrophobicContact CB-CD1 3.74Å; M187-Y246 HydrophobicContact CB-CD2 4.28Å; M187-Y246 HydrophobicContact CB-CE1 3.55Å; M187-Y246 HydrophobicContact CB-CE2 4.12Å; M187-Y246 HydrophobicContact CB-CG 4.1Å; M187-Y246 HydrophobicContact CE-CD1 4.5Å; M187-Y246 HydrophobicContact CE-CD2 3.52Å; M187-Y246 HydrophobicContact CE-CE2 4.18Å; M187-Y246 HydrophobicContact CE-CG 3.7Å; M187-Y246 PolarHBondContact N-OH 3.34Å; M187-Y246 HydrophobicContact SD-CD1 4.27Å; M187-Y246 HydrophobicContact SD-CD2 4.31Å; M187-Y246 HydrophobicContact SD-CG 3.91Å; M187-L366 HydrophobicContact CE-CD2 4.48Å; M187-L366 HydrophobicContact SD-CD2 4.34Å; M187-L369 HydrophobicContact CE-CD1 3.64Å
188T98.8Very high96.7Very high6 Ų629.1 Ų29.14%0.03716%0.155CC..EExtended strand (participates in β ladder)trans-96.8137.4172.662.90000110.5Y165 V176 V186 Y216 A217 L218Y165-T188 HydrophobicContact CD1-CG2 3.99Å; V176-T188 HydrophobicContact CG1-CG2 4.31Å; V186-T188 HydrophobicContact CG1-CG2 4.5Å; T188-Y216 PolarHBondContact N-O 3.24Å; T188-A217 WeakPolarHBondContact OG1-CA 3.07Å; T188-L218 WeakPolarHBondContact O-CB 3.15Å; T188-L218 PolarHBondContact O-N 2.87Å
189L98.9Very high96.6Very high0 Ų032.1 Ų32.10%017%0.168CC..EExtended strand (participates in β ladder)trans-136.2109.6175.8173.160.6000108.8L164 Y165 I166 D167 F191 L218 V220 V238 V239 T242L164-L189 HydrophobicContact CD1-CB 4.17Å; Y165-L189 PolarHBondContact O-N 3.27Å; I166-L189 CarbonylContact C-O 3.25Å; I166-L189 WeakPolarHBondContact CA-O 3.49Å; D167-L189 PolarHBondContact N-O 2.95Å; L189-F191 HydrophobicContact CD1-CE2 3.88Å; L189-F191 HydrophobicContact CD1-CZ 4.03Å; L189-F191 HydrophobicContact CD2-CE2 3.73Å; L189-F191 HydrophobicContact CD2-CZ 4.06Å; L189-F191 HydrophobicContact CG-CD2 4.29Å; L189-F191 HydrophobicContact CG-CE2 3.56Å; L189-F191 HydrophobicContact CG-CZ 4.12Å; L189-L218 WeakPolarHBondContact CA-O 3.33Å; L189-L218 HydrophobicContact CD1-CB 3.75Å; L189-L218 HydrophobicContact CD1-CD1 4.39Å; L189-V220 HydrophobicContact CD1-CG2 4.02Å; L189-V238 HydrophobicContact CD1-CG1 3.73Å; L189-V238 HydrophobicContact CD2-CG1 4.1Å; L189-V239 HydrophobicContact CD2-CG2 3.84Å; L189-T242 HydrophobicContact CD2-CG2 4.35Å
190S98.9Very high96.6Very high3 Ų333.3 Ų33.32%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-121.1133.4-177.3-179.30000112H192 L218 V220S190-H192 PolarHBondContact OG-ND1 3.29Å; S190-L218 PolarHBondContact N-O 3.34Å; S190-V220 PolarHBondContact O-N 2.82Å
191F98.9Very high96.5Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-114.287.5178-64.6-96.4000110.2I166 D167 L189 V220 L222 Y231 F235 V238 V239I166-F191 HydrophobicContact CG2-CE2 4.44Å; D167-F191 PolarHBondContact O-N 3.38Å; L189-F191 HydrophobicContact CD1-CE2 3.88Å; L189-F191 HydrophobicContact CD1-CZ 4.03Å; L189-F191 HydrophobicContact CD2-CE2 3.73Å; L189-F191 HydrophobicContact CD2-CZ 4.06Å; L189-F191 HydrophobicContact CG-CD2 4.29Å; L189-F191 HydrophobicContact CG-CE2 3.56Å; L189-F191 HydrophobicContact CG-CZ 4.12Å; F191-V220 HydrophobicContact CD1-CB 3.61Å; F191-V220 HydrophobicContact CD1-CG1 3.68Å; F191-V220 HydrophobicContact CD1-CG2 3.85Å; F191-V220 HydrophobicContact CE1-CB 4.01Å; F191-V220 HydrophobicContact CE1-CG1 4Å; F191-V220 HydrophobicContact CE1-CG2 3.72Å; F191-V220 HydrophobicContact CG-CB 4.19Å; F191-V220 HydrophobicContact CG-CG2 4.46Å; F191-V220 HydrophobicContact CZ-CG2 4.27Å; F191-L222 HydrophobicContact CB-CD1 4.35Å; F191-Y231 HydrophobicContact CB-CE2 4.25Å; F191-Y231 WeakPolarHBondContact CB-OH 3.23Å; F191-F235 HydrophobicContact CD1-CD2 4.35Å; F191-F235 AromaticContact CD2-CD2 3.77Å; F191-F235 HydrophobicContact CD2-CD2 3.77Å; F191-F235 HydrophobicContact CD2-CE2 4.05Å; F191-F235 HydrophobicContact CE1-CB 4.31Å; F191-F235 HydrophobicContact CE1-CD2 4.16Å; F191-F235 AromaticContact CE2-CD2 3.53Å; F191-F235 HydrophobicContact CE2-CD2 3.53Å; F191-F235 AromaticContact CE2-CE2 3.8Å; F191-F235 HydrophobicContact CE2-CE2 3.8Å; F191-F235 HydrophobicContact CG-CD2 4.17Å; F191-F235 HydrophobicContact CZ-CB 4.47Å; F191-F235 AromaticContact CZ-CD2 3.74Å; F191-F235 HydrophobicContact CZ-CD2 3.74Å; F191-F235 HydrophobicContact CZ-CE2 4.39Å; F191-F235 HydrophobicContact CZ-CG 4.41Å; F191-V238 HydrophobicContact CE1-CB 4.09Å; F191-V238 HydrophobicContact CE1-CG1 4.1Å; F191-V238 HydrophobicContact CZ-CB 3.87Å; F191-V238 HydrophobicContact CZ-CG1 3.66Å; F191-V239 HydrophobicContact CE2-CG2 3.98Å; F191-V239 HydrophobicContact CZ-CG2 4.03Å
192H98.7Very high96.5Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-124.8161.1-16851.3-97.1000112.1V170 H171 H172 S190 G203 V220 L222V170-H192 CarbonylContact O-C 3.58Å; V170-H192 WeakPolarHBondContact O-CA 3.49Å; V170-H192 VanDerWaalsContact O-CB 3.3Å; V170-H192 WeakPolarHBondContact O-CB 3.39Å; H171-H192 VanDerWaalsContact C-CB 3.47Å; H172-H192 HydrophobicContact CB-CB 4.27Å; H172-H192 AromaticContact CD2-CE1 3.58Å; H172-H192 AromaticContact CD2-ND1 3.72Å; H172-H192 AromaticContact CG-CE1 3.78Å; H172-H192 AromaticContact CG-ND1 3.94Å; S190-H192 PolarHBondContact OG-ND1 3.29Å; H192-G203 PolarHBondContact NE2-O 2.89Å; H192-G203 VanDerWaalsContact NE2-O 3.09Å; H192-V220 PolarHBondContact N-O 2.97Å; H192-L222 PolarHBondContact O-N 3.04Å
193M98.1Very high96.5Very high16 Ų1633.5 Ų33.58%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-71137.3168.7-175.7170.4163.200109.7V170 F198 L222 Y267 F268V170-M193 HydrophobicContact CG2-CB 3.86Å; V170-M193 PolarHBondContact O-N 3.07Å; M193-F198 HydrophobicContact CB-CD1 3.79Å; M193-F198 HydrophobicContact CB-CE1 3.74Å; M193-F198 HydrophobicContact CB-CG 4.41Å; M193-F198 HydrophobicContact CB-CZ 4.33Å; M193-F198 HydrophobicContact CE-CD2 4.29Å; M193-F198 HydrophobicContact CE-CG 4.45Å; M193-F198 HydrophobicContact CG-CD1 4.06Å; M193-F198 HydrophobicContact CG-CE1 4.37Å; M193-F198 HydrophobicContact CG-CG 4.19Å; M193-F198 WeakPolarHBondContact O-CD1 3.47Å; M193-F198 HydrophobicContact SD-CD2 4.14Å; M193-F198 HydrophobicContact SD-CE2 4.25Å; M193-F198 HydrophobicContact SD-CG 4.31Å; M193-F198 HydrophobicContact SD-CZ 4.49Å; M193-L222 CarbonylContact C-O 3.58Å; M193-L222 WeakPolarHBondContact CA-O 3.08Å; M193-Y267 HydrophobicContact CE-CD2 4.08Å; M193-Y267 HydrophobicContact SD-CD2 3.82Å; M193-Y267 HydrophobicContact SD-CG 4.26Å; M193-F268 HydrophobicContact CB-CD1 4.46Å; M193-F268 HydrophobicContact CB-CE1 3.58Å; M193-F268 HydrophobicContact CB-CZ 3.82Å; M193-F268 HydrophobicContact CG-CE1 4.11Å
194F97Very high96.6Very high69 Ų6935.4 Ų35.430%0.30320%0.2SC..  trans-140.2141.6176-172.9-91.1000111.4T202 I204 P221 L222F194-T202 VanDerWaalsContact CD2-O 3.31Å; F194-T202 WeakPolarHBondContact CD2-O 3.2Å; F194-T202 WeakPolarHBondContact CE2-O 3.18Å; F194-I204 HydrophobicContact CD1-CG2 4.46Å; F194-I204 HydrophobicContact CD2-CG2 4.41Å; F194-I204 HydrophobicContact CE1-CG2 3.62Å; F194-I204 HydrophobicContact CE2-CG2 3.55Å; F194-I204 HydrophobicContact CZ-CG2 3.1Å; F194-P221 HydrophobicContact CB-CB 3.55Å; F194-P221 HydrophobicContact CD1-CB 4.42Å; F194-P221 HydrophobicContact CG-CB 4.11Å; F194-L222 PolarHBondContact N-O 3.03Å
195G91.8Very high96.6Very high30 Ų3035.7 Ų35.731%0.30920%0.204SC..SBendtrans118175.1-176.400000112.6N197 F198G195-N197 PolarHBondContact O-N 3.01Å; G195-F198 WeakPolarHBondContact O-CB 3.31Å; G195-F198 PolarHBondContact O-N 3.05Å
196D88.9Confident96.5Very high154 Ų15438.1 Ų38.182%0.82422%0.224SC*.THydrogen-bonded Turntrans4935.6174.5-60.6-27.6000115.9F198D196-F198 PolarHBondContact O-N 3.42Å
197N90.4Very high96.4Very high172 Ų17238.6 Ų38.692%0.9223%0.226SC*.THydrogen-bonded Turntrans56.427-174.2-57.1-41.8000114.1G195 F199G195-N197 PolarHBondContact O-N 3.01Å; N197-F199 PolarHBondContact O-N 3.13Å
198F96.3Very high96.3Very high23 Ų2341.9 Ų41.910%0.10124%0.241CC..  trans-63.3131.8175-167.3-105.2000110.5V170 H171 M193 G195 D196 G201 Y267V170-F198 HydrophobicContact CG1-CE1 4.38Å; V170-F198 HydrophobicContact CG1-CZ 3.94Å; V170-F198 HydrophobicContact CG2-CE1 4.3Å; V170-F198 HydrophobicContact CG2-CZ 4.08Å; H171-F198 AromaticContact CD2-CE1 3.46Å; H171-F198 VanDerWaalsContact CD2-CE1 3.46Å; H171-F198 WeakPolarHBondContact CD2-CE1 3.42Å; H171-F198 AromaticContact CD2-CZ 3.5Å; H171-F198 AromaticContact NE2-CE1 3.9Å; H171-F198 AromaticContact NE2-CZ 3.4Å; H171-F198 WeakPolarHBondContact NE2-CZ 3.49Å; M193-F198 HydrophobicContact CB-CD1 3.79Å; M193-F198 HydrophobicContact CB-CE1 3.74Å; M193-F198 HydrophobicContact CB-CG 4.41Å; M193-F198 HydrophobicContact CB-CZ 4.33Å; M193-F198 HydrophobicContact CE-CD2 4.29Å; M193-F198 HydrophobicContact CE-CG 4.45Å; M193-F198 HydrophobicContact CG-CD1 4.06Å; M193-F198 HydrophobicContact CG-CE1 4.37Å; M193-F198 HydrophobicContact CG-CG 4.19Å; M193-F198 WeakPolarHBondContact O-CD1 3.47Å; M193-F198 HydrophobicContact SD-CD2 4.14Å; M193-F198 HydrophobicContact SD-CE2 4.25Å; M193-F198 HydrophobicContact SD-CG 4.31Å; M193-F198 HydrophobicContact SD-CZ 4.49Å; G195-F198 WeakPolarHBondContact O-CB 3.31Å; G195-F198 PolarHBondContact O-N 3.05Å; D196-F198 PolarHBondContact O-N 3.42Å; F198-G201 PolarHBondContact O-N 2.83Å; F198-Y267 HydrophobicContact CD2-CD2 4.02Å; F198-Y267 AromaticContact CD2-CE2 3.96Å; F198-Y267 HydrophobicContact CD2-CE2 3.96Å; F198-Y267 AromaticContact CE2-CD2 3.63Å; F198-Y267 HydrophobicContact CE2-CD2 3.63Å; F198-Y267 AromaticContact CE2-CE2 3.64Å; F198-Y267 HydrophobicContact CE2-CE2 3.64Å
199F97.4Very high96.2Very high75 Ų7541.9 Ų41.933%0.32924%0.241SC..THydrogen-bonded Turntrans-62.9142.2-179.4-179.3-92.2000110.4H134 H171 N197H134-F199 AromaticContact CD2-CE1 3.76Å; H134-F199 AromaticContact CE1-CE1 3.55Å; H134-F199 AromaticContact CG-CE1 3.88Å; H134-F199 AromaticContact ND1-CE1 3.74Å; H134-F199 AromaticContact NE2-CD1 3.97Å; H134-F199 AromaticContact NE2-CE1 3.49Å; H134-F199 WeakPolarHBondContact NE2-CE1 3.27Å; H171-F199 PolarHBondContact CD2-O 3.44Å; N197-F199 PolarHBondContact O-N 3.13Å
200P97.5Very high96Very high28 Ų2846.2 Ų46.218%0.18227%0.265CS..THydrogen-bonded Turncis-89.680.734.9-35.5000114.9H172 D174 T202H172-P200 HydrophobicContact CB-CG 4.02Å; D174-P200 HydrophobicContact CB-CG 3.85Å; P200-T202 WeakPolarHBondContact CG-OG1 3.38Å; P200-T202 PolarHBondContact O-N 3.38Å
201G95.7Very high95.8Very high45 Ų4548.7 Ų48.746%0.46429%0.29SS..  trans72.212.7-176.400000114.9F198F198-G201 PolarHBondContact O-N 2.83Å
202T97Very high95.5Very high18 Ų1853.5 Ų53.511%0.1132%0.315CS..  trans-115.7-177.1172.659.70000109.6H172 D174 F194 P200 Y391H172-T202 VanDerWaalsContact ND1-C 3.35Å; H172-T202 PolarHBondContact ND1-OG1 2.79Å; D174-T202 VanDerWaalsContact CB-OG1 3.31Å; D174-T202 WeakPolarHBondContact CB-OG1 3.4Å; F194-T202 VanDerWaalsContact CD2-O 3.31Å; F194-T202 WeakPolarHBondContact CD2-O 3.2Å; F194-T202 WeakPolarHBondContact CE2-O 3.18Å; P200-T202 WeakPolarHBondContact CG-OG1 3.38Å; P200-T202 PolarHBondContact O-N 3.38Å; T202-Y391 HydrophobicContact CG2-CD2 3.77Å; T202-Y391 HydrophobicContact CG2-CE2 4.02Å
203G97.3Very high95.4Very high0 Ų053.6 Ų53.60%032%0.316CS..  trans91.224.9-177.900000112.6H172 H192 E207 N219H172-G203 VanDerWaalsContact CE1-CA 3.46Å; H172-G203 WeakPolarHBondContact CE1-CA 3.5Å; H172-G203 PolarHBondContact CE1-N 3.05Å; H172-G203 VanDerWaalsContact ND1-CA 3.32Å; H172-G203 WeakPolarHBondContact ND1-CA 3.48Å; H172-G203 PolarHBondContact ND1-N 3.34Å; H172-G203 VanDerWaalsContact ND1-N 3.1Å; H192-G203 PolarHBondContact NE2-O 2.89Å; H192-G203 VanDerWaalsContact NE2-O 3.09Å; G203-E207 WeakPolarHBondContact CA-OE2 3.36Å; G203-E207 PolarHBondContact N-OE2 3.19Å; G203-N219 WeakPolarHBondContact O-CB 3.13Å
204I96.4Very high95.3Very high43 Ų4357 Ų5722%0.22133%0.334CS..  trans-72.1151.2171.658178.1000110.7F194 S206 E207F194-I204 HydrophobicContact CD1-CG2 4.46Å; F194-I204 HydrophobicContact CD2-CG2 4.41Å; F194-I204 HydrophobicContact CE1-CG2 3.62Å; F194-I204 HydrophobicContact CE2-CG2 3.55Å; F194-I204 HydrophobicContact CZ-CG2 3.1Å; I204-S206 WeakPolarHBondContact CD1-OG 3.4Å; I204-S206 WeakPolarHBondContact CG1-OG 3.39Å; I204-S206 PolarHBondContact O-N 2.88Å; I204-E207 HydrophobicContact CD1-CG 4.42Å; I204-E207 HydrophobicContact CG1-CB 4.41Å; I204-E207 HydrophobicContact CG1-CG 3.67Å; I204-E207 WeakPolarHBondContact O-CB 3.35Å; I204-E207 PolarHBondContact O-N 3.02Å
205P95.9Very high95.2Very high45 Ų4553.7 Ų53.729%0.29232%0.32SS..THydrogen-bonded Turntrans-60.1-21.6-176.8-25.835.4000115P221 Y361P205-P221 HydrophobicContact CG-CG 3.78Å; P205-Y361 HydrophobicContact CB-CD1 3.9Å; P205-Y361 HydrophobicContact CB-CE1 3.41Å; P205-Y361 VanDerWaalsContact CB-CE1 3.41Å; P205-Y361 HydrophobicContact CB-CE2 4.46Å; P205-Y361 PolarHBondContact O-OH 3.31Å; P205-Y361 VanDerWaalsContact O-OH 3.07Å
206S95.4Very high95.5Very high73 Ų7352.8 Ų52.851%0.5131%0.307SS..THydrogen-bonded Turntrans-78.7-14.7176.149.60000114.4I204 K208I204-S206 WeakPolarHBondContact CD1-OG 3.4Å; I204-S206 WeakPolarHBondContact CG1-OG 3.39Å; I204-S206 PolarHBondContact O-N 2.88Å; S206-K208 WeakPolarHBondContact O-CG 3.07Å; S206-K208 PolarHBondContact O-N 2.81Å; S206-K208 VanDerWaalsContact O-N 3.15Å
207E97Very high96Very high11 Ų1145.8 Ų45.85%0.05127%0.27CS..  trans-78.190.6169.5-70.1172.8-167.200108.9H172 Q177 G203 I204 N219 Y391H172-E207 IonicContact CE1-OE2 3.25Å; Q177-E207 PolarHBondContact NE2-OE2 3.13Å; Q177-E207 VanDerWaalsContact NE2-OE2 3.14Å; G203-E207 WeakPolarHBondContact CA-OE2 3.36Å; G203-E207 PolarHBondContact N-OE2 3.19Å; I204-E207 HydrophobicContact CD1-CG 4.42Å; I204-E207 HydrophobicContact CG1-CB 4.41Å; I204-E207 HydrophobicContact CG1-CG 3.67Å; I204-E207 WeakPolarHBondContact O-CB 3.35Å; I204-E207 PolarHBondContact O-N 3.02Å; E207-N219 PolarHBondContact O-ND2 3.3Å; E207-Y391 HydrophobicContact CB-CD1 4.33Å; E207-Y391 HydrophobicContact CB-CE1 4.27Å; E207-Y391 HydrophobicContact CG-CD1 3.69Å; E207-Y391 HydrophobicContact CG-CE1 4.06Å; E207-Y391 HydrophobicContact CG-CG 4.48Å
208K96Very high96.4Very high69 Ų6937.8 Ų37.830%0.323%0.227SC..  trans-125.420.8-16661.9-178.3171.3179.70113.5Y181 S206 L214 G215 A217Y181-K208 PolarHBondContact OH-N 3.44Å; S206-K208 WeakPolarHBondContact O-CG 3.07Å; S206-K208 PolarHBondContact O-N 2.81Å; S206-K208 VanDerWaalsContact O-N 3.15Å; K208-L214 HydrophobicContact CD-CD1 4.1Å; K208-L214 HydrophobicContact CG-CD1 3.88Å; K208-G215 WeakPolarHBondContact O-CA 3.44Å; K208-G215 PolarHBondContact O-N 2.98Å; K208-A217 WeakPolarHBondContact CA-O 3.38Å
209G96.1Very high96.5Very high5 Ų537 Ų375%0.05222%0.224CC..  trans83.2172.8-171.200000113Y181 L214Y181-G209 VanDerWaalsContact CE1-CA 3.47Å; Y181-G209 VanDerWaalsContact CE2-N 3.3Å; Y181-G209 VanDerWaalsContact CZ-CA 3.4Å; Y181-G209 VanDerWaalsContact CZ-N 3.26Å; Y181-G209 VanDerWaalsContact O-CA 3.32Å; Y181-G209 WeakPolarHBondContact O-CA 3.18Å; Y181-G209 PolarHBondContact OH-N 2.95Å; G209-L214 WeakPolarHBondContact O-CD1 3.24Å
210D95.5Very high96.5Very high92 Ų9233.4 Ų33.449%0.49221%0.209SC..  trans-144.1159.9179-170.422.8000111.4Y181 L182 I212 G213Y181-D210 HydrophobicContact CD1-CB 3.92Å; Y181-D210 HydrophobicContact CE1-CB 3.73Å; Y181-D210 PolarHBondContact O-N 2.95Å; L182-D210 HydrophobicContact CD2-CB 3.8Å; D210-I212 PolarHBondContact O-N 2.91Å; D210-G213 WeakPolarHBondContact O-CA 3.4Å; D210-G213 PolarHBondContact O-N 2.62Å
211G94.6Very high96.6Very high54 Ų5432.5 Ų32.556%0.55720%0.202SC*.G310 helixtrans56.1-126.4-174.900000111.9G213 L214G211-G213 PolarHBondContact O-N 2.98Å; G211-L214 VanDerWaalsContact O-CB 3.28Å; G211-L214 WeakPolarHBondContact O-CB 3.22Å; G211-L214 PolarHBondContact O-N 3.19Å
212I93.5Very high96.7Very high102 Ų10230.3 Ų30.352%0.52318%0.18SC..G310 helixtrans-68.4-24.2176.465.2171.9000112.6L182 D210 L214L182-I212 WeakPolarHBondContact O-CD1 3.14Å; L182-I212 WeakPolarHBondContact O-CG1 3.4Å; D210-I212 PolarHBondContact O-N 2.91Å; I212-L214 PolarHBondContact O-N 3.24Å
213G95.4Very high96.7Very high1 Ų132.6 Ų32.61%0.0119%0.19CC..G310 helixtrans-79.2-1.2176.600000113.9T183 D210 G211 G215 Y216T183-G213 VanDerWaalsContact O-CA 3.28Å; T183-G213 WeakPolarHBondContact O-CA 3.45Å; D210-G213 WeakPolarHBondContact O-CA 3.4Å; D210-G213 PolarHBondContact O-N 2.62Å; G211-G213 PolarHBondContact O-N 2.98Å; G213-G215 PolarHBondContact O-N 3.05Å; G213-G215 VanDerWaalsContact O-N 3.14Å; G213-Y216 WeakPolarHBondContact O-CB 3.38Å; G213-Y216 PolarHBondContact O-N 2.98Å
214L95.5Very high96.7Very high87 Ų8733.9 Ų33.946%0.45520%0.199SC..THydrogen-bonded Turntrans-60.6117.7178.8-177.466.9000111.6K208 G209 G211 I212K208-L214 HydrophobicContact CD-CD1 4.1Å; K208-L214 HydrophobicContact CG-CD1 3.88Å; G209-L214 WeakPolarHBondContact O-CD1 3.24Å; G211-L214 VanDerWaalsContact O-CB 3.28Å; G211-L214 WeakPolarHBondContact O-CB 3.22Å; G211-L214 PolarHBondContact O-N 3.19Å; I212-L214 PolarHBondContact O-N 3.24Å
215G96.4Very high96.8Very high1 Ų131.8 Ų31.81%0.0119%0.188CC..THydrogen-bonded Turntrans99-6.4-176.900000114.9K208 G213K208-G215 WeakPolarHBondContact O-CA 3.44Å; K208-G215 PolarHBondContact O-N 2.98Å; G213-G215 PolarHBondContact O-N 3.05Å; G213-G215 VanDerWaalsContact O-N 3.14Å
216Y97.6Very high97Very high11 Ų1129.7 Ų29.74%0.04317%0.174CC..  trans-100.28.6-175.9-63-89.2000113.8D184 M187 T188 G213 Y246 L369 P373D184-Y216 HydrophobicContact CB-CD1 4.16Å; D184-Y216 HydrophobicContact CB-CD2 3.67Å; D184-Y216 HydrophobicContact CB-CE1 3.97Å; D184-Y216 HydrophobicContact CB-CE2 3.4Å; D184-Y216 HydrophobicContact CB-CG 4.06Å; M187-Y216 CarbonylContact C-O 3.57Å; M187-Y216 WeakPolarHBondContact CA-O 3.46Å; M187-Y216 HydrophobicContact CB-CD1 4.38Å; M187-Y216 HydrophobicContact CE-CD1 3.44Å; M187-Y216 VanDerWaalsContact CE-CD1 3.44Å; M187-Y216 HydrophobicContact CE-CE1 3.88Å; M187-Y216 HydrophobicContact CE-CG 4.28Å; M187-Y216 WeakPolarHBondContact CG-O 3.43Å; T188-Y216 PolarHBondContact N-O 3.24Å; G213-Y216 WeakPolarHBondContact O-CB 3.38Å; G213-Y216 PolarHBondContact O-N 2.98Å; Y216-Y246 AromaticContact CD1-CD2 3.95Å; Y216-Y246 HydrophobicContact CD1-CD2 3.95Å; Y216-Y246 AromaticContact CD1-CE2 3.55Å; Y216-Y246 HydrophobicContact CD1-CE2 3.55Å; Y216-Y246 AromaticContact CE1-CD2 3.7Å; Y216-Y246 HydrophobicContact CE1-CD2 3.7Å; Y216-Y246 AromaticContact CE1-CE2 3.46Å; Y216-Y246 HydrophobicContact CE1-CE2 3.46Å; Y216-Y246 VanDerWaalsContact CE1-CE2 3.46Å; Y216-L369 HydrophobicContact CE1-CD2 4.32Å; Y216-L369 HydrophobicContact CE2-CD2 4.24Å; Y216-P373 HydrophobicContact CE1-CG 3.69Å; Y216-P373 VanDerWaalsContact OH-CG 3.26Å; Y216-P373 WeakPolarHBondContact OH-CG 3.2Å
217A98.3Very high97.1Very high6 Ų629 Ų295%0.0517%0.165CC..EExtended strand (participates in β ladder)trans-114.1120.7164.100000109.9Q177 T188 K208Q177-A217 HydrophobicContact CG-CB 4.01Å; T188-A217 WeakPolarHBondContact OG1-CA 3.07Å; K208-A217 WeakPolarHBondContact CA-O 3.38Å
218L98.6Very high97.2Very high4 Ų430 Ų302%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-117.5114.4-179.2-61177.2000109.6M187 T188 L189 S190 T242 V362 R365 L366M187-L218 HydrophobicContact CG-CD1 4.46Å; M187-L218 HydrophobicContact SD-CD1 3.8Å; M187-L218 HydrophobicContact SD-CG 4.45Å; T188-L218 WeakPolarHBondContact O-CB 3.15Å; T188-L218 PolarHBondContact O-N 2.87Å; L189-L218 WeakPolarHBondContact CA-O 3.33Å; L189-L218 HydrophobicContact CD1-CB 3.75Å; L189-L218 HydrophobicContact CD1-CD1 4.39Å; S190-L218 PolarHBondContact N-O 3.34Å; L218-T242 HydrophobicContact CD1-CG2 4.14Å; L218-V362 HydrophobicContact CD1-CG1 4.19Å; L218-V362 HydrophobicContact CD2-CG1 4.36Å; L218-R365 HydrophobicContact CD2-CB 4.07Å; L218-L366 HydrophobicContact CD1-CD2 3.72Å; L218-L366 HydrophobicContact CD1-CG 4.18Å
219N98.7Very high97.3Very high7 Ų732.8 Ų32.84%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-108.3127.1177.5-69.3-53.5000110.9H172 Q177 G203 E207 P221H172-N219 PolarHBondContact CD2-OD1 3.41Å; H172-N219 PolarHBondContact NE2-OD1 3.29Å; Q177-N219 PolarHBondContact OE1-ND2 3.46Å; Q177-N219 PolarHBondContact OE1-OD1 3.14Å; Q177-N219 VanDerWaalsContact OE1-OD1 3.13Å; G203-N219 WeakPolarHBondContact O-CB 3.13Å; E207-N219 PolarHBondContact O-ND2 3.3Å; N219-P221 VanDerWaalsContact C-CD 3.47Å; N219-P221 VanDerWaalsContact O-CD 3.24Å; N219-P221 WeakPolarHBondContact O-CD 3.23Å
220V98.7Very high97.4Very high0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-112.783.2174.7-170.90000107.9L189 S190 F191 H192 L222 I234 V238 C358 V362L189-V220 HydrophobicContact CD1-CG2 4.02Å; S190-V220 PolarHBondContact O-N 2.82Å; F191-V220 HydrophobicContact CD1-CB 3.61Å; F191-V220 HydrophobicContact CD1-CG1 3.68Å; F191-V220 HydrophobicContact CD1-CG2 3.85Å; F191-V220 HydrophobicContact CE1-CB 4.01Å; F191-V220 HydrophobicContact CE1-CG1 4Å; F191-V220 HydrophobicContact CE1-CG2 3.72Å; F191-V220 HydrophobicContact CG-CB 4.19Å; F191-V220 HydrophobicContact CG-CG2 4.46Å; F191-V220 HydrophobicContact CZ-CG2 4.27Å; H192-V220 PolarHBondContact N-O 2.97Å; V220-L222 HydrophobicContact CG1-CD2 4.01Å; V220-L222 HydrophobicContact CG1-CG 4.38Å; V220-L222 PolarHBondContact O-N 2.79Å; V220-I234 HydrophobicContact CG1-CD1 3.49Å; V220-I234 VanDerWaalsContact CG1-CD1 3.49Å; V220-I234 HydrophobicContact CG1-CG1 4.14Å; V220-V238 HydrophobicContact CG2-CG1 4.31Å; V220-C358 HydrophobicContact CG1-CB 4.45Å; V220-V362 HydrophobicContact CG2-CG2 4.02Å
221P98.1Very high97.6Very high8 Ų830.1 Ų30.15%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-67.9127.3175.629.3-35.5000109.1F194 P205 N219 Y354F194-P221 HydrophobicContact CB-CB 3.55Å; F194-P221 HydrophobicContact CD1-CB 4.42Å; F194-P221 HydrophobicContact CG-CB 4.11Å; P205-P221 HydrophobicContact CG-CG 3.78Å; N219-P221 VanDerWaalsContact C-CD 3.47Å; N219-P221 VanDerWaalsContact O-CD 3.24Å; N219-P221 WeakPolarHBondContact O-CD 3.23Å; P221-Y354 PolarHBondContact O-OH 3.03Å
222L98.6Very high97.8Very high0 Ų028.8 Ų28.80%015%0.152CC..EExtended strand (participates in β ladder)trans-117.6163.4177.3-59.1175000109.5F191 H192 M193 F194 V220 I226 Y231 I234 F268 L355F191-L222 HydrophobicContact CB-CD1 4.35Å; H192-L222 PolarHBondContact O-N 3.04Å; M193-L222 CarbonylContact C-O 3.58Å; M193-L222 WeakPolarHBondContact CA-O 3.08Å; F194-L222 PolarHBondContact N-O 3.03Å; V220-L222 HydrophobicContact CG1-CD2 4.01Å; V220-L222 HydrophobicContact CG1-CG 4.38Å; V220-L222 PolarHBondContact O-N 2.79Å; L222-I226 HydrophobicContact CD1-CD1 3.99Å; L222-I226 HydrophobicContact CD2-CD1 4.09Å; L222-I226 HydrophobicContact CG-CD1 4.48Å; L222-Y231 HydrophobicContact CD1-CD2 3.76Å; L222-Y231 HydrophobicContact CD1-CE2 3.59Å; L222-I234 HydrophobicContact CD2-CD1 4.34Å; L222-I234 HydrophobicContact CD2-CG2 4.33Å; L222-F268 HydrophobicContact CB-CE1 4.23Å; L222-F268 HydrophobicContact CB-CZ 3.76Å; L222-F268 HydrophobicContact CD1-CE2 4.22Å; L222-F268 HydrophobicContact CD1-CZ 4.08Å; L222-L355 HydrophobicContact CD2-CD2 3.68Å
223Q98Very high98Very high65 Ų6526.6 Ų26.630%0.30415%0.145SC..  trans-104.7167.1178.7-56-17712.900110.6F268 C349 N350 Y354Q223-F268 VanDerWaalsContact O-CE1 3.31Å; Q223-F268 WeakPolarHBondContact O-CE1 3.41Å; Q223-C349 HydrophobicContact CB-CB 3.73Å; Q223-C349 PolarHBondContact OE1-O 2.81Å; Q223-N350 PolarHBondContact N-OD1 2.8Å; Q223-N350 PolarHBondContact O-ND2 3.14Å; Q223-Y354 HydrophobicContact CG-CD1 4.49Å; Q223-Y354 HydrophobicContact CG-CE1 3.88Å
224S97.6Very high98.2Very high27 Ų2726.6 Ų26.619%0.18915%0.145CC..THydrogen-bonded Turntrans-57.9153.9178.557.60000113.1I226 C349 N350S224-I226 VanDerWaalsContact C-N 3.29Å; S224-I226 PolarHBondContact O-N 3.26Å; S224-C349 PolarHBondContact O-N 2.98Å; S224-C349 PolarHBondContact OG-SG 2.74Å; S224-N350 PolarHBondContact O-ND2 3.35Å
225G98Very high98.3Very high0 Ų022.4 Ų22.40%012%0.123CC..THydrogen-bonded Turntrans71.712.9172.900000115.7N227 Y267 N269 N348G225-N227 PolarHBondContact O-N 3.15Å; G225-Y267 PolarHBondContact N-O 2.95Å; G225-N269 VanDerWaalsContact C-ND2 3.34Å; G225-N269 WeakPolarHBondContact CA-ND2 3.39Å; G225-N269 PolarHBondContact O-ND2 2.89Å; G225-N348 WeakPolarHBondContact O-CA 3.29Å; G225-N348 WeakPolarHBondContact O-CB 3.45Å; G225-N348 PolarHBondContact O-ND2 3.06Å
226I98.6Very high98.5Very high0 Ų025 Ų250%013%0.134CC..  trans-56.2132.5173.3-158.3168.4000110L222 S224 M230 Y231 F268 N269 L270 N350 L355L222-I226 HydrophobicContact CD1-CD1 3.99Å; L222-I226 HydrophobicContact CD2-CD1 4.09Å; L222-I226 HydrophobicContact CG-CD1 4.48Å; S224-I226 VanDerWaalsContact C-N 3.29Å; S224-I226 PolarHBondContact O-N 3.26Å; I226-M230 HydrophobicContact CD1-CB 4.29Å; I226-M230 HydrophobicContact CG1-CB 3.81Å; I226-Y231 HydrophobicContact CD1-CD2 4.12Å; I226-Y231 HydrophobicContact CG2-CD2 3.83Å; I226-F268 HydrophobicContact CG2-CB 4.13Å; I226-F268 HydrophobicContact CG2-CD1 3.71Å; I226-F268 HydrophobicContact CG2-CD2 3.72Å; I226-F268 HydrophobicContact CG2-CE1 3.99Å; I226-F268 HydrophobicContact CG2-CE2 4.04Å; I226-F268 HydrophobicContact CG2-CG 3.57Å; I226-F268 HydrophobicContact CG2-CZ 4.17Å; I226-N269 CarbonylContact O-C 3.55Å; I226-N269 WeakPolarHBondContact O-CA 3.37Å; I226-N269 WeakPolarHBondContact O-CB 3.45Å; I226-N269 PolarHBondContact O-N 2.89Å; I226-L270 HydrophobicContact CG2-CD2 4.44Å; I226-N350 WeakPolarHBondContact CB-ND2 3.36Å; I226-N350 HydrophobicContact CD1-CB 4.45Å; I226-N350 HydrophobicContact CG1-CB 4.41Å; I226-L355 HydrophobicContact CD1-CD1 4.44Å; I226-L355 HydrophobicContact CD1-CD2 4.19Å
227N98.5Very high98.5Very high60 Ų6026.4 Ų26.432%0.32115%0.145SC..BIsolated β-bridgetrans-101.4173.9176.8666000110.8G225 D229 M230 Y231G225-N227 PolarHBondContact O-N 3.15Å; N227-D229 PolarHBondContact O-N 3.2Å; N227-M230 PolarHBondContact O-N 3.2Å; N227-M230 VanDerWaalsContact OD1-CB 3.28Å; N227-M230 WeakPolarHBondContact OD1-CB 3.43Å; N227-M230 VanDerWaalsContact OD1-CG 3.26Å; N227-M230 WeakPolarHBondContact OD1-CG 3.34Å; N227-M230 PolarHBondContact OD1-N 2.91Å; N227-Y231 WeakPolarHBondContact O-CB 3.47Å; N227-Y231 PolarHBondContact O-N 3.39Å
228D98.8Very high98.5Very high31 Ų3126.1 Ų26.117%0.16614%0.142CC..Hα-helixtrans-51.7-55.8-176.7-60-19.6000113.1M230 Y231 H232 L270 T271 G274D228-M230 VanDerWaalsContact C-N 3.3Å; D228-M230 PolarHBondContact O-N 3.09Å; D228-Y231 PolarHBondContact O-N 3.49Å; D228-H232 WeakPolarHBondContact O-CB 3.29Å; D228-H232 PolarHBondContact O-CD2 2.76Å; D228-H232 PolarHBondContact O-N 2.96Å; D228-H232 PolarHBondContact O-ND1 3.22Å; D228-L270 VanDerWaalsContact OD1-CA 3.24Å; D228-L270 WeakPolarHBondContact OD1-CA 3.45Å; D228-T271 PolarHBondContact OD1-N 3.39Å; D228-T271 WeakPolarHBondContact OD2-CB 3.32Å; D228-T271 VanDerWaalsContact OD2-CG2 3.28Å; D228-T271 WeakPolarHBondContact OD2-CG2 3.3Å; D228-T271 PolarHBondContact OD2-OG1 3.05Å; D228-G274 VanDerWaalsContact CG-CA 3.47Å; D228-G274 WeakPolarHBondContact OD1-CA 3.24Å
229D98.6Very high98.5Very high128 Ų12826 Ų2668%0.68414%0.141SC*.Hα-helixtrans-56.2-44.9-176.5-69.9-24.1000112.2N227 S233N227-D229 PolarHBondContact O-N 3.2Å; D229-S233 WeakPolarHBondContact O-CB 3.45Å; D229-S233 PolarHBondContact O-N 2.9Å
230M98.6Very high98.6Very high40 Ų4027.7 Ų27.720%0.19716%0.156CC..Hα-helixtrans-72.8-39.5-179.4-68.9-166.271.100111.9I226 N227 D228 S233 N348 N350 L355I226-M230 HydrophobicContact CD1-CB 4.29Å; I226-M230 HydrophobicContact CG1-CB 3.81Å; N227-M230 PolarHBondContact O-N 3.2Å; N227-M230 VanDerWaalsContact OD1-CB 3.28Å; N227-M230 WeakPolarHBondContact OD1-CB 3.43Å; N227-M230 VanDerWaalsContact OD1-CG 3.26Å; N227-M230 WeakPolarHBondContact OD1-CG 3.34Å; N227-M230 PolarHBondContact OD1-N 2.91Å; D228-M230 VanDerWaalsContact C-N 3.3Å; D228-M230 PolarHBondContact O-N 3.09Å; M230-S233 PolarHBondContact O-N 3.3Å; M230-S233 PolarHBondContact O-OG 3.08Å; M230-N348 PolarHBondContact SD-ND2 2.97Å; M230-N350 HydrophobicContact CE-CB 4.09Å; M230-N350 WeakPolarHBondContact CE-O 3.38Å; M230-L355 HydrophobicContact CB-CD1 3.87Å; M230-L355 HydrophobicContact CE-CD1 3.45Å; M230-L355 VanDerWaalsContact CE-CD1 3.45Å; M230-L355 HydrophobicContact CE-CG 4.26Å; M230-L355 HydrophobicContact CG-CD1 4.49Å; M230-L355 WeakPolarHBondContact O-CD1 3.21Å
231Y98.9Very high98.5Very high0 Ų029.1 Ų29.10%016%0.163CC..Hα-helixtrans-61.6-45.7174.8-165.7-84.3000110.7I168 F191 L222 I226 N227 D228 S233 I234 F235 F268 L270 C278I168-Y231 WeakPolarHBondContact CG2-OH 3.16Å; F191-Y231 HydrophobicContact CB-CE2 4.25Å; F191-Y231 WeakPolarHBondContact CB-OH 3.23Å; L222-Y231 HydrophobicContact CD1-CD2 3.76Å; L222-Y231 HydrophobicContact CD1-CE2 3.59Å; I226-Y231 HydrophobicContact CD1-CD2 4.12Å; I226-Y231 HydrophobicContact CG2-CD2 3.83Å; N227-Y231 WeakPolarHBondContact O-CB 3.47Å; N227-Y231 PolarHBondContact O-N 3.39Å; D228-Y231 PolarHBondContact O-N 3.49Å; Y231-S233 VanDerWaalsContact C-N 3.31Å; Y231-S233 PolarHBondContact O-N 3.38Å; Y231-I234 WeakPolarHBondContact O-CG2 3.22Å; Y231-I234 PolarHBondContact O-N 3.09Å; Y231-F235 HydrophobicContact CD1-CB 3.91Å; Y231-F235 HydrophobicContact CD1-CG 4.38Å; Y231-F235 HydrophobicContact CE1-CB 3.91Å; Y231-F235 AromaticContact CE1-CD2 3.8Å; Y231-F235 HydrophobicContact CE1-CD2 3.8Å; Y231-F235 AromaticContact CE1-CG 4Å; Y231-F235 HydrophobicContact CE1-CG 4Å; Y231-F235 WeakPolarHBondContact O-CB 3.03Å; Y231-F235 PolarHBondContact O-N 3.26Å; Y231-F268 HydrophobicContact CE2-CD2 4.36Å; Y231-F268 HydrophobicContact CE2-CE2 4.01Å; Y231-L270 HydrophobicContact CD1-CD1 4.25Å; Y231-L270 HydrophobicContact CD2-CD1 3.95Å; Y231-L270 HydrophobicContact CD2-CD2 4.01Å; Y231-L270 HydrophobicContact CD2-CG 4.47Å; Y231-L270 HydrophobicContact CE1-CD1 4.33Å; Y231-L270 HydrophobicContact CE2-CD1 4.02Å; Y231-L270 HydrophobicContact CG-CD1 4.06Å; Y231-L270 HydrophobicContact CG-CD2 3.82Å; Y231-C278 VanDerWaalsContact CE1-SG 3.57Å
232H98.8Very high98.6Very high27 Ų2728.7 Ų28.713%0.12516%0.161CC..Hα-helixtrans-65.8-33177.8-60.3165.4000112.9D228 I234 K236 G274D228-H232 WeakPolarHBondContact O-CB 3.29Å; D228-H232 PolarHBondContact O-CD2 2.76Å; D228-H232 PolarHBondContact O-N 2.96Å; D228-H232 PolarHBondContact O-ND1 3.22Å; H232-I234 PolarHBondContact O-N 2.56Å; H232-K236 HydrophobicContact CB-CD 4.35Å; H232-K236 PolarHBondContact O-N 2.97Å; H232-G274 PolarHBondContact NE2-O 3.05Å
233S98.4Very high98.6Very high55 Ų5529.8 Ų29.839%0.38517%0.167SC..Hα-helixtrans-61.9-22.7178.781.30000113.7D229 M230 Y231 P237D229-S233 WeakPolarHBondContact O-CB 3.45Å; D229-S233 PolarHBondContact O-N 2.9Å; M230-S233 PolarHBondContact O-N 3.3Å; M230-S233 PolarHBondContact O-OG 3.08Å; Y231-S233 VanDerWaalsContact C-N 3.31Å; Y231-S233 PolarHBondContact O-N 3.38Å; S233-P237 WeakPolarHBondContact O-CG 3.49Å
234I98.8Very high98.5Very high1 Ų133.5 Ų33.51%0.00518%0.178CC..Hα-helixtrans-107.4-42.7175-171.4165000112.4V220 L222 Y231 H232 P237 V238 L355 C358 R359V220-I234 HydrophobicContact CG1-CD1 3.49Å; V220-I234 VanDerWaalsContact CG1-CD1 3.49Å; V220-I234 HydrophobicContact CG1-CG1 4.14Å; L222-I234 HydrophobicContact CD2-CD1 4.34Å; L222-I234 HydrophobicContact CD2-CG2 4.33Å; Y231-I234 WeakPolarHBondContact O-CG2 3.22Å; Y231-I234 PolarHBondContact O-N 3.09Å; H232-I234 PolarHBondContact O-N 2.56Å; I234-P237 WeakPolarHBondContact O-CD 3.43Å; I234-V238 HydrophobicContact CG1-CG2 3.95Å; I234-V238 VanDerWaalsContact O-CB 3.27Å; I234-V238 WeakPolarHBondContact O-CB 3.46Å; I234-V238 VanDerWaalsContact O-CG2 3.22Å; I234-V238 WeakPolarHBondContact O-CG2 3.29Å; I234-V238 PolarHBondContact O-N 2.8Å; I234-L355 HydrophobicContact CD1-CB 4.47Å; I234-L355 HydrophobicContact CD1-CD2 4.21Å; I234-L355 HydrophobicContact CG2-CD2 4.34Å; I234-C358 HydrophobicContact CD1-CB 3.66Å; I234-R359 HydrophobicContact CG1-CB 4.37Å
235F98.9Very high98.5Very high0 Ų033.2 Ų33.20%018%0.176CC..Hα-helixtrans-57.2-56.7-177.4178.2-94.2000112I166 I168 F191 Y231 V238 V239 C278 F281 V282I166-F235 HydrophobicContact CG2-CE2 4.01Å; I166-F235 HydrophobicContact CG2-CZ 4.36Å; I168-F235 HydrophobicContact CG2-CD2 4.07Å; I168-F235 HydrophobicContact CG2-CE2 3.39Å; I168-F235 HydrophobicContact CG2-CZ 4.13Å; F191-F235 HydrophobicContact CD1-CD2 4.35Å; F191-F235 AromaticContact CD2-CD2 3.77Å; F191-F235 HydrophobicContact CD2-CD2 3.77Å; F191-F235 HydrophobicContact CD2-CE2 4.05Å; F191-F235 HydrophobicContact CE1-CB 4.31Å; F191-F235 HydrophobicContact CE1-CD2 4.16Å; F191-F235 AromaticContact CE2-CD2 3.53Å; F191-F235 HydrophobicContact CE2-CD2 3.53Å; F191-F235 AromaticContact CE2-CE2 3.8Å; F191-F235 HydrophobicContact CE2-CE2 3.8Å; F191-F235 HydrophobicContact CG-CD2 4.17Å; F191-F235 HydrophobicContact CZ-CB 4.47Å; F191-F235 AromaticContact CZ-CD2 3.74Å; F191-F235 HydrophobicContact CZ-CD2 3.74Å; F191-F235 HydrophobicContact CZ-CE2 4.39Å; F191-F235 HydrophobicContact CZ-CG 4.41Å; Y231-F235 HydrophobicContact CD1-CB 3.91Å; Y231-F235 HydrophobicContact CD1-CG 4.38Å; Y231-F235 HydrophobicContact CE1-CB 3.91Å; Y231-F235 AromaticContact CE1-CD2 3.8Å; Y231-F235 HydrophobicContact CE1-CD2 3.8Å; Y231-F235 AromaticContact CE1-CG 4Å; Y231-F235 HydrophobicContact CE1-CG 4Å; Y231-F235 WeakPolarHBondContact O-CB 3.03Å; Y231-F235 PolarHBondContact O-N 3.26Å; F235-V238 PolarHBondContact O-N 3.45Å; F235-V239 HydrophobicContact CD1-CG2 4.38Å; F235-V239 HydrophobicContact CD2-CG2 4.09Å; F235-V239 HydrophobicContact CE1-CG2 4.09Å; F235-V239 HydrophobicContact CE2-CG2 3.77Å; F235-V239 HydrophobicContact CG-CG2 4.38Å; F235-V239 HydrophobicContact CZ-CG2 3.78Å; F235-V239 WeakPolarHBondContact O-CB 3.4Å; F235-V239 WeakPolarHBondContact O-CG2 3.46Å; F235-V239 PolarHBondContact O-N 3.06Å; F235-C278 HydrophobicContact CD1-CB 4.08Å; F235-C278 HydrophobicContact CE1-CB 3.56Å; F235-C278 HydrophobicContact CE2-CB 4.19Å; F235-C278 HydrophobicContact CZ-CB 3.62Å; F235-F281 HydrophobicContact CD1-CD1 4.39Å; F235-F281 HydrophobicContact CE1-CB 4.45Å; F235-F281 AromaticContact CE1-CD1 3.97Å; F235-F281 HydrophobicContact CE1-CD1 3.97Å; F235-V282 HydrophobicContact CE1-CG2 4.17Å; F235-V282 HydrophobicContact CZ-CG2 3.79Å
236K98.9Very high98.5Very high56 Ų5633.3 Ų33.324%0.24318%0.177CC..Hα-helixtrans-63.1-48.7-173.8-59.4174.9173.9173.30112H232 V238 A240 E277 F281H232-K236 HydrophobicContact CB-CD 4.35Å; H232-K236 PolarHBondContact O-N 2.97Å; K236-V238 PolarHBondContact O-N 2.75Å; K236-A240 VanDerWaalsContact O-CB 3.26Å; K236-A240 WeakPolarHBondContact O-CB 3.24Å; K236-A240 PolarHBondContact O-N 3.47Å; K236-E277 WeakPolarHBondContact CE-OE1 3.48Å; K236-E277 IonicContact NZ-OE1 2.76Å; K236-E277 PolarHBondContact NZ-OE1 2.56Å; K236-F281 HydrophobicContact CB-CD1 4.24Å; K236-F281 HydrophobicContact CB-CD2 4.18Å; K236-F281 HydrophobicContact CB-CE1 4.1Å; K236-F281 HydrophobicContact CB-CE2 4.04Å; K236-F281 HydrophobicContact CB-CG 4.28Å; K236-F281 HydrophobicContact CB-CZ 4Å; K236-F281 HydrophobicContact CD-CD2 4.16Å; K236-F281 HydrophobicContact CD-CG 4.41Å; K236-F281 HydrophobicContact CG-CB 4.31Å; K236-F281 HydrophobicContact CG-CD1 4.08Å; K236-F281 HydrophobicContact CG-CD2 3.92Å; K236-F281 HydrophobicContact CG-CE1 4.44Å; K236-F281 HydrophobicContact CG-CE2 4.3Å; K236-F281 HydrophobicContact CG-CG 3.81Å; K236-F281 WeakPolarHBondContact O-CE1 3.24Å; K236-F281 WeakPolarHBondContact O-CZ 3.43Å
237P98.7Very high98.4Very high40 Ų4038.8 Ų38.826%0.2620%0.202SC..Hα-helixtrans-63.8-39.1177.7-24.737.2000113.6S233 I234 E241 F363S233-P237 WeakPolarHBondContact O-CG 3.49Å; I234-P237 WeakPolarHBondContact O-CD 3.43Å; P237-E241 WeakPolarHBondContact O-CB 3.31Å; P237-E241 PolarHBondContact O-N 2.94Å; P237-F363 HydrophobicContact CB-CZ 4.04Å
238V98.8Very high98.4Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-65.9-49.2178.4169.10000111L189 F191 V220 I234 F235 K236 A240 E241 T242 R359 V362 F363L189-V238 HydrophobicContact CD1-CG1 3.73Å; L189-V238 HydrophobicContact CD2-CG1 4.1Å; F191-V238 HydrophobicContact CE1-CB 4.09Å; F191-V238 HydrophobicContact CE1-CG1 4.1Å; F191-V238 HydrophobicContact CZ-CB 3.87Å; F191-V238 HydrophobicContact CZ-CG1 3.66Å; V220-V238 HydrophobicContact CG2-CG1 4.31Å; I234-V238 HydrophobicContact CG1-CG2 3.95Å; I234-V238 VanDerWaalsContact O-CB 3.27Å; I234-V238 WeakPolarHBondContact O-CB 3.46Å; I234-V238 VanDerWaalsContact O-CG2 3.22Å; I234-V238 WeakPolarHBondContact O-CG2 3.29Å; I234-V238 PolarHBondContact O-N 2.8Å; F235-V238 PolarHBondContact O-N 3.45Å; K236-V238 PolarHBondContact O-N 2.75Å; V238-A240 PolarHBondContact O-N 2.76Å; V238-E241 PolarHBondContact O-N 2.91Å; V238-T242 WeakPolarHBondContact O-CB 3.42Å; V238-T242 PolarHBondContact O-N 3.24Å; V238-T242 PolarHBondContact O-OG1 3.37Å; V238-R359 HydrophobicContact CG2-CG 4.28Å; V238-V362 HydrophobicContact CG1-CG1 3.79Å; V238-V362 HydrophobicContact CG2-CB 4.47Å; V238-V362 HydrophobicContact CG2-CG1 4.43Å; V238-F363 HydrophobicContact CG2-CE1 4.37Å
239V98.9Very high98.4Very high0 Ų037.9 Ų37.90%020%0.196CC..Hα-helixtrans-61.3-44.3177.7171.50000111.1I166 L189 F191 F235 E241 T242 V243 F281 V282 L285I166-V239 HydrophobicContact CD1-CG1 3.92Å; I166-V239 HydrophobicContact CD1-CG2 4.31Å; I166-V239 HydrophobicContact CG2-CG2 4.44Å; L189-V239 HydrophobicContact CD2-CG2 3.84Å; F191-V239 HydrophobicContact CE2-CG2 3.98Å; F191-V239 HydrophobicContact CZ-CG2 4.03Å; F235-V239 HydrophobicContact CD1-CG2 4.38Å; F235-V239 HydrophobicContact CD2-CG2 4.09Å; F235-V239 HydrophobicContact CE1-CG2 4.09Å; F235-V239 HydrophobicContact CE2-CG2 3.77Å; F235-V239 HydrophobicContact CG-CG2 4.38Å; F235-V239 HydrophobicContact CZ-CG2 3.78Å; F235-V239 WeakPolarHBondContact O-CB 3.4Å; F235-V239 WeakPolarHBondContact O-CG2 3.46Å; F235-V239 PolarHBondContact O-N 3.06Å; V239-E241 PolarHBondContact O-N 3.06Å; V239-T242 PolarHBondContact O-N 2.97Å; V239-V243 HydrophobicContact CG1-CG2 4.33Å; V239-V243 WeakPolarHBondContact O-CB 2.89Å; V239-V243 VanDerWaalsContact O-CG2 3.24Å; V239-V243 WeakPolarHBondContact O-CG2 3.26Å; V239-V243 PolarHBondContact O-N 3.26Å; V239-F281 HydrophobicContact CB-CD1 4.36Å; V239-F281 HydrophobicContact CB-CE1 3.85Å; V239-F281 HydrophobicContact CG1-CD1 4.17Å; V239-F281 HydrophobicContact CG1-CE1 3.75Å; V239-V282 HydrophobicContact CG1-CG2 4.38Å; V239-L285 HydrophobicContact CG1-CD1 4.04Å
240A98.8Very high98.4Very high43 Ų4331.8 Ų31.836%0.35516%0.163SC..Hα-helixtrans-57.9-48.4177.700000112.4K236 V238 V243 R244 F281K236-A240 VanDerWaalsContact O-CB 3.26Å; K236-A240 WeakPolarHBondContact O-CB 3.24Å; K236-A240 PolarHBondContact O-N 3.47Å; V238-A240 PolarHBondContact O-N 2.76Å; A240-V243 PolarHBondContact O-N 3.23Å; A240-R244 WeakPolarHBondContact O-CB 3.28Å; A240-R244 PolarHBondContact O-N 3.34Å; A240-F281 HydrophobicContact CB-CZ 4.09Å
241E98.4Very high98.4Very high30 Ų3029.9 Ų29.914%0.1415%0.154CC..Hα-helixtrans-68.2-38.3-179-173.369.2173.800111.3P237 V238 V239 R244 C245 F363 L366P237-E241 WeakPolarHBondContact O-CB 3.31Å; P237-E241 PolarHBondContact O-N 2.94Å; V238-E241 PolarHBondContact O-N 2.91Å; V239-E241 PolarHBondContact O-N 3.06Å; E241-R244 VanDerWaalsContact CD-NH2 3.33Å; E241-R244 PolarHBondContact O-N 2.96Å; E241-R244 IonicContact OE1-CZ 3.34Å; E241-R244 IonicContact OE1-NE 3.45Å; E241-R244 IonicContact OE1-NH2 3.54Å; E241-R244 PolarHBondContact OE1-NH2 2.94Å; E241-R244 IonicContact OE2-CZ 2.86Å; E241-R244 IonicContact OE2-NE 3.56Å; E241-R244 PolarHBondContact OE2-NE 3.05Å; E241-R244 IonicContact OE2-NH2 3.13Å; E241-R244 PolarHBondContact OE2-NH2 3.06Å; E241-C245 WeakPolarHBondContact O-CB 3.49Å; E241-C245 PolarHBondContact O-N 2.75Å; E241-C245 PolarHBondContact O-SG 3.46Å; E241-F363 HydrophobicContact CB-CD1 3.96Å; E241-F363 HydrophobicContact CB-CE1 3.45Å; E241-F363 VanDerWaalsContact CB-CE1 3.45Å; E241-F363 HydrophobicContact CB-CZ 3.9Å; E241-F363 HydrophobicContact CG-CD1 3.78Å; E241-F363 HydrophobicContact CG-CE1 3.77Å; E241-F363 HydrophobicContact CG-CG 4.24Å; E241-F363 HydrophobicContact CG-CZ 4.24Å; E241-L366 HydrophobicContact CB-CD1 3.95Å; E241-L366 HydrophobicContact CG-CB 4.49Å; E241-L366 HydrophobicContact CG-CD1 3.6Å
242T98.7Very high98.4Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-59.9-49174.6-64.60000110.9L164 M187 L189 L218 V238 V239 R244 C245 Y246 L366L164-T242 HydrophobicContact CD1-CG2 3.66Å; L164-T242 HydrophobicContact CD2-CG2 3.92Å; L164-T242 HydrophobicContact CG-CG2 4.47Å; M187-T242 HydrophobicContact SD-CG2 3.51Å; M187-T242 VanDerWaalsContact SD-CG2 3.51Å; L189-T242 HydrophobicContact CD2-CG2 4.35Å; L218-T242 HydrophobicContact CD1-CG2 4.14Å; V238-T242 WeakPolarHBondContact O-CB 3.42Å; V238-T242 PolarHBondContact O-N 3.24Å; V238-T242 PolarHBondContact O-OG1 3.37Å; V239-T242 PolarHBondContact O-N 2.97Å; T242-R244 VanDerWaalsContact C-N 3.33Å; T242-R244 PolarHBondContact O-N 3.28Å; T242-C245 PolarHBondContact O-N 3.23Å; T242-Y246 WeakPolarHBondContact O-CB 3.42Å; T242-Y246 PolarHBondContact O-N 3.02Å; T242-L366 HydrophobicContact CG2-CD2 4.49Å
243V98.6Very high98.4Very high22 Ų2228.6 Ų28.613%0.13315%0.148CC..Hα-helixtrans-62.3-41.1177.8170.90000111.1L164 V239 A240 C245 Q247 P248 L285 I287L164-V243 HydrophobicContact CD2-CG2 3.84Å; V239-V243 HydrophobicContact CG1-CG2 4.33Å; V239-V243 WeakPolarHBondContact O-CB 2.89Å; V239-V243 VanDerWaalsContact O-CG2 3.24Å; V239-V243 WeakPolarHBondContact O-CG2 3.26Å; V239-V243 PolarHBondContact O-N 3.26Å; A240-V243 PolarHBondContact O-N 3.23Å; V243-C245 PolarHBondContact O-N 2.95Å; V243-Q247 VanDerWaalsContact O-CA 3.27Å; V243-Q247 WeakPolarHBondContact O-CA 3.46Å; V243-Q247 PolarHBondContact O-N 2.96Å; V243-P248 HydrophobicContact CG2-CG 4.28Å; V243-L285 HydrophobicContact CG2-CD1 3.71Å; V243-I287 HydrophobicContact CG1-CD1 3.69Å
244R97.3Very high98.4Very high143 Ų14326 Ų2654%0.5413%0.13SC..Hα-helixtrans-61.3-43.8177.4-169.2-16967.768.5-2.7112.5A240 E241 T242A240-R244 WeakPolarHBondContact O-CB 3.28Å; A240-R244 PolarHBondContact O-N 3.34Å; E241-R244 VanDerWaalsContact CD-NH2 3.33Å; E241-R244 PolarHBondContact O-N 2.96Å; E241-R244 IonicContact OE1-CZ 3.34Å; E241-R244 IonicContact OE1-NE 3.45Å; E241-R244 IonicContact OE1-NH2 3.54Å; E241-R244 PolarHBondContact OE1-NH2 2.94Å; E241-R244 IonicContact OE2-CZ 2.86Å; E241-R244 IonicContact OE2-NE 3.56Å; E241-R244 PolarHBondContact OE2-NE 3.05Å; E241-R244 IonicContact OE2-NH2 3.13Å; E241-R244 PolarHBondContact OE2-NH2 3.06Å; T242-R244 VanDerWaalsContact C-N 3.33Å; T242-R244 PolarHBondContact O-N 3.28Å
245C97.4Very high98.5Very high22 Ų2226 Ų2615%0.14913%0.129CC..Hα-helixtrans-81.4-42.4-176.3-72.60000113E241 T242 V243 L366E241-C245 WeakPolarHBondContact O-CB 3.49Å; E241-C245 PolarHBondContact O-N 2.75Å; E241-C245 PolarHBondContact O-SG 3.46Å; T242-C245 PolarHBondContact O-N 3.23Å; V243-C245 PolarHBondContact O-N 2.95Å; C245-L366 HydrophobicContact CB-CB 4.34Å; C245-L366 HydrophobicContact CB-CD2 4.19Å
246Y97.5Very high98.4Very high1 Ų126 Ų260%0.00413%0.129CC..Hα-helixtrans-88.8-25.5-174.2-173.8-122.2000113.4R162 L164 D184 R185 V186 M187 Y216 T242 P248 A372 P373R162-Y246 HydrophobicContact CB-CE1 3.86Å; R162-Y246 HydrophobicContact CB-CE2 4.45Å; R162-Y246 VanDerWaalsContact CD-O 3.31Å; R162-Y246 WeakPolarHBondContact CD-O 3.26Å; R162-Y246 HydrophobicContact CG-CE1 4.49Å; R162-Y246 HydrophobicContact CG-CE2 4.2Å; R162-Y246 PolarHBondContact NE-O 3.16Å; R162-Y246 VanDerWaalsContact NE-O 3.11Å; L164-Y246 HydrophobicContact CB-CD1 4.36Å; D184-Y246 VanDerWaalsContact O-CE2 3.32Å; D184-Y246 WeakPolarHBondContact O-CE2 3.21Å; D184-Y246 PolarHBondContact O-OH 3.49Å; R185-Y246 PolarHBondContact O-OH 3.27Å; V186-Y246 PolarHBondContact N-OH 2.91Å; M187-Y246 HydrophobicContact CB-CD1 3.74Å; M187-Y246 HydrophobicContact CB-CD2 4.28Å; M187-Y246 HydrophobicContact CB-CE1 3.55Å; M187-Y246 HydrophobicContact CB-CE2 4.12Å; M187-Y246 HydrophobicContact CB-CG 4.1Å; M187-Y246 HydrophobicContact CE-CD1 4.5Å; M187-Y246 HydrophobicContact CE-CD2 3.52Å; M187-Y246 HydrophobicContact CE-CE2 4.18Å; M187-Y246 HydrophobicContact CE-CG 3.7Å; M187-Y246 PolarHBondContact N-OH 3.34Å; M187-Y246 HydrophobicContact SD-CD1 4.27Å; M187-Y246 HydrophobicContact SD-CD2 4.31Å; M187-Y246 HydrophobicContact SD-CG 3.91Å; Y216-Y246 AromaticContact CD1-CD2 3.95Å; Y216-Y246 HydrophobicContact CD1-CD2 3.95Å; Y216-Y246 AromaticContact CD1-CE2 3.55Å; Y216-Y246 HydrophobicContact CD1-CE2 3.55Å; Y216-Y246 AromaticContact CE1-CD2 3.7Å; Y216-Y246 HydrophobicContact CE1-CD2 3.7Å; Y216-Y246 AromaticContact CE1-CE2 3.46Å; Y216-Y246 HydrophobicContact CE1-CE2 3.46Å; Y216-Y246 VanDerWaalsContact CE1-CE2 3.46Å; T242-Y246 WeakPolarHBondContact O-CB 3.42Å; T242-Y246 PolarHBondContact O-N 3.02Å; Y246-P248 HydrophobicContact CD1-CB 3.99Å; Y246-P248 HydrophobicContact CD1-CG 4.41Å; Y246-P248 HydrophobicContact CE1-CB 4.26Å; Y246-A372 WeakPolarHBondContact O-CB 3.37Å; Y246-P373 HydrophobicContact CE2-CG 4.17Å
247Q97.5Very high98.4Very high116 Ų11623.3 Ų23.354%0.54212%0.118SC..  trans50.657.7-179.4-56.7-177.8-33.500112.4R162 V243 A372R162-Q247 VanDerWaalsContact CZ-O 3.26Å; R162-Q247 PolarHBondContact NE-O 3.45Å; R162-Q247 PolarHBondContact NH2-O 2.97Å; V243-Q247 VanDerWaalsContact O-CA 3.27Å; V243-Q247 WeakPolarHBondContact O-CA 3.46Å; V243-Q247 PolarHBondContact O-N 2.96Å; Q247-A372 HydrophobicContact CB-CB 4.16Å; Q247-A372 HydrophobicContact CG-CB 4.32Å
248P98.1Very high98.4Very high9 Ų921.4 Ų21.46%0.05811%0.106CC..  trans-63146.7-179.327.1-32.7000111.5L164 V243 Y246 I251 I287L164-P248 HydrophobicContact CB-CB 3.55Å; L164-P248 HydrophobicContact CB-CG 3.75Å; L164-P248 HydrophobicContact CD2-CG 4Å; V243-P248 HydrophobicContact CG2-CG 4.28Å; Y246-P248 HydrophobicContact CD1-CB 3.99Å; Y246-P248 HydrophobicContact CD1-CG 4.41Å; Y246-P248 HydrophobicContact CE1-CB 4.26Å; P248-I251 HydrophobicContact CG-CG1 4.47Å; P248-I287 HydrophobicContact CG-CD1 4Å
249E98.1Very high98.4Very high63 Ų6321.4 Ų21.429%0.29411%0.106SC..SBendtrans-96.4-17.8177.4-68.4168.5-16500112H160 S161 R162H160-E249 WeakPolarHBondContact CA-OE2 3.45Å; H160-E249 HydrophobicContact CB-CB 4.01Å; H160-E249 PolarHBondContact ND1-O 2.9Å; S161-E249 PolarHBondContact N-OE2 2.97Å; R162-E249 IonicContact CZ-OE1 2.66Å; R162-E249 IonicContact NH1-OE1 3.94Å; R162-E249 PolarHBondContact NH1-OE1 3.21Å; R162-E249 VanDerWaalsContact NH1-OE1 3.13Å; R162-E249 IonicContact NH2-OE1 3.59Å; R162-E249 PolarHBondContact NH2-OE1 2.99Å; R162-E249 PolarHBondContact O-N 3.28Å
250C98.6Very high98.4Very high0 Ų021.7 Ų21.70%011%0.107CC..EExtended strand (participates in β ladder)trans-147.3149171.4-169.80000109.1I156 H160 R162 V163 L164 P288I156-C250 HydrophobicContact CG2-CB 3.65Å; H160-C250 HydrophobicContact CB-CB 4.37Å; R162-C250 PolarHBondContact O-N 3.09Å; V163-C250 WeakPolarHBondContact CA-O 3.28Å; V163-C250 HydrophobicContact CG2-CB 4.48Å; L164-C250 PolarHBondContact N-O 2.98Å; C250-P288 CarbonylContact C-O 3.44Å; C250-P288 VanDerWaalsContact CA-O 3.29Å; C250-P288 WeakPolarHBondContact CA-O 3.46Å; C250-P288 PolarHBondContact SG-O 3.4Å; C250-P288 VanDerWaalsContact SG-O 3.33Å
251I98.9Very high98.3Very high0 Ų019.7 Ų19.70%09%0.091CC..EExtended strand (participates in β ladder)trans-111141.9172.9-65.9175000109.3L164 I166 P248 L253 V282 L285 I287 P288 M289 L290L164-I251 HydrophobicContact CB-CG1 4.33Å; L164-I251 CarbonylContact O-C 3.54Å; L164-I251 VanDerWaalsContact O-CA 3.28Å; L164-I251 WeakPolarHBondContact O-CA 3.49Å; I166-I251 HydrophobicContact CD1-CD1 4.48Å; I166-I251 HydrophobicContact CD1-CG2 3.98Å; I166-I251 HydrophobicContact CG1-CG2 4.2Å; P248-I251 HydrophobicContact CG-CG1 4.47Å; I251-L253 HydrophobicContact CG2-CB 4.35Å; I251-V282 HydrophobicContact CD1-CG1 3.82Å; I251-V282 HydrophobicContact CG2-CG1 3.97Å; I251-L285 HydrophobicContact CD1-CD1 3.98Å; I251-I287 HydrophobicContact CD1-CB 4.06Å; I251-I287 HydrophobicContact CD1-CD1 4.19Å; I251-I287 HydrophobicContact CD1-CG2 4.25Å; I251-I287 HydrophobicContact CG1-CB 4.33Å; I251-I287 HydrophobicContact CG1-CG2 3.98Å; I251-P288 PolarHBondContact N-O 2.91Å; I251-M289 HydrophobicContact CB-CB 4.1Å; I251-M289 CarbonylContact O-C 3.59Å; I251-M289 WeakPolarHBondContact O-CA 3.44Å; I251-L290 PolarHBondContact O-N 2.94Å
252V99Very high98.2Very high0 Ų019.8 Ų19.80%09%0.093CC..EExtended strand (participates in β ladder)trans-112.5112.6161.6-177.20000107I149 I156 V163 L164 Y165 I166 L290I149-V252 HydrophobicContact CG2-CG1 3.95Å; I156-V252 HydrophobicContact CD1-CG2 3.72Å; V163-V252 HydrophobicContact CG1-CG2 3.83Å; L164-V252 PolarHBondContact O-N 3.46Å; Y165-V252 CarbonylContact C-O 3.5Å; Y165-V252 WeakPolarHBondContact CA-O 3.36Å; Y165-V252 HydrophobicContact CD2-CB 4.14Å; Y165-V252 HydrophobicContact CD2-CG1 4.11Å; I166-V252 PolarHBondContact N-O 3.01Å; V252-L290 CarbonylContact C-O 3.54Å; V252-L290 WeakPolarHBondContact CA-O 3.46Å; V252-L290 HydrophobicContact CG1-CB 4.44Å; V252-L290 HydrophobicContact CG1-CD2 4.24Å; V252-L290 HydrophobicContact CG1-CG 4.33Å; V252-L290 HydrophobicContact CG2-CB 4.27Å; V252-L290 HydrophobicContact CG2-CD2 4.43Å
253L98.9Very high98.2Very high0 Ų020.3 Ų20.30%010%0.095CC..EExtended strand (participates in β ladder)trans-103.8110.6-179.7-179.963000109I166 I251 V279 V282 M289 L290 V291 V292I166-L253 HydrophobicContact CB-CD1 3.84Å; I166-L253 HydrophobicContact CG2-CD1 3.86Å; I166-L253 WeakPolarHBondContact O-CA 3.49Å; I251-L253 HydrophobicContact CG2-CB 4.35Å; L253-V279 HydrophobicContact CD2-CB 4.4Å; L253-V279 HydrophobicContact CD2-CG1 4.36Å; L253-V279 HydrophobicContact CD2-CG2 4.06Å; L253-V282 HydrophobicContact CD1-CG2 4.33Å; L253-V282 HydrophobicContact CD2-CB 4.18Å; L253-V282 HydrophobicContact CD2-CG1 4.33Å; L253-V282 HydrophobicContact CD2-CG2 4.35Å; L253-M289 HydrophobicContact CB-CE 3.98Å; L253-M289 HydrophobicContact CD2-CE 3.77Å; L253-L290 PolarHBondContact N-O 3.21Å; L253-V291 WeakPolarHBondContact O-CA 3.29Å; L253-V292 PolarHBondContact O-N 3.29Å
254Q98.9Very high98Very high0 Ų027 Ų270%012%0.118CC..EExtended strand (participates in β ladder)trans-86.7122.9172.3-169.1-78.710.100108G131 I149 Y165 I166 D167 I168 D169 V292 G293G131-Q254 PolarHBondContact O-NE2 2.99Å; I149-Q254 HydrophobicContact CD1-CB 4.49Å; I149-Q254 HydrophobicContact CD1-CG 3.98Å; Y165-Q254 HydrophobicContact CE2-CB 3.78Å; I166-Q254 PolarHBondContact O-N 3.45Å; D167-Q254 PolarHBondContact OD1-OE1 2.91Å; D167-Q254 VanDerWaalsContact OD1-OE1 3.09Å; I168-Q254 WeakPolarHBondContact CG1-O 3.33Å; I168-Q254 PolarHBondContact N-O 3.48Å; D169-Q254 PolarHBondContact OD2-NE2 3.08Å; Q254-V292 HydrophobicContact CB-CG2 3.99Å; Q254-V292 HydrophobicContact CG-CG2 4.09Å; Q254-G293 WeakPolarHBondContact CG-O 3.24Å
255C98.9Very high97.9Very high0 Ų022.7 Ų22.70%011%0.106CC..  trans-112.153.2-176-66.80000111.3W128 A257 V292 G293 W306 E309W128-C255 HydrophobicContact CZ3-CB 3.92Å; C255-A257 PolarHBondContact O-N 3.05Å; C255-V292 WeakPolarHBondContact CB-O 3.44Å; C255-V292 PolarHBondContact N-O 2.97Å; C255-G293 PolarHBondContact N-O 3.27Å; C255-W306 PolarHBondContact O-NE1 3.24Å; C255-E309 WeakPolarHBondContact CB-OE2 3.38Å
256G98.7Very high97.9Very high0 Ų021.6 Ų21.60%010%0.099CC..  trans-54.6119.7171.400000111.2D169 D258 S259 H275D169-G256 WeakPolarHBondContact OD2-CA 3.36Å; G256-D258 VanDerWaalsContact C-N 3.29Å; G256-D258 PolarHBondContact O-N 3.49Å; G256-S259 PolarHBondContact O-OG 3.12Å; G256-H275 PolarHBondContact O-NE2 3.32Å
257A98.5Very high97.8Very high1 Ų125.7 Ų25.71%0.00811%0.114CC..G310 helixtrans-89.511-172.100000113.3C255 S259 L260 G295 V302 C305C255-A257 PolarHBondContact O-N 3.05Å; A257-S259 VanDerWaalsContact C-N 3.34Å; A257-L260 HydrophobicContact CB-CD1 4.02Å; A257-L260 WeakPolarHBondContact O-CB 3.37Å; A257-L260 WeakPolarHBondContact O-CD1 3.47Å; A257-L260 VanDerWaalsContact O-CG 3.29Å; A257-L260 WeakPolarHBondContact O-CG 3.46Å; A257-G295 PolarHBondContact N-O 3.31Å; A257-V302 HydrophobicContact CB-CB 4.31Å; A257-V302 HydrophobicContact CB-CG1 4.2Å; A257-V302 HydrophobicContact CB-CG2 4.03Å; A257-C305 HydrophobicContact CB-CB 4.3Å
258D98.5Very high97.9Very high0 Ų020.1 Ų20.10%09%0.089CC..G310 helixtrans-84.2-6.4173.149.39.6000113.6D169 V170 H171 G256 L260 D263 G266 G295 Y297D169-D258 VanDerWaalsContact OD1-OD1 3.07Å; V170-D258 HydrophobicContact CG1-CB 3.83Å; V170-D258 VanDerWaalsContact CG1-CG 3.41Å; V170-D258 PolarHBondContact N-OD1 2.6Å; V170-D258 VanDerWaalsContact N-OD1 3.14Å; H171-D258 IonicContact CE1-OD2 2.94Å; H171-D258 PolarHBondContact CE1-OD2 3.38Å; H171-D258 IonicContact ND1-OD2 3.56Å; H171-D258 PolarHBondContact ND1-OD2 3.34Å; G256-D258 VanDerWaalsContact C-N 3.29Å; G256-D258 PolarHBondContact O-N 3.49Å; D258-L260 PolarHBondContact O-N 3.34Å; D258-D263 HydrophobicContact CB-CB 4.37Å; D258-D263 WeakPolarHBondContact CB-OD2 3.48Å; D258-G266 WeakPolarHBondContact O-CA 3.19Å; D258-G295 VanDerWaalsContact OD2-CA 3.31Å; D258-G295 WeakPolarHBondContact OD2-CA 3.44Å; D258-Y297 HydrophobicContact CB-CD2 4Å; D258-Y297 HydrophobicContact CB-CE2 3.79Å; D258-Y297 WeakPolarHBondContact OD2-CE2 3.41Å
259S98.2Very high97.9Very high0 Ų020.2 Ų20.20%09%0.088CC..G310 helixtrans-74.3-9.3164.562.30000112.8I168 G256 A257 F268 L270 H275I168-S259 VanDerWaalsContact O-CB 3.31Å; I168-S259 WeakPolarHBondContact O-CB 3.18Å; I168-S259 PolarHBondContact O-OG 3.06Å; I168-S259 VanDerWaalsContact O-OG 3.05Å; G256-S259 PolarHBondContact O-OG 3.12Å; A257-S259 VanDerWaalsContact C-N 3.34Å; S259-F268 WeakPolarHBondContact O-CB 3.29Å; S259-L270 VanDerWaalsContact O-CB 3.29Å; S259-L270 WeakPolarHBondContact O-CB 3.46Å; S259-L270 WeakPolarHBondContact O-CG 3.26Å; S259-L270 PolarHBondContact O-N 2.91Å; S259-H275 PolarHBondContact OG-CD2 2.9Å; S259-H275 PolarHBondContact OG-NE2 2.84Å
260L98.5Very high97.9Very high5 Ų517.2 Ų17.23%0.0268%0.075CC..BIsolated β-bridgetrans-68.4147172.6-63174.9000111.9A257 D258 D263 L270 I272 H275 C305A257-L260 HydrophobicContact CB-CD1 4.02Å; A257-L260 WeakPolarHBondContact O-CB 3.37Å; A257-L260 WeakPolarHBondContact O-CD1 3.47Å; A257-L260 VanDerWaalsContact O-CG 3.29Å; A257-L260 WeakPolarHBondContact O-CG 3.46Å; D258-L260 PolarHBondContact O-N 3.34Å; L260-D263 WeakPolarHBondContact O-CB 3.32Å; L260-D263 PolarHBondContact O-N 3.17Å; L260-L270 CarbonylContact C-O 3.59Å; L260-L270 WeakPolarHBondContact CA-O 3.17Å; L260-I272 HydrophobicContact CD1-CG1 4.16Å; L260-I272 HydrophobicContact CD2-CG1 4.22Å; L260-H275 HydrophobicContact CD2-CB 3.74Å; L260-C305 HydrophobicContact CD1-CB 3.69Å
261G97.7Very high97.9Very high2 Ų219.3 Ų19.32%0.0219%0.087CC..THydrogen-bonded Turntrans-60.1154.4160.700000111.4D263 F268 L270G261-D263 PolarHBondContact O-N 3.27Å; G261-F268 WeakPolarHBondContact CA-O 3.37Å; G261-L270 PolarHBondContact N-O 2.93Å
262D96Very high97.9Very high32 Ų3219.9 Ų19.917%0.1719%0.09CC..THydrogen-bonded Turntrans61.116.4-172.1-59.8-35.7000115.5T298 T343 K344D262-T298 PolarHBondContact O-OG1 3.1Å; D262-T343 PolarHBondContact OD1-N 3.41Å; D262-T343 PolarHBondContact OD1-OG1 3.37Å; D262-T343 PolarHBondContact OD2-N 2.88Å; D262-T343 PolarHBondContact OD2-OG1 3.46Å; D262-T343 VanDerWaalsContact OD2-OG1 3.08Å; D262-K344 WeakPolarHBondContact OD1-CB 3.43Å; D262-K344 PolarHBondContact OD1-N 2.94Å
263D97.6Very high97.9Very high11 Ų1122.1 Ų22.16%0.05911%0.105CC..  trans-71.1155.2161.8-17165.8000111.5D258 L260 G261 L265 G266 Y297 T298D258-D263 HydrophobicContact CB-CB 4.37Å; D258-D263 WeakPolarHBondContact CB-OD2 3.48Å; L260-D263 WeakPolarHBondContact O-CB 3.32Å; L260-D263 PolarHBondContact O-N 3.17Å; G261-D263 PolarHBondContact O-N 3.27Å; D263-L265 PolarHBondContact OD2-N 2.98Å; D263-G266 PolarHBondContact OD2-N 3.01Å; D263-Y297 PolarHBondContact OD1-N 3.01Å; D263-Y297 WeakPolarHBondContact OD2-CD2 3.45Å; D263-T298 PolarHBondContact OD1-N 3.45Å
264R95.3Very high97.9Very high161 Ų16122.3 Ų22.361%0.60811%0.106SC*.SBendtrans-80.4-31.2-177.7-62.3-175.4178-176.1-3.1113.5Y297R264-Y297 VanDerWaalsContact CD-O 3.29Å; R264-Y297 WeakPolarHBondContact CD-O 3.42Å; R264-Y297 PolarHBondContact NE-O 3.48Å
265L95.7Very high97.9Very high53 Ų5322.3 Ų22.328%0.27711%0.106SC..SBendtrans-115.9-24.3-173.9-56.4-174.6000112.4P22 F143 D263 Y267 Y297P22-L265 HydrophobicContact CB-CD1 4.07Å; P22-L265 HydrophobicContact CG-CD1 3.94Å; F143-L265 HydrophobicContact CE2-CD1 3.66Å; F143-L265 HydrophobicContact CZ-CD1 3.84Å; D263-L265 PolarHBondContact OD2-N 2.98Å; L265-Y267 WeakPolarHBondContact O-CE2 3.36Å; L265-Y297 HydrophobicContact CB-CD2 3.6Å; L265-Y297 HydrophobicContact CB-CE2 3.87Å; L265-Y297 HydrophobicContact CB-CG 4.47Å; L265-Y297 HydrophobicContact CD1-CD1 4.19Å; L265-Y297 HydrophobicContact CD1-CD2 3.58Å; L265-Y297 HydrophobicContact CD1-CE1 4.27Å; L265-Y297 HydrophobicContact CD1-CE2 3.66Å; L265-Y297 HydrophobicContact CD1-CG 3.85Å; L265-Y297 HydrophobicContact CG-CD2 3.6Å; L265-Y297 HydrophobicContact CG-CE2 4.07Å; L265-Y297 HydrophobicContact CG-CG 3.99Å
266G96.2Very high97.9Very high0 Ų022.3 Ų22.30%011%0.106CC..  trans-83.3150.1172.700000114.2D258 D263D258-G266 WeakPolarHBondContact O-CA 3.19Å; D263-G266 PolarHBondContact OD2-N 3.01Å
267Y96.5Very high97.9Very high86 Ų8624.4 Ų24.434%0.33712%0.116SC..  trans-122.421.9-177.3-53.4-78.2000113.1M193 F198 G225 L265 Y346M193-Y267 HydrophobicContact CE-CD2 4.08Å; M193-Y267 HydrophobicContact SD-CD2 3.82Å; M193-Y267 HydrophobicContact SD-CG 4.26Å; F198-Y267 HydrophobicContact CD2-CD2 4.02Å; F198-Y267 AromaticContact CD2-CE2 3.96Å; F198-Y267 HydrophobicContact CD2-CE2 3.96Å; F198-Y267 AromaticContact CE2-CD2 3.63Å; F198-Y267 HydrophobicContact CE2-CD2 3.63Å; F198-Y267 AromaticContact CE2-CE2 3.64Å; F198-Y267 HydrophobicContact CE2-CE2 3.64Å; G225-Y267 PolarHBondContact N-O 2.95Å; L265-Y267 WeakPolarHBondContact O-CE2 3.36Å; Y267-Y346 HydrophobicContact CD1-CD1 4.46Å; Y267-Y346 AromaticContact CD1-CE1 3.74Å; Y267-Y346 HydrophobicContact CD1-CE1 3.74Å; Y267-Y346 HydrophobicContact CD1-CE2 4.18Å; Y267-Y346 AromaticContact CD1-CZ 3.57Å; Y267-Y346 HydrophobicContact CE1-CE1 4.44Å
268F98.3Very high97.9Very high0 Ų024.4 Ų24.40%012%0.116CC..  trans-86.3169169.9-74.3-0.1000111V170 M193 L222 Q223 I226 Y231 S259 G261 L270V170-F268 HydrophobicContact CG2-CD1 4.17Å; V170-F268 HydrophobicContact CG2-CD2 4.03Å; V170-F268 HydrophobicContact CG2-CE1 4.23Å; V170-F268 HydrophobicContact CG2-CE2 4.06Å; V170-F268 HydrophobicContact CG2-CG 4.06Å; V170-F268 HydrophobicContact CG2-CZ 4.16Å; M193-F268 HydrophobicContact CB-CD1 4.46Å; M193-F268 HydrophobicContact CB-CE1 3.58Å; M193-F268 HydrophobicContact CB-CZ 3.82Å; M193-F268 HydrophobicContact CG-CE1 4.11Å; L222-F268 HydrophobicContact CB-CE1 4.23Å; L222-F268 HydrophobicContact CB-CZ 3.76Å; L222-F268 HydrophobicContact CD1-CE2 4.22Å; L222-F268 HydrophobicContact CD1-CZ 4.08Å; Q223-F268 VanDerWaalsContact O-CE1 3.31Å; Q223-F268 WeakPolarHBondContact O-CE1 3.41Å; I226-F268 HydrophobicContact CG2-CB 4.13Å; I226-F268 HydrophobicContact CG2-CD1 3.71Å; I226-F268 HydrophobicContact CG2-CD2 3.72Å; I226-F268 HydrophobicContact CG2-CE1 3.99Å; I226-F268 HydrophobicContact CG2-CE2 4.04Å; I226-F268 HydrophobicContact CG2-CG 3.57Å; I226-F268 HydrophobicContact CG2-CZ 4.17Å; Y231-F268 HydrophobicContact CE2-CD2 4.36Å; Y231-F268 HydrophobicContact CE2-CE2 4.01Å; S259-F268 WeakPolarHBondContact O-CB 3.29Å; G261-F268 WeakPolarHBondContact CA-O 3.37Å; F268-L270 HydrophobicContact CB-CG 4.48Å
269N98.6Very high97.9Very high10 Ų1024.4 Ų24.45%0.05312%0.116CC..BIsolated β-bridgetrans-118.732.7178-66.4-40.8000111G225 I226 L342 V345 Y346G225-N269 VanDerWaalsContact C-ND2 3.34Å; G225-N269 WeakPolarHBondContact CA-ND2 3.39Å; G225-N269 PolarHBondContact O-ND2 2.89Å; I226-N269 CarbonylContact O-C 3.55Å; I226-N269 WeakPolarHBondContact O-CA 3.37Å; I226-N269 WeakPolarHBondContact O-CB 3.45Å; I226-N269 PolarHBondContact O-N 2.89Å; N269-L342 HydrophobicContact CB-CD1 4.09Å; N269-L342 WeakPolarHBondContact O-CD1 3.3Å; N269-V345 WeakPolarHBondContact OD1-CA 3.31Å; N269-Y346 PolarHBondContact ND2-N 3.43Å; N269-Y346 PolarHBondContact ND2-O 3.41Å; N269-Y346 PolarHBondContact OD1-N 2.84Å
270L98.8Very high97.9Very high1 Ų128 Ų281%0.00513%0.13CC..BIsolated β-bridgetrans-70.3137.7178-56.6-172.1000110.3I226 D228 Y231 S259 L260 G261 F268I226-L270 HydrophobicContact CG2-CD2 4.44Å; D228-L270 VanDerWaalsContact OD1-CA 3.24Å; D228-L270 WeakPolarHBondContact OD1-CA 3.45Å; Y231-L270 HydrophobicContact CD1-CD1 4.25Å; Y231-L270 HydrophobicContact CD2-CD1 3.95Å; Y231-L270 HydrophobicContact CD2-CD2 4.01Å; Y231-L270 HydrophobicContact CD2-CG 4.47Å; Y231-L270 HydrophobicContact CE1-CD1 4.33Å; Y231-L270 HydrophobicContact CE2-CD1 4.02Å; Y231-L270 HydrophobicContact CG-CD1 4.06Å; Y231-L270 HydrophobicContact CG-CD2 3.82Å; S259-L270 VanDerWaalsContact O-CB 3.29Å; S259-L270 WeakPolarHBondContact O-CB 3.46Å; S259-L270 WeakPolarHBondContact O-CG 3.26Å; S259-L270 PolarHBondContact O-N 2.91Å; L260-L270 CarbonylContact C-O 3.59Å; L260-L270 WeakPolarHBondContact CA-O 3.17Å; G261-L270 PolarHBondContact N-O 2.93Å; F268-L270 HydrophobicContact CB-CG 4.48Å
271T98.7Very high98Very high43 Ų4329.7 Ų29.726%0.26414%0.137SC..  trans-87164.7170.373.60000110.1D228 P273 G274 H275 L342D228-T271 PolarHBondContact OD1-N 3.39Å; D228-T271 WeakPolarHBondContact OD2-CB 3.32Å; D228-T271 VanDerWaalsContact OD2-CG2 3.28Å; D228-T271 WeakPolarHBondContact OD2-CG2 3.3Å; D228-T271 PolarHBondContact OD2-OG1 3.05Å; T271-P273 WeakPolarHBondContact OG1-CD 3.49Å; T271-G274 WeakPolarHBondContact O-CA 3.47Å; T271-G274 PolarHBondContact O-N 3.37Å; T271-G274 VanDerWaalsContact O-N 3.13Å; T271-G274 PolarHBondContact OG1-N 3.43Å; T271-H275 WeakPolarHBondContact O-CB 3.4Å; T271-H275 PolarHBondContact O-N 3.27Å; T271-L342 HydrophobicContact CG2-CD1 4.36Å; T271-L342 HydrophobicContact CG2-CG 4.35Å
272I98.7Very high98Very high12 Ų1229.6 Ų29.66%0.06214%0.136CC..Hα-helixtrans-58.4-46.9174.1-72.4156.4000111.6L260 G274 H275 G276 R304 C305 Y308 L338L260-I272 HydrophobicContact CD1-CG1 4.16Å; L260-I272 HydrophobicContact CD2-CG1 4.22Å; I272-G274 VanDerWaalsContact C-N 3.3Å; I272-G274 PolarHBondContact O-N 3.11Å; I272-H275 PolarHBondContact O-N 3.35Å; I272-G276 PolarHBondContact O-N 2.86Å; I272-R304 HydrophobicContact CD1-CB 3.55Å; I272-R304 HydrophobicContact CD1-CG 4.43Å; I272-C305 HydrophobicContact CG1-CB 4.19Å; I272-Y308 VanDerWaalsContact CG2-CB 3.48Å; I272-Y308 HydrophobicContact CG2-CD1 3.91Å; I272-Y308 HydrophobicContact CG2-CD2 4.1Å; I272-Y308 HydrophobicContact CG2-CG 3.56Å; I272-L338 VanDerWaalsContact CD1-O 3.3Å; I272-L338 WeakPolarHBondContact CD1-O 3.13Å
273P98.6Very high98.1Very high48 Ų4829.3 Ų29.331%0.31213%0.133SC..Hα-helixtrans-60.2-38171.8-26.535.9000113.6T271 G276 E277 C339T271-P273 WeakPolarHBondContact OG1-CD 3.49Å; P273-G276 PolarHBondContact O-N 3.46Å; P273-E277 WeakPolarHBondContact O-CB 3.32Å; P273-E277 PolarHBondContact O-N 2.89Å; P273-C339 HydrophobicContact CG-CB 4.14Å
274G98.8Very high98.2Very high3 Ų332.8 Ų32.83%0.03116%0.158CC..Hα-helixtrans-62.8-44.3176.300000113.4D228 H232 T271 I272 E277D228-G274 VanDerWaalsContact CG-CA 3.47Å; D228-G274 WeakPolarHBondContact OD1-CA 3.24Å; H232-G274 PolarHBondContact NE2-O 3.05Å; T271-G274 WeakPolarHBondContact O-CA 3.47Å; T271-G274 PolarHBondContact O-N 3.37Å; T271-G274 VanDerWaalsContact O-N 3.13Å; T271-G274 PolarHBondContact OG1-N 3.43Å; I272-G274 VanDerWaalsContact C-N 3.3Å; I272-G274 PolarHBondContact O-N 3.11Å; G274-E277 WeakPolarHBondContact O-CB 3.42Å; G274-E277 PolarHBondContact O-N 2.78Å
275H98.7Very high98.3Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-65.9-46174.8-160.2-87.4000111.2I168 G256 S259 L260 T271 I272 E277 C278 V279 E309I168-H275 WeakPolarHBondContact CD1-CE1 3.17Å; I168-H275 WeakPolarHBondContact CD1-NE2 3.31Å; G256-H275 PolarHBondContact O-NE2 3.32Å; S259-H275 PolarHBondContact OG-CD2 2.9Å; S259-H275 PolarHBondContact OG-NE2 2.84Å; L260-H275 HydrophobicContact CD2-CB 3.74Å; T271-H275 WeakPolarHBondContact O-CB 3.4Å; T271-H275 PolarHBondContact O-N 3.27Å; I272-H275 PolarHBondContact O-N 3.35Å; H275-E277 PolarHBondContact O-N 3.37Å; H275-C278 VanDerWaalsContact O-CB 3.25Å; H275-C278 WeakPolarHBondContact O-CB 3.49Å; H275-C278 PolarHBondContact O-N 2.86Å; H275-V279 PolarHBondContact O-N 3.49Å; H275-E309 IonicContact CE1-OE1 2.88Å; H275-E309 PolarHBondContact CE1-OE1 3.04Å; H275-E309 VanDerWaalsContact CE1-OE1 3.24Å; H275-E309 IonicContact CG-OE1 3.57Å; H275-E309 IonicContact ND1-OE1 3.86Å; H275-E309 PolarHBondContact ND1-OE1 3.12Å
276G98.8Very high98.4Very high0 Ų028.2 Ų28.20%016%0.162CC..Hα-helixtrans-63.6-23.2175.600000114.3I272 P273 C278 V279 R280I272-G276 PolarHBondContact O-N 2.86Å; P273-G276 PolarHBondContact O-N 3.46Å; G276-C278 VanDerWaalsContact C-N 3.32Å; G276-V279 PolarHBondContact O-N 2.86Å; G276-R280 WeakPolarHBondContact O-CB 3.4Å; G276-R280 PolarHBondContact O-N 2.8Å
277E98.8Very high98.5Very high45 Ų4529.7 Ų29.721%0.2117%0.17CC..Hα-helixtrans-68.2-30.4171.9179.960-164.700112.7K236 P273 G274 H275 R280 F281K236-E277 WeakPolarHBondContact CE-OE1 3.48Å; K236-E277 IonicContact NZ-OE1 2.76Å; K236-E277 PolarHBondContact NZ-OE1 2.56Å; P273-E277 WeakPolarHBondContact O-CB 3.32Å; P273-E277 PolarHBondContact O-N 2.89Å; G274-E277 WeakPolarHBondContact O-CB 3.42Å; G274-E277 PolarHBondContact O-N 2.78Å; H275-E277 PolarHBondContact O-N 3.37Å; E277-R280 WeakPolarHBondContact OE2-CD 3.17Å; E277-R280 IonicContact OE2-CZ 2.64Å; E277-R280 IonicContact OE2-NE 2.69Å; E277-R280 IonicContact OE2-NH1 3.84Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; E277-F281 WeakPolarHBondContact O-CB 3.25Å; E277-F281 PolarHBondContact O-N 2.77Å
278C98.9Very high98.6Very high0 Ų027.5 Ų27.50%017%0.166CC..Hα-helixtrans-63.4-47.1170.1-610000110.3I168 Y231 F235 H275 G276 F281 V282I168-C278 HydrophobicContact CD1-CB 3.96Å; Y231-C278 VanDerWaalsContact CE1-SG 3.57Å; F235-C278 HydrophobicContact CD1-CB 4.08Å; F235-C278 HydrophobicContact CE1-CB 3.56Å; F235-C278 HydrophobicContact CE2-CB 4.19Å; F235-C278 HydrophobicContact CZ-CB 3.62Å; H275-C278 VanDerWaalsContact O-CB 3.25Å; H275-C278 WeakPolarHBondContact O-CB 3.49Å; H275-C278 PolarHBondContact O-N 2.86Å; G276-C278 VanDerWaalsContact C-N 3.32Å; C278-F281 PolarHBondContact O-N 2.83Å; C278-V282 WeakPolarHBondContact O-CG2 3.08Å; C278-V282 PolarHBondContact O-N 2.84Å
279V98.9Very high98.7Very high0 Ų027.6 Ų27.60%017%0.166CC..Hα-helixtrans-61-45.8176.2-178.40000111.5L253 H275 G276 F281 V282 K283 E309 V312 L313L253-V279 HydrophobicContact CD2-CB 4.4Å; L253-V279 HydrophobicContact CD2-CG1 4.36Å; L253-V279 HydrophobicContact CD2-CG2 4.06Å; H275-V279 PolarHBondContact O-N 3.49Å; G276-V279 PolarHBondContact O-N 2.86Å; V279-F281 VanDerWaalsContact C-N 3.31Å; V279-F281 PolarHBondContact O-N 3.44Å; V279-V282 PolarHBondContact O-N 3.14Å; V279-K283 VanDerWaalsContact O-CB 3.3Å; V279-K283 WeakPolarHBondContact O-CB 3.45Å; V279-K283 PolarHBondContact O-N 3.39Å; V279-E309 HydrophobicContact CG2-CB 4.31Å; V279-E309 HydrophobicContact CG2-CG 3.83Å; V279-E309 WeakPolarHBondContact CG2-OE1 3.45Å; V279-V312 HydrophobicContact CG1-CG1 4.37Å; V279-L313 HydrophobicContact CG1-CD1 4.32Å; V279-L313 HydrophobicContact CG1-CD2 3.55Å; V279-L313 HydrophobicContact CG1-CG 3.78Å
280R98.8Very high98.7Very high77 Ų7727.1 Ų27.129%0.29116%0.164SC..Hα-helixtrans-57.4-45.2176.7-170.3179.8-69.695.8-0.5111.5G276 E277 S284 Y308 V312G276-R280 WeakPolarHBondContact O-CB 3.4Å; G276-R280 PolarHBondContact O-N 2.8Å; E277-R280 WeakPolarHBondContact OE2-CD 3.17Å; E277-R280 IonicContact OE2-CZ 2.64Å; E277-R280 IonicContact OE2-NE 2.69Å; E277-R280 IonicContact OE2-NH1 3.84Å; E277-R280 PolarHBondContact OE2-NH1 2.82Å; R280-S284 PolarHBondContact O-N 3.09Å; R280-Y308 PolarHBondContact NH2-OH 3Å; R280-V312 HydrophobicContact CB-CG1 3.56Å; R280-V312 HydrophobicContact CG-CG1 4.13Å
281F98.9Very high98.7Very high40 Ų4027 Ų2718%0.17516%0.164CC..Hα-helixtrans-63.6-48.9179-179.4-103.3000111.6F235 K236 V239 A240 E277 C278 V279 K283 S284F235-F281 HydrophobicContact CD1-CD1 4.39Å; F235-F281 HydrophobicContact CE1-CB 4.45Å; F235-F281 AromaticContact CE1-CD1 3.97Å; F235-F281 HydrophobicContact CE1-CD1 3.97Å; K236-F281 HydrophobicContact CB-CD1 4.24Å; K236-F281 HydrophobicContact CB-CD2 4.18Å; K236-F281 HydrophobicContact CB-CE1 4.1Å; K236-F281 HydrophobicContact CB-CE2 4.04Å; K236-F281 HydrophobicContact CB-CG 4.28Å; K236-F281 HydrophobicContact CB-CZ 4Å; K236-F281 HydrophobicContact CD-CD2 4.16Å; K236-F281 HydrophobicContact CD-CG 4.41Å; K236-F281 HydrophobicContact CG-CB 4.31Å; K236-F281 HydrophobicContact CG-CD1 4.08Å; K236-F281 HydrophobicContact CG-CD2 3.92Å; K236-F281 HydrophobicContact CG-CE1 4.44Å; K236-F281 HydrophobicContact CG-CE2 4.3Å; K236-F281 HydrophobicContact CG-CG 3.81Å; K236-F281 WeakPolarHBondContact O-CE1 3.24Å; K236-F281 WeakPolarHBondContact O-CZ 3.43Å; V239-F281 HydrophobicContact CB-CD1 4.36Å; V239-F281 HydrophobicContact CB-CE1 3.85Å; V239-F281 HydrophobicContact CG1-CD1 4.17Å; V239-F281 HydrophobicContact CG1-CE1 3.75Å; A240-F281 HydrophobicContact CB-CZ 4.09Å; E277-F281 WeakPolarHBondContact O-CB 3.25Å; E277-F281 PolarHBondContact O-N 2.77Å; C278-F281 PolarHBondContact O-N 2.83Å; V279-F281 VanDerWaalsContact C-N 3.31Å; V279-F281 PolarHBondContact O-N 3.44Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.36Å; F281-S284 WeakPolarHBondContact O-CB 3.4Å; F281-S284 PolarHBondContact O-N 3.4Å; F281-S284 VanDerWaalsContact O-N 3.12Å; F281-S284 PolarHBondContact O-OG 2.86Å
282V98.9Very high98.7Very high0 Ų025 Ų250%015%0.151CC..Hα-helixtrans-62.8-43.3179.41800000110.9I166 F235 V239 I251 L253 C278 V279 S284 L285 M289I166-V282 HydrophobicContact CD1-CG1 4.13Å; I166-V282 HydrophobicContact CD1-CG2 3.98Å; F235-V282 HydrophobicContact CE1-CG2 4.17Å; F235-V282 HydrophobicContact CZ-CG2 3.79Å; V239-V282 HydrophobicContact CG1-CG2 4.38Å; I251-V282 HydrophobicContact CD1-CG1 3.82Å; I251-V282 HydrophobicContact CG2-CG1 3.97Å; L253-V282 HydrophobicContact CD1-CG2 4.33Å; L253-V282 HydrophobicContact CD2-CB 4.18Å; L253-V282 HydrophobicContact CD2-CG1 4.33Å; L253-V282 HydrophobicContact CD2-CG2 4.35Å; C278-V282 WeakPolarHBondContact O-CG2 3.08Å; C278-V282 PolarHBondContact O-N 2.84Å; V279-V282 PolarHBondContact O-N 3.14Å; V282-S284 VanDerWaalsContact C-N 3.25Å; V282-S284 PolarHBondContact O-N 3.3Å; V282-L285 HydrophobicContact CG1-CD1 4.34Å; V282-L285 VanDerWaalsContact O-CB 3.25Å; V282-L285 WeakPolarHBondContact O-CB 3.36Å; V282-L285 WeakPolarHBondContact O-CG 3.22Å; V282-L285 PolarHBondContact O-N 2.85Å; V282-L285 VanDerWaalsContact O-N 3.12Å; V282-M289 HydrophobicContact CB-CE 4.09Å; V282-M289 HydrophobicContact CG1-CE 3.38Å
283K98.6Very high98.7Very high25 Ų2524.4 Ų24.411%0.10915%0.148CC..Hα-helixtrans-56-39.9173.9-176.7-161.7175.2-173.30112.1I124 V279 F281 L285 G286 M289 V312 L313 D315I124-K283 HydrophobicContact CD1-CG 4Å; V279-K283 VanDerWaalsContact O-CB 3.3Å; V279-K283 WeakPolarHBondContact O-CB 3.45Å; V279-K283 PolarHBondContact O-N 3.39Å; F281-K283 VanDerWaalsContact C-N 3.35Å; F281-K283 PolarHBondContact O-N 3.36Å; K283-L285 PolarHBondContact O-N 3.04Å; K283-L285 VanDerWaalsContact O-N 3.1Å; K283-G286 PolarHBondContact O-N 3.1Å; K283-G286 VanDerWaalsContact O-N 3.08Å; K283-M289 HydrophobicContact CB-SD 4.47Å; K283-V312 PolarHBondContact NZ-O 2.86Å; K283-V312 VanDerWaalsContact NZ-O 3.15Å; K283-L313 HydrophobicContact CB-CD2 4.4Å; K283-L313 HydrophobicContact CD-CD2 4.44Å; K283-L313 WeakPolarHBondContact CE-O 3.42Å; K283-L313 HydrophobicContact CG-CD2 4.46Å; K283-L313 PolarHBondContact NZ-O 3.36Å; K283-D315 IonicContact NZ-OD1 2.62Å; K283-D315 PolarHBondContact NZ-OD1 2.81Å; K283-D315 IonicContact NZ-OD2 3.73Å; K283-D315 PolarHBondContact NZ-OD2 3.24Å
284S98.5Very high98.7Very high85 Ų8522.2 Ų22.259%0.59413%0.134SC*.Hα-helixtrans-63.4-16-178.780.20000114.2R280 F281 V282 G286R280-S284 PolarHBondContact O-N 3.09Å; F281-S284 WeakPolarHBondContact O-CB 3.4Å; F281-S284 PolarHBondContact O-N 3.4Å; F281-S284 VanDerWaalsContact O-N 3.12Å; F281-S284 PolarHBondContact O-OG 2.86Å; V282-S284 VanDerWaalsContact C-N 3.25Å; V282-S284 PolarHBondContact O-N 3.3Å; S284-G286 PolarHBondContact O-N 3.25Å
285L98.4Very high98.6Very high50 Ų5022.2 Ų22.226%0.26213%0.134SC..THydrogen-bonded Turntrans-70.1-18.4175.6-57.1169.9000112.7V239 V243 I251 V282 K283 I287V239-L285 HydrophobicContact CG1-CD1 4.04Å; V243-L285 HydrophobicContact CG2-CD1 3.71Å; I251-L285 HydrophobicContact CD1-CD1 3.98Å; V282-L285 HydrophobicContact CG1-CD1 4.34Å; V282-L285 VanDerWaalsContact O-CB 3.25Å; V282-L285 WeakPolarHBondContact O-CB 3.36Å; V282-L285 WeakPolarHBondContact O-CG 3.22Å; V282-L285 PolarHBondContact O-N 2.85Å; V282-L285 VanDerWaalsContact O-N 3.12Å; K283-L285 PolarHBondContact O-N 3.04Å; K283-L285 VanDerWaalsContact O-N 3.1Å; L285-I287 VanDerWaalsContact C-N 3.27Å; L285-I287 HydrophobicContact CB-CD1 4.32Å; L285-I287 HydrophobicContact CB-CG1 4.28Å; L285-I287 PolarHBondContact O-N 3.36Å
286G97.9Very high98.6Very high68 Ų6822.2 Ų22.270%0.70113%0.134SC*.  trans67.823.7177.700000114.4K283 S284K283-G286 PolarHBondContact O-N 3.1Å; K283-G286 VanDerWaalsContact O-N 3.08Å; S284-G286 PolarHBondContact O-N 3.25Å
287I98.5Very high98.6Very high30 Ų3022.7 Ų22.715%0.15414%0.136CC..  trans-97.5134.9177.8-59.3176.1000107.9V243 P248 I251 L285 M289V243-I287 HydrophobicContact CG1-CD1 3.69Å; P248-I287 HydrophobicContact CG-CD1 4Å; I251-I287 HydrophobicContact CD1-CB 4.06Å; I251-I287 HydrophobicContact CD1-CD1 4.19Å; I251-I287 HydrophobicContact CD1-CG2 4.25Å; I251-I287 HydrophobicContact CG1-CB 4.33Å; I251-I287 HydrophobicContact CG1-CG2 3.98Å; L285-I287 VanDerWaalsContact C-N 3.27Å; L285-I287 HydrophobicContact CB-CD1 4.32Å; L285-I287 HydrophobicContact CB-CG1 4.28Å; L285-I287 PolarHBondContact O-N 3.36Å; I287-M289 PolarHBondContact O-N 3.06Å
288P98.6Very high98.5Very high41 Ų4121.3 Ų21.327%0.26613%0.131SC..  trans-51.1137.4175.7-27.534.8000111.4L117 D123 C250 I251L117-P288 HydrophobicContact CD2-CB 4.42Å; D123-P288 CarbonylContact O-C 3.59Å; D123-P288 VanDerWaalsContact O-CA 3.23Å; D123-P288 WeakPolarHBondContact O-CA 3.18Å; C250-P288 CarbonylContact C-O 3.44Å; C250-P288 VanDerWaalsContact CA-O 3.29Å; C250-P288 WeakPolarHBondContact CA-O 3.46Å; C250-P288 PolarHBondContact SG-O 3.4Å; C250-P288 VanDerWaalsContact SG-O 3.33Å; I251-P288 PolarHBondContact N-O 2.91Å
289M98.7Very high98.4Very high1 Ų122.5 Ų22.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-142.1138.5-172.476.1-168.9-47.600114.8D123 I124 A125 I251 L253 V282 K283 I287 V291 L313D123-M289 PolarHBondContact O-N 3.15Å; I124-M289 CarbonylContact C-O 3.56Å; I124-M289 VanDerWaalsContact CA-O 3.31Å; I124-M289 WeakPolarHBondContact CA-O 3.4Å; I124-M289 HydrophobicContact CB-CG 4.19Å; I124-M289 HydrophobicContact CD1-CG 4.42Å; I124-M289 HydrophobicContact CD1-SD 4.11Å; I124-M289 HydrophobicContact CG1-CG 3.91Å; I124-M289 HydrophobicContact CG1-SD 4.24Å; I124-M289 HydrophobicContact CG2-CG 3.78Å; I124-M289 HydrophobicContact CG2-SD 4.33Å; A125-M289 PolarHBondContact N-O 2.79Å; I251-M289 HydrophobicContact CB-CB 4.1Å; I251-M289 CarbonylContact O-C 3.59Å; I251-M289 WeakPolarHBondContact O-CA 3.44Å; L253-M289 HydrophobicContact CB-CE 3.98Å; L253-M289 HydrophobicContact CD2-CE 3.77Å; V282-M289 HydrophobicContact CB-CE 4.09Å; V282-M289 HydrophobicContact CG1-CE 3.38Å; K283-M289 HydrophobicContact CB-SD 4.47Å; I287-M289 PolarHBondContact O-N 3.06Å; M289-V291 HydrophobicContact CE-CG2 4Å; M289-V291 HydrophobicContact CG-CG2 4Å; M289-V291 HydrophobicContact SD-CG2 4.16Å; M289-L313 HydrophobicContact SD-CD2 4.25Å
290L98.9Very high98.3Very high0 Ų027.6 Ų27.60%016%0.16CC..EExtended strand (participates in β ladder)trans-94122.6162.7172.658000108.1A113 L117 A125 A152 I156 I251 V252 L253 V292A113-L290 HydrophobicContact CB-CD1 3.51Å; L117-L290 HydrophobicContact CD1-CB 3.73Å; A125-L290 HydrophobicContact CB-CD1 4.33Å; A125-L290 CarbonylContact O-C 3.55Å; A125-L290 WeakPolarHBondContact O-CA 3.19Å; A125-L290 WeakPolarHBondContact O-CD1 3.24Å; A152-L290 HydrophobicContact CB-CD2 3.64Å; I156-L290 HydrophobicContact CD1-CB 4.35Å; I156-L290 HydrophobicContact CD1-CD2 4.32Å; I251-L290 PolarHBondContact O-N 2.94Å; V252-L290 CarbonylContact C-O 3.54Å; V252-L290 WeakPolarHBondContact CA-O 3.46Å; V252-L290 HydrophobicContact CG1-CB 4.44Å; V252-L290 HydrophobicContact CG1-CD2 4.24Å; V252-L290 HydrophobicContact CG1-CG 4.33Å; V252-L290 HydrophobicContact CG2-CB 4.27Å; V252-L290 HydrophobicContact CG2-CD2 4.43Å; L253-L290 PolarHBondContact N-O 3.21Å; L290-V292 HydrophobicContact CD1-CG1 4.02Å; L290-V292 HydrophobicContact CD2-CG1 4.23Å; L290-V292 HydrophobicContact CG-CG1 3.9Å
291V98.9Very high98.2Very high0 Ų024.7 Ų24.70%015%0.15CC..EExtended strand (participates in β ladder)trans-105.9123.9173.8-172.80000108.4I124 A125 I126 N127 W128 L253 M289 L313I124-V291 HydrophobicContact CG2-CG2 4.08Å; A125-V291 PolarHBondContact O-N 2.74Å; I126-V291 CarbonylContact C-O 3.57Å; I126-V291 WeakPolarHBondContact CA-O 3.35Å; I126-V291 HydrophobicContact CG1-CB 4.36Å; N127-V291 PolarHBondContact N-O 2.69Å; W128-V291 HydrophobicContact CH2-CG1 3.67Å; W128-V291 HydrophobicContact CZ3-CG1 3.82Å; L253-V291 WeakPolarHBondContact O-CA 3.29Å; M289-V291 HydrophobicContact CE-CG2 4Å; M289-V291 HydrophobicContact CG-CG2 4Å; M289-V291 HydrophobicContact SD-CG2 4.16Å; V291-L313 HydrophobicContact CB-CD1 4.34Å; V291-L313 HydrophobicContact CG1-CD1 4.29Å; V291-L313 HydrophobicContact CG2-CD1 3.96Å; V291-L313 HydrophobicContact CG2-CD2 4.28Å
292V98.9Very high98.2Very high0 Ų022.8 Ų22.80%014%0.142CC..EExtended strand (participates in β ladder)trans-121.3162.7178.1-63.50000111N127 I149 L253 Q254 C255 L290N127-V292 VanDerWaalsContact O-CA 3.31Å; N127-V292 WeakPolarHBondContact O-CA 3.43Å; I149-V292 HydrophobicContact CG1-CG2 4.27Å; L253-V292 PolarHBondContact O-N 3.29Å; Q254-V292 HydrophobicContact CB-CG2 3.99Å; Q254-V292 HydrophobicContact CG-CG2 4.09Å; C255-V292 WeakPolarHBondContact CB-O 3.44Å; C255-V292 PolarHBondContact N-O 2.97Å; L290-V292 HydrophobicContact CD1-CG1 4.02Å; L290-V292 HydrophobicContact CD2-CG1 4.23Å; L290-V292 HydrophobicContact CG-CG1 3.9Å
293G98.7Very high98.2Very high0 Ų022.8 Ų22.80%014%0.142CC..  trans-69.8-138171.500000112.1N127 G130 Q254 C255 W306N127-G293 PolarHBondContact O-N 2.65Å; G130-G293 CarbonylContact O-C 3.57Å; G130-G293 VanDerWaalsContact O-C 3.25Å; G130-G293 WeakPolarHBondContact O-CA 3.47Å; G130-G293 PolarHBondContact O-N 2.75Å; Q254-G293 WeakPolarHBondContact CG-O 3.24Å; C255-G293 PolarHBondContact N-O 3.27Å; G293-W306 VanDerWaalsContact CA-CZ2 3.45Å
294G98.4Very high98.2Very high2 Ų221.9 Ų21.92%0.02114%0.138CC..  trans155.7-148-174.300000112.9R27 G130R27-G294 VanDerWaalsContact CZ-O 3.28Å; R27-G294 PolarHBondContact NH1-O 3.12Å; R27-G294 PolarHBondContact NH2-O 3.37Å; G130-G294 PolarHBondContact O-N 3.41Å
295G97.8Very high98.2Very high3 Ų317.9 Ų17.93%0.03111%0.109CC..  trans-61.6179.7170.700000114.1R27 D169 A257 D258R27-G295 PolarHBondContact NH1-O 3.02Å; D169-G295 VanDerWaalsContact OD2-CA 3.32Å; D169-G295 WeakPolarHBondContact OD2-CA 3.43Å; D169-G295 PolarHBondContact OD2-N 3.09Å; A257-G295 PolarHBondContact N-O 3.31Å; D258-G295 VanDerWaalsContact OD2-CA 3.31Å; D258-G295 WeakPolarHBondContact OD2-CA 3.44Å
296G98Very high98.2Very high0 Ų015.5 Ų15.50%010%0.097CC..  trans124.3112.1-176.300000112.5R27 V302R27-G296 PolarHBondContact NH1-O 3.05Å; G296-V302 WeakPolarHBondContact O-CG2 3.4Å
297Y97.7Very high98.3Very high10 Ų1012.2 Ų12.24%0.0396%0.064CC..SBendtrans-120.30.9-164.7-50.5-67.7000112.9P22 M23 F143 D258 D263 R264 L265P22-Y297 HydrophobicContact CB-CD1 3.9Å; P22-Y297 HydrophobicContact CB-CG 4.15Å; P22-Y297 HydrophobicContact CG-CD1 4.48Å; M23-Y297 HydrophobicContact CE-CE1 3.88Å; F143-Y297 HydrophobicContact CD2-CD1 4.44Å; F143-Y297 AromaticContact CD2-CE1 3.46Å; F143-Y297 HydrophobicContact CD2-CE1 3.46Å; F143-Y297 VanDerWaalsContact CD2-CE1 3.46Å; F143-Y297 AromaticContact CD2-CZ 3.83Å; F143-Y297 HydrophobicContact CE2-CD1 4.11Å; F143-Y297 AromaticContact CE2-CE1 3.4Å; F143-Y297 HydrophobicContact CE2-CE1 3.4Å; F143-Y297 AromaticContact CE2-CZ 3.66Å; D258-Y297 HydrophobicContact CB-CD2 4Å; D258-Y297 HydrophobicContact CB-CE2 3.79Å; D258-Y297 WeakPolarHBondContact OD2-CE2 3.41Å; D263-Y297 PolarHBondContact OD1-N 3.01Å; D263-Y297 WeakPolarHBondContact OD2-CD2 3.45Å; R264-Y297 VanDerWaalsContact CD-O 3.29Å; R264-Y297 WeakPolarHBondContact CD-O 3.42Å; R264-Y297 PolarHBondContact NE-O 3.48Å; L265-Y297 HydrophobicContact CB-CD2 3.6Å; L265-Y297 HydrophobicContact CB-CE2 3.87Å; L265-Y297 HydrophobicContact CB-CG 4.47Å; L265-Y297 HydrophobicContact CD1-CD1 4.19Å; L265-Y297 HydrophobicContact CD1-CD2 3.58Å; L265-Y297 HydrophobicContact CD1-CE1 4.27Å; L265-Y297 HydrophobicContact CD1-CE2 3.66Å; L265-Y297 HydrophobicContact CD1-CG 3.85Å; L265-Y297 HydrophobicContact CG-CD2 3.6Å; L265-Y297 HydrophobicContact CG-CE2 4.07Å; L265-Y297 HydrophobicContact CG-CG 3.99Å
298T96.9Very high98.3Very high16 Ų1612.4 Ų12.410%0.0986%0.063CC..SBendtrans-102.886.4161.4-63.80000109.3D262 D263 R300 N301 V302D262-T298 PolarHBondContact O-OG1 3.1Å; D263-T298 PolarHBondContact OD1-N 3.45Å; T298-R300 VanDerWaalsContact C-N 3.26Å; T298-R300 HydrophobicContact CG2-CG 3.92Å; T298-R300 PolarHBondContact O-N 2.99Å; T298-N301 HydrophobicContact CG2-CB 3.97Å; T298-N301 WeakPolarHBondContact O-CA 3.26Å; T298-N301 PolarHBondContact O-N 2.68Å; T298-V302 PolarHBondContact O-N 3.25Å; T298-V302 VanDerWaalsContact O-N 3.1Å
299A96.7Very high98.3Very high25 Ų2510.5 Ų10.521%0.2075%0.05CC..Hα-helixtrans-47.1-39.2-169.500000115.8R27 M30 V302 A303R27-A299 HydrophobicContact CB-CB 3.86Å; M30-A299 HydrophobicContact SD-CB 4.09Å; A299-V302 PolarHBondContact O-N 2.83Å; A299-A303 PolarHBondContact O-N 3.23Å
300R97Very high98.3Very high106 Ų10610.4 Ų10.440%0.45%0.05SC..Hα-helixtrans-66.7-34.8176.263.6-175.5174.4-179.7-1.5113.7M30 T298 R304 S331 Y332 G333M30-R300 HydrophobicContact CE-CB 4.05Å; T298-R300 VanDerWaalsContact C-N 3.26Å; T298-R300 HydrophobicContact CG2-CG 3.92Å; T298-R300 PolarHBondContact O-N 2.99Å; R300-R304 WeakPolarHBondContact O-CD 3.47Å; R300-R304 VanDerWaalsContact O-CG 3.24Å; R300-R304 WeakPolarHBondContact O-CG 3.47Å; R300-R304 PolarHBondContact O-N 3.4Å; R300-R304 VanDerWaalsContact O-N 3.12Å; R300-S331 WeakPolarHBondContact CD-O 3.4Å; R300-S331 PolarHBondContact NH1-O 2.84Å; R300-Y332 HydrophobicContact CB-CD1 3.98Å; R300-Y332 HydrophobicContact CB-CE1 3.9Å; R300-G333 PolarHBondContact NH1-O 2.95Å
301N97.9Very high98.3Very high16 Ų1610.5 Ų10.59%0.0865%0.05CC..Hα-helixtrans-77-35.7177.8-70.60.1000110.5T298 R304 C305T298-N301 HydrophobicContact CG2-CB 3.97Å; T298-N301 WeakPolarHBondContact O-CA 3.26Å; T298-N301 PolarHBondContact O-N 2.68Å; N301-R304 PolarHBondContact O-N 2.99Å; N301-R304 PolarHBondContact OD1-NH1 2.85Å; N301-R304 VanDerWaalsContact OD1-NH1 3.08Å; N301-C305 WeakPolarHBondContact O-CB 3.4Å; N301-C305 PolarHBondContact O-N 3.25Å
302V98.6Very high98.3Very high1 Ų110.9 Ų10.91%0.0065%0.053CC..Hα-helixtrans-57.1-51.5170-178.80000110.8R27 A257 G296 T298 A299 R304 C305 W306R27-V302 HydrophobicContact CB-CB 4.3Å; R27-V302 HydrophobicContact CB-CG1 4.26Å; R27-V302 HydrophobicContact CG-CG1 4.17Å; A257-V302 HydrophobicContact CB-CB 4.31Å; A257-V302 HydrophobicContact CB-CG1 4.2Å; A257-V302 HydrophobicContact CB-CG2 4.03Å; G296-V302 WeakPolarHBondContact O-CG2 3.4Å; T298-V302 PolarHBondContact O-N 3.25Å; T298-V302 VanDerWaalsContact O-N 3.1Å; A299-V302 PolarHBondContact O-N 2.83Å; V302-R304 VanDerWaalsContact C-N 3.33Å; V302-R304 PolarHBondContact O-N 3.04Å; V302-C305 PolarHBondContact O-N 3.29Å; V302-C305 VanDerWaalsContact O-N 3.15Å; V302-W306 HydrophobicContact CG1-CD2 3.58Å; V302-W306 HydrophobicContact CG1-CE3 3.54Å; V302-W306 HydrophobicContact CG1-CG 4.4Å; V302-W306 HydrophobicContact CG1-CH2 3.54Å; V302-W306 HydrophobicContact CG1-CZ2 3.55Å; V302-W306 HydrophobicContact CG1-CZ3 3.54Å; V302-W306 PolarHBondContact O-N 2.99Å
303A98.5Very high98.3Very high0 Ų010.9 Ų10.90%05%0.053CC..Hα-helixtrans-60.1-42.2179.600000112.7M30 T31 L34 A299 A307M30-A303 HydrophobicContact CB-CB 3.64Å; T31-A303 WeakPolarHBondContact OG1-CA 3.32Å; L34-A303 HydrophobicContact CD1-CB 3.91Å; L34-A303 WeakPolarHBondContact CD1-O 3.21Å; A299-A303 PolarHBondContact O-N 3.23Å; A303-A307 WeakPolarHBondContact O-CB 3.21Å; A303-A307 PolarHBondContact O-N 3.03Å
304R98.6Very high98.3Very high6 Ų611.8 Ų11.82%0.0236%0.058CC..Hα-helixtrans-60.1-46.9173.7-74.8166.5164.5138.80.7112.2I272 R300 N301 V302 A307 Y308 I322 Y332 S335 A337 L338I272-R304 HydrophobicContact CD1-CB 3.55Å; I272-R304 HydrophobicContact CD1-CG 4.43Å; R300-R304 WeakPolarHBondContact O-CD 3.47Å; R300-R304 VanDerWaalsContact O-CG 3.24Å; R300-R304 WeakPolarHBondContact O-CG 3.47Å; R300-R304 PolarHBondContact O-N 3.4Å; R300-R304 VanDerWaalsContact O-N 3.12Å; N301-R304 PolarHBondContact O-N 2.99Å; N301-R304 PolarHBondContact OD1-NH1 2.85Å; N301-R304 VanDerWaalsContact OD1-NH1 3.08Å; V302-R304 VanDerWaalsContact C-N 3.33Å; V302-R304 PolarHBondContact O-N 3.04Å; R304-A307 PolarHBondContact O-N 3.24Å; R304-Y308 WeakPolarHBondContact O-CB 3.5Å; R304-Y308 PolarHBondContact O-N 2.96Å; R304-I322 HydrophobicContact CG-CD1 4.36Å; R304-Y332 HydrophobicContact CG-CD1 4.32Å; R304-Y332 HydrophobicContact CG-CE1 4.17Å; R304-Y332 PolarHBondContact NH2-O 3.35Å; R304-S335 PolarHBondContact NH2-OG 3.31Å; R304-A337 PolarHBondContact NE-O 2.92Å; R304-A337 PolarHBondContact NH2-O 3.49Å; R304-L338 HydrophobicContact CB-CD1 4.08Å; R304-L338 VanDerWaalsContact CB-O 3.32Å; R304-L338 WeakPolarHBondContact CB-O 3.29Å; R304-L338 WeakPolarHBondContact CD-O 3.19Å; R304-L338 HydrophobicContact CG-CD1 4.17Å; R304-L338 VanDerWaalsContact CG-O 3.26Å; R304-L338 WeakPolarHBondContact CG-O 3.5Å
305C98.8Very high98.2Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-62.1-56.2-178-166.30000111.3A257 L260 I272 N301 V302 A307 Y308 E309A257-C305 HydrophobicContact CB-CB 4.3Å; L260-C305 HydrophobicContact CD1-CB 3.69Å; I272-C305 HydrophobicContact CG1-CB 4.19Å; N301-C305 WeakPolarHBondContact O-CB 3.4Å; N301-C305 PolarHBondContact O-N 3.25Å; V302-C305 PolarHBondContact O-N 3.29Å; V302-C305 VanDerWaalsContact O-N 3.15Å; C305-A307 VanDerWaalsContact C-N 3.27Å; C305-A307 PolarHBondContact O-N 2.91Å; C305-Y308 CarbonylContact O-C 3.54Å; C305-Y308 WeakPolarHBondContact O-CA 3.47Å; C305-Y308 WeakPolarHBondContact O-CB 3.41Å; C305-Y308 PolarHBondContact O-N 3.49Å; C305-E309 WeakPolarHBondContact O-CG 3.49Å; C305-E309 PolarHBondContact O-N 3.13Å
306W98.9Very high98.2Very high0 Ų021.2 Ų21.20%010%0.099CC..Hα-helixtrans-64.9-29.8-178.5-65.1-16.5000112.8R27 I28 T31 W128 C255 G293 V302 T310R27-W306 HydrophobicContact CG-CZ3 4.34Å; I28-W306 HydrophobicContact CG1-CZ3 4.48Å; T31-W306 HydrophobicContact CG2-CB 3.55Å; T31-W306 HydrophobicContact CG2-CE3 4.21Å; W128-W306 HydrophobicContact CB-CD2 4.22Å; W128-W306 HydrophobicContact CB-CE3 3.68Å; W128-W306 HydrophobicContact CB-CZ3 4.03Å; W128-W306 HydrophobicContact CD2-CB 3.73Å; W128-W306 HydrophobicContact CD2-CD2 4.1Å; W128-W306 HydrophobicContact CD2-CE3 4.42Å; W128-W306 AromaticContact CD2-CG 3.81Å; W128-W306 HydrophobicContact CD2-CG 3.81Å; W128-W306 HydrophobicContact CE3-CB 3.9Å; W128-W306 AromaticContact CE3-CD1 3.6Å; W128-W306 AromaticContact CE3-CD2 3.75Å; W128-W306 HydrophobicContact CE3-CD2 3.75Å; W128-W306 HydrophobicContact CE3-CE3 4.4Å; W128-W306 AromaticContact CE3-CG 3.5Å; W128-W306 HydrophobicContact CE3-CG 3.5Å; W128-W306 VanDerWaalsContact CE3-CG 3.5Å; W128-W306 AromaticContact CE3-NE1 3.93Å; W128-W306 HydrophobicContact CG-CB 4.16Å; W128-W306 HydrophobicContact CG-CD2 4.31Å; W128-W306 HydrophobicContact CG-CE3 4.15Å; W128-W306 HydrophobicContact CG-CG 4.36Å; W128-W306 HydrophobicContact CH2-CB 4.39Å; W128-W306 HydrophobicContact CH2-CG 4.47Å; W128-W306 HydrophobicContact CZ2-CB 4.23Å; W128-W306 WeakPolarHBondContact CZ2-O 3.35Å; W128-W306 HydrophobicContact CZ3-CB 4.22Å; W128-W306 AromaticContact CZ3-CD1 3.56Å; W128-W306 HydrophobicContact CZ3-CD2 4.48Å; W128-W306 AromaticContact CZ3-CG 3.86Å; W128-W306 HydrophobicContact CZ3-CG 3.86Å; W128-W306 WeakPolarHBondContact O-CH2 3.26Å; W128-W306 WeakPolarHBondContact O-CZ3 3.39Å; C255-W306 PolarHBondContact O-NE1 3.24Å; G293-W306 VanDerWaalsContact CA-CZ2 3.45Å; V302-W306 HydrophobicContact CG1-CD2 3.58Å; V302-W306 HydrophobicContact CG1-CE3 3.54Å; V302-W306 HydrophobicContact CG1-CG 4.4Å; V302-W306 HydrophobicContact CG1-CH2 3.54Å; V302-W306 HydrophobicContact CG1-CZ2 3.55Å; V302-W306 HydrophobicContact CG1-CZ3 3.54Å; V302-W306 PolarHBondContact O-N 2.99Å; W306-T310 WeakPolarHBondContact O-CB 3.33Å; W306-T310 PolarHBondContact O-N 3.21Å; W306-T310 PolarHBondContact O-OG1 3.45Å
307A98.8Very high98.2Very high0 Ų028.9 Ų28.90%014%0.135CC..Hα-helixtrans-67-44.6170.200000112.4L34 L35 A303 R304 C305 T310 A311L34-A307 HydrophobicContact CB-CB 3.8Å; L34-A307 HydrophobicContact CD1-CB 3.97Å; L35-A307 HydrophobicContact CD2-CB 4.13Å; A303-A307 WeakPolarHBondContact O-CB 3.21Å; A303-A307 PolarHBondContact O-N 3.03Å; R304-A307 PolarHBondContact O-N 3.24Å; C305-A307 VanDerWaalsContact C-N 3.27Å; C305-A307 PolarHBondContact O-N 2.91Å; A307-T310 PolarHBondContact O-N 2.96Å; A307-A311 PolarHBondContact O-N 2.74Å; A307-A311 VanDerWaalsContact O-N 3.12Å
308Y98.9Very high98.1Very high34 Ų3429.8 Ų29.813%0.13314%0.14CC..Hα-helixtrans-62.2-46.2175.4-176.2-87.9000111.3I272 R280 R304 C305 T310 A311 V312 L338I272-Y308 VanDerWaalsContact CG2-CB 3.48Å; I272-Y308 HydrophobicContact CG2-CD1 3.91Å; I272-Y308 HydrophobicContact CG2-CD2 4.1Å; I272-Y308 HydrophobicContact CG2-CG 3.56Å; R280-Y308 PolarHBondContact NH2-OH 3Å; R304-Y308 WeakPolarHBondContact O-CB 3.5Å; R304-Y308 PolarHBondContact O-N 2.96Å; C305-Y308 CarbonylContact O-C 3.54Å; C305-Y308 WeakPolarHBondContact O-CA 3.47Å; C305-Y308 WeakPolarHBondContact O-CB 3.41Å; C305-Y308 PolarHBondContact O-N 3.49Å; Y308-T310 VanDerWaalsContact C-N 3.34Å; Y308-T310 PolarHBondContact O-N 2.98Å; Y308-A311 WeakPolarHBondContact O-CA 3.35Å; Y308-A311 WeakPolarHBondContact O-CB 3.46Å; Y308-A311 PolarHBondContact O-N 2.95Å; Y308-A311 VanDerWaalsContact O-N 3.07Å; Y308-V312 HydrophobicContact CD1-CG2 3.93Å; Y308-V312 HydrophobicContact CE1-CG2 3.59Å; Y308-V312 WeakPolarHBondContact O-CG2 3.34Å; Y308-V312 PolarHBondContact O-N 3Å; Y308-L338 HydrophobicContact CD2-CD2 4.12Å
309E98.8Very high98.1Very high0 Ų033.1 Ų33.10%016%0.162CC..Hα-helixtrans-63.4-38.3177.3-69-178.8147.100112.7W128 C255 H275 V279 C305 A311 V312 L313W128-E309 HydrophobicContact CH2-CB 3.86Å; W128-E309 WeakPolarHBondContact CH2-OE2 3.41Å; W128-E309 HydrophobicContact CZ2-CB 4.22Å; C255-E309 WeakPolarHBondContact CB-OE2 3.38Å; H275-E309 IonicContact CE1-OE1 2.88Å; H275-E309 PolarHBondContact CE1-OE1 3.04Å; H275-E309 VanDerWaalsContact CE1-OE1 3.24Å; H275-E309 IonicContact CG-OE1 3.57Å; H275-E309 IonicContact ND1-OE1 3.86Å; H275-E309 PolarHBondContact ND1-OE1 3.12Å; V279-E309 HydrophobicContact CG2-CB 4.31Å; V279-E309 HydrophobicContact CG2-CG 3.83Å; V279-E309 WeakPolarHBondContact CG2-OE1 3.45Å; C305-E309 WeakPolarHBondContact O-CG 3.49Å; C305-E309 PolarHBondContact O-N 3.13Å; E309-A311 VanDerWaalsContact C-N 3.26Å; E309-A311 PolarHBondContact O-N 3.23Å; E309-V312 WeakPolarHBondContact O-CB 3.2Å; E309-V312 PolarHBondContact O-N 3.31Å; E309-L313 VanDerWaalsContact O-CG 3.28Å; E309-L313 WeakPolarHBondContact O-CG 3.22Å; E309-L313 PolarHBondContact O-N 3.42Å
310T98.9Very high98.2Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-59.7-40.9172.3-57.30000110.8L35 L40 M44 I126 W128 W306 A307 Y308 L313 L314L35-T310 HydrophobicContact CD1-CG2 4.33Å; L35-T310 HydrophobicContact CD2-CG2 3.7Å; L35-T310 WeakPolarHBondContact CD2-OG1 3.46Å; L40-T310 HydrophobicContact CB-CG2 4.42Å; L40-T310 HydrophobicContact CD1-CG2 4.11Å; M44-T310 HydrophobicContact CE-CG2 3.69Å; M44-T310 HydrophobicContact SD-CG2 3.78Å; I126-T310 HydrophobicContact CD1-CG2 4.35Å; W128-T310 VanDerWaalsContact CZ2-OG1 3.3Å; W128-T310 WeakPolarHBondContact CZ2-OG1 3.34Å; W128-T310 PolarHBondContact NE1-OG1 2.99Å; W306-T310 WeakPolarHBondContact O-CB 3.33Å; W306-T310 PolarHBondContact O-N 3.21Å; W306-T310 PolarHBondContact O-OG1 3.45Å; A307-T310 PolarHBondContact O-N 2.96Å; Y308-T310 VanDerWaalsContact C-N 3.34Å; Y308-T310 PolarHBondContact O-N 2.98Å; T310-L313 PolarHBondContact O-N 3.1Å; T310-L314 HydrophobicContact CG2-CD1 3.9Å; T310-L314 WeakPolarHBondContact O-CB 3.42Å; T310-L314 WeakPolarHBondContact O-CD1 3.21Å; T310-L314 VanDerWaalsContact O-CG 3.29Å; T310-L314 WeakPolarHBondContact O-CG 3.5Å; T310-L314 PolarHBondContact O-N 3.48Å
311A98.7Very high98.2Very high2 Ų238 Ų382%0.01718%0.182CC..Hα-helixtrans-66.4-39.3175.500000112.7L40 A307 Y308 E309 L313 L314 D315 R316 L318L40-A311 HydrophobicContact CD1-CB 4.11Å; L40-A311 HydrophobicContact CD2-CB 4.37Å; A307-A311 PolarHBondContact O-N 2.74Å; A307-A311 VanDerWaalsContact O-N 3.12Å; Y308-A311 WeakPolarHBondContact O-CA 3.35Å; Y308-A311 WeakPolarHBondContact O-CB 3.46Å; Y308-A311 PolarHBondContact O-N 2.95Å; Y308-A311 VanDerWaalsContact O-N 3.07Å; E309-A311 VanDerWaalsContact C-N 3.26Å; E309-A311 PolarHBondContact O-N 3.23Å; A311-L313 VanDerWaalsContact C-N 3.34Å; A311-L313 PolarHBondContact O-N 3.14Å; A311-L314 CarbonylContact O-C 3.58Å; A311-L314 PolarHBondContact O-N 3.15Å; A311-L314 VanDerWaalsContact O-N 3.12Å; A311-D315 PolarHBondContact O-N 3.48Å; A311-R316 CarbonylContact C-O 3.54Å; A311-R316 HydrophobicContact CB-CB 4.33Å; A311-R316 WeakPolarHBondContact CB-O 3.44Å; A311-R316 PolarHBondContact O-N 3.3Å; A311-L318 HydrophobicContact CB-CD1 3.64Å; A311-L318 HydrophobicContact CB-CD2 4.07Å; A311-L318 HydrophobicContact CB-CG 3.5Å
312V98.7Very high98.2Very high8 Ų837.3 Ų37.35%0.04818%0.179CC..Hα-helixtrans-58.1-46.6171.6171.50000111.1V279 R280 K283 Y308 E309 L314 D315V279-V312 HydrophobicContact CG1-CG1 4.37Å; R280-V312 HydrophobicContact CB-CG1 3.56Å; R280-V312 HydrophobicContact CG-CG1 4.13Å; K283-V312 PolarHBondContact NZ-O 2.86Å; K283-V312 VanDerWaalsContact NZ-O 3.15Å; Y308-V312 HydrophobicContact CD1-CG2 3.93Å; Y308-V312 HydrophobicContact CE1-CG2 3.59Å; Y308-V312 WeakPolarHBondContact O-CG2 3.34Å; Y308-V312 PolarHBondContact O-N 3Å; E309-V312 WeakPolarHBondContact O-CB 3.2Å; E309-V312 PolarHBondContact O-N 3.31Å; V312-L314 PolarHBondContact O-N 3.25Å; V312-D315 PolarHBondContact O-N 3.43Å; V312-D315 VanDerWaalsContact O-N 3.15Å
313L98.7Very high98.2Very high0 Ų038.2 Ų38.20%018%0.184CC..Hα-helixtrans-60.1-35.4177-67.8169.5000111.3I4 I124 I126 V279 K283 M289 V291 E309 T310 A311I4-L313 HydrophobicContact CD1-CB 4.01Å; I4-L313 WeakPolarHBondContact CD1-O 3.14Å; I124-L313 HydrophobicContact CD1-CD2 4.09Å; I124-L313 HydrophobicContact CG2-CD1 4.45Å; I124-L313 HydrophobicContact CG2-CD2 4.18Å; I126-L313 HydrophobicContact CD1-CB 4.47Å; I126-L313 HydrophobicContact CD1-CD1 3.5Å; I126-L313 VanDerWaalsContact CD1-CD1 3.5Å; I126-L313 HydrophobicContact CG1-CD1 3.91Å; V279-L313 HydrophobicContact CG1-CD1 4.32Å; V279-L313 HydrophobicContact CG1-CD2 3.55Å; V279-L313 HydrophobicContact CG1-CG 3.78Å; K283-L313 HydrophobicContact CB-CD2 4.4Å; K283-L313 HydrophobicContact CD-CD2 4.44Å; K283-L313 WeakPolarHBondContact CE-O 3.42Å; K283-L313 HydrophobicContact CG-CD2 4.46Å; K283-L313 PolarHBondContact NZ-O 3.36Å; M289-L313 HydrophobicContact SD-CD2 4.25Å; V291-L313 HydrophobicContact CB-CD1 4.34Å; V291-L313 HydrophobicContact CG1-CD1 4.29Å; V291-L313 HydrophobicContact CG2-CD1 3.96Å; V291-L313 HydrophobicContact CG2-CD2 4.28Å; E309-L313 VanDerWaalsContact O-CG 3.28Å; E309-L313 WeakPolarHBondContact O-CG 3.22Å; E309-L313 PolarHBondContact O-N 3.42Å; T310-L313 PolarHBondContact O-N 3.1Å; A311-L313 VanDerWaalsContact C-N 3.34Å; A311-L313 PolarHBondContact O-N 3.14Å
314L98.3Very high98.1Very high19 Ų1944 Ų4410%0.09921%0.211CC..THydrogen-bonded Turntrans-85.72.1178.4-67.9166.1000115.7I4 L40 A43 M44 T310 A311 V312 R316I4-L314 HydrophobicContact CB-CD2 4.35Å; I4-L314 HydrophobicContact CD1-CD2 3.55Å; I4-L314 HydrophobicContact CD1-CG 4Å; I4-L314 HydrophobicContact CG1-CD2 4.26Å; L40-L314 HydrophobicContact CB-CD1 3.97Å; L40-L314 HydrophobicContact CD2-CD1 3.92Å; L40-L314 HydrophobicContact CG-CD1 4.41Å; A43-L314 HydrophobicContact CB-CD1 4.06Å; A43-L314 HydrophobicContact CB-CD2 3.81Å; A43-L314 WeakPolarHBondContact O-CD2 3.31Å; M44-L314 HydrophobicContact CE-CD1 4.43Å; M44-L314 HydrophobicContact CG-CD1 4.08Å; M44-L314 HydrophobicContact CG-CD2 3.65Å; M44-L314 HydrophobicContact CG-CG 4.29Å; M44-L314 HydrophobicContact SD-CD1 4.1Å; M44-L314 HydrophobicContact SD-CD2 4.4Å; M44-L314 HydrophobicContact SD-CG 4.47Å; T310-L314 HydrophobicContact CG2-CD1 3.9Å; T310-L314 WeakPolarHBondContact O-CB 3.42Å; T310-L314 WeakPolarHBondContact O-CD1 3.21Å; T310-L314 VanDerWaalsContact O-CG 3.29Å; T310-L314 WeakPolarHBondContact O-CG 3.5Å; T310-L314 PolarHBondContact O-N 3.48Å; A311-L314 CarbonylContact O-C 3.58Å; A311-L314 PolarHBondContact O-N 3.15Å; A311-L314 VanDerWaalsContact O-N 3.12Å; V312-L314 PolarHBondContact O-N 3.25Å; L314-R316 HydrophobicContact CB-CB 4.45Å; L314-R316 HydrophobicContact CB-CG 4.06Å; L314-R316 PolarHBondContact O-N 3.15Å
315D97.7Very high98Very high102 Ų10249.8 Ų49.855%0.54524%0.239SC..THydrogen-bonded Turntrans52.940.7-171.1-62.5-51.4000112.6K283 A311 V312K283-D315 IonicContact NZ-OD1 2.62Å; K283-D315 PolarHBondContact NZ-OD1 2.81Å; K283-D315 IonicContact NZ-OD2 3.73Å; K283-D315 PolarHBondContact NZ-OD2 3.24Å; A311-D315 PolarHBondContact O-N 3.48Å; V312-D315 PolarHBondContact O-N 3.43Å; V312-D315 VanDerWaalsContact O-N 3.15Å
316R97.5Very high98Very high101 Ų10149.9 Ų49.938%0.38124%0.239SC..  trans-113.9137.2178.9-70.1-172.5173.4-160.7-0.5111.1D39 L40 A311 L314D39-R316 PolarHBondContact O-NH1 3.34Å; L40-R316 HydrophobicContact CD2-CB 4.41Å; A311-R316 CarbonylContact C-O 3.54Å; A311-R316 HydrophobicContact CB-CB 4.33Å; A311-R316 WeakPolarHBondContact CB-O 3.44Å; A311-R316 PolarHBondContact O-N 3.3Å; L314-R316 HydrophobicContact CB-CB 4.45Å; L314-R316 HydrophobicContact CB-CG 4.06Å; L314-R316 PolarHBondContact O-N 3.15Å
317E96.7Very high97.9Very high161 Ų16155.9 Ų55.975%0.75227%0.27SS*.PPolyproline II helixtrans-89.5128.4166.9-65.3-60.6152.400109
318L97Very high97.8Very high29 Ų2957 Ų5715%0.15228%0.275CS..PPolyproline II helixtrans-97.4144174.2-64.8-177000110.2Y38 L40 A311 D320 L338Y38-L318 HydrophobicContact CD1-CB 4.4Å; Y38-L318 HydrophobicContact CD1-CD1 4.28Å; Y38-L318 HydrophobicContact CD1-CD2 3.79Å; Y38-L318 HydrophobicContact CD1-CG 4.38Å; Y38-L318 HydrophobicContact CD2-CD1 3.95Å; Y38-L318 HydrophobicContact CE1-CB 4.3Å; Y38-L318 HydrophobicContact CE1-CD1 4.48Å; Y38-L318 HydrophobicContact CE2-CD1 4.17Å; Y38-L318 HydrophobicContact CG-CD1 4.01Å; Y38-L318 HydrophobicContact CG-CD2 3.86Å; Y38-L318 HydrophobicContact CG-CG 4.47Å; L40-L318 HydrophobicContact CD1-CD1 4.23Å; L40-L318 HydrophobicContact CD1-CD2 4.35Å; L40-L318 HydrophobicContact CD2-CD2 4.01Å; L40-L318 HydrophobicContact CG-CD2 4.38Å; A311-L318 HydrophobicContact CB-CD1 3.64Å; A311-L318 HydrophobicContact CB-CD2 4.07Å; A311-L318 HydrophobicContact CB-CG 3.5Å; L318-D320 PolarHBondContact O-N 2.97Å; L318-L338 HydrophobicContact CB-CD2 3.76Å; L318-L338 HydrophobicContact CD1-CD2 3.61Å; L318-L338 HydrophobicContact CG-CD2 4.34Å
319P97.2Very high97.8Very high85 Ų8557.5 Ų57.555%0.55228%0.28SS*.PPolyproline II helixtrans-62.6139.3166.327-30.3000109.2Y38 R321Y38-P319 HydrophobicContact CD1-CG 4.43Å; Y38-P319 HydrophobicContact CE1-CG 4Å; P319-R321 PolarHBondContact O-N 3.14Å
320D97.7Very high97.7Very high94 Ų9462.2 Ų62.250%0.50331%0.312SS..SBendtrans-76.353.6176.3-173.324.4000111.9L318 L338 C339L318-D320 PolarHBondContact O-N 2.97Å; D320-L338 WeakPolarHBondContact OD1-CA 3.43Å; D320-L338 WeakPolarHBondContact OD1-CB 3.09Å; D320-L338 PolarHBondContact OD1-N 3.28Å; D320-C339 PolarHBondContact OD1-N 3Å
321R97.6Very high97.6Very high140 Ų14064.1 Ų64.153%0.52833%0.325SS..SBendtrans-154.4120179.7-171.8175.4-167.9-116.6-1.6109.2Y38 P319 E324Y38-R321 PolarHBondContact OH-O 2.89Å; Y38-R321 VanDerWaalsContact OH-O 3.04Å; P319-R321 PolarHBondContact O-N 3.14Å; R321-E324 IonicContact CZ-OE1 2.75Å; R321-E324 IonicContact NH1-OE1 2.8Å; R321-E324 PolarHBondContact NH1-OE1 3.19Å; R321-E324 IonicContact NH2-OE1 3.66Å; R321-E324 PolarHBondContact NH2-OE1 3.04Å
322I98.3Very high97.5Very high2 Ų264 Ų641%0.0133%0.325CS..  trans-60.8129.9174.3-56.3-54.3000109L34 Y38 R304 E324 N326 I329 Y332 Y336 L338L34-I322 HydrophobicContact CD1-CD1 4.46Å; L34-I322 HydrophobicContact CD2-CD1 3.89Å; L34-I322 HydrophobicContact CD2-CG2 3.71Å; Y38-I322 HydrophobicContact CE2-CD1 4.44Å; Y38-I322 WeakPolarHBondContact OH-CA 3.38Å; R304-I322 HydrophobicContact CG-CD1 4.36Å; I322-E324 PolarHBondContact O-N 3.32Å; I322-N326 HydrophobicContact CG2-CB 4.12Å; I322-I329 HydrophobicContact CB-CD1 4.2Å; I322-I329 HydrophobicContact CG2-CD1 3.89Å; I322-Y332 HydrophobicContact CG1-CD1 4.26Å; I322-Y332 HydrophobicContact CG1-CD2 4.3Å; I322-Y332 HydrophobicContact CG1-CG 3.98Å; I322-Y332 HydrophobicContact CG2-CD2 3.85Å; I322-Y332 HydrophobicContact CG2-CE2 4.11Å; I322-Y332 HydrophobicContact CG2-CG 4.37Å; I322-Y336 WeakPolarHBondContact CG1-O 3.42Å; I322-Y336 PolarHBondContact N-O 3.29Å; I322-L338 HydrophobicContact CD1-CB 4.2Å; I322-L338 HydrophobicContact CD1-CD1 3.88Å
323P97.9Very high97.3Very high19 Ų1964.4 Ų64.412%0.12333%0.33CS..  trans-56.9132.9177.8-26.635.3000112.1D37 Y38 Q325 N326D37-P323 HydrophobicContact CB-CB 3.85Å; D37-P323 HydrophobicContact CB-CG 3.78Å; Y38-P323 HydrophobicContact CD1-CG 4.05Å; Y38-P323 HydrophobicContact CE1-CG 4Å; Y38-P323 HydrophobicContact CG-CG 4.39Å; P323-Q325 PolarHBondContact O-N 3.31Å; P323-N326 WeakPolarHBondContact O-CB 3.33Å; P323-N326 PolarHBondContact O-N 3.16Å
324E96.4Very high97Very high121 Ų12170.5 Ų70.557%0.56537%0.37SS*.THydrogen-bonded Turntrans-63.8-29.4-173.3-68.5179.5-165.500113.1R321 I322 N326R321-E324 IonicContact CZ-OE1 2.75Å; R321-E324 IonicContact NH1-OE1 2.8Å; R321-E324 PolarHBondContact NH1-OE1 3.19Å; R321-E324 IonicContact NH2-OE1 3.66Å; R321-E324 PolarHBondContact NH2-OE1 3.04Å; I322-E324 PolarHBondContact O-N 3.32Å; E324-N326 PolarHBondContact O-N 3.11Å
325Q96.9Very high96.8Very high128 Ų12872.3 Ų72.360%0.59838%0.384SS*.THydrogen-bonded Turntrans-73.3-4.9176.970.7-8414.300113.8P323 I327P323-Q325 PolarHBondContact O-N 3.31Å; Q325-I327 PolarHBondContact O-N 3.34Å
326N97.9Very high96.8Very high2 Ų272.4 Ų72.41%0.01138%0.378CS..  trans-61.5128.6-178.6-172.9-90.7000111.4A33 D37 I322 P323 E324 F328 I329A33-N326 PolarHBondContact O-ND2 2.79Å; D37-N326 WeakPolarHBondContact OD2-CA 3.39Å; D37-N326 VanDerWaalsContact OD2-CB 3.23Å; D37-N326 WeakPolarHBondContact OD2-CB 3.38Å; D37-N326 PolarHBondContact OD2-ND2 3.38Å; I322-N326 HydrophobicContact CG2-CB 4.12Å; P323-N326 WeakPolarHBondContact O-CB 3.33Å; P323-N326 PolarHBondContact O-N 3.16Å; E324-N326 PolarHBondContact O-N 3.11Å; N326-F328 PolarHBondContact O-N 3.04Å; N326-F328 WeakPolarHBondContact OD1-CA 3.31Å; N326-F328 WeakPolarHBondContact OD1-CB 3.42Å; N326-F328 PolarHBondContact OD1-N 2.97Å; N326-I329 VanDerWaalsContact O-CB 3.22Å; N326-I329 WeakPolarHBondContact O-CB 3.38Å; N326-I329 WeakPolarHBondContact O-CG2 3.41Å; N326-I329 PolarHBondContact O-N 3.46Å
327I97.3Very high96.8Very high127 Ų12768.3 Ų68.365%0.65137%0.365SS*.THydrogen-bonded Turntrans-61-18.3-176.663.8174.4000113.5A33 Q325A33-I327 HydrophobicContact CB-CD1 4.28Å; A33-I327 HydrophobicContact CB-CG1 4.13Å; Q325-I327 PolarHBondContact O-N 3.34Å
328F97.2Very high96.9Very high22 Ų2260.7 Ų60.710%0.09633%0.33CS..THydrogen-bonded Turntrans-10816176.8-53.7-64.3000113.2R26 V29 M30 A33 N326 S330 S331 Y332R26-F328 VanDerWaalsContact NH2-CD1 3.32Å; R26-F328 VanDerWaalsContact NH2-CE1 3.33Å; V29-F328 HydrophobicContact CG1-CE2 4.16Å; V29-F328 HydrophobicContact CG1-CZ 4.04Å; M30-F328 HydrophobicContact CB-CD2 4.05Å; M30-F328 HydrophobicContact CB-CE2 4.25Å; M30-F328 HydrophobicContact CE-CB 4.36Å; M30-F328 HydrophobicContact CG-CB 4.47Å; M30-F328 HydrophobicContact CG-CD1 4.29Å; M30-F328 HydrophobicContact CG-CD2 3.62Å; M30-F328 HydrophobicContact CG-CE1 4.45Å; M30-F328 HydrophobicContact CG-CE2 3.79Å; M30-F328 HydrophobicContact CG-CG 3.86Å; M30-F328 HydrophobicContact CG-CZ 4.21Å; A33-F328 HydrophobicContact CB-CD2 3.97Å; A33-F328 HydrophobicContact CB-CE2 3.9Å; N326-F328 PolarHBondContact O-N 3.04Å; N326-F328 WeakPolarHBondContact OD1-CA 3.31Å; N326-F328 WeakPolarHBondContact OD1-CB 3.42Å; N326-F328 PolarHBondContact OD1-N 2.97Å; F328-S330 PolarHBondContact O-N 2.79Å; F328-S331 VanDerWaalsContact O-CB 3.29Å; F328-S331 WeakPolarHBondContact O-CB 3.36Å; F328-S331 PolarHBondContact O-N 3.47Å; F328-S331 PolarHBondContact O-OG 3.23Å; F328-Y332 HydrophobicContact CB-CE2 3.99Å; F328-Y332 WeakPolarHBondContact O-CD2 3.46Å
329I97.7Very high97Very high46 Ų4660.6 Ų60.624%0.23633%0.331CS..G310 helixtrans-49-39.7-173.7-171.760.8000113.6I322 N326 S331 Y332 Y336I322-I329 HydrophobicContact CB-CD1 4.2Å; I322-I329 HydrophobicContact CG2-CD1 3.89Å; N326-I329 VanDerWaalsContact O-CB 3.22Å; N326-I329 WeakPolarHBondContact O-CB 3.38Å; N326-I329 WeakPolarHBondContact O-CG2 3.41Å; N326-I329 PolarHBondContact O-N 3.46Å; I329-S331 PolarHBondContact O-N 2.83Å; I329-Y332 PolarHBondContact O-N 2.94Å; I329-Y332 VanDerWaalsContact O-N 3.14Å; I329-Y336 HydrophobicContact CD1-CD1 3.79Å; I329-Y336 HydrophobicContact CD1-CE1 4.37Å; I329-Y336 HydrophobicContact CG1-CD1 4.16Å; I329-Y336 HydrophobicContact CG1-CE1 4.24Å; I329-Y336 WeakPolarHBondContact O-CE1 3.34Å
330S96.8Very high97Very high98 Ų9858 Ų5869%0.68532%0.315SS*.G310 helixtrans-61-24.5178.458.90000114.2F328 Y332F328-S330 PolarHBondContact O-N 2.79Å; S330-Y332 VanDerWaalsContact C-N 3.33Å
331S96.6Very high96.8Very high40 Ų4058.7 Ų58.728%0.2832%0.324SS..G310 helixtrans-77-19.6179.7-55.90000113.1R300 F328 I329R300-S331 WeakPolarHBondContact CD-O 3.4Å; R300-S331 PolarHBondContact NH1-O 2.84Å; F328-S331 VanDerWaalsContact O-CB 3.29Å; F328-S331 WeakPolarHBondContact O-CB 3.36Å; F328-S331 PolarHBondContact O-N 3.47Å; F328-S331 PolarHBondContact O-OG 3.23Å; I329-S331 PolarHBondContact O-N 2.83Å
332Y97.6Very high96.8Very high0 Ų054.1 Ų54.10%031%0.31CS..G310 helixtrans-92.6-3.7-174.7-61.5-71.6000113.8M30 L34 R300 R304 I322 F328 I329 S330 Y336M30-Y332 HydrophobicContact CE-CE1 4.23Å; L34-Y332 HydrophobicContact CD1-CE1 4.33Å; L34-Y332 WeakPolarHBondContact CD1-OH 3.23Å; L34-Y332 HydrophobicContact CD2-CE2 4.31Å; R300-Y332 HydrophobicContact CB-CD1 3.98Å; R300-Y332 HydrophobicContact CB-CE1 3.9Å; R304-Y332 HydrophobicContact CG-CD1 4.32Å; R304-Y332 HydrophobicContact CG-CE1 4.17Å; R304-Y332 PolarHBondContact NH2-O 3.35Å; I322-Y332 HydrophobicContact CG1-CD1 4.26Å; I322-Y332 HydrophobicContact CG1-CD2 4.3Å; I322-Y332 HydrophobicContact CG1-CG 3.98Å; I322-Y332 HydrophobicContact CG2-CD2 3.85Å; I322-Y332 HydrophobicContact CG2-CE2 4.11Å; I322-Y332 HydrophobicContact CG2-CG 4.37Å; F328-Y332 HydrophobicContact CB-CE2 3.99Å; F328-Y332 WeakPolarHBondContact O-CD2 3.46Å; I329-Y332 PolarHBondContact O-N 2.94Å; I329-Y332 VanDerWaalsContact O-N 3.14Å; S330-Y332 VanDerWaalsContact C-N 3.33Å; Y332-Y336 PolarHBondContact O-N 2.75Å
333G94Very high96.6Very high16 Ų1660.1 Ų60.117%0.16535%0.347CS..THydrogen-bonded Turntrans-64.3159.9173.900000113.3R300R300-G333 PolarHBondContact NH1-O 2.95Å
334P93.4Very high96.3Very high128 Ų12864.6 Ų64.683%0.83136%0.364SS*.THydrogen-bonded Turncis-84.5-10.1-0.434.2-35.9000114.1Y336P334-Y336 VanDerWaalsContact O-CD2 3.25Å; P334-Y336 WeakPolarHBondContact O-CD2 3.37Å; P334-Y336 WeakPolarHBondContact O-CE2 3.45Å
335S93.9Very high96.2Very high58 Ų5863.6 Ų63.641%0.40637%0.366SS..THydrogen-bonded Turntrans-76.8-38-174.164.70000113.2R304 A337R304-S335 PolarHBondContact NH2-OG 3.31Å; S335-A337 PolarHBondContact O-N 2.81Å; S335-A337 PolarHBondContact OG-N 2.88Å
336Y97.1Very high96.2Very high104 Ų10459.6 Ų59.641%0.40835%0.346SS..  trans53.313.7-169.7-52.1-83.9000114.3I322 I329 Y332 P334I322-Y336 WeakPolarHBondContact CG1-O 3.42Å; I322-Y336 PolarHBondContact N-O 3.29Å; I329-Y336 HydrophobicContact CD1-CD1 3.79Å; I329-Y336 HydrophobicContact CD1-CE1 4.37Å; I329-Y336 HydrophobicContact CG1-CD1 4.16Å; I329-Y336 HydrophobicContact CG1-CE1 4.24Å; I329-Y336 WeakPolarHBondContact O-CE1 3.34Å; Y332-Y336 PolarHBondContact O-N 2.75Å; P334-Y336 VanDerWaalsContact O-CD2 3.25Å; P334-Y336 WeakPolarHBondContact O-CD2 3.37Å; P334-Y336 WeakPolarHBondContact O-CE2 3.45Å
337A98Very high96.2Very high14 Ų1466.5 Ų66.512%0.11638%0.383CS..  trans-78.9153174.300000110.2R304 S335 P340R304-A337 PolarHBondContact NE-O 2.92Å; R304-A337 PolarHBondContact NH2-O 3.49Å; S335-A337 PolarHBondContact O-N 2.81Å; S335-A337 PolarHBondContact OG-N 2.88Å; A337-P340 HydrophobicContact CB-CB 4.39Å
338L98.4Very high96.2Very high2 Ų263 Ų631%0.0137%0.365CS..SBendtrans-74.2-42.7169.6-17961.2000109.9Y38 I272 R304 Y308 L318 D320 I322 P340Y38-L338 HydrophobicContact CE2-CD1 4.01Å; Y38-L338 HydrophobicContact CE2-CD2 4.39Å; I272-L338 VanDerWaalsContact CD1-O 3.3Å; I272-L338 WeakPolarHBondContact CD1-O 3.13Å; R304-L338 HydrophobicContact CB-CD1 4.08Å; R304-L338 VanDerWaalsContact CB-O 3.32Å; R304-L338 WeakPolarHBondContact CB-O 3.29Å; R304-L338 WeakPolarHBondContact CD-O 3.19Å; R304-L338 HydrophobicContact CG-CD1 4.17Å; R304-L338 VanDerWaalsContact CG-O 3.26Å; R304-L338 WeakPolarHBondContact CG-O 3.5Å; Y308-L338 HydrophobicContact CD2-CD2 4.12Å; L318-L338 HydrophobicContact CB-CD2 3.76Å; L318-L338 HydrophobicContact CD1-CD2 3.61Å; L318-L338 HydrophobicContact CG-CD2 4.34Å; D320-L338 WeakPolarHBondContact OD1-CA 3.43Å; D320-L338 WeakPolarHBondContact OD1-CB 3.09Å; D320-L338 PolarHBondContact OD1-N 3.28Å; I322-L338 HydrophobicContact CD1-CB 4.2Å; I322-L338 HydrophobicContact CD1-CD1 3.88Å; L338-P340 WeakPolarHBondContact O-CD 3.35Å
339C98.1Very high96.2Very high27 Ų2764.9 Ų64.918%0.18238%0.38CS..SBendtrans-117.565.8-177.7-600000110.4P273 D320P273-C339 HydrophobicContact CG-CB 4.14Å; D320-C339 PolarHBondContact OD1-N 3Å
340P97.1Very high96.2Very high31 Ų3163 Ų6320%0.20137%0.371CS..PPolyproline II helixtrans-61.4150.9178.329.6-36.5000111.4A337 L338A337-P340 HydrophobicContact CB-CB 4.39Å; L338-P340 WeakPolarHBondContact O-CD 3.35Å
341P95.5Very high96.3Very high108 Ų10861.3 Ų61.370%0.70136%0.359SS*.PPolyproline II helixtrans-64.6150.3172.428.8-35.1000110.8T343P341-T343 PolarHBondContact O-N 3.27Å
342L96.1Very high96.3Very high44 Ų4462.7 Ų62.723%0.2337%0.373CS..PPolyproline II helixtrans-62.7134.2175.8-59.3-176.3000110.7N269 T271 V345N269-L342 HydrophobicContact CB-CD1 4.09Å; N269-L342 WeakPolarHBondContact O-CD1 3.3Å; T271-L342 HydrophobicContact CG2-CD1 4.36Å; T271-L342 HydrophobicContact CG2-CG 4.35Å; L342-V345 HydrophobicContact CB-CG2 4.04Å; L342-V345 HydrophobicContact CD1-CG2 4.47Å
343T94.2Very high96.3Very high128 Ų12866 Ų6679%0.78540%0.401SS*.SBendtrans-93.8-28.5178.564.80000112.5D262 P341D262-T343 PolarHBondContact OD1-N 3.41Å; D262-T343 PolarHBondContact OD1-OG1 3.37Å; D262-T343 PolarHBondContact OD2-N 2.88Å; D262-T343 PolarHBondContact OD2-OG1 3.46Å; D262-T343 VanDerWaalsContact OD2-OG1 3.08Å; P341-T343 PolarHBondContact O-N 3.27Å
344K91.6Very high96.5Very high112 Ų11268.1 Ų68.149%0.48740%0.404SS..  trans-123.7120174-172.6-175.5-177.2-169.50109.3D262 Y346D262-K344 WeakPolarHBondContact OD1-CB 3.43Å; D262-K344 PolarHBondContact OD1-N 2.94Å; K344-Y346 HydrophobicContact CD-CE1 4.26Å; K344-Y346 HydrophobicContact CD-CE2 4.45Å; K344-Y346 VanDerWaalsContact CE-CE1 3.44Å; K344-Y346 WeakPolarHBondContact CE-OH 3.44Å; K344-Y346 PolarHBondContact NZ-OH 3.48Å
345V95.4Very high96.8Very high100 Ų10062.2 Ų62.261%0.60637%0.366SS*.  trans-114.9120.8177.5-177.70000108.4N269 L342N269-V345 WeakPolarHBondContact OD1-CA 3.31Å; L342-V345 HydrophobicContact CB-CG2 4.04Å; L342-V345 HydrophobicContact CD1-CG2 4.47Å
346Y96.4Very high97Very high45 Ų4562.6 Ų62.618%0.17636%0.363CS..  trans-78.5152.4174.6-62.4-80000110.7Y267 N269 K344 N348Y267-Y346 HydrophobicContact CD1-CD1 4.46Å; Y267-Y346 AromaticContact CD1-CE1 3.74Å; Y267-Y346 HydrophobicContact CD1-CE1 3.74Å; Y267-Y346 HydrophobicContact CD1-CE2 4.18Å; Y267-Y346 AromaticContact CD1-CZ 3.57Å; Y267-Y346 HydrophobicContact CE1-CE1 4.44Å; N269-Y346 PolarHBondContact ND2-N 3.43Å; N269-Y346 PolarHBondContact ND2-O 3.41Å; N269-Y346 PolarHBondContact OD1-N 2.84Å; K344-Y346 HydrophobicContact CD-CE1 4.26Å; K344-Y346 HydrophobicContact CD-CE2 4.45Å; K344-Y346 VanDerWaalsContact CE-CE1 3.44Å; K344-Y346 WeakPolarHBondContact CE-OH 3.44Å; K344-Y346 PolarHBondContact NZ-OH 3.48Å; Y346-N348 PolarHBondContact O-N 2.95Å
347N97.1Very high97Very high146 Ų14660.9 Ų60.978%0.78137%0.365SS*.  trans-61.6129.8170-70.9-22.7000109.2C349N347-C349 PolarHBondContact O-N 3.08Å
348N97.7Very high97Very high54 Ų5460.9 Ų60.929%0.28937%0.365SS..  trans-76.9108.2177.9-168.8-12.5000110G225 M230 Y346 N350G225-N348 WeakPolarHBondContact O-CA 3.29Å; G225-N348 WeakPolarHBondContact O-CB 3.45Å; G225-N348 PolarHBondContact O-ND2 3.06Å; M230-N348 PolarHBondContact SD-ND2 2.97Å; Y346-N348 PolarHBondContact O-N 2.95Å; N348-N350 VanDerWaalsContact C-N 3.29Å; N348-N350 VanDerWaalsContact OD1-CB 3.26Å; N348-N350 WeakPolarHBondContact OD1-CB 3.37Å; N348-N350 PolarHBondContact OD1-N 3.39Å; N348-N350 PolarHBondContact OD1-ND2 3.43Å
349C97.8Very high97Very high61 Ų6164.4 Ų64.441%0.41238%0.378SS..  trans-83.6-7.8179.6-65.20000112.5Q223 S224 N347 S351Q223-C349 HydrophobicContact CB-CB 3.73Å; Q223-C349 PolarHBondContact OE1-O 2.81Å; S224-C349 PolarHBondContact O-N 2.98Å; S224-C349 PolarHBondContact OG-SG 2.74Å; N347-C349 PolarHBondContact O-N 3.08Å; C349-S351 PolarHBondContact O-N 3Å
350N98.1Very high97Very high6 Ų670 Ų703%0.03240%0.395CS..  trans-81.3112.3-179.9-55.8-94.2000109.3Q223 S224 I226 M230 N348 L355Q223-N350 PolarHBondContact N-OD1 2.8Å; Q223-N350 PolarHBondContact O-ND2 3.14Å; S224-N350 PolarHBondContact O-ND2 3.35Å; I226-N350 WeakPolarHBondContact CB-ND2 3.36Å; I226-N350 HydrophobicContact CD1-CB 4.45Å; I226-N350 HydrophobicContact CG1-CB 4.41Å; M230-N350 HydrophobicContact CE-CB 4.09Å; M230-N350 WeakPolarHBondContact CE-O 3.38Å; N348-N350 VanDerWaalsContact C-N 3.29Å; N348-N350 VanDerWaalsContact OD1-CB 3.26Å; N348-N350 WeakPolarHBondContact OD1-CB 3.37Å; N348-N350 PolarHBondContact OD1-N 3.39Å; N348-N350 PolarHBondContact OD1-ND2 3.43Å; N350-L355 HydrophobicContact CB-CD1 4.49Å; N350-L355 HydrophobicContact CB-CD2 4.13Å; N350-L355 HydrophobicContact CB-CG 4.3Å
351S97.7Very high97Very high63 Ų6372.5 Ų72.544%0.44140%0.401SS..  trans-83.7153.6168.669.30000111C349 A353 Y354 L355C349-S351 PolarHBondContact O-N 3Å; S351-A353 PolarHBondContact O-N 3.05Å; S351-Y354 WeakPolarHBondContact O-CB 3.33Å; S351-Y354 PolarHBondContact O-N 3.17Å; S351-Y354 WeakPolarHBondContact OG-CB 3.35Å; S351-Y354 PolarHBondContact OG-N 3.44Å; S351-Y354 VanDerWaalsContact OG-N 3.11Å; S351-L355 PolarHBondContact O-N 3.1Å
352A97.4Very high97.1Very high69 Ų6967.5 Ų67.557%0.5737%0.368SS*.Hα-helixtrans-55.8-39.5173.400000112Y354 L355 D356A352-Y354 VanDerWaalsContact C-N 3.33Å; A352-Y354 PolarHBondContact O-N 2.84Å; A352-L355 PolarHBondContact O-N 3.37Å; A352-D356 WeakPolarHBondContact O-CB 3.38Å; A352-D356 PolarHBondContact O-N 3.3Å
353A98.1Very high97.2Very high71 Ų7167.3 Ų67.359%0.58737%0.366SS*.Hα-helixtrans-63.8-36.2176.600000112.9S351 C357S351-A353 PolarHBondContact O-N 3.05Å; A353-C357 WeakPolarHBondContact O-CB 3.21Å; A353-C357 PolarHBondContact O-N 3.49Å
354Y98.2Very high97.3Very high60 Ų6066.6 Ų66.624%0.23535%0.354CS..Hα-helixtrans-66.9-48.5174.8175.7-105.7000111.3P221 Q223 S351 A352 D356 C357 C358P221-Y354 PolarHBondContact O-OH 3.03Å; Q223-Y354 HydrophobicContact CG-CD1 4.49Å; Q223-Y354 HydrophobicContact CG-CE1 3.88Å; S351-Y354 WeakPolarHBondContact O-CB 3.33Å; S351-Y354 PolarHBondContact O-N 3.17Å; S351-Y354 WeakPolarHBondContact OG-CB 3.35Å; S351-Y354 PolarHBondContact OG-N 3.44Å; S351-Y354 VanDerWaalsContact OG-N 3.11Å; A352-Y354 VanDerWaalsContact C-N 3.33Å; A352-Y354 PolarHBondContact O-N 2.84Å; Y354-D356 VanDerWaalsContact C-N 3.3Å; Y354-D356 PolarHBondContact O-N 2.85Å; Y354-C357 WeakPolarHBondContact O-CA 3.46Å; Y354-C357 VanDerWaalsContact O-CB 3.23Å; Y354-C357 WeakPolarHBondContact O-CB 3.43Å; Y354-C357 PolarHBondContact O-N 3.43Å; Y354-C358 PolarHBondContact O-N 2.56Å
355L98.6Very high97.5Very high4 Ų463.5 Ų63.52%0.02134%0.339CS..Hα-helixtrans-61.4-38.9177.3-62.9-175.5000112.1L222 I226 M230 I234 N350 S351 A352 C357 C358 R359L222-L355 HydrophobicContact CD2-CD2 3.68Å; I226-L355 HydrophobicContact CD1-CD1 4.44Å; I226-L355 HydrophobicContact CD1-CD2 4.19Å; M230-L355 HydrophobicContact CB-CD1 3.87Å; M230-L355 HydrophobicContact CE-CD1 3.45Å; M230-L355 VanDerWaalsContact CE-CD1 3.45Å; M230-L355 HydrophobicContact CE-CG 4.26Å; M230-L355 HydrophobicContact CG-CD1 4.49Å; M230-L355 WeakPolarHBondContact O-CD1 3.21Å; I234-L355 HydrophobicContact CD1-CB 4.47Å; I234-L355 HydrophobicContact CD1-CD2 4.21Å; I234-L355 HydrophobicContact CG2-CD2 4.34Å; N350-L355 HydrophobicContact CB-CD1 4.49Å; N350-L355 HydrophobicContact CB-CD2 4.13Å; N350-L355 HydrophobicContact CB-CG 4.3Å; S351-L355 PolarHBondContact O-N 3.1Å; A352-L355 PolarHBondContact O-N 3.37Å; L355-C357 VanDerWaalsContact C-N 3.29Å; L355-C357 PolarHBondContact O-N 3.18Å; L355-C358 PolarHBondContact O-N 2.91Å; L355-R359 WeakPolarHBondContact O-CB 3.39Å; L355-R359 PolarHBondContact O-N 3.01Å
356D98.1Very high97.6Very high65 Ų6559 Ų5935%0.34831%0.311SS..Hα-helixtrans-64.3-32.5172.9-83.3-15.1000113A352 Y354 R359 R360A352-D356 WeakPolarHBondContact O-CB 3.38Å; A352-D356 PolarHBondContact O-N 3.3Å; Y354-D356 VanDerWaalsContact C-N 3.3Å; Y354-D356 PolarHBondContact O-N 2.85Å; D356-R359 IonicContact OD1-CZ 2.7Å; D356-R359 IonicContact OD1-NE 3.62Å; D356-R359 IonicContact OD1-NH2 2.66Å; D356-R359 PolarHBondContact OD1-NH2 3.05Å; D356-R360 WeakPolarHBondContact O-CB 3.16Å; D356-R360 VanDerWaalsContact O-CG 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.43Å; D356-R360 PolarHBondContact O-N 2.93Å; D356-R360 VanDerWaalsContact O-N 3.09Å; D356-R360 PolarHBondContact O-NE 3.17Å; D356-R360 VanDerWaalsContact O-NE 3.08Å
357C98Very high97.4Very high68 Ų6864.9 Ų64.946%0.45933%0.333SS..Hα-helixtrans-67.1-52.2173.2-166.30000110.7A353 Y354 L355 R359 R360 Y361A353-C357 WeakPolarHBondContact O-CB 3.21Å; A353-C357 PolarHBondContact O-N 3.49Å; Y354-C357 WeakPolarHBondContact O-CA 3.46Å; Y354-C357 VanDerWaalsContact O-CB 3.23Å; Y354-C357 WeakPolarHBondContact O-CB 3.43Å; Y354-C357 PolarHBondContact O-N 3.43Å; L355-C357 VanDerWaalsContact C-N 3.29Å; L355-C357 PolarHBondContact O-N 3.18Å; C357-R359 VanDerWaalsContact C-N 3.34Å; C357-R359 PolarHBondContact O-N 3.37Å; C357-R360 PolarHBondContact O-N 3.4Å; C357-Y361 WeakPolarHBondContact O-CB 3.46Å; C357-Y361 PolarHBondContact O-N 3.31Å
358C98Very high97.2Very high15 Ų1561 Ų6110%0.10132%0.318CS..Hα-helixtrans-57.2-46.9177.8-65.70000111.4V220 I234 Y354 L355 R360 Y361 V362V220-C358 HydrophobicContact CG1-CB 4.45Å; I234-C358 HydrophobicContact CD1-CB 3.66Å; Y354-C358 PolarHBondContact O-N 2.56Å; L355-C358 PolarHBondContact O-N 2.91Å; C358-R360 PolarHBondContact O-N 3.45Å; C358-Y361 WeakPolarHBondContact O-CB 3.43Å; C358-Y361 PolarHBondContact O-N 2.8Å; C358-V362 WeakPolarHBondContact O-CG2 3.5Å; C358-V362 PolarHBondContact O-N 2.87Å
359R98.1Very high97Very high75 Ų7559.5 Ų59.528%0.28331%0.309SS..Hα-helixtrans-60.4-47177.8-177.5173.761.6177.13.6112.6I234 V238 L355 D356 C357 Y361 V362 F363I234-R359 HydrophobicContact CG1-CB 4.37Å; V238-R359 HydrophobicContact CG2-CG 4.28Å; L355-R359 WeakPolarHBondContact O-CB 3.39Å; L355-R359 PolarHBondContact O-N 3.01Å; D356-R359 IonicContact OD1-CZ 2.7Å; D356-R359 IonicContact OD1-NE 3.62Å; D356-R359 IonicContact OD1-NH2 2.66Å; D356-R359 PolarHBondContact OD1-NH2 3.05Å; C357-R359 VanDerWaalsContact C-N 3.34Å; C357-R359 PolarHBondContact O-N 3.37Å; R359-Y361 VanDerWaalsContact C-N 3.33Å; R359-Y361 PolarHBondContact O-N 2.91Å; R359-V362 PolarHBondContact O-N 3.31Å; R359-F363 HydrophobicContact CG-CD1 4.31Å; R359-F363 HydrophobicContact CG-CE1 4Å; R359-F363 HydrophobicContact CG-CE2 4.23Å; R359-F363 HydrophobicContact CG-CZ 3.96Å; R359-F363 WeakPolarHBondContact O-CD1 3.25Å; R359-F363 WeakPolarHBondContact O-CG 3.44Å; R359-F363 PolarHBondContact O-N 3.32Å
360R97.8Very high96.5Very high146 Ų14662.6 Ų62.655%0.55133%0.328SS*.Hα-helixtrans-62.4-42178.2-78.5-178.5-66.4159.8-1.1111.7D356 C357 C358 V362 F363 E364D356-R360 WeakPolarHBondContact O-CB 3.16Å; D356-R360 VanDerWaalsContact O-CG 3.24Å; D356-R360 WeakPolarHBondContact O-CG 3.43Å; D356-R360 PolarHBondContact O-N 2.93Å; D356-R360 VanDerWaalsContact O-N 3.09Å; D356-R360 PolarHBondContact O-NE 3.17Å; D356-R360 VanDerWaalsContact O-NE 3.08Å; C357-R360 PolarHBondContact O-N 3.4Å; C358-R360 PolarHBondContact O-N 3.45Å; R360-V362 PolarHBondContact O-N 3.33Å; R360-F363 PolarHBondContact O-N 3.49Å; R360-E364 WeakPolarHBondContact O-CG 3.02Å; R360-E364 PolarHBondContact O-N 2.85Å
361Y97.6Very high95.8Very high82 Ų8264 Ų6432%0.32234%0.344SS..Hα-helixtrans-57.3-50.3176.3-175.3-89.8000111.1P205 C357 C358 R359 F363 E364 R365P205-Y361 HydrophobicContact CB-CD1 3.9Å; P205-Y361 HydrophobicContact CB-CE1 3.41Å; P205-Y361 VanDerWaalsContact CB-CE1 3.41Å; P205-Y361 HydrophobicContact CB-CE2 4.46Å; P205-Y361 PolarHBondContact O-OH 3.31Å; P205-Y361 VanDerWaalsContact O-OH 3.07Å; C357-Y361 WeakPolarHBondContact O-CB 3.46Å; C357-Y361 PolarHBondContact O-N 3.31Å; C358-Y361 WeakPolarHBondContact O-CB 3.43Å; C358-Y361 PolarHBondContact O-N 2.8Å; R359-Y361 VanDerWaalsContact C-N 3.33Å; R359-Y361 PolarHBondContact O-N 2.91Å; Y361-F363 VanDerWaalsContact C-N 3.34Å; Y361-F363 PolarHBondContact O-N 2.82Å; Y361-E364 PolarHBondContact O-N 3.05Å; Y361-R365 HydrophobicContact CD1-CG 4.09Å; Y361-R365 HydrophobicContact CE1-CG 3.74Å; Y361-R365 WeakPolarHBondContact O-CG 3.41Å; Y361-R365 PolarHBondContact O-N 2.86Å
362V98Very high95.2Very high3 Ų362 Ų622%0.01833%0.332CS..Hα-helixtrans-61.9-41.9177.9176.70000111.5L218 V220 V238 C358 R359 R360 E364 R365 L366L218-V362 HydrophobicContact CD1-CG1 4.19Å; L218-V362 HydrophobicContact CD2-CG1 4.36Å; V220-V362 HydrophobicContact CG2-CG2 4.02Å; V238-V362 HydrophobicContact CG1-CG1 3.79Å; V238-V362 HydrophobicContact CG2-CB 4.47Å; V238-V362 HydrophobicContact CG2-CG1 4.43Å; C358-V362 WeakPolarHBondContact O-CG2 3.5Å; C358-V362 PolarHBondContact O-N 2.87Å; R359-V362 PolarHBondContact O-N 3.31Å; R360-V362 PolarHBondContact O-N 3.33Å; V362-E364 PolarHBondContact O-N 3.08Å; V362-R365 WeakPolarHBondContact O-CB 3.19Å; V362-R365 PolarHBondContact O-N 2.8Å; V362-L366 HydrophobicContact CG1-CD1 3.9Å; V362-L366 HydrophobicContact CG1-CG 4.32Å; V362-L366 WeakPolarHBondContact O-CG 3.45Å; V362-L366 PolarHBondContact O-N 3.3Å
363F98.1Very high94.4Very high40 Ų4059.2 Ų59.218%0.17531%0.308CS..Hα-helixtrans-63.9-39.7178.1-77.114.3000112.4P237 V238 E241 R359 R360 Y361 R365 L366 R367P237-F363 HydrophobicContact CB-CZ 4.04Å; V238-F363 HydrophobicContact CG2-CE1 4.37Å; E241-F363 HydrophobicContact CB-CD1 3.96Å; E241-F363 HydrophobicContact CB-CE1 3.45Å; E241-F363 VanDerWaalsContact CB-CE1 3.45Å; E241-F363 HydrophobicContact CB-CZ 3.9Å; E241-F363 HydrophobicContact CG-CD1 3.78Å; E241-F363 HydrophobicContact CG-CE1 3.77Å; E241-F363 HydrophobicContact CG-CG 4.24Å; E241-F363 HydrophobicContact CG-CZ 4.24Å; R359-F363 HydrophobicContact CG-CD1 4.31Å; R359-F363 HydrophobicContact CG-CE1 4Å; R359-F363 HydrophobicContact CG-CE2 4.23Å; R359-F363 HydrophobicContact CG-CZ 3.96Å; R359-F363 WeakPolarHBondContact O-CD1 3.25Å; R359-F363 WeakPolarHBondContact O-CG 3.44Å; R359-F363 PolarHBondContact O-N 3.32Å; R360-F363 PolarHBondContact O-N 3.49Å; Y361-F363 VanDerWaalsContact C-N 3.34Å; Y361-F363 PolarHBondContact O-N 2.82Å; F363-R365 VanDerWaalsContact C-N 3.34Å; F363-L366 PolarHBondContact O-N 3.24Å; F363-R367 WeakPolarHBondContact O-CB 3.5Å; F363-R367 VanDerWaalsContact O-CG 3.25Å; F363-R367 WeakPolarHBondContact O-CG 3.46Å; F363-R367 PolarHBondContact O-N 2.89Å
364E96.6Very high93Very high114 Ų11463.6 Ų63.653%0.53332%0.321SS..Hα-helixtrans-64.6-39.3174.1-74.6169.2-176.300111.7R360 Y361 V362 R367 S368R360-E364 WeakPolarHBondContact O-CG 3.02Å; R360-E364 PolarHBondContact O-N 2.85Å; Y361-E364 PolarHBondContact O-N 3.05Å; V362-E364 PolarHBondContact O-N 3.08Å; E364-R367 PolarHBondContact O-N 3.24Å; E364-S368 PolarHBondContact O-N 2.81Å; E364-S368 VanDerWaalsContact O-N 3.16Å
365R95Very high91.3Very high47 Ų4761.9 Ų61.918%0.17732%0.317CS..Hα-helixtrans-59.7-50.4172.4-70.1-53.1-46.4141.313.2111.6L218 Y361 V362 F363 R367 S368L218-R365 HydrophobicContact CD2-CB 4.07Å; Y361-R365 HydrophobicContact CD1-CG 4.09Å; Y361-R365 HydrophobicContact CE1-CG 3.74Å; Y361-R365 WeakPolarHBondContact O-CG 3.41Å; Y361-R365 PolarHBondContact O-N 2.86Å; V362-R365 WeakPolarHBondContact O-CB 3.19Å; V362-R365 PolarHBondContact O-N 2.8Å; F363-R365 VanDerWaalsContact C-N 3.34Å; R365-R367 VanDerWaalsContact C-N 3.34Å; R365-R367 PolarHBondContact O-N 2.94Å; R365-S368 PolarHBondContact NH1-OG 2.93Å; R365-S368 PolarHBondContact NH2-OG 3.21Å; R365-S368 WeakPolarHBondContact O-CB 3.32Å; R365-S368 PolarHBondContact O-N 2.85Å; R365-S368 PolarHBondContact O-OG 3.1Å
366L96.5Very high89.2Confident4 Ų464.6 Ų64.62%0.02135%0.346CS..Hα-helixtrans-61.4-39.5179.6-72.2170000112.4M187 L218 E241 T242 C245 V362 F363 S368 L369M187-L366 HydrophobicContact CE-CD2 4.48Å; M187-L366 HydrophobicContact SD-CD2 4.34Å; L218-L366 HydrophobicContact CD1-CD2 3.72Å; L218-L366 HydrophobicContact CD1-CG 4.18Å; E241-L366 HydrophobicContact CB-CD1 3.95Å; E241-L366 HydrophobicContact CG-CB 4.49Å; E241-L366 HydrophobicContact CG-CD1 3.6Å; T242-L366 HydrophobicContact CG2-CD2 4.49Å; C245-L366 HydrophobicContact CB-CB 4.34Å; C245-L366 HydrophobicContact CB-CD2 4.19Å; V362-L366 HydrophobicContact CG1-CD1 3.9Å; V362-L366 HydrophobicContact CG1-CG 4.32Å; V362-L366 WeakPolarHBondContact O-CG 3.45Å; V362-L366 PolarHBondContact O-N 3.3Å; F363-L366 PolarHBondContact O-N 3.24Å; L366-S368 PolarHBondContact O-N 3.46Å; L366-L369 HydrophobicContact CD2-CD1 3.94Å; L366-L369 WeakPolarHBondContact O-CB 3.42Å; L366-L369 WeakPolarHBondContact O-CG 3.29Å; L366-L369 PolarHBondContact O-N 2.85Å
367R94Very high87.2Confident170 Ų17065.5 Ų65.564%0.64235%0.351SS*.Hα-helixtrans-65.2-25.4174.6-73.3173.4-165.5162.74113.6F363 E364 R365 L369F363-R367 WeakPolarHBondContact O-CB 3.5Å; F363-R367 VanDerWaalsContact O-CG 3.25Å; F363-R367 WeakPolarHBondContact O-CG 3.46Å; F363-R367 PolarHBondContact O-N 2.89Å; E364-R367 PolarHBondContact O-N 3.24Å; R365-R367 VanDerWaalsContact C-N 3.34Å; R365-R367 PolarHBondContact O-N 2.94Å; R367-L369 VanDerWaalsContact C-N 3.3Å
368S92.4Very high84.7Confident65 Ų6566 Ų6646%0.45536%0.36SS..THydrogen-bonded Turntrans-82.4-6179.5750000114E364 R365 L366E364-S368 PolarHBondContact O-N 2.81Å; E364-S368 VanDerWaalsContact O-N 3.16Å; R365-S368 PolarHBondContact NH1-OG 2.93Å; R365-S368 PolarHBondContact NH2-OG 3.21Å; R365-S368 WeakPolarHBondContact O-CB 3.32Å; R365-S368 PolarHBondContact O-N 2.85Å; R365-S368 PolarHBondContact O-OG 3.1Å; L366-S368 PolarHBondContact O-N 3.46Å
369L92.7Very high82.2Confident22 Ų2273 Ų7312%0.11540%0.396CS..SBendtrans-66.9144.8176.5-64.9175.1000110.7M187 Y216 L366 R367 G371M187-L369 HydrophobicContact CE-CD1 3.64Å; Y216-L369 HydrophobicContact CE1-CD2 4.32Å; Y216-L369 HydrophobicContact CE2-CD2 4.24Å; L366-L369 HydrophobicContact CD2-CD1 3.94Å; L366-L369 WeakPolarHBondContact O-CB 3.42Å; L366-L369 WeakPolarHBondContact O-CG 3.29Å; L366-L369 PolarHBondContact O-N 2.85Å; R367-L369 VanDerWaalsContact C-N 3.3Å; L369-G371 PolarHBondContact O-N 3.19Å
370P87.4Confident80Confident125 Ų12576 Ų7681%0.81241%0.413SS*.  trans-69.1-1.1177.530.3-35.8000113.7
371G84Confident78.2Confident35 Ų3574.4 Ų74.436%0.36142%0.424SS..SBendtrans116.3176.3-169.200000111L369 P373L369-G371 PolarHBondContact O-N 3.19Å; G371-P373 WeakPolarHBondContact O-CD 3.49Å
372A83.8Confident77Confident23 Ų2371.8 Ų71.819%0.1942%0.417CS..SBendtrans-65.1127.4174.900000110.1Y246 Q247 N374Y246-A372 WeakPolarHBondContact O-CB 3.37Å; Q247-A372 HydrophobicContact CB-CB 4.16Å; Q247-A372 HydrophobicContact CG-CB 4.32Å; A372-N374 PolarHBondContact O-N 3.25Å
373P80.7Confident75.9Confident10 Ų1077.1 Ų77.17%0.06544%0.443CS..  trans-55123177-29.335.6000112.6R162 D184 Y216 Y246 G371 V375R162-P373 PolarHBondContact NH1-O 3.22Å; D184-P373 HydrophobicContact CB-CB 4.38Å; D184-P373 HydrophobicContact CB-CG 3.77Å; Y216-P373 HydrophobicContact CE1-CG 3.69Å; Y216-P373 VanDerWaalsContact OH-CG 3.26Å; Y216-P373 WeakPolarHBondContact OH-CG 3.2Å; Y246-P373 HydrophobicContact CE2-CG 4.17Å; G371-P373 WeakPolarHBondContact O-CD 3.49Å; P373-V375 HydrophobicContact CB-CG2 4.29Å
374N69Low74.9Confident162 Ų16276.7 Ų76.787%0.86644%0.443SS*.  trans-94.3101170.9-86.1-31.3000108.7A372A372-N374 PolarHBondContact O-N 3.25Å
375V62.1Low73.4Confident25 Ų2571.5 Ų71.515%0.15242%0.419CS..  trans-111.4126.7174.8-150.30000108.3S161 R185 P373 L377S161-V375 PolarHBondContact OG-O 3.31Å; R185-V375 HydrophobicContact CG-CG2 3.98Å; P373-V375 HydrophobicContact CB-CG2 4.29Å; V375-L377 PolarHBondContact O-N 3.3Å
376G56Low72.2Confident60 Ų6072.1 Ų72.162%0.61943%0.429SS*.  trans-65.6127.4165.200000108.8A378G376-A378 PolarHBondContact O-N 3.05Å
377L55.7Low70.8Confident85 Ų8575 Ų7545%0.44545%0.45SS..SBendtrans-55.9-15.1-178.5-76.6161.1000114.2R159 V375 N379R159-L377 WeakPolarHBondContact O-CD2 3.46Å; V375-L377 PolarHBondContact O-N 3.3Å; L377-N379 PolarHBondContact O-N 3.4Å
378A45.5Very low69.5Low79 Ų7972.5 Ų72.565%0.65345%0.453SS*.SBendtrans-82.599.3-176.700000112.1G376G376-A378 PolarHBondContact O-N 3.05Å
379N45.9Very low68.2Low161 Ų16171 Ų7186%0.86144%0.439SS*.SBendtrans76.321.4150-61.8-16.8000120.2L377L377-N379 PolarHBondContact O-N 3.4Å
380Q50.3Low66.6Low137 Ų13776.5 Ų76.564%0.6446%0.458SS*.  trans-92.2113.2166.1-69.4-171.3-6.600111.1V382Q380-V382 PolarHBondContact O-N 3.07Å
381S62Low65Low113 Ų11372 Ų7279%0.7943%0.425SS*.  trans-57.6128.9170.654.50000110M383S381-M383 PolarHBondContact O-N 3.01Å
382V71.1Confident63.4Low27 Ų2782.1 Ų82.116%0.16445%0.452CS..  trans-62.8120.3172.1-179.60000107.8L154 L157 F180 T183 Q380 L384L154-V382 HydrophobicContact CD2-CB 4.31Å; L157-V382 HydrophobicContact CB-CG2 4.42Å; L157-V382 HydrophobicContact CD1-CG1 4.4Å; L157-V382 HydrophobicContact CD1-CG2 3.69Å; F180-V382 HydrophobicContact CD1-CG1 4.25Å; F180-V382 HydrophobicContact CE1-CG1 4.29Å; T183-V382 HydrophobicContact CG2-CG1 3.88Å; Q380-V382 PolarHBondContact O-N 3.07Å; V382-L384 HydrophobicContact CG1-CD2 4.32Å; V382-L384 PolarHBondContact O-N 3.34Å
383M74.4Confident61.4Low115 Ų11590.2 Ų90.257%0.56749%0.492SS*.  trans-74.396.7176.4-172.4-179.3-70.200108.8L182 S381L182-M383 HydrophobicContact CB-CG 4.37Å; L182-M383 HydrophobicContact CB-SD 4.4Å; L182-M383 HydrophobicContact CD1-SD 4.47Å; S381-M383 PolarHBondContact O-N 3.01Å
384L77.6Confident60.4Low32 Ų3294.3 Ų94.317%0.16851%0.514CS..PPolyproline II helixtrans-76.2147.5172.1-64.2172.3000110.2F60 L154 A179 F180 V382F60-L384 HydrophobicContact CD2-CD1 4.27Å; L154-L384 HydrophobicContact CD1-CD1 4.07Å; L154-L384 HydrophobicContact CD2-CD1 4.35Å; L154-L384 HydrophobicContact CD2-CD2 4.21Å; A179-L384 WeakPolarHBondContact O-CA 3.11Å; A179-L384 VanDerWaalsContact O-CD2 3.27Å; A179-L384 WeakPolarHBondContact O-CD2 3.21Å; F180-L384 HydrophobicContact CD1-CD2 3.94Å; F180-L384 HydrophobicContact CE1-CD2 3.76Å; V382-L384 HydrophobicContact CG1-CD2 4.32Å; V382-L384 PolarHBondContact O-N 3.34Å
385A66.1Low60Low4 Ų490.7 Ų90.73%0.03350%0.495CS..PPolyproline II helixtrans-58.4139.8172.600000111.2E178 A179 L182 F389E178-A385 WeakPolarHBondContact O-CB 3.49Å; A179-A385 PolarHBondContact O-N 2.88Å; L182-A385 HydrophobicContact CD1-CB 4.47Å; A385-F389 HydrophobicContact CB-CB 3.92Å; A385-F389 HydrophobicContact CB-CD1 4.18Å; A385-F389 HydrophobicContact CB-CG 4.01Å
386P70.1Confident59.8Low61 Ų6194.3 Ų94.340%0.39651%0.514SS..PPolyproline II helixtrans-67.2158.2173.828.9-34.3000110.5T388 F389P386-T388 PolarHBondContact O-N 2.99Å; P386-F389 HydrophobicContact CG-CB 4.16Å; P386-F389 VanDerWaalsContact O-CB 3.22Å; P386-F389 WeakPolarHBondContact O-CB 3.49Å; P386-F389 PolarHBondContact O-N 2.97Å
387S66.3Low60.1Low65 Ų6596.4 Ų96.446%0.45551%0.508SS..THydrogen-bonded Turntrans-62.7-16.1179.557.10000114.2
388T67.3Low60.3Low117 Ų11797.1 Ų97.172%0.71851%0.512SS*.THydrogen-bonded Turntrans-88-6.1176.253.90000113.1P386 R390P386-T388 PolarHBondContact O-N 2.99Å; T388-R390 PolarHBondContact O-N 3.3Å
389F64.2Low61.3Low33 Ų3398.3 Ų98.315%0.14550%0.503CS..  trans-67.1132178.4-173.8-93.3000109.9E178 Y181 A385 P386E178-F389 HydrophobicContact CG-CD1 3.96Å; Y181-F389 AromaticContact CD1-CE1 3.73Å; Y181-F389 HydrophobicContact CD1-CE1 3.73Å; Y181-F389 AromaticContact CD1-CE2 3.96Å; Y181-F389 HydrophobicContact CD1-CE2 3.96Å; Y181-F389 AromaticContact CD1-CZ 3.18Å; Y181-F389 HydrophobicContact CD1-CZ 3.18Å; Y181-F389 HydrophobicContact CE1-CE1 4.21Å; Y181-F389 HydrophobicContact CE1-CE2 4.35Å; Y181-F389 AromaticContact CE1-CZ 3.47Å; Y181-F389 HydrophobicContact CE1-CZ 3.47Å; Y181-F389 VanDerWaalsContact CE1-CZ 3.47Å; Y181-F389 AromaticContact CG-CE1 3.91Å; Y181-F389 HydrophobicContact CG-CE1 3.91Å; Y181-F389 AromaticContact CG-CZ 3.86Å; Y181-F389 HydrophobicContact CG-CZ 3.86Å; A385-F389 HydrophobicContact CB-CB 3.92Å; A385-F389 HydrophobicContact CB-CD1 4.18Å; A385-F389 HydrophobicContact CB-CG 4.01Å; P386-F389 HydrophobicContact CG-CB 4.16Å; P386-F389 VanDerWaalsContact O-CB 3.22Å; P386-F389 WeakPolarHBondContact O-CB 3.49Å; P386-F389 PolarHBondContact O-N 2.97Å
390R59.3Low62.4Low138 Ų13893.8 Ų93.852%0.52148%0.477SS..  trans-138.8143.7173.3-66.1-66-170-144.56.4106.8M139 T388 R392M139-R390 PolarHBondContact SD-NH2 2.89Å; T388-R390 PolarHBondContact O-N 3.3Å; R390-R392 PolarHBondContact O-N 3.44Å
391Y54.3Low63.4Low29 Ų2990.5 Ų90.511%0.11447%0.465CS..  trans-51.9127.4168.7-62.6-76.1000109D174 Q177 E178 Y181 T202 E207 N393D174-Y391 PolarHBondContact O-OH 3.49Å; Q177-Y391 WeakPolarHBondContact CG-OH 3.48Å; Q177-Y391 VanDerWaalsContact NE2-CE1 3.26Å; Q177-Y391 PolarHBondContact NE2-OH 3.43Å; E178-Y391 PolarHBondContact N-OH 3.25Å; Y181-Y391 HydrophobicContact CD2-CE1 4.06Å; Y181-Y391 HydrophobicContact CE2-CD1 4.25Å; Y181-Y391 AromaticContact CE2-CE1 3.67Å; Y181-Y391 HydrophobicContact CE2-CE1 3.67Å; T202-Y391 HydrophobicContact CG2-CD2 3.77Å; T202-Y391 HydrophobicContact CG2-CE2 4.02Å; E207-Y391 HydrophobicContact CB-CD1 4.33Å; E207-Y391 HydrophobicContact CB-CE1 4.27Å; E207-Y391 HydrophobicContact CG-CD1 3.69Å; E207-Y391 HydrophobicContact CG-CE1 4.06Å; E207-Y391 HydrophobicContact CG-CG 4.48Å; Y391-N393 PolarHBondContact O-N 3.48Å
392R50Low63.5Low249 Ų24988.6 Ų88.694%0.9444%0.438SS*.  trans-79103.9165-72.4-172.8-178.9-171.41.8106R390R390-R392 PolarHBondContact O-N 3.44Å
393N41.2Very low62.8Low193 Ų19394.2 Ų94.2100%1.03246%0.462SS*.  trans-62.90168.3-71.9-7.2000111.1Y391Y391-N393 PolarHBondContact O-N 3.48Å

Retrieved 393 of 393 residues in 182 ms (Link to these results)

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