A0A5K4F3E3_SCHMA Loading...

Coiled-coil domain-containing protein 81

AlphaFold DB , UniProt , Accession A0A5K4F3E3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 719 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
1M31.3Very low49.2Very low243 Ų243101 Ų101100%1.19759%0.589SS**  0115.60-72.6-165.9-119.600108.4
2I33.1Very low51.2Low167 Ų167108.9 Ų108.986%0.85660%0.601SS**  trans-140.285.3144.2-55.5-179.5000103G4I2-G4 PolarHBondContact O-N 3.11Å
3G32.1Very low53.5Low60 Ų60105.6 Ų105.662%0.61958%0.582SS**  trans-58.9118.6159.900000105D5G3-D5 PolarHBondContact O-N 2.95Å
4G33.7Very low55.7Low68 Ų68106.4 Ų106.470%0.70158%0.579SS**  trans-67.581.6174.500000107.6I2 K6I2-G4 PolarHBondContact O-N 3.11Å; G4-K6 PolarHBondContact O-N 3.32Å
5D37.7Very low57.6Low129 Ų129108.5 Ų108.569%0.6959%0.59SS**  trans-50.9111.9161.5-71.4-23.5000104.9G3 L7G3-D5 PolarHBondContact O-N 2.95Å; D5-L7 HydrophobicContact CB-CD1 3.44Å; D5-L7 VanDerWaalsContact CB-CD1 3.44Å; D5-L7 HydrophobicContact CB-CG 3.92Å; D5-L7 PolarHBondContact O-N 3Å
6K42Very low59.5Low198 Ų198102.8 Ų102.886%0.86156%0.559SS**  trans-68.662.5169.9-70.4178.3179.4173.80107.6G4 G8G4-K6 PolarHBondContact O-N 3.32Å; K6-G8 PolarHBondContact O-N 3.25Å; K6-G8 VanDerWaalsContact O-N 3.17Å
7L50.6Low61.4Low102 Ų10296.9 Ų96.953%0.53453%0.526SS..  trans-77.992.9169.7-79.1148.4000105.3D5D5-L7 HydrophobicContact CB-CD1 3.44Å; D5-L7 VanDerWaalsContact CB-CD1 3.44Å; D5-L7 HydrophobicContact CB-CG 3.92Å; D5-L7 PolarHBondContact O-N 3Å
8G62.1Low62.9Low22 Ų2295.6 Ų95.623%0.22752%0.516CS..  trans-55.7160.5154.800000109.1K6 S10K6-G8 PolarHBondContact O-N 3.25Å; K6-G8 VanDerWaalsContact O-N 3.17Å; G8-S10 PolarHBondContact O-N 3.49Å
9I72.2Confident64.3Low13 Ų1395.6 Ų95.67%0.06751%0.513CS..  trans-61.1112.6174.1-73.2162.3000107.7I11 T118 L119 Y122 A129 E130 V131I9-I11 PolarHBondContact O-N 3.41Å; I9-T118 HydrophobicContact CB-CG2 4.47Å; I9-T118 HydrophobicContact CG1-CG2 4.32Å; I9-T118 HydrophobicContact CG2-CG2 3.58Å; I9-L119 HydrophobicContact CD1-CB 4.04Å; I9-L119 HydrophobicContact CD1-CD1 3.62Å; I9-L119 HydrophobicContact CD1-CG 4.46Å; I9-Y122 HydrophobicContact CG1-CD2 4.09Å; I9-Y122 HydrophobicContact CG1-CE2 4.08Å; I9-Y122 HydrophobicContact CG1-CG 4.35Å; I9-A129 HydrophobicContact CD1-CB 4.18Å; I9-E130 PolarHBondContact N-O 3.26Å; I9-V131 HydrophobicContact CB-CG2 4.48Å; I9-V131 HydrophobicContact CD1-CG2 3.5Å; I9-V131 VanDerWaalsContact CD1-CG2 3.5Å
10S70.7Confident65.6Low89 Ų8990.9 Ų90.962%0.62249%0.487SS*.  trans-69.3117173.7-166.60000107.9G8G8-S10 PolarHBondContact O-N 3.49Å
11I75.6Confident66.8Low20 Ų2086.5 Ų86.510%0.10346%0.464CS..  trans-86.7132.8178.1-55.5-179.7000106.7I9 E14 W17 V115I9-I11 PolarHBondContact O-N 3.41Å; I11-E14 HydrophobicContact CB-CG 4.49Å; I11-W17 HydrophobicContact CD1-CB 4.27Å; I11-W17 HydrophobicContact CD1-CD2 3.64Å; I11-W17 HydrophobicContact CD1-CE3 4.49Å; I11-W17 HydrophobicContact CD1-CG 3.47Å; I11-W17 VanDerWaalsContact CD1-CG 3.47Å; I11-W17 HydrophobicContact CD1-CZ2 4.34Å; I11-W17 VanDerWaalsContact CD1-NE1 3.3Å; I11-W17 HydrophobicContact CG2-CB 3.95Å; I11-W17 HydrophobicContact CG2-CG 4.19Å; I11-V115 HydrophobicContact CD1-CG2 4.14Å; I11-V115 HydrophobicContact CG1-CG2 4.07Å; I11-V115 HydrophobicContact CG2-CG2 3.95Å
12R73.3Confident69.7Low196 Ų19676.4 Ų76.474%0.7442%0.417SS*.SBendtrans-66.4-43.2-175.6-68.2-173.7-170.5-163.65.2111.9
13D81.3Confident72.4Confident66 Ų6669 Ų6935%0.35338%0.379SS..  trans-111.378.1-178.5-50.7-58.4000109.3D15 I16 W17D13-D15 VanDerWaalsContact C-N 3.3Å; D13-D15 PolarHBondContact O-N 3.21Å; D13-I16 HydrophobicContact CB-CB 4.08Å; D13-I16 HydrophobicContact CB-CD1 3.82Å; D13-I16 HydrophobicContact CB-CG1 4.06Å; D13-I16 PolarHBondContact O-N 2.93Å; D13-W17 PolarHBondContact O-N 3.28Å; D13-W17 VanDerWaalsContact O-N 3.12Å
14E83.6Confident75.2Confident116 Ų11666.2 Ų66.254%0.54235%0.349SS..Hα-helixtrans-60.8-39.4-177.8-68.2-165.2163.600111.8I11 I16 W17 Q18I11-E14 HydrophobicContact CB-CG 4.49Å; E14-I16 PolarHBondContact O-N 3.49Å; E14-W17 PolarHBondContact O-N 3.27Å; E14-Q18 WeakPolarHBondContact O-CG 3.3Å; E14-Q18 PolarHBondContact O-N 2.58Å
15D85.4Confident78Confident139 Ų13966.1 Ų66.174%0.74333%0.328SS*.Hα-helixtrans-62.5-44.1-179.5-59.5-33.7000112.4D13 W17 Q18 E19D13-D15 VanDerWaalsContact C-N 3.3Å; D13-D15 PolarHBondContact O-N 3.21Å; D15-W17 VanDerWaalsContact C-N 3.32Å; D15-W17 PolarHBondContact O-N 3.28Å; D15-Q18 PolarHBondContact O-N 3.44Å; D15-E19 PolarHBondContact O-N 2.94Å; D15-E19 VanDerWaalsContact O-N 3.14Å
16I87.8Confident80.5Confident16 Ų1665.1 Ų65.18%0.08232%0.317CS..Hα-helixtrans-64.1-41176.2-59.9178.2000110D13 E14 E19 L20 V103 Q107 I108 C111D13-I16 HydrophobicContact CB-CB 4.08Å; D13-I16 HydrophobicContact CB-CD1 3.82Å; D13-I16 HydrophobicContact CB-CG1 4.06Å; D13-I16 PolarHBondContact O-N 2.93Å; E14-I16 PolarHBondContact O-N 3.49Å; I16-E19 PolarHBondContact O-N 3.43Å; I16-L20 VanDerWaalsContact O-CB 3.28Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 PolarHBondContact O-N 3.2Å; I16-V103 HydrophobicContact CD1-CG1 4.1Å; I16-Q107 HydrophobicContact CD1-CB 4.36Å; I16-I108 HydrophobicContact CG2-CG1 4.28Å; I16-C111 HydrophobicContact CG2-CB 4.06Å
17W91Very high82.9Confident3 Ų358.2 Ų58.21%0.01129%0.287CS..Hα-helixtrans-67.6-37.5178.9-173-101.3000112.8I11 D13 E14 D15 L20 C21 L39 I112 V115 V131 I132 F133I11-W17 HydrophobicContact CD1-CB 4.27Å; I11-W17 HydrophobicContact CD1-CD2 3.64Å; I11-W17 HydrophobicContact CD1-CE3 4.49Å; I11-W17 HydrophobicContact CD1-CG 3.47Å; I11-W17 VanDerWaalsContact CD1-CG 3.47Å; I11-W17 HydrophobicContact CD1-CZ2 4.34Å; I11-W17 VanDerWaalsContact CD1-NE1 3.3Å; I11-W17 HydrophobicContact CG2-CB 3.95Å; I11-W17 HydrophobicContact CG2-CG 4.19Å; D13-W17 PolarHBondContact O-N 3.28Å; D13-W17 VanDerWaalsContact O-N 3.12Å; E14-W17 PolarHBondContact O-N 3.27Å; D15-W17 VanDerWaalsContact C-N 3.32Å; D15-W17 PolarHBondContact O-N 3.28Å; W17-L20 HydrophobicContact CE3-CD1 4.46Å; W17-L20 HydrophobicContact CE3-CD2 4.29Å; W17-L20 HydrophobicContact CZ3-CD2 4.26Å; W17-L20 PolarHBondContact O-N 2.84Å; W17-C21 WeakPolarHBondContact O-CB 3.32Å; W17-C21 PolarHBondContact O-N 3.16Å; W17-C21 PolarHBondContact O-SG 3.37Å; W17-L39 HydrophobicContact CH2-CD2 4.35Å; W17-I112 HydrophobicContact CZ3-CG1 4.43Å; W17-V115 HydrophobicContact CE3-CG2 3.97Å; W17-V115 HydrophobicContact CH2-CB 4.45Å; W17-V115 HydrophobicContact CH2-CG1 4.06Å; W17-V115 HydrophobicContact CH2-CG2 4.24Å; W17-V115 HydrophobicContact CZ3-CB 4.27Å; W17-V115 HydrophobicContact CZ3-CG1 4.39Å; W17-V115 HydrophobicContact CZ3-CG2 3.83Å; W17-V131 HydrophobicContact CZ2-CG1 3.97Å; W17-I132 PolarHBondContact NE1-O 3.11Å; W17-F133 HydrophobicContact CH2-CD1 4.46Å; W17-F133 AromaticContact CH2-CE1 3.89Å; W17-F133 HydrophobicContact CH2-CE1 3.89Å; W17-F133 HydrophobicContact CH2-CZ 4.3Å; W17-F133 AromaticContact CZ2-CD1 3.86Å; W17-F133 HydrophobicContact CZ2-CD1 3.86Å; W17-F133 AromaticContact CZ2-CE1 3.67Å; W17-F133 HydrophobicContact CZ2-CE1 3.67Å; W17-F133 HydrophobicContact CZ2-CG 4.42Å; W17-F133 HydrophobicContact CZ2-CZ 4.08Å
18Q89.4Confident84.8Confident74 Ų7453.6 Ų53.635%0.34626%0.263SS..Hα-helixtrans-59.2-51173.6-71.1-72.3-0.500110.9E14 D15 L20 C21 S22 N134E14-Q18 WeakPolarHBondContact O-CG 3.3Å; E14-Q18 PolarHBondContact O-N 2.58Å; D15-Q18 PolarHBondContact O-N 3.44Å; Q18-L20 PolarHBondContact O-N 3.07Å; Q18-C21 WeakPolarHBondContact O-CB 3.41Å; Q18-C21 PolarHBondContact O-N 3.47Å; Q18-S22 PolarHBondContact O-N 3.22Å; Q18-N134 VanDerWaalsContact CD-CG 3.42Å; Q18-N134 VanDerWaalsContact NE2-CG 3.29Å; Q18-N134 PolarHBondContact NE2-ND2 3.14Å; Q18-N134 PolarHBondContact OE1-ND2 3.13Å
19E88.2Confident86.2Confident96 Ų9655 Ų5545%0.44927%0.265SS..Hα-helixtrans-65.9-37.8179.7-76.1-61.5162.100112.9D15 I16 C21 S22 Y23 I101D15-E19 PolarHBondContact O-N 2.94Å; D15-E19 VanDerWaalsContact O-N 3.14Å; I16-E19 PolarHBondContact O-N 3.43Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 2.73Å; E19-S22 WeakPolarHBondContact O-CB 3.2Å; E19-S22 PolarHBondContact O-N 3Å; E19-Y23 PolarHBondContact O-N 3.38Å; E19-I101 HydrophobicContact CB-CD1 3.57Å; E19-I101 HydrophobicContact CB-CG1 3.8Å; E19-I101 HydrophobicContact CB-CG2 4.08Å; E19-I101 HydrophobicContact CG-CG1 4.43Å; E19-I101 HydrophobicContact CG-CG2 4.16Å
20L90.8Very high87.1Confident0 Ų058.3 Ų58.30%029%0.286CS..Hα-helixtrans-62-41.6172.8175.9159.4000111.8I16 W17 Q18 Y23 L24 F36 L92 I108 I112I16-L20 VanDerWaalsContact O-CB 3.28Å; I16-L20 WeakPolarHBondContact O-CB 3.38Å; I16-L20 PolarHBondContact O-N 3.2Å; W17-L20 HydrophobicContact CE3-CD1 4.46Å; W17-L20 HydrophobicContact CE3-CD2 4.29Å; W17-L20 HydrophobicContact CZ3-CD2 4.26Å; W17-L20 PolarHBondContact O-N 2.84Å; Q18-L20 PolarHBondContact O-N 3.07Å; L20-Y23 PolarHBondContact O-N 3.37Å; L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.07Å; L20-F36 HydrophobicContact CD1-CE1 4.26Å; L20-F36 HydrophobicContact CD2-CE1 3.75Å; L20-F36 HydrophobicContact CD2-CZ 3.61Å; L20-F36 HydrophobicContact CG-CE1 4.44Å; L20-F36 HydrophobicContact CG-CZ 4.5Å; L20-L92 HydrophobicContact CD1-CD2 4.38Å; L20-I108 HydrophobicContact CD1-CG2 4.39Å; L20-I112 HydrophobicContact CD1-CD1 3.62Å; L20-I112 HydrophobicContact CD1-CG1 3.58Å
21C92Very high87.9Confident0 Ų059 Ų590%028%0.278CS..Hα-helixtrans-64.7-40.7174.5-69.90000111.5W17 Q18 E19 L24 R25 N134W17-C21 WeakPolarHBondContact O-CB 3.32Å; W17-C21 PolarHBondContact O-N 3.16Å; W17-C21 PolarHBondContact O-SG 3.37Å; Q18-C21 WeakPolarHBondContact O-CB 3.41Å; Q18-C21 PolarHBondContact O-N 3.47Å; E19-C21 VanDerWaalsContact C-N 3.34Å; E19-C21 PolarHBondContact O-N 2.73Å; C21-L24 PolarHBondContact O-N 3.28Å; C21-R25 WeakPolarHBondContact O-CB 3.28Å; C21-R25 PolarHBondContact O-N 3.49Å; C21-N134 HydrophobicContact CB-CB 4.18Å
22S90.5Very high88.6Confident31 Ų3161.7 Ų61.722%0.21729%0.289CS..Hα-helixtrans-59.6-45.8174.7178.40000111.9Q18 E19 R25 K26Q18-S22 PolarHBondContact O-N 3.22Å; E19-S22 WeakPolarHBondContact O-CB 3.2Å; E19-S22 PolarHBondContact O-N 3Å; S22-R25 PolarHBondContact O-N 2.97Å; S22-K26 WeakPolarHBondContact O-CG 3.27Å; S22-K26 PolarHBondContact O-N 2.81Å; S22-K26 VanDerWaalsContact O-N 3.09Å
23Y89.7Confident89.4Confident12 Ų1252.3 Ų52.35%0.04725%0.254CS..Hα-helixtrans-62.2-45.4173.9174.8-95.3000112.4E19 L20 R25 K26 K27 L92 E96 L97E19-Y23 PolarHBondContact O-N 3.38Å; L20-Y23 PolarHBondContact O-N 3.37Å; Y23-R25 VanDerWaalsContact C-N 3.32Å; Y23-R25 PolarHBondContact O-N 2.89Å; Y23-K26 WeakPolarHBondContact O-CB 3.49Å; Y23-K26 PolarHBondContact O-N 3.44Å; Y23-K27 HydrophobicContact CD1-CG 4.33Å; Y23-K27 HydrophobicContact CE1-CG 3.96Å; Y23-K27 PolarHBondContact O-N 2.74Å; Y23-K27 VanDerWaalsContact O-N 3.08Å; Y23-K27 WeakPolarHBondContact OH-CE 3.19Å; Y23-L92 HydrophobicContact CD1-CD1 4.17Å; Y23-L92 HydrophobicContact CE1-CD1 3.93Å; Y23-E96 HydrophobicContact CE2-CG 3.78Å; Y23-L97 HydrophobicContact CD1-CD1 4.25Å; Y23-L97 HydrophobicContact CD1-CD2 3.43Å; Y23-L97 VanDerWaalsContact CD1-CD2 3.43Å; Y23-L97 HydrophobicContact CD1-CG 3.92Å; Y23-L97 HydrophobicContact CD2-CD2 3.73Å; Y23-L97 HydrophobicContact CD2-CG 4.41Å; Y23-L97 HydrophobicContact CE1-CD1 4.37Å; Y23-L97 HydrophobicContact CE1-CD2 4.05Å; Y23-L97 HydrophobicContact CE1-CG 4.04Å; Y23-L97 HydrophobicContact CE2-CD2 4.32Å; Y23-L97 HydrophobicContact CG-CD2 3.23Å; Y23-L97 HydrophobicContact CG-CG 4.1Å
24L91.7Very high90Very high0 Ų049.4 Ų49.40%024%0.238CC..Hα-helixtrans-59.3-45.3177.8179.364.8000111L20 C21 K26 K27 L28 V34 F36 F42 F133 I136L20-L24 WeakPolarHBondContact O-CB 3.44Å; L20-L24 PolarHBondContact O-N 3.07Å; C21-L24 PolarHBondContact O-N 3.28Å; L24-K26 VanDerWaalsContact C-N 3.35Å; L24-K26 PolarHBondContact O-N 2.85Å; L24-K27 PolarHBondContact O-N 2.97Å; L24-K27 VanDerWaalsContact O-N 3.13Å; L24-L28 HydrophobicContact CD1-CD1 4.28Å; L24-L28 HydrophobicContact CD1-CG 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.01Å; L24-L28 HydrophobicContact CG-CG 4.39Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3.13Å; L24-V34 HydrophobicContact CD1-CB 3.65Å; L24-V34 HydrophobicContact CD1-CG1 3.7Å; L24-V34 HydrophobicContact CD1-CG2 3.89Å; L24-F36 HydrophobicContact CD1-CE2 3.76Å; L24-F36 HydrophobicContact CD1-CZ 4.42Å; L24-F36 HydrophobicContact CD2-CE2 3.61Å; L24-F36 HydrophobicContact CD2-CZ 3.92Å; L24-F36 HydrophobicContact CG-CE2 4.26Å; L24-F42 HydrophobicContact CD1-CD2 4.17Å; L24-F42 HydrophobicContact CD2-CD2 3.91Å; L24-F42 HydrophobicContact CD2-CE2 3.6Å; L24-F42 HydrophobicContact CD2-CZ 3.94Å; L24-F133 HydrophobicContact CD2-CD1 4.19Å; L24-I136 HydrophobicContact CB-CD1 3.9Å; L24-I136 HydrophobicContact CD2-CD1 3.51Å; L24-I136 HydrophobicContact CG-CD1 3.65Å
25R92.3Very high90.4Very high66 Ų6648.2 Ų48.225%0.24923%0.231CC..Hα-helixtrans-56.2-48.4176.5178.2172.8173.1-90.47110.9C21 S22 Y23 K27 L28 L29 I136 F154 E157C21-R25 WeakPolarHBondContact O-CB 3.28Å; C21-R25 PolarHBondContact O-N 3.49Å; S22-R25 PolarHBondContact O-N 2.97Å; Y23-R25 VanDerWaalsContact C-N 3.32Å; Y23-R25 PolarHBondContact O-N 2.89Å; R25-K27 VanDerWaalsContact C-N 3.33Å; R25-K27 PolarHBondContact O-N 3.46Å; R25-L28 PolarHBondContact O-N 3.47Å; R25-L29 HydrophobicContact CG-CD1 4.01Å; R25-L29 HydrophobicContact CG-CG 4.47Å; R25-L29 WeakPolarHBondContact O-CG 3.48Å; R25-L29 PolarHBondContact O-N 3.41Å; R25-I136 HydrophobicContact CB-CD1 4.06Å; R25-I136 HydrophobicContact CB-CG1 3.92Å; R25-I136 HydrophobicContact CG-CG1 4.47Å; R25-F154 HydrophobicContact CG-CD2 4.18Å; R25-F154 HydrophobicContact CG-CE2 4.22Å; R25-E157 IonicContact CZ-OE1 3.7Å; R25-E157 IonicContact CZ-OE2 3.09Å; R25-E157 IonicContact NE-OE2 2.94Å; R25-E157 PolarHBondContact NE-OE2 2.91Å; R25-E157 IonicContact NH1-OE1 2.86Å; R25-E157 IonicContact NH2-OE1 2.74Å; R25-E157 PolarHBondContact NH2-OE1 3.44Å; R25-E157 IonicContact NH2-OE2 3.02Å; R25-E157 PolarHBondContact NH2-OE2 3.18Å
26K91.7Very high90.6Very high108 Ų10841.8 Ų41.847%0.4720%0.197SC..Hα-helixtrans-56.4-44.2175.8-69.2169.8-174.1170.30111.9S22 Y23 L24 T30S22-K26 WeakPolarHBondContact O-CG 3.27Å; S22-K26 PolarHBondContact O-N 2.81Å; S22-K26 VanDerWaalsContact O-N 3.09Å; Y23-K26 WeakPolarHBondContact O-CB 3.49Å; Y23-K26 PolarHBondContact O-N 3.44Å; L24-K26 VanDerWaalsContact C-N 3.35Å; L24-K26 PolarHBondContact O-N 2.85Å; K26-T30 WeakPolarHBondContact O-CG2 3.01Å; K26-T30 PolarHBondContact O-N 3.19Å; K26-T30 PolarHBondContact O-OG1 3.14Å
27K91.1Very high90.4Very high54 Ų5442.8 Ų42.824%0.23521%0.205CC..Hα-helixtrans-67.2-41.7178.8-63.7-56.8-177.3-172.80112.6Y23 L24 R25 T30 K32 V34Y23-K27 HydrophobicContact CD1-CG 4.33Å; Y23-K27 HydrophobicContact CE1-CG 3.96Å; Y23-K27 PolarHBondContact O-N 2.74Å; Y23-K27 VanDerWaalsContact O-N 3.08Å; Y23-K27 WeakPolarHBondContact OH-CE 3.19Å; L24-K27 PolarHBondContact O-N 2.97Å; L24-K27 VanDerWaalsContact O-N 3.13Å; R25-K27 VanDerWaalsContact C-N 3.33Å; R25-K27 PolarHBondContact O-N 3.46Å; K27-T30 WeakPolarHBondContact CA-OG1 3.49Å; K27-T30 PolarHBondContact O-N 3.47Å; K27-T30 PolarHBondContact O-OG1 3.44Å; K27-K32 WeakPolarHBondContact O-CB 3.42Å; K27-K32 PolarHBondContact O-N 3.05Å; K27-K32 VanDerWaalsContact O-N 3.15Å; K27-V34 HydrophobicContact CB-CG2 3.76Å; K27-V34 HydrophobicContact CG-CG2 4.47Å
28L91.7Very high90.1Very high4 Ų446.4 Ų46.42%0.02122%0.224CC..Hα-helixtrans-66.8-39.1178.4-65.4174.8000112.1L24 R25 T30 K31 F42 F44 I136 F154L24-L28 HydrophobicContact CD1-CD1 4.28Å; L24-L28 HydrophobicContact CD1-CG 4.28Å; L24-L28 HydrophobicContact CG-CD1 4.01Å; L24-L28 HydrophobicContact CG-CG 4.39Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3.13Å; R25-L28 PolarHBondContact O-N 3.47Å; L28-T30 VanDerWaalsContact C-N 3.26Å; L28-T30 PolarHBondContact O-N 3.32Å; L28-K31 WeakPolarHBondContact O-CA 3.4Å; L28-K31 PolarHBondContact O-N 3.39Å; L28-F42 HydrophobicContact CD1-CB 4.27Å; L28-F42 HydrophobicContact CD1-CD1 4.07Å; L28-F42 HydrophobicContact CD1-CG 4.27Å; L28-F42 HydrophobicContact CD2-CB 3.67Å; L28-F44 HydrophobicContact CD2-CE2 4.47Å; L28-F44 WeakPolarHBondContact O-CZ 3.31Å; L28-I136 HydrophobicContact CD1-CD1 4.29Å; L28-I136 HydrophobicContact CD1-CG2 4.27Å; L28-F154 HydrophobicContact CB-CE2 4.25Å; L28-F154 HydrophobicContact CB-CZ 3.86Å; L28-F154 HydrophobicContact CD1-CZ 4Å
29L90.9Very high90.2Very high52 Ų5242.9 Ų42.927%0.27221%0.208SC..Hα-helixtrans-63.2-32.5173.8-69.8173000112.2R25 K31 F154 E157 L158R25-L29 HydrophobicContact CG-CD1 4.01Å; R25-L29 HydrophobicContact CG-CG 4.47Å; R25-L29 WeakPolarHBondContact O-CG 3.48Å; R25-L29 PolarHBondContact O-N 3.41Å; L29-K31 PolarHBondContact O-N 2.83Å; L29-K31 VanDerWaalsContact O-N 3.12Å; L29-F154 HydrophobicContact CD2-CE2 4.3Å; L29-F154 HydrophobicContact CG-CE2 4.4Å; L29-E157 HydrophobicContact CD1-CG 4.22Å; L29-E157 WeakPolarHBondContact CD1-OE1 3.3Å; L29-E157 HydrophobicContact CD2-CB 4.28Å; L29-E157 HydrophobicContact CD2-CG 3.85Å; L29-L158 HydrophobicContact CD2-CB 4.2Å
30T90.1Very high90.4Very high83 Ų8338.4 Ų38.451%0.50919%0.188SC..THydrogen-bonded Turntrans-75.513.517061.60000114.2K26 K27 L28 K32K26-T30 WeakPolarHBondContact O-CG2 3.01Å; K26-T30 PolarHBondContact O-N 3.19Å; K26-T30 PolarHBondContact O-OG1 3.14Å; K27-T30 WeakPolarHBondContact CA-OG1 3.49Å; K27-T30 PolarHBondContact O-N 3.47Å; K27-T30 PolarHBondContact O-OG1 3.44Å; L28-T30 VanDerWaalsContact C-N 3.26Å; L28-T30 PolarHBondContact O-N 3.32Å; T30-K32 VanDerWaalsContact C-N 3.32Å; T30-K32 PolarHBondContact O-N 3.47Å; T30-K32 WeakPolarHBondContact OG1-CD 3.36Å
31K87.4Confident90.5Very high102 Ų10240.3 Ų40.344%0.44320%0.197SC..THydrogen-bonded Turntrans52.145.2-176.9-60-174.9177.3-175.10112.9L28 L29 I87L28-K31 WeakPolarHBondContact O-CA 3.4Å; L28-K31 PolarHBondContact O-N 3.39Å; L29-K31 PolarHBondContact O-N 2.83Å; L29-K31 VanDerWaalsContact O-N 3.12Å; K31-I87 WeakPolarHBondContact O-CG2 3.47Å
32K90.4Very high90.6Very high77 Ų7740.4 Ų40.434%0.33520%0.198SC..  trans-108.2134.5173.5-68.2172.8174.9-176.70109.9K27 T30 P88 I90K27-K32 WeakPolarHBondContact O-CB 3.42Å; K27-K32 PolarHBondContact O-N 3.05Å; K27-K32 VanDerWaalsContact O-N 3.15Å; T30-K32 VanDerWaalsContact C-N 3.32Å; T30-K32 PolarHBondContact O-N 3.47Å; T30-K32 WeakPolarHBondContact OG1-CD 3.36Å; K32-P88 HydrophobicContact CG-CG 4.47Å; K32-I90 HydrophobicContact CB-CD1 3.98Å; K32-I90 HydrophobicContact CD-CD1 3.6Å; K32-I90 HydrophobicContact CG-CD1 3.96Å
33C91.6Very high90.7Very high0 Ų039 Ų390%019%0.189CC..EExtended strand (participates in β ladder)trans-77.9135.8173.4-69.80000109.1F42 G43 I87 P88 L89 I90C33-F42 CarbonylContact C-O 3.5Å; C33-F42 VanDerWaalsContact CA-O 3.31Å; C33-F42 WeakPolarHBondContact CA-O 3.44Å; C33-G43 WeakPolarHBondContact SG-CA 3.4Å; C33-I87 HydrophobicContact CB-CG2 4.18Å; C33-I87 WeakPolarHBondContact SG-CG2 3.41Å; C33-P88 PolarHBondContact N-O 3.46Å; C33-L89 HydrophobicContact CB-CB 4.4Å; C33-L89 HydrophobicContact CB-CD1 3.81Å; C33-I90 PolarHBondContact O-N 3.1Å
34V93Very high90.7Very high4 Ų438.6 Ų38.62%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-122.8122.9-176.9-175.50000110.7L24 K27 F36 F42 I90 L92L24-V34 HydrophobicContact CD1-CB 3.65Å; L24-V34 HydrophobicContact CD1-CG1 3.7Å; L24-V34 HydrophobicContact CD1-CG2 3.89Å; K27-V34 HydrophobicContact CB-CG2 3.76Å; K27-V34 HydrophobicContact CG-CG2 4.47Å; V34-F36 HydrophobicContact CG1-CE2 4.5Å; V34-F42 PolarHBondContact N-O 3.12Å; V34-F42 PolarHBondContact O-N 2.77Å; V34-I90 CarbonylContact C-O 3.37Å; V34-I90 WeakPolarHBondContact CA-O 3.31Å; V34-L92 HydrophobicContact CG1-CB 4.48Å; V34-L92 HydrophobicContact CG1-CD1 3.86Å
35K92Very high90.5Very high92 Ų9239 Ų3940%0.419%0.19SC..EExtended strand (participates in β ladder)trans-95.8119.9175.1178.2174.8-179.7-174.10110.8I41 L89 I90 L92K35-I41 HydrophobicContact CB-CG1 4.2Å; K35-I41 HydrophobicContact CD-CG1 4.5Å; K35-I41 HydrophobicContact CG-CG1 3.97Å; K35-L89 HydrophobicContact CB-CD1 4.13Å; K35-I90 PolarHBondContact N-O 3.42Å; K35-L92 PolarHBondContact O-N 3.36Å; K35-L92 VanDerWaalsContact O-N 3.1Å
36F89Confident90.1Very high4 Ų439.9 Ų39.92%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-84.9131.8165.7-84.1-99000110.3L20 L24 V34 N38 L39 G40 F42 L92 I112L20-F36 HydrophobicContact CD1-CE1 4.26Å; L20-F36 HydrophobicContact CD2-CE1 3.75Å; L20-F36 HydrophobicContact CD2-CZ 3.61Å; L20-F36 HydrophobicContact CG-CE1 4.44Å; L20-F36 HydrophobicContact CG-CZ 4.5Å; L24-F36 HydrophobicContact CD1-CE2 3.76Å; L24-F36 HydrophobicContact CD1-CZ 4.42Å; L24-F36 HydrophobicContact CD2-CE2 3.61Å; L24-F36 HydrophobicContact CD2-CZ 3.92Å; L24-F36 HydrophobicContact CG-CE2 4.26Å; V34-F36 HydrophobicContact CG1-CE2 4.5Å; F36-N38 PolarHBondContact O-N 3.18Å; F36-L39 HydrophobicContact CB-CB 3.84Å; F36-L39 HydrophobicContact CD1-CD2 4.31Å; F36-L39 HydrophobicContact CG-CD2 4.47Å; F36-G40 WeakPolarHBondContact CA-O 3.28Å; F36-G40 WeakPolarHBondContact CB-O 3.49Å; F36-G40 PolarHBondContact N-O 2.89Å; F36-F42 AromaticContact CD2-CD2 3.91Å; F36-F42 HydrophobicContact CD2-CD2 3.91Å; F36-F42 AromaticContact CD2-CE2 3.89Å; F36-F42 HydrophobicContact CD2-CE2 3.89Å; F36-F42 AromaticContact CE2-CD2 3.89Å; F36-F42 HydrophobicContact CE2-CD2 3.89Å; F36-F42 AromaticContact CE2-CE2 3.74Å; F36-F42 HydrophobicContact CE2-CE2 3.74Å; F36-L92 HydrophobicContact CD1-CD2 4.08Å; F36-L92 HydrophobicContact CE1-CD2 3.75Å; F36-L92 HydrophobicContact CZ-CD1 4.47Å; F36-L92 HydrophobicContact CZ-CD2 4.16Å; F36-I112 HydrophobicContact CD1-CG2 4.24Å; F36-I112 HydrophobicContact CE1-CD1 4.42Å
37S84.1Confident89.4Confident37 Ų3738 Ų3826%0.25919%0.187SC..THydrogen-bonded Turntrans-59.2129.7169.9-69.30000110.1L39 Y94S37-L39 PolarHBondContact O-N 3.25Å; S37-Y94 WeakPolarHBondContact CB-OH 3.36Å; S37-Y94 PolarHBondContact OG-OH 3.3Å; S37-Y94 VanDerWaalsContact OG-OH 3.13Å
38N85.5Confident88.6Confident78 Ų7841.6 Ų41.642%0.41721%0.205SC..THydrogen-bonded Turntrans62.3-17.3176.4-57-32.6000117.9F36 S67 L70F36-N38 PolarHBondContact O-N 3.18Å; N38-S67 WeakPolarHBondContact O-CB 3.46Å; N38-S67 PolarHBondContact O-OG 3.26Å; N38-L70 WeakPolarHBondContact O-CD1 3.47Å
39L90.4Very high87.5Confident0 Ų043.4 Ų43.40%021%0.214CC..THydrogen-bonded Turntrans-91.6-54.9-178.8-170.558000112.9W17 F36 S37 F64 L66 S67 L119 F133W17-L39 HydrophobicContact CH2-CD2 4.35Å; F36-L39 HydrophobicContact CB-CB 3.84Å; F36-L39 HydrophobicContact CD1-CD2 4.31Å; F36-L39 HydrophobicContact CG-CD2 4.47Å; S37-L39 PolarHBondContact O-N 3.25Å; L39-F64 HydrophobicContact CG-CZ 4.42Å; L39-L66 WeakPolarHBondContact O-CD1 3.34Å; L39-S67 WeakPolarHBondContact O-CB 3.16Å; L39-S67 PolarHBondContact O-N 2.74Å; L39-L119 HydrophobicContact CD1-CD2 3.68Å; L39-F133 HydrophobicContact CD2-CE1 4.31Å; L39-F133 HydrophobicContact CD2-CZ 3.82Å
40G92.5Very high86.3Confident3 Ų345.9 Ų45.93%0.03123%0.227CC..EExtended strand (participates in β ladder)trans165.3-171.7-173.900000114.8F36 L65F36-G40 WeakPolarHBondContact CA-O 3.28Å; F36-G40 WeakPolarHBondContact CB-O 3.49Å; F36-G40 PolarHBondContact N-O 2.89Å; G40-L65 CarbonylContact C-O 3.59Å; G40-L65 WeakPolarHBondContact CA-O 3.45Å
41I93.6Very high84.9Confident39 Ų3944 Ų4420%0.221%0.214CC..EExtended strand (participates in β ladder)trans-126.6126.5-178.6-58.1170.7000108.9K35 F64 L65 I83 L89K35-I41 HydrophobicContact CB-CG1 4.2Å; K35-I41 HydrophobicContact CD-CG1 4.5Å; K35-I41 HydrophobicContact CG-CG1 3.97Å; I41-F64 WeakPolarHBondContact O-CA 3.39Å; I41-L65 HydrophobicContact CB-CB 4.5Å; I41-L65 PolarHBondContact N-O 3.33Å; I41-L65 PolarHBondContact O-N 2.55Å; I41-I83 HydrophobicContact CB-CD1 4.39Å; I41-I83 HydrophobicContact CG2-CD1 3.72Å; I41-L89 HydrophobicContact CG2-CD1 3.62Å
42F93.8Very high83.5Confident2 Ų246.8 Ų46.81%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-89.1126.2163-70.1-89.4000108.8L24 L28 C33 V34 F36 F64 F133 I136 F148L24-F42 HydrophobicContact CD1-CD2 4.17Å; L24-F42 HydrophobicContact CD2-CD2 3.91Å; L24-F42 HydrophobicContact CD2-CE2 3.6Å; L24-F42 HydrophobicContact CD2-CZ 3.94Å; L28-F42 HydrophobicContact CD1-CB 4.27Å; L28-F42 HydrophobicContact CD1-CD1 4.07Å; L28-F42 HydrophobicContact CD1-CG 4.27Å; L28-F42 HydrophobicContact CD2-CB 3.67Å; C33-F42 CarbonylContact C-O 3.5Å; C33-F42 VanDerWaalsContact CA-O 3.31Å; C33-F42 WeakPolarHBondContact CA-O 3.44Å; V34-F42 PolarHBondContact N-O 3.12Å; V34-F42 PolarHBondContact O-N 2.77Å; F36-F42 AromaticContact CD2-CD2 3.91Å; F36-F42 HydrophobicContact CD2-CD2 3.91Å; F36-F42 AromaticContact CD2-CE2 3.89Å; F36-F42 HydrophobicContact CD2-CE2 3.89Å; F36-F42 AromaticContact CE2-CD2 3.89Å; F36-F42 HydrophobicContact CE2-CD2 3.89Å; F36-F42 AromaticContact CE2-CE2 3.74Å; F36-F42 HydrophobicContact CE2-CE2 3.74Å; F42-F64 HydrophobicContact CD1-CB 4.36Å; F42-F64 AromaticContact CD1-CD2 3.81Å; F42-F64 HydrophobicContact CD1-CD2 3.81Å; F42-F64 AromaticContact CD2-CD2 3.86Å; F42-F64 HydrophobicContact CD2-CD2 3.86Å; F42-F64 HydrophobicContact CD2-CE2 4.06Å; F42-F64 HydrophobicContact CE1-CB 4.27Å; F42-F64 AromaticContact CE1-CD2 3.56Å; F42-F64 HydrophobicContact CE1-CD2 3.56Å; F42-F64 HydrophobicContact CE1-CE2 4.31Å; F42-F64 HydrophobicContact CE1-CG 4.25Å; F42-F64 AromaticContact CE2-CD2 3.61Å; F42-F64 HydrophobicContact CE2-CD2 3.61Å; F42-F64 AromaticContact CE2-CE2 3.58Å; F42-F64 HydrophobicContact CE2-CE2 3.58Å; F42-F64 AromaticContact CG-CD2 3.95Å; F42-F64 HydrophobicContact CG-CD2 3.95Å; F42-F64 AromaticContact CZ-CD2 3.46Å; F42-F64 HydrophobicContact CZ-CD2 3.46Å; F42-F64 VanDerWaalsContact CZ-CD2 3.46Å; F42-F64 AromaticContact CZ-CE2 3.74Å; F42-F64 HydrophobicContact CZ-CE2 3.74Å; F42-F64 HydrophobicContact CZ-CG 4.41Å; F42-F133 HydrophobicContact CE2-CD1 4.27Å; F42-F133 AromaticContact CE2-CE1 3.84Å; F42-F133 HydrophobicContact CE2-CE1 3.84Å; F42-F133 HydrophobicContact CE2-CZ 4.27Å; F42-F133 AromaticContact CZ-CD1 3.83Å; F42-F133 HydrophobicContact CZ-CD1 3.83Å; F42-F133 HydrophobicContact CZ-CD2 4.48Å; F42-F133 AromaticContact CZ-CE1 3.71Å; F42-F133 HydrophobicContact CZ-CE1 3.71Å; F42-F133 HydrophobicContact CZ-CE2 4.39Å; F42-F133 HydrophobicContact CZ-CG 4.21Å; F42-F133 AromaticContact CZ-CZ 3.98Å; F42-F133 HydrophobicContact CZ-CZ 3.98Å; F42-I136 HydrophobicContact CE1-CG2 4.31Å; F42-F148 HydrophobicContact CE1-CE1 4.17Å; F42-F148 AromaticContact CE1-CE2 3.83Å; F42-F148 HydrophobicContact CE1-CE2 3.83Å; F42-F148 AromaticContact CE1-CZ 3.59Å; F42-F148 HydrophobicContact CE1-CZ 3.59Å; F42-F148 AromaticContact CZ-CE2 3.92Å; F42-F148 HydrophobicContact CZ-CE2 3.92Å; F42-F148 AromaticContact CZ-CZ 3.99Å; F42-F148 HydrophobicContact CZ-CZ 3.99Å
43G91.8Very high82.3Confident3 Ų348.3 Ų48.33%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-152.8-171.3177.100000113C33 P62 V63C33-G43 WeakPolarHBondContact SG-CA 3.4Å; G43-P62 CarbonylContact O-C 3.54Å; G43-P62 WeakPolarHBondContact O-CA 3.33Å; G43-V63 PolarHBondContact N-O 3.23Å; G43-V63 PolarHBondContact O-N 2.58Å
44F91.1Very high81.1Confident2 Ų250.7 Ų50.71%0.00928%0.275CS..EExtended strand (participates in β ladder)trans-121147.9-179.3-61.6-85.3000110.5L28 H60 R61 P62 E84 I87 L158L28-F44 HydrophobicContact CD2-CE2 4.47Å; L28-F44 WeakPolarHBondContact O-CZ 3.31Å; F44-H60 HydrophobicContact CB-CB 4.44Å; F44-H60 HydrophobicContact CD1-CB 4.14Å; F44-R61 CarbonylContact C-O 3.55Å; F44-R61 WeakPolarHBondContact CA-O 3.32Å; F44-P62 HydrophobicContact CD1-CB 4.22Å; F44-P62 HydrophobicContact CE1-CB 3.98Å; F44-E84 PolarHBondContact O-N 2.95Å; F44-I87 HydrophobicContact CB-CD1 3.69Å; F44-I87 HydrophobicContact CD2-CD1 3.73Å; F44-I87 HydrophobicContact CD2-CG2 4.36Å; F44-I87 HydrophobicContact CG-CD1 3.93Å; F44-L158 HydrophobicContact CE1-CD1 3.7Å; F44-L158 HydrophobicContact CE1-CD2 3.96Å; F44-L158 HydrophobicContact CE1-CG 4.4Å; F44-L158 HydrophobicContact CZ-CD1 3.93Å
45S87.5Confident79.9Confident9 Ų954.2 Ų54.26%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-121.4136.3170.959.30000109R61 V63S45-R61 PolarHBondContact N-O 3.29Å; S45-R61 PolarHBondContact O-N 3.38Å; S45-R61 PolarHBondContact OG-O 3.06Å; S45-V63 WeakPolarHBondContact OG-CG2 3.05Å
46H83Confident78.9Confident85 Ų8556.9 Ų56.939%0.39431%0.305SS..EExtended strand (participates in β ladder)trans-69.1135171-88-156.4000110.8H60 E84H46-H60 AromaticContact CD2-CE1 3.97Å; H46-H60 AromaticContact CD2-ND1 3.95Å; H46-H60 AromaticContact NE2-CE1 3.27Å; H46-H60 PolarHBondContact NE2-CE1 3.44Å; H46-H60 VanDerWaalsContact NE2-CE1 3.27Å; H46-H60 AromaticContact NE2-ND1 3.71Å; H46-H60 AromaticContact NE2-NE2 3.66Å; H46-E84 IonicContact CD2-OE1 3.4Å; H46-E84 IonicContact CD2-OE2 3.9Å; H46-E84 PolarHBondContact CD2-OE2 3.42Å; H46-E84 IonicContact CE1-OE1 3.21Å; H46-E84 IonicContact NE2-OE1 2.74Å; H46-E84 PolarHBondContact NE2-OE1 2.94Å; H46-E84 IonicContact NE2-OE2 2.81Å; H46-E84 PolarHBondContact NE2-OE2 3.34Å; H46-E84 VanDerWaalsContact NE2-OE2 3.09Å
47R77.1Confident78.2Confident67 Ų6758.6 Ų58.625%0.25332%0.316SS..EExtended strand (participates in β ladder)trans-143.1134.3168.3-77.9-161.3174.7173.61.8111.3E58 V59R47-E58 CarbonylContact O-C 3.53Å; R47-E58 WeakPolarHBondContact O-CA 3.2Å; R47-V59 HydrophobicContact CB-CG2 4.27Å; R47-V59 PolarHBondContact N-O 3.14Å; R47-V59 VanDerWaalsContact N-O 3.09Å; R47-V59 WeakPolarHBondContact O-CG2 3.38Å; R47-V59 PolarHBondContact O-N 3.13Å
48E75.2Confident77.7Confident131 Ų13162.3 Ų62.361%0.61233%0.329SS*.EExtended strand (participates in β ladder)trans-82128.1167.1-64168.3177.800109.4Y56 E58E48-Y56 HydrophobicContact CB-CD1 4.21Å; E48-E58 HydrophobicContact CG-CG 4.1Å
49L67.8Low77.6Confident41 Ų4159 Ų5922%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-107.5126170.5-64.2176.5000109.5L51 Y56 V57 V59 R163 T167L49-L51 PolarHBondContact O-N 2.96Å; L49-Y56 CarbonylContact O-C 3.59Å; L49-Y56 VanDerWaalsContact O-CA 3.31Å; L49-Y56 WeakPolarHBondContact O-CA 3.44Å; L49-V57 PolarHBondContact N-O 3.04Å; L49-V57 PolarHBondContact O-N 3.11Å; L49-V59 HydrophobicContact CD1-CB 4.23Å; L49-V59 HydrophobicContact CD1-CG1 3.55Å; L49-V59 HydrophobicContact CD1-CG2 3.62Å; L49-V59 HydrophobicContact CD2-CG2 4.46Å; L49-V59 HydrophobicContact CG-CG1 4.23Å; L49-V59 HydrophobicContact CG-CG2 3.72Å; L49-R163 HydrophobicContact CD1-CB 4.12Å; L49-T167 HydrophobicContact CD1-CG2 3.28Å; L49-T167 HydrophobicContact CD2-CG2 3.37Å; L49-T167 HydrophobicContact CG-CG2 3.84Å
50L66.5Low77.3Confident104 Ų10461.5 Ų61.555%0.54532%0.324SS..EExtended strand (participates in β ladder)trans-75.8114.6167.5-177.360.9000108.9Y56L50-Y56 HydrophobicContact CB-CD1 4.12Å; L50-Y56 HydrophobicContact CB-CE1 3.83Å; L50-Y56 HydrophobicContact CD1-CD1 4.27Å; L50-Y56 HydrophobicContact CD1-CD2 4.11Å; L50-Y56 HydrophobicContact CD1-CE1 3.95Å; L50-Y56 HydrophobicContact CD1-CE2 3.77Å; L50-Y56 HydrophobicContact CD1-CG 4.35Å; L50-Y56 HydrophobicContact CG-CE1 4.36Å
51L60.3Low77.1Confident44 Ų4461.3 Ų61.323%0.2332%0.322CS..  trans-77.2166.7170.6-81.882.7000110.8L49 D53 G54 V55 V57L49-L51 PolarHBondContact O-N 2.96Å; L51-D53 WeakPolarHBondContact CB-OD1 3.41Å; L51-D53 PolarHBondContact O-N 3.4Å; L51-G54 PolarHBondContact O-N 2.84Å; L51-V55 WeakPolarHBondContact CB-O 3.37Å; L51-V55 PolarHBondContact N-O 3.41Å; L51-V57 HydrophobicContact CD1-CB 3.63Å; L51-V57 HydrophobicContact CD1-CG2 3.4Å
52T58.2Low77Confident160 Ų16059.7 Ų59.798%0.98231%0.314SS*.THydrogen-bonded Turntrans-62.8-21.1-179.6-27.50000113G54T52-G54 VanDerWaalsContact C-N 3.32Å
53D65.4Low76.9Confident110 Ų11059.8 Ų59.859%0.58832%0.315SS*.THydrogen-bonded Turntrans-85.81.9176.758.63.2000113.5L51 V55L51-D53 WeakPolarHBondContact CB-OD1 3.41Å; L51-D53 PolarHBondContact O-N 3.4Å; D53-V55 VanDerWaalsContact C-N 3.27Å; D53-V55 PolarHBondContact O-N 2.95Å; D53-V55 WeakPolarHBondContact OD1-CB 3.44Å; D53-V55 PolarHBondContact OD1-N 3.05Å
54G65.3Low76.9Confident49 Ų4960 Ų6051%0.50532%0.315SS..SBendtrans81.41.1-178.100000114.4L51 T52L51-G54 PolarHBondContact O-N 2.84Å; T52-G54 VanDerWaalsContact C-N 3.32Å
55V68.8Low77Confident78 Ų7861.1 Ų61.147%0.47332%0.321SS..  trans-85.8131.6178-177.20000109.7L51 D53 V57L51-V55 WeakPolarHBondContact CB-O 3.37Å; L51-V55 PolarHBondContact N-O 3.41Å; D53-V55 VanDerWaalsContact C-N 3.27Å; D53-V55 PolarHBondContact O-N 2.95Å; D53-V55 WeakPolarHBondContact OD1-CB 3.44Å; D53-V55 PolarHBondContact OD1-N 3.05Å; V55-V57 HydrophobicContact CG1-CG2 4.38Å
56Y70.7Confident77.2Confident148 Ų14860.9 Ų60.958%0.5832%0.319SS*.EExtended strand (participates in β ladder)trans-84.2124.8171.2-69.6-90.7000109.5E48 L49 L50E48-Y56 HydrophobicContact CB-CD1 4.21Å; L49-Y56 CarbonylContact O-C 3.59Å; L49-Y56 VanDerWaalsContact O-CA 3.31Å; L49-Y56 WeakPolarHBondContact O-CA 3.44Å; L50-Y56 HydrophobicContact CB-CD1 4.12Å; L50-Y56 HydrophobicContact CB-CE1 3.83Å; L50-Y56 HydrophobicContact CD1-CD1 4.27Å; L50-Y56 HydrophobicContact CD1-CD2 4.11Å; L50-Y56 HydrophobicContact CD1-CE1 3.95Å; L50-Y56 HydrophobicContact CD1-CE2 3.77Å; L50-Y56 HydrophobicContact CD1-CG 4.35Å; L50-Y56 HydrophobicContact CG-CE1 4.36Å
57V73.5Confident77.7Confident40 Ų4057.9 Ų57.924%0.24231%0.307CS..EExtended strand (participates in β ladder)trans-117.1128.4171.5179.80000110.1L49 L51 V55 R163L49-V57 PolarHBondContact N-O 3.04Å; L49-V57 PolarHBondContact O-N 3.11Å; L51-V57 HydrophobicContact CD1-CB 3.63Å; L51-V57 HydrophobicContact CD1-CG2 3.4Å; V55-V57 HydrophobicContact CG1-CG2 4.38Å; V57-R163 VanDerWaalsContact CG1-NH1 3.28Å
58E74.6Confident78.3Confident115 Ų11560.6 Ų60.654%0.53732%0.323SS..EExtended strand (participates in β ladder)trans-70.6130.1172.2-66.1-171.4145.700111.1R47 E48R47-E58 CarbonylContact O-C 3.53Å; R47-E58 WeakPolarHBondContact O-CA 3.2Å; E48-E58 HydrophobicContact CG-CG 4.1Å
59V82.3Confident78.9Confident10 Ų1061 Ų616%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-123.4141.1171.6-61.90000110.5R47 L49 R61 R163 T167R47-V59 HydrophobicContact CB-CG2 4.27Å; R47-V59 PolarHBondContact N-O 3.14Å; R47-V59 VanDerWaalsContact N-O 3.09Å; R47-V59 WeakPolarHBondContact O-CG2 3.38Å; R47-V59 PolarHBondContact O-N 3.13Å; L49-V59 HydrophobicContact CD1-CB 4.23Å; L49-V59 HydrophobicContact CD1-CG1 3.55Å; L49-V59 HydrophobicContact CD1-CG2 3.62Å; L49-V59 HydrophobicContact CD2-CG2 4.46Å; L49-V59 HydrophobicContact CG-CG1 4.23Å; L49-V59 HydrophobicContact CG-CG2 3.72Å; V59-R61 PolarHBondContact O-N 2.74Å; V59-R163 HydrophobicContact CG1-CB 4.39Å; V59-T167 HydrophobicContact CG2-CG2 4.31Å
60H84.7Confident80Confident51 Ų5160 Ų6024%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-85.1105.6172.9-65.3-120000108.4F44 H46 E84F44-H60 HydrophobicContact CB-CB 4.44Å; F44-H60 HydrophobicContact CD1-CB 4.14Å; H46-H60 AromaticContact CD2-CE1 3.97Å; H46-H60 AromaticContact CD2-ND1 3.95Å; H46-H60 AromaticContact NE2-CE1 3.27Å; H46-H60 PolarHBondContact NE2-CE1 3.44Å; H46-H60 VanDerWaalsContact NE2-CE1 3.27Å; H46-H60 AromaticContact NE2-ND1 3.71Å; H46-H60 AromaticContact NE2-NE2 3.66Å; H60-E84 IonicContact CE1-OE1 3.33Å; H60-E84 IonicContact CE1-OE2 2.55Å; H60-E84 PolarHBondContact CE1-OE2 3.21Å; H60-E84 IonicContact CG-OE2 3.79Å; H60-E84 IonicContact ND1-OE1 2.74Å; H60-E84 IonicContact ND1-OE2 3.42Å; H60-E84 PolarHBondContact ND1-OE2 3.39Å
61R87.5Confident81.2Confident0 Ų055.8 Ų55.80%030%0.296CS..EExtended strand (participates in β ladder)trans-91121.3-177.6-177.8172.6-175.8-110.6-4.7110.9F44 S45 V59 Y81 L164 F168 S174F44-R61 CarbonylContact C-O 3.55Å; F44-R61 WeakPolarHBondContact CA-O 3.32Å; S45-R61 PolarHBondContact N-O 3.29Å; S45-R61 PolarHBondContact O-N 3.38Å; S45-R61 PolarHBondContact OG-O 3.06Å; V59-R61 PolarHBondContact O-N 2.74Å; R61-Y81 PolarHBondContact NH1-OH 3.41Å; R61-L164 HydrophobicContact CB-CD1 4.31Å; R61-L164 HydrophobicContact CG-CD1 4.34Å; R61-F168 HydrophobicContact CG-CE2 4.01Å; R61-F168 HydrophobicContact CG-CZ 3.83Å; R61-S174 PolarHBondContact NH2-OG 3.34Å
62P91.4Very high82.7Confident5 Ų560.1 Ų60.13%0.03232%0.315CS..EExtended strand (participates in β ladder)trans-69.8141.7177.129.8-32.1000110.3G43 F44 F150 L155 L164 F168G43-P62 CarbonylContact O-C 3.54Å; G43-P62 WeakPolarHBondContact O-CA 3.33Å; F44-P62 HydrophobicContact CD1-CB 4.22Å; F44-P62 HydrophobicContact CE1-CB 3.98Å; P62-F150 HydrophobicContact CB-CE1 4.05Å; P62-F150 HydrophobicContact CB-CE2 4.29Å; P62-F150 HydrophobicContact CB-CZ 3.87Å; P62-F150 HydrophobicContact CG-CD2 4.5Å; P62-F150 HydrophobicContact CG-CE1 4.46Å; P62-F150 HydrophobicContact CG-CE2 4.36Å; P62-F150 HydrophobicContact CG-CZ 4.35Å; P62-F150 WeakPolarHBondContact O-CE2 3.1Å; P62-L155 HydrophobicContact CG-CD2 3.65Å; P62-L164 HydrophobicContact CG-CD2 4.14Å; P62-F168 HydrophobicContact CG-CE2 4.32Å; P62-F168 HydrophobicContact CG-CZ 4.16Å
63V91.4Very high84.2Confident3 Ų356.9 Ų56.92%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-141.5142-175.2170.50000108.8G43 S45 L65 Y81G43-V63 PolarHBondContact N-O 3.23Å; G43-V63 PolarHBondContact O-N 2.58Å; S45-V63 WeakPolarHBondContact OG-CG2 3.05Å; V63-L65 HydrophobicContact CG1-CD2 4.39Å; V63-L65 HydrophobicContact CG1-CG 4.3Å; V63-Y81 HydrophobicContact CB-CD2 4.35Å; V63-Y81 HydrophobicContact CB-CG 4.43Å; V63-Y81 HydrophobicContact CG1-CD1 4.31Å; V63-Y81 HydrophobicContact CG1-CD2 3.12Å; V63-Y81 HydrophobicContact CG1-CE2 3.56Å; V63-Y81 HydrophobicContact CG1-CG 3.5Å; V63-Y81 HydrophobicContact CG2-CD1 4.09Å; V63-Y81 HydrophobicContact CG2-CD2 4.28Å; V63-Y81 HydrophobicContact CG2-CE1 4.26Å; V63-Y81 HydrophobicContact CG2-CE2 4.37Å; V63-Y81 HydrophobicContact CG2-CG 4.07Å
64F93.1Very high85.4Confident8 Ų855 Ų554%0.03529%0.285CS..EExtended strand (participates in β ladder)trans-111.3122.6168179-100000110.3L39 I41 F42 L66 L139 F148L39-F64 HydrophobicContact CG-CZ 4.42Å; I41-F64 WeakPolarHBondContact O-CA 3.39Å; F42-F64 HydrophobicContact CD1-CB 4.36Å; F42-F64 AromaticContact CD1-CD2 3.81Å; F42-F64 HydrophobicContact CD1-CD2 3.81Å; F42-F64 AromaticContact CD2-CD2 3.86Å; F42-F64 HydrophobicContact CD2-CD2 3.86Å; F42-F64 HydrophobicContact CD2-CE2 4.06Å; F42-F64 HydrophobicContact CE1-CB 4.27Å; F42-F64 AromaticContact CE1-CD2 3.56Å; F42-F64 HydrophobicContact CE1-CD2 3.56Å; F42-F64 HydrophobicContact CE1-CE2 4.31Å; F42-F64 HydrophobicContact CE1-CG 4.25Å; F42-F64 AromaticContact CE2-CD2 3.61Å; F42-F64 HydrophobicContact CE2-CD2 3.61Å; F42-F64 AromaticContact CE2-CE2 3.58Å; F42-F64 HydrophobicContact CE2-CE2 3.58Å; F42-F64 AromaticContact CG-CD2 3.95Å; F42-F64 HydrophobicContact CG-CD2 3.95Å; F42-F64 AromaticContact CZ-CD2 3.46Å; F42-F64 HydrophobicContact CZ-CD2 3.46Å; F42-F64 VanDerWaalsContact CZ-CD2 3.46Å; F42-F64 AromaticContact CZ-CE2 3.74Å; F42-F64 HydrophobicContact CZ-CE2 3.74Å; F42-F64 HydrophobicContact CZ-CG 4.41Å; F64-L66 HydrophobicContact CE1-CB 4.37Å; F64-L66 HydrophobicContact CE1-CD1 3.97Å; F64-L66 HydrophobicContact CZ-CD1 4.36Å; F64-L139 HydrophobicContact CD1-CD1 3.98Å; F64-L139 HydrophobicContact CE1-CD1 3.77Å; F64-L139 HydrophobicContact CE1-CD2 3.86Å; F64-L139 HydrophobicContact CE1-CG 4.35Å; F64-L139 HydrophobicContact CZ-CD2 4.3Å; F64-F148 HydrophobicContact CB-CB 3.72Å; F64-F148 HydrophobicContact CB-CD1 4.2Å; F64-F148 HydrophobicContact CB-CD2 3.64Å; F64-F148 HydrophobicContact CB-CE2 4.33Å; F64-F148 HydrophobicContact CB-CG 3.57Å; F64-F148 HydrophobicContact CD1-CB 4.2Å; F64-F148 AromaticContact CD1-CD2 3.64Å; F64-F148 HydrophobicContact CD1-CD2 3.64Å; F64-F148 HydrophobicContact CD1-CE2 4.45Å; F64-F148 HydrophobicContact CD1-CG 4.23Å; F64-F148 HydrophobicContact CD2-CD2 4.27Å; F64-F148 HydrophobicContact CD2-CE2 4.4Å; F64-F148 HydrophobicContact CE1-CD2 4.36Å; F64-F148 HydrophobicContact CG-CB 4.31Å; F64-F148 AromaticContact CG-CD2 3.57Å; F64-F148 HydrophobicContact CG-CD2 3.57Å; F64-F148 HydrophobicContact CG-CE2 4.13Å; F64-F148 HydrophobicContact CG-CG 4.04Å
65L92.2Very high86.5Confident26 Ų2654.8 Ų54.814%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-101.8119.9172.1-69.7178.1000109.4G40 I41 V63 Y81 I83G40-L65 CarbonylContact C-O 3.59Å; G40-L65 WeakPolarHBondContact CA-O 3.45Å; I41-L65 HydrophobicContact CB-CB 4.5Å; I41-L65 PolarHBondContact N-O 3.33Å; I41-L65 PolarHBondContact O-N 2.55Å; V63-L65 HydrophobicContact CG1-CD2 4.39Å; V63-L65 HydrophobicContact CG1-CG 4.3Å; L65-Y81 HydrophobicContact CD2-CD2 3.85Å; L65-Y81 HydrophobicContact CD2-CG 4.48Å; L65-I83 HydrophobicContact CD1-CD1 3.6Å; L65-I83 HydrophobicContact CD1-CG1 3.88Å
66L93.1Very high87.6Confident4 Ų451.6 Ų51.62%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-67.3145.3172.2-165.671.6000109.1L39 F64 E68 L70 I76 Q78 L139 I141L39-L66 WeakPolarHBondContact O-CD1 3.34Å; F64-L66 HydrophobicContact CE1-CB 4.37Å; F64-L66 HydrophobicContact CE1-CD1 3.97Å; F64-L66 HydrophobicContact CZ-CD1 4.36Å; L66-E68 PolarHBondContact O-N 2.84Å; L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD2-CB 4.11Å; L66-L70 HydrophobicContact CG-CB 4.18Å; L66-L70 HydrophobicContact CG-CD1 4.22Å; L66-I76 HydrophobicContact CD2-CD1 3.75Å; L66-I76 HydrophobicContact CD2-CG2 4.36Å; L66-Q78 PolarHBondContact O-NE2 3.11Å; L66-Q78 PolarHBondContact O-OE1 3.29Å; L66-L139 HydrophobicContact CD1-CD2 3.96Å; L66-I141 HydrophobicContact CD1-CD1 4.39Å; L66-I141 HydrophobicContact CD2-CD1 3.92Å
67S92.1Very high88.4Confident22 Ų2249.6 Ų49.615%0.15427%0.266CS..PPolyproline II helixtrans-50.7129.2175.4175.30000110.9N38 L39 K69 L70 C71N38-S67 WeakPolarHBondContact O-CB 3.46Å; N38-S67 PolarHBondContact O-OG 3.26Å; L39-S67 WeakPolarHBondContact O-CB 3.16Å; L39-S67 PolarHBondContact O-N 2.74Å; S67-K69 PolarHBondContact O-N 3.46Å; S67-K69 PolarHBondContact OG-N 3.09Å; S67-L70 PolarHBondContact O-N 2.92Å; S67-C71 PolarHBondContact O-N 3.44Å
68E89.5Confident89Confident123 Ų12350.2 Ų50.258%0.57527%0.266SS*.Hα-helixtrans-57.5-33.4178.5-178.4169-162.800111.7L66 L70 C71 Q72L66-E68 PolarHBondContact O-N 2.84Å; E68-L70 PolarHBondContact O-N 3.18Å; E68-C71 PolarHBondContact O-N 3.36Å; E68-Q72 HydrophobicContact CG-CG 4.18Å; E68-Q72 WeakPolarHBondContact O-CB 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.36Å; E68-Q72 PolarHBondContact O-N 3.27Å; E68-Q72 PolarHBondContact OE1-NE2 3.49Å
69K89.3Confident89.1Confident140 Ų14049.6 Ų49.661%0.60926%0.258SS*.Hα-helixtrans-58.5-47.6173.9-64.3-175.3177.6-177.50111.6S67 C71 Q72 S73S67-K69 PolarHBondContact O-N 3.46Å; S67-K69 PolarHBondContact OG-N 3.09Å; K69-C71 VanDerWaalsContact C-N 3.33Å; K69-C71 PolarHBondContact O-N 2.93Å; K69-Q72 PolarHBondContact O-N 2.91Å; K69-S73 VanDerWaalsContact O-CB 3.31Å; K69-S73 WeakPolarHBondContact O-CB 3.4Å; K69-S73 PolarHBondContact O-N 3.24Å; K69-S73 PolarHBondContact O-OG 3.15Å
70L90.7Very high89Confident21 Ų2158.4 Ų58.411%0.1130%0.296CS..Hα-helixtrans-65.3-38.3177.1-68177.4000111.4N38 L66 S67 E68 Y74 L119N38-L70 WeakPolarHBondContact O-CD1 3.47Å; L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD2-CB 4.11Å; L66-L70 HydrophobicContact CG-CB 4.18Å; L66-L70 HydrophobicContact CG-CD1 4.22Å; S67-L70 PolarHBondContact O-N 2.92Å; E68-L70 PolarHBondContact O-N 3.18Å; L70-Y74 HydrophobicContact CD2-CD2 4.22Å; L70-Y74 HydrophobicContact CD2-CE2 3.8Å; L70-Y74 WeakPolarHBondContact O-CD2 3.36Å; L70-Y74 PolarHBondContact O-N 3.45Å; L70-L119 HydrophobicContact CD1-CD2 4.17Å
71C91.4Very high88.8Confident15 Ų1557.5 Ų57.510%0.10129%0.291CS..Hα-helixtrans-62.7-45.4176.4-71.80000112.8S67 E68 K69 G75 I76S67-C71 PolarHBondContact O-N 3.44Å; E68-C71 PolarHBondContact O-N 3.36Å; K69-C71 VanDerWaalsContact C-N 3.33Å; K69-C71 PolarHBondContact O-N 2.93Å; C71-G75 CarbonylContact O-C 3.6Å; C71-G75 VanDerWaalsContact O-CA 3.28Å; C71-G75 WeakPolarHBondContact O-CA 3.47Å; C71-G75 PolarHBondContact O-N 3.08Å; C71-I76 PolarHBondContact O-N 2.9Å
72Q91.1Very high88.5Confident134 Ų13463.7 Ų63.763%0.62633%0.328SS*.Hα-helixtrans-70.7-47.7179.8-68.7176.92.100111.5E68 K69 Y74 G75E68-Q72 HydrophobicContact CG-CG 4.18Å; E68-Q72 WeakPolarHBondContact O-CB 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.36Å; E68-Q72 PolarHBondContact O-N 3.27Å; E68-Q72 PolarHBondContact OE1-NE2 3.49Å; K69-Q72 PolarHBondContact O-N 2.91Å; Q72-Y74 VanDerWaalsContact C-N 3.31Å; Q72-Y74 PolarHBondContact O-N 2.93Å; Q72-G75 PolarHBondContact O-N 3.44Å
73S90.3Very high88.1Confident93 Ų9365.7 Ų65.765%0.6534%0.338SS*.Hα-helixtrans-63.2-33-176.6-63.50000113.9K69K69-S73 VanDerWaalsContact O-CB 3.31Å; K69-S73 WeakPolarHBondContact O-CB 3.4Å; K69-S73 PolarHBondContact O-N 3.24Å; K69-S73 PolarHBondContact O-OG 3.15Å
74Y90.9Very high87.6Confident71 Ų7166.6 Ų66.628%0.27834%0.342SS..Hα-helixtrans-113.57.4-177.2-57.9-74.3000113.7L70 Q72 I76 G120 L123L70-Y74 HydrophobicContact CD2-CD2 4.22Å; L70-Y74 HydrophobicContact CD2-CE2 3.8Å; L70-Y74 WeakPolarHBondContact O-CD2 3.36Å; L70-Y74 PolarHBondContact O-N 3.45Å; Q72-Y74 VanDerWaalsContact C-N 3.31Å; Q72-Y74 PolarHBondContact O-N 2.93Å; Y74-I76 VanDerWaalsContact C-N 3.34Å; Y74-I76 PolarHBondContact O-N 3.47Å; Y74-G120 WeakPolarHBondContact OH-CA 3.39Å; Y74-G120 PolarHBondContact OH-O 3.36Å; Y74-L123 HydrophobicContact CD1-CB 3.78Å; Y74-L123 HydrophobicContact CD2-CB 4.08Å; Y74-L123 HydrophobicContact CD2-CD1 3.82Å; Y74-L123 HydrophobicContact CE1-CB 4.13Å; Y74-L123 HydrophobicContact CE2-CB 4.41Å; Y74-L123 HydrophobicContact CE2-CD1 4.22Å; Y74-L123 HydrophobicContact CG-CB 3.75Å; Y74-L123 HydrophobicContact CG-CD1 4.24Å
75G88.9Confident87Confident44 Ų4470.1 Ų70.145%0.45438%0.381SS..THydrogen-bonded Turntrans62.534.4179.500000114.2C71 Q72C71-G75 CarbonylContact O-C 3.6Å; C71-G75 VanDerWaalsContact O-CA 3.28Å; C71-G75 WeakPolarHBondContact O-CA 3.47Å; C71-G75 PolarHBondContact O-N 3.08Å; Q72-G75 PolarHBondContact O-N 3.44Å
76I91.4Very high86.4Confident10 Ų1073.3 Ų73.35%0.05141%0.405CS..  trans-82.7123.4-177.2-55.4165.3000110L66 C71 Y74 Q78 L123 I141 K144L66-I76 HydrophobicContact CD2-CD1 3.75Å; L66-I76 HydrophobicContact CD2-CG2 4.36Å; C71-I76 PolarHBondContact O-N 2.9Å; Y74-I76 VanDerWaalsContact C-N 3.34Å; Y74-I76 PolarHBondContact O-N 3.47Å; I76-Q78 PolarHBondContact O-N 2.97Å; I76-L123 HydrophobicContact CD1-CD1 3.74Å; I76-L123 HydrophobicContact CD1-CD2 3.87Å; I76-L123 HydrophobicContact CD1-CG 4.38Å; I76-I141 HydrophobicContact CD1-CD1 4.26Å; I76-I141 HydrophobicContact CD1-CG2 4.23Å; I76-I141 HydrophobicContact CG1-CG2 4.48Å; I76-I141 HydrophobicContact CG2-CG2 4.39Å; I76-K144 CarbonylContact C-O 3.49Å; I76-K144 WeakPolarHBondContact CA-O 3.45Å
77V86.9Confident86Confident107 Ų10773.9 Ų73.965%0.64841%0.408SS*.BIsolated β-bridgetrans-83.3114.4174-175.90000109.2K144V77-K144 PolarHBondContact N-O 3.22Å
78Q85.5Confident85.6Confident53 Ų5376.4 Ų76.425%0.24842%0.424CS..  trans-119.5152.5171.770.5174.10.400111.4L66 I76L66-Q78 PolarHBondContact O-NE2 3.11Å; L66-Q78 PolarHBondContact O-OE1 3.29Å; I76-Q78 PolarHBondContact O-N 2.97Å
79R78.3Confident85.6Confident101 Ų10175.1 Ų75.138%0.38142%0.42SS..  trans-75.4133.6172-78-171.8179.1155.610.6109.8Y81 E173R79-Y81 HydrophobicContact CB-CD2 4.48Å; R79-Y81 HydrophobicContact CB-CE2 4.21Å; R79-Y81 PolarHBondContact O-N 3.21Å; R79-E173 VanDerWaalsContact CZ-O 3.27Å; R79-E173 PolarHBondContact NH1-O 3.33Å; R79-E173 PolarHBondContact NH2-O 3.02Å
80K79Confident85.6Confident196 Ų19671.4 Ų71.485%0.85241%0.407SS*.  trans-77110.7170.1-65.6-170.3177.5-168.50108.4
81Y81.1Confident85.6Confident32 Ų3275.8 Ų75.813%0.12543%0.427CS..  trans-96.1139.1167.9-67-78000108.9R61 V63 L65 R79 I83 S175 D176R61-Y81 PolarHBondContact NH1-OH 3.41Å; V63-Y81 HydrophobicContact CB-CD2 4.35Å; V63-Y81 HydrophobicContact CB-CG 4.43Å; V63-Y81 HydrophobicContact CG1-CD1 4.31Å; V63-Y81 HydrophobicContact CG1-CD2 3.12Å; V63-Y81 HydrophobicContact CG1-CE2 3.56Å; V63-Y81 HydrophobicContact CG1-CG 3.5Å; V63-Y81 HydrophobicContact CG2-CD1 4.09Å; V63-Y81 HydrophobicContact CG2-CD2 4.28Å; V63-Y81 HydrophobicContact CG2-CE1 4.26Å; V63-Y81 HydrophobicContact CG2-CE2 4.37Å; V63-Y81 HydrophobicContact CG2-CG 4.07Å; L65-Y81 HydrophobicContact CD2-CD2 3.85Å; L65-Y81 HydrophobicContact CD2-CG 4.48Å; R79-Y81 HydrophobicContact CB-CD2 4.48Å; R79-Y81 HydrophobicContact CB-CE2 4.21Å; R79-Y81 PolarHBondContact O-N 3.21Å; Y81-I83 PolarHBondContact O-N 3.49Å; Y81-S175 VanDerWaalsContact CE2-OG 3.24Å; Y81-S175 WeakPolarHBondContact CE2-OG 3.38Å; Y81-S175 PolarHBondContact OH-OG 3.29Å; Y81-D176 WeakPolarHBondContact CE2-OD2 3.21Å; Y81-D176 PolarHBondContact OH-OD2 3.19Å
82V81.7Confident85.4Confident129 Ų12975.3 Ų75.378%0.78242%0.423SS*.  trans-79.5112.7168-177.10000106.3
83I81.5Confident85.3Confident48 Ų4872.5 Ų72.525%0.24641%0.412CS..  trans-71.4134.7170.8-64.7167.3000107.4I41 L65 Y81 G85I41-I83 HydrophobicContact CB-CD1 4.39Å; I41-I83 HydrophobicContact CG2-CD1 3.72Å; L65-I83 HydrophobicContact CD1-CD1 3.6Å; L65-I83 HydrophobicContact CD1-CG1 3.88Å; Y81-I83 PolarHBondContact O-N 3.49Å; I83-G85 PolarHBondContact O-N 3.42Å
84E81Confident85.2Confident22 Ų2269.1 Ų69.110%0.10339%0.385CS..  trans-61.5117.6177.3-165.5-162.3141.600111.1F44 H46 H60 S86 I87F44-E84 PolarHBondContact O-N 2.95Å; H46-E84 IonicContact CD2-OE1 3.4Å; H46-E84 IonicContact CD2-OE2 3.9Å; H46-E84 PolarHBondContact CD2-OE2 3.42Å; H46-E84 IonicContact CE1-OE1 3.21Å; H46-E84 IonicContact NE2-OE1 2.74Å; H46-E84 PolarHBondContact NE2-OE1 2.94Å; H46-E84 IonicContact NE2-OE2 2.81Å; H46-E84 PolarHBondContact NE2-OE2 3.34Å; H46-E84 VanDerWaalsContact NE2-OE2 3.09Å; H60-E84 IonicContact CE1-OE1 3.33Å; H60-E84 IonicContact CE1-OE2 2.55Å; H60-E84 PolarHBondContact CE1-OE2 3.21Å; H60-E84 IonicContact CG-OE2 3.79Å; H60-E84 IonicContact ND1-OE1 2.74Å; H60-E84 IonicContact ND1-OE2 3.42Å; H60-E84 PolarHBondContact ND1-OE2 3.39Å; E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 VanDerWaalsContact CG-OG 3.24Å; E84-S86 WeakPolarHBondContact CG-OG 3.33Å; E84-S86 PolarHBondContact O-N 3.49Å; E84-S86 PolarHBondContact OE1-OG 3.14Å; E84-I87 HydrophobicContact CB-CD1 4.42Å; E84-I87 PolarHBondContact O-N 2.87Å; E84-I87 WeakPolarHBondContact OE2-CD1 3.38Å
85G80.3Confident85.1Confident82 Ų8269 Ų6985%0.84540%0.395SS*.THydrogen-bonded Turntrans-71.4-20-175.500000114.8I83 I87I83-G85 PolarHBondContact O-N 3.42Å; G85-I87 VanDerWaalsContact C-N 3.26Å; G85-I87 PolarHBondContact O-N 3.33Å
86S80.6Confident85.1Confident92 Ų9270.4 Ų70.464%0.64339%0.389SS*.THydrogen-bonded Turntrans-68.9-22.9174.723.90000112.9E84E84-S86 VanDerWaalsContact C-N 3.3Å; E84-S86 VanDerWaalsContact CG-OG 3.24Å; E84-S86 WeakPolarHBondContact CG-OG 3.33Å; E84-S86 PolarHBondContact O-N 3.49Å; E84-S86 PolarHBondContact OE1-OG 3.14Å
87I83.9Confident84.8Confident16 Ų1669.9 Ų69.98%0.08239%0.387CS..SBendtrans-92125.4-179.7-67.2172.5000109.9K31 C33 F44 E84 G85 L89K31-I87 WeakPolarHBondContact O-CG2 3.47Å; C33-I87 HydrophobicContact CB-CG2 4.18Å; C33-I87 WeakPolarHBondContact SG-CG2 3.41Å; F44-I87 HydrophobicContact CB-CD1 3.69Å; F44-I87 HydrophobicContact CD2-CD1 3.73Å; F44-I87 HydrophobicContact CD2-CG2 4.36Å; F44-I87 HydrophobicContact CG-CD1 3.93Å; E84-I87 HydrophobicContact CB-CD1 4.42Å; E84-I87 PolarHBondContact O-N 2.87Å; E84-I87 WeakPolarHBondContact OE2-CD1 3.38Å; G85-I87 VanDerWaalsContact C-N 3.26Å; G85-I87 PolarHBondContact O-N 3.33Å; I87-L89 PolarHBondContact O-N 3.34Å
88P85.2Confident85Confident75 Ų7566.3 Ų66.349%0.48737%0.366SS..  trans-63.3127.3-178.325-34.5000111.6K32 C33 I90K32-P88 HydrophobicContact CG-CG 4.47Å; C33-P88 PolarHBondContact N-O 3.46Å; P88-I90 HydrophobicContact CB-CG1 4.43Å
89L89Confident85.1Confident96 Ų9667.1 Ų67.150%0.50338%0.378SS..EExtended strand (participates in β ladder)trans-84.3107.5170.1-178.666.6000109.9C33 K35 I41 I87C33-L89 HydrophobicContact CB-CB 4.4Å; C33-L89 HydrophobicContact CB-CD1 3.81Å; K35-L89 HydrophobicContact CB-CD1 4.13Å; I41-L89 HydrophobicContact CG2-CD1 3.62Å; I87-L89 PolarHBondContact O-N 3.34Å
90I89.5Confident85.5Confident63 Ų6366.6 Ų66.632%0.32338%0.38SS..EExtended strand (participates in β ladder)trans-103.5128.2-178.2-57.1175.2000108.6K32 C33 V34 K35 P88K32-I90 HydrophobicContact CB-CD1 3.98Å; K32-I90 HydrophobicContact CD-CD1 3.6Å; K32-I90 HydrophobicContact CG-CD1 3.96Å; C33-I90 PolarHBondContact O-N 3.1Å; V34-I90 CarbonylContact C-O 3.37Å; V34-I90 WeakPolarHBondContact CA-O 3.31Å; K35-I90 PolarHBondContact N-O 3.42Å; P88-I90 HydrophobicContact CB-CG1 4.43Å
91Q90.3Very high85.7Confident113 Ų11358.9 Ų58.953%0.52835%0.348SS..EExtended strand (participates in β ladder)trans-72141.2168.7-177.3165.7-24.500109.8N93Q91-N93 PolarHBondContact O-N 3.25Å
92L88Confident86Confident4 Ų464.7 Ų64.72%0.02138%0.38CS..  trans-54.2113.7178.9-165.371.8000110.4L20 Y23 V34 K35 F36 Y94 L97 I112L20-L92 HydrophobicContact CD1-CD2 4.38Å; Y23-L92 HydrophobicContact CD1-CD1 4.17Å; Y23-L92 HydrophobicContact CE1-CD1 3.93Å; V34-L92 HydrophobicContact CG1-CB 4.48Å; V34-L92 HydrophobicContact CG1-CD1 3.86Å; K35-L92 PolarHBondContact O-N 3.36Å; K35-L92 VanDerWaalsContact O-N 3.1Å; F36-L92 HydrophobicContact CD1-CD2 4.08Å; F36-L92 HydrophobicContact CE1-CD2 3.75Å; F36-L92 HydrophobicContact CZ-CD1 4.47Å; F36-L92 HydrophobicContact CZ-CD2 4.16Å; L92-Y94 HydrophobicContact CB-CE1 4.44Å; L92-Y94 HydrophobicContact CD2-CD1 4.31Å; L92-Y94 HydrophobicContact CD2-CE1 3.8Å; L92-Y94 HydrophobicContact CG-CE1 4.32Å; L92-Y94 PolarHBondContact O-N 3.46Å; L92-L97 HydrophobicContact CD1-CD1 3.99Å; L92-L97 HydrophobicContact CD2-CD1 3.97Å; L92-L97 HydrophobicContact CG-CD1 3.82Å; L92-I112 HydrophobicContact CD2-CD1 3.67Å
93N87.7Confident86.3Confident75 Ų7559.7 Ų59.740%0.40135%0.35SS..  trans-84.297.7-178.9-175.4-9.8000109.5Q91 S95 E96 L97Q91-N93 PolarHBondContact O-N 3.25Å; N93-S95 VanDerWaalsContact C-N 3.25Å; N93-S95 PolarHBondContact O-N 3.37Å; N93-S95 WeakPolarHBondContact OD1-CB 3.45Å; N93-S95 PolarHBondContact OD1-N 3.26Å; N93-S95 VanDerWaalsContact OD1-N 3.1Å; N93-E96 HydrophobicContact CB-CB 4.08Å; N93-E96 PolarHBondContact O-N 3.32Å; N93-E96 PolarHBondContact OD1-N 3.3Å; N93-L97 PolarHBondContact O-N 3.32Å
94Y89.6Confident86.7Confident22 Ų2260.7 Ų60.79%0.08636%0.36CS..Hα-helixtrans-64-28.9-179.8-52.3-68.1000113.3S37 L92 L97 S98 I108 E109 I112S37-Y94 WeakPolarHBondContact CB-OH 3.36Å; S37-Y94 PolarHBondContact OG-OH 3.3Å; S37-Y94 VanDerWaalsContact OG-OH 3.13Å; L92-Y94 HydrophobicContact CB-CE1 4.44Å; L92-Y94 HydrophobicContact CD2-CD1 4.31Å; L92-Y94 HydrophobicContact CD2-CE1 3.8Å; L92-Y94 HydrophobicContact CG-CE1 4.32Å; L92-Y94 PolarHBondContact O-N 3.46Å; Y94-L97 PolarHBondContact O-N 2.94Å; Y94-S98 WeakPolarHBondContact O-CB 3.46Å; Y94-S98 PolarHBondContact O-N 2.89Å; Y94-I108 HydrophobicContact CD1-CG2 4.11Å; Y94-E109 HydrophobicContact CD1-CG 3.98Å; Y94-E109 HydrophobicContact CD2-CG 4.11Å; Y94-E109 WeakPolarHBondContact CD2-OE1 3.07Å; Y94-E109 HydrophobicContact CE1-CG 4.14Å; Y94-E109 HydrophobicContact CE2-CG 4.27Å; Y94-E109 HydrophobicContact CG-CG 3.98Å; Y94-I112 HydrophobicContact CD1-CD1 4.33Å; Y94-I112 HydrophobicContact CE1-CD1 3.58Å
95S88.7Confident87.1Confident68 Ų6865.7 Ų65.748%0.47638%0.378SS..Hα-helixtrans-69.2-38.8178.8-55.10000111.9N93 S98 S99N93-S95 VanDerWaalsContact C-N 3.25Å; N93-S95 PolarHBondContact O-N 3.37Å; N93-S95 WeakPolarHBondContact OD1-CB 3.45Å; N93-S95 PolarHBondContact OD1-N 3.26Å; N93-S95 VanDerWaalsContact OD1-N 3.1Å; S95-S98 PolarHBondContact O-N 3.41Å; S95-S99 PolarHBondContact O-N 3.22Å; S95-S99 PolarHBondContact O-OG 2.93Å
96E87.4Confident87.5Confident74 Ų7469 Ų6935%0.34637%0.371SS..Hα-helixtrans-68.4-36.5175.3-177.264.1-160.400111.8Y23 N93 S99 Q100Y23-E96 HydrophobicContact CE2-CG 3.78Å; N93-E96 HydrophobicContact CB-CB 4.08Å; N93-E96 PolarHBondContact O-N 3.32Å; N93-E96 PolarHBondContact OD1-N 3.3Å; E96-S99 PolarHBondContact O-OG 3.38Å; E96-Q100 WeakPolarHBondContact O-CB 3.45Å; E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.25Å; E96-Q100 PolarHBondContact O-N 3.44Å; E96-Q100 PolarHBondContact OE1-NE2 3.37Å
97L86.7Confident87.9Confident0 Ų069.1 Ų69.10%036%0.361CS..Hα-helixtrans-68.5-42.8173.1-77.2168.8000111.6Y23 L92 N93 Y94 S99 Q100 I101 I108Y23-L97 HydrophobicContact CD1-CD1 4.25Å; Y23-L97 HydrophobicContact CD1-CD2 3.43Å; Y23-L97 VanDerWaalsContact CD1-CD2 3.43Å; Y23-L97 HydrophobicContact CD1-CG 3.92Å; Y23-L97 HydrophobicContact CD2-CD2 3.73Å; Y23-L97 HydrophobicContact CD2-CG 4.41Å; Y23-L97 HydrophobicContact CE1-CD1 4.37Å; Y23-L97 HydrophobicContact CE1-CD2 4.05Å; Y23-L97 HydrophobicContact CE1-CG 4.04Å; Y23-L97 HydrophobicContact CE2-CD2 4.32Å; Y23-L97 HydrophobicContact CG-CD2 3.23Å; Y23-L97 HydrophobicContact CG-CG 4.1Å; L92-L97 HydrophobicContact CD1-CD1 3.99Å; L92-L97 HydrophobicContact CD2-CD1 3.97Å; L92-L97 HydrophobicContact CG-CD1 3.82Å; N93-L97 PolarHBondContact O-N 3.32Å; Y94-L97 PolarHBondContact O-N 2.94Å; L97-S99 VanDerWaalsContact C-N 3.31Å; L97-S99 PolarHBondContact O-N 2.76Å; L97-Q100 PolarHBondContact O-N 2.95Å; L97-I101 HydrophobicContact CB-CD1 4.38Å; L97-I101 HydrophobicContact CD2-CD1 4Å; L97-I101 WeakPolarHBondContact O-CB 3.32Å; L97-I101 VanDerWaalsContact O-CG1 3.27Å; L97-I101 WeakPolarHBondContact O-CG1 3.31Å; L97-I101 PolarHBondContact O-N 3.42Å; L97-I108 HydrophobicContact CB-CD1 3.9Å; L97-I108 HydrophobicContact CD1-CG2 4.26Å
98S89.8Confident88.1Confident31 Ų3168.4 Ų68.422%0.21736%0.357CS..Hα-helixtrans-58.4-42.5177.6176.60000111.5Y94 S95 L102 V103Y94-S98 WeakPolarHBondContact O-CB 3.46Å; Y94-S98 PolarHBondContact O-N 2.89Å; S95-S98 PolarHBondContact O-N 3.41Å; S98-L102 VanDerWaalsContact O-CA 3.3Å; S98-L102 WeakPolarHBondContact O-CA 3.33Å; S98-L102 PolarHBondContact O-N 3.36Å; S98-V103 VanDerWaalsContact CA-O 3.31Å; S98-V103 WeakPolarHBondContact CA-O 3.49Å; S98-V103 WeakPolarHBondContact CB-O 3.5Å; S98-V103 PolarHBondContact O-N 2.72Å; S98-V103 PolarHBondContact OG-O 2.87Å
99S88.5Confident88.4Confident70 Ų7067.9 Ų67.949%0.4935%0.349SS..Hα-helixtrans-71.1-35.5176.759.90000113.6S95 E96 L97S95-S99 PolarHBondContact O-N 3.22Å; S95-S99 PolarHBondContact O-OG 2.93Å; E96-S99 PolarHBondContact O-OG 3.38Å; L97-S99 VanDerWaalsContact C-N 3.31Å; L97-S99 PolarHBondContact O-N 2.76Å
100Q85.6Confident88.4Confident90 Ų9067.8 Ų67.842%0.42135%0.349SS..Hα-helixtrans-75-41.4179.7-73.9-177.230.700113.1E96 L97E96-Q100 WeakPolarHBondContact O-CB 3.45Å; E96-Q100 VanDerWaalsContact O-CG 3.28Å; E96-Q100 WeakPolarHBondContact O-CG 3.25Å; E96-Q100 PolarHBondContact O-N 3.44Å; E96-Q100 PolarHBondContact OE1-NE2 3.37Å; L97-Q100 PolarHBondContact O-N 2.95Å
101I84.2Confident88.4Confident34 Ų3464.9 Ų64.917%0.17433%0.334CS..Hα-helixtrans-89.9-13-175.3-50.7171.4000110.9E19 L97 V103E19-I101 HydrophobicContact CB-CD1 3.57Å; E19-I101 HydrophobicContact CB-CG1 3.8Å; E19-I101 HydrophobicContact CB-CG2 4.08Å; E19-I101 HydrophobicContact CG-CG1 4.43Å; E19-I101 HydrophobicContact CG-CG2 4.16Å; L97-I101 HydrophobicContact CB-CD1 4.38Å; L97-I101 HydrophobicContact CD2-CD1 4Å; L97-I101 WeakPolarHBondContact O-CB 3.32Å; L97-I101 VanDerWaalsContact O-CG1 3.27Å; L97-I101 WeakPolarHBondContact O-CG1 3.31Å; L97-I101 PolarHBondContact O-N 3.42Å; I101-V103 HydrophobicContact CB-CB 4.38Å; I101-V103 HydrophobicContact CB-CG2 4.34Å; I101-V103 HydrophobicContact CG2-CB 4.14Å; I101-V103 HydrophobicContact CG2-CG2 3.64Å; I101-V103 PolarHBondContact O-N 3.02Å
102L86.8Confident88.4Confident154 Ų15459.7 Ų59.781%0.80631%0.31SS*.THydrogen-bonded Turntrans58.133.8-173-57.6170.3000112.5S98S98-L102 VanDerWaalsContact O-CA 3.3Å; S98-L102 WeakPolarHBondContact O-CA 3.33Å; S98-L102 PolarHBondContact O-N 3.36Å
103V87.8Confident88.5Confident24 Ų2463.7 Ų63.715%0.14533%0.328CS..  trans-115.3134.2-179167.90000108.8I16 S98 I101 R105 Q107 I108I16-V103 HydrophobicContact CD1-CG1 4.1Å; S98-V103 VanDerWaalsContact CA-O 3.31Å; S98-V103 WeakPolarHBondContact CA-O 3.49Å; S98-V103 WeakPolarHBondContact CB-O 3.5Å; S98-V103 PolarHBondContact O-N 2.72Å; S98-V103 PolarHBondContact OG-O 2.87Å; I101-V103 HydrophobicContact CB-CB 4.38Å; I101-V103 HydrophobicContact CB-CG2 4.34Å; I101-V103 HydrophobicContact CG2-CB 4.14Å; I101-V103 HydrophobicContact CG2-CG2 3.64Å; I101-V103 PolarHBondContact O-N 3.02Å; V103-R105 PolarHBondContact O-N 3.47Å; V103-Q107 HydrophobicContact CG1-CB 3.67Å; V103-Q107 HydrophobicContact CG1-CG 4.47Å; V103-I108 HydrophobicContact CB-CG1 4.46Å; V103-I108 HydrophobicContact CG1-CD1 4.47Å; V103-I108 HydrophobicContact CG1-CG1 3.97Å
104P89.6Confident88.7Confident70 Ų7062.3 Ų62.346%0.45532%0.321SS..  trans-51.8136.9177.4-2633.7000111.9E106 Q107 I108P104-E106 PolarHBondContact O-N 3.25Å; P104-Q107 HydrophobicContact CB-CG 4.41Å; P104-Q107 PolarHBondContact O-N 2.98Å; P104-I108 PolarHBondContact O-N 3.47Å
105R89.8Confident88.7Confident127 Ų12761.4 Ų61.448%0.47932%0.317SS..Hα-helixtrans-47.5-40178.9173173.1171.5-158-11.5113V103 Q107 I108 E109V103-R105 PolarHBondContact O-N 3.47Å; R105-Q107 PolarHBondContact O-N 3.43Å; R105-I108 PolarHBondContact O-N 3.12Å; R105-E109 IonicContact CZ-OE1 2.76Å; R105-E109 IonicContact NE-OE1 3.58Å; R105-E109 PolarHBondContact NE-OE1 2.77Å; R105-E109 IonicContact NH2-OE1 3.86Å; R105-E109 PolarHBondContact NH2-OE1 2.9Å; R105-E109 PolarHBondContact O-N 2.72Å; R105-E109 VanDerWaalsContact O-N 3.11Å
106E89.5Confident88.8Confident150 Ų15058.7 Ų58.770%0.70130%0.299SS*.Hα-helixtrans-60.1-41.5179.9-63.5175.8-179.200112.3P104 I108 E109 D110P104-E106 PolarHBondContact O-N 3.25Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 3.26Å; E106-E109 PolarHBondContact O-N 2.94Å; E106-D110 WeakPolarHBondContact O-CB 3.3Å; E106-D110 PolarHBondContact O-N 3.1Å
107Q89Confident89Confident96 Ų9658.3 Ų58.345%0.44930%0.301SS..Hα-helixtrans-67.6-34.1179.5-66.5-176.17.100112.3I16 V103 P104 R105 C111I16-Q107 HydrophobicContact CD1-CB 4.36Å; V103-Q107 HydrophobicContact CG1-CB 3.67Å; V103-Q107 HydrophobicContact CG1-CG 4.47Å; P104-Q107 HydrophobicContact CB-CG 4.41Å; P104-Q107 PolarHBondContact O-N 2.98Å; R105-Q107 PolarHBondContact O-N 3.43Å; Q107-C111 WeakPolarHBondContact O-CB 3.42Å; Q107-C111 PolarHBondContact O-N 2.99Å
108I88.6Confident89.2Confident0 Ų059.6 Ų59.60%031%0.309CS..Hα-helixtrans-68.6-43.5175.9-61.6163.8000110.2I16 L20 Y94 L97 V103 P104 R105 E106 C111 I112I16-I108 HydrophobicContact CG2-CG1 4.28Å; L20-I108 HydrophobicContact CD1-CG2 4.39Å; Y94-I108 HydrophobicContact CD1-CG2 4.11Å; L97-I108 HydrophobicContact CB-CD1 3.9Å; L97-I108 HydrophobicContact CD1-CG2 4.26Å; V103-I108 HydrophobicContact CB-CG1 4.46Å; V103-I108 HydrophobicContact CG1-CD1 4.47Å; V103-I108 HydrophobicContact CG1-CG1 3.97Å; P104-I108 PolarHBondContact O-N 3.47Å; R105-I108 PolarHBondContact O-N 3.12Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 3.26Å; I108-C111 PolarHBondContact O-N 3.47Å; I108-I112 HydrophobicContact CG2-CD1 4.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.38Å; I108-I112 PolarHBondContact O-N 3.17Å
109E90.3Very high89.3Confident64 Ų6458.2 Ų58.230%0.29930%0.299SS..Hα-helixtrans-63-43.7176.2-70.7-176.4-174.300111.2Y94 R105 E106 C111 I112 Q113Y94-E109 HydrophobicContact CD1-CG 3.98Å; Y94-E109 HydrophobicContact CD2-CG 4.11Å; Y94-E109 WeakPolarHBondContact CD2-OE1 3.07Å; Y94-E109 HydrophobicContact CE1-CG 4.14Å; Y94-E109 HydrophobicContact CE2-CG 4.27Å; Y94-E109 HydrophobicContact CG-CG 3.98Å; R105-E109 IonicContact CZ-OE1 2.76Å; R105-E109 IonicContact NE-OE1 3.58Å; R105-E109 PolarHBondContact NE-OE1 2.77Å; R105-E109 IonicContact NH2-OE1 3.86Å; R105-E109 PolarHBondContact NH2-OE1 2.9Å; R105-E109 PolarHBondContact O-N 2.72Å; R105-E109 VanDerWaalsContact O-N 3.11Å; E106-E109 PolarHBondContact O-N 2.94Å; E109-C111 PolarHBondContact O-N 2.93Å; E109-I112 PolarHBondContact O-N 2.92Å; E109-Q113 VanDerWaalsContact O-CB 3.32Å; E109-Q113 WeakPolarHBondContact O-CB 3.4Å; E109-Q113 PolarHBondContact O-N 3.45Å
110D89.5Confident89.3Confident95 Ų9555.1 Ų55.151%0.50828%0.278SS..Hα-helixtrans-62.6-40.6176.2-78.6-15.7000112.4E106 I112 Q113 N114E106-D110 WeakPolarHBondContact O-CB 3.3Å; E106-D110 PolarHBondContact O-N 3.1Å; D110-I112 PolarHBondContact O-N 3.38Å; D110-Q113 PolarHBondContact O-N 3.4Å; D110-N114 VanDerWaalsContact O-CB 3.25Å; D110-N114 WeakPolarHBondContact O-CB 3.42Å; D110-N114 PolarHBondContact O-N 3.3Å; D110-N114 PolarHBondContact O-ND2 3.35Å; D110-N114 VanDerWaalsContact O-ND2 3.14Å
111C89.5Confident89.6Confident1 Ų156 Ų561%0.00728%0.283CS..Hα-helixtrans-58.4-49.7175.7-178.20000111.3I16 Q107 I108 E109 Q113 N114 V115I16-C111 HydrophobicContact CG2-CB 4.06Å; Q107-C111 WeakPolarHBondContact O-CB 3.42Å; Q107-C111 PolarHBondContact O-N 2.99Å; I108-C111 PolarHBondContact O-N 3.47Å; E109-C111 PolarHBondContact O-N 2.93Å; C111-Q113 PolarHBondContact O-N 3.12Å; C111-N114 PolarHBondContact O-N 2.93Å; C111-V115 WeakPolarHBondContact O-CG2 3.29Å; C111-V115 PolarHBondContact O-N 3.23Å
112I90Very high89.9Confident5 Ų557 Ų573%0.02628%0.284CS..Hα-helixtrans-65.4-41179.2-63.5162.3000111W17 L20 F36 L92 Y94 I108 E109 D110 V115 C116W17-I112 HydrophobicContact CZ3-CG1 4.43Å; L20-I112 HydrophobicContact CD1-CD1 3.62Å; L20-I112 HydrophobicContact CD1-CG1 3.58Å; F36-I112 HydrophobicContact CD1-CG2 4.24Å; F36-I112 HydrophobicContact CE1-CD1 4.42Å; L92-I112 HydrophobicContact CD2-CD1 3.67Å; Y94-I112 HydrophobicContact CD1-CD1 4.33Å; Y94-I112 HydrophobicContact CE1-CD1 3.58Å; I108-I112 HydrophobicContact CG2-CD1 4.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.38Å; I108-I112 PolarHBondContact O-N 3.17Å; E109-I112 PolarHBondContact O-N 2.92Å; D110-I112 PolarHBondContact O-N 3.38Å; I112-V115 PolarHBondContact O-N 3.18Å; I112-C116 PolarHBondContact O-N 3.25Å; I112-C116 PolarHBondContact O-SG 3.36Å
113Q90.4Very high90Very high87 Ų8750.4 Ų50.441%0.40725%0.25SC..Hα-helixtrans-65.8-40.2178.7-174.162.312.400111.1E109 D110 C111 V115 C116 V117E109-Q113 VanDerWaalsContact O-CB 3.32Å; E109-Q113 WeakPolarHBondContact O-CB 3.4Å; E109-Q113 PolarHBondContact O-N 3.45Å; D110-Q113 PolarHBondContact O-N 3.4Å; C111-Q113 PolarHBondContact O-N 3.12Å; Q113-V115 VanDerWaalsContact C-N 3.32Å; Q113-V115 PolarHBondContact O-N 2.7Å; Q113-C116 PolarHBondContact O-N 2.93Å; Q113-V117 HydrophobicContact CG-CG2 4.41Å; Q113-V117 WeakPolarHBondContact O-CB 3.18Å; Q113-V117 VanDerWaalsContact O-CG2 3.31Å; Q113-V117 WeakPolarHBondContact O-CG2 3.5Å; Q113-V117 PolarHBondContact O-N 3.15Å
114N90.5Very high90.1Very high47 Ų4757.7 Ų57.725%0.25128%0.276SS..Hα-helixtrans-60.1-41.3173.5-76.9-31.5000111.4D110 C111 T118D110-N114 VanDerWaalsContact O-CB 3.25Å; D110-N114 WeakPolarHBondContact O-CB 3.42Å; D110-N114 PolarHBondContact O-N 3.3Å; D110-N114 PolarHBondContact O-ND2 3.35Å; D110-N114 VanDerWaalsContact O-ND2 3.14Å; C111-N114 PolarHBondContact O-N 2.93Å; N114-T118 VanDerWaalsContact O-CB 3.31Å; N114-T118 WeakPolarHBondContact O-CB 3.34Å; N114-T118 PolarHBondContact O-N 2.84Å; N114-T118 PolarHBondContact O-OG1 3.44Å
115V90.9Very high90Very high2 Ų259.8 Ų59.81%0.01228%0.279CS..Hα-helixtrans-63.4-44.7174.4173.70000110.9I11 W17 C111 I112 Q113 T118 L119 V131I11-V115 HydrophobicContact CD1-CG2 4.14Å; I11-V115 HydrophobicContact CG1-CG2 4.07Å; I11-V115 HydrophobicContact CG2-CG2 3.95Å; W17-V115 HydrophobicContact CE3-CG2 3.97Å; W17-V115 HydrophobicContact CH2-CB 4.45Å; W17-V115 HydrophobicContact CH2-CG1 4.06Å; W17-V115 HydrophobicContact CH2-CG2 4.24Å; W17-V115 HydrophobicContact CZ3-CB 4.27Å; W17-V115 HydrophobicContact CZ3-CG1 4.39Å; W17-V115 HydrophobicContact CZ3-CG2 3.83Å; C111-V115 WeakPolarHBondContact O-CG2 3.29Å; C111-V115 PolarHBondContact O-N 3.23Å; I112-V115 PolarHBondContact O-N 3.18Å; Q113-V115 VanDerWaalsContact C-N 3.32Å; Q113-V115 PolarHBondContact O-N 2.7Å; V115-T118 PolarHBondContact O-N 3.44Å; V115-L119 VanDerWaalsContact O-CB 3.24Å; V115-L119 WeakPolarHBondContact O-CB 3.35Å; V115-L119 PolarHBondContact O-N 3.25Å; V115-V131 HydrophobicContact CG1-CG1 4.06Å; V115-V131 HydrophobicContact CG1-CG2 4.48Å
116C90.8Very high89.8Confident12 Ų1260.1 Ų60.18%0.08129%0.287CS..Hα-helixtrans-63.4-44.7178.6-67.30000112.7I112 Q113 L119 G120I112-C116 PolarHBondContact O-N 3.25Å; I112-C116 PolarHBondContact O-SG 3.36Å; Q113-C116 PolarHBondContact O-N 2.93Å; C116-L119 PolarHBondContact O-N 2.97Å; C116-G120 PolarHBondContact O-N 2.65Å
117V91.2Very high89.7Confident66 Ų6659 Ų5940%0.428%0.279SS..Hα-helixtrans-64.5-45.7177.1170.70000110.4Q113 L119 G120 Q121Q113-V117 HydrophobicContact CG-CG2 4.41Å; Q113-V117 WeakPolarHBondContact O-CB 3.18Å; Q113-V117 VanDerWaalsContact O-CG2 3.31Å; Q113-V117 WeakPolarHBondContact O-CG2 3.5Å; Q113-V117 PolarHBondContact O-N 3.15Å; V117-L119 PolarHBondContact O-N 3.47Å; V117-G120 PolarHBondContact O-N 2.9Å; V117-Q121 WeakPolarHBondContact O-CG 3.33Å; V117-Q121 PolarHBondContact O-N 3.5Å
118T90.8Very high89.6Confident27 Ų2757.4 Ų57.417%0.16627%0.271CS..Hα-helixtrans-62.4-44.7177.8-49.40000110.8I9 N114 V115 G120 Q121 Y122I9-T118 HydrophobicContact CB-CG2 4.47Å; I9-T118 HydrophobicContact CG1-CG2 4.32Å; I9-T118 HydrophobicContact CG2-CG2 3.58Å; N114-T118 VanDerWaalsContact O-CB 3.31Å; N114-T118 WeakPolarHBondContact O-CB 3.34Å; N114-T118 PolarHBondContact O-N 2.84Å; N114-T118 PolarHBondContact O-OG1 3.44Å; V115-T118 PolarHBondContact O-N 3.44Å; T118-G120 VanDerWaalsContact C-N 3.32Å; T118-G120 PolarHBondContact O-N 3.13Å; T118-Q121 WeakPolarHBondContact O-CB 3.34Å; T118-Q121 PolarHBondContact O-N 3.27Å; T118-Q121 VanDerWaalsContact O-N 3.15Å; T118-Y122 HydrophobicContact CG2-CD2 4.07Å; T118-Y122 HydrophobicContact CG2-CE2 3.82Å; T118-Y122 VanDerWaalsContact O-CD2 3.28Å; T118-Y122 WeakPolarHBondContact O-CD2 3.17Å; T118-Y122 PolarHBondContact O-N 3.07Å; T118-Y122 VanDerWaalsContact O-N 3.08Å
119L91.3Very high89.7Confident1 Ų157.5 Ų57.51%0.00527%0.272CS..Hα-helixtrans-57-47.1173.5-177.963.1000111I9 L39 L70 V115 C116 V117 Q121 Y122 L123 A129 V131 L139 I141I9-L119 HydrophobicContact CD1-CB 4.04Å; I9-L119 HydrophobicContact CD1-CD1 3.62Å; I9-L119 HydrophobicContact CD1-CG 4.46Å; L39-L119 HydrophobicContact CD1-CD2 3.68Å; L70-L119 HydrophobicContact CD1-CD2 4.17Å; V115-L119 VanDerWaalsContact O-CB 3.24Å; V115-L119 WeakPolarHBondContact O-CB 3.35Å; V115-L119 PolarHBondContact O-N 3.25Å; C116-L119 PolarHBondContact O-N 2.97Å; V117-L119 PolarHBondContact O-N 3.47Å; L119-Q121 VanDerWaalsContact C-N 3.3Å; L119-Q121 PolarHBondContact O-N 3.34Å; L119-Y122 PolarHBondContact O-N 3.34Å; L119-L123 HydrophobicContact CD1-CD1 4.28Å; L119-L123 HydrophobicContact CD1-CG 4.34Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.38Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 WeakPolarHBondContact O-CG 3.26Å; L119-L123 PolarHBondContact O-N 2.81Å; L119-A129 HydrophobicContact CD1-CB 3.74Å; L119-V131 HydrophobicContact CD1-CG2 4.14Å; L119-L139 HydrophobicContact CD2-CD2 4.38Å; L119-I141 HydrophobicContact CD1-CD1 4.14Å
120G89.8Confident89.7Confident5 Ų555.8 Ų55.85%0.05226%0.264CS..Hα-helixtrans-56.9-39.7175.600000113.4Y74 C116 V117 T118 L123 Y124Y74-G120 WeakPolarHBondContact OH-CA 3.39Å; Y74-G120 PolarHBondContact OH-O 3.36Å; C116-G120 PolarHBondContact O-N 2.65Å; V117-G120 PolarHBondContact O-N 2.9Å; T118-G120 VanDerWaalsContact C-N 3.32Å; T118-G120 PolarHBondContact O-N 3.13Å; G120-L123 PolarHBondContact O-N 2.74Å; G120-Y124 WeakPolarHBondContact O-CB 3.04Å; G120-Y124 PolarHBondContact O-N 2.91Å
121Q90.5Very high89.8Confident110 Ų11051.3 Ų51.351%0.51424%0.24SC..Hα-helixtrans-65.1-43175.2-71.3175.8-1.300112.4V117 T118 L119 L123 Y124 H125V117-Q121 WeakPolarHBondContact O-CG 3.33Å; V117-Q121 PolarHBondContact O-N 3.5Å; T118-Q121 WeakPolarHBondContact O-CB 3.34Å; T118-Q121 PolarHBondContact O-N 3.27Å; T118-Q121 VanDerWaalsContact O-N 3.15Å; L119-Q121 VanDerWaalsContact C-N 3.3Å; L119-Q121 PolarHBondContact O-N 3.34Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; Q121-Y124 PolarHBondContact O-N 3.13Å; Q121-H125 PolarHBondContact O-N 2.82Å; Q121-H125 PolarHBondContact O-ND1 3.13Å
122Y90.4Very high89.9Confident53 Ų5353.7 Ų53.721%0.20825%0.252CS..Hα-helixtrans-65-40.4176.5-83.5-112.1000111.4I9 T118 L119 H125 E126 K127 A129I9-Y122 HydrophobicContact CG1-CD2 4.09Å; I9-Y122 HydrophobicContact CG1-CE2 4.08Å; I9-Y122 HydrophobicContact CG1-CG 4.35Å; T118-Y122 HydrophobicContact CG2-CD2 4.07Å; T118-Y122 HydrophobicContact CG2-CE2 3.82Å; T118-Y122 VanDerWaalsContact O-CD2 3.28Å; T118-Y122 WeakPolarHBondContact O-CD2 3.17Å; T118-Y122 PolarHBondContact O-N 3.07Å; T118-Y122 VanDerWaalsContact O-N 3.08Å; L119-Y122 PolarHBondContact O-N 3.34Å; Y122-H125 PolarHBondContact O-N 2.8Å; Y122-E126 PolarHBondContact O-N 2.99Å; Y122-K127 HydrophobicContact CD1-CB 4.13Å; Y122-K127 PolarHBondContact O-N 3.34Å; Y122-A129 HydrophobicContact CG-CB 4.49Å
123L90.8Very high90Very high16 Ų1653.4 Ų53.48%0.08425%0.251CS..Hα-helixtrans-67.3-39.3178.4-66.7173.6000112.6Y74 I76 L119 G120 Q121 H125 E126 I141Y74-L123 HydrophobicContact CD1-CB 3.78Å; Y74-L123 HydrophobicContact CD2-CB 4.08Å; Y74-L123 HydrophobicContact CD2-CD1 3.82Å; Y74-L123 HydrophobicContact CE1-CB 4.13Å; Y74-L123 HydrophobicContact CE2-CB 4.41Å; Y74-L123 HydrophobicContact CE2-CD1 4.22Å; Y74-L123 HydrophobicContact CG-CB 3.75Å; Y74-L123 HydrophobicContact CG-CD1 4.24Å; I76-L123 HydrophobicContact CD1-CD1 3.74Å; I76-L123 HydrophobicContact CD1-CD2 3.87Å; I76-L123 HydrophobicContact CD1-CG 4.38Å; L119-L123 HydrophobicContact CD1-CD1 4.28Å; L119-L123 HydrophobicContact CD1-CG 4.34Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.38Å; L119-L123 WeakPolarHBondContact O-CB 3.47Å; L119-L123 WeakPolarHBondContact O-CG 3.26Å; L119-L123 PolarHBondContact O-N 2.81Å; G120-L123 PolarHBondContact O-N 2.74Å; Q121-L123 VanDerWaalsContact C-N 3.33Å; L123-H125 VanDerWaalsContact C-N 3.28Å; L123-H125 PolarHBondContact O-N 3.17Å; L123-E126 PolarHBondContact O-N 3.44Å; L123-I141 HydrophobicContact CD1-CD1 4.37Å; L123-I141 HydrophobicContact CD2-CB 4Å; L123-I141 HydrophobicContact CD2-CD1 4Å; L123-I141 HydrophobicContact CD2-CG2 3.53Å
124Y89.1Confident90Very high177 Ų17750.5 Ų50.569%0.69424%0.238SC*.Hα-helixtrans-59-39.3174.8-177.9-98000112.3G120 Q121 E126G120-Y124 WeakPolarHBondContact O-CB 3.04Å; G120-Y124 PolarHBondContact O-N 2.91Å; Q121-Y124 PolarHBondContact O-N 3.13Å; Y124-E126 VanDerWaalsContact C-N 3.26Å; Y124-E126 PolarHBondContact O-N 3.37Å
125H87.5Confident89.9Confident114 Ų11452.4 Ų52.453%0.52825%0.248SC..THydrogen-bonded Turntrans-85.28.1177.7-63.195.6000113.7Q121 Y122 L123 K127Q121-H125 PolarHBondContact O-N 2.82Å; Q121-H125 PolarHBondContact O-ND1 3.13Å; Y122-H125 PolarHBondContact O-N 2.8Å; L123-H125 VanDerWaalsContact C-N 3.28Å; L123-H125 PolarHBondContact O-N 3.17Å; H125-K127 HydrophobicContact CB-CD 4Å; H125-K127 HydrophobicContact CB-CG 3.86Å; H125-K127 PolarHBondContact O-N 3.01Å
126E85.4Confident90Very high135 Ų13552.3 Ų52.363%0.63125%0.247SC*.THydrogen-bonded Turntrans50.627.8-173.9-57.1-167.5158.400114Y122 L123 Y124 K144Y122-E126 PolarHBondContact O-N 2.99Å; L123-E126 PolarHBondContact O-N 3.44Å; Y124-E126 VanDerWaalsContact C-N 3.26Å; Y124-E126 PolarHBondContact O-N 3.37Å; E126-K144 WeakPolarHBondContact OE1-CE 3.48Å; E126-K144 IonicContact OE1-NZ 3.37Å; E126-K144 PolarHBondContact OE1-NZ 2.93Å
127K87.3Confident90.1Very high125 Ų12551.7 Ų51.754%0.54324%0.243SC..  trans-78.6155.1178.6-69.3179.2-178.8177.60110.4Y122 H125 A129Y122-K127 HydrophobicContact CD1-CB 4.13Å; Y122-K127 PolarHBondContact O-N 3.34Å; H125-K127 HydrophobicContact CB-CD 4Å; H125-K127 HydrophobicContact CB-CG 3.86Å; H125-K127 PolarHBondContact O-N 3.01Å; K127-A129 PolarHBondContact O-N 3.18Å
128F87.5Confident90.1Very high64 Ų6450.4 Ų50.428%0.28123%0.232SC..  trans-61.6121.3168.3174.2-103.9000109.2E130 R140 N142F128-E130 HydrophobicContact CE1-CB 3.8Å; F128-E130 HydrophobicContact CZ-CB 3.97Å; F128-R140 HydrophobicContact CE2-CB 4.27Å; F128-R140 HydrophobicContact CZ-CB 4.48Å; F128-R140 HydrophobicContact CZ-CG 4.34Å; F128-N142 HydrophobicContact CD2-CB 3.86Å; F128-N142 HydrophobicContact CE2-CB 4.35Å
129A89.8Confident90.2Very high1 Ų149.1 Ų49.11%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-112.4131.3178.200000110I9 L119 Y122 K127 R140 I141I9-A129 HydrophobicContact CD1-CB 4.18Å; L119-A129 HydrophobicContact CD1-CB 3.74Å; Y122-A129 HydrophobicContact CG-CB 4.49Å; K127-A129 PolarHBondContact O-N 3.18Å; A129-R140 WeakPolarHBondContact O-CA 3.25Å; A129-I141 HydrophobicContact CB-CB 4.4Å; A129-I141 PolarHBondContact N-O 2.6Å; A129-I141 PolarHBondContact O-N 3.32Å
130E91.4Very high90.3Very high29 Ų2953.9 Ų53.914%0.13624%0.242CC..EExtended strand (participates in β ladder)trans-132.3119.9175.5-175.3164.5-148.200109.8I9 F128 K138 L139 R140I9-E130 PolarHBondContact N-O 3.26Å; F128-E130 HydrophobicContact CE1-CB 3.8Å; F128-E130 HydrophobicContact CZ-CB 3.97Å; E130-K138 VanDerWaalsContact OE1-CD 3.26Å; E130-K138 WeakPolarHBondContact OE1-CD 3.28Å; E130-K138 WeakPolarHBondContact OE1-CE 3.46Å; E130-K138 IonicContact OE1-NZ 3.14Å; E130-L139 CarbonylContact C-O 3.36Å; E130-L139 VanDerWaalsContact CA-O 3.25Å; E130-L139 WeakPolarHBondContact CA-O 3.08Å; E130-R140 HydrophobicContact CG-CG 4.12Å
131V91.7Very high90.3Very high1 Ų153.8 Ų53.81%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-111.7123.6173.7-1760000108I9 W17 V115 L119 F133 K138 L139I9-V131 HydrophobicContact CB-CG2 4.48Å; I9-V131 HydrophobicContact CD1-CG2 3.5Å; I9-V131 VanDerWaalsContact CD1-CG2 3.5Å; W17-V131 HydrophobicContact CZ2-CG1 3.97Å; V115-V131 HydrophobicContact CG1-CG1 4.06Å; V115-V131 HydrophobicContact CG1-CG2 4.48Å; L119-V131 HydrophobicContact CD1-CG2 4.14Å; V131-F133 HydrophobicContact CB-CE2 4.24Å; V131-F133 HydrophobicContact CG1-CD2 4.33Å; V131-F133 HydrophobicContact CG1-CE2 3.84Å; V131-F133 HydrophobicContact CG1-CZ 4.31Å; V131-K138 CarbonylContact O-C 3.59Å; V131-K138 VanDerWaalsContact O-CA 3.28Å; V131-K138 WeakPolarHBondContact O-CA 3.24Å; V131-L139 HydrophobicContact CB-CB 4.27Å; V131-L139 PolarHBondContact N-O 3.03Å; V131-L139 PolarHBondContact O-N 3.36Å
132I91.5Very high90.2Very high50 Ų5052.3 Ų52.326%0.25624%0.236SC..EExtended strand (participates in β ladder)trans-95125.6-179.2-57.8174.3000108.4W17 K138 F151W17-I132 PolarHBondContact NE1-O 3.11Å; I132-K138 HydrophobicContact CG1-CB 4.46Å; I132-F151 HydrophobicContact CG2-CZ 4.46Å
133F92.5Very high90Very high0 Ų058.5 Ų58.50%026%0.264CS..EExtended strand (participates in β ladder)trans-104.9101.2170-67.9-99.5000107.3W17 L24 L39 F42 V131 D135 I136 G137 L139 F148 F151W17-F133 HydrophobicContact CH2-CD1 4.46Å; W17-F133 AromaticContact CH2-CE1 3.89Å; W17-F133 HydrophobicContact CH2-CE1 3.89Å; W17-F133 HydrophobicContact CH2-CZ 4.3Å; W17-F133 AromaticContact CZ2-CD1 3.86Å; W17-F133 HydrophobicContact CZ2-CD1 3.86Å; W17-F133 AromaticContact CZ2-CE1 3.67Å; W17-F133 HydrophobicContact CZ2-CE1 3.67Å; W17-F133 HydrophobicContact CZ2-CG 4.42Å; W17-F133 HydrophobicContact CZ2-CZ 4.08Å; L24-F133 HydrophobicContact CD2-CD1 4.19Å; L39-F133 HydrophobicContact CD2-CE1 4.31Å; L39-F133 HydrophobicContact CD2-CZ 3.82Å; F42-F133 HydrophobicContact CE2-CD1 4.27Å; F42-F133 AromaticContact CE2-CE1 3.84Å; F42-F133 HydrophobicContact CE2-CE1 3.84Å; F42-F133 HydrophobicContact CE2-CZ 4.27Å; F42-F133 AromaticContact CZ-CD1 3.83Å; F42-F133 HydrophobicContact CZ-CD1 3.83Å; F42-F133 HydrophobicContact CZ-CD2 4.48Å; F42-F133 AromaticContact CZ-CE1 3.71Å; F42-F133 HydrophobicContact CZ-CE1 3.71Å; F42-F133 HydrophobicContact CZ-CE2 4.39Å; F42-F133 HydrophobicContact CZ-CG 4.21Å; F42-F133 AromaticContact CZ-CZ 3.98Å; F42-F133 HydrophobicContact CZ-CZ 3.98Å; V131-F133 HydrophobicContact CB-CE2 4.24Å; V131-F133 HydrophobicContact CG1-CD2 4.33Å; V131-F133 HydrophobicContact CG1-CE2 3.84Å; V131-F133 HydrophobicContact CG1-CZ 4.31Å; F133-D135 PolarHBondContact O-N 3.39Å; F133-I136 HydrophobicContact CB-CB 4.17Å; F133-I136 PolarHBondContact O-N 3.46Å; F133-I136 VanDerWaalsContact O-N 3.1Å; F133-G137 CarbonylContact C-O 3.43Å; F133-G137 WeakPolarHBondContact CA-O 3.44Å; F133-G137 WeakPolarHBondContact CB-O 3.38Å; F133-G137 PolarHBondContact N-O 2.99Å; F133-G137 PolarHBondContact O-N 2.88Å; F133-L139 HydrophobicContact CE2-CB 4.12Å; F133-F148 HydrophobicContact CB-CZ 4.41Å; F133-F148 AromaticContact CD2-CE2 3.59Å; F133-F148 HydrophobicContact CD2-CE2 3.59Å; F133-F148 AromaticContact CD2-CZ 3.92Å; F133-F148 HydrophobicContact CD2-CZ 3.92Å; F133-F148 AromaticContact CE2-CE2 3.76Å; F133-F148 HydrophobicContact CE2-CE2 3.76Å; F133-F148 HydrophobicContact CG-CE2 4.33Å; F133-F148 HydrophobicContact CG-CZ 4.3Å; F133-F151 WeakPolarHBondContact O-CE2 3.43Å
134N89.8Confident89.8Confident26 Ų2662.4 Ų62.414%0.13928%0.281CS..THydrogen-bonded Turntrans-56.9140-172.5-56.1-52.4000110.8Q18 C21 I136Q18-N134 VanDerWaalsContact CD-CG 3.42Å; Q18-N134 VanDerWaalsContact NE2-CG 3.29Å; Q18-N134 PolarHBondContact NE2-ND2 3.14Å; Q18-N134 PolarHBondContact OE1-ND2 3.13Å; C21-N134 HydrophobicContact CB-CB 4.18Å; N134-I136 PolarHBondContact O-N 3.12Å
135D88Confident89.9Confident86 Ų8661 Ų6146%0.4628%0.278SS..THydrogen-bonded Turntrans56.79-177-50.3-32.4000116.6F133 F154F133-D135 PolarHBondContact O-N 3.39Å; D135-F154 WeakPolarHBondContact O-CB 3.49Å
136I92.4Very high90Very high0 Ų056.2 Ų56.20%026%0.258CS..THydrogen-bonded Turntrans-121.9-53.7176.4-59.9168.2000111.2L24 R25 L28 F42 F133 N134 F148 F150 F151 F154L24-I136 HydrophobicContact CB-CD1 3.9Å; L24-I136 HydrophobicContact CD2-CD1 3.51Å; L24-I136 HydrophobicContact CG-CD1 3.65Å; R25-I136 HydrophobicContact CB-CD1 4.06Å; R25-I136 HydrophobicContact CB-CG1 3.92Å; R25-I136 HydrophobicContact CG-CG1 4.47Å; L28-I136 HydrophobicContact CD1-CD1 4.29Å; L28-I136 HydrophobicContact CD1-CG2 4.27Å; F42-I136 HydrophobicContact CE1-CG2 4.31Å; F133-I136 HydrophobicContact CB-CB 4.17Å; F133-I136 PolarHBondContact O-N 3.46Å; F133-I136 VanDerWaalsContact O-N 3.1Å; N134-I136 PolarHBondContact O-N 3.12Å; I136-F148 HydrophobicContact CG2-CE1 4.43Å; I136-F148 HydrophobicContact CG2-CZ 4.37Å; I136-F150 HydrophobicContact CG2-CD1 4.13Å; I136-F150 HydrophobicContact CG2-CE1 4.19Å; I136-F150 WeakPolarHBondContact O-CA 3.28Å; I136-F151 VanDerWaalsContact C-CD2 3.45Å; I136-F151 PolarHBondContact O-N 2.9Å; I136-F154 HydrophobicContact CG1-CD2 4.36Å; I136-F154 HydrophobicContact CG1-CE2 4.4Å; I136-F154 HydrophobicContact CG2-CD1 4.38Å; I136-F154 HydrophobicContact CG2-CE1 4.29Å; I136-F154 HydrophobicContact CG2-CZ 4.42Å
137G92.8Very high90.2Very high0 Ų053 Ų530%024%0.241CC..EExtended strand (participates in β ladder)trans165.1-161.4-17600000114.6F133 C149F133-G137 CarbonylContact C-O 3.43Å; F133-G137 WeakPolarHBondContact CA-O 3.44Å; F133-G137 WeakPolarHBondContact CB-O 3.38Å; F133-G137 PolarHBondContact N-O 2.99Å; F133-G137 PolarHBondContact O-N 2.88Å; G137-C149 CarbonylContact C-O 3.59Å; G137-C149 WeakPolarHBondContact CA-O 3.24Å
138K92.9Very high90.4Very high38 Ų3847 Ų4717%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-143130.9179.764.5-159.1-170.9-173.50112.6E130 V131 I132 R140 C149 T179E130-K138 VanDerWaalsContact OE1-CD 3.26Å; E130-K138 WeakPolarHBondContact OE1-CD 3.28Å; E130-K138 WeakPolarHBondContact OE1-CE 3.46Å; E130-K138 IonicContact OE1-NZ 3.14Å; V131-K138 CarbonylContact O-C 3.59Å; V131-K138 VanDerWaalsContact O-CA 3.28Å; V131-K138 WeakPolarHBondContact O-CA 3.24Å; I132-K138 HydrophobicContact CG1-CB 4.46Å; K138-R140 HydrophobicContact CG-CG 4.34Å; K138-C149 HydrophobicContact CG-CB 4.06Å; K138-C149 PolarHBondContact N-O 2.83Å; K138-C149 PolarHBondContact O-N 2.92Å; K138-T179 HydrophobicContact CD-CG2 4.06Å; K138-T179 WeakPolarHBondContact CE-OG1 3.38Å; K138-T179 HydrophobicContact CG-CG2 4.36Å; K138-T179 PolarHBondContact NZ-OG1 2.59Å
139L93Very high90.6Very high1 Ų144.4 Ų44.41%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-83.4124.5172.317562.5000109.1F64 L66 L119 E130 V131 F133 I141 F148F64-L139 HydrophobicContact CD1-CD1 3.98Å; F64-L139 HydrophobicContact CE1-CD1 3.77Å; F64-L139 HydrophobicContact CE1-CD2 3.86Å; F64-L139 HydrophobicContact CE1-CG 4.35Å; F64-L139 HydrophobicContact CZ-CD2 4.3Å; L66-L139 HydrophobicContact CD1-CD2 3.96Å; L119-L139 HydrophobicContact CD2-CD2 4.38Å; E130-L139 CarbonylContact C-O 3.36Å; E130-L139 VanDerWaalsContact CA-O 3.25Å; E130-L139 WeakPolarHBondContact CA-O 3.08Å; V131-L139 HydrophobicContact CB-CB 4.27Å; V131-L139 PolarHBondContact N-O 3.03Å; V131-L139 PolarHBondContact O-N 3.36Å; F133-L139 HydrophobicContact CE2-CB 4.12Å; L139-I141 HydrophobicContact CD1-CG1 4.23Å; L139-I141 HydrophobicContact CD2-CD1 4.32Å; L139-I141 HydrophobicContact CG-CD1 4.42Å; L139-I141 HydrophobicContact CG-CG1 4.24Å; L139-F148 HydrophobicContact CB-CD2 3.82Å; L139-F148 HydrophobicContact CB-CE2 4.11Å; L139-F148 HydrophobicContact CD1-CD2 4.27Å
140R91.5Very high90.7Very high100 Ų10044.4 Ų44.438%0.37721%0.205SC..EExtended strand (participates in β ladder)trans-121.6122.3178-62.7179.568.9-1744.7109.6F128 A129 E130 K138 K147F128-R140 HydrophobicContact CE2-CB 4.27Å; F128-R140 HydrophobicContact CZ-CB 4.48Å; F128-R140 HydrophobicContact CZ-CG 4.34Å; A129-R140 WeakPolarHBondContact O-CA 3.25Å; E130-R140 HydrophobicContact CG-CG 4.12Å; K138-R140 HydrophobicContact CG-CG 4.34Å; R140-K147 PolarHBondContact N-O 3.13Å; R140-K147 PolarHBondContact O-N 3.38Å
141I91.5Very high90.7Very high3 Ų343.6 Ų43.62%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-118.2119.4175.5-50.6179.6000108.5L66 I76 L119 L123 A129 L139 K145L66-I141 HydrophobicContact CD1-CD1 4.39Å; L66-I141 HydrophobicContact CD2-CD1 3.92Å; I76-I141 HydrophobicContact CD1-CD1 4.26Å; I76-I141 HydrophobicContact CD1-CG2 4.23Å; I76-I141 HydrophobicContact CG1-CG2 4.48Å; I76-I141 HydrophobicContact CG2-CG2 4.39Å; L119-I141 HydrophobicContact CD1-CD1 4.14Å; L123-I141 HydrophobicContact CD1-CD1 4.37Å; L123-I141 HydrophobicContact CD2-CB 4Å; L123-I141 HydrophobicContact CD2-CD1 4Å; L123-I141 HydrophobicContact CD2-CG2 3.53Å; A129-I141 HydrophobicContact CB-CB 4.4Å; A129-I141 PolarHBondContact N-O 2.6Å; A129-I141 PolarHBondContact O-N 3.32Å; L139-I141 HydrophobicContact CD1-CG1 4.23Å; L139-I141 HydrophobicContact CD2-CD1 4.32Å; L139-I141 HydrophobicContact CG-CD1 4.42Å; L139-I141 HydrophobicContact CG-CG1 4.24Å; I141-K145 WeakPolarHBondContact CA-O 3.31Å
142N88.4Confident90.5Very high80 Ų8046.6 Ų46.643%0.42822%0.217SC..EExtended strand (participates in β ladder)trans-140.5135.3-178.8-165.91.4000110.2F128 K144 K145F128-N142 HydrophobicContact CD2-CB 3.86Å; F128-N142 HydrophobicContact CE2-CB 4.35Å; N142-K144 VanDerWaalsContact C-N 3.26Å; N142-K144 PolarHBondContact O-N 3.31Å; N142-K145 PolarHBondContact N-O 2.97Å; N142-K145 WeakPolarHBondContact O-CB 3.44Å; N142-K145 PolarHBondContact O-N 2.97Å
143K85.8Confident90.3Very high182 Ų18246.4 Ų46.479%0.79122%0.22SC*.THydrogen-bonded Turntrans46.647.9178.3-61.1-178.8179.9-175.60112.7K145K143-K145 PolarHBondContact O-N 3.1Å
144K87.3Confident90.2Very high99 Ų9946.4 Ų46.443%0.4322%0.22SC..THydrogen-bonded Turntrans60.223-179-57.5179.7179.2169.20114.9I76 V77 E126 N142I76-K144 CarbonylContact C-O 3.49Å; I76-K144 WeakPolarHBondContact CA-O 3.45Å; V77-K144 PolarHBondContact N-O 3.22Å; E126-K144 WeakPolarHBondContact OE1-CE 3.48Å; E126-K144 IonicContact OE1-NZ 3.37Å; E126-K144 PolarHBondContact OE1-NZ 2.93Å; N142-K144 VanDerWaalsContact C-N 3.26Å; N142-K144 PolarHBondContact O-N 3.31Å
145K89.8Confident90.2Very high147 Ų14745.2 Ų45.264%0.63921%0.213SC*.EExtended strand (participates in β ladder)trans-117.1128.8172.5-64.4-177.7179.4-179.80109.9I141 N142 K143I141-K145 WeakPolarHBondContact CA-O 3.31Å; N142-K145 PolarHBondContact N-O 2.97Å; N142-K145 WeakPolarHBondContact O-CB 3.44Å; N142-K145 PolarHBondContact O-N 2.97Å; K143-K145 PolarHBondContact O-N 3.1Å
146S90.2Very high90.1Very high14 Ų1443.3 Ų43.310%0.09821%0.207CC..EExtended strand (participates in β ladder)trans-93.2133.1174.8-177.20000110.8
147K88.9Confident89.9Confident66 Ų6646.9 Ų46.929%0.28722%0.224SC..EExtended strand (participates in β ladder)trans-137.1127.7173.1-166.6-177.5179.4158.10111.1R140 P172 S174 S175R140-K147 PolarHBondContact N-O 3.13Å; R140-K147 PolarHBondContact O-N 3.38Å; K147-P172 PolarHBondContact NZ-O 3.45Å; K147-P172 VanDerWaalsContact NZ-O 3.15Å; K147-S174 VanDerWaalsContact CE-O 3.25Å; K147-S174 WeakPolarHBondContact CE-O 3.41Å; K147-S174 PolarHBondContact NZ-O 3.43Å; K147-S175 CarbonylContact C-O 3.46Å; K147-S175 WeakPolarHBondContact CA-O 3.32Å; K147-S175 WeakPolarHBondContact CG-O 3.45Å
148F92.8Very high89.6Confident1 Ų148.3 Ų48.30%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-104.4118.3173.4-164.8-82.4000111.7F42 F64 F133 I136 L139 F150 S175 D176 G177F42-F148 HydrophobicContact CE1-CE1 4.17Å; F42-F148 AromaticContact CE1-CE2 3.83Å; F42-F148 HydrophobicContact CE1-CE2 3.83Å; F42-F148 AromaticContact CE1-CZ 3.59Å; F42-F148 HydrophobicContact CE1-CZ 3.59Å; F42-F148 AromaticContact CZ-CE2 3.92Å; F42-F148 HydrophobicContact CZ-CE2 3.92Å; F42-F148 AromaticContact CZ-CZ 3.99Å; F42-F148 HydrophobicContact CZ-CZ 3.99Å; F64-F148 HydrophobicContact CB-CB 3.72Å; F64-F148 HydrophobicContact CB-CD1 4.2Å; F64-F148 HydrophobicContact CB-CD2 3.64Å; F64-F148 HydrophobicContact CB-CE2 4.33Å; F64-F148 HydrophobicContact CB-CG 3.57Å; F64-F148 HydrophobicContact CD1-CB 4.2Å; F64-F148 AromaticContact CD1-CD2 3.64Å; F64-F148 HydrophobicContact CD1-CD2 3.64Å; F64-F148 HydrophobicContact CD1-CE2 4.45Å; F64-F148 HydrophobicContact CD1-CG 4.23Å; F64-F148 HydrophobicContact CD2-CD2 4.27Å; F64-F148 HydrophobicContact CD2-CE2 4.4Å; F64-F148 HydrophobicContact CE1-CD2 4.36Å; F64-F148 HydrophobicContact CG-CB 4.31Å; F64-F148 AromaticContact CG-CD2 3.57Å; F64-F148 HydrophobicContact CG-CD2 3.57Å; F64-F148 HydrophobicContact CG-CE2 4.13Å; F64-F148 HydrophobicContact CG-CG 4.04Å; F133-F148 HydrophobicContact CB-CZ 4.41Å; F133-F148 AromaticContact CD2-CE2 3.59Å; F133-F148 HydrophobicContact CD2-CE2 3.59Å; F133-F148 AromaticContact CD2-CZ 3.92Å; F133-F148 HydrophobicContact CD2-CZ 3.92Å; F133-F148 AromaticContact CE2-CE2 3.76Å; F133-F148 HydrophobicContact CE2-CE2 3.76Å; F133-F148 HydrophobicContact CG-CE2 4.33Å; F133-F148 HydrophobicContact CG-CZ 4.3Å; I136-F148 HydrophobicContact CG2-CE1 4.43Å; I136-F148 HydrophobicContact CG2-CZ 4.37Å; L139-F148 HydrophobicContact CB-CD2 3.82Å; L139-F148 HydrophobicContact CB-CE2 4.11Å; L139-F148 HydrophobicContact CD1-CD2 4.27Å; F148-F150 AromaticContact CD1-CD1 3.98Å; F148-F150 HydrophobicContact CD1-CD1 3.98Å; F148-F150 AromaticContact CD1-CD2 3.88Å; F148-F150 HydrophobicContact CD1-CD2 3.88Å; F148-F150 AromaticContact CD1-CE1 3.78Å; F148-F150 HydrophobicContact CD1-CE1 3.78Å; F148-F150 AromaticContact CD1-CE2 3.68Å; F148-F150 HydrophobicContact CD1-CE2 3.68Å; F148-F150 HydrophobicContact CD1-CG 4.03Å; F148-F150 AromaticContact CD1-CZ 3.62Å; F148-F150 HydrophobicContact CD1-CZ 3.62Å; F148-F150 AromaticContact CE1-CD1 3.58Å; F148-F150 HydrophobicContact CE1-CD1 3.58Å; F148-F150 HydrophobicContact CE1-CD2 4.33Å; F148-F150 AromaticContact CE1-CE1 3.49Å; F148-F150 HydrophobicContact CE1-CE1 3.49Å; F148-F150 VanDerWaalsContact CE1-CE1 3.49Å; F148-F150 HydrophobicContact CE1-CE2 4.25Å; F148-F150 HydrophobicContact CE1-CG 4.01Å; F148-F150 AromaticContact CE1-CZ 3.84Å; F148-F150 HydrophobicContact CE1-CZ 3.84Å; F148-F150 HydrophobicContact CZ-CE1 4.49Å; F148-S175 PolarHBondContact N-O 2.87Å; F148-D176 CarbonylContact O-C 3.58Å; F148-D176 WeakPolarHBondContact O-CA 3.37Å; F148-D176 VanDerWaalsContact O-CB 3.3Å; F148-D176 WeakPolarHBondContact O-CB 3.47Å; F148-G177 PolarHBondContact O-N 3.41Å; F148-G177 VanDerWaalsContact O-N 3.08Å
149C91Very high89Confident8 Ų847.9 Ų47.95%0.05423%0.231CC..EExtended strand (participates in β ladder)trans-100.6112.2178.2-65.50000110.9G137 K138 G177 T179G137-C149 CarbonylContact C-O 3.59Å; G137-C149 WeakPolarHBondContact CA-O 3.24Å; K138-C149 HydrophobicContact CG-CB 4.06Å; K138-C149 PolarHBondContact N-O 2.83Å; K138-C149 PolarHBondContact O-N 2.92Å; C149-G177 CarbonylContact C-O 3.53Å; C149-G177 WeakPolarHBondContact CA-O 3.4Å; C149-T179 HydrophobicContact CB-CG2 3.91Å
150F91.9Very high88.2Confident1 Ų154.9 Ų54.90%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-74.9147.5174-66.6-83.5000111.3P62 I136 F148 F154 L155 F168 D176 G177 V178 T179P62-F150 HydrophobicContact CB-CE1 4.05Å; P62-F150 HydrophobicContact CB-CE2 4.29Å; P62-F150 HydrophobicContact CB-CZ 3.87Å; P62-F150 HydrophobicContact CG-CD2 4.5Å; P62-F150 HydrophobicContact CG-CE1 4.46Å; P62-F150 HydrophobicContact CG-CE2 4.36Å; P62-F150 HydrophobicContact CG-CZ 4.35Å; P62-F150 WeakPolarHBondContact O-CE2 3.1Å; I136-F150 HydrophobicContact CG2-CD1 4.13Å; I136-F150 HydrophobicContact CG2-CE1 4.19Å; I136-F150 WeakPolarHBondContact O-CA 3.28Å; F148-F150 AromaticContact CD1-CD1 3.98Å; F148-F150 HydrophobicContact CD1-CD1 3.98Å; F148-F150 AromaticContact CD1-CD2 3.88Å; F148-F150 HydrophobicContact CD1-CD2 3.88Å; F148-F150 AromaticContact CD1-CE1 3.78Å; F148-F150 HydrophobicContact CD1-CE1 3.78Å; F148-F150 AromaticContact CD1-CE2 3.68Å; F148-F150 HydrophobicContact CD1-CE2 3.68Å; F148-F150 HydrophobicContact CD1-CG 4.03Å; F148-F150 AromaticContact CD1-CZ 3.62Å; F148-F150 HydrophobicContact CD1-CZ 3.62Å; F148-F150 AromaticContact CE1-CD1 3.58Å; F148-F150 HydrophobicContact CE1-CD1 3.58Å; F148-F150 HydrophobicContact CE1-CD2 4.33Å; F148-F150 AromaticContact CE1-CE1 3.49Å; F148-F150 HydrophobicContact CE1-CE1 3.49Å; F148-F150 VanDerWaalsContact CE1-CE1 3.49Å; F148-F150 HydrophobicContact CE1-CE2 4.25Å; F148-F150 HydrophobicContact CE1-CG 4.01Å; F148-F150 AromaticContact CE1-CZ 3.84Å; F148-F150 HydrophobicContact CE1-CZ 3.84Å; F148-F150 HydrophobicContact CZ-CE1 4.49Å; F150-F154 AromaticContact CD1-CD1 3.86Å; F150-F154 HydrophobicContact CD1-CD1 3.86Å; F150-F154 AromaticContact CD1-CE1 3.87Å; F150-F154 HydrophobicContact CD1-CE1 3.87Å; F150-F154 HydrophobicContact CE1-CE1 4.2Å; F150-L155 HydrophobicContact CB-CD1 3.99Å; F150-L155 HydrophobicContact CB-CD2 3.8Å; F150-L155 HydrophobicContact CB-CG 3.83Å; F150-L155 HydrophobicContact CG-CD2 4.16Å; F150-F168 AromaticContact CD2-CE1 3.97Å; F150-F168 HydrophobicContact CD2-CE1 3.97Å; F150-F168 AromaticContact CD2-CZ 3.95Å; F150-F168 HydrophobicContact CD2-CZ 3.95Å; F150-F168 HydrophobicContact CE2-CE1 4.46Å; F150-F168 HydrophobicContact CE2-CZ 4.34Å; F150-D176 HydrophobicContact CD2-CB 4.44Å; F150-D176 HydrophobicContact CE2-CB 4.23Å; F150-G177 PolarHBondContact N-O 2.77Å; F150-V178 CarbonylContact O-C 3.4Å; F150-V178 WeakPolarHBondContact O-CA 3.49Å; F150-T179 PolarHBondContact O-N 2.8Å
151F91.3Very high87.5Confident13 Ų1354 Ų546%0.05727%0.274CS..EExtended strand (participates in β ladder)trans-73148.5174.3-76.6-39000111.7I132 F133 I136 S153 F154 L155 T179 D181I132-F151 HydrophobicContact CG2-CZ 4.46Å; F133-F151 WeakPolarHBondContact O-CE2 3.43Å; I136-F151 VanDerWaalsContact C-CD2 3.45Å; I136-F151 PolarHBondContact O-N 2.9Å; F151-S153 VanDerWaalsContact C-N 3.34Å; F151-F154 HydrophobicContact CB-CB 4.26Å; F151-F154 PolarHBondContact O-N 2.85Å; F151-L155 WeakPolarHBondContact O-CG 3.4Å; F151-L155 PolarHBondContact O-N 3.48Å; F151-L155 VanDerWaalsContact O-N 3.12Å; F151-T179 HydrophobicContact CD1-CG2 3.51Å; F151-T179 HydrophobicContact CE1-CG2 3.63Å; F151-D181 WeakPolarHBondContact CB-OD1 3.07Å
152N86.8Confident86.7Confident63 Ų6355.1 Ų55.134%0.33729%0.287SS..Hα-helixtrans-70-36.1-178.1-167.130.5000111.3L155 S156 V165 V178 T179 D181N152-L155 PolarHBondContact O-N 3.46Å; N152-S156 WeakPolarHBondContact O-CB 3.23Å; N152-S156 PolarHBondContact O-N 3.41Å; N152-S156 PolarHBondContact O-OG 2.87Å; N152-V165 VanDerWaalsContact OD1-CG1 3.32Å; N152-V165 WeakPolarHBondContact OD1-CG1 3.5Å; N152-V165 WeakPolarHBondContact OD1-CG2 3.44Å; N152-V178 HydrophobicContact CB-CG1 3.94Å; N152-T179 PolarHBondContact N-O 2.64Å; N152-D181 PolarHBondContact N-OD1 2.85Å
153S87.6Confident86.1Confident47 Ų4755.1 Ų55.133%0.32928%0.281SS..Hα-helixtrans-57.6-51.5173.246.30000111.7F151 L155 S156 E157 D181F151-S153 VanDerWaalsContact C-N 3.34Å; S153-L155 PolarHBondContact O-N 2.85Å; S153-S156 PolarHBondContact O-N 3.08Å; S153-E157 WeakPolarHBondContact O-CB 3.45Å; S153-E157 PolarHBondContact O-N 2.86Å; S153-D181 WeakPolarHBondContact CB-OD2 3.38Å; S153-D181 PolarHBondContact OG-OD1 2.82Å; S153-D181 PolarHBondContact OG-OD2 3.37Å
154F90.9Very high85.7Confident0 Ų046.5 Ų46.50%024%0.243CC..Hα-helixtrans-58.8-46.4178.9179.6-106000112.7R25 L28 L29 D135 I136 F150 F151 S156 E157 L158R25-F154 HydrophobicContact CG-CD2 4.18Å; R25-F154 HydrophobicContact CG-CE2 4.22Å; L28-F154 HydrophobicContact CB-CE2 4.25Å; L28-F154 HydrophobicContact CB-CZ 3.86Å; L28-F154 HydrophobicContact CD1-CZ 4Å; L29-F154 HydrophobicContact CD2-CE2 4.3Å; L29-F154 HydrophobicContact CG-CE2 4.4Å; D135-F154 WeakPolarHBondContact O-CB 3.49Å; I136-F154 HydrophobicContact CG1-CD2 4.36Å; I136-F154 HydrophobicContact CG1-CE2 4.4Å; I136-F154 HydrophobicContact CG2-CD1 4.38Å; I136-F154 HydrophobicContact CG2-CE1 4.29Å; I136-F154 HydrophobicContact CG2-CZ 4.42Å; F150-F154 AromaticContact CD1-CD1 3.86Å; F150-F154 HydrophobicContact CD1-CD1 3.86Å; F150-F154 AromaticContact CD1-CE1 3.87Å; F150-F154 HydrophobicContact CD1-CE1 3.87Å; F150-F154 HydrophobicContact CE1-CE1 4.2Å; F151-F154 HydrophobicContact CB-CB 4.26Å; F151-F154 PolarHBondContact O-N 2.85Å; F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.18Å; F154-E157 PolarHBondContact O-N 3.18Å; F154-L158 HydrophobicContact CE1-CD1 3.89Å; F154-L158 HydrophobicContact CE2-CD1 4.35Å; F154-L158 HydrophobicContact CZ-CD1 3.58Å; F154-L158 WeakPolarHBondContact O-CB 3.45Å; F154-L158 PolarHBondContact O-N 2.88Å
155L89.4Confident85.2Confident0 Ų042.5 Ų42.50%023%0.227CC..Hα-helixtrans-66-36.8179.6-67.1177.9000112.3P62 F150 F151 N152 S153 E157 D159 L164 V165 F168 V178P62-L155 HydrophobicContact CG-CD2 3.65Å; F150-L155 HydrophobicContact CB-CD1 3.99Å; F150-L155 HydrophobicContact CB-CD2 3.8Å; F150-L155 HydrophobicContact CB-CG 3.83Å; F150-L155 HydrophobicContact CG-CD2 4.16Å; F151-L155 WeakPolarHBondContact O-CG 3.4Å; F151-L155 PolarHBondContact O-N 3.48Å; F151-L155 VanDerWaalsContact O-N 3.12Å; N152-L155 PolarHBondContact O-N 3.46Å; S153-L155 PolarHBondContact O-N 2.85Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-D159 PolarHBondContact O-N 3.15Å; L155-D159 VanDerWaalsContact O-N 3.13Å; L155-L164 HydrophobicContact CB-CD2 4.3Å; L155-L164 HydrophobicContact CD2-CD2 3.62Å; L155-L164 HydrophobicContact CD2-CG 4.08Å; L155-V165 HydrophobicContact CB-CG2 3.89Å; L155-F168 HydrophobicContact CD1-CD2 3.75Å; L155-F168 HydrophobicContact CD1-CE2 4.03Å; L155-F168 HydrophobicContact CD1-CG 4.26Å; L155-F168 HydrophobicContact CD2-CD2 4.28Å; L155-F168 HydrophobicContact CD2-CE2 3.73Å; L155-F168 HydrophobicContact CD2-CZ 4.27Å; L155-V178 HydrophobicContact CD1-CB 4.46Å; L155-V178 HydrophobicContact CD1-CG1 4.23Å; L155-V178 HydrophobicContact CD1-CG2 3.73Å
156S86.4Confident84.3Confident47 Ų4741 Ų4133%0.32922%0.222SC..Hα-helixtrans-68.5-33.2178.3-570000112.1N152 S153 F154 D159 N160N152-S156 WeakPolarHBondContact O-CB 3.23Å; N152-S156 PolarHBondContact O-N 3.41Å; N152-S156 PolarHBondContact O-OG 2.87Å; S153-S156 PolarHBondContact O-N 3.08Å; F154-S156 VanDerWaalsContact C-N 3.33Å; F154-S156 PolarHBondContact O-N 3.18Å; S156-D159 CarbonylContact O-C 3.24Å; S156-D159 VanDerWaalsContact O-C 3.24Å; S156-N160 WeakPolarHBondContact O-CA 3.4Å; S156-N160 PolarHBondContact O-N 2.9Å; S156-N160 PolarHBondContact O-OD1 3.07Å
157E87.2Confident83.3Confident75 Ų7541 Ų4135%0.3522%0.221SC..Hα-helixtrans-80.2-33.6177.5-172.6-177.1-163.400112.9R25 L29 S153 F154 L155 D159R25-E157 IonicContact CZ-OE1 3.7Å; R25-E157 IonicContact CZ-OE2 3.09Å; R25-E157 IonicContact NE-OE2 2.94Å; R25-E157 PolarHBondContact NE-OE2 2.91Å; R25-E157 IonicContact NH1-OE1 2.86Å; R25-E157 IonicContact NH2-OE1 2.74Å; R25-E157 PolarHBondContact NH2-OE1 3.44Å; R25-E157 IonicContact NH2-OE2 3.02Å; R25-E157 PolarHBondContact NH2-OE2 3.18Å; L29-E157 HydrophobicContact CD1-CG 4.22Å; L29-E157 WeakPolarHBondContact CD1-OE1 3.3Å; L29-E157 HydrophobicContact CD2-CB 4.28Å; L29-E157 HydrophobicContact CD2-CG 3.85Å; S153-E157 WeakPolarHBondContact O-CB 3.45Å; S153-E157 PolarHBondContact O-N 2.86Å; F154-E157 PolarHBondContact O-N 3.18Å; L155-E157 VanDerWaalsContact C-N 3.32Å; E157-D159 VanDerWaalsContact C-N 3.3Å
158L86.6Confident82.4Confident29 Ų2938 Ų3815%0.15221%0.209CC..Hα-helixtrans-69.1-33.5175.7-165.5134.4000111.9L29 F44 F154 L164L29-L158 HydrophobicContact CD2-CB 4.2Å; F44-L158 HydrophobicContact CE1-CD1 3.7Å; F44-L158 HydrophobicContact CE1-CD2 3.96Å; F44-L158 HydrophobicContact CE1-CG 4.4Å; F44-L158 HydrophobicContact CZ-CD1 3.93Å; F154-L158 HydrophobicContact CE1-CD1 3.89Å; F154-L158 HydrophobicContact CE2-CD1 4.35Å; F154-L158 HydrophobicContact CZ-CD1 3.58Å; F154-L158 WeakPolarHBondContact O-CB 3.45Å; F154-L158 PolarHBondContact O-N 2.88Å; L158-L164 HydrophobicContact CB-CD2 4.43Å; L158-L164 HydrophobicContact CD2-CD2 3.68Å
159D81.4Confident81.2Confident30 Ų3043.9 Ų43.916%0.1624%0.236CC..  trans-136.692.9177-178.917.8000110.5L155 S156 E157 T161 G162 L164L155-D159 PolarHBondContact O-N 3.15Å; L155-D159 VanDerWaalsContact O-N 3.13Å; S156-D159 CarbonylContact O-C 3.24Å; S156-D159 VanDerWaalsContact O-C 3.24Å; E157-D159 VanDerWaalsContact C-N 3.3Å; D159-T161 PolarHBondContact O-N 2.81Å; D159-T161 WeakPolarHBondContact OD1-CB 3.25Å; D159-T161 WeakPolarHBondContact OD1-CG2 3.25Å; D159-T161 PolarHBondContact OD1-N 3.1Å; D159-T161 PolarHBondContact OD1-OG1 3.33Å; D159-T161 PolarHBondContact OD2-OG1 3.18Å; D159-G162 PolarHBondContact O-N 3Å; D159-G162 VanDerWaalsContact O-N 3.1Å; D159-L164 HydrophobicContact CB-CB 3.64Å; D159-L164 HydrophobicContact CB-CD2 4.08Å; D159-L164 WeakPolarHBondContact OD2-CB 3.47Å; D159-L164 PolarHBondContact OD2-N 2.83Å
160N76.4Confident79.7Confident148 Ų14849.1 Ų49.179%0.79126%0.263SS*.THydrogen-bonded Turntrans-58.4-11.2178.5-64.8-29.2000113.6S156 G162S156-N160 WeakPolarHBondContact O-CA 3.4Å; S156-N160 PolarHBondContact O-N 2.9Å; S156-N160 PolarHBondContact O-OD1 3.07Å; N160-G162 VanDerWaalsContact C-N 3.29Å
161T76.9Confident78Confident81 Ų8154.4 Ų54.450%0.49728%0.283SS..THydrogen-bonded Turntrans-78.5-13.6178.872.50000113.1D159 R163D159-T161 PolarHBondContact O-N 2.81Å; D159-T161 WeakPolarHBondContact OD1-CB 3.25Å; D159-T161 WeakPolarHBondContact OD1-CG2 3.25Å; D159-T161 PolarHBondContact OD1-N 3.1Å; D159-T161 PolarHBondContact OD1-OG1 3.33Å; D159-T161 PolarHBondContact OD2-OG1 3.18Å; T161-R163 PolarHBondContact O-N 2.83Å; T161-R163 VanDerWaalsContact O-N 3.13Å; T161-R163 WeakPolarHBondContact OG1-CB 3Å; T161-R163 VanDerWaalsContact OG1-CD 3.29Å; T161-R163 WeakPolarHBondContact OG1-CD 3.45Å; T161-R163 WeakPolarHBondContact OG1-CG 3.27Å; T161-R163 PolarHBondContact OG1-N 3.04Å
162G73.9Confident76Confident27 Ų2758 Ų5828%0.27831%0.308SS..SBendtrans70.6-3-174.300000114.4D159 N160 L164 V165 Q166D159-G162 PolarHBondContact O-N 3Å; D159-G162 VanDerWaalsContact O-N 3.1Å; N160-G162 VanDerWaalsContact C-N 3.29Å; G162-L164 VanDerWaalsContact C-N 3.31Å; G162-L164 PolarHBondContact O-N 3.4Å; G162-V165 PolarHBondContact O-N 3.21Å; G162-Q166 PolarHBondContact O-N 3.11Å
163R74.7Confident74Confident80 Ų8060.6 Ų60.630%0.30232%0.318SS..Hα-helixtrans-62.3-42.1179.2-66.6172-177.9178.6-2.8110.5L49 V57 V59 T161 V165 Q166 T167L49-R163 HydrophobicContact CD1-CB 4.12Å; V57-R163 VanDerWaalsContact CG1-NH1 3.28Å; V59-R163 HydrophobicContact CG1-CB 4.39Å; T161-R163 PolarHBondContact O-N 2.83Å; T161-R163 VanDerWaalsContact O-N 3.13Å; T161-R163 WeakPolarHBondContact OG1-CB 3Å; T161-R163 VanDerWaalsContact OG1-CD 3.29Å; T161-R163 WeakPolarHBondContact OG1-CD 3.45Å; T161-R163 WeakPolarHBondContact OG1-CG 3.27Å; T161-R163 PolarHBondContact OG1-N 3.04Å; R163-V165 VanDerWaalsContact C-N 3.35Å; R163-V165 PolarHBondContact O-N 2.96Å; R163-Q166 WeakPolarHBondContact O-CB 3.3Å; R163-Q166 PolarHBondContact O-N 3.21Å; R163-T167 VanDerWaalsContact O-CG2 3.23Å; R163-T167 WeakPolarHBondContact O-CG2 3.05Å; R163-T167 PolarHBondContact O-N 3.06Å
164L77.8Confident72.4Confident1 Ų158.5 Ų58.51%0.00530%0.304CS..Hα-helixtrans-56.7-46.6178.5-167.862.8000112.5R61 P62 L155 L158 D159 G162 Q166 T167 F168R61-L164 HydrophobicContact CB-CD1 4.31Å; R61-L164 HydrophobicContact CG-CD1 4.34Å; P62-L164 HydrophobicContact CG-CD2 4.14Å; L155-L164 HydrophobicContact CB-CD2 4.3Å; L155-L164 HydrophobicContact CD2-CD2 3.62Å; L155-L164 HydrophobicContact CD2-CG 4.08Å; L158-L164 HydrophobicContact CB-CD2 4.43Å; L158-L164 HydrophobicContact CD2-CD2 3.68Å; D159-L164 HydrophobicContact CB-CB 3.64Å; D159-L164 HydrophobicContact CB-CD2 4.08Å; D159-L164 WeakPolarHBondContact OD2-CB 3.47Å; D159-L164 PolarHBondContact OD2-N 2.83Å; G162-L164 VanDerWaalsContact C-N 3.31Å; G162-L164 PolarHBondContact O-N 3.4Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; L164-Q166 PolarHBondContact O-N 3.4Å; L164-T167 WeakPolarHBondContact O-CB 2.99Å; L164-T167 PolarHBondContact O-N 3.07Å; L164-T167 PolarHBondContact O-OG1 3.02Å; L164-F168 HydrophobicContact CD1-CD2 4.44Å; L164-F168 HydrophobicContact CD1-CE2 3.89Å; L164-F168 HydrophobicContact CG-CD2 4.33Å; L164-F168 HydrophobicContact CG-CE2 3.97Å; L164-F168 VanDerWaalsContact O-CD2 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.38Å; L164-F168 PolarHBondContact O-N 3.24Å
165V76.9Confident70.6Confident14 Ų1459.4 Ų59.49%0.08531%0.31CS..Hα-helixtrans-58.6-44.1178.4178.30000111.1N152 L155 G162 R163 T167 F168 Q169N152-V165 VanDerWaalsContact OD1-CG1 3.32Å; N152-V165 WeakPolarHBondContact OD1-CG1 3.5Å; N152-V165 WeakPolarHBondContact OD1-CG2 3.44Å; L155-V165 HydrophobicContact CB-CG2 3.89Å; G162-V165 PolarHBondContact O-N 3.21Å; R163-V165 VanDerWaalsContact C-N 3.35Å; R163-V165 PolarHBondContact O-N 2.96Å; V165-T167 VanDerWaalsContact C-N 3.3Å; V165-T167 PolarHBondContact O-N 3.28Å; V165-F168 PolarHBondContact O-N 3.41Å; V165-Q169 HydrophobicContact CG1-CG 4.43Å; V165-Q169 WeakPolarHBondContact O-CG 3.42Å; V165-Q169 PolarHBondContact O-N 3.38Å; V165-Q169 VanDerWaalsContact O-N 3.08Å
166Q71.5Confident69.2Low116 Ų11659.5 Ų59.554%0.54231%0.31SS..Hα-helixtrans-60-38.7175.8-64.7-179.72.500112G162 R163 L164 F168 Q169 N170G162-Q166 PolarHBondContact O-N 3.11Å; R163-Q166 WeakPolarHBondContact O-CB 3.3Å; R163-Q166 PolarHBondContact O-N 3.21Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; L164-Q166 PolarHBondContact O-N 3.4Å; Q166-F168 PolarHBondContact O-N 3.27Å; Q166-Q169 PolarHBondContact O-N 3.18Å; Q166-N170 WeakPolarHBondContact O-CB 3.39Å; Q166-N170 PolarHBondContact O-N 3.08Å; Q166-N170 PolarHBondContact O-ND2 3.36Å
167T68.8Low68.3Low13 Ų1357.6 Ų57.68%0.0830%0.298CS..Hα-helixtrans-59.5-34.1178.275.40000113.5L49 V59 R163 L164 V165L49-T167 HydrophobicContact CD1-CG2 3.28Å; L49-T167 HydrophobicContact CD2-CG2 3.37Å; L49-T167 HydrophobicContact CG-CG2 3.84Å; V59-T167 HydrophobicContact CG2-CG2 4.31Å; R163-T167 VanDerWaalsContact O-CG2 3.23Å; R163-T167 WeakPolarHBondContact O-CG2 3.05Å; R163-T167 PolarHBondContact O-N 3.06Å; L164-T167 WeakPolarHBondContact O-CB 2.99Å; L164-T167 PolarHBondContact O-N 3.07Å; L164-T167 PolarHBondContact O-OG1 3.02Å; V165-T167 VanDerWaalsContact C-N 3.3Å; V165-T167 PolarHBondContact O-N 3.28Å
168F70.1Confident67.6Low5 Ų556 Ų562%0.02229%0.293CS..Hα-helixtrans-86.3-30.3-179.4-76-90.4000112.1R61 P62 F150 L155 L164 V165 Q166 D176 V178R61-F168 HydrophobicContact CG-CE2 4.01Å; R61-F168 HydrophobicContact CG-CZ 3.83Å; P62-F168 HydrophobicContact CG-CE2 4.32Å; P62-F168 HydrophobicContact CG-CZ 4.16Å; F150-F168 AromaticContact CD2-CE1 3.97Å; F150-F168 HydrophobicContact CD2-CE1 3.97Å; F150-F168 AromaticContact CD2-CZ 3.95Å; F150-F168 HydrophobicContact CD2-CZ 3.95Å; F150-F168 HydrophobicContact CE2-CE1 4.46Å; F150-F168 HydrophobicContact CE2-CZ 4.34Å; L155-F168 HydrophobicContact CD1-CD2 3.75Å; L155-F168 HydrophobicContact CD1-CE2 4.03Å; L155-F168 HydrophobicContact CD1-CG 4.26Å; L155-F168 HydrophobicContact CD2-CD2 4.28Å; L155-F168 HydrophobicContact CD2-CE2 3.73Å; L155-F168 HydrophobicContact CD2-CZ 4.27Å; L164-F168 HydrophobicContact CD1-CD2 4.44Å; L164-F168 HydrophobicContact CD1-CE2 3.89Å; L164-F168 HydrophobicContact CG-CD2 4.33Å; L164-F168 HydrophobicContact CG-CE2 3.97Å; L164-F168 VanDerWaalsContact O-CD2 3.3Å; L164-F168 WeakPolarHBondContact O-CD2 3.38Å; L164-F168 PolarHBondContact O-N 3.24Å; V165-F168 PolarHBondContact O-N 3.41Å; Q166-F168 PolarHBondContact O-N 3.27Å; F168-D176 HydrophobicContact CD1-CB 4.43Å; F168-D176 HydrophobicContact CE1-CB 3.71Å; F168-V178 HydrophobicContact CB-CB 4.45Å; F168-V178 HydrophobicContact CB-CG2 3.11Å; F168-V178 HydrophobicContact CG-CG2 3.96Å
169Q68.1Low67Low124 Ų12455.8 Ų55.858%0.57929%0.293SS*.Hα-helixtrans-70.3-39.3175.3-71.6-179.5-400112.4V165 Q166 R171V165-Q169 HydrophobicContact CG1-CG 4.43Å; V165-Q169 WeakPolarHBondContact O-CG 3.42Å; V165-Q169 PolarHBondContact O-N 3.38Å; V165-Q169 VanDerWaalsContact O-N 3.08Å; Q166-Q169 PolarHBondContact O-N 3.18Å; Q169-R171 PolarHBondContact O-N 3.19Å
170N58.5Low66.5Low117 Ų11759.8 Ų59.863%0.62632%0.319SS*.THydrogen-bonded Turntrans-67.8-1.6-179.5-72-26.7000114.3Q166Q166-N170 WeakPolarHBondContact O-CB 3.39Å; Q166-N170 PolarHBondContact O-N 3.08Å; Q166-N170 PolarHBondContact O-ND2 3.36Å
171R57.3Low65.7Low112 Ų11256.2 Ų56.242%0.42330%0.3SS..  trans-14584.2-176.1-162.5173.8-173.4167.71.5113.7Q169 E173 S174Q169-R171 PolarHBondContact O-N 3.19Å; R171-E173 PolarHBondContact O-N 2.95Å; R171-E173 VanDerWaalsContact O-N 3.14Å; R171-S174 PolarHBondContact O-N 3.24Å; R171-S174 PolarHBondContact O-OG 3.32Å
172P47.9Very low64.5Low90 Ų9061.3 Ų61.358%0.58431%0.31SS*.THydrogen-bonded Turntrans-60.8-25.7175.919.2-29.4000114.2K147K147-P172 PolarHBondContact NZ-O 3.45Å; K147-P172 VanDerWaalsContact NZ-O 3.15Å
173E45.4Very low62.6Low116 Ų11664.3 Ų64.354%0.54233%0.326SS..THydrogen-bonded Turntrans-89.516.5179.4-60.2-167.6-176.800114.8R79 R171 K465R79-E173 VanDerWaalsContact CZ-O 3.27Å; R79-E173 PolarHBondContact NH1-O 3.33Å; R79-E173 PolarHBondContact NH2-O 3.02Å; R171-E173 PolarHBondContact O-N 2.95Å; R171-E173 VanDerWaalsContact O-N 3.14Å; E173-K465 IonicContact OE1-NZ 3.51Å; E173-K465 PolarHBondContact OE1-NZ 3.11Å
174S54.1Low60.6Low4 Ų466 Ų663%0.02835%0.346CS..SBendtrans-74.5144.4163.141.70000111.5R61 K147 R171 D176R61-S174 PolarHBondContact NH2-OG 3.34Å; K147-S174 VanDerWaalsContact CE-O 3.25Å; K147-S174 WeakPolarHBondContact CE-O 3.41Å; K147-S174 PolarHBondContact NZ-O 3.43Å; R171-S174 PolarHBondContact O-N 3.24Å; R171-S174 PolarHBondContact O-OG 3.32Å; S174-D176 VanDerWaalsContact CB-O 3.25Å; S174-D176 WeakPolarHBondContact CB-O 3.41Å; S174-D176 PolarHBondContact O-N 2.89Å; S174-D176 PolarHBondContact OG-O 2.89Å
175S52.2Low58.4Low19 Ų1973.7 Ų73.713%0.13339%0.386CS..SBendtrans-63.4-5.416953.40000111.8Y81 K147 F148Y81-S175 VanDerWaalsContact CE2-OG 3.24Å; Y81-S175 WeakPolarHBondContact CE2-OG 3.38Å; Y81-S175 PolarHBondContact OH-OG 3.29Å; K147-S175 CarbonylContact C-O 3.46Å; K147-S175 WeakPolarHBondContact CA-O 3.32Å; K147-S175 WeakPolarHBondContact CG-O 3.45Å; F148-S175 PolarHBondContact N-O 2.87Å
176D61.4Low56Low2 Ų277.2 Ų77.21%0.01141%0.411CS..EExtended strand (participates in β ladder)trans-126.2134.3170.5-45.7-57.8000109.7Y81 F148 F150 F168 S174Y81-D176 WeakPolarHBondContact CE2-OD2 3.21Å; Y81-D176 PolarHBondContact OH-OD2 3.19Å; F148-D176 CarbonylContact O-C 3.58Å; F148-D176 WeakPolarHBondContact O-CA 3.37Å; F148-D176 VanDerWaalsContact O-CB 3.3Å; F148-D176 WeakPolarHBondContact O-CB 3.47Å; F150-D176 HydrophobicContact CD2-CB 4.44Å; F150-D176 HydrophobicContact CE2-CB 4.23Å; F168-D176 HydrophobicContact CD1-CB 4.43Å; F168-D176 HydrophobicContact CE1-CB 3.71Å; S174-D176 VanDerWaalsContact CB-O 3.25Å; S174-D176 WeakPolarHBondContact CB-O 3.41Å; S174-D176 PolarHBondContact O-N 2.89Å; S174-D176 PolarHBondContact OG-O 2.89Å
177G67.6Low53.8Low6 Ų678.6 Ų78.66%0.06242%0.422CS..EExtended strand (participates in β ladder)trans-125.2168.4-177.900000112.8F148 C149 F150F148-G177 PolarHBondContact O-N 3.41Å; F148-G177 VanDerWaalsContact O-N 3.08Å; C149-G177 CarbonylContact C-O 3.53Å; C149-G177 WeakPolarHBondContact CA-O 3.4Å; F150-G177 PolarHBondContact N-O 2.77Å
178V72.5Confident51.9Low43 Ų4390 Ų9026%0.26146%0.464SS..EExtended strand (participates in β ladder)trans-88.1139.9162.2-167.50000108.4F150 N152 L155 F168F150-V178 CarbonylContact O-C 3.4Å; F150-V178 WeakPolarHBondContact O-CA 3.49Å; N152-V178 HydrophobicContact CB-CG1 3.94Å; L155-V178 HydrophobicContact CD1-CB 4.46Å; L155-V178 HydrophobicContact CD1-CG1 4.23Å; L155-V178 HydrophobicContact CD1-CG2 3.73Å; F168-V178 HydrophobicContact CB-CB 4.45Å; F168-V178 HydrophobicContact CB-CG2 3.11Å; F168-V178 HydrophobicContact CG-CG2 3.96Å
179T72.7Confident49.9Very low23 Ų2394.5 Ų94.514%0.14150%0.496CS..EExtended strand (participates in β ladder)trans-126.3151.5165.8-1740000109.1K138 C149 F150 F151 N152K138-T179 HydrophobicContact CD-CG2 4.06Å; K138-T179 WeakPolarHBondContact CE-OG1 3.38Å; K138-T179 HydrophobicContact CG-CG2 4.36Å; K138-T179 PolarHBondContact NZ-OG1 2.59Å; C149-T179 HydrophobicContact CB-CG2 3.91Å; F150-T179 PolarHBondContact O-N 2.8Å; F151-T179 HydrophobicContact CD1-CG2 3.51Å; F151-T179 HydrophobicContact CE1-CG2 3.63Å; N152-T179 PolarHBondContact N-O 2.64Å
180T71.7Confident48.1Very low115 Ų11598 Ų9871%0.70651%0.512SS*.  trans-65.7144168.154.50000109.7R182T180-R182 PolarHBondContact O-N 3.08Å
181D59.8Low46.5Very low73 Ų7396.1 Ų96.139%0.3952%0.52SS..  trans-59.5126173.8-57.3-0.6000107.4F151 N152 S153 S183F151-D181 WeakPolarHBondContact CB-OD1 3.07Å; N152-D181 PolarHBondContact N-OD1 2.85Å; S153-D181 WeakPolarHBondContact CB-OD2 3.38Å; S153-D181 PolarHBondContact OG-OD1 2.82Å; S153-D181 PolarHBondContact OG-OD2 3.37Å; D181-S183 PolarHBondContact O-N 2.9Å; D181-S183 VanDerWaalsContact O-N 3.14Å
182R50.6Low45Very low187 Ų18795.9 Ų95.971%0.70654%0.535SS*.  trans-72.8110.3169.4-172.4178.6-174.9179.4-1.1104.8T180 V184T180-R182 PolarHBondContact O-N 3.08Å; R182-V184 PolarHBondContact O-N 2.83Å
183S33.9Very low43.9Very low90 Ų9098.8 Ų98.863%0.62954%0.544SS*.  trans-50.7106.7163.851.70000107.3D181 L185D181-S183 PolarHBondContact O-N 2.9Å; D181-S183 VanDerWaalsContact O-N 3.14Å; S183-L185 PolarHBondContact O-N 2.78Å; S183-L185 VanDerWaalsContact O-N 3.07Å
184V34.5Very low42.9Very low117 Ų11799.8 Ų99.871%0.70955%0.553SS**  trans-51.8116.2166.51760000105.4R182 S186R182-V184 PolarHBondContact O-N 2.83Å; V184-S186 VanDerWaalsContact C-N 3.28Å; V184-S186 PolarHBondContact O-N 3.02Å
185L31.1Very low41.6Very low161 Ų161105 Ų10584%0.84359%0.59SS**  trans4.770.7169.2-61.6167.8000114.5S183 D187S183-L185 PolarHBondContact O-N 2.78Å; S183-L185 VanDerWaalsContact O-N 3.07Å; L185-D187 PolarHBondContact O-N 3.23Å; L185-D187 VanDerWaalsContact O-N 3.13Å
186S26.5Very low40.5Very low89 Ų89110.7 Ų110.762%0.62262%0.624SS**  trans-79.9101.5169.356.20000106.5V184 R188V184-S186 VanDerWaalsContact C-N 3.28Å; V184-S186 PolarHBondContact O-N 3.02Å; S186-R188 PolarHBondContact O-N 3.03Å; S186-R188 VanDerWaalsContact O-N 3.14Å
187D25.8Very low38.7Very low145 Ų145120.1 Ų120.178%0.77566%0.664SS**  trans20.586.2149.7-63.5-39.5000114.5L185 S189L185-D187 PolarHBondContact O-N 3.23Å; L185-D187 VanDerWaalsContact O-N 3.13Å; D187-S189 PolarHBondContact O-N 2.98Å
188R28.7Very low36.7Very low253 Ų253129 Ų12996%0.95570%0.701SS**  trans-70.775.6145.3-79.6-171.7173.5-172-2.5107.3S186S186-R188 PolarHBondContact O-N 3.03Å; S186-R188 VanDerWaalsContact O-N 3.14Å
189S27.7Very low34.4Very low98 Ų98139 Ų13969%0.68573%0.734SS**  trans-46.7137.7159.548.60000109.2D187 G191D187-S189 PolarHBondContact O-N 2.98Å; S189-G191 PolarHBondContact O-N 3.33Å
190H29.9Very low32Very low199 Ų199145.7 Ų145.792%0.92177%0.769SS**  trans-48.198.7-176.8-75.4-95.7000112.8
191G25.7Very low29.8Very low76 Ų76144 Ų14478%0.78477%0.766SS**  trans-104.574.8168.900000110.9S189S189-G191 PolarHBondContact O-N 3.33Å
192S25.7Very low28Very low108 Ų108146.3 Ų146.376%0.75578%0.783SS**  trans28.3107.8153.9-141.70000119N194S192-N194 PolarHBondContact O-N 3.37Å
193I24.1Very low26.9Very low151 Ų151145.6 Ų145.677%0.77479%0.792SS**  trans-51.8117.2144.9-63.4165.3000107.6
194N24.5Very low26.5Very low137 Ų137148.4 Ų148.473%0.73380%0.799SS**  trans176.6140.8133.2-88.8-30.5000112.6S192S192-N194 PolarHBondContact O-N 3.37Å
195S26.6Very low25.9Very low113 Ų113151.4 Ų151.479%0.7981%0.806SS**  trans76.5108.8173.2-48.80000112.5
196V30.4Very low25.9Very low139 Ų139151.7 Ų151.784%0.84281%0.808SS**  -147.5108.363.5175.30000110
197K22.8Very low25.9Very low199 Ų199156.6 Ų156.687%0.86582%0.818SS**  trans-80.8149.5153.8-82.6178.5175.8175.70108.3
198K25Very low26.2Very low194 Ų194154.9 Ų154.984%0.84382%0.815SS**  trans85.8102.9170.3-58.2179.3176.7179.20115.9
199R25.4Very low26.3Very low251 Ų251148.7 Ų148.795%0.94781%0.81SS**  -163.5123.593.9-119.3176.3-173.4-1801.7110.5
200L20.8Very low25.9Very low165 Ų165150.3 Ų150.386%0.86482%0.816SS**  trans-97.9125.3168.6-173.774.7000105.5
201A26Very low25.6Very low80 Ų80146.1 Ų146.166%0.66181%0.81SS**  trans-163.998.5159.900000105.3
202T21.6Very low26Very low121 Ų121148.4 Ų148.474%0.74281%0.811SS**  41.893.385.563.80000112.3
203I29.2Very low25.7Very low172 Ų172151 Ų15188%0.88281%0.813SS**  trans-130.4127.9150.9-63.2-178.9000106.2
204D25Very low26.1Very low148 Ų148149.2 Ų149.279%0.79181%0.811SS**  trans-67.7156.7-168.7-74.6-63.9000114.8
205E22.1Very low26.2Very low180 Ų180148.2 Ų148.284%0.84181%0.812SS**  trans-44.6130.9157-70.3-100.3145.300112.2
206D29.6Very low26.3Very low167 Ų167151.3 Ų151.389%0.89382%0.819SS**  trans-136.8140.2150.8-115.5-27.7000111.7
207K26.7Very low26.3Very low193 Ų193149.3 Ų149.384%0.83981%0.811SS**  trans-72.3169.7-162.9-115.2-178.6165.1171.20114.6
208P32.8Very low26.6Very low109 Ų109148.9 Ų148.971%0.70881%0.812SS**  trans-92.1146.4-165.337.1-33.1000113.5
209S29.8Very low26.7Very low122 Ų122147.8 Ų147.885%0.85381%0.807SS**  trans-104110.1164.944.50000110.6
210T20.5Very low26.6Very low132 Ų132141.5 Ų141.581%0.8180%0.796SS**  trans-77.1126168.7-52.90000110.6
211S24Very low26.8Very low112 Ų112143.7 Ų143.778%0.78380%0.795SS**  trans-172.5157.3148.3-0.30000110.8
212P32.9Very low26.8Very low124 Ų124147.9 Ų147.981%0.80580%0.801SS**  -116.9170.7-123.236.7-24000116.8
213M20.5Very low27Very low163 Ų163151.4 Ų151.480%0.80381%0.806SS**  trans-31.9145.3170.8-86.4169.163.200116.8
214P31.5Very low26.8Very low113 Ų113152.8 Ų152.873%0.73481%0.806SS**  trans-104.7142.5138.833.2-23000111.5
215P27.7Very low26.9Very low116 Ų116153.9 Ų153.975%0.75380%0.803SS**  trans-83.4135179.832-31.3000111.9
216L28.1Very low27.2Very low178 Ų178154.4 Ų154.493%0.93281%0.806SS**  trans-89.8111.6169.9-81.1163.7000109.4
217S30.7Very low27Very low96 Ų96152.3 Ų152.367%0.67180%0.795SS**  trans-66.3133.3177.154.50000112.9K219S217-K219 PolarHBondContact O-N 3.27Å
218E27.9Very low27.1Very low190 Ų190151.3 Ų151.389%0.88880%0.799SS**  trans-60116.8168.5-71.3167.3151.500111.1T220E218-T220 PolarHBondContact O-N 3.37Å
219K27.8Very low26.7Very low172 Ų172154.2 Ų154.275%0.74880%0.803SS**  trans-91.595.2169.7-74.2-177.9178.9176.90109.3S217 Y221S217-K219 PolarHBondContact O-N 3.27Å; K219-Y221 HydrophobicContact CB-CE2 4.45Å; K219-Y221 PolarHBondContact O-N 2.89Å; K219-Y221 VanDerWaalsContact O-N 3.15Å
220T23.4Very low26.5Very low118 Ų118153.7 Ų153.772%0.72480%0.799SS**  trans-64.6103.7166.6-570000109.7E218 Q222E218-T220 PolarHBondContact O-N 3.37Å; T220-Q222 HydrophobicContact CG2-CG 4.12Å; T220-Q222 PolarHBondContact O-N 3.31Å
221Y25.9Very low26.7Very low212 Ų212152.4 Ų152.483%0.83180%0.795SS**  trans-78.498.7168.8-90-95.4000109.5K219K219-Y221 HydrophobicContact CB-CE2 4.45Å; K219-Y221 PolarHBondContact O-N 2.89Å; K219-Y221 VanDerWaalsContact O-N 3.15Å
222Q25.3Very low26.9Very low168 Ų168153.9 Ų153.979%0.78580%0.8SS**  trans-81.4121.2167.8-72.8-173.6-13.300110.3T220 K224T220-Q222 HydrophobicContact CG2-CG 4.12Å; T220-Q222 PolarHBondContact O-N 3.31Å; Q222-K224 PolarHBondContact O-N 2.84Å
223F24.8Very low26.5Very low195 Ų195153.4 Ų153.486%0.85580%0.799SS**  trans-57.1118.2162.5-98.3-98.8000110.2
224K26.6Very low27.1Very low201 Ų201153.3 Ų153.387%0.87480%0.802SS**  trans-95.495.6157.7-83.5-178174.6179.30108.3Q222Q222-K224 PolarHBondContact O-N 2.84Å
225K26.6Very low26.8Very low170 Ų170156.9 Ų156.974%0.73981%0.806SS**  trans-79.2116.7155.9-80.4-176.2173.9-175.70107D227K225-D227 PolarHBondContact O-N 2.94Å
226Q28.2Very low26.8Very low191 Ų191157.5 Ų157.589%0.89381%0.808SS**  trans-86.595160.7-78.6177.7-31.600106.4
227D25.8Very low26.8Very low124 Ų124153.8 Ų153.866%0.66380%0.797SS**  trans-102.9122.8152-75.8-49.2000104.7K225K225-D227 PolarHBondContact O-N 2.94Å
228D27.8Very low26.4Very low172 Ų172160.3 Ų160.392%0.9281%0.807SS**  trans-141.6126.5148.4-105.5-27.2000110.7
229Q24.6Very low26.5Very low170 Ų170159.1 Ų159.179%0.79480%0.804SS**  trans-92.2172.6-176.4-62.6173.81.400110.4
230S25.7Very low26.6Very low110 Ų110157.4 Ų157.477%0.76980%0.803SS**  trans122.3143.2144.677.30000112.7
231S25.4Very low26.8Very low105 Ų105159.2 Ų159.273%0.73481%0.809SS**  cis-176.8145.1-21.642.70000105.4
232T27.6Very low27.4Very low143 Ų143153.8 Ų153.888%0.87780%0.8SS**  trans-140104.9156.546.50000109.6
233S25.1Very low27.6Very low114 Ų114152.1 Ų152.180%0.79780%0.796SS**  trans6125.6147.7-53.10000120.2
234D33.3Very low27.6Very low161 Ų161150 Ų15086%0.86179%0.792SS**  -151.7152.4124.1-105.1-31.5000111.7
235K25Very low27.7Very low188 Ų188147 Ų14782%0.81779%0.79SS**  trans-77.4152.9-156.5-62.9151.7170.4170.20115.1
236V26.3Very low27.5Very low130 Ų130149.2 Ų149.279%0.78879%0.794SS**  156.2129.7107.8169.50000112.6
237S28.6Very low27.3Very low100 Ų100145.3 Ų145.370%0.69979%0.786SS**  trans58.5104.3161.866.90000119.7
238R23.2Very low27.3Very low233 Ų233145.7 Ų145.788%0.87979%0.788SS**  69108.277.1-77.5-168.6175.5154.6-0.5114.5
239I30.6Very low27.2Very low164 Ų164142.5 Ų142.584%0.84178%0.775SS**  trans-158.1103.8130.7-83.1142.2000106.9
240D29.3Very low27.2Very low136 Ų136141 Ų14173%0.72777%0.772SS**  trans22.8112.9144.9-49-42.4000122.8
241D26.5Very low27.4Very low157 Ų157140.6 Ų140.684%0.8477%0.77SS**  36.7161.9114.4-102.3-21.8000122.2
242P38.2Very low27.5Very low98 Ų98142.9 Ų142.964%0.63677%0.773SS**  cis-143.4-170.7-0.134.2-9.7000116.7
243D30.5Very low27.3Very low133 Ų133142 Ų14271%0.71177%0.767SS**  trans111.190.7158.7-64.4-19.2000116.4
244I25.6Very low27.4Very low149 Ų149141.6 Ų141.676%0.76477%0.765SS**  75.9106.481-69.3171.3000112.9
245V28.4Very low27.2Very low138 Ų138140.2 Ų140.284%0.83677%0.767SS**  -177.7130.6107.1165.40000109.5
246R21.8Very low27.1Very low218 Ų218138.9 Ų138.982%0.82377%0.766SS**  trans-72.9159.3176.3-75.6167.8155167.5-6.6114.2
247C23.8Very low27.1Very low108 Ų108141.5 Ų141.573%0.7377%0.77SS**  165111.6112.6-87.90000108.6
248N25.4Very low26.8Very low132 Ų132143.3 Ų143.371%0.70678%0.777SS**  75.8134.590.6-764.6000112.1
249T25.2Very low26.9Very low105 Ų105137.9 Ų137.964%0.64478%0.775SS**  cis-176.6165.26190000107.9
250D25.5Very low26.5Very low138 Ų138141 Ų14174%0.73878%0.776SS**  trans87.5103.9145.9-60.7-22000122.4
251S29.3Very low26.1Very low103 Ų103141.6 Ų141.672%0.7278%0.776SS**  123.9130.9102.2-87.70000119.1
252L28.5Very low26.1Very low152 Ų152141.3 Ų141.380%0.79677%0.769SS**  trans94.978.4148.3-70.2156.4000120.5
253T24Very low25.3Very low124 Ų124147.7 Ų147.776%0.76178%0.781SS**  26123.6108-14.70000120.2
254S26.6Very low25.1Very low107 Ų107148.3 Ų148.375%0.74878%0.784SS**  trans128.2108.2133.274.40000115.6
255C29.1Very low25Very low132 Ų132148.8 Ų148.889%0.89279%0.788SS**  175.4112119.8-90.20000110
256I23.6Very low24.9Very low159 Ų159150.6 Ų150.682%0.81579%0.788SS**  trans-89.1129.6168.7-69.1164.4000106.9
257Q25.9Very low24.9Very low186 Ų186147 Ų14787%0.86979%0.79SS**  trans-163.3104.4139.4-116.9167.3-17.300111.7
258T22.5Very low25.1Very low137 Ų137147 Ų14784%0.8479%0.791SS**  trans-79.9126.216036.10000108.8
259S25.4Very low25.1Very low119 Ų119145 Ų14583%0.83279%0.793SS**  trans-116.5122.3165.4-67.90000109.6
260R21.4Very low24.9Very low230 Ų230146.7 Ų146.787%0.86880%0.802SS**  trans-88.4165.9176.9-159.2179.8-169.8179.52.6108.3
261M21.8Very low25.1Very low148 Ų148149.4 Ų149.473%0.72981%0.811SS**  trans90134.9166-52.1-11480.200113.7
262H25.9Very low24.8Very low151 Ų151152.8 Ų152.870%0.69982%0.815SS**  cis-158.7152.327.4-128.641.8000111.3
263R21.2Very low24.7Very low233 Ų233153.7 Ų153.788%0.87982%0.817SS**  trans-72.3133.2163.2-84.8174.5166.7173-5.1108.7
264N26.7Very low25.5Very low145 Ų145152.3 Ų152.378%0.77581%0.811SS**  trans-123.4108.7156.4-84.9-11.2000108.9
265N23.2Very low25.4Very low159 Ų159156.8 Ų156.885%0.8582%0.819SS**  trans-80.4116.7156.2-89.2-9.3000106.8
266Q27Very low25.4Very low177 Ų177156.9 Ų156.983%0.82782%0.816SS**  trans-132.7111154.3-80.4-171.9-5.600108.4
267V20.7Very low25.3Very low143 Ų143154 Ų15487%0.86782%0.816SS**  trans-76.8121.7162.61730000105.8
268S28.8Very low25.6Very low107 Ų107150.7 Ų150.775%0.74881%0.813SS**  trans-146.7116.3164.7-770000109.4
269A24Very low25.7Very low90 Ų90152.8 Ų152.874%0.74481%0.814SS**  trans32.9112.1147.800000119E271A269-E271 PolarHBondContact O-N 2.81Å
270V22.6Very low25.6Very low140 Ų140156.2 Ų156.285%0.84882%0.816SS**  trans-11.3108.2137.4-172.20000113.6
271E29.5Very low25.8Very low196 Ų196153.4 Ų153.492%0.91681%0.813SS**  trans-111.4115.1154.2-119.4-178.8175.300106.9A269A269-E271 PolarHBondContact O-N 2.81Å
272E22.3Very low25.8Very low173 Ų173151.1 Ų151.181%0.80881%0.811SS**  trans-94.8133.4-177.6-178.9-179.5-153.900108.5
273M26.3Very low25.8Very low171 Ų171152.5 Ų152.584%0.84282%0.816SS**  trans166.7147.9157.2-91.9-99.1111.500111.2
274P40.4Very low26.2Very low96 Ų96146.5 Ų146.562%0.62381%0.807SS**  cis-130158.2-4930.6-13.2000113.4T276P274-T276 PolarHBondContact O-N 3.42Å
275E24.5Very low26.1Very low200 Ų200148.9 Ų148.994%0.93581%0.814SS**  trans-62.1118.7166.9-76.2175.6140.200111.5A277E275-A277 PolarHBondContact O-N 2.86Å
276T29Very low26.2Very low134 Ų134150.1 Ų150.182%0.82281%0.811SS**  trans-81.1108.1164.343.90000109.6P274 S278P274-T276 PolarHBondContact O-N 3.42Å; T276-S278 PolarHBondContact O-N 2.95Å
277A23Very low26Very low98 Ų98150.1 Ų150.181%0.8181%0.811SS**  trans-54.9111.8167.200000111.1E275E275-A277 PolarHBondContact O-N 2.86Å
278S30.9Very low26.3Very low117 Ų117152.3 Ų152.382%0.81881%0.81SS**  trans-102.8110.3160.359.20000108.2T276T276-S278 PolarHBondContact O-N 2.95Å
279Q24.7Very low26.2Very low181 Ų181154.1 Ų154.185%0.84681%0.811SS**  trans-57.1137.6-176.6-66.6167.8-2700111.9E281Q279-E281 PolarHBondContact O-N 3.42Å
280H24.3Very low26.3Very low192 Ų192158.1 Ų158.189%0.88981%0.814SS**  trans-56.8108.3161.4-97.2-103.5000109.5
281E25.9Very low26.6Very low170 Ų170158.7 Ų158.779%0.79481%0.813SS**  trans-94.6100.8155.8-80.4-159.2150.300109Q279Q279-E281 PolarHBondContact O-N 3.42Å
282S21Very low26.6Very low100 Ų100154.6 Ų154.670%0.69980%0.803SS**  trans-74.1123.7163.748.70000110.4
283F25.3Very low26.8Very low180 Ų180152.5 Ų152.579%0.78980%0.802SS**  trans-147.4150162-87.6-70.8000109.3
284P29.9Very low27Very low107 Ų107151.6 Ų151.670%0.69580%0.799SS**  -108.6149-113.731.7-21.2000113.6K286P284-K286 PolarHBondContact O-N 2.88Å; P284-K286 VanDerWaalsContact O-N 3.1Å
285E24Very low26.4Very low196 Ų196151.7 Ų151.792%0.91680%0.802SS**  trans-57.7105.4165.9-64.8175.5161.300109.4
286K26.5Very low26.5Very low184 Ų184147.6 Ų147.680%0.880%0.795SS**  trans-102.1105158.7-92.1-176.4175.8179.20107.7P284 F288P284-K286 PolarHBondContact O-N 2.88Å; P284-K286 VanDerWaalsContact O-N 3.1Å; K286-F288 PolarHBondContact O-N 3.35Å; K286-F288 VanDerWaalsContact O-N 3.12Å
287E23.1Very low26.5Very low177 Ų177146.7 Ų146.783%0.82779%0.792SS**  trans-51.5108.9164.3-65.9178144.400109.7
288F26.1Very low26.9Very low190 Ų190147.7 Ų147.783%0.83379%0.79SS**  trans-119.882.6151.8-93.8-83.6000106.8K286 E290K286-F288 PolarHBondContact O-N 3.35Å; K286-F288 VanDerWaalsContact O-N 3.12Å; F288-E290 PolarHBondContact O-N 2.76Å
289N26.3Very low26.7Very low145 Ų145147.7 Ų147.778%0.77579%0.79SS**  trans-71.6100.3158.1-105.3-25.8000107
290E27.8Very low26.8Very low173 Ų173145.5 Ų145.581%0.80879%0.789SS**  trans-162.486.5156.8-108.1169.4-140.200107.9F288 P292F288-E290 PolarHBondContact O-N 2.76Å; E290-P292 VanDerWaalsContact O-CD 3.3Å; E290-P292 WeakPolarHBondContact O-CD 3.38Å
291N27Very low26.9Very low153 Ų153143.3 Ų143.382%0.81879%0.789SS**  trans-71.6116.6165.9-79.4-44000108.5T293N291-T293 PolarHBondContact O-N 3.32Å
292P30.7Very low27.1Very low109 Ų109139 Ų13971%0.70878%0.782SS**  trans-76.3110.1166.1-1.920.4000107.6E290 I294E290-P292 VanDerWaalsContact O-CD 3.3Å; E290-P292 WeakPolarHBondContact O-CD 3.38Å; P292-I294 VanDerWaalsContact C-N 3.31Å; P292-I294 PolarHBondContact O-N 3.39Å
293T25.9Very low27.5Very low129 Ų129140.7 Ų140.779%0.79178%0.784SS**  trans-5992.3163.9-53.10000109N291N291-T293 PolarHBondContact O-N 3.32Å
294I31Very low27.7Very low153 Ų153139.6 Ų139.679%0.78579%0.786SS**  trans-92.6100.9163.2-61.8176.9000106.6P292 S296P292-I294 VanDerWaalsContact C-N 3.31Å; P292-I294 PolarHBondContact O-N 3.39Å; I294-S296 PolarHBondContact O-N 3.5Å
295S27.9Very low27.7Very low98 Ų98140.1 Ų140.169%0.68579%0.787SS**PPolyproline II helixtrans-53.4116172.5-54.80000110.9
296S26.2Very low27.9Very low113 Ų113139.8 Ų139.879%0.7979%0.786SS**PPolyproline II helixtrans-65.5126.7167.9-61.20000110.1I294I294-S296 PolarHBondContact O-N 3.5Å
297P30.2Very low28Very low115 Ų115138.4 Ų138.475%0.74779%0.786SS**PPolyproline II helixtrans-75.3156.8172.128.3-26.4000111
298P30Very low28.4Very low119 Ų119137.9 Ų137.977%0.77379%0.789SS**PPolyproline II helixtrans-77.7139.8-161.429.7-33.4000113.4T300P298-T300 PolarHBondContact O-N 2.6Å; P298-T300 VanDerWaalsContact O-N 3.14Å
299S26.3Very low28.7Very low118 Ų118138 Ų13883%0.82579%0.793SS**  trans-64.1100.4170.3-56.80000111.2
300T28.2Very low29Very low135 Ų135140.1 Ų140.183%0.82880%0.795SS**  trans-86.8110.7156.433.30000109.3P298 A302P298-T300 PolarHBondContact O-N 2.6Å; P298-T300 VanDerWaalsContact O-N 3.14Å; T300-A302 PolarHBondContact O-N 2.81Å
301V25.9Very low29.2Very low146 Ų146134.8 Ų134.889%0.88579%0.786SS**  trans-63.4105.3170.2-177.90000108.1
302A30.5Very low29.5Very low78 Ų78138.1 Ų138.165%0.64579%0.789SS**  trans-130.7111.3164.400000108T300 N304T300-A302 PolarHBondContact O-N 2.81Å; A302-N304 PolarHBondContact O-N 2.83Å
303D27.9Very low29.5Very low137 Ų137141 Ų14173%0.73380%0.796SS**  trans-47.2112175.7-135.8-28000111T305D303-T305 PolarHBondContact OD1-OG1 3.45Å
304N30.6Very low29.9Very low156 Ų156140.2 Ų140.283%0.83479%0.792SS**  trans-126.162.9167.6-81.5-48.7000108.3A302 E306A302-N304 PolarHBondContact O-N 2.83Å; N304-E306 PolarHBondContact O-N 2.9Å; N304-E306 VanDerWaalsContact O-N 3.13Å
305T29.6Very low29.9Very low119 Ų119138.1 Ų138.173%0.7379%0.788SS**  trans-81.767.7170.2-51.60000109.1D303D303-T305 PolarHBondContact OD1-OG1 3.45Å
306E28.5Very low30.1Very low188 Ų188141.1 Ų141.188%0.87980%0.797SS**  trans-165.160.4172.4-121.1176.2-146.200113.6N304N304-E306 PolarHBondContact O-N 2.9Å; N304-E306 VanDerWaalsContact O-N 3.13Å
307L29.5Very low30.6Very low155 Ų155143 Ų14381%0.81280%0.797SS**  trans-15254.8167.6-105.5170.5000111.5
308N29.6Very low30.9Very low166 Ų166142.7 Ų142.789%0.88880%0.795SS**  trans-141.449.2168.6-129.1-8.6000112.7
309Q33.2Very low31.1Very low194 Ų194145.7 Ų145.791%0.90780%0.796SS**  trans-142.171.7164-69.6-1728.700110G311Q309-G311 VanDerWaalsContact C-N 3.29Å; Q309-G311 PolarHBondContact O-N 3.29Å
310K32.4Very low31.3Very low189 Ų189147.6 Ų147.682%0.82280%0.796SS**  trans-89.974.3159.6-79.9-179.4178.2171.50108.3
311G31.6Very low31.4Very low61 Ų61151.1 Ų151.163%0.62980%0.795SS**  trans-63.5132.8164.600000109.5Q309 I313Q309-G311 VanDerWaalsContact C-N 3.29Å; Q309-G311 PolarHBondContact O-N 3.29Å; G311-I313 PolarHBondContact O-N 3.48Å
312Y33.8Very low31.7Very low223 Ų223150.8 Ų150.888%0.87579%0.794SS**  trans-59.8117.5173.5-71.2-96000108.9T314Y312-T314 VanDerWaalsContact C-N 3.3Å; Y312-T314 PolarHBondContact O-N 3.42Å
313I30.1Very low31.6Very low168 Ų168152 Ų15286%0.86279%0.793SS**  trans-71.991.7170.6-57.3173.3000106.7G311G311-I313 PolarHBondContact O-N 3.48Å
314T34.2Very low31.6Very low113 Ų113152 Ų15269%0.69379%0.794SS**  trans-74130.2165.3-49.80000107.6Y312Y312-T314 VanDerWaalsContact C-N 3.3Å; Y312-T314 PolarHBondContact O-N 3.42Å
315P32.2Very low31.6Very low109 Ų109152.1 Ų152.171%0.70879%0.792SS**  trans-63.1141.418024.5-32.2000111.2L317P315-L317 PolarHBondContact O-N 3.07Å; P315-L317 VanDerWaalsContact O-N 3.11Å
316D32.5Very low31.4Very low162 Ų162153.3 Ų153.387%0.86679%0.79SS**  trans-52.6113.7-177-94.5-32.1000111.7
317L36.3Very low31.2Very low151 Ų151151.2 Ų151.279%0.79178%0.78SS**  trans-72.3138.1171.1-147.675000108.5P315 K319P315-L317 PolarHBondContact O-N 3.07Å; P315-L317 VanDerWaalsContact O-N 3.11Å; L317-K319 PolarHBondContact O-N 2.72Å; L317-K319 VanDerWaalsContact O-N 3.09Å
318P36.5Very low30.9Very low110 Ų110153.4 Ų153.471%0.71478%0.779SS**  trans-59.8119179.3-20.330.9000110.6L320P318-L320 PolarHBondContact O-N 3.3Å
319K33.8Very low30.8Very low181 Ų181150.6 Ų150.679%0.78777%0.767SS**  trans-63.1104.4174.1-68177.5-178.2175.90108.4L317 Y321L317-K319 PolarHBondContact O-N 2.72Å; L317-K319 VanDerWaalsContact O-N 3.09Å; K319-Y321 PolarHBondContact O-N 3.46Å
320L30.9Very low30.7Very low159 Ų159149.7 Ų149.783%0.83276%0.761SS**  trans-70.8108.2166.4-71.5171.1000107.2P318 T322P318-L320 PolarHBondContact O-N 3.3Å; L320-T322 PolarHBondContact O-N 2.94Å; L320-T322 VanDerWaalsContact O-N 3.1Å
321Y29.6Very low30.3Very low208 Ų208149.5 Ų149.582%0.81676%0.763SS**  trans-57.4111.2170.5-72.6-92000108.9K319K319-Y321 PolarHBondContact O-N 3.46Å
322T32.8Very low30.1Very low139 Ų139151.8 Ų151.885%0.85377%0.769SS**  trans-99.188.615854.50000106.6L320L320-T322 PolarHBondContact O-N 2.94Å; L320-T322 VanDerWaalsContact O-N 3.1Å
323T28.3Very low29.9Very low103 Ų103146.1 Ų146.163%0.63276%0.762SS**  trans-71.2138.4164.439.70000109.5
324D27.4Very low29.7Very low138 Ų138147.5 Ų147.574%0.73876%0.762SS**  trans72.8106.3152.7-48.9-30.6000118.3
325I31Very low29.4Very low158 Ų158148.6 Ų148.681%0.8177%0.768SS**  -177.886.3123-83.9151.6000103.2
326E25.5Very low29Very low145 Ų145148.5 Ų148.568%0.67877%0.765SS**  73.3106.295.7-77.2-171.1152.600113
327Q23.3Very low28.9Very low143 Ų143146.1 Ų146.167%0.66876%0.761SS**  84.7120.7121.7-71.5-171.5600119.3
328Y24Very low28.4Very low201 Ų201146.5 Ų146.579%0.78876%0.759SS**  trans82116.2133.7-88.5-112.9000117
329V27.3Very low27.8Very low107 Ų107147.8 Ų147.865%0.64877%0.769SS**  172.6129.492.5162.80000110.8
330K31Very low27.4Very low176 Ų176144.6 Ų144.677%0.76577%0.769SS**  trans71.8104.5155.8-71.9161.9-164.2178.10118.3
331Q25Very low27.1Very low185 Ų185141.6 Ų141.686%0.86477%0.767SS**  55.4111.777-66.1-179.8-9.800113.3
332S26.8Very low27.1Very low109 Ų109137.6 Ų137.676%0.76277%0.77SS**  -178.2134.6102.8-168.90000112.6
333S30Very low26.6Very low103 Ų103136.3 Ų136.372%0.7277%0.765SS**  trans64.597.5142.550.70000121.2
334K24.5Very low26.4Very low198 Ų198138.1 Ų138.186%0.86178%0.776SS**  -2.3130.2122-82.7173.7169.9174.70116.2
335V29.5Very low26.7Very low136 Ų136136.7 Ų136.782%0.82478%0.777SS**  -144.8118.5125.8178.20000109.4
336T23.9Very low26.7Very low107 Ų107134 Ų13466%0.65677%0.772SS**  trans-75.5134.2157.437.50000110.2
337S29.3Very low26.8Very low111 Ų111136.6 Ų136.678%0.77678%0.781SS**  trans-150.5123.4149.357.80000111.6
338H27Very low27.2Very low160 Ų160138.1 Ų138.174%0.74179%0.793SS**  trans-91.5133.4176.9-3.7-82.1000106.4
339C22.5Very low27.5Very low137 Ų137132.4 Ų132.493%0.92678%0.782SS**  trans-124.4111.7179-144.70000108.9
340S25.6Very low27.7Very low113 Ų113134.8 Ų134.879%0.7979%0.792SS**  trans-156.7130.616537.50000110
341A24.3Very low27.6Very low96 Ų96136.9 Ų136.979%0.79380%0.796SS**  trans70.9110.8165.700000118.9
342S29.3Very low28.2Very low124 Ų124133.2 Ų133.287%0.86779%0.791SS**  -175.1133112.3-73.50000111.2
343C22.6Very low28.3Very low113 Ų113139 Ų13976%0.76480%0.796SS**  trans-77.4167.7178.9-55.40000112.5
344T25.6Very low28.3Very low140 Ų140139.7 Ų139.786%0.85980%0.801SS**  trans68.1106.8155.8590000118.7
345S32.5Very low28.7Very low108 Ų108136.5 Ų136.576%0.75580%0.798SS**  -174.5120.897.7-152.70000112.4
346S31Very low29Very low101 Ų101137.7 Ų137.771%0.70680%0.799SS**  trans49.6119.3132.5-39.30000122.5
347K28.2Very low29.6Very low201 Ų201137.8 Ų137.887%0.87480%0.804SS**  trans71.1101.2152.1-68.3178.3177.8174.90118.1
348L30.9Very low29.9Very low174 Ų174137.6 Ų137.691%0.91180%0.803SS**  -165.3138.2114.4-96155.4000110.1
349S31.8Very low30.6Very low81 Ų81136.4 Ų136.457%0.56681%0.807SS**  trans-38.1140.9-170.550.70000119.5Y351S349-Y351 PolarHBondContact O-N 2.92Å
350D29.5Very low31.5Very low157 Ų157138.7 Ų138.784%0.8480%0.796SS**  trans-47.9118.5161.4-61-56.1000112.7
351Y30.6Very low32.6Very low221 Ų221136.6 Ų136.687%0.86778%0.781SS**  trans-106.471.2161.2-84.8-87.7000109.1S349 R353S349-Y351 PolarHBondContact O-N 2.92Å; Y351-R353 PolarHBondContact O-N 3.14Å
352S36.3Very low33.8Very low107 Ų107138.7 Ų138.775%0.74878%0.778SS**  trans-8299.8158.4-73.60000108.9S354S352-S354 PolarHBondContact O-N 3.2Å
353R29.4Very low35.3Very low230 Ų230139.8 Ų139.887%0.86877%0.767SS**  trans33.785.1137-161.6171.8-178.1163.8-0.9116Y351 T355Y351-R353 PolarHBondContact O-N 3.14Å; R353-T355 PolarHBondContact O-N 3.11Å
354S29.8Very low37.3Very low119 Ų119136.6 Ų136.683%0.83275%0.746SS**  trans31.663.6139.1-45.40000116.9S352 L356S352-S354 PolarHBondContact O-N 3.2Å; S354-L356 PolarHBondContact O-N 2.97Å; S354-L356 VanDerWaalsContact O-N 3.13Å
355T33.2Very low39.1Very low130 Ų130133.5 Ų133.580%0.79873%0.725SS**  trans-64109.7155.238.80000108.2R353 S357R353-T355 PolarHBondContact O-N 3.11Å; T355-S357 PolarHBondContact O-N 3.37Å
356L35.6Very low40.6Very low162 Ų162132.6 Ų132.685%0.84871%0.71SS**  trans0.1110.5154-68.5159.2000112.9S354 S358S354-L356 PolarHBondContact O-N 2.97Å; S354-L356 VanDerWaalsContact O-N 3.13Å; L356-S358 PolarHBondContact O-N 3.03Å
357S36.7Very low42.4Very low108 Ų108132.8 Ų132.876%0.75570%0.7SS**  trans-9.299.3165.351.50000112.2T355 V359T355-S357 PolarHBondContact O-N 3.37Å; S357-V359 PolarHBondContact O-N 3.21Å
358S36.1Very low44.4Very low108 Ų108127.4 Ų127.476%0.75568%0.678SS**  trans-34105172.1-1770000108.6L356 R360L356-S358 PolarHBondContact O-N 3.03Å; S358-R360 VanDerWaalsContact C-N 3.32Å; S358-R360 PolarHBondContact O-N 3.4Å
359V41.3Very low45.8Very low135 Ų135124.3 Ų124.382%0.81866%0.662SS**  trans-48.1109165.2176.90000103.4S357 S361S357-V359 PolarHBondContact O-N 3.21Å; V359-S361 WeakPolarHBondContact O-CA 3.03Å; V359-S361 PolarHBondContact O-N 3.07Å
360R41.4Very low47.3Very low185 Ų185126.2 Ų126.270%0.69866%0.662SS**  trans-40.6109.9178.9-77.2-178.2-171.6164.83105.9S358 L362S358-R360 VanDerWaalsContact C-N 3.32Å; S358-R360 PolarHBondContact O-N 3.4Å; R360-L362 PolarHBondContact O-N 3.23Å
361S48Very low49.1Very low68 Ų68127 Ų12748%0.47666%0.657SS.*  trans-49.1137.6-169.8178.20000107.2V359 K363 S364 N365V359-S361 WeakPolarHBondContact O-CA 3.03Å; V359-S361 PolarHBondContact O-N 3.07Å; S361-K363 CarbonylContact O-C 3.4Å; S361-K363 PolarHBondContact O-N 3.15Å; S361-K363 WeakPolarHBondContact OG-CB 3.49Å; S361-K363 PolarHBondContact OG-N 2.99Å; S361-S364 PolarHBondContact O-N 2.86Å; S361-S364 PolarHBondContact O-OG 2.99Å; S361-N365 PolarHBondContact O-N 2.89Å
362L49.5Very low50.5Low140 Ų140124.9 Ų124.973%0.73365%0.648SS**Hα-helixtrans-43.6-31172-87.8154.5000111.3R360 N365 I366R360-L362 PolarHBondContact O-N 3.23Å; L362-N365 PolarHBondContact O-N 3.14Å; L362-I366 WeakPolarHBondContact O-CB 3.19Å; L362-I366 WeakPolarHBondContact O-CD1 3.45Å; L362-I366 WeakPolarHBondContact O-CG1 3.29Å; L362-I366 PolarHBondContact O-N 3Å
363K60.3Low51Low148 Ų148125.1 Ų125.164%0.64364%0.64SS**Hα-helixtrans-59.9-41.2172.8-147.3166.2-171.8178.30115.1S361 I366 E367S361-K363 CarbonylContact O-C 3.4Å; S361-K363 PolarHBondContact O-N 3.15Å; S361-K363 WeakPolarHBondContact OG-CB 3.49Å; S361-K363 PolarHBondContact OG-N 2.99Å; K363-I366 PolarHBondContact O-N 3.24Å; K363-E367 PolarHBondContact O-N 2.99Å
364S66.2Low51.8Low46 Ų46118.6 Ų118.632%0.32263%0.627SS.*Hα-helixtrans-72.1-34.2176.6660000112.4S361 E368S361-S364 PolarHBondContact O-N 2.86Å; S361-S364 PolarHBondContact O-OG 2.99Å; S364-E368 WeakPolarHBondContact O-CB 3.37Å; S364-E368 PolarHBondContact O-N 2.83Å
365N62.2Low52.5Low75 Ų75122.3 Ų122.340%0.40163%0.628SS.*Hα-helixtrans-69.9-37.3173.6-81.65.3000111.3S361 L362 L369S361-N365 PolarHBondContact O-N 2.89Å; L362-N365 PolarHBondContact O-N 3.14Å; N365-L369 WeakPolarHBondContact O-CB 3.2Å; N365-L369 WeakPolarHBondContact O-CG 3.12Å; N365-L369 PolarHBondContact O-N 2.98Å
366I64.1Low53.1Low88 Ų88121.4 Ų121.445%0.45162%0.623SS.*Hα-helixtrans-65.2-46.7173.4-68.3163.5000110.3L362 K363 E368 L369 E370L362-I366 WeakPolarHBondContact O-CB 3.19Å; L362-I366 WeakPolarHBondContact O-CD1 3.45Å; L362-I366 WeakPolarHBondContact O-CG1 3.29Å; L362-I366 PolarHBondContact O-N 3Å; K363-I366 PolarHBondContact O-N 3.24Å; I366-E368 VanDerWaalsContact C-N 3.35Å; I366-E368 PolarHBondContact O-N 2.81Å; I366-L369 CarbonylContact O-C 3.57Å; I366-L369 PolarHBondContact O-N 3.37Å; I366-E370 HydrophobicContact CG2-CG 4.3Å; I366-E370 WeakPolarHBondContact O-CB 3.38Å; I366-E370 WeakPolarHBondContact O-CG 3.32Å; I366-E370 PolarHBondContact O-N 2.9Å
367E68.9Low53.3Low105 Ų105120.6 Ų120.649%0.49162%0.619SS.*Hα-helixtrans-63-37.2176.4-81.5-179.2-179.700112.9K363 E370 K371K363-E367 PolarHBondContact O-N 2.99Å; E367-E370 PolarHBondContact O-N 3.07Å; E367-K371 WeakPolarHBondContact O-CB 3.45Å; E367-K371 WeakPolarHBondContact O-CG 2.96Å; E367-K371 PolarHBondContact O-N 2.93Å
368E70.4Confident53.8Low89 Ų89118.9 Ų118.942%0.41662%0.618SS.*Hα-helixtrans-70.4-34.8175.7-164.4176.6160.500111.7S364 I366 R372S364-E368 WeakPolarHBondContact O-CB 3.37Å; S364-E368 PolarHBondContact O-N 2.83Å; I366-E368 VanDerWaalsContact C-N 3.35Å; I366-E368 PolarHBondContact O-N 2.81Å; E368-R372 VanDerWaalsContact O-CG 3.28Å; E368-R372 WeakPolarHBondContact O-CG 3.5Å; E368-R372 PolarHBondContact O-N 3.2Å; E368-R372 VanDerWaalsContact O-N 3.1Å; E368-R372 IonicContact OE1-CZ 3.83Å; E368-R372 IonicContact OE1-NE 3.92Å; E368-R372 IonicContact OE1-NH2 3.75Å; E368-R372 PolarHBondContact OE1-NH2 3.09Å
369L60.7Low54.1Low108 Ų108119.2 Ų119.257%0.56561%0.612SS**Hα-helixtrans-70-40.8172-73.1171.9000111.8N365 I366 K371 R372 I373N365-L369 WeakPolarHBondContact O-CB 3.2Å; N365-L369 WeakPolarHBondContact O-CG 3.12Å; N365-L369 PolarHBondContact O-N 2.98Å; I366-L369 CarbonylContact O-C 3.57Å; I366-L369 PolarHBondContact O-N 3.37Å; L369-K371 VanDerWaalsContact C-N 3.3Å; L369-K371 PolarHBondContact O-N 3.47Å; L369-R372 CarbonylContact O-C 3.59Å; L369-R372 PolarHBondContact O-N 3.44Å; L369-I373 WeakPolarHBondContact O-CG1 3.39Å; L369-I373 PolarHBondContact O-N 2.81Å
370E64.1Low54.6Low122 Ų122115.4 Ų115.457%0.5759%0.591SS**Hα-helixtrans-65.6-31174.8-75.5-178.5166.900112.5I366 E367 I373I366-E370 HydrophobicContact CG2-CG 4.3Å; I366-E370 WeakPolarHBondContact O-CB 3.38Å; I366-E370 WeakPolarHBondContact O-CG 3.32Å; I366-E370 PolarHBondContact O-N 2.9Å; E367-E370 PolarHBondContact O-N 3.07Å; E370-I373 VanDerWaalsContact O-O 3.12Å
371K66.1Low55.2Low172 Ų172113.4 Ų113.475%0.74859%0.594SS**Hα-helixtrans-72-28.9169.8-77175.9-176.4175.30113E367 L369E367-K371 WeakPolarHBondContact O-CB 3.45Å; E367-K371 WeakPolarHBondContact O-CG 2.96Å; E367-K371 PolarHBondContact O-N 2.93Å; L369-K371 VanDerWaalsContact C-N 3.3Å; L369-K371 PolarHBondContact O-N 3.47Å
372R59.2Low55.7Low178 Ų178114.9 Ų114.967%0.67259%0.593SS**Hα-helixtrans-83.7-21.5177.2-74.3179-169.2-152.36.8113.2E368 L369 P374E368-R372 VanDerWaalsContact O-CG 3.28Å; E368-R372 WeakPolarHBondContact O-CG 3.5Å; E368-R372 PolarHBondContact O-N 3.2Å; E368-R372 VanDerWaalsContact O-N 3.1Å; E368-R372 IonicContact OE1-CZ 3.83Å; E368-R372 IonicContact OE1-NE 3.92Å; E368-R372 IonicContact OE1-NH2 3.75Å; E368-R372 PolarHBondContact OE1-NH2 3.09Å; L369-R372 CarbonylContact O-C 3.59Å; L369-R372 PolarHBondContact O-N 3.44Å; R372-P374 WeakPolarHBondContact O-CD 3.38Å
373I46.9Very low55.8Low112 Ų112111.3 Ų111.357%0.57458%0.584SS**SBendtrans-75.1107.8166.6-61.9162.2000105.4L369 E370 K375L369-I373 WeakPolarHBondContact O-CG1 3.39Å; L369-I373 PolarHBondContact O-N 2.81Å; E370-I373 VanDerWaalsContact O-O 3.12Å; I373-K375 PolarHBondContact O-N 2.56Å; I373-K375 VanDerWaalsContact O-N 3.11Å
374P46.1Very low55.2Low92 Ų92110.1 Ų110.160%0.59758%0.583SS**  trans-57.6128.9173.8-8.523.1000106R372 T376R372-P374 WeakPolarHBondContact O-CD 3.38Å; P374-T376 HydrophobicContact CB-CG2 3.87Å; P374-T376 HydrophobicContact CG-CG2 4.36Å; P374-T376 PolarHBondContact O-N 3.39Å
375K46.3Very low54.5Low197 Ų197112.4 Ų112.486%0.85760%0.599SS**  trans-62.880.7160.4-66.1-179-178.1-178.90105.1I373 D377I373-K375 PolarHBondContact O-N 2.56Å; I373-K375 VanDerWaalsContact O-N 3.11Å; K375-D377 PolarHBondContact O-N 3.03Å
376T44.1Very low53.7Low112 Ų112117.9 Ų117.969%0.68762%0.619SS**  trans-70.694.2177.554.80000104.5P374 G378P374-T376 HydrophobicContact CB-CG2 3.87Å; P374-T376 HydrophobicContact CG-CG2 4.36Å; P374-T376 PolarHBondContact O-N 3.39Å; T376-G378 PolarHBondContact O-N 2.89Å; T376-G378 VanDerWaalsContact O-N 3.1Å
377D41.5Very low53.1Low144 Ų144120.9 Ų120.977%0.7764%0.636SS**  trans-34.9119.1153.8-66.1-40.6000107K375 N379K375-D377 PolarHBondContact O-N 3.03Å; D377-N379 PolarHBondContact O-N 3.19Å
378G46.7Very low52.6Low72 Ų72124.7 Ų124.774%0.74266%0.66SS**SBendtrans-69.346.7-163.800000114.6T376T376-G378 PolarHBondContact O-N 2.89Å; T376-G378 VanDerWaalsContact O-N 3.1Å
379N42.9Very low52.1Low116 Ų116123.4 Ų123.462%0.6267%0.671SS**  trans-126.874.8-172.1-71.156.6000108.5D377 N381D377-N379 PolarHBondContact O-N 3.19Å; N379-N381 PolarHBondContact O-N 3.09Å
380C50.9Low52.3Low55 Ų55122.6 Ų122.637%0.37267%0.667SS.*  trans-60.9125.4153.267.40000107.4H382 A383C380-H382 PolarHBondContact O-N 3.02Å; C380-H382 PolarHBondContact SG-CE1 3.4Å; C380-H382 PolarHBondContact SG-NE2 3.07Å; C380-A383 PolarHBondContact O-N 2.94Å
381N54.7Low52.8Low142 Ų142118.7 Ų118.776%0.75965%0.652SS**THydrogen-bonded Turntrans-60.7-1.7-171.2-76.9-22.7000115.4N379N379-N381 PolarHBondContact O-N 3.09Å
382H59.1Low53.1Low99 Ų99118.5 Ų118.546%0.45865%0.648SS.*THydrogen-bonded Turntrans-95.9-3.8173.663.7-96.2000113.8C380 I384 C391C380-H382 PolarHBondContact O-N 3.02Å; C380-H382 PolarHBondContact SG-CE1 3.4Å; C380-H382 PolarHBondContact SG-NE2 3.07Å; H382-I384 VanDerWaalsContact C-N 3.28Å; H382-C391 PolarHBondContact NE2-SG 3.28Å
383A49.7Very low53.7Low66 Ų66114.9 Ų114.955%0.54564%0.642SS.*THydrogen-bonded Turntrans-82.9-3.2172.800000113.3C380 S385C380-A383 PolarHBondContact O-N 2.94Å; A383-S385 VanDerWaalsContact C-N 3.29Å; A383-S385 PolarHBondContact O-N 3.26Å
384I48.5Very low55.1Low122 Ų122110.9 Ų110.963%0.62662%0.623SS**THydrogen-bonded Turntrans-76.9-16-175.7-57.2174.9000111.9H382 K386H382-I384 VanDerWaalsContact C-N 3.28Å; I384-K386 PolarHBondContact O-N 3.4Å
385S51Low56.7Low94 Ų94111.9 Ų111.966%0.65762%0.616SS**SBendtrans-92.295.3175.360.10000111.1A383A383-S385 VanDerWaalsContact C-N 3.29Å; A383-S385 PolarHBondContact O-N 3.26Å
386K45.9Very low58.3Low190 Ų190104.7 Ų104.783%0.82659%0.585SS**SBendtrans32.2114151.2-66.7-176.6177.8-179.20117I384I384-K386 PolarHBondContact O-N 3.4Å
387N50.6Low60Low152 Ų152107.8 Ų107.881%0.81358%0.584SS**SBendtrans100.6119.3172-60.6-7.5000113.2G389N387-G389 PolarHBondContact O-N 3.34Å
388N59.1Low61.7Low185 Ų185108.8 Ų108.899%0.98958%0.577SS**SBendtrans-6335.1-169.3-63.8-17.8000116
389G59.2Low63.1Low62 Ų62109.7 Ų109.764%0.63956%0.564SS**PPolyproline II helixtrans-92.7132.6173.400000111.3N387 C391N387-G389 PolarHBondContact O-N 3.34Å; G389-C391 PolarHBondContact O-N 2.94Å
390L65.5Low64.6Low91 Ų91113.6 Ų113.648%0.47657%0.57SS.*PPolyproline II helixtrans-54.6135.6159.6-68.8161.8000108C394L390-C394 HydrophobicContact CB-CB 4.03Å; L390-C394 HydrophobicContact CD2-CB 3.91Å
391C74.1Confident65.7Low40 Ų40117.1 Ų117.127%0.2759%0.585SS.*PPolyproline II helixtrans-59.2158.3171.382.30000110H382 G389 L393 C394 Y395H382-C391 PolarHBondContact NE2-SG 3.28Å; G389-C391 PolarHBondContact O-N 2.94Å; C391-L393 PolarHBondContact O-N 2.91Å; C391-C394 CarbonylContact O-C 3.48Å; C391-C394 WeakPolarHBondContact O-CA 3.49Å; C391-C394 PolarHBondContact O-N 3.29Å; C391-C394 PolarHBondContact SG-N 3.18Å; C391-C394 PolarHBondContact SG-SG 3.41Å; C391-Y395 PolarHBondContact O-N 3.05Å
392Y74.1Confident66.5Low168 Ų168116.3 Ų116.366%0.65958%0.58SS**Hα-helixtrans-49.3-39.4-178.4179.2-107000113.2Q396Y392-Q396 HydrophobicContact CD1-CG 4.48Å; Y392-Q396 VanDerWaalsContact CE1-CD 3.41Å; Y392-Q396 HydrophobicContact CE1-CG 4.22Å; Y392-Q396 HydrophobicContact CE2-CG 4.4Å; Y392-Q396 VanDerWaalsContact O-CB 3.29Å; Y392-Q396 WeakPolarHBondContact O-CB 3.44Å; Y392-Q396 VanDerWaalsContact O-CG 3.27Å; Y392-Q396 WeakPolarHBondContact O-CG 3.19Å; Y392-Q396 PolarHBondContact O-N 3Å; Y392-Q396 PolarHBondContact OH-NE2 3.47Å
393L70.3Confident66.7Low102 Ų102117.3 Ų117.353%0.53460%0.595SS.*Hα-helixtrans-71.6-37.9177.5-62.7176.1000113C391 R397C391-L393 PolarHBondContact O-N 2.91Å; L393-R397 WeakPolarHBondContact O-CB 3.46Å; L393-R397 WeakPolarHBondContact O-CG 3.31Å; L393-R397 PolarHBondContact O-N 3.2Å
394C77.7Confident67.8Low28 Ų28119.2 Ų119.219%0.18960%0.6CS.*Hα-helixtrans-71.8-37176.2-71.30000111.6L390 C391 R397 R398L390-C394 HydrophobicContact CB-CB 4.03Å; L390-C394 HydrophobicContact CD2-CB 3.91Å; C391-C394 CarbonylContact O-C 3.48Å; C391-C394 WeakPolarHBondContact O-CA 3.49Å; C391-C394 PolarHBondContact O-N 3.29Å; C391-C394 PolarHBondContact SG-N 3.18Å; C391-C394 PolarHBondContact SG-SG 3.41Å; C394-R397 PolarHBondContact O-N 3.21Å; C394-R398 WeakPolarHBondContact O-CB 3.45Å; C394-R398 PolarHBondContact O-N 3.4Å
395Y78Confident69.2Low113 Ų113118.6 Ų118.644%0.44360%0.598SS.*Hα-helixtrans-65.5-45.2171.5-178-108.6000111.3C391 R397 R398 I399C391-Y395 PolarHBondContact O-N 3.05Å; Y395-R397 PolarHBondContact O-N 3.48Å; Y395-R398 PolarHBondContact O-N 2.9Å; Y395-R398 VanDerWaalsContact O-N 3.16Å; Y395-I399 HydrophobicContact CD1-CD1 3.66Å; Y395-I399 HydrophobicContact CD1-CG1 4.47Å; Y395-I399 HydrophobicContact CE1-CD1 3.11Å; Y395-I399 HydrophobicContact CE1-CG1 4.14Å; Y395-I399 HydrophobicContact CE2-CD1 4.15Å; Y395-I399 HydrophobicContact CE2-CG1 4.41Å; Y395-I399 HydrophobicContact CG-CD1 4.38Å; Y395-I399 PolarHBondContact O-N 2.87Å
396Q80.2Confident70.8Confident45 Ų45118 Ų11821%0.2159%0.587CS.*Hα-helixtrans-59.7-44.7173.1-83.5-174.2-20.100112.3Y392 R398 I399 R400Y392-Q396 HydrophobicContact CD1-CG 4.48Å; Y392-Q396 VanDerWaalsContact CE1-CD 3.41Å; Y392-Q396 HydrophobicContact CE1-CG 4.22Å; Y392-Q396 HydrophobicContact CE2-CG 4.4Å; Y392-Q396 VanDerWaalsContact O-CB 3.29Å; Y392-Q396 WeakPolarHBondContact O-CB 3.44Å; Y392-Q396 VanDerWaalsContact O-CG 3.27Å; Y392-Q396 WeakPolarHBondContact O-CG 3.19Å; Y392-Q396 PolarHBondContact O-N 3Å; Y392-Q396 PolarHBondContact OH-NE2 3.47Å; Q396-R398 VanDerWaalsContact C-N 3.28Å; Q396-R398 PolarHBondContact O-N 2.99Å; Q396-I399 PolarHBondContact O-N 3.31Å; Q396-R400 WeakPolarHBondContact O-CB 3.24Å; Q396-R400 VanDerWaalsContact O-CG 3.29Å; Q396-R400 WeakPolarHBondContact O-CG 3.39Å; Q396-R400 PolarHBondContact O-N 2.8Å
397R80.3Confident72.8Confident178 Ų178116.1 Ų116.167%0.67258%0.578SS**Hα-helixtrans-59.2-41174.9-76.7171.5-174.2-174.51.8110.9L393 C394 Y395 R400 N401L393-R397 WeakPolarHBondContact O-CB 3.46Å; L393-R397 WeakPolarHBondContact O-CG 3.31Å; L393-R397 PolarHBondContact O-N 3.2Å; C394-R397 PolarHBondContact O-N 3.21Å; Y395-R397 PolarHBondContact O-N 3.48Å; R397-R400 PolarHBondContact O-N 3.2Å; R397-N401 WeakPolarHBondContact O-CB 3.24Å; R397-N401 PolarHBondContact O-N 3.17Å
398R77.7Confident74.5Confident164 Ų164114.3 Ų114.362%0.61957%0.569SS**Hα-helixtrans-68-41.1177.1-163.3-178.483.5170.27.2113C394 Y395 Q396 R400C394-R398 WeakPolarHBondContact O-CB 3.45Å; C394-R398 PolarHBondContact O-N 3.4Å; Y395-R398 PolarHBondContact O-N 2.9Å; Y395-R398 VanDerWaalsContact O-N 3.16Å; Q396-R398 VanDerWaalsContact C-N 3.28Å; Q396-R398 PolarHBondContact O-N 2.99Å; R398-R400 VanDerWaalsContact C-N 3.34Å
399I74.9Confident75.8Confident91 Ų91112 Ų11247%0.46755%0.552SS.*Hα-helixtrans-64.6-40.7174.8-71.5173.4000110.9Y395 Q396Y395-I399 HydrophobicContact CD1-CD1 3.66Å; Y395-I399 HydrophobicContact CD1-CG1 4.47Å; Y395-I399 HydrophobicContact CE1-CD1 3.11Å; Y395-I399 HydrophobicContact CE1-CG1 4.14Å; Y395-I399 HydrophobicContact CE2-CD1 4.15Å; Y395-I399 HydrophobicContact CE2-CG1 4.41Å; Y395-I399 HydrophobicContact CG-CD1 4.38Å; Y395-I399 PolarHBondContact O-N 2.87Å; Q396-I399 PolarHBondContact O-N 3.31Å
400R75.2Confident77.1Confident198 Ų198113.2 Ų113.275%0.74754%0.543SS*.Hα-helixtrans-77.3-32.1-177.6-70.9179.7178.1-178.40.5112.9Q396 R397 R398 I402Q396-R400 WeakPolarHBondContact O-CB 3.24Å; Q396-R400 VanDerWaalsContact O-CG 3.29Å; Q396-R400 WeakPolarHBondContact O-CG 3.39Å; Q396-R400 PolarHBondContact O-N 2.8Å; R397-R400 PolarHBondContact O-N 3.2Å; R398-R400 VanDerWaalsContact C-N 3.34Å; R400-I402 PolarHBondContact O-N 2.94Å
401N73.8Confident78.3Confident130 Ų130114.6 Ų114.670%0.69555%0.545SS*.  trans-94.668.7-178.6-155.717.5000109.8R397 P403R397-N401 WeakPolarHBondContact O-CB 3.24Å; R397-N401 PolarHBondContact O-N 3.17Å; N401-P403 WeakPolarHBondContact O-CD 3.31Å
402I71.8Confident79Confident124 Ų124119.8 Ų119.864%0.63656%0.563SS**  trans-69.3119170.8-59.8169.4000106.7R400 V404R400-I402 PolarHBondContact O-N 2.94Å; I402-V404 PolarHBondContact O-N 2.96Å
403P64.1Low79.8Confident121 Ų121120.4 Ų120.479%0.78656%0.564SS**  trans-63.3110.2175.1-15.629000108.8N401N401-P403 WeakPolarHBondContact O-CD 3.31Å
404V72.6Confident80.8Confident106 Ų106120.7 Ų120.764%0.64256%0.563SS**  trans-87.5113.9172.4-176.70000107.4I402 L406I402-V404 PolarHBondContact O-N 2.96Å; V404-L406 HydrophobicContact CG1-CD2 3.56Å; V404-L406 HydrophobicContact CG1-CG 4.02Å; V404-L406 PolarHBondContact O-N 2.96Å; V404-L406 VanDerWaalsContact O-N 3.15Å
405D77.6Confident81.5Confident109 Ų109124 Ų12458%0.58358%0.575SS**  trans-79.194.6173.6-1670.6000109.7K407D405-K407 PolarHBondContact O-N 3.38Å; D405-K407 WeakPolarHBondContact OD1-CB 3.35Å; D405-K407 WeakPolarHBondContact OD1-CD 3.42Å; D405-K407 WeakPolarHBondContact OD1-CG 3.5Å; D405-K407 PolarHBondContact OD1-N 2.93Å
406L85.2Confident82.2Confident82 Ų82121.2 Ų121.243%0.42958%0.576SS.*THydrogen-bonded Turntrans-80.51.5-179.7-63.5174.5000113.2V404 D408 E409 I410V404-L406 HydrophobicContact CG1-CD2 3.56Å; V404-L406 HydrophobicContact CG1-CG 4.02Å; V404-L406 PolarHBondContact O-N 2.96Å; V404-L406 VanDerWaalsContact O-N 3.15Å; L406-D408 VanDerWaalsContact C-N 3.27Å; L406-D408 PolarHBondContact O-N 3.39Å; L406-E409 WeakPolarHBondContact CD2-OE2 3.35Å; L406-E409 PolarHBondContact O-N 3.48Å; L406-E409 VanDerWaalsContact O-N 3.16Å; L406-I410 HydrophobicContact CB-CD1 4.22Å; L406-I410 HydrophobicContact CB-CG1 4.5Å; L406-I410 VanDerWaalsContact O-CG1 3.28Å; L406-I410 WeakPolarHBondContact O-CG1 3.48Å; L406-I410 PolarHBondContact O-N 3.17Å
407K86.9Confident82.8Confident149 Ų149124.1 Ų124.165%0.64859%0.59SS**Hα-helixtrans-57.8-41.2-176.8-73.6174.4-175.4173.60112.5D405 K411D405-K407 PolarHBondContact O-N 3.38Å; D405-K407 WeakPolarHBondContact OD1-CB 3.35Å; D405-K407 WeakPolarHBondContact OD1-CD 3.42Å; D405-K407 WeakPolarHBondContact OD1-CG 3.5Å; D405-K407 PolarHBondContact OD1-N 2.93Å; K407-K411 WeakPolarHBondContact O-CB 3.29Å; K407-K411 PolarHBondContact O-N 2.97Å
408D85.9Confident83.4Confident114 Ų114119.9 Ų119.961%0.6158%0.58SS**Hα-helixtrans-69.9-36.9179.2-72.5-17.6000112.1L406 K412L406-D408 VanDerWaalsContact C-N 3.27Å; L406-D408 PolarHBondContact O-N 3.39Å; D408-K412 WeakPolarHBondContact O-CG 3.3Å; D408-K412 PolarHBondContact O-N 3.09Å
409E86.5Confident84.1Confident136 Ų136118 Ų11864%0.63658%0.579SS**Hα-helixtrans-67.5-43.2174.7-73-166.7168.500111.9L406 K412 R413L406-E409 WeakPolarHBondContact CD2-OE2 3.35Å; L406-E409 PolarHBondContact O-N 3.48Å; L406-E409 VanDerWaalsContact O-N 3.16Å; E409-K412 PolarHBondContact O-N 3.43Å; E409-R413 WeakPolarHBondContact O-CB 3.42Å; E409-R413 PolarHBondContact O-N 3.42Å
410I86.2Confident85.1Confident88 Ų88119.3 Ų119.345%0.45159%0.586SS.*Hα-helixtrans-61.2-47.5176-67.4165.5000109.8L406 K412 R413 E414L406-I410 HydrophobicContact CB-CD1 4.22Å; L406-I410 HydrophobicContact CB-CG1 4.5Å; L406-I410 VanDerWaalsContact O-CG1 3.28Å; L406-I410 WeakPolarHBondContact O-CG1 3.48Å; L406-I410 PolarHBondContact O-N 3.17Å; I410-K412 VanDerWaalsContact C-N 3.34Å; I410-K412 PolarHBondContact O-N 3.45Å; I410-R413 WeakPolarHBondContact O-CA 3.44Å; I410-R413 WeakPolarHBondContact O-CB 3.43Å; I410-R413 PolarHBondContact O-N 3.48Å; I410-E414 HydrophobicContact CG2-CG 4.32Å; I410-E414 WeakPolarHBondContact O-CG 3.48Å; I410-E414 PolarHBondContact O-N 2.92Å
411K90.5Very high86Confident120 Ų120114.3 Ų114.352%0.52257%0.574SS.*Hα-helixtrans-60.6-41.8179.2-175.2179.2178.9-1770112.4K407 R413 E414 Q415K407-K411 WeakPolarHBondContact O-CB 3.29Å; K407-K411 PolarHBondContact O-N 2.97Å; K411-R413 VanDerWaalsContact C-N 3.3Å; K411-R413 PolarHBondContact O-N 2.97Å; K411-E414 PolarHBondContact O-N 3.16Å; K411-Q415 WeakPolarHBondContact O-CB 3.45Å; K411-Q415 VanDerWaalsContact O-CG 3.29Å; K411-Q415 WeakPolarHBondContact O-CG 3.29Å; K411-Q415 PolarHBondContact O-N 2.88Å
412K90.5Very high87Confident150 Ų150113.6 Ų113.665%0.65257%0.566SS**Hα-helixtrans-64.5-36.3174.8-76.9180179.6178.90112D408 E409 I410 A416D408-K412 WeakPolarHBondContact O-CG 3.3Å; D408-K412 PolarHBondContact O-N 3.09Å; E409-K412 PolarHBondContact O-N 3.43Å; I410-K412 VanDerWaalsContact C-N 3.34Å; I410-K412 PolarHBondContact O-N 3.45Å; K412-A416 PolarHBondContact O-N 3.18Å
413R91Very high88Confident180 Ų180112.5 Ų112.568%0.67956%0.56SS**Hα-helixtrans-67.9-44.8176.3-158.9-174-150.6-172.44.8111.9E409 I410 K411 Q415 A416 E417E409-R413 WeakPolarHBondContact O-CB 3.42Å; E409-R413 PolarHBondContact O-N 3.42Å; I410-R413 WeakPolarHBondContact O-CA 3.44Å; I410-R413 WeakPolarHBondContact O-CB 3.43Å; I410-R413 PolarHBondContact O-N 3.48Å; K411-R413 VanDerWaalsContact C-N 3.3Å; K411-R413 PolarHBondContact O-N 2.97Å; R413-Q415 VanDerWaalsContact C-N 3.33Å; R413-Q415 PolarHBondContact O-N 3.33Å; R413-A416 PolarHBondContact O-N 3.14Å; R413-E417 WeakPolarHBondContact O-CG 3.4Å; R413-E417 PolarHBondContact O-N 2.85Å
414E90.3Very high89.4Confident108 Ų108113.4 Ų113.451%0.50555%0.549SS..Hα-helixtrans-59.5-43.6174.5-72.5175.6166.700111.1I410 K411 A416 E417 D418I410-E414 HydrophobicContact CG2-CG 4.32Å; I410-E414 WeakPolarHBondContact O-CG 3.48Å; I410-E414 PolarHBondContact O-N 2.92Å; K411-E414 PolarHBondContact O-N 3.16Å; E414-A416 PolarHBondContact O-N 3.43Å; E414-E417 PolarHBondContact O-N 3.4Å; E414-D418 WeakPolarHBondContact O-CB 3.31Å; E414-D418 PolarHBondContact O-N 3.34Å
415Q93.2Very high90.4Very high97 Ų97113.6 Ų113.645%0.45354%0.543SS..Hα-helixtrans-61.1-42.7175.2-74.7176.7-21.300112.6K411 R413 D418 E419K411-Q415 WeakPolarHBondContact O-CB 3.45Å; K411-Q415 VanDerWaalsContact O-CG 3.29Å; K411-Q415 WeakPolarHBondContact O-CG 3.29Å; K411-Q415 PolarHBondContact O-N 2.88Å; R413-Q415 VanDerWaalsContact C-N 3.33Å; R413-Q415 PolarHBondContact O-N 3.33Å; Q415-D418 PolarHBondContact O-N 3.37Å; Q415-E419 WeakPolarHBondContact O-CB 3.41Å; Q415-E419 WeakPolarHBondContact O-CG 2.92Å; Q415-E419 PolarHBondContact O-N 2.94Å
416A93Very high91.2Very high56 Ų56115.7 Ų115.746%0.46354%0.543SS..Hα-helixtrans-67-36.1176.300000112.6K412 R413 E414 L420K412-A416 PolarHBondContact O-N 3.18Å; R413-A416 PolarHBondContact O-N 3.14Å; E414-A416 PolarHBondContact O-N 3.43Å; A416-L420 WeakPolarHBondContact O-CB 3.28Å; A416-L420 PolarHBondContact O-N 3.47Å; A416-L420 VanDerWaalsContact O-N 3.09Å
417E91.5Very high91.6Very high105 Ų105116.4 Ų116.449%0.49155%0.545SS..Hα-helixtrans-66.9-41.6174-73.1174.3-166.100111.4R413 E414 L420 L421R413-E417 WeakPolarHBondContact O-CG 3.4Å; R413-E417 PolarHBondContact O-N 2.85Å; E414-E417 PolarHBondContact O-N 3.4Å; E417-L420 PolarHBondContact O-N 3.2Å; E417-L421 WeakPolarHBondContact O-CB 3.32Å; E417-L421 VanDerWaalsContact O-CG 3.3Å; E417-L421 WeakPolarHBondContact O-CG 3.35Å; E417-L421 PolarHBondContact O-N 2.9Å
418D92.7Very high91.9Very high89 Ų89117.1 Ų117.148%0.47654%0.544SS..Hα-helixtrans-65.6-41.8175.6-78.6-19.5000112.4E414 Q415 L420 L421 Q422E414-D418 WeakPolarHBondContact O-CB 3.31Å; E414-D418 PolarHBondContact O-N 3.34Å; Q415-D418 PolarHBondContact O-N 3.37Å; D418-L420 VanDerWaalsContact C-N 3.32Å; D418-L420 PolarHBondContact O-N 2.83Å; D418-L421 PolarHBondContact O-N 2.91Å; D418-Q422 WeakPolarHBondContact O-CG 3.33Å; D418-Q422 PolarHBondContact O-N 2.82Å
419E94Very high92.2Very high125 Ų125117.2 Ų117.258%0.58454%0.541SS*.Hα-helixtrans-60-42.9173.4-77.1177.1-171.700111.3Q415 Q422 I423Q415-E419 WeakPolarHBondContact O-CB 3.41Å; Q415-E419 WeakPolarHBondContact O-CG 2.92Å; Q415-E419 PolarHBondContact O-N 2.94Å; E419-Q422 PolarHBondContact O-N 2.74Å; E419-I423 WeakPolarHBondContact O-CG1 3.33Å; E419-I423 PolarHBondContact O-N 3.33Å
420L94.6Very high92.6Very high119 Ų119115 Ų11562%0.62353%0.533SS*.Hα-helixtrans-65.2-41.2176.3-170.870.1000111.9A416 E417 D418 Q422 I423 Y424A416-L420 WeakPolarHBondContact O-CB 3.28Å; A416-L420 PolarHBondContact O-N 3.47Å; A416-L420 VanDerWaalsContact O-N 3.09Å; E417-L420 PolarHBondContact O-N 3.2Å; D418-L420 VanDerWaalsContact C-N 3.32Å; D418-L420 PolarHBondContact O-N 2.83Å; L420-Q422 VanDerWaalsContact C-N 3.34Å; L420-Q422 PolarHBondContact O-N 3Å; L420-I423 PolarHBondContact O-N 3.47Å; L420-Y424 WeakPolarHBondContact O-CB 3.44Å; L420-Y424 PolarHBondContact O-N 3.46Å
421L93.7Very high92.9Very high92 Ų92114.5 Ų114.548%0.48253%0.532SS..Hα-helixtrans-60.5-42.4175.2-77.1166.4000111.5E417 D418 Y424 Q425E417-L421 WeakPolarHBondContact O-CB 3.32Å; E417-L421 VanDerWaalsContact O-CG 3.3Å; E417-L421 WeakPolarHBondContact O-CG 3.35Å; E417-L421 PolarHBondContact O-N 2.9Å; D418-L421 PolarHBondContact O-N 2.91Å; L421-Y424 PolarHBondContact O-N 2.99Å; L421-Q425 WeakPolarHBondContact O-CB 3.49Å; L421-Q425 VanDerWaalsContact O-CG 3.29Å; L421-Q425 WeakPolarHBondContact O-CG 3.16Å; L421-Q425 PolarHBondContact O-N 3.47Å
422Q94.7Very high92.9Very high115 Ų115114 Ų11454%0.53753%0.531SS..Hα-helixtrans-64.7-42.7176.3-71.9175.436.100112.3D418 E419 L420 Y424 Q425 R426D418-Q422 WeakPolarHBondContact O-CG 3.33Å; D418-Q422 PolarHBondContact O-N 2.82Å; E419-Q422 PolarHBondContact O-N 2.74Å; L420-Q422 VanDerWaalsContact C-N 3.34Å; L420-Q422 PolarHBondContact O-N 3Å; Q422-Y424 VanDerWaalsContact C-N 3.32Å; Q422-Y424 PolarHBondContact O-N 3.01Å; Q422-Q425 PolarHBondContact O-N 3.42Å; Q422-R426 WeakPolarHBondContact O-CB 3.4Å; Q422-R426 PolarHBondContact O-N 2.91Å
423I93.8Very high93Very high101 Ų101109.8 Ų109.852%0.51852%0.518SS..Hα-helixtrans-60.6-44.6175.6-68.9166.6000110.4E419 L420 R426 M427E419-I423 WeakPolarHBondContact O-CG1 3.33Å; E419-I423 PolarHBondContact O-N 3.33Å; L420-I423 PolarHBondContact O-N 3.47Å; I423-R426 PolarHBondContact O-N 2.87Å; I423-M427 WeakPolarHBondContact O-CB 3.39Å; I423-M427 PolarHBondContact O-N 3.4Å
424Y93.4Very high93.1Very high141 Ų141105.6 Ų105.655%0.55351%0.509SS*.Hα-helixtrans-65.3-41.2179-176.4-98.2000112.6L420 L421 Q422 M427 R428L420-Y424 WeakPolarHBondContact O-CB 3.44Å; L420-Y424 PolarHBondContact O-N 3.46Å; L421-Y424 PolarHBondContact O-N 2.99Å; Q422-Y424 VanDerWaalsContact C-N 3.32Å; Q422-Y424 PolarHBondContact O-N 3.01Å; Y424-M427 HydrophobicContact CD2-CE 3.91Å; Y424-M427 HydrophobicContact CE2-CE 4.02Å; Y424-M427 PolarHBondContact O-N 3.28Å; Y424-R428 WeakPolarHBondContact O-CB 3.35Å; Y424-R428 PolarHBondContact O-N 3.43Å
425Q92.9Very high93.2Very high110 Ų110108.6 Ų108.651%0.51452%0.516SS..Hα-helixtrans-61.4-48.9175.1-74.5172.413.500111.4L421 Q422 M427 R428 E429L421-Q425 WeakPolarHBondContact O-CB 3.49Å; L421-Q425 VanDerWaalsContact O-CG 3.29Å; L421-Q425 WeakPolarHBondContact O-CG 3.16Å; L421-Q425 PolarHBondContact O-N 3.47Å; Q422-Q425 PolarHBondContact O-N 3.42Å; Q425-M427 VanDerWaalsContact C-N 3.32Å; Q425-M427 PolarHBondContact O-N 3.31Å; Q425-R428 WeakPolarHBondContact O-CB 3.45Å; Q425-R428 PolarHBondContact O-N 3Å; Q425-R428 VanDerWaalsContact O-N 3.1Å; Q425-E429 WeakPolarHBondContact O-CG 3.39Å; Q425-E429 PolarHBondContact O-N 2.88Å
426R94.4Very high93.2Very high152 Ų152109.4 Ų109.457%0.57452%0.519SS*.Hα-helixtrans-59.6-41.5175.9-172.5-174.7-63.9150.82.4112.1Q422 I423 R428 E429 N430Q422-R426 WeakPolarHBondContact O-CB 3.4Å; Q422-R426 PolarHBondContact O-N 2.91Å; I423-R426 PolarHBondContact O-N 2.87Å; R426-R428 VanDerWaalsContact C-N 3.32Å; R426-R428 PolarHBondContact O-N 3.38Å; R426-E429 PolarHBondContact O-N 2.99Å; R426-N430 WeakPolarHBondContact O-CB 3.3Å; R426-N430 PolarHBondContact O-N 3.43Å
427M93.8Very high93.2Very high98 Ų98112.5 Ų112.548%0.48352%0.524SS..Hα-helixtrans-63.1-39.8176.2-173.2-178.97600111.5I423 Y424 Q425 N431I423-M427 WeakPolarHBondContact O-CB 3.39Å; I423-M427 PolarHBondContact O-N 3.4Å; Y424-M427 HydrophobicContact CD2-CE 3.91Å; Y424-M427 HydrophobicContact CE2-CE 4.02Å; Y424-M427 PolarHBondContact O-N 3.28Å; Q425-M427 VanDerWaalsContact C-N 3.32Å; Q425-M427 PolarHBondContact O-N 3.31Å; M427-N431 WeakPolarHBondContact O-CB 3.39Å; M427-N431 VanDerWaalsContact O-CG 3.23Å; M427-N431 PolarHBondContact O-N 3.45Å; M427-N431 PolarHBondContact O-ND2 2.91Å
428R93.8Very high93.3Very high163 Ų163113.6 Ų113.662%0.61553%0.53SS*.Hα-helixtrans-65-46.9176.6-174.3-179.3178.1-177.1-0.3111.7Y424 Q425 R426 N431 E432Y424-R428 WeakPolarHBondContact O-CB 3.35Å; Y424-R428 PolarHBondContact O-N 3.43Å; Q425-R428 WeakPolarHBondContact O-CB 3.45Å; Q425-R428 PolarHBondContact O-N 3Å; Q425-R428 VanDerWaalsContact O-N 3.1Å; R426-R428 VanDerWaalsContact C-N 3.32Å; R426-R428 PolarHBondContact O-N 3.38Å; R428-N431 PolarHBondContact O-N 2.98Å; R428-E432 WeakPolarHBondContact O-CB 3.41Å; R428-E432 PolarHBondContact O-N 3.41Å
429E91.8Very high93.4Very high117 Ų117114.5 Ų114.555%0.54753%0.534SS..Hα-helixtrans-60.6-43.5176.3-70.1170.5178.200111.7Q425 R426 N431 E432 T433Q425-E429 WeakPolarHBondContact O-CG 3.39Å; Q425-E429 PolarHBondContact O-N 2.88Å; R426-E429 PolarHBondContact O-N 2.99Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 3.01Å; E429-E432 PolarHBondContact O-N 2.94Å; E429-T433 WeakPolarHBondContact O-CG2 3.46Å; E429-T433 PolarHBondContact O-N 3.38Å; E429-T433 PolarHBondContact O-OG1 3.18Å
430N94.5Very high93.5Very high90 Ų90114.1 Ų114.148%0.48154%0.536SS..Hα-helixtrans-62.7-39.3174.2-78.4-4.3000112.4R426 T433 N434R426-N430 WeakPolarHBondContact O-CB 3.3Å; R426-N430 PolarHBondContact O-N 3.43Å; N430-T433 VanDerWaalsContact CA-OG1 3.32Å; N430-T433 WeakPolarHBondContact CA-OG1 3.33Å; N430-T433 PolarHBondContact O-OG1 3.19Å; N430-N434 WeakPolarHBondContact O-CB 3.31Å; N430-N434 PolarHBondContact O-N 3.26Å; N430-N434 PolarHBondContact O-ND2 3.45Å
431N93.3Very high93.6Very high77 Ų77113.5 Ų113.541%0.41253%0.533SS..Hα-helixtrans-68.5-35.7176.4-76.6-30.1000112.5M427 R428 E429 R435M427-N431 WeakPolarHBondContact O-CB 3.39Å; M427-N431 VanDerWaalsContact O-CG 3.23Å; M427-N431 PolarHBondContact O-N 3.45Å; M427-N431 PolarHBondContact O-ND2 2.91Å; R428-N431 PolarHBondContact O-N 2.98Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 3.01Å; N431-R435 VanDerWaalsContact O-CG 3.28Å; N431-R435 WeakPolarHBondContact O-CG 3.35Å; N431-R435 PolarHBondContact O-N 2.95Å; N431-R435 VanDerWaalsContact O-N 3.15Å
432E90.1Very high93.6Very high108 Ų108112.2 Ų112.251%0.50553%0.529SS..Hα-helixtrans-69.2-47.5177.2-169.1160.6-161.700111R428 E429 N434 R435 E436R428-E432 WeakPolarHBondContact O-CB 3.41Å; R428-E432 PolarHBondContact O-N 3.41Å; E429-E432 PolarHBondContact O-N 2.94Å; E432-N434 PolarHBondContact O-N 2.91Å; E432-R435 PolarHBondContact O-N 2.86Å; E432-E436 WeakPolarHBondContact O-CG 3.35Å; E432-E436 PolarHBondContact O-N 2.88Å
433T92.7Very high93.7Very high62 Ų62114.7 Ų114.738%0.3853%0.533SS..Hα-helixtrans-60.7-41.1175.150.90000112.7E429 N430 E436 Q437E429-T433 WeakPolarHBondContact O-CG2 3.46Å; E429-T433 PolarHBondContact O-N 3.38Å; E429-T433 PolarHBondContact O-OG1 3.18Å; N430-T433 VanDerWaalsContact CA-OG1 3.32Å; N430-T433 WeakPolarHBondContact CA-OG1 3.33Å; N430-T433 PolarHBondContact O-OG1 3.19Å; T433-E436 PolarHBondContact O-N 2.98Å; T433-Q437 WeakPolarHBondContact O-CG 3.34Å; T433-Q437 PolarHBondContact O-N 3.29Å
434N92.5Very high93.8Very high92 Ų92118 Ų11849%0.49254%0.539SS..Hα-helixtrans-62.2-42.5174.7-76.7-15.1000112.5N430 E432 E436 Q437 E438N430-N434 WeakPolarHBondContact O-CB 3.31Å; N430-N434 PolarHBondContact O-N 3.26Å; N430-N434 PolarHBondContact O-ND2 3.45Å; E432-N434 PolarHBondContact O-N 2.91Å; N434-E436 VanDerWaalsContact C-N 3.35Å; N434-Q437 PolarHBondContact O-N 2.99Å; N434-E438 PolarHBondContact O-N 3.47Å
435R92.9Very high93.9Very high171 Ų171115.7 Ų115.765%0.64554%0.536SS*.Hα-helixtrans-64-40.1175.9-74.1172.8-168.4-117.12.7111.8N431 E432 E438 N439N431-R435 VanDerWaalsContact O-CG 3.28Å; N431-R435 WeakPolarHBondContact O-CG 3.35Å; N431-R435 PolarHBondContact O-N 2.95Å; N431-R435 VanDerWaalsContact O-N 3.15Å; E432-R435 PolarHBondContact O-N 2.86Å; R435-E438 PolarHBondContact O-N 3.42Å; R435-N439 WeakPolarHBondContact O-CB 3.48Å; R435-N439 VanDerWaalsContact O-CG 3.23Å; R435-N439 PolarHBondContact O-N 3.21Å; R435-N439 PolarHBondContact O-ND2 3.4Å
436E93.5Very high93.9Very high114 Ų114116 Ų11653%0.53354%0.538SS..Hα-helixtrans-62.3-43.6175.3-73.2-177.8172.400111.7E432 T433 N434 E438 N439 L440E432-E436 WeakPolarHBondContact O-CG 3.35Å; E432-E436 PolarHBondContact O-N 2.88Å; T433-E436 PolarHBondContact O-N 2.98Å; N434-E436 VanDerWaalsContact C-N 3.35Å; E436-E438 PolarHBondContact O-N 3.01Å; E436-N439 PolarHBondContact O-N 3.38Å; E436-L440 WeakPolarHBondContact O-CG 3.34Å; E436-L440 PolarHBondContact O-N 2.88Å
437Q93.5Very high93.9Very high122 Ų122113.3 Ų113.357%0.5753%0.534SS*.Hα-helixtrans-60.6-44.2174.9-72.6-176.3-1.500112.1T433 N434 N439 L440 L441T433-Q437 WeakPolarHBondContact O-CG 3.34Å; T433-Q437 PolarHBondContact O-N 3.29Å; N434-Q437 PolarHBondContact O-N 2.99Å; Q437-N439 PolarHBondContact O-N 3.38Å; Q437-L440 PolarHBondContact O-N 2.9Å; Q437-L441 WeakPolarHBondContact O-CG 3.45Å; Q437-L441 PolarHBondContact O-N 2.96Å
438E93.8Very high93.9Very high128 Ų128112 Ų11260%0.59853%0.534SS*.Hα-helixtrans-62.1-41.8177.1-170.7179.5-174.800112.2N434 R435 E436 L440 L441 T442N434-E438 PolarHBondContact O-N 3.47Å; R435-E438 PolarHBondContact O-N 3.42Å; E436-E438 PolarHBondContact O-N 3.01Å; E438-L440 PolarHBondContact O-N 2.92Å; E438-L441 PolarHBondContact O-N 2.76Å; E438-T442 WeakPolarHBondContact O-CB 3.46Å; E438-T442 PolarHBondContact O-N 3.21Å; E438-T442 PolarHBondContact O-OG1 3Å
439N94.8Very high93.9Very high108 Ų108111.7 Ų111.758%0.57854%0.537SS*.Hα-helixtrans-62.9-41.9175.5-73.3-28.1000111.9R435 E436 Q437 T442 R443R435-N439 WeakPolarHBondContact O-CB 3.48Å; R435-N439 VanDerWaalsContact O-CG 3.23Å; R435-N439 PolarHBondContact O-N 3.21Å; R435-N439 PolarHBondContact O-ND2 3.4Å; E436-N439 PolarHBondContact O-N 3.38Å; Q437-N439 PolarHBondContact O-N 3.38Å; N439-T442 PolarHBondContact O-N 2.94Å; N439-R443 WeakPolarHBondContact O-CB 3.35Å; N439-R443 PolarHBondContact O-N 3.3Å
440L95.9Very high93.8Very high117 Ų117111.6 Ų111.661%0.61354%0.537SS*.Hα-helixtrans-65-41.9176.9-71.9172.9000111.9E436 Q437 E438 R443 R444E436-L440 WeakPolarHBondContact O-CG 3.34Å; E436-L440 PolarHBondContact O-N 2.88Å; Q437-L440 PolarHBondContact O-N 2.9Å; E438-L440 PolarHBondContact O-N 2.92Å; L440-R443 PolarHBondContact O-N 3.18Å; L440-R444 WeakPolarHBondContact O-CB 3.43Å; L440-R444 PolarHBondContact O-N 3Å
441L95.7Very high93.7Very high106 Ų106110 Ų11056%0.55554%0.535SS*.Hα-helixtrans-63.6-43.6175.1-72.7173.5000111.7Q437 E438 R444 N445Q437-L441 WeakPolarHBondContact O-CG 3.45Å; Q437-L441 PolarHBondContact O-N 2.96Å; E438-L441 PolarHBondContact O-N 2.76Å; L441-R444 WeakPolarHBondContact O-CB 3.48Å; L441-R444 PolarHBondContact O-N 3.34Å; L441-N445 PolarHBondContact O-N 2.96Å; L441-N445 PolarHBondContact O-ND2 3.43Å
442T94.9Very high93.7Very high65 Ų65109.4 Ų109.440%0.39954%0.542SS..Hα-helixtrans-60.7-48.3176.5-58.30000110.9E438 N439 R444 N445 E446E438-T442 WeakPolarHBondContact O-CB 3.46Å; E438-T442 PolarHBondContact O-N 3.21Å; E438-T442 PolarHBondContact O-OG1 3Å; N439-T442 PolarHBondContact O-N 2.94Å; T442-R444 VanDerWaalsContact C-N 3.34Å; T442-R444 PolarHBondContact O-N 2.98Å; T442-N445 WeakPolarHBondContact O-CB 3.2Å; T442-N445 PolarHBondContact O-N 3.43Å; T442-N445 VanDerWaalsContact O-N 3.14Å; T442-E446 WeakPolarHBondContact O-CG 3.39Å; T442-E446 PolarHBondContact O-N 2.96Å
443R95.1Very high93.9Very high166 Ų166111.3 Ų111.363%0.62655%0.549SS*.Hα-helixtrans-61.2-40.6176.9-171.4175-171.7178.13.2112.3N439 L440 N445 E446 L447N439-R443 WeakPolarHBondContact O-CB 3.35Å; N439-R443 PolarHBondContact O-N 3.3Å; L440-R443 PolarHBondContact O-N 3.18Å; R443-N445 VanDerWaalsContact C-N 3.35Å; R443-E446 PolarHBondContact O-N 3.31Å; R443-L447 HydrophobicContact CG-CD1 4.33Å; R443-L447 WeakPolarHBondContact O-CG 3.47Å; R443-L447 PolarHBondContact O-N 3.35Å
444R96.4Very high93.9Very high171 Ų171112.7 Ų112.765%0.64555%0.553SS**Hα-helixtrans-59.8-46.4174.2-177.6-174.3176.4105.3-0.9110.8L440 L441 T442 E446 L447 C448L440-R444 WeakPolarHBondContact O-CB 3.43Å; L440-R444 PolarHBondContact O-N 3Å; L441-R444 WeakPolarHBondContact O-CB 3.48Å; L441-R444 PolarHBondContact O-N 3.34Å; T442-R444 VanDerWaalsContact C-N 3.34Å; T442-R444 PolarHBondContact O-N 2.98Å; R444-E446 PolarHBondContact O-N 2.9Å; R444-L447 PolarHBondContact O-N 3.46Å; R444-C448 PolarHBondContact O-N 3.39Å; R444-C448 PolarHBondContact O-SG 3.39Å; R444-C448 VanDerWaalsContact O-SG 3.38Å
445N95.2Very high93.8Very high92 Ų92114 Ų11449%0.49256%0.56SS.*Hα-helixtrans-62.5-40.7178.7-73.4-27.8000112.3L441 T442 R443 C448 K449L441-N445 PolarHBondContact O-N 2.96Å; L441-N445 PolarHBondContact O-ND2 3.43Å; T442-N445 WeakPolarHBondContact O-CB 3.2Å; T442-N445 PolarHBondContact O-N 3.43Å; T442-N445 VanDerWaalsContact O-N 3.14Å; R443-N445 VanDerWaalsContact C-N 3.35Å; N445-C448 PolarHBondContact O-N 3.15Å; N445-K449 WeakPolarHBondContact O-CG 3.39Å; N445-K449 PolarHBondContact O-N 3.19Å
446E92.8Very high93.7Very high118 Ų118107.6 Ų107.655%0.55155%0.547SS*.Hα-helixtrans-62.4-46.2174.5-71174.6168.500112.3T442 R443 R444 C448 K449 Q450T442-E446 WeakPolarHBondContact O-CG 3.39Å; T442-E446 PolarHBondContact O-N 2.96Å; R443-E446 PolarHBondContact O-N 3.31Å; R444-E446 PolarHBondContact O-N 2.9Å; E446-C448 VanDerWaalsContact C-N 3.33Å; E446-C448 PolarHBondContact O-N 2.89Å; E446-K449 WeakPolarHBondContact O-CB 3.35Å; E446-K449 PolarHBondContact O-N 2.97Å; E446-Q450 PolarHBondContact O-N 3.1Å
447L94.2Very high93.5Very high95 Ų95104.8 Ų104.850%0.49754%0.537SS..Hα-helixtrans-62.8-39.7176.8-71.1172000111.7R443 R444 Q450 A451R443-L447 HydrophobicContact CG-CD1 4.33Å; R443-L447 WeakPolarHBondContact O-CG 3.47Å; R443-L447 PolarHBondContact O-N 3.35Å; R444-L447 PolarHBondContact O-N 3.46Å; L447-Q450 PolarHBondContact O-N 2.96Å; L447-A451 WeakPolarHBondContact O-CB 3.34Å; L447-A451 PolarHBondContact O-N 3.38Å
448C94.6Very high93Very high71 Ų71101.8 Ų101.848%0.4853%0.533SS..Hα-helixtrans-61.9-43.7173.4-75.30000112R444 N445 E446 Q450 A451 A452R444-C448 PolarHBondContact O-N 3.39Å; R444-C448 PolarHBondContact O-SG 3.39Å; R444-C448 VanDerWaalsContact O-SG 3.38Å; N445-C448 PolarHBondContact O-N 3.15Å; E446-C448 VanDerWaalsContact C-N 3.33Å; E446-C448 PolarHBondContact O-N 2.89Å; C448-Q450 PolarHBondContact O-N 3.34Å; C448-A451 PolarHBondContact O-N 2.88Å; C448-A452 WeakPolarHBondContact O-CB 3.45Å; C448-A452 PolarHBondContact O-N 3.3Å
449K92.7Very high92.6Very high155 Ų15597.5 Ų97.567%0.67452%0.517SS*.Hα-helixtrans-60.8-44.2175-72.2171-177.8176.50111.6N445 E446 A452 F453N445-K449 WeakPolarHBondContact O-CG 3.39Å; N445-K449 PolarHBondContact O-N 3.19Å; E446-K449 WeakPolarHBondContact O-CB 3.35Å; E446-K449 PolarHBondContact O-N 2.97Å; K449-A452 PolarHBondContact O-N 3.11Å; K449-F453 PolarHBondContact O-N 3.24Å
450Q91Very high92.1Very high116 Ų11695.8 Ų95.854%0.54251%0.513SS..Hα-helixtrans-65-41.7177.5-168.7179.627.700112E446 L447 C448 F453 N454E446-Q450 PolarHBondContact O-N 3.1Å; L447-Q450 PolarHBondContact O-N 2.96Å; C448-Q450 PolarHBondContact O-N 3.34Å; Q450-F453 PolarHBondContact O-N 3.35Å; Q450-N454 WeakPolarHBondContact O-CB 3.48Å; Q450-N454 VanDerWaalsContact O-CG 3.25Å; Q450-N454 PolarHBondContact O-N 3.49Å; Q450-N454 PolarHBondContact O-ND2 3.28Å
451A92.5Very high91.4Very high55 Ų5596.9 Ų96.946%0.45551%0.513SS..Hα-helixtrans-62.3-45.1176.200000111.7L447 C448 F453 N454 L455L447-A451 WeakPolarHBondContact O-CB 3.34Å; L447-A451 PolarHBondContact O-N 3.38Å; C448-A451 PolarHBondContact O-N 2.88Å; A451-F453 PolarHBondContact O-N 3.23Å; A451-N454 PolarHBondContact O-N 3.45Å; A451-L455 WeakPolarHBondContact O-CB 3.4Å; A451-L455 PolarHBondContact O-N 3.12Å
452A93.9Very high90.6Very high66 Ų6697.8 Ų97.855%0.54551%0.509SS..Hα-helixtrans-59.9-44.2176.400000112.1C448 K449 L455 G456C448-A452 WeakPolarHBondContact O-CB 3.45Å; C448-A452 PolarHBondContact O-N 3.3Å; K449-A452 PolarHBondContact O-N 3.11Å; A452-L455 PolarHBondContact O-N 3.21Å; A452-G456 PolarHBondContact O-N 2.9Å
453F92.6Very high89.9Confident148 Ų148100.5 Ų100.565%0.64952%0.519SS*.Hα-helixtrans-61-48.7175179.5-96000112.2K449 Q450 A451 L455 G456 V457K449-F453 PolarHBondContact O-N 3.24Å; Q450-F453 PolarHBondContact O-N 3.35Å; A451-F453 PolarHBondContact O-N 3.23Å; F453-L455 VanDerWaalsContact C-N 3.27Å; F453-L455 PolarHBondContact O-N 2.95Å; F453-G456 PolarHBondContact O-N 2.96Å; F453-G456 VanDerWaalsContact O-N 3.15Å; F453-V457 HydrophobicContact CD1-CG2 4.24Å; F453-V457 HydrophobicContact CE1-CG2 3.79Å; F453-V457 HydrophobicContact CE2-CG2 4.43Å; F453-V457 HydrophobicContact CZ-CG2 3.9Å; F453-V457 PolarHBondContact O-N 3.37Å
454N93.2Very high89Confident90 Ų90101 Ų10148%0.48153%0.525SS..Hα-helixtrans-59.8-39.1178-73.7-17.5000111.9Q450 A451 V457 A458Q450-N454 WeakPolarHBondContact O-CB 3.48Å; Q450-N454 VanDerWaalsContact O-CG 3.25Å; Q450-N454 PolarHBondContact O-N 3.49Å; Q450-N454 PolarHBondContact O-ND2 3.28Å; A451-N454 PolarHBondContact O-N 3.45Å; N454-V457 PolarHBondContact O-N 3.15Å; N454-A458 WeakPolarHBondContact O-CB 3.36Å; N454-A458 PolarHBondContact O-N 3.39Å
455L90.2Very high88Confident121 Ų12199.5 Ų99.563%0.63452%0.524SS*.Hα-helixtrans-65.6-40.9177-153121.8000111.4A451 A452 F453 A458 C459A451-L455 WeakPolarHBondContact O-CB 3.4Å; A451-L455 PolarHBondContact O-N 3.12Å; A452-L455 PolarHBondContact O-N 3.21Å; F453-L455 VanDerWaalsContact C-N 3.27Å; F453-L455 PolarHBondContact O-N 2.95Å; L455-A458 PolarHBondContact O-N 3.49Å; L455-C459 WeakPolarHBondContact O-CB 3.32Å; L455-C459 PolarHBondContact O-N 3.49Å; L455-C459 PolarHBondContact O-SG 3.06Å
456G90.2Very high87Confident35 Ų3598.2 Ų98.236%0.36152%0.522SS..Hα-helixtrans-60.8-48.8173.200000112.8A452 F453 A458 C459 S460A452-G456 PolarHBondContact O-N 2.9Å; F453-G456 PolarHBondContact O-N 2.96Å; F453-G456 VanDerWaalsContact O-N 3.15Å; G456-A458 VanDerWaalsContact C-N 3.34Å; G456-A458 PolarHBondContact O-N 3.4Å; G456-C459 PolarHBondContact O-N 2.94Å; G456-S460 PolarHBondContact O-N 3.47Å; G456-S460 PolarHBondContact O-OG 2.99Å
457V90Very high85.9Confident56 Ų56100.1 Ų100.134%0.33953%0.529SS..Hα-helixtrans-61.1-43177174.60000111.4F453 N454 S460 K461F453-V457 HydrophobicContact CD1-CG2 4.24Å; F453-V457 HydrophobicContact CE1-CG2 3.79Å; F453-V457 HydrophobicContact CE2-CG2 4.43Å; F453-V457 HydrophobicContact CZ-CG2 3.9Å; F453-V457 PolarHBondContact O-N 3.37Å; N454-V457 PolarHBondContact O-N 3.15Å; V457-S460 PolarHBondContact O-N 3.39Å; V457-K461 HydrophobicContact CG1-CD 4.42Å; V457-K461 WeakPolarHBondContact O-CG 3.44Å; V457-K461 PolarHBondContact O-N 3.21Å
458A83.9Confident84.4Confident58 Ų5899.7 Ų99.748%0.47953%0.53SS..Hα-helixtrans-63.6-42.5177.300000111.9N454 L455 G456 K461 R462N454-A458 WeakPolarHBondContact O-CB 3.36Å; N454-A458 PolarHBondContact O-N 3.39Å; L455-A458 PolarHBondContact O-N 3.49Å; G456-A458 VanDerWaalsContact C-N 3.34Å; G456-A458 PolarHBondContact O-N 3.4Å; A458-K461 PolarHBondContact O-N 3.43Å; A458-R462 WeakPolarHBondContact O-CB 3.34Å; A458-R462 PolarHBondContact O-N 2.95Å
459C84.8Confident82.8Confident38 Ų3899.2 Ų99.226%0.25752%0.523SS..Hα-helixtrans-61.9-44.4174.9-71.70000111.9L455 G456 R462 M463L455-C459 WeakPolarHBondContact O-CB 3.32Å; L455-C459 PolarHBondContact O-N 3.49Å; L455-C459 PolarHBondContact O-SG 3.06Å; G456-C459 PolarHBondContact O-N 2.94Å; C459-R462 WeakPolarHBondContact O-CB 3.45Å; C459-R462 PolarHBondContact O-N 3.19Å; C459-R462 PolarHBondContact SG-NH2 3.35Å; C459-R462 VanDerWaalsContact SG-NH2 3.43Å; C459-M463 WeakPolarHBondContact O-CG 3.48Å; C459-M463 PolarHBondContact O-N 2.87Å
460S85.1Confident81.2Confident72 Ų7296.9 Ų96.950%0.50352%0.523SS..Hα-helixtrans-63.4-43.4177-65.40000112.8G456 V457 R462 M463 K464G456-S460 PolarHBondContact O-N 3.47Å; G456-S460 PolarHBondContact O-OG 2.99Å; V457-S460 PolarHBondContact O-N 3.39Å; S460-R462 VanDerWaalsContact C-N 3.28Å; S460-R462 PolarHBondContact O-N 3.34Å; S460-M463 PolarHBondContact O-N 3.5Å; S460-K464 PolarHBondContact O-N 3.03Å; S460-K464 VanDerWaalsContact O-N 3.09Å
461K81.3Confident80Confident141 Ų14195.5 Ų95.561%0.61352%0.523SS*.Hα-helixtrans-61.2-37.6173.6-76.8-177.1177.7179.50111.8V457 A458 K465V457-K461 HydrophobicContact CG1-CD 4.42Å; V457-K461 WeakPolarHBondContact O-CG 3.44Å; V457-K461 PolarHBondContact O-N 3.21Å; A458-K461 PolarHBondContact O-N 3.43Å; K461-K465 WeakPolarHBondContact O-CG 3.27Å; K461-K465 PolarHBondContact O-N 3.29Å
462R77.9Confident78.7Confident124 Ų12498.5 Ų98.547%0.46853%0.53SS..Hα-helixtrans-65.7-46.4176.2-177.117763.4-156.3-2.7111.4A458 C459 S460 K464 K465 S466A458-R462 WeakPolarHBondContact O-CB 3.34Å; A458-R462 PolarHBondContact O-N 2.95Å; C459-R462 WeakPolarHBondContact O-CB 3.45Å; C459-R462 PolarHBondContact O-N 3.19Å; C459-R462 PolarHBondContact SG-NH2 3.35Å; C459-R462 VanDerWaalsContact SG-NH2 3.43Å; S460-R462 VanDerWaalsContact C-N 3.28Å; S460-R462 PolarHBondContact O-N 3.34Å; R462-K464 VanDerWaalsContact C-N 3.34Å; R462-K464 PolarHBondContact O-N 3.47Å; R462-K465 PolarHBondContact O-N 2.97Å; R462-K465 VanDerWaalsContact O-N 3.14Å; R462-S466 PolarHBondContact O-N 3.42Å; R462-S466 PolarHBondContact O-OG 2.94Å
463M79.4Confident76.8Confident123 Ų123103.3 Ų103.361%0.60654%0.535SS*.Hα-helixtrans-59.5-42.4178.5-74.4-69150.300112.3C459 S460 K465 S466 F467C459-M463 WeakPolarHBondContact O-CG 3.48Å; C459-M463 PolarHBondContact O-N 2.87Å; S460-M463 PolarHBondContact O-N 3.5Å; M463-K465 PolarHBondContact O-N 3.43Å; M463-S466 WeakPolarHBondContact CA-OG 3.41Å; M463-S466 PolarHBondContact O-N 2.95Å; M463-S466 PolarHBondContact O-OG 3.26Å; M463-F467 PolarHBondContact O-N 3.49Å
464K77Confident74.7Confident175 Ų175102.7 Ų102.776%0.76153%0.534SS*.Hα-helixtrans-63.8-38.1174.7-71.2-172.9177.5-1720113S460 R462S460-K464 PolarHBondContact O-N 3.03Å; S460-K464 VanDerWaalsContact O-N 3.09Å; R462-K464 VanDerWaalsContact C-N 3.34Å; R462-K464 PolarHBondContact O-N 3.47Å
465K75.9Confident72.7Confident141 Ų141104.2 Ų104.261%0.61355%0.547SS*.Hα-helixtrans-76.9-28.9179-78.2179.3167.8-171.90113.7E173 K461 R462 M463 F467E173-K465 IonicContact OE1-NZ 3.51Å; E173-K465 PolarHBondContact OE1-NZ 3.11Å; K461-K465 WeakPolarHBondContact O-CG 3.27Å; K461-K465 PolarHBondContact O-N 3.29Å; R462-K465 PolarHBondContact O-N 2.97Å; R462-K465 VanDerWaalsContact O-N 3.14Å; M463-K465 PolarHBondContact O-N 3.43Å; K465-F467 VanDerWaalsContact C-N 3.29Å
466S73.3Confident71.2Confident64 Ų64106.4 Ų106.445%0.44855%0.552SS.*Hα-helixtrans-76.6-18.2178.153.90000112.9R462 M463 V468R462-S466 PolarHBondContact O-N 3.42Å; R462-S466 PolarHBondContact O-OG 2.94Å; M463-S466 WeakPolarHBondContact CA-OG 3.41Å; M463-S466 PolarHBondContact O-N 2.95Å; M463-S466 PolarHBondContact O-OG 3.26Å; S466-V468 PolarHBondContact O-N 3.38Å
467F70Confident69.6Low159 Ų159111.5 Ų111.570%0.69757%0.569SS**  trans-69.496.4169.1-170.4-96.4000109M463 K465 D469M463-F467 PolarHBondContact O-N 3.49Å; K465-F467 VanDerWaalsContact C-N 3.29Å; F467-D469 HydrophobicContact CE1-CB 4.36Å
468V62.1Low67.6Low86 Ų86115.3 Ų115.352%0.52159%0.585SS.*  trans-92.2110.7169.7179.40000106.2S466 P470 Y473S466-V468 PolarHBondContact O-N 3.38Å; V468-P470 VanDerWaalsContact O-CD 3.24Å; V468-P470 WeakPolarHBondContact O-CD 3.47Å; V468-Y473 HydrophobicContact CG1-CD2 4.16Å; V468-Y473 HydrophobicContact CG1-CE2 3.66Å
469D61.1Low66.2Low61 Ų61119.6 Ų119.633%0.32660%0.6SS.*  trans-60.2117.2172.6-176.5-14.9000108.8F467 T471 I472F467-D469 HydrophobicContact CE1-CB 4.36Å; D469-T471 PolarHBondContact O-N 2.92Å; D469-T471 VanDerWaalsContact O-N 3.11Å; D469-T471 WeakPolarHBondContact OD1-CB 3.49Å; D469-T471 WeakPolarHBondContact OD1-CG2 3.32Å; D469-T471 PolarHBondContact OD1-N 2.86Å; D469-T471 PolarHBondContact OD1-OG1 3.34Å; D469-T471 PolarHBondContact OD2-OG1 2.82Å; D469-T471 VanDerWaalsContact OD2-OG1 3.07Å; D469-I472 HydrophobicContact CB-CD1 3.82Å; D469-I472 HydrophobicContact CB-CG1 4.02Å; D469-I472 PolarHBondContact O-N 3.44Å
470P60.9Low64.8Low106 Ų106126.4 Ų126.469%0.68863%0.625SS**G310 helixtrans-58.8-23-178.9-22.332.9000113.3V468 I472V468-P470 VanDerWaalsContact O-CD 3.24Å; V468-P470 WeakPolarHBondContact O-CD 3.47Å; P470-I472 VanDerWaalsContact C-N 3.29Å; P470-I472 PolarHBondContact O-N 2.99Å
471T65.5Low64.1Low87 Ų87133.2 Ų133.253%0.53464%0.64SS.*G310 helixtrans-71.2-21.5-178.265.40000113.3D469 Y473 Q474D469-T471 PolarHBondContact O-N 2.92Å; D469-T471 VanDerWaalsContact O-N 3.11Å; D469-T471 WeakPolarHBondContact OD1-CB 3.49Å; D469-T471 WeakPolarHBondContact OD1-CG2 3.32Å; D469-T471 PolarHBondContact OD1-N 2.86Å; D469-T471 PolarHBondContact OD1-OG1 3.34Å; D469-T471 PolarHBondContact OD2-OG1 2.82Å; D469-T471 VanDerWaalsContact OD2-OG1 3.07Å; T471-Y473 PolarHBondContact O-N 2.95Å; T471-Q474 PolarHBondContact O-N 3.01Å
472I64.5Low63.1Low118 Ų118129.8 Ų129.861%0.60563%0.632SS**G310 helixtrans-65-25.4-179-63171.2000111.8D469 P470D469-I472 HydrophobicContact CB-CD1 3.82Å; D469-I472 HydrophobicContact CB-CG1 4.02Å; D469-I472 PolarHBondContact O-N 3.44Å; P470-I472 VanDerWaalsContact C-N 3.29Å; P470-I472 PolarHBondContact O-N 2.99Å
473Y54.6Low62.3Low167 Ų167129.5 Ų129.566%0.65565%0.646SS**G310 helixtrans-109.927.6-175.4-63.1-74.8000113.7V468 T471 T475V468-Y473 HydrophobicContact CG1-CD2 4.16Å; V468-Y473 HydrophobicContact CG1-CE2 3.66Å; T471-Y473 PolarHBondContact O-N 2.95Å; Y473-T475 PolarHBondContact O-N 3.2Å
474Q48.4Very low61.9Low134 Ų134129.1 Ų129.163%0.62665%0.651SS**  trans-71.685.7170.2-148.715311.700109T471 F476T471-Q474 PolarHBondContact O-N 3.01Å; Q474-F476 HydrophobicContact CB-CE2 4.42Å; Q474-F476 HydrophobicContact CG-CZ 4.26Å; Q474-F476 WeakPolarHBondContact O-CD2 3.34Å; Q474-F476 PolarHBondContact O-N 3.35Å; Q474-F476 VanDerWaalsContact O-N 3.17Å
475T50.3Low61.3Low122 Ų122123.8 Ų123.875%0.74863%0.634SS**  trans-73.3104.9176.554.50000108.6Y473 I477Y473-T475 PolarHBondContact O-N 3.2Å; T475-I477 PolarHBondContact O-N 3.09Å
476F59.7Low61Low167 Ų167123.7 Ų123.773%0.73264%0.639SS**  trans-73.8117.6170.7-63.6-82.7000109.4Q474 M478Q474-F476 HydrophobicContact CB-CE2 4.42Å; Q474-F476 HydrophobicContact CG-CZ 4.26Å; Q474-F476 WeakPolarHBondContact O-CD2 3.34Å; Q474-F476 PolarHBondContact O-N 3.35Å; Q474-F476 VanDerWaalsContact O-N 3.17Å; F476-M478 PolarHBondContact O-N 3.18Å
477I56.9Low61.1Low143 Ų143130.2 Ų130.273%0.73365%0.654SS**  trans-75.5109.6164.6-61.5175.1000106T475 D479T475-I477 PolarHBondContact O-N 3.09Å; I477-D479 PolarHBondContact O-N 3.14Å; I477-D479 VanDerWaalsContact O-N 3.13Å
478M46.3Very low61.6Low135 Ų135129.7 Ų129.767%0.66565%0.654SS**  trans-80.892.6178.9-66.4-111.2-77.800108.7F476 K480 P482F476-M478 PolarHBondContact O-N 3.18Å; M478-K480 PolarHBondContact O-N 3.19Å; M478-K480 VanDerWaalsContact O-N 3.11Å; M478-P482 HydrophobicContact CE-CG 3.85Å
479D55.7Low62.5Low149 Ų149129.3 Ų129.380%0.79765%0.652SS**SBendtrans-61.4-19.8-177.4-72.6-26.8000113.6I477I477-D479 PolarHBondContact O-N 3.14Å; I477-D479 VanDerWaalsContact O-N 3.13Å
480K56Low63.4Low181 Ų181131 Ų13179%0.78766%0.656SS**SBendtrans-142.3138.3172.1-63-177.4-176.1174.70110.4M478 P482M478-K480 PolarHBondContact O-N 3.19Å; M478-K480 VanDerWaalsContact O-N 3.11Å; K480-P482 WeakPolarHBondContact O-CD 3.38Å
481R68.6Low64.4Low215 Ų215131.1 Ų131.181%0.81165%0.648SS**  trans-65.3114171.8-177.1177-174.8172.41.7108.4
482P61.6Low65.3Low69 Ų69134.4 Ų134.445%0.44866%0.655SS.*  trans-63.7140.8171.925.4-30.8000108.8M478 K480 T484M478-P482 HydrophobicContact CE-CG 3.85Å; K480-P482 WeakPolarHBondContact O-CD 3.38Å; P482-T484 PolarHBondContact O-N 3.15Å
483P60.7Low66.5Low118 Ų118133.7 Ų133.777%0.76665%0.649SS**  trans-56.7131.1177.321.6-30.3000109.4P485P483-P485 WeakPolarHBondContact O-CD 3.43Å
484T70.6Confident68Low114 Ų114131.3 Ų131.370%0.69965%0.647SS**  trans-53.3111.3-178.6-53.30000109P482P482-T484 PolarHBondContact O-N 3.15Å
485P64.7Low70Confident64 Ų64131.3 Ų131.342%0.41665%0.645SS.*  trans-67153.4-176.6-23.838.3000110.4P483 R487 K490P483-P485 WeakPolarHBondContact O-CD 3.43Å; P485-R487 PolarHBondContact O-N 3.4Å; P485-K490 HydrophobicContact CB-CG 3.82Å; P485-K490 HydrophobicContact CG-CD 4.47Å; P485-K490 VanDerWaalsContact CG-CE 3.44Å; P485-K490 HydrophobicContact CG-CG 4.2Å
486L68.7Low72Confident138 Ų138129.4 Ų129.472%0.72363%0.633SS**  trans-52.5127.2177.8-74.4102.5000109.8Q488 T489L486-Q488 PolarHBondContact O-N 3.46Å; L486-T489 PolarHBondContact O-N 3.36Å
487R76.5Confident73.6Confident201 Ų201126 Ų12676%0.75862%0.619SS**Hα-helixtrans-48.7-37.6-172176.6-179.4150.4-177.5-5.4112.9P485 Q491P485-R487 PolarHBondContact O-N 3.4Å; R487-Q491 WeakPolarHBondContact O-CB 3.43Å; R487-Q491 PolarHBondContact O-N 3.42Å
488Q79.9Confident75.3Confident149 Ų149124 Ų12470%0.69661%0.609SS**Hα-helixtrans-66.7-39.4-176.6-64173.40.400113.1L486 Q491 K492L486-Q488 PolarHBondContact O-N 3.46Å; Q488-Q491 PolarHBondContact O-N 2.97Å; Q488-K492 WeakPolarHBondContact O-CG 3.49Å; Q488-K492 PolarHBondContact O-N 3.05Å; Q488-K492 VanDerWaalsContact O-N 3.11Å
489T81.1Confident77.6Confident78 Ų78121.5 Ų121.548%0.47960%0.599SS.*Hα-helixtrans-67.5-52179.9-44.90000110.5L486 Q491 K492 E493L486-T489 PolarHBondContact O-N 3.36Å; T489-Q491 VanDerWaalsContact C-N 3.27Å; T489-Q491 PolarHBondContact O-N 3.35Å; T489-K492 PolarHBondContact O-N 3.2Å; T489-E493 PolarHBondContact O-N 2.93Å; T489-E493 VanDerWaalsContact O-N 3.14Å
490K79.5Confident79.4Confident96 Ų96118.6 Ų118.642%0.41758%0.584SS.*Hα-helixtrans-57.7-39174.5-80-89.9-178.4-176.90112.4P485 L494P485-K490 HydrophobicContact CB-CG 3.82Å; P485-K490 HydrophobicContact CG-CD 4.47Å; P485-K490 VanDerWaalsContact CG-CE 3.44Å; P485-K490 HydrophobicContact CG-CG 4.2Å; K490-L494 VanDerWaalsContact O-CB 3.29Å; K490-L494 WeakPolarHBondContact O-CB 3.4Å; K490-L494 WeakPolarHBondContact O-CD1 3.46Å; K490-L494 WeakPolarHBondContact O-CG 3.38Å; K490-L494 PolarHBondContact O-N 3.25Å
491Q81.8Confident81.3Confident108 Ų108114.4 Ų114.451%0.50557%0.567SS.*Hα-helixtrans-68.7-35.9-179.1-173.7172.4300112.2R487 Q488 T489 K495R487-Q491 WeakPolarHBondContact O-CB 3.43Å; R487-Q491 PolarHBondContact O-N 3.42Å; Q488-Q491 PolarHBondContact O-N 2.97Å; T489-Q491 VanDerWaalsContact C-N 3.27Å; T489-Q491 PolarHBondContact O-N 3.35Å; Q491-K495 VanDerWaalsContact O-CB 3.29Å; Q491-K495 WeakPolarHBondContact O-CB 3.3Å; Q491-K495 PolarHBondContact O-N 3.46Å
492K86.3Confident82.5Confident156 Ų156107.7 Ų107.768%0.67855%0.549SS*.Hα-helixtrans-67.1-47174.1-74.3-179.4179.2-177.70111.4Q488 T489 L494 K495 T496Q488-K492 WeakPolarHBondContact O-CG 3.49Å; Q488-K492 PolarHBondContact O-N 3.05Å; Q488-K492 VanDerWaalsContact O-N 3.11Å; T489-K492 PolarHBondContact O-N 3.2Å; K492-L494 PolarHBondContact O-N 2.96Å; K492-K495 WeakPolarHBondContact O-CB 3.45Å; K492-K495 PolarHBondContact O-N 3.03Å; K492-T496 PolarHBondContact O-N 3.34Å; K492-T496 PolarHBondContact O-OG1 2.96Å
493E88.4Confident84.1Confident104 Ų104110.3 Ų110.349%0.48656%0.556SS.*Hα-helixtrans-58.7-46.4175.8-69.2167.8-172.400112.1T489 K495 T496 E497T489-E493 PolarHBondContact O-N 2.93Å; T489-E493 VanDerWaalsContact O-N 3.14Å; E493-K495 VanDerWaalsContact C-N 3.29Å; E493-K495 PolarHBondContact O-N 2.98Å; E493-T496 WeakPolarHBondContact CA-OG1 3.2Å; E493-T496 PolarHBondContact O-N 3.47Å; E493-T496 PolarHBondContact O-OG1 3.15Å; E493-E497 WeakPolarHBondContact O-CB 3.42Å; E493-E497 PolarHBondContact O-N 3.42Å
494L86.1Confident85.7Confident117 Ų117110.1 Ų110.161%0.61354%0.544SS*.Hα-helixtrans-65.1-34.2177.1-74.5167.7000112.1K490 K492 L498K490-L494 VanDerWaalsContact O-CB 3.29Å; K490-L494 WeakPolarHBondContact O-CB 3.4Å; K490-L494 WeakPolarHBondContact O-CD1 3.46Å; K490-L494 WeakPolarHBondContact O-CG 3.38Å; K490-L494 PolarHBondContact O-N 3.25Å; K492-L494 PolarHBondContact O-N 2.96Å; L494-L498 VanDerWaalsContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CB 3.45Å; L494-L498 PolarHBondContact O-N 3.45Å
495K90.1Very high86.8Confident134 Ų134113.7 Ų113.758%0.58355%0.545SS*.Hα-helixtrans-67.2-48.8175.4-179.2179.8175.7-179.40110.8Q491 K492 E493 E497 L498 D499Q491-K495 VanDerWaalsContact O-CB 3.29Å; Q491-K495 WeakPolarHBondContact O-CB 3.3Å; Q491-K495 PolarHBondContact O-N 3.46Å; K492-K495 WeakPolarHBondContact O-CB 3.45Å; K492-K495 PolarHBondContact O-N 3.03Å; E493-K495 VanDerWaalsContact C-N 3.29Å; E493-K495 PolarHBondContact O-N 2.98Å; K495-E497 VanDerWaalsContact C-N 3.28Å; K495-E497 PolarHBondContact O-N 2.93Å; K495-L498 WeakPolarHBondContact O-CB 3.46Å; K495-L498 PolarHBondContact O-N 3.31Å; K495-L498 VanDerWaalsContact O-N 3.17Å; K495-D499 VanDerWaalsContact O-CG 3.26Å; K495-D499 PolarHBondContact O-N 2.95Å
496T92.4Very high88.3Confident81 Ų81115.3 Ų115.350%0.49755%0.55SS..Hα-helixtrans-61.3-39.2178.248.80000111.8K492 E493 D499 N500K492-T496 PolarHBondContact O-N 3.34Å; K492-T496 PolarHBondContact O-OG1 2.96Å; E493-T496 WeakPolarHBondContact CA-OG1 3.2Å; E493-T496 PolarHBondContact O-N 3.47Å; E493-T496 PolarHBondContact O-OG1 3.15Å; T496-D499 PolarHBondContact O-N 3.31Å; T496-N500 PolarHBondContact O-N 3.39Å; T496-N500 PolarHBondContact O-ND2 2.91Å; T496-N500 PolarHBondContact O-OD1 3Å
497E93.6Very high89.5Confident95 Ų95112.1 Ų112.144%0.44454%0.539SS..Hα-helixtrans-66.3-40.3175.5-179.655.2-149.600111.9E493 K495 N500 Q501E493-E497 WeakPolarHBondContact O-CB 3.42Å; E493-E497 PolarHBondContact O-N 3.42Å; K495-E497 VanDerWaalsContact C-N 3.28Å; K495-E497 PolarHBondContact O-N 2.93Å; E497-N500 PolarHBondContact O-N 2.96Å; E497-Q501 WeakPolarHBondContact O-CG 3.36Å; E497-Q501 PolarHBondContact O-N 3.17Å; E497-Q501 PolarHBondContact OE1-NE2 3.36Å
498L92Very high90.4Very high101 Ų101107 Ų10753%0.52952%0.524SS..Hα-helixtrans-64.1-41.9174.6-176.164.8000111.7L494 K495 Q501 V502L494-L498 VanDerWaalsContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CB 3.45Å; L494-L498 PolarHBondContact O-N 3.45Å; K495-L498 WeakPolarHBondContact O-CB 3.46Å; K495-L498 PolarHBondContact O-N 3.31Å; K495-L498 VanDerWaalsContact O-N 3.17Å; L498-Q501 PolarHBondContact O-N 3.23Å; L498-V502 WeakPolarHBondContact O-CG2 3.44Å; L498-V502 PolarHBondContact O-N 2.86Å
499D94.3Very high91Very high83 Ų83105.6 Ų105.644%0.44452%0.519SS..Hα-helixtrans-61.7-44.9177.3-67.9-27.5000110.4K495 T496 Q501 V502 E503K495-D499 VanDerWaalsContact O-CG 3.26Å; K495-D499 PolarHBondContact O-N 2.95Å; T496-D499 PolarHBondContact O-N 3.31Å; D499-Q501 PolarHBondContact O-N 3.17Å; D499-V502 PolarHBondContact O-N 3.47Å; D499-E503 PolarHBondContact O-N 3.04Å
500N95.2Very high91.6Very high89 Ų89107.2 Ų107.248%0.47652%0.521SS..Hα-helixtrans-59.7-43.1174.1-68.2-16.4000112.4T496 E497 V502 E503 Q504T496-N500 PolarHBondContact O-N 3.39Å; T496-N500 PolarHBondContact O-ND2 2.91Å; T496-N500 PolarHBondContact O-OD1 3Å; E497-N500 PolarHBondContact O-N 2.96Å; N500-V502 VanDerWaalsContact C-N 3.31Å; N500-V502 PolarHBondContact O-N 3.14Å; N500-E503 PolarHBondContact O-N 3.32Å; N500-Q504 WeakPolarHBondContact O-CB 3.44Å; N500-Q504 PolarHBondContact O-N 3.4Å
501Q95.1Very high92.3Very high92 Ų92107.5 Ų107.543%0.4352%0.523SS..Hα-helixtrans-65-35.9177.8-74.2175.727.300112.3E497 L498 D499 R505E497-Q501 WeakPolarHBondContact O-CG 3.36Å; E497-Q501 PolarHBondContact O-N 3.17Å; E497-Q501 PolarHBondContact OE1-NE2 3.36Å; L498-Q501 PolarHBondContact O-N 3.23Å; D499-Q501 PolarHBondContact O-N 3.17Å; Q501-R505 WeakPolarHBondContact O-CB 3.35Å; Q501-R505 WeakPolarHBondContact O-CG 3.41Å; Q501-R505 PolarHBondContact O-N 3.03Å
502V93.3Very high92.8Very high74 Ų74107.5 Ų107.545%0.44853%0.526SS..Hα-helixtrans-67.2-44.8174.8171.10000110.4L498 D499 N500 R505 L506L498-V502 WeakPolarHBondContact O-CG2 3.44Å; L498-V502 PolarHBondContact O-N 2.86Å; D499-V502 PolarHBondContact O-N 3.47Å; N500-V502 VanDerWaalsContact C-N 3.31Å; N500-V502 PolarHBondContact O-N 3.14Å; V502-R505 PolarHBondContact O-N 3.47Å; V502-L506 HydrophobicContact CG1-CD1 4.03Å; V502-L506 HydrophobicContact CG1-CG 4.44Å; V502-L506 VanDerWaalsContact O-CG 3.31Å; V502-L506 WeakPolarHBondContact O-CG 3.47Å; V502-L506 PolarHBondContact O-N 3.1Å
503E95Very high93.2Very high125 Ų125106.5 Ų106.558%0.58452%0.522SS*.Hα-helixtrans-62.5-43.1177.5-171.1174.9-172.500112.2D499 N500 L506 S507D499-E503 PolarHBondContact O-N 3.04Å; N500-E503 PolarHBondContact O-N 3.32Å; E503-L506 PolarHBondContact O-N 2.88Å; E503-S507 WeakPolarHBondContact O-CB 3.37Å; E503-S507 PolarHBondContact O-N 2.98Å; E503-S507 PolarHBondContact O-OG 3.1Å
504Q95.1Very high93.4Very high113 Ų113106.7 Ų106.753%0.52852%0.523SS..Hα-helixtrans-59.9-48.6173.9-176-175.4-7.500111.2N500 L506 S507 E508N500-Q504 WeakPolarHBondContact O-CB 3.44Å; N500-Q504 PolarHBondContact O-N 3.4Å; Q504-L506 VanDerWaalsContact C-N 3.31Å; Q504-L506 PolarHBondContact O-N 3.13Å; Q504-S507 PolarHBondContact O-N 3.25Å; Q504-E508 HydrophobicContact CG-CG 4.49Å; Q504-E508 PolarHBondContact NE2-OE1 3.05Å; Q504-E508 WeakPolarHBondContact O-CG 3.31Å; Q504-E508 PolarHBondContact O-N 3.26Å
505R93.7Very high93.8Very high189 Ų189105.7 Ų105.771%0.71352%0.515SS*.Hα-helixtrans-58.7-41.5177.9-79.6-84.8-167.8146.31.9112.4Q501 V502 M509Q501-R505 WeakPolarHBondContact O-CB 3.35Å; Q501-R505 WeakPolarHBondContact O-CG 3.41Å; Q501-R505 PolarHBondContact O-N 3.03Å; V502-R505 PolarHBondContact O-N 3.47Å; R505-M509 WeakPolarHBondContact O-CB 3.31Å; R505-M509 PolarHBondContact O-N 3.14Å
506L95.1Very high93.8Very high98 Ų98105 Ų10551%0.51351%0.514SS..Hα-helixtrans-67.1-40.9177.9-72.3173.5000111.6V502 E503 Q504 M509 H510V502-L506 HydrophobicContact CG1-CD1 4.03Å; V502-L506 HydrophobicContact CG1-CG 4.44Å; V502-L506 VanDerWaalsContact O-CG 3.31Å; V502-L506 WeakPolarHBondContact O-CG 3.47Å; V502-L506 PolarHBondContact O-N 3.1Å; E503-L506 PolarHBondContact O-N 2.88Å; Q504-L506 VanDerWaalsContact C-N 3.31Å; Q504-L506 PolarHBondContact O-N 3.13Å; L506-M509 HydrophobicContact CD2-CE 3.87Å; L506-M509 PolarHBondContact O-N 2.89Å; L506-H510 PolarHBondContact O-N 2.99Å
507S95.3Very high93.9Very high72 Ų72105.5 Ų105.550%0.50351%0.513SS..Hα-helixtrans-64.9-44.6176.5-58.40000112E503 Q504 M509 H510 H511E503-S507 WeakPolarHBondContact O-CB 3.37Å; E503-S507 PolarHBondContact O-N 2.98Å; E503-S507 PolarHBondContact O-OG 3.1Å; Q504-S507 PolarHBondContact O-N 3.25Å; S507-M509 PolarHBondContact O-N 3.37Å; S507-H510 PolarHBondContact O-N 3.23Å; S507-H511 WeakPolarHBondContact O-CB 3.33Å; S507-H511 PolarHBondContact O-N 3.2Å
508E94.1Very high93.9Very high94 Ų94108 Ų10844%0.43952%0.519SS..Hα-helixtrans-60.8-43.4174.1-74.6175.1-171.500111.8Q504 H510 H511 L512Q504-E508 HydrophobicContact CG-CG 4.49Å; Q504-E508 PolarHBondContact NE2-OE1 3.05Å; Q504-E508 WeakPolarHBondContact O-CG 3.31Å; Q504-E508 PolarHBondContact O-N 3.26Å; E508-H510 PolarHBondContact O-N 3.29Å; E508-H511 PolarHBondContact O-N 3.42Å; E508-L512 WeakPolarHBondContact O-CG 3.29Å; E508-L512 PolarHBondContact O-N 3.37Å
509M93Very high94Very high119 Ų119108.4 Ų108.459%0.58652%0.522SS*.Hα-helixtrans-62.9-41.2176.4-177-170.765.800111.8R505 L506 S507 L512 K513R505-M509 WeakPolarHBondContact O-CB 3.31Å; R505-M509 PolarHBondContact O-N 3.14Å; L506-M509 HydrophobicContact CD2-CE 3.87Å; L506-M509 PolarHBondContact O-N 2.89Å; S507-M509 PolarHBondContact O-N 3.37Å; M509-L512 PolarHBondContact O-N 3.5Å; M509-K513 PolarHBondContact O-N 2.93Å; M509-K513 VanDerWaalsContact O-N 3.15Å
510H94Very high93.7Very high112 Ų112107.9 Ų107.952%0.51952%0.519SS..Hα-helixtrans-62.1-47.9175.4-172.7-91.5000111.4L506 S507 E508 L512 K513 E514L506-H510 PolarHBondContact O-N 2.99Å; S507-H510 PolarHBondContact O-N 3.23Å; E508-H510 PolarHBondContact O-N 3.29Å; H510-L512 VanDerWaalsContact C-N 3.35Å; H510-L512 PolarHBondContact O-N 3.46Å; H510-K513 WeakPolarHBondContact O-CB 3.43Å; H510-K513 PolarHBondContact O-N 2.92Å; H510-K513 VanDerWaalsContact O-N 3.15Å; H510-E514 IonicContact CE1-OE1 3.64Å; H510-E514 PolarHBondContact CE1-OE1 2.85Å; H510-E514 IonicContact CE1-OE2 3.61Å; H510-E514 IonicContact ND1-OE1 3.69Å; H510-E514 IonicContact ND1-OE2 2.79Å; H510-E514 PolarHBondContact O-N 3.27Å
511H94.8Very high93.7Very high102 Ų102110.1 Ų110.147%0.47252%0.524SS..Hα-helixtrans-60-42178.4-173.3-55000112.4S507 E508 K513 E514 Q515S507-H511 WeakPolarHBondContact O-CB 3.33Å; S507-H511 PolarHBondContact O-N 3.2Å; E508-H511 PolarHBondContact O-N 3.42Å; H511-K513 VanDerWaalsContact C-N 3.32Å; H511-K513 PolarHBondContact O-N 2.85Å; H511-E514 PolarHBondContact O-N 2.9Å; H511-Q515 VanDerWaalsContact CE1-CD 3.48Å; H511-Q515 PolarHBondContact CE1-NE2 3.42Å; H511-Q515 WeakPolarHBondContact O-CG 3.47Å; H511-Q515 PolarHBondContact O-N 2.84Å
512L92.7Very high93.6Very high108 Ų108109.1 Ų109.157%0.56552%0.521SS*.Hα-helixtrans-62.9-39.8176.6-74.5171.6000111.7E508 M509 H510 Q515 E516E508-L512 WeakPolarHBondContact O-CG 3.29Å; E508-L512 PolarHBondContact O-N 3.37Å; M509-L512 PolarHBondContact O-N 3.5Å; H510-L512 VanDerWaalsContact C-N 3.35Å; H510-L512 PolarHBondContact O-N 3.46Å; L512-Q515 PolarHBondContact O-N 3.17Å; L512-E516 PolarHBondContact O-N 3.27Å
513K93.7Very high93.4Very high135 Ų135112 Ų11259%0.58753%0.53SS*.Hα-helixtrans-66.3-39176.5-169.5178-178.2-177.70112.1M509 H510 H511 E516 L517M509-K513 PolarHBondContact O-N 2.93Å; M509-K513 VanDerWaalsContact O-N 3.15Å; H510-K513 WeakPolarHBondContact O-CB 3.43Å; H510-K513 PolarHBondContact O-N 2.92Å; H510-K513 VanDerWaalsContact O-N 3.15Å; H511-K513 VanDerWaalsContact C-N 3.32Å; H511-K513 PolarHBondContact O-N 2.85Å; K513-E516 PolarHBondContact O-N 2.98Å; K513-L517 VanDerWaalsContact O-CG 3.32Å; K513-L517 WeakPolarHBondContact O-CG 3.46Å; K513-L517 PolarHBondContact O-N 2.98Å
514E93.4Very high93.2Very high107 Ų107112.1 Ų112.150%0.553%0.53SS..Hα-helixtrans-65-40.1174-72.3-178143.900112.3H510 H511 L517 Y518H510-E514 IonicContact CE1-OE1 3.64Å; H510-E514 PolarHBondContact CE1-OE1 2.85Å; H510-E514 IonicContact CE1-OE2 3.61Å; H510-E514 IonicContact ND1-OE1 3.69Å; H510-E514 IonicContact ND1-OE2 2.79Å; H510-E514 PolarHBondContact O-N 3.27Å; H511-E514 PolarHBondContact O-N 2.9Å; E514-L517 PolarHBondContact O-N 3.38Å; E514-Y518 WeakPolarHBondContact O-CB 3.34Å; E514-Y518 PolarHBondContact O-N 3.46Å
515Q92.9Very high93.1Very high96 Ų96111.4 Ų111.445%0.44953%0.533SS..Hα-helixtrans-62.7-42.7174-77.2-177.2-29.200112.3H511 L512 Y518 L519H511-Q515 VanDerWaalsContact CE1-CD 3.48Å; H511-Q515 PolarHBondContact CE1-NE2 3.42Å; H511-Q515 WeakPolarHBondContact O-CG 3.47Å; H511-Q515 PolarHBondContact O-N 2.84Å; L512-Q515 PolarHBondContact O-N 3.17Å; Q515-Y518 WeakPolarHBondContact O-CB 3.34Å; Q515-Y518 PolarHBondContact O-N 2.93Å; Q515-L519 WeakPolarHBondContact O-CG 3.47Å; Q515-L519 PolarHBondContact O-N 2.97Å
516E90.4Very high93Very high121 Ų121109.8 Ų109.857%0.56553%0.532SS*.Hα-helixtrans-60-50.2176-172.8175.1-158.700110.9L512 K513 Y518 L519 D520L512-E516 PolarHBondContact O-N 3.27Å; K513-E516 PolarHBondContact O-N 2.98Å; E516-Y518 PolarHBondContact O-N 3.38Å; E516-L519 PolarHBondContact O-N 3.48Å; E516-L519 VanDerWaalsContact O-N 3.1Å; E516-D520 PolarHBondContact O-N 2.9Å
517L95.1Very high92.9Very high91 Ų91110.5 Ų110.548%0.47654%0.535SS..Hα-helixtrans-60.2-32.8175.9-70.1172.1000113.2K513 E514 K521K513-L517 VanDerWaalsContact O-CG 3.32Å; K513-L517 WeakPolarHBondContact O-CG 3.46Å; K513-L517 PolarHBondContact O-N 2.98Å; E514-L517 PolarHBondContact O-N 3.38Å; L517-K521 VanDerWaalsContact O-CG 3.3Å; L517-K521 WeakPolarHBondContact O-CG 3.32Å; L517-K521 PolarHBondContact O-N 3.49Å
518Y94.2Very high92.7Very high147 Ų147110.8 Ų110.858%0.57653%0.534SS*.Hα-helixtrans-70.6-42.7175.4178.1-101.9000112E514 Q515 E516 K521 L522E514-Y518 WeakPolarHBondContact O-CB 3.34Å; E514-Y518 PolarHBondContact O-N 3.46Å; Q515-Y518 WeakPolarHBondContact O-CB 3.34Å; Q515-Y518 PolarHBondContact O-N 2.93Å; E516-Y518 PolarHBondContact O-N 3.38Å; Y518-K521 PolarHBondContact O-N 3Å; Y518-L522 HydrophobicContact CD1-CD1 3.96Å; Y518-L522 HydrophobicContact CE1-CD1 3.38Å; Y518-L522 HydrophobicContact CE1-CG 4.11Å; Y518-L522 WeakPolarHBondContact O-CG 3.28Å; Y518-L522 PolarHBondContact O-N 3.45Å
519L92.9Very high92.6Very high110 Ų110112.6 Ų112.658%0.57654%0.54SS*.Hα-helixtrans-62.9-43.1175.6-70.8173.4000111.5Q515 E516 K521 L522 E523Q515-L519 WeakPolarHBondContact O-CG 3.47Å; Q515-L519 PolarHBondContact O-N 2.97Å; E516-L519 PolarHBondContact O-N 3.48Å; E516-L519 VanDerWaalsContact O-N 3.1Å; L519-K521 VanDerWaalsContact C-N 3.34Å; L519-K521 PolarHBondContact O-N 3.33Å; L519-L522 WeakPolarHBondContact O-CB 3.47Å; L519-L522 PolarHBondContact O-N 3.43Å; L519-L522 VanDerWaalsContact O-N 3.14Å; L519-E523 PolarHBondContact O-N 3.05Å
520D88.9Confident92.6Very high72 Ų72111.9 Ų111.939%0.38554%0.536SS..Hα-helixtrans-60.4-43176.7-72-4.3000111.7E516 L522 E523 Q524E516-D520 PolarHBondContact O-N 2.9Å; D520-L522 VanDerWaalsContact C-N 3.34Å; D520-L522 PolarHBondContact O-N 3.38Å; D520-E523 PolarHBondContact O-N 3.43Å; D520-Q524 VanDerWaalsContact O-CG 3.31Å; D520-Q524 WeakPolarHBondContact O-CG 3.44Å; D520-Q524 PolarHBondContact O-N 3.43Å
521K94.6Very high92.4Very high136 Ų136110.5 Ų110.559%0.59153%0.532SS*.Hα-helixtrans-62-41.5174.9-75.2173.4-176.4178.90111.9L517 Y518 L519 E523 Q524 V525L517-K521 VanDerWaalsContact O-CG 3.3Å; L517-K521 WeakPolarHBondContact O-CG 3.32Å; L517-K521 PolarHBondContact O-N 3.49Å; Y518-K521 PolarHBondContact O-N 3Å; L519-K521 VanDerWaalsContact C-N 3.34Å; L519-K521 PolarHBondContact O-N 3.33Å; K521-E523 VanDerWaalsContact C-N 3.35Å; K521-Q524 PolarHBondContact O-N 3Å; K521-V525 WeakPolarHBondContact O-CG2 3.34Å; K521-V525 PolarHBondContact O-N 2.9Å; K521-V525 VanDerWaalsContact O-N 3.08Å
522L93Very high92.4Very high71 Ų71111.1 Ų111.137%0.37254%0.535SS..Hα-helixtrans-64.5-39.7176.1-75.3178.4000112.1Y518 L519 D520 V525 K526Y518-L522 HydrophobicContact CD1-CD1 3.96Å; Y518-L522 HydrophobicContact CE1-CD1 3.38Å; Y518-L522 HydrophobicContact CE1-CG 4.11Å; Y518-L522 WeakPolarHBondContact O-CG 3.28Å; Y518-L522 PolarHBondContact O-N 3.45Å; L519-L522 WeakPolarHBondContact O-CB 3.47Å; L519-L522 PolarHBondContact O-N 3.43Å; L519-L522 VanDerWaalsContact O-N 3.14Å; D520-L522 VanDerWaalsContact C-N 3.34Å; D520-L522 PolarHBondContact O-N 3.38Å; L522-V525 PolarHBondContact O-N 3.25Å; L522-K526 WeakPolarHBondContact O-CG 3.37Å; L522-K526 PolarHBondContact O-N 3.08Å
523E89.7Confident92.4Very high134 Ų134108.6 Ų108.663%0.62652%0.521SS*.Hα-helixtrans-62.7-46.4175.5-175.7174.517800111.3L519 D520 K521 V525 K526 L527L519-E523 PolarHBondContact O-N 3.05Å; D520-E523 PolarHBondContact O-N 3.43Å; K521-E523 VanDerWaalsContact C-N 3.35Å; E523-V525 VanDerWaalsContact C-N 3.33Å; E523-V525 PolarHBondContact O-N 2.91Å; E523-K526 PolarHBondContact O-N 3.47Å; E523-L527 PolarHBondContact O-N 2.96Å
524Q90.9Very high92.4Very high127 Ų127107.4 Ų107.459%0.59352%0.518SS*.Hα-helixtrans-56.9-45.5175.7-71.9172.817.300111.9D520 K521 K526 L527 V528D520-Q524 VanDerWaalsContact O-CG 3.31Å; D520-Q524 WeakPolarHBondContact O-CG 3.44Å; D520-Q524 PolarHBondContact O-N 3.43Å; K521-Q524 PolarHBondContact O-N 3Å; Q524-K526 PolarHBondContact O-N 2.95Å; Q524-L527 PolarHBondContact O-N 3.41Å; Q524-V528 VanDerWaalsContact O-CG2 3.3Å; Q524-V528 WeakPolarHBondContact O-CG2 3.46Å; Q524-V528 PolarHBondContact O-N 3.41Å
525V93.5Very high92.5Very high98 Ų98109.8 Ų109.859%0.59453%0.527SS*.Hα-helixtrans-63.4-40.8177.8171.60000111.8K521 L522 E523 V528 K529K521-V525 WeakPolarHBondContact O-CG2 3.34Å; K521-V525 PolarHBondContact O-N 2.9Å; K521-V525 VanDerWaalsContact O-N 3.08Å; L522-V525 PolarHBondContact O-N 3.25Å; E523-V525 VanDerWaalsContact C-N 3.33Å; E523-V525 PolarHBondContact O-N 2.91Å; V525-V528 PolarHBondContact O-N 3.32Å; V525-K529 WeakPolarHBondContact O-CB 3.5Å; V525-K529 PolarHBondContact O-N 3.17Å
526K90.9Very high92.6Very high155 Ų155112.9 Ų112.967%0.67453%0.534SS*.Hα-helixtrans-64.3-43.1176.1-75-179.1-177.21780111.8L522 E523 Q524 V528 K529 E530L522-K526 WeakPolarHBondContact O-CG 3.37Å; L522-K526 PolarHBondContact O-N 3.08Å; E523-K526 PolarHBondContact O-N 3.47Å; Q524-K526 PolarHBondContact O-N 2.95Å; K526-V528 VanDerWaalsContact C-N 3.35Å; K526-K529 PolarHBondContact O-N 2.93Å; K526-E530 PolarHBondContact O-N 3.15Å
527L92.5Very high92.9Very high113 Ų113114.6 Ų114.659%0.59254%0.535SS*.Hα-helixtrans-62.1-44.1178-168.577.2000111.2E523 Q524 K529 E530 L531E523-L527 PolarHBondContact O-N 2.96Å; Q524-L527 PolarHBondContact O-N 3.41Å; L527-K529 VanDerWaalsContact C-N 3.34Å; L527-K529 PolarHBondContact O-N 3.33Å; L527-E530 PolarHBondContact O-N 2.8Å; L527-L531 WeakPolarHBondContact O-CG 3.3Å; L527-L531 PolarHBondContact O-N 3.33Å
528V92.5Very high92.8Very high78 Ų78114.9 Ų114.947%0.47354%0.54SS..Hα-helixtrans-58.9-46.1174.7170.70000110.8Q524 V525 K526 E530 L531 E532Q524-V528 VanDerWaalsContact O-CG2 3.3Å; Q524-V528 WeakPolarHBondContact O-CG2 3.46Å; Q524-V528 PolarHBondContact O-N 3.41Å; V525-V528 PolarHBondContact O-N 3.32Å; K526-V528 VanDerWaalsContact C-N 3.35Å; V528-E530 PolarHBondContact O-N 3.36Å; V528-L531 PolarHBondContact O-N 3.33Å; V528-E532 WeakPolarHBondContact O-CG 3.46Å; V528-E532 PolarHBondContact O-N 2.96Å
529K91.5Very high92.9Very high133 Ų133115.3 Ų115.358%0.57854%0.542SS*.Hα-helixtrans-62-41.2177.6-171177.7-178.9179.20112.6V525 K526 L527 E532 I533V525-K529 WeakPolarHBondContact O-CB 3.5Å; V525-K529 PolarHBondContact O-N 3.17Å; K526-K529 PolarHBondContact O-N 2.93Å; L527-K529 VanDerWaalsContact C-N 3.34Å; L527-K529 PolarHBondContact O-N 3.33Å; K529-E532 WeakPolarHBondContact O-CB 3.39Å; K529-E532 PolarHBondContact O-N 2.87Å; K529-I533 HydrophobicContact CG-CD1 4.25Å; K529-I533 VanDerWaalsContact O-CG1 3.28Å; K529-I533 WeakPolarHBondContact O-CG1 3.4Å; K529-I533 PolarHBondContact O-N 2.96Å
530E92.2Very high93Very high104 Ų104114.6 Ų114.649%0.48654%0.536SS..Hα-helixtrans-65.4-42.2176.5-170.459.1-144.200111.3K526 L527 V528 E532 I533 Q534K526-E530 PolarHBondContact O-N 3.15Å; L527-E530 PolarHBondContact O-N 2.8Å; V528-E530 PolarHBondContact O-N 3.36Å; E530-E532 VanDerWaalsContact C-N 3.31Å; E530-E532 PolarHBondContact O-N 3.15Å; E530-I533 PolarHBondContact O-N 3.31Å; E530-Q534 WeakPolarHBondContact O-CB 3.28Å; E530-Q534 PolarHBondContact O-N 3.19Å
531L90.2Very high93.3Very high83 Ų83113.8 Ų113.844%0.43554%0.536SS..Hα-helixtrans-61.8-38.2174-72.4172.6000112.1L527 V528 Q534 K535L527-L531 WeakPolarHBondContact O-CG 3.3Å; L527-L531 PolarHBondContact O-N 3.33Å; V528-L531 PolarHBondContact O-N 3.33Å; L531-Q534 PolarHBondContact O-N 3.01Å; L531-K535 WeakPolarHBondContact O-CB 3.5Å; L531-K535 VanDerWaalsContact O-CG 3.28Å; L531-K535 WeakPolarHBondContact O-CG 3.4Å; L531-K535 PolarHBondContact O-N 2.97Å
532E94.4Very high93.3Very high115 Ų115113.2 Ų113.254%0.53753%0.534SS..Hα-helixtrans-65-42.7174-74.1174.2179.500112.1V528 K529 E530 K535 R536V528-E532 WeakPolarHBondContact O-CG 3.46Å; V528-E532 PolarHBondContact O-N 2.96Å; K529-E532 WeakPolarHBondContact O-CB 3.39Å; K529-E532 PolarHBondContact O-N 2.87Å; E530-E532 VanDerWaalsContact C-N 3.31Å; E530-E532 PolarHBondContact O-N 3.15Å; E532-K535 PolarHBondContact O-N 2.99Å; E532-R536 WeakPolarHBondContact O-CB 3.49Å; E532-R536 PolarHBondContact O-N 2.93Å
533I93.5Very high93.5Very high54 Ų54114.3 Ų114.328%0.27754%0.539SS..Hα-helixtrans-62.1-45.2174.8-69.4164.7000110.2K529 E530 R536 R537K529-I533 HydrophobicContact CG-CD1 4.25Å; K529-I533 VanDerWaalsContact O-CG1 3.28Å; K529-I533 WeakPolarHBondContact O-CG1 3.4Å; K529-I533 PolarHBondContact O-N 2.96Å; E530-I533 PolarHBondContact O-N 3.31Å; I533-R536 WeakPolarHBondContact O-CB 3.43Å; I533-R536 PolarHBondContact O-N 3.22Å; I533-R537 WeakPolarHBondContact O-CG 3.39Å; I533-R537 PolarHBondContact O-N 2.84Å
534Q92.9Very high93.8Very high111 Ų111114 Ų11452%0.51954%0.538SS..Hα-helixtrans-62.7-46.3178.3-166.6-1751700111.3E530 L531 R536 R537 V538E530-Q534 WeakPolarHBondContact O-CB 3.28Å; E530-Q534 PolarHBondContact O-N 3.19Å; L531-Q534 PolarHBondContact O-N 3.01Å; Q534-R536 VanDerWaalsContact C-N 3.3Å; Q534-R536 PolarHBondContact O-N 2.95Å; Q534-R537 PolarHBondContact O-N 3.42Å; Q534-V538 WeakPolarHBondContact O-CG2 3.46Å; Q534-V538 PolarHBondContact O-N 2.94Å
535K95.9Very high93.9Very high157 Ų157113 Ų11368%0.68354%0.536SS*.Hα-helixtrans-58.5-41.8174.6-77.7177.1179.8178.50111.7L531 E532 Y539L531-K535 WeakPolarHBondContact O-CB 3.5Å; L531-K535 VanDerWaalsContact O-CG 3.28Å; L531-K535 WeakPolarHBondContact O-CG 3.4Å; L531-K535 PolarHBondContact O-N 2.97Å; E532-K535 PolarHBondContact O-N 2.99Å; K535-Y539 VanDerWaalsContact O-CB 3.31Å; K535-Y539 WeakPolarHBondContact O-CB 3.39Å; K535-Y539 PolarHBondContact O-N 3.42Å
536R95.8Very high93.8Very high160 Ų160113.5 Ų113.560%0.60453%0.532SS*.Hα-helixtrans-61.9-49.5176.3-173-171.8-60.2-171.1-0.5111.5E532 I533 Q534 V538 Y539 E540E532-R536 WeakPolarHBondContact O-CB 3.49Å; E532-R536 PolarHBondContact O-N 2.93Å; I533-R536 WeakPolarHBondContact O-CB 3.43Å; I533-R536 PolarHBondContact O-N 3.22Å; Q534-R536 VanDerWaalsContact C-N 3.3Å; Q534-R536 PolarHBondContact O-N 2.95Å; R536-V538 VanDerWaalsContact C-N 3.35Å; R536-V538 PolarHBondContact O-N 2.92Å; R536-Y539 WeakPolarHBondContact O-CB 3.38Å; R536-Y539 PolarHBondContact O-N 3.23Å; R536-Y539 VanDerWaalsContact O-N 3.13Å; R536-E540 WeakPolarHBondContact CD-OE1 3.45Å; R536-E540 HydrophobicContact CG-CG 4.35Å; R536-E540 VanDerWaalsContact CG-OE1 3.31Å; R536-E540 WeakPolarHBondContact CG-OE1 3.39Å; R536-E540 WeakPolarHBondContact O-CB 3.36Å; R536-E540 WeakPolarHBondContact O-CG 3.31Å; R536-E540 PolarHBondContact O-N 2.96Å
537R95.2Very high94Very high158 Ų158109.4 Ų109.460%0.59652%0.523SS*.Hα-helixtrans-59.3-44.2178.5-73.6-179.8-177.8161.43.3112.4I533 Q534 Y539 E540 S541I533-R537 WeakPolarHBondContact O-CG 3.39Å; I533-R537 PolarHBondContact O-N 2.84Å; Q534-R537 PolarHBondContact O-N 3.42Å; R537-Y539 VanDerWaalsContact C-N 3.31Å; R537-Y539 PolarHBondContact O-N 3.32Å; R537-E540 PolarHBondContact O-N 3.46Å; R537-S541 WeakPolarHBondContact O-CB 3.39Å; R537-S541 PolarHBondContact O-N 3.27Å
538V93.7Very high94Very high96 Ų96106.6 Ų106.658%0.58252%0.516SS*.Hα-helixtrans-63.8-40177172.10000110.8Q534 R536 K542Q534-V538 WeakPolarHBondContact O-CG2 3.46Å; Q534-V538 PolarHBondContact O-N 2.94Å; R536-V538 VanDerWaalsContact C-N 3.35Å; R536-V538 PolarHBondContact O-N 2.92Å; V538-K542 WeakPolarHBondContact O-CB 3.5Å; V538-K542 PolarHBondContact O-N 3.33Å
539Y95.2Very high94.1Very high156 Ų156110.4 Ų110.461%0.61252%0.523SS*.Hα-helixtrans-66.4-44.9176.4-178.4-98000112.5K535 R536 R537 K542 L543K535-Y539 VanDerWaalsContact O-CB 3.31Å; K535-Y539 WeakPolarHBondContact O-CB 3.39Å; K535-Y539 PolarHBondContact O-N 3.42Å; R536-Y539 WeakPolarHBondContact O-CB 3.38Å; R536-Y539 PolarHBondContact O-N 3.23Å; R536-Y539 VanDerWaalsContact O-N 3.13Å; R537-Y539 VanDerWaalsContact C-N 3.31Å; R537-Y539 PolarHBondContact O-N 3.32Å; Y539-K542 WeakPolarHBondContact O-CB 3.46Å; Y539-K542 PolarHBondContact O-N 3.45Å; Y539-L543 PolarHBondContact O-N 3.29Å
540E95.6Very high94.2Very high95 Ų95110.5 Ų110.544%0.44452%0.524SS..Hα-helixtrans-61.1-46.4175.6-74.5168.7179.400111.3R536 R537 K542 L543 Q544R536-E540 WeakPolarHBondContact CD-OE1 3.45Å; R536-E540 HydrophobicContact CG-CG 4.35Å; R536-E540 VanDerWaalsContact CG-OE1 3.31Å; R536-E540 WeakPolarHBondContact CG-OE1 3.39Å; R536-E540 WeakPolarHBondContact O-CB 3.36Å; R536-E540 WeakPolarHBondContact O-CG 3.31Å; R536-E540 PolarHBondContact O-N 2.96Å; R537-E540 PolarHBondContact O-N 3.46Å; E540-K542 VanDerWaalsContact C-N 3.33Å; E540-K542 PolarHBondContact O-N 3.36Å; E540-L543 WeakPolarHBondContact O-CB 3.46Å; E540-L543 PolarHBondContact O-N 2.91Å; E540-L543 VanDerWaalsContact O-N 3.16Å; E540-Q544 WeakPolarHBondContact O-CG 3.42Å; E540-Q544 PolarHBondContact O-N 2.94Å
541S94.7Very high94.3Very high56 Ų56112.3 Ų112.339%0.39253%0.532SS..Hα-helixtrans-60.8-41.9174.6177.60000111.8R537 L543 Q544 N545R537-S541 WeakPolarHBondContact O-CB 3.39Å; R537-S541 PolarHBondContact O-N 3.27Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 2.96Å; S541-Q544 PolarHBondContact O-N 2.94Å; S541-N545 WeakPolarHBondContact O-CB 3.28Å; S541-N545 PolarHBondContact O-N 3.26Å; S541-N545 PolarHBondContact O-ND2 2.87Å
542K95.9Very high94.5Very high124 Ų124110.6 Ų110.654%0.53953%0.53SS..Hα-helixtrans-61.4-41.9174.4-177.2-179.9178.2-179.20111.6V538 Y539 E540 N545 Q546V538-K542 WeakPolarHBondContact O-CB 3.5Å; V538-K542 PolarHBondContact O-N 3.33Å; Y539-K542 WeakPolarHBondContact O-CB 3.46Å; Y539-K542 PolarHBondContact O-N 3.45Å; E540-K542 VanDerWaalsContact C-N 3.33Å; E540-K542 PolarHBondContact O-N 3.36Å; K542-N545 PolarHBondContact O-N 3.18Å; K542-Q546 WeakPolarHBondContact O-CB 3.34Å; K542-Q546 WeakPolarHBondContact O-CG 3.35Å; K542-Q546 PolarHBondContact O-N 2.92Å
543L96.4Very high94.3Very high93 Ų93108.3 Ų108.349%0.48752%0.521SS..Hα-helixtrans-65.8-43.3177.9-17465.6000111.5Y539 E540 S541 Q546 S547Y539-L543 PolarHBondContact O-N 3.29Å; E540-L543 WeakPolarHBondContact O-CB 3.46Å; E540-L543 PolarHBondContact O-N 2.91Å; E540-L543 VanDerWaalsContact O-N 3.16Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 2.96Å; L543-Q546 WeakPolarHBondContact O-CB 3.34Å; L543-Q546 PolarHBondContact O-N 3.28Å; L543-S547 PolarHBondContact O-N 3.2Å; L543-S547 PolarHBondContact O-OG 3.3Å
544Q95.5Very high94.2Very high129 Ų129109.5 Ų109.560%0.60353%0.528SS*.Hα-helixtrans-59.7-48.3173.8-74.1176.9-1100111.3E540 S541 Q546 S547 A548E540-Q544 WeakPolarHBondContact O-CG 3.42Å; E540-Q544 PolarHBondContact O-N 2.94Å; S541-Q544 PolarHBondContact O-N 2.94Å; Q544-Q546 VanDerWaalsContact C-N 3.29Å; Q544-Q546 PolarHBondContact O-N 3.17Å; Q544-S547 WeakPolarHBondContact CA-OG 3.38Å; Q544-S547 PolarHBondContact O-N 3.45Å; Q544-S547 VanDerWaalsContact O-N 3.1Å; Q544-S547 PolarHBondContact O-OG 3.48Å; Q544-A548 WeakPolarHBondContact O-CB 3.41Å; Q544-A548 PolarHBondContact O-N 2.92Å
545N93.1Very high94.1Very high105 Ų105110.2 Ų110.256%0.56153%0.53SS*.Hα-helixtrans-59.9-39.2176.4-70.9-19.1000112S541 K542 Y549S541-N545 WeakPolarHBondContact O-CB 3.28Å; S541-N545 PolarHBondContact O-N 3.26Å; S541-N545 PolarHBondContact O-ND2 2.87Å; K542-N545 PolarHBondContact O-N 3.18Å; N545-Y549 VanDerWaalsContact O-CB 3.24Å; N545-Y549 WeakPolarHBondContact O-CB 3.47Å; N545-Y549 PolarHBondContact O-N 2.96Å
546Q92.7Very high93.8Very high108 Ų108108.9 Ų108.951%0.50553%0.526SS..Hα-helixtrans-64.4-42.6173.9-77.2-179.9-0.200112.2K542 L543 Q544 Y549 K550K542-Q546 WeakPolarHBondContact O-CB 3.34Å; K542-Q546 WeakPolarHBondContact O-CG 3.35Å; K542-Q546 PolarHBondContact O-N 2.92Å; L543-Q546 WeakPolarHBondContact O-CB 3.34Å; L543-Q546 PolarHBondContact O-N 3.28Å; Q544-Q546 VanDerWaalsContact C-N 3.29Å; Q544-Q546 PolarHBondContact O-N 3.17Å; Q546-Y549 PolarHBondContact O-N 3.29Å; Q546-K550 WeakPolarHBondContact O-CB 3.33Å; Q546-K550 PolarHBondContact O-N 2.82Å
547S94.2Very high93.3Very high70 Ų70106.3 Ų106.349%0.4953%0.527SS..Hα-helixtrans-66-44.3177.863.90000112.4L543 Q544 Y549 K550 E551L543-S547 PolarHBondContact O-N 3.2Å; L543-S547 PolarHBondContact O-OG 3.3Å; Q544-S547 WeakPolarHBondContact CA-OG 3.38Å; Q544-S547 PolarHBondContact O-N 3.45Å; Q544-S547 VanDerWaalsContact O-N 3.1Å; Q544-S547 PolarHBondContact O-OG 3.48Å; S547-Y549 PolarHBondContact O-N 2.94Å; S547-K550 WeakPolarHBondContact O-CB 3.45Å; S547-K550 PolarHBondContact O-N 3.45Å; S547-E551 WeakPolarHBondContact O-CB 3.38Å; S547-E551 PolarHBondContact O-N 2.93Å
548A93.5Very high92.9Very high53 Ų53107 Ų10744%0.43854%0.535SS..Hα-helixtrans-63.8-40.4176.100000111.7Q544 E551 A552Q544-A548 WeakPolarHBondContact O-CB 3.41Å; Q544-A548 PolarHBondContact O-N 2.92Å; A548-E551 PolarHBondContact O-N 2.91Å; A548-A552 WeakPolarHBondContact O-CB 3.47Å; A548-A552 PolarHBondContact O-N 2.9Å
549Y93.2Very high92.5Very high159 Ų159108.3 Ų108.362%0.62453%0.534SS*.Hα-helixtrans-64-41.4174.6-176.7-104000112N545 Q546 S547 A552 L553N545-Y549 VanDerWaalsContact O-CB 3.24Å; N545-Y549 WeakPolarHBondContact O-CB 3.47Å; N545-Y549 PolarHBondContact O-N 2.96Å; Q546-Y549 PolarHBondContact O-N 3.29Å; S547-Y549 PolarHBondContact O-N 2.94Å; Y549-A552 PolarHBondContact O-N 2.98Å; Y549-L553 HydrophobicContact CD1-CD1 3.95Å; Y549-L553 HydrophobicContact CD1-CG 4.48Å; Y549-L553 HydrophobicContact CE1-CD1 3.45Å; Y549-L553 VanDerWaalsContact CE1-CD1 3.45Å; Y549-L553 HydrophobicContact CE1-CG 4.11Å; Y549-L553 WeakPolarHBondContact O-CG 3.43Å; Y549-L553 PolarHBondContact O-N 2.89Å
550K93.8Very high91.6Very high134 Ų134107.9 Ų107.958%0.58354%0.536SS*.Hα-helixtrans-63.2-46.3174.8-176.9-176.3174.3-173.30111.5Q546 S547 A552 L553 D554Q546-K550 WeakPolarHBondContact O-CB 3.33Å; Q546-K550 PolarHBondContact O-N 2.82Å; S547-K550 WeakPolarHBondContact O-CB 3.45Å; S547-K550 PolarHBondContact O-N 3.45Å; K550-A552 VanDerWaalsContact C-N 3.31Å; K550-A552 PolarHBondContact O-N 3.13Å; K550-L553 PolarHBondContact O-N 3.41Å; K550-L553 VanDerWaalsContact O-N 3.16Å; K550-D554 PolarHBondContact O-N 3.25Å
551E94.1Very high90.4Very high142 Ų142108.8 Ų108.866%0.66455%0.55SS*.Hα-helixtrans-60.1-41.3177.2-174.3176.7-172.900111.7S547 A548 L553 D554 F555S547-E551 WeakPolarHBondContact O-CB 3.38Å; S547-E551 PolarHBondContact O-N 2.93Å; A548-E551 PolarHBondContact O-N 2.91Å; E551-L553 PolarHBondContact O-N 3.4Å; E551-D554 PolarHBondContact O-N 3.46Å; E551-F555 WeakPolarHBondContact O-CB 3.35Å; E551-F555 PolarHBondContact O-N 3.43Å
552A94.2Very high88.8Confident47 Ų47115 Ų11539%0.38857%0.573SS.*Hα-helixtrans-62.6-40.5174.200000112.6A548 Y549 K550 F555 Q556A548-A552 WeakPolarHBondContact O-CB 3.47Å; A548-A552 PolarHBondContact O-N 2.9Å; Y549-A552 PolarHBondContact O-N 2.98Å; K550-A552 VanDerWaalsContact C-N 3.31Å; K550-A552 PolarHBondContact O-N 3.13Å; A552-F555 PolarHBondContact O-N 3.3Å; A552-Q556 WeakPolarHBondContact O-CG 3.31Å; A552-Q556 PolarHBondContact O-N 3.48Å
553L91.7Very high86.7Confident68 Ų68117.4 Ų117.436%0.35659%0.586SS.*Hα-helixtrans-66.2-44.4174-73.9176.4000112Y549 K550 E551 F555 Q556 V557Y549-L553 HydrophobicContact CD1-CD1 3.95Å; Y549-L553 HydrophobicContact CD1-CG 4.48Å; Y549-L553 HydrophobicContact CE1-CD1 3.45Å; Y549-L553 VanDerWaalsContact CE1-CD1 3.45Å; Y549-L553 HydrophobicContact CE1-CG 4.11Å; Y549-L553 WeakPolarHBondContact O-CG 3.43Å; Y549-L553 PolarHBondContact O-N 2.89Å; K550-L553 PolarHBondContact O-N 3.41Å; K550-L553 VanDerWaalsContact O-N 3.16Å; E551-L553 PolarHBondContact O-N 3.4Å; L553-F555 VanDerWaalsContact C-N 3.27Å; L553-F555 PolarHBondContact O-N 3.04Å; L553-Q556 WeakPolarHBondContact O-CB 3.41Å; L553-Q556 PolarHBondContact O-N 3.16Å; L553-Q556 VanDerWaalsContact O-N 3.15Å; L553-V557 WeakPolarHBondContact O-CG2 3.38Å; L553-V557 PolarHBondContact O-N 3.45Å
554D91.8Very high84.5Confident78 Ų78120.5 Ų120.542%0.41760%0.602SS.*Hα-helixtrans-61.2-38.5176.7-74.6-20.9000110.8K550 E551 V557 K558K550-D554 PolarHBondContact O-N 3.25Å; E551-D554 PolarHBondContact O-N 3.46Å; D554-V557 PolarHBondContact O-N 2.82Å; D554-K558 WeakPolarHBondContact O-CB 3.32Å; D554-K558 WeakPolarHBondContact O-CG 3.27Å; D554-K558 PolarHBondContact O-N 3.2Å
555F90.9Very high82.1Confident127 Ų127120.1 Ų120.156%0.55761%0.61SS**Hα-helixtrans-62-47172.4-176.7-88.1000111.8E551 A552 L553 V557 K558 H559E551-F555 WeakPolarHBondContact O-CB 3.35Å; E551-F555 PolarHBondContact O-N 3.43Å; A552-F555 PolarHBondContact O-N 3.3Å; L553-F555 VanDerWaalsContact C-N 3.27Å; L553-F555 PolarHBondContact O-N 3.04Å; F555-V557 VanDerWaalsContact C-N 3.26Å; F555-V557 PolarHBondContact O-N 3.09Å; F555-K558 PolarHBondContact O-N 3.14Å; F555-H559 AromaticContact CD2-CD2 3.45Å; F555-H559 VanDerWaalsContact CD2-CD2 3.45Å; F555-H559 WeakPolarHBondContact CD2-CD2 3.45Å; F555-H559 AromaticContact CD2-NE2 3.8Å; F555-H559 HydrophobicContact CE1-CB 4.38Å; F555-H559 AromaticContact CE1-CD2 3.83Å; F555-H559 AromaticContact CE2-CD2 3.21Å; F555-H559 WeakPolarHBondContact CE2-CD2 3.49Å; F555-H559 AromaticContact CE2-NE2 3.33Å; F555-H559 VanDerWaalsContact CE2-NE2 3.33Å; F555-H559 WeakPolarHBondContact CE2-NE2 3.29Å; F555-H559 AromaticContact CG-CD2 3.86Å; F555-H559 AromaticContact CZ-CD2 3.41Å; F555-H559 VanDerWaalsContact CZ-CD2 3.41Å; F555-H559 WeakPolarHBondContact CZ-CD2 3.35Å; F555-H559 AromaticContact CZ-CG 3.99Å; F555-H559 AromaticContact CZ-NE2 3.81Å; F555-H559 WeakPolarHBondContact O-CB 3.45Å; F555-H559 PolarHBondContact O-CD2 3.37Å; F555-H559 PolarHBondContact O-N 2.94Å
556Q88.4Confident79.9Confident128 Ų128124.8 Ų124.860%0.59863%0.626SS**Hα-helixtrans-60.1-35.6176.3-73.8175.99.500112.6A552 L553 K560A552-Q556 WeakPolarHBondContact O-CG 3.31Å; A552-Q556 PolarHBondContact O-N 3.48Å; L553-Q556 WeakPolarHBondContact O-CB 3.41Å; L553-Q556 PolarHBondContact O-N 3.16Å; L553-Q556 VanDerWaalsContact O-N 3.15Å; Q556-K560 WeakPolarHBondContact O-CA 3.41Å; Q556-K560 PolarHBondContact O-N 2.91Å; Q556-K560 VanDerWaalsContact O-N 3.09Å
557V85.1Confident77.4Confident106 Ų106124.5 Ų124.564%0.64264%0.636SS**Hα-helixtrans-74.7-43.7177.4174.40000111.5L553 D554 F555 K560L553-V557 WeakPolarHBondContact O-CG2 3.38Å; L553-V557 PolarHBondContact O-N 3.45Å; D554-V557 PolarHBondContact O-N 2.82Å; F555-V557 VanDerWaalsContact C-N 3.26Å; F555-V557 PolarHBondContact O-N 3.09Å; V557-K560 VanDerWaalsContact O-CB 3.22Å; V557-K560 WeakPolarHBondContact O-CB 3.47Å; V557-K560 PolarHBondContact O-N 2.97Å
558K87.1Confident74.4Confident174 Ų174130.5 Ų130.576%0.75766%0.656SS**Hα-helixtrans-64.6-41.9177.5-77.2177.3-179177.20112.7D554 F555 K560D554-K558 WeakPolarHBondContact O-CB 3.32Å; D554-K558 WeakPolarHBondContact O-CG 3.27Å; D554-K558 PolarHBondContact O-N 3.2Å; F555-K558 PolarHBondContact O-N 3.14Å; K558-K560 VanDerWaalsContact C-N 3.29Å
559H84.7Confident71.7Confident122 Ų122132 Ų13257%0.56566%0.663SS**THydrogen-bonded Turntrans-95.222.1177.2-66.1-79000112.4F555 P561F555-H559 AromaticContact CD2-CD2 3.45Å; F555-H559 VanDerWaalsContact CD2-CD2 3.45Å; F555-H559 WeakPolarHBondContact CD2-CD2 3.45Å; F555-H559 AromaticContact CD2-NE2 3.8Å; F555-H559 HydrophobicContact CE1-CB 4.38Å; F555-H559 AromaticContact CE1-CD2 3.83Å; F555-H559 AromaticContact CE2-CD2 3.21Å; F555-H559 WeakPolarHBondContact CE2-CD2 3.49Å; F555-H559 AromaticContact CE2-NE2 3.33Å; F555-H559 VanDerWaalsContact CE2-NE2 3.33Å; F555-H559 WeakPolarHBondContact CE2-NE2 3.29Å; F555-H559 AromaticContact CG-CD2 3.86Å; F555-H559 AromaticContact CZ-CD2 3.41Å; F555-H559 VanDerWaalsContact CZ-CD2 3.41Å; F555-H559 WeakPolarHBondContact CZ-CD2 3.35Å; F555-H559 AromaticContact CZ-CG 3.99Å; F555-H559 AromaticContact CZ-NE2 3.81Å; F555-H559 WeakPolarHBondContact O-CB 3.45Å; F555-H559 PolarHBondContact O-CD2 3.37Å; F555-H559 PolarHBondContact O-N 2.94Å; H559-P561 WeakPolarHBondContact O-CD 3.3Å; H559-P561 VanDerWaalsContact O-N 3.09Å
560K78Confident68.8Low147 Ų147132 Ų13264%0.63967%0.674SS**PPolyproline II helixtrans-56.8120173.9-172.7175.9-177.8-174.40107.3Q556 V557 K558 E562Q556-K560 WeakPolarHBondContact O-CA 3.41Å; Q556-K560 PolarHBondContact O-N 2.91Å; Q556-K560 VanDerWaalsContact O-N 3.09Å; V557-K560 VanDerWaalsContact O-CB 3.22Å; V557-K560 WeakPolarHBondContact O-CB 3.47Å; V557-K560 PolarHBondContact O-N 2.97Å; K558-K560 VanDerWaalsContact C-N 3.29Å; K560-E562 PolarHBondContact O-N 3.48Å
561P69.8Low66.6Low114 Ų114130.9 Ų130.974%0.7468%0.683SS**PPolyproline II helixtrans-54.8129.2-176.1-7.47.9000109.2H559 H563H559-P561 WeakPolarHBondContact O-CD 3.3Å; H559-P561 VanDerWaalsContact O-N 3.09Å; P561-H563 PolarHBondContact O-N 3.1Å
562E59.6Low63.8Low187 Ų187132 Ų13287%0.87469%0.693SS**PPolyproline II helixtrans-50.5135.7171.6-111.7177.3170.100108.4K560 L564K560-E562 PolarHBondContact O-N 3.48Å; E562-L564 PolarHBondContact O-N 2.92Å
563H53.5Low61.6Low175 Ų175133.5 Ų133.581%0.8171%0.712SS**PPolyproline II helixtrans-49.8117.2174.3-81.6-81.6000107.8P561 P565P561-H563 PolarHBondContact O-N 3.1Å; H563-P565 VanDerWaalsContact O-N 3.15Å
564L49.8Very low59.4Low158 Ų158138.1 Ų138.183%0.82774%0.736SS**  trans-42.7126.2176.8-71.3167.5000108.3E562 K566E562-L564 PolarHBondContact O-N 2.92Å; L564-K566 PolarHBondContact O-N 3.48Å; L564-K566 VanDerWaalsContact O-N 3.11Å
565P45.4Very low56.7Low121 Ų121141.7 Ų141.779%0.78675%0.753SS**  trans-53126.8177.918.8-28.6000107.2H563 S567H563-P565 VanDerWaalsContact O-N 3.15Å; P565-S567 PolarHBondContact O-N 3.36Å
566K45.3Very low54.3Low203 Ų203143 Ų14388%0.88377%0.765SS**  trans-52.2106.3179.2-71.9175.8-178.8173.90106.5L564 E568L564-K566 PolarHBondContact O-N 3.48Å; L564-K566 VanDerWaalsContact O-N 3.11Å; K566-E568 PolarHBondContact O-N 2.95Å
567S40.4Very low52Low102 Ų102147.4 Ų147.471%0.71378%0.776SS**  trans-53.8104.4178.6175.40000108.1P565 S569P565-S567 PolarHBondContact O-N 3.36Å; S567-S569 PolarHBondContact O-N 3.47Å; S567-S569 PolarHBondContact OG-OG 2.92Å
568E32.2Very low50Low196 Ų196149 Ų14992%0.91678%0.78SS**  trans-62.2101.1163.1-71.6-177.1162.600107.2K566K566-E568 PolarHBondContact O-N 2.95Å
569S36.1Very low47.9Very low84 Ų84148.3 Ų148.359%0.58778%0.777SS**  trans-157.186.8166.549.50000109.7S567S567-S569 PolarHBondContact O-N 3.47Å; S567-S569 PolarHBondContact OG-OG 2.92Å
570N33.7Very low46Very low159 Ų159147.2 Ų147.285%0.8578%0.779SS**  trans40.9110.2133.2-66.8-20.5000117.8
571S46.7Very low44.7Very low111 Ų111145.2 Ų145.278%0.77678%0.775SS**  trans65.756.4138.2-169.60000118
572L36Very low44.1Very low166 Ų166144.2 Ų144.287%0.86976%0.764SS**  trans-137.563.9145-74.7178.9000109.8L574L572-L574 PolarHBondContact O-N 3.44Å
573G46.9Very low44.8Very low77 Ų77141 Ų14179%0.79475%0.753SS**THydrogen-bonded Turntrans-69.937.3-177.600000116.2
574L46Very low46Very low165 Ų165140.6 Ų140.686%0.86475%0.748SS**THydrogen-bonded Turntrans-130.8-2.8176-72.7175.3000115.9L572L572-L574 PolarHBondContact O-N 3.44Å
575M34.9Very low47.3Very low154 Ų154139 Ų13976%0.75974%0.735SS**SBendtrans-93.6-22.6175.5-82.1-81.6-8200114.1R577M575-R577 VanDerWaalsContact C-N 3.34Å; M575-R577 PolarHBondContact O-N 3.33Å
576L39.8Very low48.9Very low154 Ų154136.9 Ų136.981%0.80672%0.716SS**G310 helixtrans-83.2-3.6-173.5-150.371.1000114.5
577R41.3Very low50.7Low221 Ų221131.5 Ų131.583%0.83470%0.697SS**G310 helixtrans-92.83.8179.1-106.1-177.1-176.8179.41.5115.6M575M575-R577 VanDerWaalsContact C-N 3.34Å; M575-R577 PolarHBondContact O-N 3.33Å
578L43.6Very low52.8Low138 Ų138132 Ų13272%0.72369%0.689SS**G310 helixtrans-87.5-5.4169.7-80.5165.8000114.1
579F42.9Very low55.2Low160 Ų160131.7 Ų131.770%0.70268%0.679SS**G310 helixtrans-102.937.6168.2-59.5-76.9000111.6D581F579-D581 PolarHBondContact O-N 3.03Å
580V43.8Very low57.6Low100 Ų100132 Ų13261%0.60667%0.674SS**  trans-67.797.3143.1-178.60000103.3N582V580-N582 PolarHBondContact O-N 3.37Å
581D52Low60.3Low104 Ų104130.2 Ų130.256%0.55666%0.664SS**  trans-51.192.4169.5-70.5-43.6000106.8F579 D583F579-D581 PolarHBondContact O-N 3.03Å; D581-D583 PolarHBondContact O-N 3.37Å
582N56.8Low62.3Low94 Ų94130.2 Ų130.250%0.50365%0.654SS.*  trans-58.4116.3159.8-77.4-32.1000103.2V580 K584 K585 L586V580-N582 PolarHBondContact O-N 3.37Å; N582-K584 HydrophobicContact CB-CB 4.38Å; N582-K584 CarbonylContact O-C 3.49Å; N582-K584 PolarHBondContact O-N 3.42Å; N582-K585 PolarHBondContact O-N 2.89Å; N582-L586 PolarHBondContact O-N 2.96Å
583D72.8Confident64.9Low120 Ų120125 Ų12564%0.64264%0.635SS**Hα-helixtrans-43.7-31.5175.7-69.8-39.3000111.2D581 L586 N587D581-D583 PolarHBondContact O-N 3.37Å; D583-L586 PolarHBondContact O-N 2.98Å; D583-N587 WeakPolarHBondContact O-CB 3.45Å; D583-N587 PolarHBondContact O-N 2.93Å; D583-N587 PolarHBondContact O-ND2 3.38Å
584K79.2Confident67.1Low165 Ų165127.2 Ų127.272%0.71762%0.622SS**Hα-helixtrans-51.9-53.2170-60.2-173.4179.2-177.20114.4N582 N587 E588N582-K584 HydrophobicContact CB-CB 4.38Å; N582-K584 CarbonylContact O-C 3.49Å; N582-K584 PolarHBondContact O-N 3.42Å; K584-N587 PolarHBondContact O-N 3.44Å; K584-E588 WeakPolarHBondContact O-CG 3.33Å; K584-E588 PolarHBondContact O-N 2.87Å
585K77.2Confident69.4Low125 Ų125122.7 Ų122.754%0.54361%0.605SS.*Hα-helixtrans-69.8-37-178.8-74.6-171.9177.2179.60112.2N582 E588 R589N582-K585 PolarHBondContact O-N 2.89Å; K585-E588 PolarHBondContact O-N 3.26Å; K585-R589 WeakPolarHBondContact O-CG 3.48Å; K585-R589 PolarHBondContact O-N 3.33Å
586L79.5Confident72.1Confident76 Ų76118.8 Ų118.840%0.39859%0.589SS.*Hα-helixtrans-65.3-44.4174.6-177.264000110.6N582 D583 E588 R589 N590N582-L586 PolarHBondContact O-N 2.96Å; D583-L586 PolarHBondContact O-N 2.98Å; L586-E588 PolarHBondContact O-N 3.37Å; L586-R589 PolarHBondContact O-N 2.87Å; L586-N590 PolarHBondContact O-N 3.34Å; L586-N590 PolarHBondContact O-ND2 3.27Å
587N83Confident74.6Confident90 Ų90116.9 Ų116.948%0.48158%0.576SS.*Hα-helixtrans-61.5-42174.4-75.1-22.6000112.1D583 K584 R589 N590 L591D583-N587 WeakPolarHBondContact O-CB 3.45Å; D583-N587 PolarHBondContact O-N 2.93Å; D583-N587 PolarHBondContact O-ND2 3.38Å; K584-N587 PolarHBondContact O-N 3.44Å; N587-R589 PolarHBondContact O-N 2.93Å; N587-N590 PolarHBondContact O-N 3.02Å; N587-L591 WeakPolarHBondContact O-CB 3.29Å; N587-L591 VanDerWaalsContact O-CG 3.28Å; N587-L591 WeakPolarHBondContact O-CG 3.5Å; N587-L591 PolarHBondContact O-N 2.89Å
588E84.4Confident77.1Confident114 Ų114111.6 Ų111.653%0.53356%0.561SS.*Hα-helixtrans-58.7-45.2173.4-78.9171-17300112K584 K585 L586 N590 L591 I592K584-E588 WeakPolarHBondContact O-CG 3.33Å; K584-E588 PolarHBondContact O-N 2.87Å; K585-E588 PolarHBondContact O-N 3.26Å; L586-E588 PolarHBondContact O-N 3.37Å; E588-N590 PolarHBondContact O-N 2.92Å; E588-L591 PolarHBondContact O-N 3.1Å; E588-I592 VanDerWaalsContact O-CG1 3.26Å; E588-I592 WeakPolarHBondContact O-CG1 3.5Å; E588-I592 PolarHBondContact O-N 3.46Å
589R82.3Confident79.5Confident189 Ų189111.4 Ų111.471%0.71356%0.556SS**Hα-helixtrans-63.4-41.1176.4-68.1179.699.286.10.4112.2K585 L586 N587 I592 A593K585-R589 WeakPolarHBondContact O-CG 3.48Å; K585-R589 PolarHBondContact O-N 3.33Å; L586-R589 PolarHBondContact O-N 2.87Å; N587-R589 PolarHBondContact O-N 2.93Å; R589-I592 PolarHBondContact O-N 3.16Å; R589-A593 WeakPolarHBondContact O-CB 3.45Å; R589-A593 PolarHBondContact O-N 2.96Å
590N86.2Confident81.9Confident91 Ų91109.3 Ų109.349%0.48755%0.549SS..Hα-helixtrans-64.6-40.4176.8-73.3-22.5000111.7L586 N587 E588 A593 K594L586-N590 PolarHBondContact O-N 3.34Å; L586-N590 PolarHBondContact O-ND2 3.27Å; N587-N590 PolarHBondContact O-N 3.02Å; E588-N590 PolarHBondContact O-N 2.92Å; N590-A593 PolarHBondContact O-N 3.34Å; N590-K594 VanDerWaalsContact O-CB 3.31Å; N590-K594 WeakPolarHBondContact O-CB 3.49Å; N590-K594 PolarHBondContact O-N 3.09Å
591L91.1Very high84.3Confident120 Ų120109.6 Ų109.663%0.62855%0.546SS*.Hα-helixtrans-64-43.4174.7-72.6171000111.7N587 E588 K594 S595N587-L591 WeakPolarHBondContact O-CB 3.29Å; N587-L591 VanDerWaalsContact O-CG 3.28Å; N587-L591 WeakPolarHBondContact O-CG 3.5Å; N587-L591 PolarHBondContact O-N 2.89Å; E588-L591 PolarHBondContact O-N 3.1Å; L591-K594 PolarHBondContact O-N 3.35Å; L591-S595 WeakPolarHBondContact O-CB 3.24Å; L591-S595 PolarHBondContact O-N 3.48Å
592I89.4Confident86.4Confident111 Ų111110.9 Ų110.957%0.56955%0.547SS*.Hα-helixtrans-63.1-47.8175.4-66.2163.5000110.5E588 R589 K594 S595 V596E588-I592 VanDerWaalsContact O-CG1 3.26Å; E588-I592 WeakPolarHBondContact O-CG1 3.5Å; E588-I592 PolarHBondContact O-N 3.46Å; R589-I592 PolarHBondContact O-N 3.16Å; I592-K594 VanDerWaalsContact C-N 3.33Å; I592-K594 PolarHBondContact O-N 2.95Å; I592-S595 WeakPolarHBondContact O-CB 3.49Å; I592-S595 PolarHBondContact O-N 3.32Å; I592-V596 HydrophobicContact CG2-CG2 4.34Å; I592-V596 WeakPolarHBondContact O-CG2 3.33Å; I592-V596 PolarHBondContact O-N 2.93Å
593A90.2Very high88.2Confident57 Ų57108.8 Ų108.847%0.47154%0.539SS..Hα-helixtrans-60.5-42.2179.600000111.9R589 N590 V596 Q597R589-A593 WeakPolarHBondContact O-CB 3.45Å; R589-A593 PolarHBondContact O-N 2.96Å; N590-A593 PolarHBondContact O-N 3.34Å; A593-V596 PolarHBondContact O-N 3.45Å; A593-Q597 WeakPolarHBondContact O-CB 3.5Å; A593-Q597 PolarHBondContact O-N 3.48Å
594K92.2Very high89.3Confident123 Ų123107.1 Ų107.154%0.53553%0.53SS..Hα-helixtrans-63.7-44175.1-169.2178.8178.5-175.70111.7N590 L591 I592 V596 Q597 E598N590-K594 VanDerWaalsContact O-CB 3.31Å; N590-K594 WeakPolarHBondContact O-CB 3.49Å; N590-K594 PolarHBondContact O-N 3.09Å; L591-K594 PolarHBondContact O-N 3.35Å; I592-K594 VanDerWaalsContact C-N 3.33Å; I592-K594 PolarHBondContact O-N 2.95Å; K594-V596 PolarHBondContact O-N 3.29Å; K594-Q597 PolarHBondContact O-N 2.9Å; K594-E598 WeakPolarHBondContact CE-OE1 3.46Å; K594-E598 WeakPolarHBondContact O-CB 3.47Å; K594-E598 WeakPolarHBondContact O-CG 3.5Å; K594-E598 PolarHBondContact O-N 2.7Å
595S93.8Very high90Very high70 Ų70103.1 Ų103.149%0.4951%0.513SS..Hα-helixtrans-61.3-41.6175.3178.80000112.5L591 I592 E598 H599L591-S595 WeakPolarHBondContact O-CB 3.24Å; L591-S595 PolarHBondContact O-N 3.48Å; I592-S595 WeakPolarHBondContact O-CB 3.49Å; I592-S595 PolarHBondContact O-N 3.32Å; S595-E598 PolarHBondContact O-N 3.42Å; S595-H599 WeakPolarHBondContact O-CB 3.43Å; S595-H599 PolarHBondContact O-N 3.1Å
596V92Very high90.8Very high73 Ų73101.4 Ų101.444%0.44251%0.508SS..Hα-helixtrans-64.3-43.9175.3171.10000111.1I592 A593 K594 H599 Q600I592-V596 HydrophobicContact CG2-CG2 4.34Å; I592-V596 WeakPolarHBondContact O-CG2 3.33Å; I592-V596 PolarHBondContact O-N 2.93Å; A593-V596 PolarHBondContact O-N 3.45Å; K594-V596 PolarHBondContact O-N 3.29Å; V596-H599 PolarHBondContact O-N 2.87Å; V596-Q600 HydrophobicContact CG1-CG 4.47Å; V596-Q600 WeakPolarHBondContact O-CG 3.43Å; V596-Q600 PolarHBondContact O-N 3.23Å
597Q92.5Very high91.6Very high114 Ų114102.6 Ų102.653%0.53351%0.514SS..Hα-helixtrans-61.9-45.2176.8-175.3-176.414.800111.6A593 K594 H599 Q600 L601A593-Q597 WeakPolarHBondContact O-CB 3.5Å; A593-Q597 PolarHBondContact O-N 3.48Å; K594-Q597 PolarHBondContact O-N 2.9Å; Q597-H599 VanDerWaalsContact C-N 3.31Å; Q597-H599 PolarHBondContact O-N 3.48Å; Q597-Q600 PolarHBondContact O-N 2.86Å; Q597-L601 HydrophobicContact CG-CD1 4.35Å; Q597-L601 WeakPolarHBondContact O-CG 3.43Å; Q597-L601 PolarHBondContact O-N 2.91Å
598E93.7Very high92.1Very high110 Ų110103.7 Ų103.751%0.51451%0.514SS..Hα-helixtrans-59.3-42.5175.3-74.5171.7-174.600111.2K594 S595 L601 K602K594-E598 WeakPolarHBondContact CE-OE1 3.46Å; K594-E598 WeakPolarHBondContact O-CB 3.47Å; K594-E598 WeakPolarHBondContact O-CG 3.5Å; K594-E598 PolarHBondContact O-N 2.7Å; S595-E598 PolarHBondContact O-N 3.42Å; E598-L601 PolarHBondContact O-N 2.94Å; E598-K602 WeakPolarHBondContact O-CB 3.46Å; E598-K602 PolarHBondContact O-N 2.93Å
599H94Very high92.7Very high134 Ų134101.2 Ų101.262%0.6250%0.504SS*.Hα-helixtrans-65.4-40.1176.1-166.5-81.5000112.7S595 V596 Q597 K602 S603S595-H599 WeakPolarHBondContact O-CB 3.43Å; S595-H599 PolarHBondContact O-N 3.1Å; V596-H599 PolarHBondContact O-N 2.87Å; Q597-H599 VanDerWaalsContact C-N 3.31Å; Q597-H599 PolarHBondContact O-N 3.48Å; H599-K602 PolarHBondContact O-N 3.46Å; H599-S603 WeakPolarHBondContact O-CB 3.41Å; H599-S603 PolarHBondContact O-N 3.37Å
600Q94.3Very high93.2Very high115 Ų11597.1 Ų97.154%0.53749%0.494SS..Hα-helixtrans-64.4-44.4175.3-74.6175.6-13.300111.9V596 Q597 K602 S603 I604V596-Q600 HydrophobicContact CG1-CG 4.47Å; V596-Q600 WeakPolarHBondContact O-CG 3.43Å; V596-Q600 PolarHBondContact O-N 3.23Å; Q597-Q600 PolarHBondContact O-N 2.86Å; Q600-K602 VanDerWaalsContact C-N 3.34Å; Q600-K602 PolarHBondContact O-N 3.3Å; Q600-S603 PolarHBondContact O-N 2.97Å; Q600-I604 VanDerWaalsContact O-CG1 3.3Å; Q600-I604 WeakPolarHBondContact O-CG1 3.37Å; Q600-I604 PolarHBondContact O-N 2.89Å
601L94Very high93.6Very high106 Ų10698.6 Ų98.656%0.55550%0.496SS*.Hα-helixtrans-62.3-42176.3-71.3174.8000111.5Q597 E598 I604 E605Q597-L601 HydrophobicContact CG-CD1 4.35Å; Q597-L601 WeakPolarHBondContact O-CG 3.43Å; Q597-L601 PolarHBondContact O-N 2.91Å; E598-L601 PolarHBondContact O-N 2.94Å; L601-I604 PolarHBondContact O-N 3.35Å; L601-E605 PolarHBondContact O-N 3.26Å
602K95.3Very high93.8Very high132 Ų13298.8 Ų98.857%0.57449%0.488SS*.Hα-helixtrans-62.3-45.2175.2-171.3-179.2177.7-172.50111.9E598 H599 Q600 I604 E605 E606E598-K602 WeakPolarHBondContact O-CB 3.46Å; E598-K602 PolarHBondContact O-N 2.93Å; H599-K602 PolarHBondContact O-N 3.46Å; Q600-K602 VanDerWaalsContact C-N 3.34Å; Q600-K602 PolarHBondContact O-N 3.3Å; K602-I604 PolarHBondContact O-N 3.23Å; K602-E605 PolarHBondContact O-N 2.9Å; K602-E606 VanDerWaalsContact CE-OE1 3.26Å; K602-E606 WeakPolarHBondContact CE-OE1 3.5Å; K602-E606 WeakPolarHBondContact O-CG 3.29Å; K602-E606 PolarHBondContact O-N 3.47Å
603S94.9Very high94.1Very high49 Ų4998.5 Ų98.534%0.34349%0.488SS..Hα-helixtrans-63.2-40.5177.6-179.10000112.4H599 Q600 E605 E606 L607H599-S603 WeakPolarHBondContact O-CB 3.41Å; H599-S603 PolarHBondContact O-N 3.37Å; Q600-S603 PolarHBondContact O-N 2.97Å; S603-E605 VanDerWaalsContact C-N 3.34Å; S603-E605 PolarHBondContact O-N 3.24Å; S603-E606 PolarHBondContact O-N 2.85Å; S603-L607 WeakPolarHBondContact O-CG 3.38Å; S603-L607 PolarHBondContact O-N 2.98Å
604I95.3Very high94.3Very high85 Ų85101.7 Ų101.744%0.43649%0.493SS..Hα-helixtrans-62.6-42.1173.7-69.6166.1000110.9Q600 L601 K602 L607 K608Q600-I604 VanDerWaalsContact O-CG1 3.3Å; Q600-I604 WeakPolarHBondContact O-CG1 3.37Å; Q600-I604 PolarHBondContact O-N 2.89Å; L601-I604 PolarHBondContact O-N 3.35Å; K602-I604 PolarHBondContact O-N 3.23Å; I604-L607 PolarHBondContact O-N 2.92Å; I604-K608 HydrophobicContact CG2-CD 4.3Å; I604-K608 WeakPolarHBondContact O-CG 3.41Å; I604-K608 PolarHBondContact O-N 3.05Å
605E94.4Very high94.4Very high81 Ų8199.5 Ų99.538%0.37949%0.485SS..Hα-helixtrans-66.8-39.5178.2-170.156.5-147.100111.8L601 K602 S603 K608 N609 R612L601-E605 PolarHBondContact O-N 3.26Å; K602-E605 PolarHBondContact O-N 2.9Å; S603-E605 VanDerWaalsContact C-N 3.34Å; S603-E605 PolarHBondContact O-N 3.24Å; E605-K608 PolarHBondContact O-N 3.46Å; E605-N609 WeakPolarHBondContact O-CB 3.3Å; E605-N609 VanDerWaalsContact O-CG 3.28Å; E605-N609 PolarHBondContact O-N 3.23Å; E605-N609 PolarHBondContact O-ND2 3.06Å; E605-N609 VanDerWaalsContact O-ND2 3.11Å; E605-R612 IonicContact OE1-NH2 2.79Å; E605-R612 PolarHBondContact OE1-NH2 3.45Å
606E94.3Very high94.5Very high90 Ų90100.8 Ų100.842%0.42149%0.486SS..Hα-helixtrans-59.8-46.7172.3-74.7170.3-174.200111.6K602 S603 K608 N609 Q610K602-E606 VanDerWaalsContact CE-OE1 3.26Å; K602-E606 WeakPolarHBondContact CE-OE1 3.5Å; K602-E606 WeakPolarHBondContact O-CG 3.29Å; K602-E606 PolarHBondContact O-N 3.47Å; S603-E606 PolarHBondContact O-N 2.85Å; E606-K608 PolarHBondContact O-N 3.49Å; E606-N609 WeakPolarHBondContact O-CB 3.21Å; E606-N609 PolarHBondContact O-N 2.86Å; E606-Q610 WeakPolarHBondContact O-CG 3.39Å; E606-Q610 PolarHBondContact O-N 3.39Å
607L95.3Very high94.7Very high101 Ų101101.3 Ų101.353%0.52949%0.486SS..Hα-helixtrans-62.1-41175.2-72.6172.1000112.2S603 I604 N609 Q610 F611S603-L607 WeakPolarHBondContact O-CG 3.38Å; S603-L607 PolarHBondContact O-N 2.98Å; I604-L607 PolarHBondContact O-N 2.92Å; L607-N609 VanDerWaalsContact C-N 3.31Å; L607-N609 PolarHBondContact O-N 3.4Å; L607-Q610 PolarHBondContact O-N 3.39Å; L607-F611 WeakPolarHBondContact O-CB 3.39Å; L607-F611 PolarHBondContact O-N 3.39Å
608K95Very high94.7Very high113 Ų113101.3 Ų101.349%0.49149%0.486SS..Hα-helixtrans-63.6-36.4174.3-75.8175.9-178.8174.80112.4I604 E605 E606 R612I604-K608 HydrophobicContact CG2-CD 4.3Å; I604-K608 WeakPolarHBondContact O-CG 3.41Å; I604-K608 PolarHBondContact O-N 3.05Å; E605-K608 PolarHBondContact O-N 3.46Å; E606-K608 PolarHBondContact O-N 3.49Å; K608-R612 WeakPolarHBondContact O-CB 3.43Å; K608-R612 WeakPolarHBondContact O-CG 3.33Å; K608-R612 PolarHBondContact O-N 3.34Å; K608-R612 PolarHBondContact O-NE 3.49Å
609N95.5Very high94.7Very high61 Ų61102.1 Ų102.133%0.32649%0.488SS..Hα-helixtrans-70-43.4176-75.8-35.8000111.1E605 E606 L607 R612 N613E605-N609 WeakPolarHBondContact O-CB 3.3Å; E605-N609 VanDerWaalsContact O-CG 3.28Å; E605-N609 PolarHBondContact O-N 3.23Å; E605-N609 PolarHBondContact O-ND2 3.06Å; E605-N609 VanDerWaalsContact O-ND2 3.11Å; E606-N609 WeakPolarHBondContact O-CB 3.21Å; E606-N609 PolarHBondContact O-N 2.86Å; L607-N609 VanDerWaalsContact C-N 3.31Å; L607-N609 PolarHBondContact O-N 3.4Å; N609-R612 PolarHBondContact O-N 2.95Å; N609-R612 PolarHBondContact OD1-NH2 3.02Å; N609-N613 WeakPolarHBondContact O-CB 3.45Å; N609-N613 PolarHBondContact O-N 3Å; N609-N613 PolarHBondContact O-ND2 2.86Å
610Q93.7Very high94.7Very high104 Ų104100.3 Ų100.349%0.48648%0.48SS..Hα-helixtrans-58.4-50.7174.4-73.4173.52.900111.1E606 L607 R612 N613 E614E606-Q610 WeakPolarHBondContact O-CG 3.39Å; E606-Q610 PolarHBondContact O-N 3.39Å; L607-Q610 PolarHBondContact O-N 3.39Å; Q610-R612 VanDerWaalsContact C-N 3.34Å; Q610-R612 PolarHBondContact O-N 3.48Å; Q610-N613 WeakPolarHBondContact O-CB 3.35Å; Q610-N613 PolarHBondContact O-N 2.92Å; Q610-N613 VanDerWaalsContact O-N 3.09Å; Q610-E614 WeakPolarHBondContact O-CG 3.46Å; Q610-E614 PolarHBondContact O-N 3.42Å
611F95.8Very high94.7Very high121 Ų121100 Ų10053%0.53148%0.478SS..Hα-helixtrans-60.6-40.8177.9-174-104.8000112.6L607 E614 Q615L607-F611 WeakPolarHBondContact O-CB 3.39Å; L607-F611 PolarHBondContact O-N 3.39Å; F611-E614 PolarHBondContact O-N 3.16Å; F611-Q615 HydrophobicContact CE1-CG 4.31Å; F611-Q615 HydrophobicContact CZ-CG 4.45Å; F611-Q615 WeakPolarHBondContact O-CG 3.39Å; F611-Q615 PolarHBondContact O-N 3.43Å
612R94.8Very high94.6Very high124 Ų124100.1 Ų100.147%0.46848%0.476SS..Hα-helixtrans-61.8-42.1173.2-86.2-178.1-78.5174.8-13.3112.3E605 K608 N609 Q610 Q615 L616E605-R612 IonicContact OE1-NH2 2.79Å; E605-R612 PolarHBondContact OE1-NH2 3.45Å; K608-R612 WeakPolarHBondContact O-CB 3.43Å; K608-R612 WeakPolarHBondContact O-CG 3.33Å; K608-R612 PolarHBondContact O-N 3.34Å; K608-R612 PolarHBondContact O-NE 3.49Å; N609-R612 PolarHBondContact O-N 2.95Å; N609-R612 PolarHBondContact OD1-NH2 3.02Å; Q610-R612 VanDerWaalsContact C-N 3.34Å; Q610-R612 PolarHBondContact O-N 3.48Å; R612-Q615 PolarHBondContact O-N 3.46Å; R612-L616 WeakPolarHBondContact O-CB 3.38Å; R612-L616 PolarHBondContact O-N 3.21Å
613N95.2Very high94.6Very high106 Ų106101.4 Ų101.457%0.56748%0.481SS*.Hα-helixtrans-67.6-39.9179.3-71.6-15000111.9N609 Q610 L616 N617N609-N613 WeakPolarHBondContact O-CB 3.45Å; N609-N613 PolarHBondContact O-N 3Å; N609-N613 PolarHBondContact O-ND2 2.86Å; Q610-N613 WeakPolarHBondContact O-CB 3.35Å; Q610-N613 PolarHBondContact O-N 2.92Å; Q610-N613 VanDerWaalsContact O-N 3.09Å; N613-L616 PolarHBondContact O-N 3.05Å; N613-N617 WeakPolarHBondContact O-CB 3.37Å; N613-N617 PolarHBondContact O-N 3.09Å
614E94.2Very high94.6Very high124 Ų124105.1 Ų105.158%0.57949%0.491SS*.Hα-helixtrans-60.6-48.8174.2-73.4172.1179.900111.2Q610 F611 L616 N617 E618Q610-E614 WeakPolarHBondContact O-CG 3.46Å; Q610-E614 PolarHBondContact O-N 3.42Å; F611-E614 PolarHBondContact O-N 3.16Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 2.91Å; E614-N617 PolarHBondContact O-N 3.49Å; E614-E618 WeakPolarHBondContact O-CB 3.38Å; E614-E618 PolarHBondContact O-N 3.37Å
615Q95Very high94.5Very high76 Ų76104.4 Ų104.436%0.35549%0.491SS..Hα-helixtrans-60.9-37.5175.4-74.2-168.7-6.800113F611 R612 K619F611-Q615 HydrophobicContact CE1-CG 4.31Å; F611-Q615 HydrophobicContact CZ-CG 4.45Å; F611-Q615 WeakPolarHBondContact O-CG 3.39Å; F611-Q615 PolarHBondContact O-N 3.43Å; R612-Q615 PolarHBondContact O-N 3.46Å; Q615-K619 WeakPolarHBondContact O-CB 3.49Å; Q615-K619 VanDerWaalsContact O-CG 3.27Å; Q615-K619 WeakPolarHBondContact O-CG 3.45Å; Q615-K619 PolarHBondContact O-N 3.45Å
616L96Very high94.4Very high98 Ų98106.1 Ų106.151%0.51350%0.502SS..Hα-helixtrans-66.7-43.8177.3-174.365.6000110.9R612 N613 E614 K619 E620R612-L616 WeakPolarHBondContact O-CB 3.38Å; R612-L616 PolarHBondContact O-N 3.21Å; N613-L616 PolarHBondContact O-N 3.05Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 2.91Å; L616-K619 PolarHBondContact O-N 3.37Å; L616-E620 WeakPolarHBondContact O-CG 3.44Å; L616-E620 PolarHBondContact O-N 2.91Å
617N95.4Very high94.4Very high83 Ų83108 Ų10844%0.44451%0.509SS..Hα-helixtrans-63.6-41.8176.6-178.147.3000111.9N613 E614 E620 Q621N613-N617 WeakPolarHBondContact O-CB 3.37Å; N613-N617 PolarHBondContact O-N 3.09Å; E614-N617 PolarHBondContact O-N 3.49Å; N617-E620 PolarHBondContact O-N 2.89Å; N617-Q621 PolarHBondContact ND2-NE2 2.99Å; N617-Q621 WeakPolarHBondContact O-CG 3.49Å; N617-Q621 PolarHBondContact O-N 3.33Å
618E92.3Very high94.4Very high115 Ų115110.6 Ų110.654%0.53751%0.512SS..Hα-helixtrans-59.2-48.7173.8-173.6176.4-160.400111E614 E620 Q621 E622E614-E618 WeakPolarHBondContact O-CB 3.38Å; E614-E618 PolarHBondContact O-N 3.37Å; E618-E620 VanDerWaalsContact C-N 3.31Å; E618-E620 PolarHBondContact O-N 2.88Å; E618-Q621 WeakPolarHBondContact O-CB 3.48Å; E618-Q621 PolarHBondContact O-N 3.46Å; E618-Q621 VanDerWaalsContact O-N 3.1Å; E618-E622 WeakPolarHBondContact O-CG 3.41Å; E618-E622 PolarHBondContact O-N 3.05Å
619K93.5Very high94.4Very high127 Ų127109.2 Ų109.255%0.55251%0.512SS*.Hα-helixtrans-59.9-38175.2-74.9175179.9176.70113.1Q615 L616 K623Q615-K619 WeakPolarHBondContact O-CB 3.49Å; Q615-K619 VanDerWaalsContact O-CG 3.27Å; Q615-K619 WeakPolarHBondContact O-CG 3.45Å; Q615-K619 PolarHBondContact O-N 3.45Å; L616-K619 PolarHBondContact O-N 3.37Å; K619-K623 VanDerWaalsContact O-CB 3.3Å; K619-K623 WeakPolarHBondContact O-CB 3.34Å; K619-K623 PolarHBondContact O-N 2.85Å
620E95.2Very high94.3Very high96 Ų96112.2 Ų112.245%0.44952%0.524SS..Hα-helixtrans-66.6-38.6175.2-77.8-170.8176.100112.3L616 N617 E618 K624L616-E620 WeakPolarHBondContact O-CG 3.44Å; L616-E620 PolarHBondContact O-N 2.91Å; N617-E620 PolarHBondContact O-N 2.89Å; E618-E620 VanDerWaalsContact C-N 3.31Å; E618-E620 PolarHBondContact O-N 2.88Å; E620-K624 VanDerWaalsContact O-CG 3.29Å; E620-K624 WeakPolarHBondContact O-CG 3.33Å; E620-K624 PolarHBondContact O-N 2.94Å
621Q93.7Very high94.4Very high107 Ų107111.1 Ų111.150%0.552%0.522SS..Hα-helixtrans-65.4-46.8174.6-70.9178.515.700111.3N617 E618 K623 K624 V625N617-Q621 PolarHBondContact ND2-NE2 2.99Å; N617-Q621 WeakPolarHBondContact O-CG 3.49Å; N617-Q621 PolarHBondContact O-N 3.33Å; E618-Q621 WeakPolarHBondContact O-CB 3.48Å; E618-Q621 PolarHBondContact O-N 3.46Å; E618-Q621 VanDerWaalsContact O-N 3.1Å; Q621-K623 VanDerWaalsContact C-N 3.35Å; Q621-K623 PolarHBondContact O-N 3.06Å; Q621-K624 WeakPolarHBondContact O-CB 3.34Å; Q621-K624 PolarHBondContact O-N 3.13Å; Q621-K624 VanDerWaalsContact O-N 3.16Å; Q621-V625 WeakPolarHBondContact O-CG2 3.44Å; Q621-V625 PolarHBondContact O-N 3.39Å
622E91.8Very high94.3Very high109 Ų109110.2 Ų110.251%0.50952%0.522SS..Hα-helixtrans-57.3-47.6174.5-72.1-177.2161.500111.2E618 K624 V625 L626E618-E622 WeakPolarHBondContact O-CG 3.41Å; E618-E622 PolarHBondContact O-N 3.05Å; E622-K624 VanDerWaalsContact C-N 3.29Å; E622-K624 PolarHBondContact O-N 3.02Å; E622-V625 PolarHBondContact O-N 3.16Å; E622-V625 VanDerWaalsContact O-N 3.09Å; E622-L626 WeakPolarHBondContact O-CG 3.39Å; E622-L626 PolarHBondContact O-N 3.37Å
623K94.8Very high94.3Very high159 Ų159108.8 Ų108.869%0.69152%0.524SS*.Hα-helixtrans-58.4-39.3176.8-174.2179.4-179.5-1790112.2K619 Q621 K627K619-K623 VanDerWaalsContact O-CB 3.3Å; K619-K623 WeakPolarHBondContact O-CB 3.34Å; K619-K623 PolarHBondContact O-N 2.85Å; Q621-K623 VanDerWaalsContact C-N 3.35Å; Q621-K623 PolarHBondContact O-N 3.06Å; K623-K627 WeakPolarHBondContact O-CB 3.47Å; K623-K627 PolarHBondContact O-N 3.36Å
624K95.5Very high94.3Very high128 Ų128107.4 Ų107.456%0.55752%0.519SS*.Hα-helixtrans-67.3-38.3175.6-73.8169.1-175.2169.30112.1E620 Q621 E622 R628E620-K624 VanDerWaalsContact O-CG 3.29Å; E620-K624 WeakPolarHBondContact O-CG 3.33Å; E620-K624 PolarHBondContact O-N 2.94Å; Q621-K624 WeakPolarHBondContact O-CB 3.34Å; Q621-K624 PolarHBondContact O-N 3.13Å; Q621-K624 VanDerWaalsContact O-N 3.16Å; E622-K624 VanDerWaalsContact C-N 3.29Å; E622-K624 PolarHBondContact O-N 3.02Å; K624-R628 WeakPolarHBondContact O-CG 3.34Å; K624-R628 PolarHBondContact O-N 3.39Å; K624-R628 PolarHBondContact O-NE 3.36Å
625V92.6Very high94.4Very high70 Ų70105.5 Ų105.542%0.42452%0.516SS..Hα-helixtrans-65.7-48.4174176.50000110.1Q621 E622 K627 R628 V629Q621-V625 WeakPolarHBondContact O-CG2 3.44Å; Q621-V625 PolarHBondContact O-N 3.39Å; E622-V625 PolarHBondContact O-N 3.16Å; E622-V625 VanDerWaalsContact O-N 3.09Å; V625-K627 VanDerWaalsContact C-N 3.32Å; V625-K627 PolarHBondContact O-N 2.88Å; V625-R628 WeakPolarHBondContact O-CB 3.3Å; V625-R628 PolarHBondContact O-N 3.47Å; V625-R628 VanDerWaalsContact O-N 3.14Å; V625-V629 HydrophobicContact CG1-CG2 4.37Å; V625-V629 WeakPolarHBondContact O-CG2 3.43Å; V625-V629 PolarHBondContact O-N 2.87Å
626L93.3Very high94.4Very high117 Ų117105.9 Ų105.961%0.61352%0.52SS*.Hα-helixtrans-60.2-40.6179.3-70.1174.9000112.3E622 V629 Q630E622-L626 WeakPolarHBondContact O-CG 3.39Å; E622-L626 PolarHBondContact O-N 3.37Å; L626-V629 PolarHBondContact O-N 3.33Å; L626-Q630 WeakPolarHBondContact O-CB 3.49Å; L626-Q630 PolarHBondContact O-N 3.09Å
627K94.7Very high94.3Very high130 Ų130104.7 Ų104.757%0.56551%0.514SS*.Hα-helixtrans-62.2-44.2175.3-170.6178.4179.3-175.50111.8K623 V625 Q630 D631K623-K627 WeakPolarHBondContact O-CB 3.47Å; K623-K627 PolarHBondContact O-N 3.36Å; V625-K627 VanDerWaalsContact C-N 3.32Å; V625-K627 PolarHBondContact O-N 2.88Å; K627-Q630 WeakPolarHBondContact O-CB 3.39Å; K627-Q630 PolarHBondContact O-N 3.15Å; K627-D631 VanDerWaalsContact O-CG 3.26Å; K627-D631 PolarHBondContact O-N 3.31Å
628R94.7Very high94.3Very high155 Ų155104.1 Ų104.159%0.58551%0.513SS*.Hα-helixtrans-59.5-48.1174.6-75.5-175.5-75.5166.1-4.8111.7K624 V625 Q630 D631 D632K624-R628 WeakPolarHBondContact O-CG 3.34Å; K624-R628 PolarHBondContact O-N 3.39Å; K624-R628 PolarHBondContact O-NE 3.36Å; V625-R628 WeakPolarHBondContact O-CB 3.3Å; V625-R628 PolarHBondContact O-N 3.47Å; V625-R628 VanDerWaalsContact O-N 3.14Å; R628-Q630 VanDerWaalsContact C-N 3.28Å; R628-Q630 PolarHBondContact O-N 2.79Å; R628-D631 PolarHBondContact O-N 2.77Å; R628-D631 VanDerWaalsContact O-N 3.17Å; R628-D632 WeakPolarHBondContact O-CB 3.38Å; R628-D632 PolarHBondContact O-N 2.93Å
629V93.8Very high94.5Very high84 Ų84103.1 Ų103.151%0.50951%0.508SS..Hα-helixtrans-60.1-38.6177.31730000111.7V625 L626 L633V625-V629 HydrophobicContact CG1-CG2 4.37Å; V625-V629 WeakPolarHBondContact O-CG2 3.43Å; V625-V629 PolarHBondContact O-N 2.87Å; L626-V629 PolarHBondContact O-N 3.33Å; V629-L633 VanDerWaalsContact O-CB 3.29Å; V629-L633 WeakPolarHBondContact O-CB 3.34Å; V629-L633 PolarHBondContact O-N 2.95Å
630Q94.9Very high94.5Very high123 Ų123103.2 Ų103.258%0.57551%0.505SS*.Hα-helixtrans-64-47.3175.2-178.4-178.24.700111.5L626 K627 R628 L633 V634L626-Q630 WeakPolarHBondContact O-CB 3.49Å; L626-Q630 PolarHBondContact O-N 3.09Å; K627-Q630 WeakPolarHBondContact O-CB 3.39Å; K627-Q630 PolarHBondContact O-N 3.15Å; R628-Q630 VanDerWaalsContact C-N 3.28Å; R628-Q630 PolarHBondContact O-N 2.79Å; Q630-L633 PolarHBondContact O-N 3.46Å; Q630-V634 VanDerWaalsContact O-CG2 3.31Å; Q630-V634 WeakPolarHBondContact O-CG2 3.16Å; Q630-V634 PolarHBondContact O-N 3.11Å
631D94.9Very high94.5Very high82 Ų82104.9 Ų104.944%0.43951%0.511SS..Hα-helixtrans-63.3-41.5179.2-66.7-24.1000111.1K627 R628 V634 T635K627-D631 VanDerWaalsContact O-CG 3.26Å; K627-D631 PolarHBondContact O-N 3.31Å; R628-D631 PolarHBondContact O-N 2.77Å; R628-D631 VanDerWaalsContact O-N 3.17Å; D631-V634 PolarHBondContact O-N 2.87Å; D631-T635 WeakPolarHBondContact O-CB 3.34Å; D631-T635 PolarHBondContact O-N 3.17Å; D631-T635 PolarHBondContact O-OG1 3.3Å
632D94.7Very high94.6Very high101 Ų101105.7 Ų105.754%0.5452%0.515SS..Hα-helixtrans-62.5-46.4174.8-67.1-20.4000111R628 V634 T635 D636R628-D632 WeakPolarHBondContact O-CB 3.38Å; R628-D632 PolarHBondContact O-N 2.93Å; D632-V634 VanDerWaalsContact C-N 3.34Å; D632-V634 PolarHBondContact O-N 3.4Å; D632-T635 WeakPolarHBondContact O-CB 3.28Å; D632-T635 PolarHBondContact O-N 3.45Å; D632-T635 VanDerWaalsContact O-N 3.15Å; D632-D636 PolarHBondContact O-N 2.96Å
633L93.9Very high94.7Very high94 Ų94105.5 Ų105.549%0.49251%0.514SS..Hα-helixtrans-62.5-40.7178.4-178.565.6000112V629 Q630 T635 D636 I637V629-L633 VanDerWaalsContact O-CB 3.29Å; V629-L633 WeakPolarHBondContact O-CB 3.34Å; V629-L633 PolarHBondContact O-N 2.95Å; Q630-L633 PolarHBondContact O-N 3.46Å; L633-T635 VanDerWaalsContact C-N 3.33Å; L633-D636 PolarHBondContact O-N 2.85Å; L633-I637 HydrophobicContact CD1-CD1 4.43Å; L633-I637 HydrophobicContact CG-CD1 4.09Å; L633-I637 WeakPolarHBondContact O-CD1 3.44Å; L633-I637 WeakPolarHBondContact O-CG1 3.44Å; L633-I637 PolarHBondContact O-N 3.29Å
634V95.5Very high94.6Very high77 Ų77102.4 Ų102.447%0.46750%0.502SS..Hα-helixtrans-62.7-44.2175169.90000110.1Q630 D631 D632 I637 V638Q630-V634 VanDerWaalsContact O-CG2 3.31Å; Q630-V634 WeakPolarHBondContact O-CG2 3.16Å; Q630-V634 PolarHBondContact O-N 3.11Å; D631-V634 PolarHBondContact O-N 2.87Å; D632-V634 VanDerWaalsContact C-N 3.34Å; D632-V634 PolarHBondContact O-N 3.4Å; V634-I637 PolarHBondContact O-N 2.84Å; V634-V638 HydrophobicContact CG1-CG2 4.5Å; V634-V638 WeakPolarHBondContact O-CG2 3.22Å; V634-V638 PolarHBondContact O-N 3.41Å
635T95.6Very high94.6Very high84 Ų84102 Ų10252%0.51550%0.5SS..Hα-helixtrans-60.6-46.7177.3-56.20000111.4D631 D632 L633 I637 V638 Q639D631-T635 WeakPolarHBondContact O-CB 3.34Å; D631-T635 PolarHBondContact O-N 3.17Å; D631-T635 PolarHBondContact O-OG1 3.3Å; D632-T635 WeakPolarHBondContact O-CB 3.28Å; D632-T635 PolarHBondContact O-N 3.45Å; D632-T635 VanDerWaalsContact O-N 3.15Å; L633-T635 VanDerWaalsContact C-N 3.33Å; T635-I637 VanDerWaalsContact C-N 3.32Å; T635-I637 PolarHBondContact O-N 3Å; T635-V638 PolarHBondContact O-N 3.15Å; T635-Q639 WeakPolarHBondContact O-CB 3.33Å; T635-Q639 PolarHBondContact O-N 3.43Å
636D95Very high94.7Very high84 Ų84101.2 Ų101.245%0.44950%0.501SS..Hα-helixtrans-61.7-37.5176.5-80.1-2.7000112.8D632 L633 R640D632-D636 PolarHBondContact O-N 2.96Å; L633-D636 PolarHBondContact O-N 2.85Å; D636-R640 WeakPolarHBondContact O-CB 3.26Å; D636-R640 WeakPolarHBondContact O-CG 3.38Å; D636-R640 PolarHBondContact O-N 3.3Å; D636-R640 PolarHBondContact O-NE 3.36Å; D636-R640 VanDerWaalsContact O-NE 3.17Å
637I94.7Very high94.8Very high74 Ų74101 Ų10138%0.37950%0.498SS..Hα-helixtrans-66.1-47.2175-70.7165.2000109.8L633 V634 T635 R640 K641L633-I637 HydrophobicContact CD1-CD1 4.43Å; L633-I637 HydrophobicContact CG-CD1 4.09Å; L633-I637 WeakPolarHBondContact O-CD1 3.44Å; L633-I637 WeakPolarHBondContact O-CG1 3.44Å; L633-I637 PolarHBondContact O-N 3.29Å; V634-I637 PolarHBondContact O-N 2.84Å; T635-I637 VanDerWaalsContact C-N 3.32Å; T635-I637 PolarHBondContact O-N 3Å; I637-R640 VanDerWaalsContact CG1-NH2 3.33Å; I637-R640 PolarHBondContact O-N 3.34Å; I637-K641 HydrophobicContact CG2-CG 4.49Å; I637-K641 VanDerWaalsContact O-CG 3.27Å; I637-K641 WeakPolarHBondContact O-CG 3.44Å; I637-K641 PolarHBondContact O-N 3.25Å
638V95.7Very high94.9Very high71 Ų71101.5 Ų101.543%0.4350%0.497SS..Hα-helixtrans-60.8-47179170.50000110.5V634 T635 K641 Q642V634-V638 HydrophobicContact CG1-CG2 4.5Å; V634-V638 WeakPolarHBondContact O-CG2 3.22Å; V634-V638 PolarHBondContact O-N 3.41Å; T635-V638 PolarHBondContact O-N 3.15Å; V638-K641 PolarHBondContact O-N 3.42Å; V638-Q642 HydrophobicContact CG1-CG 4.4Å; V638-Q642 WeakPolarHBondContact O-CG 3.38Å; V638-Q642 PolarHBondContact O-N 3.43Å
639Q95.4Very high95Very high93 Ų9398.8 Ų98.844%0.43549%0.491SS..Hα-helixtrans-59-50.7177.5-177.9179.7-9.300111.5T635 K641 Q642 E643T635-Q639 WeakPolarHBondContact O-CB 3.33Å; T635-Q639 PolarHBondContact O-N 3.43Å; Q639-K641 PolarHBondContact O-N 2.98Å; Q639-Q642 WeakPolarHBondContact O-CB 3.36Å; Q639-Q642 PolarHBondContact O-N 2.78Å; Q639-E643 HydrophobicContact CG-CG 4.45Å; Q639-E643 WeakPolarHBondContact CG-OE1 3.2Å; Q639-E643 PolarHBondContact NE2-OE1 2.92Å; Q639-E643 WeakPolarHBondContact O-CG 3.41Å; Q639-E643 PolarHBondContact O-N 3.2Å
640R93.6Very high95.1Very high130 Ų130101.2 Ų101.249%0.49149%0.492SS..Hα-helixtrans-57.5-37.9176.5-79.5-178-72.9152.4-10112.3D636 I637 Q644D636-R640 WeakPolarHBondContact O-CB 3.26Å; D636-R640 WeakPolarHBondContact O-CG 3.38Å; D636-R640 PolarHBondContact O-N 3.3Å; D636-R640 PolarHBondContact O-NE 3.36Å; D636-R640 VanDerWaalsContact O-NE 3.17Å; I637-R640 VanDerWaalsContact CG1-NH2 3.33Å; I637-R640 PolarHBondContact O-N 3.34Å; R640-Q644 WeakPolarHBondContact O-CB 3.48Å; R640-Q644 WeakPolarHBondContact O-CG 3.37Å; R640-Q644 PolarHBondContact O-N 3.5Å
641K95.5Very high95.2Very high130 Ų13099.4 Ų99.457%0.56549%0.485SS*.Hα-helixtrans-69.2-38.1176.5-70.4-67.4-179.5-175.90112.1I637 V638 Q639 K645I637-K641 HydrophobicContact CG2-CG 4.49Å; I637-K641 VanDerWaalsContact O-CG 3.27Å; I637-K641 WeakPolarHBondContact O-CG 3.44Å; I637-K641 PolarHBondContact O-N 3.25Å; V638-K641 PolarHBondContact O-N 3.42Å; Q639-K641 PolarHBondContact O-N 2.98Å; K641-K645 WeakPolarHBondContact O-CB 3.47Å; K641-K645 PolarHBondContact O-N 2.94Å
642Q95.3Very high95.2Very high124 Ų124101.3 Ų101.358%0.57949%0.492SS*.Hα-helixtrans-64.5-47.1174.2-72.6174.7-4.600111.3V638 Q639 Q644 K645 A646V638-Q642 HydrophobicContact CG1-CG 4.4Å; V638-Q642 WeakPolarHBondContact O-CG 3.38Å; V638-Q642 PolarHBondContact O-N 3.43Å; Q639-Q642 WeakPolarHBondContact O-CB 3.36Å; Q639-Q642 PolarHBondContact O-N 2.78Å; Q642-Q644 PolarHBondContact O-N 3.19Å; Q642-K645 WeakPolarHBondContact O-CB 3.39Å; Q642-K645 PolarHBondContact O-N 3.48Å; Q642-K645 VanDerWaalsContact O-N 3.11Å; Q642-A646 WeakPolarHBondContact O-CB 3.43Å; Q642-A646 PolarHBondContact O-N 2.93Å
643E94.5Very high95.3Very high105 Ų105100.8 Ų100.849%0.49149%0.489SS..Hα-helixtrans-59.4-44.8176-71.1171.8-176.700111.7Q639 K645 A646 M647Q639-E643 HydrophobicContact CG-CG 4.45Å; Q639-E643 WeakPolarHBondContact CG-OE1 3.2Å; Q639-E643 PolarHBondContact NE2-OE1 2.92Å; Q639-E643 WeakPolarHBondContact O-CG 3.41Å; Q639-E643 PolarHBondContact O-N 3.2Å; E643-K645 VanDerWaalsContact C-N 3.32Å; E643-K645 PolarHBondContact O-N 3.32Å; E643-A646 PolarHBondContact O-N 3.38Å; E643-M647 WeakPolarHBondContact O-CB 3.36Å; E643-M647 PolarHBondContact O-N 2.87Å
644Q93.6Very high95.4Very high94 Ų9499.4 Ų99.444%0.43948%0.48SS..Hα-helixtrans-61.7-39.1174.5-75.8176.83.200112.4R640 Q642 R648R640-Q644 WeakPolarHBondContact O-CB 3.48Å; R640-Q644 WeakPolarHBondContact O-CG 3.37Å; R640-Q644 PolarHBondContact O-N 3.5Å; Q642-Q644 PolarHBondContact O-N 3.19Å; Q644-R648 WeakPolarHBondContact O-CG 3.35Å; Q644-R648 PolarHBondContact O-N 2.84Å
645K94.9Very high95.3Very high119 Ų119105.4 Ų105.452%0.51749%0.494SS..Hα-helixtrans-67.5-45.1176.7-174.7-178.2176.9-175.90111K641 Q642 E643 R648 Q649K641-K645 WeakPolarHBondContact O-CB 3.47Å; K641-K645 PolarHBondContact O-N 2.94Å; Q642-K645 WeakPolarHBondContact O-CB 3.39Å; Q642-K645 PolarHBondContact O-N 3.48Å; Q642-K645 VanDerWaalsContact O-N 3.11Å; E643-K645 VanDerWaalsContact C-N 3.32Å; E643-K645 PolarHBondContact O-N 3.32Å; K645-R648 PolarHBondContact O-N 2.91Å; K645-Q649 WeakPolarHBondContact O-CG 3.22Å; K645-Q649 PolarHBondContact O-N 2.74Å
646A95.5Very high95.4Very high54 Ų54106.6 Ų106.645%0.44650%0.497SS..Hα-helixtrans-60.8-45.417700000111.3Q642 E643 R648 Q649 Y650Q642-A646 WeakPolarHBondContact O-CB 3.43Å; Q642-A646 PolarHBondContact O-N 2.93Å; E643-A646 PolarHBondContact O-N 3.38Å; A646-R648 PolarHBondContact O-N 3.36Å; A646-Q649 PolarHBondContact O-N 3.28Å; A646-Y650 WeakPolarHBondContact O-CB 3.42Å; A646-Y650 PolarHBondContact O-N 2.94Å
647M95.4Very high95.5Very high113 Ų113108.2 Ų108.256%0.55750%0.5SS*.Hα-helixtrans-60.1-45.1175.3-17762.369.900111.9E643 Q649 Y650 L651E643-M647 WeakPolarHBondContact O-CB 3.36Å; E643-M647 PolarHBondContact O-N 2.87Å; M647-Q649 PolarHBondContact O-N 3.39Å; M647-Y650 PolarHBondContact O-N 2.86Å; M647-Y650 HydrophobicContact SD-CD1 4.49Å; M647-L651 HydrophobicContact CG-CD1 4.23Å; M647-L651 WeakPolarHBondContact O-CG 3.37Å; M647-L651 PolarHBondContact O-N 3.02Å; M647-L651 HydrophobicContact SD-CD1 4.47Å; M647-L651 HydrophobicContact SD-CG 4.45Å
648R96.4Very high95.5Very high141 Ų141107.4 Ų107.453%0.53251%0.505SS..Hα-helixtrans-61.1-44.1175.7-77.4-169.2-58.7-89.1-0.5112.1Q644 K645 A646 L651 Q652Q644-R648 WeakPolarHBondContact O-CG 3.35Å; Q644-R648 PolarHBondContact O-N 2.84Å; K645-R648 PolarHBondContact O-N 2.91Å; A646-R648 PolarHBondContact O-N 3.36Å; R648-L651 PolarHBondContact O-N 2.95Å; R648-Q652 WeakPolarHBondContact O-CB 3.36Å; R648-Q652 PolarHBondContact O-N 2.96Å
649Q95.6Very high95.5Very high98 Ų98107.8 Ų107.846%0.45851%0.51SS..Hα-helixtrans-63.6-42.8177.8-75177.6-26.100111.9K645 A646 M647 Q652 N653K645-Q649 WeakPolarHBondContact O-CG 3.22Å; K645-Q649 PolarHBondContact O-N 2.74Å; A646-Q649 PolarHBondContact O-N 3.28Å; M647-Q649 PolarHBondContact O-N 3.39Å; Q649-Q652 PolarHBondContact O-N 3.44Å; Q649-N653 VanDerWaalsContact O-CG 3.29Å; Q649-N653 PolarHBondContact O-N 3.45Å; Q649-N653 PolarHBondContact O-ND2 2.91Å
650Y96.6Very high95.5Very high135 Ų135108.3 Ų108.353%0.52951%0.513SS..Hα-helixtrans-57.9-51.1174.1171.9-101000111.4A646 M647 Q652 N653 E654A646-Y650 WeakPolarHBondContact O-CB 3.42Å; A646-Y650 PolarHBondContact O-N 2.94Å; M647-Y650 PolarHBondContact O-N 2.86Å; M647-Y650 HydrophobicContact SD-CD1 4.49Å; Y650-Q652 VanDerWaalsContact C-N 3.33Å; Y650-Q652 PolarHBondContact O-N 3.49Å; Y650-N653 PolarHBondContact O-N 2.9Å; Y650-E654 HydrophobicContact CD1-CG 4.41Å; Y650-E654 HydrophobicContact CD2-CG 4.34Å; Y650-E654 HydrophobicContact CE1-CG 3.93Å; Y650-E654 HydrophobicContact CE2-CG 3.85Å; Y650-E654 WeakPolarHBondContact O-CG 3.34Å; Y650-E654 PolarHBondContact O-N 2.88Å
651L96.2Very high95.6Very high84 Ų84106.4 Ų106.444%0.4451%0.512SS..Hα-helixtrans-62.2-38.9178.6-70.6173.2000112.4M647 R648 E654 W655M647-L651 HydrophobicContact CG-CD1 4.23Å; M647-L651 WeakPolarHBondContact O-CG 3.37Å; M647-L651 PolarHBondContact O-N 3.02Å; M647-L651 HydrophobicContact SD-CD1 4.47Å; M647-L651 HydrophobicContact SD-CG 4.45Å; R648-L651 PolarHBondContact O-N 2.95Å; L651-E654 PolarHBondContact O-N 3.25Å; L651-W655 WeakPolarHBondContact O-CB 3.33Å; L651-W655 PolarHBondContact O-N 3.44Å
652Q95.9Very high95.6Very high123 Ų123106.3 Ų106.358%0.57551%0.511SS*.Hα-helixtrans-61.9-43.7175.5-176.4175.8-1.800111.5R648 Q649 Y650 W655 L656R648-Q652 WeakPolarHBondContact O-CB 3.36Å; R648-Q652 PolarHBondContact O-N 2.96Å; Q649-Q652 PolarHBondContact O-N 3.44Å; Y650-Q652 VanDerWaalsContact C-N 3.33Å; Y650-Q652 PolarHBondContact O-N 3.49Å; Q652-W655 PolarHBondContact O-N 3.27Å; Q652-L656 WeakPolarHBondContact O-CG 3.48Å; Q652-L656 PolarHBondContact O-N 3.42Å
653N95.9Very high95.6Very high89 Ų89105.3 Ų105.348%0.47651%0.506SS..Hα-helixtrans-65.8-42.7176.7-70.5-17.7000111.9Q649 Y650 W655 L656 K657Q649-N653 VanDerWaalsContact O-CG 3.29Å; Q649-N653 PolarHBondContact O-N 3.45Å; Q649-N653 PolarHBondContact O-ND2 2.91Å; Y650-N653 PolarHBondContact O-N 2.9Å; N653-W655 VanDerWaalsContact C-N 3.32Å; N653-W655 PolarHBondContact O-N 2.95Å; N653-L656 PolarHBondContact O-N 2.94Å; N653-K657 WeakPolarHBondContact O-CG 3.31Å; N653-K657 PolarHBondContact O-N 2.77Å
654E96.4Very high95.7Very high66 Ų66103.4 Ų103.431%0.30850%0.499SS..Hα-helixtrans-63.2-38.2175.5-72-59.511300111.9Y650 L651 K657 A658Y650-E654 HydrophobicContact CD1-CG 4.41Å; Y650-E654 HydrophobicContact CD2-CG 4.34Å; Y650-E654 HydrophobicContact CE1-CG 3.93Å; Y650-E654 HydrophobicContact CE2-CG 3.85Å; Y650-E654 WeakPolarHBondContact O-CG 3.34Å; Y650-E654 PolarHBondContact O-N 2.88Å; L651-E654 PolarHBondContact O-N 3.25Å; E654-K657 PolarHBondContact O-N 3.21Å; E654-K657 IonicContact OE1-NZ 2.89Å; E654-K657 PolarHBondContact OE1-NZ 3.45Å; E654-A658 WeakPolarHBondContact O-CB 3.33Å; E654-A658 PolarHBondContact O-N 2.94Å
655W94.6Very high95.6Very high202 Ų202105.7 Ų105.777%0.76551%0.508SS*.Hα-helixtrans-64.7-42.3173.7-87.249.4000112.6L651 Q652 N653 A658 S659L651-W655 WeakPolarHBondContact O-CB 3.33Å; L651-W655 PolarHBondContact O-N 3.44Å; Q652-W655 PolarHBondContact O-N 3.27Å; N653-W655 VanDerWaalsContact C-N 3.32Å; N653-W655 PolarHBondContact O-N 2.95Å; W655-A658 PolarHBondContact O-N 3.27Å; W655-S659 VanDerWaalsContact O-CB 3.29Å; W655-S659 WeakPolarHBondContact O-CB 3.49Å; W655-S659 PolarHBondContact O-N 2.93Å
656L96.6Very high95.5Very high110 Ų110103.7 Ų103.758%0.57650%0.5SS*.Hα-helixtrans-60.7-45.6175.2-74.8170.7000111.2Q652 N653 S659 Q660Q652-L656 WeakPolarHBondContact O-CG 3.48Å; Q652-L656 PolarHBondContact O-N 3.42Å; N653-L656 PolarHBondContact O-N 2.94Å; L656-S659 PolarHBondContact O-N 3.21Å; L656-Q660 PolarHBondContact O-N 3.28Å
657K96.2Very high95.4Very high117 Ų117105.4 Ų105.451%0.50950%0.501SS..Hα-helixtrans-60.1-48.3174.9-68.7174.3-170.3169.90112N653 E654 S659 Q660 I661N653-K657 WeakPolarHBondContact O-CG 3.31Å; N653-K657 PolarHBondContact O-N 2.77Å; E654-K657 PolarHBondContact O-N 3.21Å; E654-K657 IonicContact OE1-NZ 2.89Å; E654-K657 PolarHBondContact OE1-NZ 3.45Å; K657-S659 VanDerWaalsContact C-N 3.29Å; K657-S659 PolarHBondContact O-N 3.47Å; K657-Q660 PolarHBondContact O-N 3.47Å; K657-I661 VanDerWaalsContact O-CG1 3.31Å; K657-I661 WeakPolarHBondContact O-CG1 3.36Å; K657-I661 PolarHBondContact O-N 3.41Å
658A95.2Very high95.2Very high58 Ų58106.1 Ų106.148%0.47950%0.503SS..Hα-helixtrans-62.7-38.2179.500000112E654 W655 K662E654-A658 WeakPolarHBondContact O-CB 3.33Å; E654-A658 PolarHBondContact O-N 2.94Å; W655-A658 PolarHBondContact O-N 3.27Å; A658-K662 WeakPolarHBondContact O-CB 3.29Å; A658-K662 PolarHBondContact O-N 3.11Å
659S96.2Very high94.8Very high79 Ų79104.8 Ų104.855%0.55250%0.503SS*.Hα-helixtrans-63.9-43.2174.4-171.40000111.7W655 L656 K657 K662 H663W655-S659 VanDerWaalsContact O-CB 3.29Å; W655-S659 WeakPolarHBondContact O-CB 3.49Å; W655-S659 PolarHBondContact O-N 2.93Å; L656-S659 PolarHBondContact O-N 3.21Å; K657-S659 VanDerWaalsContact C-N 3.29Å; K657-S659 PolarHBondContact O-N 3.47Å; S659-K662 PolarHBondContact O-N 2.92Å; S659-H663 PolarHBondContact O-N 2.93Å
660Q95.8Very high94.5Very high104 Ų104106.6 Ų106.649%0.48651%0.509SS..Hα-helixtrans-63.9-48.5176.5-171.861.838.500111.5L656 K657 K662 H663 D664L656-Q660 PolarHBondContact O-N 3.28Å; K657-Q660 PolarHBondContact O-N 3.47Å; Q660-K662 PolarHBondContact O-N 3.37Å; Q660-H663 WeakPolarHBondContact O-CA 3.33Å; Q660-H663 WeakPolarHBondContact O-CB 3.07Å; Q660-H663 PolarHBondContact O-N 2.84Å; Q660-D664 PolarHBondContact NE2-OD1 2.86Å; Q660-D664 VanDerWaalsContact O-CG 3.25Å; Q660-D664 PolarHBondContact O-N 2.79Å
661I95.5Very high93.9Very high90 Ų90104.7 Ų104.746%0.46251%0.508SS..Hα-helixtrans-57.1-39.7176.9-69165.5000111K657 K665K657-I661 VanDerWaalsContact O-CG1 3.31Å; K657-I661 WeakPolarHBondContact O-CG1 3.36Å; K657-I661 PolarHBondContact O-N 3.41Å; I661-K665 HydrophobicContact CG2-CD 4.22Å; I661-K665 WeakPolarHBondContact O-CB 3.28Å; I661-K665 VanDerWaalsContact O-CG 3.27Å; I661-K665 WeakPolarHBondContact O-CG 3.47Å; I661-K665 PolarHBondContact O-N 3.24Å
662K95.8Very high93.1Very high127 Ų127109.1 Ų109.155%0.55252%0.519SS*.Hα-helixtrans-64.1-44.9175.5-173.4-173.4177.5-147.10111.1A658 S659 Q660 K665 E666A658-K662 WeakPolarHBondContact O-CB 3.29Å; A658-K662 PolarHBondContact O-N 3.11Å; S659-K662 PolarHBondContact O-N 2.92Å; Q660-K662 PolarHBondContact O-N 3.37Å; K662-K665 PolarHBondContact O-N 2.79Å; K662-E666 WeakPolarHBondContact CE-OE1 3.45Å; K662-E666 IonicContact NZ-OE1 3.05Å; K662-E666 PolarHBondContact NZ-OE1 3.41Å; K662-E666 WeakPolarHBondContact O-CG 3.32Å; K662-E666 PolarHBondContact O-N 3.33Å
663H95Very high92.3Very high104 Ų104106.9 Ų106.948%0.48151%0.511SS..Hα-helixtrans-61.4-44.8177.6-170.168.7000112.2S659 Q660 K665 E666 L667S659-H663 PolarHBondContact O-N 2.93Å; Q660-H663 WeakPolarHBondContact O-CA 3.33Å; Q660-H663 WeakPolarHBondContact O-CB 3.07Å; Q660-H663 PolarHBondContact O-N 2.84Å; H663-K665 VanDerWaalsContact C-N 3.33Å; H663-K665 PolarHBondContact O-N 2.83Å; H663-E666 PolarHBondContact O-N 2.86Å; H663-L667 WeakPolarHBondContact O-CB 3.36Å; H663-L667 PolarHBondContact O-N 3.16Å
664D95.4Very high91.7Very high65 Ų65109.2 Ų109.235%0.34852%0.519SS..Hα-helixtrans-62.3-40.9177.5-60.1-19.7000111Q660 L667 H668Q660-D664 PolarHBondContact NE2-OD1 2.86Å; Q660-D664 VanDerWaalsContact O-CG 3.25Å; Q660-D664 PolarHBondContact O-N 2.79Å; D664-L667 PolarHBondContact O-N 2.95Å; D664-H668 WeakPolarHBondContact O-CB 3.32Å; D664-H668 PolarHBondContact O-CD2 2.85Å; D664-H668 PolarHBondContact O-N 2.87Å
665K92.7Very high90.7Very high142 Ų142108.8 Ų108.862%0.61753%0.526SS*.Hα-helixtrans-62.4-46174-76.7175.4-179.5-178.80112.4I661 K662 H663 L667 H668 E669I661-K665 HydrophobicContact CG2-CD 4.22Å; I661-K665 WeakPolarHBondContact O-CB 3.28Å; I661-K665 VanDerWaalsContact O-CG 3.27Å; I661-K665 WeakPolarHBondContact O-CG 3.47Å; I661-K665 PolarHBondContact O-N 3.24Å; K662-K665 PolarHBondContact O-N 2.79Å; H663-K665 VanDerWaalsContact C-N 3.33Å; H663-K665 PolarHBondContact O-N 2.83Å; K665-L667 VanDerWaalsContact C-N 3.29Å; K665-L667 PolarHBondContact O-N 3.44Å; K665-H668 PolarHBondContact O-N 2.88Å; K665-E669 WeakPolarHBondContact O-CB 3.27Å; K665-E669 PolarHBondContact O-N 3.1Å
666E93.4Very high89.2Confident76 Ų76105.6 Ų105.636%0.35552%0.52SS..Hα-helixtrans-63-36.4177-73.3176.6-17700111.4K662 H663 K670K662-E666 WeakPolarHBondContact CE-OE1 3.45Å; K662-E666 IonicContact NZ-OE1 3.05Å; K662-E666 PolarHBondContact NZ-OE1 3.41Å; K662-E666 WeakPolarHBondContact O-CG 3.32Å; K662-E666 PolarHBondContact O-N 3.33Å; H663-E666 PolarHBondContact O-N 2.86Å; E666-K670 VanDerWaalsContact O-CG 3.3Å; E666-K670 WeakPolarHBondContact O-CG 3.2Å; E666-K670 PolarHBondContact O-N 3.32Å; E666-K670 VanDerWaalsContact O-N 3.11Å
667L93.7Very high87.6Confident90 Ų90109.3 Ų109.347%0.47153%0.531SS..Hα-helixtrans-67.2-46.4174.4-178.365.2000111.6H663 D664 K665 E669 K670 L671H663-L667 WeakPolarHBondContact O-CB 3.36Å; H663-L667 PolarHBondContact O-N 3.16Å; D664-L667 PolarHBondContact O-N 2.95Å; K665-L667 VanDerWaalsContact C-N 3.29Å; K665-L667 PolarHBondContact O-N 3.44Å; L667-E669 VanDerWaalsContact C-N 3.33Å; L667-E669 PolarHBondContact O-N 3.49Å; L667-K670 PolarHBondContact O-N 3.45Å; L667-L671 WeakPolarHBondContact O-CG 3.37Å; L667-L671 PolarHBondContact O-N 3.45Å
668H89.6Confident85.9Confident129 Ų129108 Ų10860%0.59754%0.537SS*.Hα-helixtrans-60.3-41.4175.5-87.1-66.1000112.3D664 K665 L671 R672D664-H668 WeakPolarHBondContact O-CB 3.32Å; D664-H668 PolarHBondContact O-CD2 2.85Å; D664-H668 PolarHBondContact O-N 2.87Å; K665-H668 PolarHBondContact O-N 2.88Å; H668-L671 PolarHBondContact O-N 3.42Å; H668-R672 WeakPolarHBondContact O-CG 3.26Å; H668-R672 PolarHBondContact O-N 3.05Å
669E88.3Confident84Confident113 Ų113108.4 Ų108.453%0.52853%0.531SS..Hα-helixtrans-61.6-46.5176.5-171.2171.6-165.900111.2K665 L667 L671 R672 D673K665-E669 WeakPolarHBondContact O-CB 3.27Å; K665-E669 PolarHBondContact O-N 3.1Å; L667-E669 VanDerWaalsContact C-N 3.33Å; L667-E669 PolarHBondContact O-N 3.49Å; E669-L671 PolarHBondContact O-N 2.94Å; E669-R672 WeakPolarHBondContact O-CB 3.29Å; E669-R672 PolarHBondContact O-N 2.88Å; E669-R672 VanDerWaalsContact O-N 3.12Å; E669-D673 PolarHBondContact O-N 3.28Å
670K88.6Confident82.3Confident135 Ų135110.1 Ų110.159%0.58753%0.533SS*.Hα-helixtrans-58.9-42.7175-73.4172.4-176.4176.30113.1E666 L667 R672 D673 Q674E666-K670 VanDerWaalsContact O-CG 3.3Å; E666-K670 WeakPolarHBondContact O-CG 3.2Å; E666-K670 PolarHBondContact O-N 3.32Å; E666-K670 VanDerWaalsContact O-N 3.11Å; L667-K670 PolarHBondContact O-N 3.45Å; K670-R672 VanDerWaalsContact C-N 3.32Å; K670-D673 PolarHBondContact O-N 3.48Å; K670-Q674 WeakPolarHBondContact O-CB 3.38Å; K670-Q674 PolarHBondContact O-N 2.96Å
671L85.9Confident80.6Confident95 Ų95110.8 Ų110.850%0.49754%0.54SS..Hα-helixtrans-64-38.4176.5-71.7172.6000111.5L667 H668 E669 Q674 A675L667-L671 WeakPolarHBondContact O-CG 3.37Å; L667-L671 PolarHBondContact O-N 3.45Å; H668-L671 PolarHBondContact O-N 3.42Å; E669-L671 PolarHBondContact O-N 2.94Å; L671-Q674 PolarHBondContact O-N 3.03Å; L671-A675 WeakPolarHBondContact O-CB 3.21Å; L671-A675 PolarHBondContact O-N 3.06Å
672R78.7Confident78.8Confident177 Ų177112.6 Ų112.667%0.66855%0.55SS*.Hα-helixtrans-65.9-45.2174.6-71.8-145.8-59.7-142.21.3112.3H668 E669 K670 Q674 A675 Q676H668-R672 WeakPolarHBondContact O-CG 3.26Å; H668-R672 PolarHBondContact O-N 3.05Å; E669-R672 WeakPolarHBondContact O-CB 3.29Å; E669-R672 PolarHBondContact O-N 2.88Å; E669-R672 VanDerWaalsContact O-N 3.12Å; K670-R672 VanDerWaalsContact C-N 3.32Å; R672-Q674 VanDerWaalsContact C-N 3.26Å; R672-Q674 PolarHBondContact O-N 3.37Å; R672-A675 PolarHBondContact O-N 2.95Å; R672-Q676 WeakPolarHBondContact O-CB 3.49Å; R672-Q676 PolarHBondContact O-N 3.46Å
673D78.8Confident77.2Confident77 Ų77111 Ų11141%0.41254%0.544SS..Hα-helixtrans-61.2-37.6176.7-70.3-12.4000111.5E669 K670 K677E669-D673 PolarHBondContact O-N 3.28Å; K670-D673 PolarHBondContact O-N 3.48Å; D673-K677 WeakPolarHBondContact O-CG 3.18Å; D673-K677 PolarHBondContact O-N 2.82Å
674Q83Confident75.6Confident138 Ų138110.5 Ų110.565%0.64554%0.542SS*.Hα-helixtrans-69.3-41.2176-169.9173.2-3.300112K670 L671 R672 K677K670-Q674 WeakPolarHBondContact O-CB 3.38Å; K670-Q674 PolarHBondContact O-N 2.96Å; L671-Q674 PolarHBondContact O-N 3.03Å; R672-Q674 VanDerWaalsContact C-N 3.26Å; R672-Q674 PolarHBondContact O-N 3.37Å; Q674-K677 PolarHBondContact O-N 2.68Å
675A75.3Confident74.1Confident56 Ų56110.8 Ų110.846%0.46355%0.546SS..Hα-helixtrans-66.6-42.1176.500000112.4L671 R672 K677 S678 L679L671-A675 WeakPolarHBondContact O-CB 3.21Å; L671-A675 PolarHBondContact O-N 3.06Å; R672-A675 PolarHBondContact O-N 2.95Å; A675-K677 VanDerWaalsContact C-N 3.29Å; A675-K677 PolarHBondContact O-N 3.11Å; A675-S678 PolarHBondContact O-N 2.91Å; A675-S678 PolarHBondContact O-OG 3.48Å; A675-L679 PolarHBondContact O-N 2.85Å
676Q63.2Low72.6Confident136 Ų136111.6 Ų111.664%0.63655%0.552SS**Hα-helixtrans-65-30.2176.9-80.2-177.8-26.800112.9R672 S678R672-Q676 WeakPolarHBondContact O-CB 3.49Å; R672-Q676 PolarHBondContact O-N 3.46Å; Q676-S678 PolarHBondContact O-N 2.85Å
677K63.4Low71.1Confident187 Ų187116.4 Ų116.481%0.81357%0.572SS**Hα-helixtrans-68.2-21.5172.6-77.2175.6-177.6176.80113.5D673 Q674 A675D673-K677 WeakPolarHBondContact O-CG 3.18Å; D673-K677 PolarHBondContact O-N 2.82Å; Q674-K677 PolarHBondContact O-N 2.68Å; A675-K677 VanDerWaalsContact C-N 3.29Å; A675-K677 PolarHBondContact O-N 3.11Å
678S59.8Low69.6Low90 Ų90120.8 Ų120.863%0.62958%0.583SS**Hα-helixtrans-95.5-11.8178.866.30000114.8A675 Q676A675-S678 PolarHBondContact O-N 2.91Å; A675-S678 PolarHBondContact O-OG 3.48Å; Q676-S678 PolarHBondContact O-N 2.85Å
679L55.7Low67.9Low67 Ų67123.9 Ų123.935%0.35160%0.598SS.*SBendtrans-138.197.1-175.5-161.471.6000108.8A675 E683 Q684A675-L679 PolarHBondContact O-N 2.85Å; L679-E683 WeakPolarHBondContact CA-OE2 3.28Å; L679-E683 HydrophobicContact CD1-CB 4.06Å; L679-Q684 HydrophobicContact CD2-CG 3.43Å; L679-Q684 VanDerWaalsContact CD2-CG 3.43Å; L679-Q684 HydrophobicContact CG-CG 3.89Å
680L61.6Low66.6Low115 Ų115125.5 Ų125.560%0.60260%0.599SS**  trans-65.5141.4176.9-148.376.8000107.8L682 E683 Q684L680-L682 HydrophobicContact CD2-CB 4.31Å; L680-L682 PolarHBondContact O-N 3.19Å; L680-E683 HydrophobicContact CB-CG 4.36Å; L680-E683 PolarHBondContact N-OE2 3.1Å; L680-E683 WeakPolarHBondContact O-CB 3.47Å; L680-E683 PolarHBondContact O-N 3.5Å; L680-Q684 PolarHBondContact O-N 3.25Å
681L59.8Low65.4Low118 Ų118122.5 Ų122.562%0.61860%0.595SS**Hα-helixtrans-50.7-28.9178.6-174.265.8000112.6Q684L681-Q684 PolarHBondContact O-N 3.47Å
682L57.1Low64.3Low128 Ų128124.9 Ų124.967%0.6761%0.608SS**Hα-helixtrans-59.7-45172.6-125.183.4000113L680 Q684 T685L680-L682 HydrophobicContact CD2-CB 4.31Å; L680-L682 PolarHBondContact O-N 3.19Å; L682-Q684 VanDerWaalsContact C-N 3.32Å; L682-Q684 PolarHBondContact O-N 2.85Å; L682-T685 PolarHBondContact O-N 3.48Å; L682-T685 PolarHBondContact O-OG1 3.42Å
683E61.8Low63.2Low94 Ų94125.4 Ų125.444%0.43962%0.618SS.*Hα-helixtrans-70.1-27.9-177.9-63.2172.6146.400112L679 L680 T685 E686L679-E683 WeakPolarHBondContact CA-OE2 3.28Å; L679-E683 HydrophobicContact CD1-CB 4.06Å; L680-E683 HydrophobicContact CB-CG 4.36Å; L680-E683 PolarHBondContact N-OE2 3.1Å; L680-E683 WeakPolarHBondContact O-CB 3.47Å; L680-E683 PolarHBondContact O-N 3.5Å; E683-T685 VanDerWaalsContact C-N 3.32Å; E683-E686 PolarHBondContact O-N 3Å
684Q60.8Low62.5Low92 Ų92124.9 Ų124.943%0.4362%0.62SS.*Hα-helixtrans-66.5-34.2172.9-77.8179.4-27.600112.2L679 L680 L681 L682 E686 K687 Y688L679-Q684 HydrophobicContact CD2-CG 3.43Å; L679-Q684 VanDerWaalsContact CD2-CG 3.43Å; L679-Q684 HydrophobicContact CG-CG 3.89Å; L680-Q684 PolarHBondContact O-N 3.25Å; L681-Q684 PolarHBondContact O-N 3.47Å; L682-Q684 VanDerWaalsContact C-N 3.32Å; L682-Q684 PolarHBondContact O-N 2.85Å; Q684-E686 VanDerWaalsContact C-N 3.25Å; Q684-E686 PolarHBondContact O-N 3.41Å; Q684-K687 PolarHBondContact O-N 3.46Å; Q684-Y688 VanDerWaalsContact O-CD2 3.32Å; Q684-Y688 WeakPolarHBondContact O-CD2 3.36Å
685T63.8Low61.1Low72 Ų72126.5 Ų126.544%0.44263%0.627SS.*Hα-helixtrans-73.4-14.7-179.767.10000113.9L682 E683L682-T685 PolarHBondContact O-N 3.48Å; L682-T685 PolarHBondContact O-OG1 3.42Å; E683-T685 VanDerWaalsContact C-N 3.32Å
686E61.5Low60.3Low159 Ų159130.9 Ų130.974%0.74363%0.632SS**Hα-helixtrans-74.3-28.3174.8-69.2-173.3161.300112.8E683 Q684E683-E686 PolarHBondContact O-N 3Å; Q684-E686 VanDerWaalsContact C-N 3.25Å; Q684-E686 PolarHBondContact O-N 3.41Å
687K62.5Low59.9Low176 Ų176128.1 Ų128.177%0.76563%0.627SS**SBendtrans-76.1-20.5-178.9-75.8-175178.4177.90114.1Q684Q684-K687 PolarHBondContact O-N 3.46Å
688Y62.6Low59.4Low182 Ų182126.5 Ų126.571%0.71463%0.627SS**SBendtrans-92.6118-179.4-66-78.9000110.2Q684 R690Q684-Y688 VanDerWaalsContact O-CD2 3.32Å; Q684-Y688 WeakPolarHBondContact O-CD2 3.36Å; Y688-R690 PolarHBondContact O-N 2.88Å
689Q54.5Low59.2Low195 Ų195129 Ų12991%0.91163%0.633SS**PPolyproline II helixtrans-55.3120.8173.3-73.3-87-11.900109.6
690R60.2Low59.1Low147 Ų147128.8 Ų128.856%0.55563%0.632SS**PPolyproline II helixtrans-70.8145.2-177.5-62.1-179.5177.8-142.4-0.6110.2Y688 N692Y688-R690 PolarHBondContact O-N 2.88Å; R690-N692 PolarHBondContact O-N 2.91Å
691C63.4Low58.7Low72 Ų72129.7 Ų129.749%0.48664%0.642SS.*PPolyproline II helixtrans-63.6132.6176.8169.50000111.2Q693 C694C691-Q693 PolarHBondContact O-N 3.39Å; C691-Q693 VanDerWaalsContact O-N 3.07Å; C691-Q693 PolarHBondContact SG-N 3.33Å; C691-Q693 VanDerWaalsContact SG-N 3.44Å; C691-C694 PolarHBondContact O-N 3.05Å
692N61.8Low58.3Low145 Ų145126.6 Ų126.678%0.77564%0.639SS**THydrogen-bonded Turntrans-59.6-19.5-179.4-69.8-21000114.3R690R690-N692 PolarHBondContact O-N 2.91Å
693Q57.2Low57.8Low188 Ų188129.6 Ų129.688%0.87965%0.649SS**THydrogen-bonded Turntrans-80.8-24.6-179.7-73.6-171.5-20.700113.9C691C691-Q693 PolarHBondContact O-N 3.39Å; C691-Q693 VanDerWaalsContact O-N 3.07Å; C691-Q693 PolarHBondContact SG-N 3.33Å; C691-Q693 VanDerWaalsContact SG-N 3.44Å
694C63.2Low57.4Low66 Ų66128.3 Ų128.345%0.44665%0.65SS.*  trans-12140-169.262.70000113C691 R696C691-C694 PolarHBondContact O-N 3.05Å; C694-R696 PolarHBondContact O-N 3.16Å
695Q53.6Low56.6Low172 Ų172129.7 Ų129.780%0.80466%0.657SS**  trans-55.656.9173-65.3-171.1-9.800113.8
696R57.9Low55.3Low148 Ų148134.7 Ų134.756%0.55868%0.677SS**  trans-90.5123.9-179.5-63.5-178.9-171.4-123.90.7107.1C694C694-R696 PolarHBondContact O-N 3.16Å
697S54.9Low54.5Low77 Ų77132.8 Ų132.854%0.53868%0.677SS.*  trans-70.6155.517354.30000111D699S697-D699 PolarHBondContact O-N 3.43Å
698L53.9Low53.5Low153 Ų153129.9 Ų129.980%0.80167%0.674SS**THydrogen-bonded Turntrans-69.7-11.8179-67.3173.7000113.3N700L698-N700 VanDerWaalsContact C-N 3.32Å; L698-N700 PolarHBondContact O-N 3.49Å
699D55.1Low52.5Low142 Ų142128.6 Ų128.676%0.75968%0.679SS**THydrogen-bonded Turntrans-87.10.6-177-49.5-44.5000113.5S697 V701S697-D699 PolarHBondContact O-N 3.43Å; D699-V701 PolarHBondContact O-N 3.19Å
700N53.1Low51.9Low64 Ų64125.9 Ų125.934%0.34268%0.676SS.*  trans-77.486.8179.1-172.210.6000111.1L698 G702 S704L698-N700 VanDerWaalsContact C-N 3.32Å; L698-N700 PolarHBondContact O-N 3.49Å; N700-G702 VanDerWaalsContact C-N 3.3Å; N700-G702 PolarHBondContact O-N 2.7Å; N700-S704 PolarHBondContact ND2-OG 3.29Å
701V54.6Low51Low133 Ų133128.6 Ų128.681%0.80669%0.688SS**  trans-76.782.2170.9-169.40000109.3D699 Q703D699-V701 PolarHBondContact O-N 3.19Å; V701-Q703 PolarHBondContact O-N 2.73Å; V701-Q703 VanDerWaalsContact O-N 3.11Å
702G50.7Low50Low53 Ų53130.7 Ų130.755%0.54670%0.698SS.*SBendtrans75.52.9149.600000119.2N700 S704N700-G702 VanDerWaalsContact C-N 3.3Å; N700-G702 PolarHBondContact O-N 2.7Å; G702-S704 VanDerWaalsContact C-N 3.28Å; G702-S704 PolarHBondContact O-N 2.84Å
703Q46.4Very low48.9Very low192 Ų192134.3 Ų134.390%0.89770%0.701SS**THydrogen-bonded Turntrans-76.9-6.8-179.1-74.9-165.5-10.800115.2V701V701-Q703 PolarHBondContact O-N 2.73Å; V701-Q703 VanDerWaalsContact O-N 3.11Å
704S53Low48.4Very low66 Ų66129 Ų12946%0.46270%0.697SS.*THydrogen-bonded Turntrans-133.624.3178.955.60000115.3N700 G702 M706N700-S704 PolarHBondContact ND2-OG 3.29Å; G702-S704 VanDerWaalsContact C-N 3.28Å; G702-S704 PolarHBondContact O-N 2.84Å; S704-M706 PolarHBondContact O-N 2.83Å
705H43.8Very low47.4Very low122 Ų122133.3 Ų133.357%0.56571%0.708SS**  trans-97.473.5175.8-79.6-122.7000111.7T707H705-T707 PolarHBondContact O-N 3.01Å
706M36.6Very low46.8Very low176 Ų176134.2 Ų134.287%0.86771%0.712SS**  trans-88.581.3148.9-69.1-162.576.700107.6S704 T708S704-M706 PolarHBondContact O-N 2.83Å; M706-T708 PolarHBondContact O-N 2.71Å
707T44.7Very low46Very low119 Ų119135.4 Ų135.473%0.7372%0.721SS**  trans-81.897.4165.351.70000107.3H705 D709H705-T707 PolarHBondContact O-N 3.01Å; T707-D709 PolarHBondContact O-N 2.74Å
708T41.7Very low45.3Very low116 Ų116138 Ų13871%0.71273%0.734SS**  trans-58.8116.8170.445.20000110.1M706M706-T708 PolarHBondContact O-N 2.71Å
709D42.5Very low44.6Very low155 Ų155140.7 Ų140.783%0.82975%0.747SS**SBendtrans33.783.5150.2-62.1-25.5000118.5T707T707-D709 PolarHBondContact O-N 2.74Å
710T42.6Very low44.1Very low137 Ų137140.7 Ų140.784%0.8475%0.746SS**  trans-146.547.4144.239.50000110.8V712T710-V712 PolarHBondContact O-N 2.88Å; T710-V712 VanDerWaalsContact O-N 3.16Å
711Y40.4Very low43.6Very low205 Ų205144.7 Ų144.780%0.80477%0.768SS**  trans-81.986.3167.6-167.7-95000109.6R713Y711-R713 HydrophobicContact CE1-CB 4.12Å; Y711-R713 HydrophobicContact CE1-CG 4.24Å; Y711-R713 PolarHBondContact O-N 2.81Å
712V42Very low43Very low116 Ų116145.3 Ų145.370%0.70377%0.766SS**  trans-87.9106.4165-177.10000108.2T710 G714T710-V712 PolarHBondContact O-N 2.88Å; T710-V712 VanDerWaalsContact O-N 3.16Å; V712-G714 PolarHBondContact O-N 3.31Å
713R38.6Very low42.5Very low221 Ų221150.8 Ų150.883%0.83478%0.778SS**THydrogen-bonded Turntrans-54.2121.6-179.1-163.4173.8-168148.31.5110.8Y711Y711-R713 HydrophobicContact CE1-CB 4.12Å; Y711-R713 HydrophobicContact CE1-CG 4.24Å; Y711-R713 PolarHBondContact O-N 2.81Å
714G46.9Very low42.3Very low76 Ų76148.2 Ų148.278%0.78477%0.771SS**THydrogen-bonded Turntrans110.4-0.4166.300000117.6V712V712-G714 PolarHBondContact O-N 3.31Å
715K43.5Very low41.6Very low156 Ų156153.7 Ų153.768%0.67879%0.792SS**  trans-10892.8169.7-68-172.8-179.5179.90110.3F717K715-F717 VanDerWaalsContact C-N 3.32Å; K715-F717 HydrophobicContact CB-CD2 4.26Å; K715-F717 HydrophobicContact CB-CE2 3.89Å; K715-F717 HydrophobicContact CB-CZ 4.41Å; K715-F717 HydrophobicContact CD-CE2 4.34Å; K715-F717 HydrophobicContact CD-CZ 4.18Å; K715-F717 PolarHBondContact O-N 3.44Å
716Q39.6Very low41.4Very low192 Ų192155.9 Ų155.990%0.89781%0.808SS**  trans-67.897.1159.4-86.7171.6-36.800107.1V718Q716-V718 PolarHBondContact O-N 2.94Å; Q716-V718 VanDerWaalsContact O-N 3.13Å
717F41.6Very low41.8Very low172 Ų172154.4 Ų154.475%0.75480%0.803SS**  trans-71.2103.1159.3-69.4-80.2000106.4K715 I719K715-F717 VanDerWaalsContact C-N 3.32Å; K715-F717 HydrophobicContact CB-CD2 4.26Å; K715-F717 HydrophobicContact CB-CE2 3.89Å; K715-F717 HydrophobicContact CB-CZ 4.41Å; K715-F717 HydrophobicContact CD-CE2 4.34Å; K715-F717 HydrophobicContact CD-CZ 4.18Å; K715-F717 PolarHBondContact O-N 3.44Å; F717-I719 PolarHBondContact O-N 3.33Å
718V40.1Very low41.5Very low133 Ų133157.3 Ų157.381%0.80681%0.809SS**  trans-73.6107.3159-176.50000104.6Q716Q716-V718 PolarHBondContact O-N 2.94Å; Q716-V718 VanDerWaalsContact O-N 3.13Å
719I38.8Very low41.5Very low209 Ų209161.1 Ų161.1100%1.07282%0.818SS**  trans-69.20167.8-63176.2000107.9F717F717-I719 PolarHBondContact O-N 3.33Å

Retrieved 719 of 719 residues in 840.2 ms (Link to these results)

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