A0A087YL40_POEFO Loading...

ascorbate ferrireductase (transmembrane)

AlphaFold DB , UniProt , Accession A0A087YL40, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 224 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
1M57.5Low67.7Low197 Ų197115.9 Ų115.997%0.9760%0.601SS**  0-32.10-145.9154.580.800113.4
2N60.5Low68.9Low118 Ų118120.5 Ų120.563%0.63161%0.605SS**Hα-helixtrans-69.9-41.1175.7-83.95.7000114.7N4 K5 E6N2-N4 VanDerWaalsContact C-N 3.29Å; N2-N4 PolarHBondContact O-N 3.42Å; N2-K5 PolarHBondContact O-N 3.15Å; N2-E6 PolarHBondContact O-N 2.71Å; N2-E6 VanDerWaalsContact O-N 3.11Å
3H62Low70.3Confident149 Ų149120.7 Ų120.769%0.6960%0.6SS**Hα-helixtrans-58.6-34.9179.3-92.9-38.4000114.6E6 A7H3-E6 IonicContact ND1-OE2 3.51Å; H3-A7 WeakPolarHBondContact O-CB 3.38Å; H3-A7 PolarHBondContact O-N 3.02Å
4N66.3Low71.4Confident131 Ų131121.4 Ų121.470%0.70159%0.593SS**Hα-helixtrans-71.5-30.9177.7-73.83.4000112.3N2 E8N2-N4 VanDerWaalsContact C-N 3.29Å; N2-N4 PolarHBondContact O-N 3.42Å; N4-E8 WeakPolarHBondContact O-CB 3.49Å; N4-E8 PolarHBondContact O-N 3.08Å; N4-E8 VanDerWaalsContact O-N 3.16Å
5K66.5Low72.4Confident135 Ų135115 Ų11559%0.58757%0.572SS**Hα-helixtrans-74.2-37.3176.9-72-174.7177-179.10111.9N2 S9N2-K5 PolarHBondContact O-N 3.15Å; K5-S9 WeakPolarHBondContact O-CB 3.47Å; K5-S9 PolarHBondContact O-N 3.04Å; K5-S9 PolarHBondContact O-OG 3Å
6E66.6Low73.4Confident106 Ų106116.9 Ų116.950%0.49558%0.576SS.*Hα-helixtrans-66.8-45.8174.5-73.8170176.300111.6N2 H3 E8 S9 E10N2-E6 PolarHBondContact O-N 2.71Å; N2-E6 VanDerWaalsContact O-N 3.11Å; H3-E6 IonicContact ND1-OE2 3.51Å; E6-E8 VanDerWaalsContact C-N 3.29Å; E6-E8 PolarHBondContact O-N 3.38Å; E6-S9 PolarHBondContact O-N 2.98Å; E6-S9 PolarHBondContact O-OG 3.36Å; E6-E10 WeakPolarHBondContact O-CG 3.28Å; E6-E10 PolarHBondContact O-N 3.19Å
7A67Low74.5Confident50 Ų50113.9 Ų113.941%0.41356%0.562SS.*Hα-helixtrans-62.9-36.117700000112.7H3 T11H3-A7 WeakPolarHBondContact O-CB 3.38Å; H3-A7 PolarHBondContact O-N 3.02Å; A7-T11 WeakPolarHBondContact O-CB 3.46Å; A7-T11 PolarHBondContact O-N 3.07Å; A7-T11 VanDerWaalsContact O-N 3.16Å; A7-T11 PolarHBondContact O-OG1 3.11Å
8E70.5Confident75.5Confident100 Ų100112.9 Ų112.947%0.46755%0.551SS.*Hα-helixtrans-71.5-39.5176.5-167.6-179.8177.500112.2N4 E6 T11 R12N4-E8 WeakPolarHBondContact O-CB 3.49Å; N4-E8 PolarHBondContact O-N 3.08Å; N4-E8 VanDerWaalsContact O-N 3.16Å; E6-E8 VanDerWaalsContact C-N 3.29Å; E6-E8 PolarHBondContact O-N 3.38Å; E8-T11 PolarHBondContact O-N 2.95Å; E8-R12 WeakPolarHBondContact O-CG 3.32Å; E8-R12 PolarHBondContact O-N 2.91Å; E8-R12 IonicContact OE1-CZ 2.98Å; E8-R12 IonicContact OE1-NE 3.21Å; E8-R12 IonicContact OE1-NH2 3.58Å; E8-R12 PolarHBondContact OE1-NH2 3.22Å
9S73.3Confident76.3Confident67 Ų67109.1 Ų109.147%0.46954%0.539SS..Hα-helixtrans-67-42177.774.20000111.8K5 E6 T11 R12 F13K5-S9 WeakPolarHBondContact O-CB 3.47Å; K5-S9 PolarHBondContact O-N 3.04Å; K5-S9 PolarHBondContact O-OG 3Å; E6-S9 PolarHBondContact O-N 2.98Å; E6-S9 PolarHBondContact O-OG 3.36Å; S9-T11 PolarHBondContact O-N 2.94Å; S9-R12 PolarHBondContact O-N 2.99Å; S9-F13 WeakPolarHBondContact O-CB 3.38Å; S9-F13 PolarHBondContact O-N 2.98Å
10E73.5Confident77.2Confident118 Ų118106.1 Ų106.155%0.55153%0.533SS*.Hα-helixtrans-60.2-46173.8-76.2-169.3161.700111.4E6 R12 F13 Y14E6-E10 WeakPolarHBondContact O-CG 3.28Å; E6-E10 PolarHBondContact O-N 3.19Å; E10-R12 VanDerWaalsContact C-N 3.32Å; E10-R12 PolarHBondContact O-N 3.23Å; E10-F13 WeakPolarHBondContact O-CB 3.41Å; E10-F13 PolarHBondContact O-N 3.16Å; E10-Y14 HydrophobicContact CB-CD2 4.47Å; E10-Y14 HydrophobicContact CB-CE2 4.31Å; E10-Y14 WeakPolarHBondContact O-CD2 3.42Å; E10-Y14 PolarHBondContact O-N 3.08Å
11T80.5Confident78.1Confident104 Ų104102.8 Ų102.864%0.63852%0.519SS*.Hα-helixtrans-60.9-41.9179.2-59.40000111.7A7 E8 S9 G15A7-T11 WeakPolarHBondContact O-CB 3.46Å; A7-T11 PolarHBondContact O-N 3.07Å; A7-T11 VanDerWaalsContact O-N 3.16Å; A7-T11 PolarHBondContact O-OG1 3.11Å; E8-T11 PolarHBondContact O-N 2.95Å; S9-T11 PolarHBondContact O-N 2.94Å; T11-G15 PolarHBondContact O-N 3.13Å
12R82.8Confident79.9Confident171 Ų17193.6 Ų93.665%0.64548%0.475SS*.Hα-helixtrans-65.6-42175.7-72.1176.1-175.4-162.93.3111.8E8 S9 E10 G15 F16E8-R12 WeakPolarHBondContact O-CG 3.32Å; E8-R12 PolarHBondContact O-N 2.91Å; E8-R12 IonicContact OE1-CZ 2.98Å; E8-R12 IonicContact OE1-NE 3.21Å; E8-R12 IonicContact OE1-NH2 3.58Å; E8-R12 PolarHBondContact OE1-NH2 3.22Å; S9-R12 PolarHBondContact O-N 2.99Å; E10-R12 VanDerWaalsContact C-N 3.32Å; E10-R12 PolarHBondContact O-N 3.23Å; R12-G15 PolarHBondContact O-N 2.79Å; R12-F16 PolarHBondContact O-N 3.33Å
13F86.8Confident81.6Confident123 Ų12389.4 Ų89.454%0.53946%0.459SS..Hα-helixtrans-61.7-50.1178.4179.5-107.7000112.2S9 E10 G15 F16 I17S9-F13 WeakPolarHBondContact O-CB 3.38Å; S9-F13 PolarHBondContact O-N 2.98Å; E10-F13 WeakPolarHBondContact O-CB 3.41Å; E10-F13 PolarHBondContact O-N 3.16Å; F13-G15 VanDerWaalsContact C-N 3.3Å; F13-G15 PolarHBondContact O-N 3.27Å; F13-F16 WeakPolarHBondContact O-CB 3.48Å; F13-F16 PolarHBondContact O-N 3.46Å; F13-I17 HydrophobicContact CD1-CD1 3.81Å; F13-I17 HydrophobicContact CE1-CD1 3.3Å; F13-I17 HydrophobicContact CE1-CG1 4.43Å; F13-I17 HydrophobicContact CE2-CD1 4.1Å; F13-I17 HydrophobicContact CG-CD1 4.41Å; F13-I17 HydrophobicContact CZ-CD1 3.48Å; F13-I17 VanDerWaalsContact CZ-CD1 3.48Å; F13-I17 HydrophobicContact CZ-CG1 4.36Å; F13-I17 WeakPolarHBondContact O-CG1 3.37Å; F13-I17 PolarHBondContact O-N 3.12Å
14Y85.6Confident83.3Confident130 Ų13086 Ų8651%0.5145%0.446SS..Hα-helixtrans-63.6-36.1175.8-72.3-65.1000112.4E10 R18E10-Y14 HydrophobicContact CB-CD2 4.47Å; E10-Y14 HydrophobicContact CB-CE2 4.31Å; E10-Y14 WeakPolarHBondContact O-CD2 3.42Å; E10-Y14 PolarHBondContact O-N 3.08Å; Y14-R18 VanDerWaalsContact O-CG 3.29Å; Y14-R18 WeakPolarHBondContact O-CG 3.17Å; Y14-R18 PolarHBondContact O-N 3.07Å
15G85.9Confident84.8Confident26 Ų2679.8 Ų79.827%0.26841%0.412SS..Hα-helixtrans-60.7-44.6173.400000112.5T11 R12 F13 R18 A19T11-G15 PolarHBondContact O-N 3.13Å; R12-G15 PolarHBondContact O-N 2.79Å; F13-G15 VanDerWaalsContact C-N 3.3Å; F13-G15 PolarHBondContact O-N 3.27Å; G15-R18 PolarHBondContact O-N 3.44Å; G15-A19 PolarHBondContact O-N 3.04Å; G15-A19 VanDerWaalsContact O-N 3.08Å
16F89.8Confident86.4Confident145 Ų14574.3 Ų74.364%0.63639%0.389SS*.Hα-helixtrans-63.2-48.6176.1176.4-98.1000111.9R12 F13 R18 A19 A20R12-F16 PolarHBondContact O-N 3.33Å; F13-F16 WeakPolarHBondContact O-CB 3.48Å; F13-F16 PolarHBondContact O-N 3.46Å; F16-R18 VanDerWaalsContact C-N 3.3Å; F16-R18 PolarHBondContact O-N 3.39Å; F16-A19 PolarHBondContact O-N 3.27Å; F16-A19 VanDerWaalsContact O-N 3.13Å; F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.96Å
17I91.8Very high87.9Confident66 Ų6674.5 Ų74.534%0.33839%0.392SS..Hα-helixtrans-56-46.7177.6-70.2173.2000110.5F13 A19 A20 S21F13-I17 HydrophobicContact CD1-CD1 3.81Å; F13-I17 HydrophobicContact CE1-CD1 3.3Å; F13-I17 HydrophobicContact CE1-CG1 4.43Å; F13-I17 HydrophobicContact CE2-CD1 4.1Å; F13-I17 HydrophobicContact CG-CD1 4.41Å; F13-I17 HydrophobicContact CZ-CD1 3.48Å; F13-I17 VanDerWaalsContact CZ-CD1 3.48Å; F13-I17 HydrophobicContact CZ-CG1 4.36Å; F13-I17 WeakPolarHBondContact O-CG1 3.37Å; F13-I17 PolarHBondContact O-N 3.12Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.37Å; I17-A20 PolarHBondContact O-N 3.47Å; I17-S21 WeakPolarHBondContact O-CB 3.5Å; I17-S21 PolarHBondContact O-N 3.41Å; I17-S21 PolarHBondContact O-OG 3.19Å
18R91.3Very high89.4Confident96 Ų9673 Ų7336%0.36238%0.377SS..Hα-helixtrans-61.9-41.2179-71.6176.7-174-177.82.6112.3Y14 G15 F16 V22 H72Y14-R18 VanDerWaalsContact O-CG 3.29Å; Y14-R18 WeakPolarHBondContact O-CG 3.17Å; Y14-R18 PolarHBondContact O-N 3.07Å; G15-R18 PolarHBondContact O-N 3.44Å; F16-R18 VanDerWaalsContact C-N 3.3Å; F16-R18 PolarHBondContact O-N 3.39Å; R18-V22 VanDerWaalsContact O-CG2 3.3Å; R18-V22 WeakPolarHBondContact O-CG2 3.34Å; R18-V22 PolarHBondContact O-N 3.07Å; R18-H72 HydrophobicContact CB-CB 4.09Å; R18-H72 VanDerWaalsContact CD-NE2 3.33Å; R18-H72 WeakPolarHBondContact CD-NE2 3.3Å; R18-H72 PolarHBondContact NH1-NE2 3.45Å
19A91.9Very high90.7Very high40 Ų4068.3 Ų68.333%0.33136%0.355SS..Hα-helixtrans-64.5-44.6176.400000111.4G15 F16 I17 V22 G23G15-A19 PolarHBondContact O-N 3.04Å; G15-A19 VanDerWaalsContact O-N 3.08Å; F16-A19 PolarHBondContact O-N 3.27Å; F16-A19 VanDerWaalsContact O-N 3.13Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.37Å; A19-V22 PolarHBondContact O-N 3.15Å; A19-G23 PolarHBondContact O-N 3.17Å
20A94.8Very high91.9Very high50 Ų5069.7 Ų69.741%0.41336%0.356SS..Hα-helixtrans-62.1-44.2176.500000112F16 I17 V22 G23 L24F16-A20 WeakPolarHBondContact O-CB 3.49Å; F16-A20 PolarHBondContact O-N 2.96Å; I17-A20 PolarHBondContact O-N 3.47Å; A20-V22 PolarHBondContact O-N 2.87Å; A20-G23 PolarHBondContact O-N 3Å; A20-L24 WeakPolarHBondContact O-CB 3.21Å; A20-L24 PolarHBondContact O-N 2.7Å
21S95.8Very high93.1Very high36 Ų3666.6 Ų66.625%0.25235%0.351SS..Hα-helixtrans-61.1-42.5175.8-600000112.3I17 L24 T25I17-S21 WeakPolarHBondContact O-CB 3.5Å; I17-S21 PolarHBondContact O-N 3.41Å; I17-S21 PolarHBondContact O-OG 3.19Å; S21-L24 PolarHBondContact O-N 3.42Å; S21-T25 PolarHBondContact O-N 3.31Å; S21-T25 PolarHBondContact O-OG1 2.87Å
22V94.9Very high94Very high5 Ų561.9 Ų61.93%0.0332%0.322CS..Hα-helixtrans-66-43.4176.2172.60000110.8R18 A19 A20 L24 T25 H26 L67R18-V22 VanDerWaalsContact O-CG2 3.3Å; R18-V22 WeakPolarHBondContact O-CG2 3.34Å; R18-V22 PolarHBondContact O-N 3.07Å; A19-V22 PolarHBondContact O-N 3.15Å; A20-V22 PolarHBondContact O-N 2.87Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 3.35Å; V22-T25 WeakPolarHBondContact O-CB 3.43Å; V22-T25 PolarHBondContact O-N 3.14Å; V22-T25 VanDerWaalsContact O-N 3.07Å; V22-H26 PolarHBondContact O-CD2 2.84Å; V22-H26 VanDerWaalsContact O-CD2 3.23Å; V22-H26 PolarHBondContact O-N 3.5Å; V22-L67 HydrophobicContact CG1-CD2 4.11Å
23G97Very high94.7Very high30 Ų3054.1 Ų54.131%0.30929%0.294SS..Hα-helixtrans-57.7-43.8174.100000112.7A19 A20 T25 H26 I27A19-G23 PolarHBondContact O-N 3.17Å; A20-G23 PolarHBondContact O-N 3Å; G23-T25 VanDerWaalsContact C-N 3.3Å; G23-T25 PolarHBondContact O-N 3.23Å; G23-H26 WeakPolarHBondContact O-CB 3.4Å; G23-H26 PolarHBondContact O-N 3.2Å; G23-I27 WeakPolarHBondContact O-CG1 3.41Å; G23-I27 PolarHBondContact O-N 2.9Å; G23-I27 VanDerWaalsContact O-N 3.14Å
24L97.3Very high95.3Very high77 Ų7751.6 Ų51.640%0.40329%0.288SS..Hα-helixtrans-61.5-39.3173.7-179.558.2000112A20 S21 V22 H26 I27 I28 L203A20-L24 WeakPolarHBondContact O-CB 3.21Å; A20-L24 PolarHBondContact O-N 2.7Å; S21-L24 PolarHBondContact O-N 3.42Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 3.35Å; L24-H26 VanDerWaalsContact C-N 3.35Å; L24-H26 PolarHBondContact O-N 3.47Å; L24-I27 PolarHBondContact O-N 3.33Å; L24-I28 HydrophobicContact CD1-CD1 4.18Å; L24-I28 HydrophobicContact CD1-CG1 4.31Å; L24-I28 HydrophobicContact CG-CD1 3.88Å; L24-I28 HydrophobicContact CG-CG1 4.44Å; L24-I28 WeakPolarHBondContact O-CG1 3.29Å; L24-I28 PolarHBondContact O-N 3.39Å; L24-L203 HydrophobicContact CD2-CD2 3.67Å; L24-L203 HydrophobicContact CG-CD2 4.46Å
25T97.9Very high95.9Very high0 Ų048.8 Ų48.80%028%0.279CS..Hα-helixtrans-65.2-39.1178.3-51.60000111.4S21 V22 G23 I28 S29 T63 L67 I207S21-T25 PolarHBondContact O-N 3.31Å; S21-T25 PolarHBondContact O-OG1 2.87Å; V22-T25 WeakPolarHBondContact O-CB 3.43Å; V22-T25 PolarHBondContact O-N 3.14Å; V22-T25 VanDerWaalsContact O-N 3.07Å; G23-T25 VanDerWaalsContact C-N 3.3Å; G23-T25 PolarHBondContact O-N 3.23Å; T25-I28 PolarHBondContact O-N 3.48Å; T25-S29 WeakPolarHBondContact O-CB 3.31Å; T25-S29 PolarHBondContact O-N 3.39Å; T25-T63 HydrophobicContact CG2-CG2 3.68Å; T25-L67 HydrophobicContact CG2-CD1 3.83Å; T25-I207 VanDerWaalsContact OG1-CD1 3.31Å; T25-I207 WeakPolarHBondContact OG1-CD1 3.38Å; T25-I207 WeakPolarHBondContact OG1-CG2 3.35Å
26H98.3Very high96.5Very high20 Ų2047.7 Ų47.79%0.09327%0.266CS..Hα-helixtrans-59.2-45.5171.8-74-62.5000111.7V22 G23 L24 S29 I30 E64 L67 G73V22-H26 PolarHBondContact O-CD2 2.84Å; V22-H26 VanDerWaalsContact O-CD2 3.23Å; V22-H26 PolarHBondContact O-N 3.5Å; G23-H26 WeakPolarHBondContact O-CB 3.4Å; G23-H26 PolarHBondContact O-N 3.2Å; L24-H26 VanDerWaalsContact C-N 3.35Å; L24-H26 PolarHBondContact O-N 3.47Å; H26-S29 PolarHBondContact O-N 3.46Å; H26-S29 PolarHBondContact O-OG 3.45Å; H26-I30 PolarHBondContact O-N 3.42Å; H26-E64 IonicContact CE1-OE1 3.5Å; H26-E64 IonicContact CE1-OE2 2.72Å; H26-E64 PolarHBondContact CE1-OE2 3.42Å; H26-E64 IonicContact CG-OE1 2.68Å; H26-E64 IonicContact ND1-OE1 3.4Å; H26-E64 PolarHBondContact ND1-OE1 3.18Å; H26-E64 IonicContact ND1-OE2 3.7Å; H26-E64 PolarHBondContact ND1-OE2 3.01Å; H26-L67 VanDerWaalsContact CE1-CD1 3.4Å; H26-L67 WeakPolarHBondContact CE1-CD1 3.43Å; H26-G73 PolarHBondContact NE2-O 3.36Å; H26-G73 VanDerWaalsContact NE2-O 3.13Å
27I98.4Very high96.9Very high111 Ų11141.8 Ų41.857%0.56925%0.245SC*.Hα-helixtrans-62.1-47.1177.6-65.5166.7000110.7G23 L24 S29 I30 A31G23-I27 WeakPolarHBondContact O-CG1 3.41Å; G23-I27 PolarHBondContact O-N 2.9Å; G23-I27 VanDerWaalsContact O-N 3.14Å; L24-I27 PolarHBondContact O-N 3.33Å; I27-S29 VanDerWaalsContact C-N 3.29Å; I27-S29 PolarHBondContact O-N 2.99Å; I27-I30 PolarHBondContact O-N 3.01Å; I27-A31 WeakPolarHBondContact O-CB 3.5Å; I27-A31 PolarHBondContact O-N 3.48Å
28I98.6Very high97.2Very high17 Ų1745.9 Ų45.99%0.08726%0.26CS..Hα-helixtrans-59-41.8177.5-71.2168.4000111L24 T25 I30 A31 F32 C200 L203 S204L24-I28 HydrophobicContact CD1-CD1 4.18Å; L24-I28 HydrophobicContact CD1-CG1 4.31Å; L24-I28 HydrophobicContact CG-CD1 3.88Å; L24-I28 HydrophobicContact CG-CG1 4.44Å; L24-I28 WeakPolarHBondContact O-CG1 3.29Å; L24-I28 PolarHBondContact O-N 3.39Å; T25-I28 PolarHBondContact O-N 3.48Å; I28-I30 PolarHBondContact O-N 3.1Å; I28-I30 VanDerWaalsContact O-N 3.09Å; I28-A31 PolarHBondContact O-N 2.92Å; I28-F32 HydrophobicContact CG2-CB 4.46Å; I28-F32 VanDerWaalsContact O-CB 3.31Å; I28-F32 WeakPolarHBondContact O-CB 3.35Å; I28-F32 PolarHBondContact O-N 3.22Å; I28-C200 HydrophobicContact CG2-CB 3.65Å; I28-L203 HydrophobicContact CD1-CB 4.48Å; I28-L203 HydrophobicContact CD1-CD2 3.97Å; I28-L203 HydrophobicContact CD1-CG 4.46Å; I28-S204 WeakPolarHBondContact CG2-OG 3.1Å
29S98.4Very high97.5Very high2 Ų244 Ų441%0.01426%0.257CS..Hα-helixtrans-59.3-23.7-178.983.80000113.4T25 H26 I27 P33 G59 F60 E64T25-S29 WeakPolarHBondContact O-CB 3.31Å; T25-S29 PolarHBondContact O-N 3.39Å; H26-S29 PolarHBondContact O-N 3.46Å; H26-S29 PolarHBondContact O-OG 3.45Å; I27-S29 VanDerWaalsContact C-N 3.29Å; I27-S29 PolarHBondContact O-N 2.99Å; S29-P33 WeakPolarHBondContact O-CD 3.33Å; S29-P33 VanDerWaalsContact O-CG 3.27Å; S29-P33 WeakPolarHBondContact O-CG 3.47Å; S29-G59 WeakPolarHBondContact CA-O 3.49Å; S29-G59 WeakPolarHBondContact CB-O 3.37Å; S29-F60 WeakPolarHBondContact O-CB 3.36Å; S29-F60 WeakPolarHBondContact O-CD2 3.46Å; S29-E64 PolarHBondContact OG-OE1 3.08Å
30I98.6Very high97.8Very high96 Ų9642.4 Ų42.449%0.49224%0.243SC..Hα-helixtrans-98.1-51.5177.7-61.9167.2000110.2H26 I27 I28 F32 P33 V34 F60H26-I30 PolarHBondContact O-N 3.42Å; I27-I30 PolarHBondContact O-N 3.01Å; I28-I30 PolarHBondContact O-N 3.1Å; I28-I30 VanDerWaalsContact O-N 3.09Å; I30-F32 VanDerWaalsContact C-N 3.35Å; I30-F32 PolarHBondContact O-N 3.44Å; I30-P33 WeakPolarHBondContact O-CD 3.48Å; I30-V34 HydrophobicContact CG2-CG2 4.26Å; I30-V34 WeakPolarHBondContact O-CB 3.44Å; I30-V34 WeakPolarHBondContact O-CG2 3.36Å; I30-V34 PolarHBondContact O-N 3.06Å; I30-V34 VanDerWaalsContact O-N 3.09Å; I30-F60 HydrophobicContact CG1-CD2 4.24Å; I30-F60 HydrophobicContact CG1-CE2 3.99Å
31A98.6Very high97.9Very high53 Ų5344.8 Ų44.844%0.43825%0.249SC..Hα-helixtrans-62.3-40.5-173.600000112.5I27 I28 V34 F35I27-A31 WeakPolarHBondContact O-CB 3.5Å; I27-A31 PolarHBondContact O-N 3.48Å; I28-A31 PolarHBondContact O-N 2.92Å; A31-V34 PolarHBondContact O-N 3.01Å; A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 PolarHBondContact O-N 3.46Å
32F98.5Very high98Very high6 Ų645.3 Ų45.33%0.02625%0.251CS..Hα-helixtrans-67.7-51.3-177.7174.9-107.9000112.5I28 I30 V34 F35 I36 T55 L176 L180 A197 C200I28-F32 HydrophobicContact CG2-CB 4.46Å; I28-F32 VanDerWaalsContact O-CB 3.31Å; I28-F32 WeakPolarHBondContact O-CB 3.35Å; I28-F32 PolarHBondContact O-N 3.22Å; I30-F32 VanDerWaalsContact C-N 3.35Å; I30-F32 PolarHBondContact O-N 3.44Å; F32-V34 VanDerWaalsContact C-N 3.31Å; F32-V34 PolarHBondContact O-N 3.2Å; F32-F35 PolarHBondContact O-N 2.97Å; F32-I36 HydrophobicContact CE2-CD1 4.25Å; F32-I36 HydrophobicContact CE2-CG1 4.15Å; F32-I36 HydrophobicContact CZ-CD1 4.48Å; F32-I36 HydrophobicContact CZ-CG1 4.19Å; F32-I36 WeakPolarHBondContact O-CG1 3.34Å; F32-I36 PolarHBondContact O-N 3.35Å; F32-T55 HydrophobicContact CE1-CG2 3.77Å; F32-T55 HydrophobicContact CZ-CG2 4.19Å; F32-L176 HydrophobicContact CE1-CD1 4.13Å; F32-L176 HydrophobicContact CE1-CD2 4.36Å; F32-L180 HydrophobicContact CE2-CD1 4.18Å; F32-L180 HydrophobicContact CE2-CD2 4.2Å; F32-L180 HydrophobicContact CZ-CD1 4.29Å; F32-L180 HydrophobicContact CZ-CD2 4.2Å; F32-A197 HydrophobicContact CE2-CB 4.37Å; F32-A197 WeakPolarHBondContact CE2-O 3.46Å; F32-C200 HydrophobicContact CB-CB 3.99Å; F32-C200 HydrophobicContact CD2-CB 3.79Å; F32-C200 HydrophobicContact CE2-CB 4.45Å; F32-C200 HydrophobicContact CG-CB 3.93Å
33P98.6Very high98Very high8 Ų847.5 Ų47.55%0.05227%0.274CS..Hα-helixtrans-62.9-34.3174.5-2738.9000113.6S29 I30 I36 A37 T55 V56 F60S29-P33 WeakPolarHBondContact O-CD 3.33Å; S29-P33 VanDerWaalsContact O-CG 3.27Å; S29-P33 WeakPolarHBondContact O-CG 3.47Å; I30-P33 WeakPolarHBondContact O-CD 3.48Å; P33-I36 PolarHBondContact O-N 2.64Å; P33-A37 WeakPolarHBondContact O-CB 3.47Å; P33-A37 PolarHBondContact O-N 3.42Å; P33-T55 WeakPolarHBondContact CG-O 2.86Å; P33-V56 HydrophobicContact CB-CG2 4.19Å; P33-F60 HydrophobicContact CG-CB 4.15Å
34V98.6Very high98Very high69 Ų6950.7 Ų50.742%0.41829%0.288SS..Hα-helixtrans-62.8-46.2174.5166.80000110.9I30 A31 F32 I36 A37 F38I30-V34 HydrophobicContact CG2-CG2 4.26Å; I30-V34 WeakPolarHBondContact O-CB 3.44Å; I30-V34 WeakPolarHBondContact O-CG2 3.36Å; I30-V34 PolarHBondContact O-N 3.06Å; I30-V34 VanDerWaalsContact O-N 3.09Å; A31-V34 PolarHBondContact O-N 3.01Å; F32-V34 VanDerWaalsContact C-N 3.31Å; F32-V34 PolarHBondContact O-N 3.2Å; V34-I36 VanDerWaalsContact C-N 3.35Å; V34-I36 PolarHBondContact O-N 2.88Å; V34-A37 WeakPolarHBondContact O-CB 3.41Å; V34-A37 PolarHBondContact O-N 3.11Å; V34-F38 HydrophobicContact CG1-CD2 3.7Å; V34-F38 HydrophobicContact CG1-CE2 3.34Å; V34-F38 HydrophobicContact CG1-CZ 4.47Å; V34-F38 WeakPolarHBondContact O-CD2 3.49Å; V34-F38 PolarHBondContact O-N 3.3Å
35F98.6Very high98Very high72 Ų7249.6 Ų49.632%0.31629%0.287SS..Hα-helixtrans-58.3-45.5174.8172.9-112.5000112A31 F32 A37 F38 L39 F185 V189 A197A31-F35 WeakPolarHBondContact O-CB 3.46Å; A31-F35 PolarHBondContact O-N 3.46Å; F32-F35 PolarHBondContact O-N 2.97Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 3.49Å; F35-F38 PolarHBondContact O-N 2.76Å; F35-L39 HydrophobicContact CD1-CD1 4.12Å; F35-L39 HydrophobicContact CD2-CD1 4.47Å; F35-L39 HydrophobicContact CE1-CD1 3.55Å; F35-L39 HydrophobicContact CE2-CD1 3.95Å; F35-L39 HydrophobicContact CE2-CD2 4.49Å; F35-L39 HydrophobicContact CE2-CG 4.23Å; F35-L39 HydrophobicContact CZ-CD1 3.48Å; F35-L39 VanDerWaalsContact CZ-CD1 3.48Å; F35-L39 HydrophobicContact CZ-CG 4.24Å; F35-L39 WeakPolarHBondContact O-CG 3.38Å; F35-L39 PolarHBondContact O-N 2.9Å; F35-L39 VanDerWaalsContact O-N 3.11Å; F35-F185 HydrophobicContact CE1-CE2 4.23Å; F35-F185 HydrophobicContact CE1-CZ 4.05Å; F35-V189 HydrophobicContact CZ-CG1 4.28Å; F35-V189 HydrophobicContact CZ-CG2 4.06Å; F35-A197 HydrophobicContact CE1-CB 3.98Å
36I98.6Very high98Very high2 Ų252 Ų521%0.0130%0.301CS..Hα-helixtrans-66.5-35.5176.5-59.4-61.2000111.8F32 P33 V34 F38 L39 S40 P51 T55 L180 F185F32-I36 HydrophobicContact CE2-CD1 4.25Å; F32-I36 HydrophobicContact CE2-CG1 4.15Å; F32-I36 HydrophobicContact CZ-CD1 4.48Å; F32-I36 HydrophobicContact CZ-CG1 4.19Å; F32-I36 WeakPolarHBondContact O-CG1 3.34Å; F32-I36 PolarHBondContact O-N 3.35Å; P33-I36 PolarHBondContact O-N 2.64Å; V34-I36 VanDerWaalsContact C-N 3.35Å; V34-I36 PolarHBondContact O-N 2.88Å; I36-F38 VanDerWaalsContact C-N 3.34Å; I36-F38 PolarHBondContact O-N 3.22Å; I36-L39 HydrophobicContact CD1-CD1 4.45Å; I36-L39 PolarHBondContact O-N 3.25Å; I36-S40 VanDerWaalsContact O-CB 3.28Å; I36-S40 WeakPolarHBondContact O-CB 3.46Å; I36-S40 PolarHBondContact O-N 2.93Å; I36-S40 PolarHBondContact O-OG 2.8Å; I36-P51 HydrophobicContact CG2-CB 3.85Å; I36-T55 HydrophobicContact CB-CG2 4.07Å; I36-T55 HydrophobicContact CG1-CG2 3.75Å; I36-T55 HydrophobicContact CG2-CG2 3.98Å; I36-L180 HydrophobicContact CD1-CD2 4.19Å; I36-F185 HydrophobicContact CD1-CD2 4.25Å; I36-F185 HydrophobicContact CD1-CE2 3.59Å; I36-F185 HydrophobicContact CD1-CZ 4.49Å
37A98.5Very high98Very high22 Ų2253.2 Ų53.218%0.18231%0.307CS..Hα-helixtrans-61.3-43.4174.600000111.4P33 V34 F35 L39 S40 L41 P42 F52P33-A37 WeakPolarHBondContact O-CB 3.47Å; P33-A37 PolarHBondContact O-N 3.42Å; V34-A37 WeakPolarHBondContact O-CB 3.41Å; V34-A37 PolarHBondContact O-N 3.11Å; F35-A37 VanDerWaalsContact C-N 3.34Å; F35-A37 PolarHBondContact O-N 3.49Å; A37-L39 PolarHBondContact O-N 3.33Å; A37-S40 PolarHBondContact O-OG 3.48Å; A37-L41 PolarHBondContact O-N 3.01Å; A37-P42 VanDerWaalsContact O-CD 3.28Å; A37-P42 WeakPolarHBondContact O-CD 3.35Å; A37-F52 HydrophobicContact CB-CD2 3.7Å; A37-F52 HydrophobicContact CB-CE2 3.89Å
38F98.3Very high98Very high151 Ų15148 Ų4866%0.66228%0.28SS*.Hα-helixtrans-62.4-40.1175.5-78.6-65.6000112.8V34 F35 I36 L41V34-F38 HydrophobicContact CG1-CD2 3.7Å; V34-F38 HydrophobicContact CG1-CE2 3.34Å; V34-F38 HydrophobicContact CG1-CZ 4.47Å; V34-F38 WeakPolarHBondContact O-CD2 3.49Å; V34-F38 PolarHBondContact O-N 3.3Å; F35-F38 PolarHBondContact O-N 2.76Å; I36-F38 VanDerWaalsContact C-N 3.34Å; I36-F38 PolarHBondContact O-N 3.22Å; F38-L41 WeakPolarHBondContact O-CD2 3.4Å
39L98.1Very high98Very high56 Ų5652.3 Ų52.329%0.29330%0.295SS..Hα-helixtrans-73.7-41.4178.7-68.7176000113.2F35 I36 A37 F185 V189F35-L39 HydrophobicContact CD1-CD1 4.12Å; F35-L39 HydrophobicContact CD2-CD1 4.47Å; F35-L39 HydrophobicContact CE1-CD1 3.55Å; F35-L39 HydrophobicContact CE2-CD1 3.95Å; F35-L39 HydrophobicContact CE2-CD2 4.49Å; F35-L39 HydrophobicContact CE2-CG 4.23Å; F35-L39 HydrophobicContact CZ-CD1 3.48Å; F35-L39 VanDerWaalsContact CZ-CD1 3.48Å; F35-L39 HydrophobicContact CZ-CG 4.24Å; F35-L39 WeakPolarHBondContact O-CG 3.38Å; F35-L39 PolarHBondContact O-N 2.9Å; F35-L39 VanDerWaalsContact O-N 3.11Å; I36-L39 HydrophobicContact CD1-CD1 4.45Å; I36-L39 PolarHBondContact O-N 3.25Å; A37-L39 PolarHBondContact O-N 3.33Å; L39-F185 HydrophobicContact CD1-CE2 3.81Å; L39-V189 HydrophobicContact CD1-CG2 3.4Å; L39-V189 VanDerWaalsContact CD1-CG2 3.4Å; L39-V189 HydrophobicContact CD2-CG2 4.11Å; L39-V189 HydrophobicContact CG-CG2 4.41Å
40S97.6Very high98Very high7 Ų753.1 Ų53.15%0.04930%0.299CS..Hα-helixtrans-78.3-29.7-175.958.20000112.6I36 A37 S48I36-S40 VanDerWaalsContact O-CB 3.28Å; I36-S40 WeakPolarHBondContact O-CB 3.46Å; I36-S40 PolarHBondContact O-N 2.93Å; I36-S40 PolarHBondContact O-OG 2.8Å; A37-S40 PolarHBondContact O-OG 3.48Å; S40-S48 WeakPolarHBondContact O-CB 3.25Å
41L97.6Very high98Very high101 Ų10149.1 Ų49.153%0.52928%0.279SS..  trans50.669.3-173.9-60.2172.2000110.4A37 F38 G43 T44 S48A37-L41 PolarHBondContact O-N 3.01Å; F38-L41 WeakPolarHBondContact O-CD2 3.4Å; L41-G43 PolarHBondContact O-N 3.4Å; L41-T44 HydrophobicContact CB-CG2 3.63Å; L41-T44 HydrophobicContact CD1-CG2 4.5Å; L41-T44 WeakPolarHBondContact O-CB 3.13Å; L41-T44 WeakPolarHBondContact O-CG2 3.41Å; L41-T44 PolarHBondContact O-N 3.19Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 3.16Å; L41-S48 PolarHBondContact O-OG 2.92Å
42P96.3Very high98Very high47 Ų4749 Ų4931%0.30527%0.269SS..THydrogen-bonded Turntrans-55.2131.1-17523-33.4000111A37 W49 F52A37-P42 VanDerWaalsContact O-CD 3.28Å; A37-P42 WeakPolarHBondContact O-CD 3.35Å; P42-W49 HydrophobicContact CB-CD2 4.36Å; P42-W49 HydrophobicContact CB-CE3 3.95Å; P42-W49 HydrophobicContact CB-CH2 4.2Å; P42-W49 HydrophobicContact CB-CZ3 3.86Å; P42-F52 HydrophobicContact CB-CB 4.09Å; P42-F52 HydrophobicContact CB-CD1 3.74Å; P42-F52 HydrophobicContact CB-CE1 4.34Å; P42-F52 HydrophobicContact CB-CG 3.88Å; P42-F52 HydrophobicContact CG-CB 4.43Å; P42-F52 HydrophobicContact CG-CD1 4.08Å; P42-F52 HydrophobicContact CG-CD2 4.19Å; P42-F52 HydrophobicContact CG-CE1 4.41Å; P42-F52 HydrophobicContact CG-CG 3.96Å
43G96.4Very high98Very high50 Ų5049.7 Ų49.752%0.51527%0.273SS..THydrogen-bonded Turntrans102.8-16.7-175.500000114.9L41 S45 S48L41-G43 PolarHBondContact O-N 3.4Å; G43-S45 VanDerWaalsContact C-N 3.35Å; G43-S48 PolarHBondContact N-OG 3.41Å
44T97Very high98.1Very high98 Ų9850.3 Ų50.360%0.60128%0.275SS*.SBendtrans-72.5-25.8174.656.10000113.8L41 S48L41-T44 HydrophobicContact CB-CG2 3.63Å; L41-T44 HydrophobicContact CD1-CG2 4.5Å; L41-T44 WeakPolarHBondContact O-CB 3.13Å; L41-T44 WeakPolarHBondContact O-CG2 3.41Å; L41-T44 PolarHBondContact O-N 3.19Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 3.16Å; T44-S48 PolarHBondContact N-OG 3.46Å; T44-S48 PolarHBondContact OG1-OG 3.49Å
45S97.3Very high98.1Very high53 Ų5347.4 Ų47.437%0.37126%0.257SS..SBendtrans-155.2165.4176.364.10000110.6G43 F47 S48G43-S45 VanDerWaalsContact C-N 3.35Å; S45-F47 PolarHBondContact O-N 3.39Å; S45-S48 PolarHBondContact N-OG 3.46Å; S45-S48 PolarHBondContact O-N 3.37Å; S45-S48 PolarHBondContact O-OG 3.22Å; S45-S48 PolarHBondContact OG-N 3.38Å
46V97.6Very high98.1Very high50 Ų5045 Ų4530%0.30325%0.249SC..Hα-helixtrans-61-38.9171-177.90000110.1S48 W49 A105 Y108 N109 L112V46-S48 VanDerWaalsContact C-N 3.35Å; V46-S48 PolarHBondContact O-N 3.28Å; V46-W49 PolarHBondContact O-N 3.49Å; V46-A105 HydrophobicContact CG1-CB 4.46Å; V46-A105 WeakPolarHBondContact CG1-O 2.91Å; V46-Y108 HydrophobicContact CG1-CD1 3.97Å; V46-Y108 HydrophobicContact CG2-CD1 4.41Å; V46-N109 HydrophobicContact CB-CB 4.19Å; V46-N109 HydrophobicContact CG1-CB 3.98Å; V46-L112 HydrophobicContact CG2-CD1 4.4Å
47F98.1Very high98.1Very high47 Ų4745 Ų4521%0.20625%0.248CC..Hα-helixtrans-59.8-40.8177.2177.3-101.3000112.8S45 W49 H50 P51 I106 N109 W184S45-F47 PolarHBondContact O-N 3.39Å; F47-W49 PolarHBondContact O-N 3.28Å; F47-W49 VanDerWaalsContact O-N 3.13Å; F47-H50 VanDerWaalsContact O-CB 3.32Å; F47-H50 WeakPolarHBondContact O-CB 3.46Å; F47-H50 PolarHBondContact O-N 3.41Å; F47-P51 HydrophobicContact CE1-CG 4.46Å; F47-P51 WeakPolarHBondContact O-CD 3.35Å; F47-I106 HydrophobicContact CD2-CD1 3.55Å; F47-I106 HydrophobicContact CE2-CD1 3.7Å; F47-N109 HydrophobicContact CB-CB 4.49Å; F47-W184 HydrophobicContact CE1-CB 4.31Å; F47-W184 AromaticContact CE1-CD1 3.58Å; F47-W184 AromaticContact CE1-CD2 3.61Å; F47-W184 HydrophobicContact CE1-CD2 3.61Å; F47-W184 AromaticContact CE1-CE2 3.73Å; F47-W184 HydrophobicContact CE1-CE3 4.32Å; F47-W184 AromaticContact CE1-CG 3.54Å; F47-W184 HydrophobicContact CE1-CG 3.54Å; F47-W184 HydrophobicContact CE1-CZ2 4.49Å; F47-W184 AromaticContact CE1-NE1 3.68Å; F47-W184 HydrophobicContact CZ-CB 4.07Å; F47-W184 AromaticContact CZ-CD2 3.83Å; F47-W184 HydrophobicContact CZ-CD2 3.83Å; F47-W184 HydrophobicContact CZ-CE3 4.21Å; F47-W184 AromaticContact CZ-CG 3.72Å; F47-W184 HydrophobicContact CZ-CG 3.72Å
48S98.4Very high98.1Very high2 Ų244.3 Ų44.31%0.01424%0.241CC..Hα-helixtrans-62.5-25.3-17460.70000114.1S40 L41 G43 T44 S45 V46 H50 P51 F52S40-S48 WeakPolarHBondContact O-CB 3.25Å; L41-S48 PolarHBondContact O-OG 2.92Å; G43-S48 PolarHBondContact N-OG 3.41Å; T44-S48 PolarHBondContact N-OG 3.46Å; T44-S48 PolarHBondContact OG1-OG 3.49Å; S45-S48 PolarHBondContact N-OG 3.46Å; S45-S48 PolarHBondContact O-N 3.37Å; S45-S48 PolarHBondContact O-OG 3.22Å; S45-S48 PolarHBondContact OG-N 3.38Å; V46-S48 VanDerWaalsContact C-N 3.35Å; V46-S48 PolarHBondContact O-N 3.28Å; S48-H50 VanDerWaalsContact C-N 3.28Å; S48-H50 PolarHBondContact O-N 3.36Å; S48-P51 WeakPolarHBondContact O-CD 3.46Å; S48-F52 WeakPolarHBondContact O-CB 3.42Å
49W98.7Very high98.1Very high107 Ų10737.5 Ų37.541%0.40521%0.214SC..Hα-helixtrans-65.1-29.9172.2-70.2108.4000113.3P42 V46 F47 F52 L53 A105P42-W49 HydrophobicContact CB-CD2 4.36Å; P42-W49 HydrophobicContact CB-CE3 3.95Å; P42-W49 HydrophobicContact CB-CH2 4.2Å; P42-W49 HydrophobicContact CB-CZ3 3.86Å; V46-W49 PolarHBondContact O-N 3.49Å; F47-W49 PolarHBondContact O-N 3.28Å; F47-W49 VanDerWaalsContact O-N 3.13Å; W49-F52 AromaticContact CE3-CD1 3.9Å; W49-F52 HydrophobicContact CE3-CD1 3.9Å; W49-F52 HydrophobicContact CE3-CE1 4.37Å; W49-F52 AromaticContact CZ3-CD1 3.97Å; W49-F52 HydrophobicContact CZ3-CD1 3.97Å; W49-F52 AromaticContact CZ3-CE1 4Å; W49-F52 HydrophobicContact CZ3-CE1 4Å; W49-L53 HydrophobicContact CB-CD1 4.12Å; W49-L53 HydrophobicContact CE3-CD1 4.37Å; W49-L53 HydrophobicContact CE3-CG 4.36Å; W49-L53 WeakPolarHBondContact O-CB 3.24Å; W49-L53 WeakPolarHBondContact O-CD1 3.36Å; W49-L53 WeakPolarHBondContact O-CG 3.2Å; W49-L53 PolarHBondContact O-N 2.88Å; W49-A105 HydrophobicContact CB-CB 3.93Å
50H98.7Very high98.1Very high19 Ų1938 Ų389%0.08821%0.214CC..Hα-helixtrans-63.4-62.6-178.2172.571.7000113.5F47 S48 F52 L53 M54 G102 A105 I106 H122F47-H50 VanDerWaalsContact O-CB 3.32Å; F47-H50 WeakPolarHBondContact O-CB 3.46Å; F47-H50 PolarHBondContact O-N 3.41Å; S48-H50 VanDerWaalsContact C-N 3.28Å; S48-H50 PolarHBondContact O-N 3.36Å; H50-F52 VanDerWaalsContact C-N 3.27Å; H50-F52 PolarHBondContact O-N 2.94Å; H50-L53 PolarHBondContact O-N 3.3Å; H50-M54 VanDerWaalsContact O-CB 3.29Å; H50-M54 WeakPolarHBondContact O-CB 3.49Å; H50-M54 WeakPolarHBondContact O-CG 3.39Å; H50-M54 PolarHBondContact O-N 2.93Å; H50-G102 PolarHBondContact ND1-O 2.69Å; H50-A105 HydrophobicContact CB-CB 4.48Å; H50-I106 HydrophobicContact CB-CB 3.93Å; H50-I106 WeakPolarHBondContact ND1-CG2 3.3Å; H50-H122 AromaticContact NE2-NE2 3.57Å
51P98.6Very high98.2Very high12 Ų1239.3 Ų39.38%0.07822%0.219CC..Hα-helixtrans-63.2-35.3-178.626.8-34.2000111.7I36 F47 S48 T55 W184I36-P51 HydrophobicContact CG2-CB 3.85Å; F47-P51 HydrophobicContact CE1-CG 4.46Å; F47-P51 WeakPolarHBondContact O-CD 3.35Å; S48-P51 WeakPolarHBondContact O-CD 3.46Å; P51-T55 WeakPolarHBondContact O-CB 3.27Å; P51-T55 WeakPolarHBondContact O-CG2 3.49Å; P51-T55 PolarHBondContact O-N 2.83Å; P51-T55 VanDerWaalsContact O-N 3.09Å; P51-T55 PolarHBondContact O-OG1 3.49Å; P51-W184 HydrophobicContact CB-CH2 3.77Å; P51-W184 HydrophobicContact CB-CZ3 3.72Å; P51-W184 HydrophobicContact CG-CH2 3.75Å; P51-W184 HydrophobicContact CG-CZ2 4.21Å; P51-W184 HydrophobicContact CG-CZ3 4.02Å
52F98.8Very high98.2Very high49 Ų4934.7 Ų34.722%0.21520%0.195CC..Hα-helixtrans-61.1-57.8174.5173.7-116.5000112.3A37 P42 S48 W49 H50 M54 T55 V56A37-F52 HydrophobicContact CB-CD2 3.7Å; A37-F52 HydrophobicContact CB-CE2 3.89Å; P42-F52 HydrophobicContact CB-CB 4.09Å; P42-F52 HydrophobicContact CB-CD1 3.74Å; P42-F52 HydrophobicContact CB-CE1 4.34Å; P42-F52 HydrophobicContact CB-CG 3.88Å; P42-F52 HydrophobicContact CG-CB 4.43Å; P42-F52 HydrophobicContact CG-CD1 4.08Å; P42-F52 HydrophobicContact CG-CD2 4.19Å; P42-F52 HydrophobicContact CG-CE1 4.41Å; P42-F52 HydrophobicContact CG-CG 3.96Å; S48-F52 WeakPolarHBondContact O-CB 3.42Å; W49-F52 AromaticContact CE3-CD1 3.9Å; W49-F52 HydrophobicContact CE3-CD1 3.9Å; W49-F52 HydrophobicContact CE3-CE1 4.37Å; W49-F52 AromaticContact CZ3-CD1 3.97Å; W49-F52 HydrophobicContact CZ3-CD1 3.97Å; W49-F52 AromaticContact CZ3-CE1 4Å; W49-F52 HydrophobicContact CZ3-CE1 4Å; H50-F52 VanDerWaalsContact C-N 3.27Å; H50-F52 PolarHBondContact O-N 2.94Å; F52-M54 VanDerWaalsContact C-N 3.34Å; F52-M54 PolarHBondContact O-N 3.46Å; F52-T55 PolarHBondContact O-N 3.43Å; F52-T55 PolarHBondContact O-OG1 3.34Å; F52-V56 HydrophobicContact CD2-CG2 3.97Å; F52-V56 HydrophobicContact CE2-CG2 3.58Å; F52-V56 HydrophobicContact CZ-CG2 3.94Å; F52-V56 WeakPolarHBondContact O-CB 3.43Å; F52-V56 WeakPolarHBondContact O-CG2 3.47Å; F52-V56 PolarHBondContact O-N 2.91Å
53L98.9Very high98.3Very high22 Ų2232.5 Ų32.512%0.11518%0.18CC..Hα-helixtrans-66-36.2-176.5-68.6170.7000112.3W49 H50 A57 C98 L101W49-L53 HydrophobicContact CB-CD1 4.12Å; W49-L53 HydrophobicContact CE3-CD1 4.37Å; W49-L53 HydrophobicContact CE3-CG 4.36Å; W49-L53 WeakPolarHBondContact O-CB 3.24Å; W49-L53 WeakPolarHBondContact O-CD1 3.36Å; W49-L53 WeakPolarHBondContact O-CG 3.2Å; W49-L53 PolarHBondContact O-N 2.88Å; H50-L53 PolarHBondContact O-N 3.3Å; L53-A57 VanDerWaalsContact O-CB 3.24Å; L53-A57 WeakPolarHBondContact O-CB 3.3Å; L53-A57 PolarHBondContact O-N 3.33Å; L53-C98 HydrophobicContact CB-CB 4.46Å; L53-C98 HydrophobicContact CD2-CB 4.39Å; L53-L101 HydrophobicContact CD1-CB 3.8Å
54M98.8Very high98.4Very high21 Ų2131 Ų3110%0.10316%0.16CC..Hα-helixtrans-65.1-42177-71.5-65.117600112H50 F52 A57 F58 A99 L103 V130H50-M54 VanDerWaalsContact O-CB 3.29Å; H50-M54 WeakPolarHBondContact O-CB 3.49Å; H50-M54 WeakPolarHBondContact O-CG 3.39Å; H50-M54 PolarHBondContact O-N 2.93Å; F52-M54 VanDerWaalsContact C-N 3.34Å; F52-M54 PolarHBondContact O-N 3.46Å; M54-A57 PolarHBondContact O-N 3.47Å; M54-F58 VanDerWaalsContact O-CD2 3.3Å; M54-F58 WeakPolarHBondContact O-CD2 3.27Å; M54-F58 PolarHBondContact O-N 3.07Å; M54-F58 HydrophobicContact SD-CD2 4.38Å; M54-F58 HydrophobicContact SD-CE2 3.86Å; M54-A99 VanDerWaalsContact CE-O 3.24Å; M54-A99 WeakPolarHBondContact CE-O 3.33Å; M54-L103 HydrophobicContact CE-CB 3.85Å; M54-V130 HydrophobicContact CE-CG2 4.2Å
55T98.7Very high98.5Very high7 Ų726.3 Ų26.34%0.04313%0.131CC..Hα-helixtrans-73.6-3617955.40000112.3F32 P33 I36 P51 F52 G59 F60 L176F32-T55 HydrophobicContact CE1-CG2 3.77Å; F32-T55 HydrophobicContact CZ-CG2 4.19Å; P33-T55 WeakPolarHBondContact CG-O 2.86Å; I36-T55 HydrophobicContact CB-CG2 4.07Å; I36-T55 HydrophobicContact CG1-CG2 3.75Å; I36-T55 HydrophobicContact CG2-CG2 3.98Å; P51-T55 WeakPolarHBondContact O-CB 3.27Å; P51-T55 WeakPolarHBondContact O-CG2 3.49Å; P51-T55 PolarHBondContact O-N 2.83Å; P51-T55 VanDerWaalsContact O-N 3.09Å; P51-T55 PolarHBondContact O-OG1 3.49Å; F52-T55 PolarHBondContact O-N 3.43Å; F52-T55 PolarHBondContact O-OG1 3.34Å; T55-G59 WeakPolarHBondContact O-CA 3.16Å; T55-G59 PolarHBondContact O-N 3.49Å; T55-F60 PolarHBondContact O-N 3.4Å; T55-L176 HydrophobicContact CG2-CD2 3.68Å
56V98.8Very high98.5Very high23 Ų2324.9 Ų24.914%0.13912%0.119CC..Iπ-helixtrans-63.4-41.5170.1170.10000111.4P33 F52 F60 F61P33-V56 HydrophobicContact CB-CG2 4.19Å; F52-V56 HydrophobicContact CD2-CG2 3.97Å; F52-V56 HydrophobicContact CE2-CG2 3.58Å; F52-V56 HydrophobicContact CZ-CG2 3.94Å; F52-V56 WeakPolarHBondContact O-CB 3.43Å; F52-V56 WeakPolarHBondContact O-CG2 3.47Å; F52-V56 PolarHBondContact O-N 2.91Å; V56-F60 WeakPolarHBondContact O-CB 3.32Å; V56-F60 PolarHBondContact O-N 2.9Å; V56-F61 HydrophobicContact CG1-CD2 3.74Å; V56-F61 HydrophobicContact CG1-CE2 3.43Å; V56-F61 VanDerWaalsContact CG1-CE2 3.43Å; V56-F61 HydrophobicContact CG1-CZ 4.19Å; V56-F61 PolarHBondContact O-N 2.94Å
57A98.9Very high98.4Very high0 Ų022.5 Ų22.50%011%0.105CC..Iπ-helixtrans-62.3-61.2178.100000112L53 M54 F61 M62 C95 C98 A99L53-A57 VanDerWaalsContact O-CB 3.24Å; L53-A57 WeakPolarHBondContact O-CB 3.3Å; L53-A57 PolarHBondContact O-N 3.33Å; M54-A57 PolarHBondContact O-N 3.47Å; A57-F61 PolarHBondContact O-N 3.34Å; A57-M62 PolarHBondContact O-N 2.86Å; A57-C95 WeakPolarHBondContact CB-O 3.41Å; A57-C95 PolarHBondContact O-SG 3.4Å; A57-C98 HydrophobicContact CB-CB 3.73Å; A57-A99 HydrophobicContact CB-CB 4.2Å
58F98.8Very high98.3Very high8 Ų820.6 Ų20.64%0.03510%0.097CC..Iπ-helixtrans-88.6-37.4-169.6-65.3-74.1000113.1M54 M62 T63 A99 T129 V133 L176M54-F58 VanDerWaalsContact O-CD2 3.3Å; M54-F58 WeakPolarHBondContact O-CD2 3.27Å; M54-F58 PolarHBondContact O-N 3.07Å; M54-F58 HydrophobicContact SD-CD2 4.38Å; M54-F58 HydrophobicContact SD-CE2 3.86Å; F58-M62 HydrophobicContact CD1-CE 3.85Å; F58-M62 HydrophobicContact CD1-SD 4.06Å; F58-M62 HydrophobicContact CE1-CE 3.84Å; F58-T63 PolarHBondContact O-OG1 2.96Å; F58-A99 HydrophobicContact CE2-CB 4.06Å; F58-A99 HydrophobicContact CZ-CB 4.06Å; F58-T129 HydrophobicContact CE1-CG2 3.62Å; F58-T129 HydrophobicContact CZ-CG2 3.64Å; F58-V133 HydrophobicContact CE1-CG2 3.64Å; F58-V133 HydrophobicContact CZ-CG2 4.03Å; F58-L176 HydrophobicContact CB-CD1 3.91Å; F58-L176 HydrophobicContact CB-CG 4.35Å
59G98.3Very high98.1Very high9 Ų924.1 Ų24.19%0.09311%0.112CC..Iπ-helixtrans-75.3-40.7-179.900000112.9S29 T55 T63S29-G59 WeakPolarHBondContact CA-O 3.49Å; S29-G59 WeakPolarHBondContact CB-O 3.37Å; T55-G59 WeakPolarHBondContact O-CA 3.16Å; T55-G59 PolarHBondContact O-N 3.49Å; G59-T63 WeakPolarHBondContact O-CB 3.31Å; G59-T63 PolarHBondContact O-OG1 3.12Å
60F98.8Very high97.7Very high67 Ų6719.1 Ų19.129%0.2949%0.093SC..Iπ-helixtrans-100.9-72-178.7-177.4-122.4000113S29 I30 P33 T55 V56 M62 T63 E64S29-F60 WeakPolarHBondContact O-CB 3.36Å; S29-F60 WeakPolarHBondContact O-CD2 3.46Å; I30-F60 HydrophobicContact CG1-CD2 4.24Å; I30-F60 HydrophobicContact CG1-CE2 3.99Å; P33-F60 HydrophobicContact CG-CB 4.15Å; T55-F60 PolarHBondContact O-N 3.4Å; V56-F60 WeakPolarHBondContact O-CB 3.32Å; V56-F60 PolarHBondContact O-N 2.9Å; F60-M62 PolarHBondContact O-N 3.13Å; F60-T63 PolarHBondContact O-N 3.41Å; F60-E64 HydrophobicContact CD2-CG 3.87Å; F60-E64 HydrophobicContact CE2-CG 3.73Å; F60-E64 HydrophobicContact CZ-CG 4.48Å; F60-E64 WeakPolarHBondContact O-CB 3.4Å; F60-E64 WeakPolarHBondContact O-CG 3.37Å; F60-E64 PolarHBondContact O-N 3.4Å
61F98.8Very high97Very high33 Ų3321.9 Ų21.915%0.14511%0.113CC..Iπ-helixtrans-61.4-48-167.7-73.3-46.7000113.5V56 A57 A65 L91 L94 C95V56-F61 HydrophobicContact CG1-CD2 3.74Å; V56-F61 HydrophobicContact CG1-CE2 3.43Å; V56-F61 VanDerWaalsContact CG1-CE2 3.43Å; V56-F61 HydrophobicContact CG1-CZ 4.19Å; V56-F61 PolarHBondContact O-N 2.94Å; A57-F61 PolarHBondContact O-N 3.34Å; F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.28Å; F61-L91 HydrophobicContact CD1-CD2 3.89Å; F61-L91 HydrophobicContact CE1-CD2 4.32Å; F61-L94 HydrophobicContact CD1-CB 4.25Å; F61-L94 HydrophobicContact CD1-CD1 4.36Å; F61-L94 HydrophobicContact CD2-CB 3.87Å; F61-L94 HydrophobicContact CE1-CB 4.2Å; F61-L94 HydrophobicContact CE1-CD1 3.82Å; F61-L94 HydrophobicContact CE2-CB 3.8Å; F61-L94 HydrophobicContact CG-CB 4.1Å; F61-L94 HydrophobicContact CZ-CB 3.98Å; F61-L94 HydrophobicContact CZ-CD1 3.97Å; F61-C95 HydrophobicContact CB-CB 3.86Å
62M98.7Very high96.4Very high4 Ų424.4 Ų24.42%0.0212%0.124CC..Iπ-helixtrans-64.9-44.1178.6-171.9172.4-69.400111.9A57 F58 F60 A65 I66 C95 V133 T168 F169A57-M62 PolarHBondContact O-N 2.86Å; F58-M62 HydrophobicContact CD1-CE 3.85Å; F58-M62 HydrophobicContact CD1-SD 4.06Å; F58-M62 HydrophobicContact CE1-CE 3.84Å; F60-M62 PolarHBondContact O-N 3.13Å; M62-A65 PolarHBondContact O-N 3.04Å; M62-I66 HydrophobicContact CG-CD1 4.08Å; M62-I66 WeakPolarHBondContact O-CG1 3.46Å; M62-I66 PolarHBondContact O-N 3.06Å; M62-I66 VanDerWaalsContact O-N 3.1Å; M62-C95 VanDerWaalsContact CE-SG 3.55Å; M62-V133 HydrophobicContact CE-CG2 3.71Å; M62-T168 HydrophobicContact CE-CG2 4.19Å; M62-F169 HydrophobicContact CG-CD2 3.82Å; M62-F169 HydrophobicContact CG-CE2 4.46Å; M62-F169 HydrophobicContact SD-CB 4.21Å; M62-F169 HydrophobicContact SD-CD2 3.77Å
63T98.4Very high95.8Very high1 Ų123.1 Ų23.11%0.00613%0.125CC..Hα-helixtrans-57.1-54.7177.4-58.40000110.9T25 F58 G59 F60 A65 I66 L67 F169 I208T25-T63 HydrophobicContact CG2-CG2 3.68Å; F58-T63 PolarHBondContact O-OG1 2.96Å; G59-T63 WeakPolarHBondContact O-CB 3.31Å; G59-T63 PolarHBondContact O-OG1 3.12Å; F60-T63 PolarHBondContact O-N 3.41Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 3.45Å; T63-I66 PolarHBondContact O-N 3.5Å; T63-I66 VanDerWaalsContact O-N 3.14Å; T63-L67 HydrophobicContact CG2-CD1 4.01Å; T63-L67 HydrophobicContact CG2-CG 4.42Å; T63-L67 WeakPolarHBondContact O-CG 3.48Å; T63-L67 PolarHBondContact O-N 2.67Å; T63-F169 WeakPolarHBondContact OG1-CE2 3.32Å; T63-I208 HydrophobicContact CG2-CD1 4Å
64E98.5Very high95.4Very high18 Ų1822.5 Ų22.58%0.08412%0.122CC..Hα-helixtrans-61.8-41.5-180-72.2-56.3126.600111.7H26 S29 F60 I66 L67 L68 L91H26-E64 IonicContact CE1-OE1 3.5Å; H26-E64 IonicContact CE1-OE2 2.72Å; H26-E64 PolarHBondContact CE1-OE2 3.42Å; H26-E64 IonicContact CG-OE1 2.68Å; H26-E64 IonicContact ND1-OE1 3.4Å; H26-E64 PolarHBondContact ND1-OE1 3.18Å; H26-E64 IonicContact ND1-OE2 3.7Å; H26-E64 PolarHBondContact ND1-OE2 3.01Å; S29-E64 PolarHBondContact OG-OE1 3.08Å; F60-E64 HydrophobicContact CD2-CG 3.87Å; F60-E64 HydrophobicContact CE2-CG 3.73Å; F60-E64 HydrophobicContact CZ-CG 4.48Å; F60-E64 WeakPolarHBondContact O-CB 3.4Å; F60-E64 WeakPolarHBondContact O-CG 3.37Å; F60-E64 PolarHBondContact O-N 3.4Å; E64-I66 PolarHBondContact O-N 3.35Å; E64-L67 PolarHBondContact O-N 3.26Å; E64-L67 VanDerWaalsContact O-N 3.14Å; E64-L68 WeakPolarHBondContact O-CG 3.24Å; E64-L68 PolarHBondContact O-N 3.24Å; E64-L91 HydrophobicContact CB-CD1 4.26Å
65A98.1Very high95.1Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-57.5-35.8176.800000112.7F61 M62 T63 H88 L91 Q92F61-A65 WeakPolarHBondContact O-CB 3.49Å; F61-A65 PolarHBondContact O-N 3.28Å; M62-A65 PolarHBondContact O-N 3.04Å; T63-A65 VanDerWaalsContact C-N 3.33Å; T63-A65 PolarHBondContact O-N 3.45Å; A65-H88 PolarHBondContact O-ND1 2.89Å; A65-L91 HydrophobicContact CB-CB 3.76Å; A65-L91 HydrophobicContact CB-CD1 4.19Å; A65-Q92 HydrophobicContact CB-CG 4.04Å
66I97.2Very high94.7Very high23 Ų2328.9 Ų28.912%0.11816%0.155CC..Hα-helixtrans-76.4-44.2176.3-66.3166.4000110.6M62 T63 E64 L68 F69 F169 I208 V212M62-I66 HydrophobicContact CG-CD1 4.08Å; M62-I66 WeakPolarHBondContact O-CG1 3.46Å; M62-I66 PolarHBondContact O-N 3.06Å; M62-I66 VanDerWaalsContact O-N 3.1Å; T63-I66 PolarHBondContact O-N 3.5Å; T63-I66 VanDerWaalsContact O-N 3.14Å; E64-I66 PolarHBondContact O-N 3.35Å; I66-L68 PolarHBondContact O-N 2.83Å; I66-F69 PolarHBondContact O-N 3.49Å; I66-F69 VanDerWaalsContact O-N 3.13Å; I66-F169 HydrophobicContact CD1-CB 3.95Å; I66-F169 HydrophobicContact CD1-CD2 3.7Å; I66-F169 HydrophobicContact CD1-CE2 4.38Å; I66-F169 HydrophobicContact CD1-CG 3.81Å; I66-I208 HydrophobicContact CB-CD1 4.43Å; I66-I208 HydrophobicContact CD1-CD1 4.44Å; I66-I208 HydrophobicContact CD1-CG2 4.31Å; I66-I208 HydrophobicContact CG2-CD1 4.29Å; I66-I208 HydrophobicContact CG2-CG1 4.22Å; I66-I208 HydrophobicContact CG2-CG2 3.93Å; I66-V212 HydrophobicContact CG2-CG2 4.48Å
67L96.3Very high94.3Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-64.9-20.6-178.6-67.5-177.5000113.5V22 T25 H26 T63 E64 F69 S70 S74 I208V22-L67 HydrophobicContact CG1-CD2 4.11Å; T25-L67 HydrophobicContact CG2-CD1 3.83Å; H26-L67 VanDerWaalsContact CE1-CD1 3.4Å; H26-L67 WeakPolarHBondContact CE1-CD1 3.43Å; T63-L67 HydrophobicContact CG2-CD1 4.01Å; T63-L67 HydrophobicContact CG2-CG 4.42Å; T63-L67 WeakPolarHBondContact O-CG 3.48Å; T63-L67 PolarHBondContact O-N 2.67Å; E64-L67 PolarHBondContact O-N 3.26Å; E64-L67 VanDerWaalsContact O-N 3.14Å; L67-F69 PolarHBondContact O-N 2.85Å; L67-S70 WeakPolarHBondContact O-CB 3.23Å; L67-S70 PolarHBondContact O-N 3.26Å; L67-S74 WeakPolarHBondContact O-CB 3.41Å; L67-I208 HydrophobicContact CD2-CG1 4.26Å
68L95.9Very high93.9Very high8 Ų846.1 Ų46.14%0.04222%0.222CC..THydrogen-bonded Turntrans-50.1-33.1169.5-70.2-176.8000113.3E64 I66 S74 L76 K84 V87 H88 L91E64-L68 WeakPolarHBondContact O-CG 3.24Å; E64-L68 PolarHBondContact O-N 3.24Å; I66-L68 PolarHBondContact O-N 2.83Å; L68-S74 VanDerWaalsContact O-CB 3.32Å; L68-S74 WeakPolarHBondContact O-CB 3.39Å; L68-S74 PolarHBondContact O-OG 2.88Å; L68-L76 HydrophobicContact CD2-CB 4.32Å; L68-L76 HydrophobicContact CD2-CD1 3.72Å; L68-L76 HydrophobicContact CD2-CG 3.88Å; L68-K84 WeakPolarHBondContact O-CD 3.48Å; L68-V87 HydrophobicContact CD1-CB 3.74Å; L68-V87 HydrophobicContact CD1-CG1 3.61Å; L68-V87 HydrophobicContact CD2-CG1 4.33Å; L68-H88 HydrophobicContact CD1-CB 4.15Å; L68-L91 HydrophobicContact CD1-CD1 4.13Å
69F93.1Very high93.5Very high75 Ų7550.9 Ų50.933%0.32924%0.243SC..THydrogen-bonded Turntrans-95.44-179.1-61.2-74.6000113.8I66 L67 H81 K84 H88I66-F69 PolarHBondContact O-N 3.49Å; I66-F69 VanDerWaalsContact O-N 3.13Å; L67-F69 PolarHBondContact O-N 2.85Å; F69-H81 AromaticContact CE1-CE1 3.54Å; F69-H81 AromaticContact CE1-ND1 3.96Å; F69-H81 AromaticContact CE1-NE2 3.85Å; F69-K84 HydrophobicContact CD1-CB 4.27Å; F69-K84 HydrophobicContact CD1-CD 4.44Å; F69-K84 HydrophobicContact CE1-CB 3.63Å; F69-K84 HydrophobicContact CZ-CB 4.03Å; F69-H88 HydrophobicContact CE2-CB 3.73Å; F69-H88 AromaticContact CE2-CG 3.7Å; F69-H88 AromaticContact CE2-ND1 3.64Å; F69-H88 HydrophobicContact CZ-CB 4.03Å
70S90.9Very high93.3Very high2 Ų254.5 Ų54.51%0.01426%0.264CS..  trans-63.4126.4175.8-170.80000111.6L67 H72 G73 S74 Q211L67-S70 WeakPolarHBondContact O-CB 3.23Å; L67-S70 PolarHBondContact O-N 3.26Å; S70-H72 PolarHBondContact O-N 3.21Å; S70-H72 PolarHBondContact OG-N 3.45Å; S70-G73 PolarHBondContact OG-N 3.11Å; S70-S74 WeakPolarHBondContact O-CB 3.45Å; S70-S74 PolarHBondContact O-N 3.35Å; S70-Q211 PolarHBondContact OG-OE1 3.26Å
71P84.5Confident92.9Very high77 Ų7756.9 Ų56.950%0.528%0.276SS..THydrogen-bonded Turntrans-72.8-2117328.1-31.3000112.5
72H85.6Confident92.5Very high65 Ų6562.6 Ų62.630%0.30130%0.301SS..THydrogen-bonded Turntrans-99.2-23.1-169.9-60.6-62.4000114R18 S70R18-H72 HydrophobicContact CB-CB 4.09Å; R18-H72 VanDerWaalsContact CD-NE2 3.33Å; R18-H72 WeakPolarHBondContact CD-NE2 3.3Å; R18-H72 PolarHBondContact NH1-NE2 3.45Å; S70-H72 PolarHBondContact O-N 3.21Å; S70-H72 PolarHBondContact OG-N 3.45Å
73G85.4Confident92.3Very high23 Ų2364.6 Ų64.624%0.23731%0.314CS..THydrogen-bonded Turntrans-154.718.6-176.400000116.6H26 S70 L75H26-G73 PolarHBondContact NE2-O 3.36Å; H26-G73 VanDerWaalsContact NE2-O 3.13Å; S70-G73 PolarHBondContact OG-N 3.11Å; G73-L75 PolarHBondContact O-N 2.85Å
74S91.8Very high92.1Very high8 Ų865.9 Ų65.96%0.05632%0.319CS..  trans-58.4126.3177.9170.50000112.4L67 L68 S70 L76 K77L67-S74 WeakPolarHBondContact O-CB 3.41Å; L68-S74 VanDerWaalsContact O-CB 3.32Å; L68-S74 WeakPolarHBondContact O-CB 3.39Å; L68-S74 PolarHBondContact O-OG 2.88Å; S70-S74 WeakPolarHBondContact O-CB 3.45Å; S70-S74 PolarHBondContact O-N 3.35Å; S74-L76 PolarHBondContact O-N 3.2Å; S74-L76 PolarHBondContact OG-N 3Å; S74-K77 VanDerWaalsContact O-CB 3.3Å; S74-K77 WeakPolarHBondContact O-CB 3.24Å; S74-K77 PolarHBondContact O-N 2.79Å; S74-K77 PolarHBondContact OG-N 2.91Å
75L91.1Very high92Very high125 Ų12566.3 Ų66.365%0.65433%0.328SS*.THydrogen-bonded Turntrans-61.3-23.2173.6-61.3179.7000112.9G73G73-L75 PolarHBondContact O-N 2.85Å
76L91.6Very high91.8Very high37 Ų3773.2 Ų73.219%0.19435%0.354CS..THydrogen-bonded Turntrans-105.228.6175.3-59.8-172.9000112.3L68 S74 R78 F79 K84 V87L68-L76 HydrophobicContact CD2-CB 4.32Å; L68-L76 HydrophobicContact CD2-CD1 3.72Å; L68-L76 HydrophobicContact CD2-CG 3.88Å; S74-L76 PolarHBondContact O-N 3.2Å; S74-L76 PolarHBondContact OG-N 3Å; L76-R78 PolarHBondContact O-N 3.36Å; L76-R78 VanDerWaalsContact O-N 3.08Å; L76-F79 HydrophobicContact CB-CB 4.23Å; L76-F79 HydrophobicContact CB-CD2 3.82Å; L76-F79 HydrophobicContact CB-CG 4.34Å; L76-F79 HydrophobicContact CD2-CD2 3.7Å; L76-F79 HydrophobicContact CD2-CE2 3.7Å; L76-F79 HydrophobicContact CG-CD2 4.29Å; L76-F79 WeakPolarHBondContact O-CB 3.34Å; L76-F79 PolarHBondContact O-N 2.86Å; L76-K84 HydrophobicContact CB-CG 4.39Å; L76-K84 WeakPolarHBondContact O-CE 3.37Å; L76-K84 PolarHBondContact O-NZ 3.17Å; L76-V87 HydrophobicContact CD1-CB 4.19Å; L76-V87 HydrophobicContact CD1-CG1 4.17Å; L76-V87 HydrophobicContact CD1-CG2 3.83Å
77K89.2Confident91.9Very high137 Ų13774.2 Ų74.260%0.59636%0.361SS*.THydrogen-bonded Turntrans-48.3-43-174-172.8172.7-177175.60113.7S74 F79 K84S74-K77 VanDerWaalsContact O-CB 3.3Å; S74-K77 WeakPolarHBondContact O-CB 3.24Å; S74-K77 PolarHBondContact O-N 2.79Å; S74-K77 PolarHBondContact OG-N 2.91Å; K77-F79 VanDerWaalsContact C-N 3.33Å; K77-F79 PolarHBondContact O-N 3.4Å; K77-K84 PolarHBondContact O-NZ 3.4Å
78R90Very high91.9Very high249 Ų24975.6 Ų75.694%0.9437%0.367SS*.THydrogen-bonded Turntrans-76.2-13.2-178-63.4-178-179.4173.30.1114.4L76L76-R78 PolarHBondContact O-N 3.36Å; L76-R78 VanDerWaalsContact O-N 3.08Å
79F91.9Very high91.9Very high108 Ų10881.7 Ų81.747%0.47439%0.39SS..SBendtrans-83.2147.8-177.7-71.7-94.2000112.1L76 K77 T83 K84L76-F79 HydrophobicContact CB-CB 4.23Å; L76-F79 HydrophobicContact CB-CD2 3.82Å; L76-F79 HydrophobicContact CB-CG 4.34Å; L76-F79 HydrophobicContact CD2-CD2 3.7Å; L76-F79 HydrophobicContact CD2-CE2 3.7Å; L76-F79 HydrophobicContact CG-CD2 4.29Å; L76-F79 WeakPolarHBondContact O-CB 3.34Å; L76-F79 PolarHBondContact O-N 2.86Å; K77-F79 VanDerWaalsContact C-N 3.33Å; K77-F79 PolarHBondContact O-N 3.4Å; F79-T83 HydrophobicContact CB-CG2 4.34Å; F79-T83 HydrophobicContact CD1-CG2 3.97Å; F79-T83 HydrophobicContact CG-CG2 4.46Å; F79-K84 WeakPolarHBondContact O-CE 3.34Å
80P93.2Very high92.1Very high85 Ų8582 Ų8255%0.55239%0.394SS*.  trans-58.8151.8175.3-23.332.8000112.8K82 T83 K84P80-K82 PolarHBondContact O-N 2.9Å; P80-K82 VanDerWaalsContact O-N 3.13Å; P80-T83 WeakPolarHBondContact O-CB 3.25Å; P80-T83 PolarHBondContact O-N 2.96Å; P80-K84 PolarHBondContact O-N 3.48Å; P80-K84 VanDerWaalsContact O-N 3.1Å
81H89.8Confident92.5Very high116 Ų11683.3 Ų83.354%0.53740%0.401SS..Hα-helixtrans-57.7-30.5178-167.1-56.4000112.9F69 K84 G85F69-H81 AromaticContact CE1-CE1 3.54Å; F69-H81 AromaticContact CE1-ND1 3.96Å; F69-H81 AromaticContact CE1-NE2 3.85Å; H81-K84 PolarHBondContact O-N 3.29Å; H81-G85 PolarHBondContact O-N 3.35Å
82K90.9Very high93.2Very high154 Ų15481 Ų8167%0.6738%0.383SS*.Hα-helixtrans-63.1-42.5174.8-171.8177.5-178177.80111.7P80 G85 R86P80-K82 PolarHBondContact O-N 2.9Å; P80-K82 VanDerWaalsContact O-N 3.13Å; K82-G85 PolarHBondContact O-N 3.38Å; K82-R86 PolarHBondContact O-N 2.96Å; K82-R86 VanDerWaalsContact O-N 3.07Å
83T94.6Very high93.8Very high46 Ų4680.5 Ų80.528%0.28239%0.387SS..Hα-helixtrans-67.4-45.3176.6-54.20000111F79 P80 G85 R86 V87F79-T83 HydrophobicContact CB-CG2 4.34Å; F79-T83 HydrophobicContact CD1-CG2 3.97Å; F79-T83 HydrophobicContact CG-CG2 4.46Å; P80-T83 WeakPolarHBondContact O-CB 3.25Å; P80-T83 PolarHBondContact O-N 2.96Å; T83-G85 VanDerWaalsContact C-N 3.26Å; T83-G85 PolarHBondContact O-N 2.96Å; T83-R86 WeakPolarHBondContact O-CA 3.48Å; T83-R86 WeakPolarHBondContact O-CB 3.48Å; T83-R86 PolarHBondContact O-N 3.34Å; T83-V87 WeakPolarHBondContact O-CG2 3.47Å; T83-V87 PolarHBondContact O-N 3.45Å
84K95.2Very high94.4Very high28 Ų2883.1 Ų83.112%0.12240%0.395CS..Hα-helixtrans-56.6-42.2173.8-65.6178.3176.5-176.80111.8L68 F69 L76 K77 F79 P80 H81 R86 V87 H88L68-K84 WeakPolarHBondContact O-CD 3.48Å; F69-K84 HydrophobicContact CD1-CB 4.27Å; F69-K84 HydrophobicContact CD1-CD 4.44Å; F69-K84 HydrophobicContact CE1-CB 3.63Å; F69-K84 HydrophobicContact CZ-CB 4.03Å; L76-K84 HydrophobicContact CB-CG 4.39Å; L76-K84 WeakPolarHBondContact O-CE 3.37Å; L76-K84 PolarHBondContact O-NZ 3.17Å; K77-K84 PolarHBondContact O-NZ 3.4Å; F79-K84 WeakPolarHBondContact O-CE 3.34Å; P80-K84 PolarHBondContact O-N 3.48Å; P80-K84 VanDerWaalsContact O-N 3.1Å; H81-K84 PolarHBondContact O-N 3.29Å; K84-R86 VanDerWaalsContact C-N 3.33Å; K84-R86 PolarHBondContact O-N 2.88Å; K84-V87 PolarHBondContact O-N 3.24Å; K84-H88 VanDerWaalsContact O-CB 3.24Å; K84-H88 WeakPolarHBondContact O-CB 3.17Å; K84-H88 PolarHBondContact O-N 2.99Å
85G94.9Very high94.7Very high26 Ų2682.7 Ų82.727%0.26839%0.393SS..Hα-helixtrans-58.4-42.1173.400000113H81 K82 T83 H88 W89H81-G85 PolarHBondContact O-N 3.35Å; K82-G85 PolarHBondContact O-N 3.38Å; T83-G85 VanDerWaalsContact C-N 3.26Å; T83-G85 PolarHBondContact O-N 2.96Å; G85-H88 PolarHBondContact O-N 2.81Å; G85-W89 VanDerWaalsContact O-CD1 3.25Å; G85-W89 PolarHBondContact O-N 3.38Å
86R95.4Very high95.1Very high145 Ų14577.4 Ų77.455%0.54737%0.368SS..Hα-helixtrans-62.9-50.5175.9-72.2177.4176.4178.4-4.7112.5K82 T83 K84 H88 W89 I90K82-R86 PolarHBondContact O-N 2.96Å; K82-R86 VanDerWaalsContact O-N 3.07Å; T83-R86 WeakPolarHBondContact O-CA 3.48Å; T83-R86 WeakPolarHBondContact O-CB 3.48Å; T83-R86 PolarHBondContact O-N 3.34Å; K84-R86 VanDerWaalsContact C-N 3.33Å; K84-R86 PolarHBondContact O-N 2.88Å; R86-H88 VanDerWaalsContact C-N 3.28Å; R86-H88 PolarHBondContact O-N 3.46Å; R86-W89 VanDerWaalsContact CA-CD1 3.44Å; R86-W89 PolarHBondContact O-N 3.27Å; R86-W89 PolarHBondContact O-NE1 2.87Å; R86-I90 WeakPolarHBondContact O-CG1 3.37Å; R86-I90 PolarHBondContact O-N 3.12Å
87V97.7Very high95.4Very high44 Ų4478.8 Ų78.827%0.26738%0.381SS..Hα-helixtrans-63-39.3178.7-177.40000110.4L68 L76 T83 K84 I90 L91L68-V87 HydrophobicContact CD1-CB 3.74Å; L68-V87 HydrophobicContact CD1-CG1 3.61Å; L68-V87 HydrophobicContact CD2-CG1 4.33Å; L76-V87 HydrophobicContact CD1-CB 4.19Å; L76-V87 HydrophobicContact CD1-CG1 4.17Å; L76-V87 HydrophobicContact CD1-CG2 3.83Å; T83-V87 WeakPolarHBondContact O-CG2 3.47Å; T83-V87 PolarHBondContact O-N 3.45Å; K84-V87 PolarHBondContact O-N 3.24Å; V87-I90 PolarHBondContact O-N 2.93Å; V87-L91 HydrophobicContact CG1-CD1 3.95Å; V87-L91 HydrophobicContact CG1-CG 4.2Å; V87-L91 WeakPolarHBondContact O-CG 3.37Å; V87-L91 PolarHBondContact O-N 3.43Å
88H97.3Very high95.9Very high29 Ų2973.1 Ų73.113%0.13436%0.358CS..Hα-helixtrans-56.7-52.9177.6177.581.5000112.7A65 L68 F69 K84 G85 R86 I90 L91 Q92 H161A65-H88 PolarHBondContact O-ND1 2.89Å; L68-H88 HydrophobicContact CD1-CB 4.15Å; F69-H88 HydrophobicContact CE2-CB 3.73Å; F69-H88 AromaticContact CE2-CG 3.7Å; F69-H88 AromaticContact CE2-ND1 3.64Å; F69-H88 HydrophobicContact CZ-CB 4.03Å; K84-H88 VanDerWaalsContact O-CB 3.24Å; K84-H88 WeakPolarHBondContact O-CB 3.17Å; K84-H88 PolarHBondContact O-N 2.99Å; G85-H88 PolarHBondContact O-N 2.81Å; R86-H88 VanDerWaalsContact C-N 3.28Å; R86-H88 PolarHBondContact O-N 3.46Å; H88-I90 VanDerWaalsContact C-N 3.31Å; H88-I90 PolarHBondContact O-N 3.4Å; H88-L91 PolarHBondContact O-N 2.95Å; H88-Q92 WeakPolarHBondContact O-CB 3.3Å; H88-Q92 VanDerWaalsContact O-CG 3.27Å; H88-Q92 WeakPolarHBondContact O-CG 3.41Å; H88-Q92 PolarHBondContact O-N 3.4Å; H88-H161 AromaticContact NE2-NE2 3.9Å
89W96Very high96.3Very high136 Ų13661.3 Ų61.352%0.51531%0.314SS..Hα-helixtrans-70-29.1-178.179.2-96.8000112.6G85 R86 Q92 S93G85-W89 VanDerWaalsContact O-CD1 3.25Å; G85-W89 PolarHBondContact O-N 3.38Å; R86-W89 VanDerWaalsContact CA-CD1 3.44Å; R86-W89 PolarHBondContact O-N 3.27Å; R86-W89 PolarHBondContact O-NE1 2.87Å; W89-Q92 PolarHBondContact O-N 3.47Å; W89-S93 WeakPolarHBondContact O-CB 3.43Å; W89-S93 PolarHBondContact O-N 3.32Å; W89-S93 PolarHBondContact O-OG 3.14Å
90I98.1Very high96.6Very high81 Ų8159.5 Ų59.542%0.41531%0.312SS..Hα-helixtrans-62.5-52.2171.6-68.7166.8000110.1R86 V87 H88 Q92 S93 L94R86-I90 WeakPolarHBondContact O-CG1 3.37Å; R86-I90 PolarHBondContact O-N 3.12Å; V87-I90 PolarHBondContact O-N 2.93Å; H88-I90 VanDerWaalsContact C-N 3.31Å; H88-I90 PolarHBondContact O-N 3.4Å; I90-Q92 VanDerWaalsContact C-N 3.31Å; I90-Q92 PolarHBondContact O-N 3.37Å; I90-S93 WeakPolarHBondContact O-CB 3.25Å; I90-S93 PolarHBondContact O-N 2.9Å; I90-S93 VanDerWaalsContact O-N 3.12Å; I90-L94 HydrophobicContact CG2-CD1 4.35Å; I90-L94 WeakPolarHBondContact O-CG 3.13Å; I90-L94 PolarHBondContact O-N 3.28Å
91L98.5Very high96.9Very high30 Ų3060.4 Ų60.416%0.15731%0.311CS..Hα-helixtrans-61.9-38.9178.6-66.9177.5000111.7F61 E64 A65 L68 V87 H88 S93 L94 C95F61-L91 HydrophobicContact CD1-CD2 3.89Å; F61-L91 HydrophobicContact CE1-CD2 4.32Å; E64-L91 HydrophobicContact CB-CD1 4.26Å; A65-L91 HydrophobicContact CB-CB 3.76Å; A65-L91 HydrophobicContact CB-CD1 4.19Å; L68-L91 HydrophobicContact CD1-CD1 4.13Å; V87-L91 HydrophobicContact CG1-CD1 3.95Å; V87-L91 HydrophobicContact CG1-CG 4.2Å; V87-L91 WeakPolarHBondContact O-CG 3.37Å; V87-L91 PolarHBondContact O-N 3.43Å; H88-L91 PolarHBondContact O-N 2.95Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.96Å; L91-L94 PolarHBondContact O-N 3.1Å; L91-C95 WeakPolarHBondContact O-CB 3.49Å; L91-C95 PolarHBondContact O-N 3.23Å
92Q98.3Very high97.3Very high29 Ų2954.9 Ų54.914%0.13629%0.286CS..Hα-helixtrans-69.2-30.7175.3-66.5-68.13500113.1A65 H88 W89 I90 C95 G96A65-Q92 HydrophobicContact CB-CG 4.04Å; H88-Q92 WeakPolarHBondContact O-CB 3.3Å; H88-Q92 VanDerWaalsContact O-CG 3.27Å; H88-Q92 WeakPolarHBondContact O-CG 3.41Å; H88-Q92 PolarHBondContact O-N 3.4Å; W89-Q92 PolarHBondContact O-N 3.47Å; I90-Q92 VanDerWaalsContact C-N 3.31Å; I90-Q92 PolarHBondContact O-N 3.37Å; Q92-C95 WeakPolarHBondContact O-CB 3.42Å; Q92-C95 PolarHBondContact O-N 2.95Å; Q92-G96 PolarHBondContact O-N 3.37Å
93S98.3Very high97.7Very high55 Ų5549.1 Ų49.139%0.38526%0.262SS..Hα-helixtrans-67.9-42.6172.7-57.80000110.8W89 I90 L91 G96 S97W89-S93 WeakPolarHBondContact O-CB 3.43Å; W89-S93 PolarHBondContact O-N 3.32Å; W89-S93 PolarHBondContact O-OG 3.14Å; I90-S93 WeakPolarHBondContact O-CB 3.25Å; I90-S93 PolarHBondContact O-N 2.9Å; I90-S93 VanDerWaalsContact O-N 3.12Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 2.96Å; S93-G96 PolarHBondContact O-N 2.91Å; S93-S97 WeakPolarHBondContact O-CB 3.45Å; S93-S97 PolarHBondContact O-N 3.45Å; S93-S97 PolarHBondContact O-OG 3.07Å; S93-S97 VanDerWaalsContact O-OG 3.07Å
94L98.8Very high97.9Very high77 Ų7749.4 Ų49.440%0.40327%0.269SS..Hα-helixtrans-62.7-43.3172.9-66.4172.9000111.5F61 I90 L91 G96 S97 C98F61-L94 HydrophobicContact CD1-CB 4.25Å; F61-L94 HydrophobicContact CD1-CD1 4.36Å; F61-L94 HydrophobicContact CD2-CB 3.87Å; F61-L94 HydrophobicContact CE1-CB 4.2Å; F61-L94 HydrophobicContact CE1-CD1 3.82Å; F61-L94 HydrophobicContact CE2-CB 3.8Å; F61-L94 HydrophobicContact CG-CB 4.1Å; F61-L94 HydrophobicContact CZ-CB 3.98Å; F61-L94 HydrophobicContact CZ-CD1 3.97Å; I90-L94 HydrophobicContact CG2-CD1 4.35Å; I90-L94 WeakPolarHBondContact O-CG 3.13Å; I90-L94 PolarHBondContact O-N 3.28Å; L91-L94 PolarHBondContact O-N 3.1Å; L94-G96 PolarHBondContact O-N 3.21Å; L94-S97 PolarHBondContact O-N 3.13Å; L94-C98 WeakPolarHBondContact O-CB 3.19Å; L94-C98 PolarHBondContact O-N 3.14Å; L94-C98 PolarHBondContact O-SG 3.22Å
95C98.8Very high98.1Very high0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-55.4-51.3172.7177.30000111.5A57 F61 M62 L91 Q92 S97 C98 A99A57-C95 WeakPolarHBondContact CB-O 3.41Å; A57-C95 PolarHBondContact O-SG 3.4Å; F61-C95 HydrophobicContact CB-CB 3.86Å; M62-C95 VanDerWaalsContact CE-SG 3.55Å; L91-C95 WeakPolarHBondContact O-CB 3.49Å; L91-C95 PolarHBondContact O-N 3.23Å; Q92-C95 WeakPolarHBondContact O-CB 3.42Å; Q92-C95 PolarHBondContact O-N 2.95Å; C95-S97 PolarHBondContact O-N 3.29Å; C95-C98 PolarHBondContact O-N 2.72Å; C95-A99 VanDerWaalsContact O-CB 3.3Å; C95-A99 WeakPolarHBondContact O-CB 3.45Å; C95-A99 PolarHBondContact O-N 3.41Å
96G98.7Very high98.3Very high13 Ų1348.7 Ų48.713%0.13426%0.262CS..Hα-helixtrans-59.6-46.1179.100000112.2Q92 S93 L94 A99 V100Q92-G96 PolarHBondContact O-N 3.37Å; S93-G96 PolarHBondContact O-N 2.91Å; L94-G96 PolarHBondContact O-N 3.21Å; G96-A99 PolarHBondContact O-N 2.98Å; G96-V100 WeakPolarHBondContact O-CG2 3.33Å; G96-V100 PolarHBondContact O-N 3.03Å
97S98.8Very high98.4Very high66 Ų6647.5 Ų47.546%0.46226%0.258SS..Hα-helixtrans-60-48.6176.7-64.40000112.2S93 L94 C95 A99 V100 L101S93-S97 WeakPolarHBondContact O-CB 3.45Å; S93-S97 PolarHBondContact O-N 3.45Å; S93-S97 PolarHBondContact O-OG 3.07Å; S93-S97 VanDerWaalsContact O-OG 3.07Å; L94-S97 PolarHBondContact O-N 3.13Å; C95-S97 PolarHBondContact O-N 3.29Å; S97-A99 VanDerWaalsContact C-N 3.35Å; S97-A99 PolarHBondContact O-N 3.46Å; S97-V100 PolarHBondContact O-N 2.94Å; S97-L101 WeakPolarHBondContact O-CB 3.44Å; S97-L101 VanDerWaalsContact O-CG 3.25Å; S97-L101 WeakPolarHBondContact O-CG 3.5Å; S97-L101 PolarHBondContact O-N 3.45Å
98C98.9Very high98.5Very high19 Ų1951.1 Ų51.113%0.12827%0.268CS..Hα-helixtrans-61.4-42176.4-73.30000111.9L53 A57 L94 C95 L101 G102L53-C98 HydrophobicContact CB-CB 4.46Å; L53-C98 HydrophobicContact CD2-CB 4.39Å; A57-C98 HydrophobicContact CB-CB 3.73Å; L94-C98 WeakPolarHBondContact O-CB 3.19Å; L94-C98 PolarHBondContact O-N 3.14Å; L94-C98 PolarHBondContact O-SG 3.22Å; C95-C98 PolarHBondContact O-N 2.72Å; C98-L101 PolarHBondContact O-N 3.03Å; C98-G102 PolarHBondContact O-N 2.84Å
99A98.8Very high98.5Very high0 Ų051.1 Ų51.10%027%0.269CS..Hα-helixtrans-63.4-44.6178.800000112.1M54 A57 F58 C95 G96 S97 L103 V130M54-A99 VanDerWaalsContact CE-O 3.24Å; M54-A99 WeakPolarHBondContact CE-O 3.33Å; A57-A99 HydrophobicContact CB-CB 4.2Å; F58-A99 HydrophobicContact CE2-CB 4.06Å; F58-A99 HydrophobicContact CZ-CB 4.06Å; C95-A99 VanDerWaalsContact O-CB 3.3Å; C95-A99 WeakPolarHBondContact O-CB 3.45Å; C95-A99 PolarHBondContact O-N 3.41Å; G96-A99 PolarHBondContact O-N 2.98Å; S97-A99 VanDerWaalsContact C-N 3.35Å; S97-A99 PolarHBondContact O-N 3.46Å; A99-L103 WeakPolarHBondContact O-CB 3.14Å; A99-L103 PolarHBondContact O-N 2.93Å; A99-V130 HydrophobicContact CB-CG1 4.48Å; A99-V130 HydrophobicContact CB-CG2 4.21Å
100V98.9Very high98.6Very high71 Ų7147 Ų4743%0.4326%0.255SS..Hα-helixtrans-64.9-47176.5170.60000111.1G96 S97 L103 A104 V130G96-V100 WeakPolarHBondContact O-CG2 3.33Å; G96-V100 PolarHBondContact O-N 3.03Å; S97-V100 PolarHBondContact O-N 2.94Å; V100-L103 PolarHBondContact O-N 3.05Å; V100-A104 WeakPolarHBondContact O-CB 3.33Å; V100-A104 PolarHBondContact O-N 3.45Å; V100-V130 HydrophobicContact CG2-CG1 4.17Å
101L98.8Very high98.6Very high104 Ų10450.7 Ų50.755%0.54526%0.264SS..Hα-helixtrans-65.4-40.3179.3-70.2172.7000112L53 S97 C98 L103 A104 A105L53-L101 HydrophobicContact CD1-CB 3.8Å; S97-L101 WeakPolarHBondContact O-CB 3.44Å; S97-L101 VanDerWaalsContact O-CG 3.25Å; S97-L101 WeakPolarHBondContact O-CG 3.5Å; S97-L101 PolarHBondContact O-N 3.45Å; C98-L101 PolarHBondContact O-N 3.03Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.31Å; L101-A104 PolarHBondContact O-N 3.49Å; L101-A105 WeakPolarHBondContact O-CB 3.19Å; L101-A105 PolarHBondContact O-N 3.45Å
102G98.8Very high98.6Very high0 Ų053.7 Ų53.70%028%0.28CS..Hα-helixtrans-64.3-35.3174.700000112.4H50 C98 I106H50-G102 PolarHBondContact ND1-O 2.69Å; C98-G102 PolarHBondContact O-N 2.84Å; G102-I106 PolarHBondContact O-N 3.18Å
103L98.8Very high98.6Very high32 Ų3256.7 Ų56.717%0.16830%0.297CS..Hα-helixtrans-71-43.4176.1179.461.6000110.6M54 A99 V100 L101 A105 I106 Y107 F118 L127 V130M54-L103 HydrophobicContact CE-CB 3.85Å; A99-L103 WeakPolarHBondContact O-CB 3.14Å; A99-L103 PolarHBondContact O-N 2.93Å; V100-L103 PolarHBondContact O-N 3.05Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.31Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 2.96Å; L103-I106 HydrophobicContact CD1-CG2 4.17Å; L103-I106 WeakPolarHBondContact O-CG2 3.49Å; L103-I106 PolarHBondContact O-N 3.29Å; L103-Y107 VanDerWaalsContact O-CB 3.25Å; L103-Y107 WeakPolarHBondContact O-CB 3.38Å; L103-Y107 PolarHBondContact O-N 2.88Å; L103-F118 HydrophobicContact CD1-CE1 4.07Å; L103-L127 HydrophobicContact CD2-CD1 3.84Å; L103-V130 HydrophobicContact CB-CG2 4.42Å; L103-V130 HydrophobicContact CD2-CB 4.11Å; L103-V130 HydrophobicContact CD2-CG1 3.99Å; L103-V130 HydrophobicContact CD2-CG2 4.23Å
104A98.8Very high98.5Very high52 Ų5257.7 Ų57.743%0.4332%0.316SS..Hα-helixtrans-59.7-41.7174.700000111.4V100 L101 Y107 Y108V100-A104 WeakPolarHBondContact O-CB 3.33Å; V100-A104 PolarHBondContact O-N 3.45Å; L101-A104 PolarHBondContact O-N 3.49Å; A104-Y107 PolarHBondContact O-N 2.92Å; A104-Y108 VanDerWaalsContact O-CB 3.31Å; A104-Y108 WeakPolarHBondContact O-CB 3.23Å; A104-Y108 PolarHBondContact O-N 3.12Å
105A98.7Very high98.4Very high12 Ų1260 Ų6010%0.09932%0.323CS..Hα-helixtrans-59.3-51.6176.800000112.1V46 W49 H50 L101 L103 Y107 Y108 N109V46-A105 HydrophobicContact CG1-CB 4.46Å; V46-A105 WeakPolarHBondContact CG1-O 2.91Å; W49-A105 HydrophobicContact CB-CB 3.93Å; H50-A105 HydrophobicContact CB-CB 4.48Å; L101-A105 WeakPolarHBondContact O-CB 3.19Å; L101-A105 PolarHBondContact O-N 3.45Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 2.96Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 3.37Å; A105-Y108 PolarHBondContact O-N 3.3Å; A105-N109 VanDerWaalsContact O-CB 3.23Å; A105-N109 WeakPolarHBondContact O-CB 3.32Å; A105-N109 PolarHBondContact O-N 3.46Å
106I98.5Very high98.3Very high28 Ų2863 Ų6314%0.14435%0.347CS..Hα-helixtrans-67.5-35.5178.5-171.957.1000112.4F47 H50 G102 L103 K110F47-I106 HydrophobicContact CD2-CD1 3.55Å; F47-I106 HydrophobicContact CE2-CD1 3.7Å; H50-I106 HydrophobicContact CB-CB 3.93Å; H50-I106 WeakPolarHBondContact ND1-CG2 3.3Å; G102-I106 PolarHBondContact O-N 3.18Å; L103-I106 HydrophobicContact CD1-CG2 4.17Å; L103-I106 WeakPolarHBondContact O-CG2 3.49Å; L103-I106 PolarHBondContact O-N 3.29Å; I106-K110 HydrophobicContact CD1-CG 4.48Å; I106-K110 HydrophobicContact CG1-CD 4.43Å; I106-K110 WeakPolarHBondContact O-CB 3.17Å; I106-K110 WeakPolarHBondContact O-CG 3.29Å; I106-K110 PolarHBondContact O-N 2.99Å
107Y98.7Very high98.2Very high119 Ų11964.8 Ų64.847%0.46735%0.352SS..Hα-helixtrans-62.4-50.5176.7-177.2-83.4000110.9L103 A104 A105 K110 Y111 H117 F118L103-Y107 VanDerWaalsContact O-CB 3.25Å; L103-Y107 WeakPolarHBondContact O-CB 3.38Å; L103-Y107 PolarHBondContact O-N 2.88Å; A104-Y107 PolarHBondContact O-N 2.92Å; A105-Y107 VanDerWaalsContact C-N 3.34Å; A105-Y107 PolarHBondContact O-N 3.37Å; Y107-K110 PolarHBondContact O-N 3.46Å; Y107-Y111 PolarHBondContact O-N 3.39Å; Y107-H117 AromaticContact CD2-CD2 3.27Å; Y107-H117 WeakPolarHBondContact CD2-CD2 3.39Å; Y107-H117 AromaticContact CD2-NE2 3.63Å; Y107-H117 AromaticContact CE2-CD2 3.54Å; Y107-H117 AromaticContact CE2-NE2 3.75Å; Y107-H117 AromaticContact CG-CD2 3.83Å; Y107-H117 AromaticContact CG-NE2 3.82Å; Y107-H117 PolarHBondContact O-NE2 2.81Å; Y107-F118 HydrophobicContact CD2-CE2 4.33Å; Y107-F118 HydrophobicContact CD2-CZ 4.01Å; Y107-F118 HydrophobicContact CE2-CE2 4.37Å; Y107-F118 HydrophobicContact CE2-CZ 4.48Å
108Y98.6Very high98.1Very high121 Ų12165 Ų6548%0.47535%0.345SS..Hα-helixtrans-67.2-40.6179.8-173.6-121.5000111.8V46 A104 A105 K110 Y111 L112V46-Y108 HydrophobicContact CG1-CD1 3.97Å; V46-Y108 HydrophobicContact CG2-CD1 4.41Å; A104-Y108 VanDerWaalsContact O-CB 3.31Å; A104-Y108 WeakPolarHBondContact O-CB 3.23Å; A104-Y108 PolarHBondContact O-N 3.12Å; A105-Y108 PolarHBondContact O-N 3.3Å; Y108-K110 VanDerWaalsContact C-N 3.31Å; Y108-K110 PolarHBondContact O-N 2.92Å; Y108-Y111 HydrophobicContact CD2-CD1 4.1Å; Y108-Y111 HydrophobicContact CE2-CD1 4.02Å; Y108-Y111 HydrophobicContact CE2-CE1 4.46Å; Y108-Y111 WeakPolarHBondContact O-CB 3.17Å; Y108-Y111 PolarHBondContact O-N 3.43Å; Y108-L112 HydrophobicContact CD1-CD1 3.97Å; Y108-L112 HydrophobicContact CD1-CG 4.39Å; Y108-L112 HydrophobicContact CE1-CD1 3.58Å; Y108-L112 HydrophobicContact CE1-CD2 4.37Å; Y108-L112 HydrophobicContact CE1-CG 4.06Å; Y108-L112 HydrophobicContact CE2-CD2 4.14Å; Y108-L112 HydrophobicContact CE2-CG 4.2Å; Y108-L112 WeakPolarHBondContact O-CG 3.12Å; Y108-L112 PolarHBondContact O-N 3.27Å
109N98.5Very high98Very high28 Ų2869.3 Ų69.315%0.1537%0.371CS..Hα-helixtrans-58.1-43.3173.6-177.178.2000111.8V46 F47 A105 L112 N113V46-N109 HydrophobicContact CB-CB 4.19Å; V46-N109 HydrophobicContact CG1-CB 3.98Å; F47-N109 HydrophobicContact CB-CB 4.49Å; A105-N109 VanDerWaalsContact O-CB 3.23Å; A105-N109 WeakPolarHBondContact O-CB 3.32Å; A105-N109 PolarHBondContact O-N 3.46Å; N109-L112 PolarHBondContact O-N 2.91Å; N109-N113 PolarHBondContact O-N 3.43Å; N109-N113 PolarHBondContact O-ND2 3.03Å
110K97.9Very high97.9Very high51 Ų5172.3 Ų72.322%0.22239%0.392CS..Hα-helixtrans-65.9-40176.1-81.7176.2165.4-77.30112.4I106 Y107 Y108 N113 G114 K115 A116 H117I106-K110 HydrophobicContact CD1-CG 4.48Å; I106-K110 HydrophobicContact CG1-CD 4.43Å; I106-K110 WeakPolarHBondContact O-CB 3.17Å; I106-K110 WeakPolarHBondContact O-CG 3.29Å; I106-K110 PolarHBondContact O-N 2.99Å; Y107-K110 PolarHBondContact O-N 3.46Å; Y108-K110 VanDerWaalsContact C-N 3.31Å; Y108-K110 PolarHBondContact O-N 2.92Å; K110-N113 CarbonylContact O-C 3.49Å; K110-N113 PolarHBondContact O-N 2.99Å; K110-G114 PolarHBondContact O-N 2.88Å; K110-G114 VanDerWaalsContact O-N 3.08Å; K110-K115 HydrophobicContact CB-CB 4.21Å; K110-K115 HydrophobicContact CG-CB 4.1Å; K110-K115 PolarHBondContact O-N 3.47Å; K110-A116 PolarHBondContact NZ-O 3.38Å; K110-H117 WeakPolarHBondContact CB-NE2 3.18Å
111Y98.2Very high97.9Very high157 Ų15778.1 Ų78.162%0.61641%0.406SS*.Hα-helixtrans-57.9-51174.1171.2-99.1000111.7Y107 Y108 N113 G114Y107-Y111 PolarHBondContact O-N 3.39Å; Y108-Y111 HydrophobicContact CD2-CD1 4.1Å; Y108-Y111 HydrophobicContact CE2-CD1 4.02Å; Y108-Y111 HydrophobicContact CE2-CE1 4.46Å; Y108-Y111 WeakPolarHBondContact O-CB 3.17Å; Y108-Y111 PolarHBondContact O-N 3.43Å; Y111-N113 PolarHBondContact O-N 2.87Å; Y111-N113 VanDerWaalsContact O-N 3.12Å; Y111-G114 PolarHBondContact O-N 3.49Å; Y111-G114 VanDerWaalsContact O-N 3.08Å
112L98.3Very high97.8Very high93 Ų9375.4 Ų75.449%0.48739%0.391SS..Hα-helixtrans-59.2-26.9178.3-70.6178.6000113.6V46 Y108 N109V46-L112 HydrophobicContact CG2-CD1 4.4Å; Y108-L112 HydrophobicContact CD1-CD1 3.97Å; Y108-L112 HydrophobicContact CD1-CG 4.39Å; Y108-L112 HydrophobicContact CE1-CD1 3.58Å; Y108-L112 HydrophobicContact CE1-CD2 4.37Å; Y108-L112 HydrophobicContact CE1-CG 4.06Å; Y108-L112 HydrophobicContact CE2-CD2 4.14Å; Y108-L112 HydrophobicContact CE2-CG 4.2Å; Y108-L112 WeakPolarHBondContact O-CG 3.12Å; Y108-L112 PolarHBondContact O-N 3.27Å; N109-L112 PolarHBondContact O-N 2.91Å
113N97.7Very high97.8Very high92 Ų9276.2 Ų76.249%0.49240%0.399SS..THydrogen-bonded Turntrans-102.88.9-178.3-71.8-90.6000113.3N109 K110 Y111 K115N109-N113 PolarHBondContact O-N 3.43Å; N109-N113 PolarHBondContact O-ND2 3.03Å; K110-N113 CarbonylContact O-C 3.49Å; K110-N113 PolarHBondContact O-N 2.99Å; Y111-N113 PolarHBondContact O-N 2.87Å; Y111-N113 VanDerWaalsContact O-N 3.12Å; N113-K115 HydrophobicContact CB-CD 4.32Å; N113-K115 HydrophobicContact CB-CG 4.09Å; N113-K115 PolarHBondContact O-N 3.13Å; N113-K115 VanDerWaalsContact O-N 3.16Å
114G97.6Very high97.8Very high76 Ų7678.3 Ų78.378%0.78441%0.41SS*.THydrogen-bonded Turntrans59.525.8-179.200000114.5K110 Y111K110-G114 PolarHBondContact O-N 2.88Å; K110-G114 VanDerWaalsContact O-N 3.08Å; Y111-G114 PolarHBondContact O-N 3.49Å; Y111-G114 VanDerWaalsContact O-N 3.08Å
115K96.8Very high97.7Very high125 Ų12577.9 Ų77.954%0.54340%0.401SS..PPolyproline II helixtrans-93.1138.7-176.8-65.7-173.1-179.9-179.10110.9K110 N113 H117K110-K115 HydrophobicContact CB-CB 4.21Å; K110-K115 HydrophobicContact CG-CB 4.1Å; K110-K115 PolarHBondContact O-N 3.47Å; N113-K115 HydrophobicContact CB-CD 4.32Å; N113-K115 HydrophobicContact CB-CG 4.09Å; N113-K115 PolarHBondContact O-N 3.13Å; N113-K115 VanDerWaalsContact O-N 3.16Å; K115-H117 PolarHBondContact O-ND1 2.94Å
116A96.5Very high97.7Very high63 Ų6378.1 Ų78.152%0.52140%0.404SS..PPolyproline II helixtrans-59.3147172.600000112.5K110 T119K110-A116 PolarHBondContact NZ-O 3.38Å; A116-T119 HydrophobicContact CB-CG2 3.67Å
117H96.5Very high97.7Very high52 Ų5279.1 Ų79.124%0.24141%0.409CS..SBendtrans-97.7149.3-178.6-60.775000111.6Y107 K110 K115 T119Y107-H117 AromaticContact CD2-CD2 3.27Å; Y107-H117 WeakPolarHBondContact CD2-CD2 3.39Å; Y107-H117 AromaticContact CD2-NE2 3.63Å; Y107-H117 AromaticContact CE2-CD2 3.54Å; Y107-H117 AromaticContact CE2-NE2 3.75Å; Y107-H117 AromaticContact CG-CD2 3.83Å; Y107-H117 AromaticContact CG-NE2 3.82Å; Y107-H117 PolarHBondContact O-NE2 2.81Å; K110-H117 WeakPolarHBondContact CB-NE2 3.18Å; K115-H117 PolarHBondContact O-ND1 2.94Å; H117-T119 PolarHBondContact O-N 3.23Å
118F95.7Very high97.7Very high71 Ų7176.9 Ų76.931%0.31140%0.404SS..SBendtrans55.526.2170-43.2-60.7000116L103 Y107 L127L103-F118 HydrophobicContact CD1-CE1 4.07Å; Y107-F118 HydrophobicContact CD2-CE2 4.33Å; Y107-F118 HydrophobicContact CD2-CZ 4.01Å; Y107-F118 HydrophobicContact CE2-CE2 4.37Å; Y107-F118 HydrophobicContact CE2-CZ 4.48Å; F118-L127 HydrophobicContact CD1-CB 4.02Å; F118-L127 HydrophobicContact CD1-CD2 4.05Å; F118-L127 HydrophobicContact CD2-CD2 4.16Å; F118-L127 HydrophobicContact CE1-CB 3.97Å; F118-L127 HydrophobicContact CE1-CD1 4.29Å; F118-L127 HydrophobicContact CE1-CD2 4.01Å; F118-L127 HydrophobicContact CE1-CG 4.32Å; F118-L127 HydrophobicContact CE2-CD2 4.11Å; F118-L127 HydrophobicContact CG-CD2 4.12Å; F118-L127 HydrophobicContact CZ-CD1 4.29Å; F118-L127 HydrophobicContact CZ-CD2 4.04Å
119T96.4Very high97.7Very high109 Ų10971.1 Ų71.167%0.66938%0.382SS*.  trans-82.9-12.3-177.955.40000114.5A116 H117A116-T119 HydrophobicContact CB-CG2 3.67Å; H117-T119 PolarHBondContact O-N 3.23Å
120S97.3Very high97.8Very high63 Ų6370.1 Ų70.144%0.44138%0.377SS..SBendtrans-107.3158.8178.369.40000111.7H122 G123 L124S120-H122 VanDerWaalsContact C-N 3.26Å; S120-H122 PolarHBondContact O-N 3.43Å; S120-G123 PolarHBondContact O-N 2.89Å; S120-G123 PolarHBondContact OG-N 3.34Å; S120-G123 VanDerWaalsContact OG-N 3.1Å; S120-L124 PolarHBondContact O-N 2.95Å
121W98.1Very high97.8Very high192 Ų19271 Ų7173%0.72739%0.389SS*.Hα-helixtrans-54.6-42.4172.2-73.1113.5000112.5L125 L178W121-L125 VanDerWaalsContact O-CB 3.31Å; W121-L125 WeakPolarHBondContact O-CB 3.49Å; W121-L125 PolarHBondContact O-N 3.4Å; W121-L178 HydrophobicContact CB-CD1 4.27Å
122H98.3Very high97.8Very high47 Ų4765.7 Ų65.722%0.21837%0.372CS..Hα-helixtrans-58.5-47.1173.6174.762.4000111.8H50 S120 G126 S175 L178 G179H50-H122 AromaticContact NE2-NE2 3.57Å; S120-H122 VanDerWaalsContact C-N 3.26Å; S120-H122 PolarHBondContact O-N 3.43Å; H122-G126 WeakPolarHBondContact O-CA 3.37Å; H122-G126 PolarHBondContact O-N 2.95Å; H122-S175 PolarHBondContact CE1-O 3.26Å; H122-S175 PolarHBondContact ND1-O 3.03Å; H122-L178 HydrophobicContact CB-CB 3.84Å; H122-G179 WeakPolarHBondContact ND1-CA 3.5Å; H122-G179 PolarHBondContact ND1-N 3.47Å
123G98Very high97.8Very high18 Ų1861.4 Ų61.419%0.18635%0.35CS..Hα-helixtrans-64.8-44.9-179.400000113S120 L127S120-G123 PolarHBondContact O-N 2.89Å; S120-G123 PolarHBondContact OG-N 3.34Å; S120-G123 VanDerWaalsContact OG-N 3.1Å; G123-L127 PolarHBondContact O-N 3.4Å
124L98.3Very high97.8Very high76 Ų7659.6 Ų59.640%0.39834%0.344SS..Hα-helixtrans-69.3-51.2-179.5-179.761.5000112S120 G126 L127 I128S120-L124 PolarHBondContact O-N 2.95Å; L124-G126 VanDerWaalsContact C-N 3.3Å; L124-G126 PolarHBondContact O-N 3.23Å; L124-L127 PolarHBondContact O-N 2.91Å; L124-I128 HydrophobicContact CD1-CD1 4.21Å; L124-I128 HydrophobicContact CG-CD1 4.08Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 3.39Å
125L98.1Very high97.9Very high43 Ų4360.4 Ų60.423%0.22533%0.334CS..Hα-helixtrans-66.6-34.2178-76.4173.3000111.8W121 I128 T129 T174 L178W121-L125 VanDerWaalsContact O-CB 3.31Å; W121-L125 WeakPolarHBondContact O-CB 3.49Å; W121-L125 PolarHBondContact O-N 3.4Å; L125-I128 HydrophobicContact CD2-CD1 4.43Å; L125-I128 PolarHBondContact O-N 2.95Å; L125-T129 VanDerWaalsContact O-CB 3.3Å; L125-T129 WeakPolarHBondContact O-CB 3.34Å; L125-T129 PolarHBondContact O-N 2.83Å; L125-T129 PolarHBondContact O-OG1 3.01Å; L125-T174 HydrophobicContact CD1-CG2 4.4Å; L125-L178 HydrophobicContact CB-CD1 4.41Å; L125-L178 HydrophobicContact CD1-CD1 3.55Å
126G98.4Very high97.9Very high16 Ų1655.5 Ų55.517%0.16531%0.313CS..Hα-helixtrans-59.7-48.4172.800000111.9H122 L124 T129 V130H122-G126 WeakPolarHBondContact O-CA 3.37Å; H122-G126 PolarHBondContact O-N 2.95Å; L124-G126 VanDerWaalsContact C-N 3.3Å; L124-G126 PolarHBondContact O-N 3.23Å; G126-T129 WeakPolarHBondContact O-CB 3.34Å; G126-T129 PolarHBondContact O-N 3.35Å; G126-V130 WeakPolarHBondContact O-CG2 3.41Å; G126-V130 PolarHBondContact O-N 2.88Å
127L98.7Very high97.9Very high49 Ų4954.8 Ų54.826%0.25730%0.304SS..Hα-helixtrans-59.2-49.3175.6175.162.6000111.7L103 F118 G123 L124 T129 V130 C131L103-L127 HydrophobicContact CD2-CD1 3.84Å; F118-L127 HydrophobicContact CD1-CB 4.02Å; F118-L127 HydrophobicContact CD1-CD2 4.05Å; F118-L127 HydrophobicContact CD2-CD2 4.16Å; F118-L127 HydrophobicContact CE1-CB 3.97Å; F118-L127 HydrophobicContact CE1-CD1 4.29Å; F118-L127 HydrophobicContact CE1-CD2 4.01Å; F118-L127 HydrophobicContact CE1-CG 4.32Å; F118-L127 HydrophobicContact CE2-CD2 4.11Å; F118-L127 HydrophobicContact CG-CD2 4.12Å; F118-L127 HydrophobicContact CZ-CD1 4.29Å; F118-L127 HydrophobicContact CZ-CD2 4.04Å; G123-L127 PolarHBondContact O-N 3.4Å; L124-L127 PolarHBondContact O-N 2.91Å; L127-T129 VanDerWaalsContact C-N 3.27Å; L127-T129 PolarHBondContact O-N 2.91Å; L127-V130 PolarHBondContact O-N 3.44Å; L127-C131 PolarHBondContact O-N 2.87Å; L127-C131 PolarHBondContact O-SG 3.39Å; L127-C131 VanDerWaalsContact O-SG 3.42Å
128I98.7Very high97.8Very high72 Ų7258.3 Ų58.337%0.36932%0.324SS..Hα-helixtrans-56.6-45.3177.5-69.7164.8000110.3L124 L125 V130 C131 V132L124-I128 HydrophobicContact CD1-CD1 4.21Å; L124-I128 HydrophobicContact CG-CD1 4.08Å; L124-I128 WeakPolarHBondContact O-CG1 3.37Å; L124-I128 PolarHBondContact O-N 3.39Å; L125-I128 HydrophobicContact CD2-CD1 4.43Å; L125-I128 PolarHBondContact O-N 2.95Å; I128-V130 PolarHBondContact O-N 3.48Å; I128-C131 PolarHBondContact O-N 2.96Å; I128-V132 HydrophobicContact CG2-CG2 4.1Å; I128-V132 WeakPolarHBondContact O-CB 3.2Å; I128-V132 WeakPolarHBondContact O-CG2 3.12Å; I128-V132 PolarHBondContact O-N 2.88Å
129T98.7Very high97.7Very high1 Ų157.8 Ų57.81%0.00633%0.333CS..Hα-helixtrans-60.6-46.9-180-58.30000111.3F58 L125 G126 L127 C131 V132 V133 L171 S175F58-T129 HydrophobicContact CE1-CG2 3.62Å; F58-T129 HydrophobicContact CZ-CG2 3.64Å; L125-T129 VanDerWaalsContact O-CB 3.3Å; L125-T129 WeakPolarHBondContact O-CB 3.34Å; L125-T129 PolarHBondContact O-N 2.83Å; L125-T129 PolarHBondContact O-OG1 3.01Å; G126-T129 WeakPolarHBondContact O-CB 3.34Å; G126-T129 PolarHBondContact O-N 3.35Å; L127-T129 VanDerWaalsContact C-N 3.27Å; L127-T129 PolarHBondContact O-N 2.91Å; T129-C131 VanDerWaalsContact C-N 3.35Å; T129-C131 PolarHBondContact O-N 3.31Å; T129-V132 PolarHBondContact O-N 3.32Å; T129-V133 WeakPolarHBondContact O-CG2 3.37Å; T129-V133 PolarHBondContact O-N 2.81Å; T129-L171 HydrophobicContact CG2-CB 4.12Å; T129-S175 PolarHBondContact OG1-OG 3.42Å; T129-S175 VanDerWaalsContact OG1-OG 3.05Å
130V98.8Very high97.6Very high7 Ų753.6 Ų53.64%0.04231%0.309CS..Hα-helixtrans-60.8-44.6177.5177.60000110.9M54 A99 V100 L103 G126 L127 I128 V132 V133 C134M54-V130 HydrophobicContact CE-CG2 4.2Å; A99-V130 HydrophobicContact CB-CG1 4.48Å; A99-V130 HydrophobicContact CB-CG2 4.21Å; V100-V130 HydrophobicContact CG2-CG1 4.17Å; L103-V130 HydrophobicContact CB-CG2 4.42Å; L103-V130 HydrophobicContact CD2-CB 4.11Å; L103-V130 HydrophobicContact CD2-CG1 3.99Å; L103-V130 HydrophobicContact CD2-CG2 4.23Å; G126-V130 WeakPolarHBondContact O-CG2 3.41Å; G126-V130 PolarHBondContact O-N 2.88Å; L127-V130 PolarHBondContact O-N 3.44Å; I128-V130 PolarHBondContact O-N 3.48Å; V130-V132 PolarHBondContact O-N 2.76Å; V130-V133 PolarHBondContact O-N 3.16Å; V130-C134 PolarHBondContact O-N 2.79Å; V130-C134 VanDerWaalsContact O-N 3.11Å; V130-C134 PolarHBondContact O-SG 2.72Å; V130-C134 VanDerWaalsContact O-SG 3.42Å
131C98.7Very high97.4Very high69 Ų6953 Ų5347%0.46630%0.303SS..Hα-helixtrans-59.9-44.7175.2-68.80000112L127 I128 T129 V133 C134 V135L127-C131 PolarHBondContact O-N 2.87Å; L127-C131 PolarHBondContact O-SG 3.39Å; L127-C131 VanDerWaalsContact O-SG 3.42Å; I128-C131 PolarHBondContact O-N 2.96Å; T129-C131 VanDerWaalsContact C-N 3.35Å; T129-C131 PolarHBondContact O-N 3.31Å; C131-V133 VanDerWaalsContact C-N 3.33Å; C131-V133 PolarHBondContact O-N 3.09Å; C131-C134 PolarHBondContact O-N 3.39Å; C131-V135 WeakPolarHBondContact O-CG2 3.33Å; C131-V135 PolarHBondContact O-N 3Å
132V98.6Very high97.2Very high45 Ų4545.1 Ų45.127%0.27328%0.276SS..Hα-helixtrans-62.2-39.4177.6173.20000111I128 T129 V130 C134 V135 Q136 T168 L171I128-V132 HydrophobicContact CG2-CG2 4.1Å; I128-V132 WeakPolarHBondContact O-CB 3.2Å; I128-V132 WeakPolarHBondContact O-CG2 3.12Å; I128-V132 PolarHBondContact O-N 2.88Å; T129-V132 PolarHBondContact O-N 3.32Å; V130-V132 PolarHBondContact O-N 2.76Å; V132-C134 PolarHBondContact O-N 3.29Å; V132-V135 PolarHBondContact O-N 2.69Å; V132-Q136 WeakPolarHBondContact O-CB 3.29Å; V132-Q136 PolarHBondContact O-N 3Å; V132-T168 HydrophobicContact CG1-CG2 3.99Å; V132-T168 WeakPolarHBondContact CG1-OG1 3.44Å; V132-L171 HydrophobicContact CG1-CD1 4.41Å; V132-L171 HydrophobicContact CG2-CD1 4.29Å
133V98.4Very high96.9Very high3 Ų345.1 Ų45.12%0.01828%0.278CS..Hα-helixtrans-60.2-45.7174.4171.10000111.4F58 M62 T129 V130 C131 Q136 S137 T168F58-V133 HydrophobicContact CE1-CG2 3.64Å; F58-V133 HydrophobicContact CZ-CG2 4.03Å; M62-V133 HydrophobicContact CE-CG2 3.71Å; T129-V133 WeakPolarHBondContact O-CG2 3.37Å; T129-V133 PolarHBondContact O-N 2.81Å; V130-V133 PolarHBondContact O-N 3.16Å; C131-V133 VanDerWaalsContact C-N 3.33Å; C131-V133 PolarHBondContact O-N 3.09Å; V133-Q136 PolarHBondContact O-N 3.49Å; V133-S137 WeakPolarHBondContact O-CB 3.27Å; V133-S137 PolarHBondContact O-N 3.07Å; V133-S137 PolarHBondContact O-OG 3.4Å; V133-T168 HydrophobicContact CG2-CG2 3.68Å
134C97.8Very high96.4Very high54 Ų5449.5 Ų49.537%0.36530%0.296SS..Hα-helixtrans-60.7-48.1177.3-65.30000111.3V130 C131 V132 Q136 S137 L138V130-C134 PolarHBondContact O-N 2.79Å; V130-C134 VanDerWaalsContact O-N 3.11Å; V130-C134 PolarHBondContact O-SG 2.72Å; V130-C134 VanDerWaalsContact O-SG 3.42Å; C131-C134 PolarHBondContact O-N 3.39Å; V132-C134 PolarHBondContact O-N 3.29Å; C134-Q136 PolarHBondContact O-N 2.97Å; C134-S137 PolarHBondContact O-N 3.42Å; C134-L138 WeakPolarHBondContact O-CG 3.45Å; C134-L138 PolarHBondContact O-N 3.08Å; C134-L138 VanDerWaalsContact O-N 3.07Å
135V98.2Very high96Very high94 Ų9452.8 Ų52.857%0.5730%0.304SS*.Hα-helixtrans-62.1-42.8177.3173.10000111.2C131 V132 S137 L138 A139C131-V135 WeakPolarHBondContact O-CG2 3.33Å; C131-V135 PolarHBondContact O-N 3Å; V132-V135 PolarHBondContact O-N 2.69Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.29Å; V135-L138 PolarHBondContact O-N 3.48Å; V135-A139 WeakPolarHBondContact O-CB 3.17Å; V135-A139 PolarHBondContact O-N 3.23Å
136Q97.8Very high95.6Very high21 Ų2154.8 Ų54.810%0.09831%0.312CS..Hα-helixtrans-61.7-41.6179.4-179.964.37.500111.9V132 V133 C134 A140 H161 S164V132-Q136 WeakPolarHBondContact O-CB 3.29Å; V132-Q136 PolarHBondContact O-N 3Å; V133-Q136 PolarHBondContact O-N 3.49Å; C134-Q136 PolarHBondContact O-N 2.97Å; Q136-A140 PolarHBondContact O-N 3.04Å; Q136-A140 VanDerWaalsContact O-N 3.15Å; Q136-H161 PolarHBondContact NE2-CE1 2.99Å; Q136-H161 PolarHBondContact NE2-ND1 3.45Å; Q136-H161 VanDerWaalsContact NE2-ND1 3.19Å; Q136-H161 PolarHBondContact NE2-O 3.29Å; Q136-S164 PolarHBondContact NE2-OG 3.05Å; Q136-S164 PolarHBondContact OE1-OG 2.92Å
137S95.8Very high95.2Very high49 Ų4958 Ų5834%0.34333%0.332SS..Hα-helixtrans-65.2-43.3175.6-70.40000111.9V133 C134 V135 A140V133-S137 WeakPolarHBondContact O-CB 3.27Å; V133-S137 PolarHBondContact O-N 3.07Å; V133-S137 PolarHBondContact O-OG 3.4Å; C134-S137 PolarHBondContact O-N 3.42Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.29Å; S137-A140 WeakPolarHBondContact O-CB 3.41Å; S137-A140 PolarHBondContact O-N 3.05Å
138L94.6Very high94.8Very high125 Ų12561 Ų6165%0.65435%0.348SS*.Hα-helixtrans-66.8-41.9176.2-66.6173.8000111.8C134 V135 A140 V141C134-L138 WeakPolarHBondContact O-CG 3.45Å; C134-L138 PolarHBondContact O-N 3.08Å; C134-L138 VanDerWaalsContact O-N 3.07Å; V135-L138 PolarHBondContact O-N 3.48Å; L138-A140 PolarHBondContact O-N 3.47Å; L138-A140 VanDerWaalsContact O-N 3.16Å; L138-V141 WeakPolarHBondContact O-CB 3.4Å; L138-V141 VanDerWaalsContact O-CG2 3.28Å; L138-V141 WeakPolarHBondContact O-CG2 3.47Å; L138-V141 PolarHBondContact O-N 2.68Å; L138-V141 VanDerWaalsContact O-N 3.08Å
139A94.6Very high94.4Very high61 Ų6158.4 Ų58.450%0.50434%0.336SS..Hα-helixtrans-65.8-15176.900000113.1V135 P142V135-A139 WeakPolarHBondContact O-CB 3.17Å; V135-A139 PolarHBondContact O-N 3.23Å; A139-P142 WeakPolarHBondContact O-CD 3.38Å
140A94.6Very high93.9Very high20 Ų2067 Ų6717%0.16537%0.374CS..THydrogen-bonded Turntrans-82.4-16.9174.300000113.4Q136 S137 L138 P142 L143Q136-A140 PolarHBondContact O-N 3.04Å; Q136-A140 VanDerWaalsContact O-N 3.15Å; S137-A140 WeakPolarHBondContact O-CB 3.41Å; S137-A140 PolarHBondContact O-N 3.05Å; L138-A140 PolarHBondContact O-N 3.47Å; L138-A140 VanDerWaalsContact O-N 3.16Å; A140-P142 VanDerWaalsContact C-CD 3.5Å; A140-P142 VanDerWaalsContact C-N 3.35Å; A140-L143 HydrophobicContact CB-CD1 4.34Å; A140-L143 WeakPolarHBondContact O-CB 3.3Å; A140-L143 WeakPolarHBondContact O-CG 3.31Å; A140-L143 PolarHBondContact O-N 3.08Å
141V93.2Very high93.4Very high52 Ų5270.7 Ų70.732%0.31541%0.414SS..G310 helixtrans-56.1-40.1-177.3178.80000112.9L138 L143 I144 Y145 L148L138-V141 WeakPolarHBondContact O-CB 3.4Å; L138-V141 VanDerWaalsContact O-CG2 3.28Å; L138-V141 WeakPolarHBondContact O-CG2 3.47Å; L138-V141 PolarHBondContact O-N 2.68Å; L138-V141 VanDerWaalsContact O-N 3.08Å; V141-L143 PolarHBondContact O-N 3.08Å; V141-L143 VanDerWaalsContact O-N 3.11Å; V141-I144 WeakPolarHBondContact O-CB 3.44Å; V141-I144 PolarHBondContact O-N 3.16Å; V141-Y145 HydrophobicContact CG1-CD2 3.89Å; V141-Y145 PolarHBondContact O-N 2.91Å; V141-L148 HydrophobicContact CG1-CD1 3.76Å
142P93.6Very high93.1Very high25 Ų2572.2 Ų72.216%0.16241%0.41CS..G310 helixtrans-63.6-13.7174.6-23.635.3000115.3A139 A140 I144 Y145 H146 L148 A149 L157A139-P142 WeakPolarHBondContact O-CD 3.38Å; A140-P142 VanDerWaalsContact C-CD 3.5Å; A140-P142 VanDerWaalsContact C-N 3.35Å; P142-I144 VanDerWaalsContact C-N 3.25Å; P142-Y145 WeakPolarHBondContact CA-O 3.36Å; P142-Y145 CarbonylContact O-C 3.49Å; P142-H146 VanDerWaalsContact O-CA 3.32Å; P142-H146 WeakPolarHBondContact O-CA 3.06Å; P142-H146 PolarHBondContact O-N 2.85Å; P142-L148 HydrophobicContact CB-CB 4.35Å; P142-L148 HydrophobicContact CG-CB 4.22Å; P142-A149 HydrophobicContact CB-CB 3.72Å; P142-A149 HydrophobicContact CG-CB 4.42Å; P142-L157 HydrophobicContact CB-CD1 4.42Å
143L91.2Very high92.9Very high48 Ų4873.4 Ų73.425%0.25142%0.42SS..G310 helixtrans-72.7-21.9170.7-61.4174.5000112.5A140 V141 L154 L157 K158 H161A140-L143 HydrophobicContact CB-CD1 4.34Å; A140-L143 WeakPolarHBondContact O-CB 3.3Å; A140-L143 WeakPolarHBondContact O-CG 3.31Å; A140-L143 PolarHBondContact O-N 3.08Å; V141-L143 PolarHBondContact O-N 3.08Å; V141-L143 VanDerWaalsContact O-N 3.11Å; L143-L154 HydrophobicContact CD2-CD1 4.11Å; L143-L157 HydrophobicContact CD2-CB 3.5Å; L143-K158 HydrophobicContact CD2-CG 3.83Å; L143-H161 HydrophobicContact CD1-CB 3.8Å
144I88Confident92.5Very high109 Ų10976.7 Ų76.756%0.55944%0.437SS*.THydrogen-bonded Turntrans-94.6-49.3175.1-57.1171.1000109V141 P142V141-I144 WeakPolarHBondContact O-CB 3.44Å; V141-I144 PolarHBondContact O-N 3.16Å; P142-I144 VanDerWaalsContact C-N 3.25Å
145Y89.9Confident92.1Very high146 Ų14676.8 Ų76.857%0.57344%0.441SS*.  trans-11181-178.4-57.5-73.9000110.5V141 P142 S147 L148V141-Y145 HydrophobicContact CG1-CD2 3.89Å; V141-Y145 PolarHBondContact O-N 2.91Å; P142-Y145 WeakPolarHBondContact CA-O 3.36Å; P142-Y145 CarbonylContact O-C 3.49Å; Y145-S147 PolarHBondContact O-N 3.23Å; Y145-S147 VanDerWaalsContact O-N 3.08Å; Y145-L148 WeakPolarHBondContact O-CB 3.31Å; Y145-L148 WeakPolarHBondContact O-CG 3.44Å; Y145-L148 PolarHBondContact O-N 2.91Å
146H88.6Confident91.8Very high84 Ų8476 Ų7639%0.38943%0.43SS..G310 helixtrans-59.3-24.5-175-174.6-108.3000113.9P142 L148 A149 W152P142-H146 VanDerWaalsContact O-CA 3.32Å; P142-H146 WeakPolarHBondContact O-CA 3.06Å; P142-H146 PolarHBondContact O-N 2.85Å; H146-L148 PolarHBondContact O-N 3.04Å; H146-A149 PolarHBondContact O-N 3.1Å; H146-W152 PolarHBondContact CE1-O 3.25Å; H146-W152 PolarHBondContact NE2-O 3.43Å
147S90.5Very high91.6Very high84 Ų8476.2 Ų76.259%0.58743%0.432SS*.G310 helixtrans-56.4-21.5173.654.50000114.2Y145 A149 K150Y145-S147 PolarHBondContact O-N 3.23Å; Y145-S147 VanDerWaalsContact O-N 3.08Å; S147-A149 VanDerWaalsContact C-N 3.33Å; S147-K150 WeakPolarHBondContact O-CG 3.45Å
148L90.6Very high91.5Very high113 Ų11378.2 Ų78.259%0.59244%0.435SS*.G310 helixtrans-79.2-12.5177.6-59.3177.9000113.7V141 P142 Y145 H146V141-L148 HydrophobicContact CG1-CD1 3.76Å; P142-L148 HydrophobicContact CB-CB 4.35Å; P142-L148 HydrophobicContact CG-CB 4.22Å; Y145-L148 WeakPolarHBondContact O-CB 3.31Å; Y145-L148 WeakPolarHBondContact O-CG 3.44Å; Y145-L148 PolarHBondContact O-N 2.91Å; H146-L148 PolarHBondContact O-N 3.04Å
149A90.4Very high91.3Very high16 Ų1678.8 Ų78.813%0.13243%0.428CS..G310 helixtrans-128.155.4-179.600000111.3P142 H146 S147 G151 W152 L157P142-A149 HydrophobicContact CB-CB 3.72Å; P142-A149 HydrophobicContact CG-CB 4.42Å; H146-A149 PolarHBondContact O-N 3.1Å; S147-A149 VanDerWaalsContact C-N 3.33Å; A149-G151 PolarHBondContact O-N 2.77Å; A149-W152 HydrophobicContact CB-CB 4.45Å; A149-W152 PolarHBondContact O-N 3.32Å; A149-W152 VanDerWaalsContact O-N 3.15Å; A149-L157 HydrophobicContact CB-CD1 3.9Å; A149-L157 HydrophobicContact CB-CD2 4.1Å
150K87.4Confident91.3Very high182 Ų18282.1 Ų82.179%0.79143%0.428SS*.THydrogen-bonded Turntrans-54.1135.3175.5-63.9-175-178.4178.20110.2S147S147-K150 WeakPolarHBondContact O-CG 3.45Å
151G89.6Confident91.4Very high85 Ų8583 Ų8388%0.87643%0.429SS*.THydrogen-bonded Turntrans87.7-5.6-178.100000115.4A149A149-G151 PolarHBondContact O-N 2.77Å
152W92.8Very high91.5Very high101 Ų10181.7 Ų81.738%0.38342%0.424SS..  trans-108.1133.7174.3-74.160.9000110.9H146 A149 K156 L157 Y160H146-W152 PolarHBondContact CE1-O 3.25Å; H146-W152 PolarHBondContact NE2-O 3.43Å; A149-W152 HydrophobicContact CB-CB 4.45Å; A149-W152 PolarHBondContact O-N 3.32Å; A149-W152 VanDerWaalsContact O-N 3.15Å; W152-K156 HydrophobicContact CD2-CD 4Å; W152-K156 HydrophobicContact CE3-CB 4.31Å; W152-K156 HydrophobicContact CE3-CD 3.47Å; W152-K156 VanDerWaalsContact CE3-CD 3.47Å; W152-K156 HydrophobicContact CE3-CG 3.65Å; W152-K156 HydrophobicContact CH2-CD 4.48Å; W152-K156 HydrophobicContact CZ3-CD 3.78Å; W152-K156 VanDerWaalsContact CZ3-CE 3.4Å; W152-K156 HydrophobicContact CZ3-CG 3.85Å; W152-L157 HydrophobicContact CB-CD1 4.38Å; W152-L157 HydrophobicContact CB-CD2 4.03Å; W152-L157 HydrophobicContact CB-CG 4.03Å; W152-L157 HydrophobicContact CD2-CD2 4.27Å; W152-L157 HydrophobicContact CE3-CD2 3.83Å; W152-L157 HydrophobicContact CE3-CG 4.45Å; W152-L157 HydrophobicContact CG-CD2 4.37Å; W152-Y160 HydrophobicContact CE3-CD2 4.44Å; W152-Y160 HydrophobicContact CH2-CD2 4.34Å; W152-Y160 HydrophobicContact CH2-CE2 4.17Å; W152-Y160 AromaticContact CZ3-CD2 3.54Å; W152-Y160 HydrophobicContact CZ3-CD2 3.54Å; W152-Y160 AromaticContact CZ3-CE2 3.66Å; W152-Y160 HydrophobicContact CZ3-CE2 3.66Å; W152-Y160 HydrophobicContact CZ3-CG 4.28Å
153S93.1Very high91.5Very high70 Ų7082.9 Ų82.949%0.4944%0.435SS..  trans-73147.4171.572.30000110.9A155 K156 L157S153-A155 PolarHBondContact O-N 3.01Å; S153-K156 WeakPolarHBondContact O-CB 2.92Å; S153-K156 PolarHBondContact O-N 2.96Å; S153-K156 WeakPolarHBondContact OG-CB 3.21Å; S153-K156 PolarHBondContact OG-N 3.25Å; S153-L157 PolarHBondContact O-N 3.48Å
154L90.1Very high91.8Very high72 Ų7282.7 Ų82.738%0.37744%0.438SS..Hα-helixtrans-57.1-34176-178.461.5000112.1L143 L157 K158L143-L154 HydrophobicContact CD2-CD1 4.11Å; L154-L157 PolarHBondContact O-N 3.21Å; L154-K158 HydrophobicContact CD1-CG 4.48Å; L154-K158 HydrophobicContact CG-CD 4.36Å; L154-K158 WeakPolarHBondContact O-CB 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.35Å; L154-K158 PolarHBondContact O-N 3.49Å
155A90.2Very high92.3Very high55 Ų5578.3 Ų78.346%0.45542%0.42SS..Hα-helixtrans-63.8-40.5175.100000112.3S153 R159S153-A155 PolarHBondContact O-N 3.01Å; A155-R159 PolarHBondContact O-N 2.95Å; A155-R159 VanDerWaalsContact O-N 3.14Å
156K91.5Very high92.7Very high77 Ų7772.5 Ų72.534%0.33540%0.399SS..Hα-helixtrans-64.3-49.3175.7-170.2178.6179-1720110.2W152 S153 K158 R159 Y160W152-K156 HydrophobicContact CD2-CD 4Å; W152-K156 HydrophobicContact CE3-CB 4.31Å; W152-K156 HydrophobicContact CE3-CD 3.47Å; W152-K156 VanDerWaalsContact CE3-CD 3.47Å; W152-K156 HydrophobicContact CE3-CG 3.65Å; W152-K156 HydrophobicContact CH2-CD 4.48Å; W152-K156 HydrophobicContact CZ3-CD 3.78Å; W152-K156 VanDerWaalsContact CZ3-CE 3.4Å; W152-K156 HydrophobicContact CZ3-CG 3.85Å; S153-K156 WeakPolarHBondContact O-CB 2.92Å; S153-K156 PolarHBondContact O-N 2.96Å; S153-K156 WeakPolarHBondContact OG-CB 3.21Å; S153-K156 PolarHBondContact OG-N 3.25Å; K156-K158 PolarHBondContact O-N 3.37Å; K156-R159 WeakPolarHBondContact O-CB 3.38Å; K156-R159 PolarHBondContact O-N 2.91Å; K156-R159 VanDerWaalsContact O-N 3.12Å; K156-Y160 HydrophobicContact CD-CE2 4.2Å; K156-Y160 HydrophobicContact CG-CD2 3.79Å; K156-Y160 HydrophobicContact CG-CE2 3.57Å; K156-Y160 VanDerWaalsContact O-CD2 3.29Å; K156-Y160 WeakPolarHBondContact O-CD2 3.31Å; K156-Y160 PolarHBondContact O-N 3.05Å
157L93.8Very high93.1Very high26 Ų2672.5 Ų72.514%0.13641%0.405CS..Hα-helixtrans-57.2-47178.3-66.5169.7000112.1P142 L143 A149 W152 S153 L154 R159 Y160 H161P142-L157 HydrophobicContact CB-CD1 4.42Å; L143-L157 HydrophobicContact CD2-CB 3.5Å; A149-L157 HydrophobicContact CB-CD1 3.9Å; A149-L157 HydrophobicContact CB-CD2 4.1Å; W152-L157 HydrophobicContact CB-CD1 4.38Å; W152-L157 HydrophobicContact CB-CD2 4.03Å; W152-L157 HydrophobicContact CB-CG 4.03Å; W152-L157 HydrophobicContact CD2-CD2 4.27Å; W152-L157 HydrophobicContact CE3-CD2 3.83Å; W152-L157 HydrophobicContact CE3-CG 4.45Å; W152-L157 HydrophobicContact CG-CD2 4.37Å; S153-L157 PolarHBondContact O-N 3.48Å; L154-L157 PolarHBondContact O-N 3.21Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 2.93Å; L157-Y160 PolarHBondContact O-N 3.4Å; L157-H161 VanDerWaalsContact O-CB 3.31Å; L157-H161 WeakPolarHBondContact O-CB 3.47Å; L157-H161 PolarHBondContact O-N 3.31Å
158K92.6Very high93.5Very high92 Ų9268.7 Ų68.740%0.438%0.378SS..Hα-helixtrans-59.2-39.8177-74.7178.7176.8-177.20112.6L143 L154 K156 A162 Y216L143-K158 HydrophobicContact CD2-CG 3.83Å; L154-K158 HydrophobicContact CD1-CG 4.48Å; L154-K158 HydrophobicContact CG-CD 4.36Å; L154-K158 WeakPolarHBondContact O-CB 3.3Å; L154-K158 WeakPolarHBondContact O-CG 3.35Å; L154-K158 PolarHBondContact O-N 3.49Å; K156-K158 PolarHBondContact O-N 3.37Å; K158-A162 WeakPolarHBondContact O-CB 3.28Å; K158-A162 PolarHBondContact O-N 3.44Å; K158-Y216 PolarHBondContact O-OH 2.86Å
159R92.1Very high93.9Very high136 Ų13663.5 Ų63.551%0.51335%0.35SS..Hα-helixtrans-63.5-50.3177.8-174.7-173.2-64.5162.9-2111.4A155 K156 L157 A162 A163 Y216A155-R159 PolarHBondContact O-N 2.95Å; A155-R159 VanDerWaalsContact O-N 3.14Å; K156-R159 WeakPolarHBondContact O-CB 3.38Å; K156-R159 PolarHBondContact O-N 2.91Å; K156-R159 VanDerWaalsContact O-N 3.12Å; L157-R159 VanDerWaalsContact C-N 3.3Å; L157-R159 PolarHBondContact O-N 2.93Å; R159-A162 PolarHBondContact O-N 3.27Å; R159-A163 WeakPolarHBondContact O-CB 3.36Å; R159-A163 PolarHBondContact O-N 3.11Å; R159-Y216 HydrophobicContact CB-CE1 3.97Å; R159-Y216 HydrophobicContact CG-CD1 4.09Å; R159-Y216 HydrophobicContact CG-CE1 3.77Å
160Y93.9Very high94.3Very high131 Ų13165.3 Ų65.351%0.51436%0.357SS..Hα-helixtrans-66.2-40.1178.8-78.5-79.5000112W152 K156 L157 A162 A163 S164W152-Y160 HydrophobicContact CE3-CD2 4.44Å; W152-Y160 HydrophobicContact CH2-CD2 4.34Å; W152-Y160 HydrophobicContact CH2-CE2 4.17Å; W152-Y160 AromaticContact CZ3-CD2 3.54Å; W152-Y160 HydrophobicContact CZ3-CD2 3.54Å; W152-Y160 AromaticContact CZ3-CE2 3.66Å; W152-Y160 HydrophobicContact CZ3-CE2 3.66Å; W152-Y160 HydrophobicContact CZ3-CG 4.28Å; K156-Y160 HydrophobicContact CD-CE2 4.2Å; K156-Y160 HydrophobicContact CG-CD2 3.79Å; K156-Y160 HydrophobicContact CG-CE2 3.57Å; K156-Y160 VanDerWaalsContact O-CD2 3.29Å; K156-Y160 WeakPolarHBondContact O-CD2 3.31Å; K156-Y160 PolarHBondContact O-N 3.05Å; L157-Y160 PolarHBondContact O-N 3.4Å; Y160-A162 PolarHBondContact O-N 2.9Å; Y160-A163 PolarHBondContact O-N 3.13Å; Y160-S164 WeakPolarHBondContact O-CB 3.42Å; Y160-S164 PolarHBondContact O-N 3.02Å; Y160-S164 PolarHBondContact O-OG 3.3Å
161H95.9Very high94.8Very high39 Ų3958.8 Ų58.818%0.18133%0.331CS..Hα-helixtrans-60.2-43.4175.7176.876000112H88 Q136 L143 L157 S164 G165H88-H161 AromaticContact NE2-NE2 3.9Å; Q136-H161 PolarHBondContact NE2-CE1 2.99Å; Q136-H161 PolarHBondContact NE2-ND1 3.45Å; Q136-H161 VanDerWaalsContact NE2-ND1 3.19Å; Q136-H161 PolarHBondContact NE2-O 3.29Å; L143-H161 HydrophobicContact CD1-CB 3.8Å; L157-H161 VanDerWaalsContact O-CB 3.31Å; L157-H161 WeakPolarHBondContact O-CB 3.47Å; L157-H161 PolarHBondContact O-N 3.31Å; H161-S164 WeakPolarHBondContact CA-OG 3.48Å; H161-S164 PolarHBondContact O-OG 3.23Å; H161-S164 VanDerWaalsContact O-OG 3.06Å; H161-G165 WeakPolarHBondContact O-CA 3.31Å; H161-G165 PolarHBondContact O-N 3.15Å
162A95.3Very high95.2Very high25 Ų2554.7 Ų54.721%0.20729%0.289CS..Hα-helixtrans-70.8-36.3177.500000113K158 R159 Y160 G165 L166 Y216K158-A162 WeakPolarHBondContact O-CB 3.28Å; K158-A162 PolarHBondContact O-N 3.44Å; R159-A162 PolarHBondContact O-N 3.27Å; Y160-A162 PolarHBondContact O-N 2.9Å; A162-G165 PolarHBondContact O-N 3.22Å; A162-L166 WeakPolarHBondContact O-CB 3.5Å; A162-L166 PolarHBondContact O-N 3.35Å; A162-Y216 HydrophobicContact CB-CE2 3.47Å; A162-Y216 VanDerWaalsContact CB-CE2 3.47Å; A162-Y216 WeakPolarHBondContact CB-OH 3.39Å
163A95.1Very high95.5Very high49 Ų4950.2 Ų50.241%0.40527%0.273SS..Hα-helixtrans-66-50.4176.800000111.6R159 Y160 G165 L166 V167R159-A163 WeakPolarHBondContact O-CB 3.36Å; R159-A163 PolarHBondContact O-N 3.11Å; Y160-A163 PolarHBondContact O-N 3.13Å; A163-G165 VanDerWaalsContact C-N 3.31Å; A163-G165 PolarHBondContact O-N 3.42Å; A163-L166 PolarHBondContact O-N 3.38Å; A163-V167 PolarHBondContact O-N 3.44Å; A163-V167 VanDerWaalsContact O-N 3.11Å
164S97Very high95.8Very high44 Ų4449.9 Ų49.931%0.30827%0.268SS..Hα-helixtrans-62.8-36.3173.651.10000112.4Q136 Y160 H161 V167 T168Q136-S164 PolarHBondContact NE2-OG 3.05Å; Q136-S164 PolarHBondContact OE1-OG 2.92Å; Y160-S164 WeakPolarHBondContact O-CB 3.42Å; Y160-S164 PolarHBondContact O-N 3.02Å; Y160-S164 PolarHBondContact O-OG 3.3Å; H161-S164 WeakPolarHBondContact CA-OG 3.48Å; H161-S164 PolarHBondContact O-OG 3.23Å; H161-S164 VanDerWaalsContact O-OG 3.06Å; S164-V167 PolarHBondContact O-N 2.97Å; S164-T168 WeakPolarHBondContact O-CB 3.45Å; S164-T168 PolarHBondContact O-N 3.47Å; S164-T168 PolarHBondContact O-OG1 3Å
165G97.8Very high96.2Very high17 Ų1746.9 Ų46.918%0.17525%0.253CS..Hα-helixtrans-64.9-3817500000112.6H161 A162 A163 T168 F169H161-G165 WeakPolarHBondContact O-CA 3.31Å; H161-G165 PolarHBondContact O-N 3.15Å; A162-G165 PolarHBondContact O-N 3.22Å; A163-G165 VanDerWaalsContact C-N 3.31Å; A163-G165 PolarHBondContact O-N 3.42Å; G165-T168 WeakPolarHBondContact O-CB 3.43Å; G165-T168 PolarHBondContact O-N 3.1Å; G165-F169 WeakPolarHBondContact O-CB 3.07Å; G165-F169 PolarHBondContact O-N 3.05Å
166L97.8Very high96.6Very high24 Ų2445 Ų4513%0.12624%0.235CC..Hα-helixtrans-64-45.6172.3176.461.1000111.2A162 A163 T168 F169 L170 I208 M209 V212A162-L166 WeakPolarHBondContact O-CB 3.5Å; A162-L166 PolarHBondContact O-N 3.35Å; A163-L166 PolarHBondContact O-N 3.38Å; L166-T168 VanDerWaalsContact C-N 3.29Å; L166-T168 PolarHBondContact O-N 2.81Å; L166-F169 PolarHBondContact O-N 3.19Å; L166-L170 HydrophobicContact CD1-CD1 4.5Å; L166-L170 HydrophobicContact CD1-CG 4.3Å; L166-L170 HydrophobicContact CG-CD1 4.36Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.38Å; L166-I208 HydrophobicContact CD1-CG2 4.03Å; L166-M209 HydrophobicContact CD1-CB 4.1Å; L166-M209 HydrophobicContact CD2-CG 4.29Å; L166-V212 HydrophobicContact CB-CG1 4.31Å; L166-V212 HydrophobicContact CD2-CB 4.27Å; L166-V212 HydrophobicContact CD2-CG1 4.16Å
167V98.1Very high97Very high85 Ų8543.8 Ų43.852%0.51523%0.232SC..Hα-helixtrans-59.2-43175.2175.20000110.9A163 S164 F169 L170 L171A163-V167 PolarHBondContact O-N 3.44Å; A163-V167 VanDerWaalsContact O-N 3.11Å; S164-V167 PolarHBondContact O-N 2.97Å; V167-F169 VanDerWaalsContact C-N 3.34Å; V167-F169 PolarHBondContact O-N 3.49Å; V167-L170 PolarHBondContact O-N 2.75Å; V167-L171 HydrophobicContact CG1-CD1 4.33Å; V167-L171 WeakPolarHBondContact O-CG 3.41Å; V167-L171 PolarHBondContact O-N 2.69Å
168T98.6Very high97.2Very high4 Ų444.9 Ų44.93%0.02524%0.238CC..Hα-helixtrans-59.7-44.2176.3-54.50000111.5M62 V132 V133 S164 G165 L166 L171 G172M62-T168 HydrophobicContact CE-CG2 4.19Å; V132-T168 HydrophobicContact CG1-CG2 3.99Å; V132-T168 WeakPolarHBondContact CG1-OG1 3.44Å; V133-T168 HydrophobicContact CG2-CG2 3.68Å; S164-T168 WeakPolarHBondContact O-CB 3.45Å; S164-T168 PolarHBondContact O-N 3.47Å; S164-T168 PolarHBondContact O-OG1 3Å; G165-T168 WeakPolarHBondContact O-CB 3.43Å; G165-T168 PolarHBondContact O-N 3.1Å; L166-T168 VanDerWaalsContact C-N 3.29Å; L166-T168 PolarHBondContact O-N 2.81Å; T168-L171 PolarHBondContact O-N 2.95Å; T168-G172 PolarHBondContact O-N 3.11Å
169F98.6Very high97.5Very high3 Ų341.2 Ų41.21%0.01323%0.226CC..Hα-helixtrans-63.7-43.7177.3-175.7-108000112M62 T63 I66 G165 L166 V167 L171 G172 C173 I208M62-F169 HydrophobicContact CG-CD2 3.82Å; M62-F169 HydrophobicContact CG-CE2 4.46Å; M62-F169 HydrophobicContact SD-CB 4.21Å; M62-F169 HydrophobicContact SD-CD2 3.77Å; T63-F169 WeakPolarHBondContact OG1-CE2 3.32Å; I66-F169 HydrophobicContact CD1-CB 3.95Å; I66-F169 HydrophobicContact CD1-CD2 3.7Å; I66-F169 HydrophobicContact CD1-CE2 4.38Å; I66-F169 HydrophobicContact CD1-CG 3.81Å; G165-F169 WeakPolarHBondContact O-CB 3.07Å; G165-F169 PolarHBondContact O-N 3.05Å; L166-F169 PolarHBondContact O-N 3.19Å; V167-F169 VanDerWaalsContact C-N 3.34Å; V167-F169 PolarHBondContact O-N 3.49Å; F169-L171 PolarHBondContact O-N 3.16Å; F169-G172 WeakPolarHBondContact O-CA 3.34Å; F169-G172 PolarHBondContact O-N 2.92Å; F169-G172 VanDerWaalsContact O-N 3.13Å; F169-C173 VanDerWaalsContact CE1-SG 3.58Å; F169-C173 PolarHBondContact O-N 3.46Å; F169-I208 HydrophobicContact CD1-CB 4.01Å; F169-I208 HydrophobicContact CD1-CD1 4.1Å; F169-I208 HydrophobicContact CD1-CG2 3.62Å; F169-I208 HydrophobicContact CD2-CD1 4.5Å; F169-I208 HydrophobicContact CE1-CB 3.72Å; F169-I208 HydrophobicContact CE1-CD1 3.37Å; F169-I208 HydrophobicContact CE1-CG1 4.07Å; F169-I208 HydrophobicContact CE1-CG2 3.86Å; F169-I208 HydrophobicContact CE2-CD1 3.87Å; F169-I208 HydrophobicContact CG-CG2 4.32Å; F169-I208 HydrophobicContact CZ-CD1 3.26Å; F169-I208 HydrophobicContact CZ-CG1 4.4Å
170L98.6Very high97.8Very high54 Ų5435 Ų3528%0.28320%0.203SC..Hα-helixtrans-62.1-41.8176.8-66.4177.1000111.7L166 V167 G172 C173 T174 A205L166-L170 HydrophobicContact CD1-CD1 4.5Å; L166-L170 HydrophobicContact CD1-CG 4.3Å; L166-L170 HydrophobicContact CG-CD1 4.36Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.38Å; V167-L170 PolarHBondContact O-N 2.75Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.48Å; L170-C173 PolarHBondContact O-N 3.18Å; L170-T174 WeakPolarHBondContact O-CB 3.19Å; L170-T174 PolarHBondContact O-N 3.44Å; L170-T174 PolarHBondContact O-OG1 3.09Å; L170-T174 VanDerWaalsContact O-OG1 3.05Å; L170-A205 HydrophobicContact CD2-CB 3.78Å
171L98.6Very high98Very high45 Ų4532.3 Ų32.324%0.23620%0.202CC..Hα-helixtrans-59.8-40.2172.9-73.8172.2000112.1T129 V132 V167 T168 F169 T174 S175T129-L171 HydrophobicContact CG2-CB 4.12Å; V132-L171 HydrophobicContact CG1-CD1 4.41Å; V132-L171 HydrophobicContact CG2-CD1 4.29Å; V167-L171 HydrophobicContact CG1-CD1 4.33Å; V167-L171 WeakPolarHBondContact O-CG 3.41Å; V167-L171 PolarHBondContact O-N 2.69Å; T168-L171 PolarHBondContact O-N 2.95Å; F169-L171 PolarHBondContact O-N 3.16Å; L171-T174 PolarHBondContact O-N 3.05Å; L171-S175 WeakPolarHBondContact O-CB 3.28Å; L171-S175 PolarHBondContact O-N 2.72Å; L171-S175 PolarHBondContact O-OG 3.4Å
172G98.7Very high98Very high0 Ų032.1 Ų32.10%021%0.205CC..Hα-helixtrans-59-52.2171.900000112.5T168 F169 L170 T174 S175 L176T168-G172 PolarHBondContact O-N 3.11Å; F169-G172 WeakPolarHBondContact O-CA 3.34Å; F169-G172 PolarHBondContact O-N 2.92Å; F169-G172 VanDerWaalsContact O-N 3.13Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.48Å; G172-T174 PolarHBondContact O-N 2.99Å; G172-S175 PolarHBondContact O-N 3.37Å; G172-L176 WeakPolarHBondContact O-CG 3.1Å; G172-L176 PolarHBondContact O-N 2.89Å
173C98.8Very high98Very high6 Ų634.8 Ų34.84%0.04122%0.222CC..Hα-helixtrans-59.8-43.1177.1-69.50000112.5F169 L170 L176 L177 P201 A205F169-C173 VanDerWaalsContact CE1-SG 3.58Å; F169-C173 PolarHBondContact O-N 3.46Å; L170-C173 PolarHBondContact O-N 3.18Å; C173-L176 PolarHBondContact O-N 3.09Å; C173-L177 WeakPolarHBondContact O-CG 3.41Å; C173-L177 PolarHBondContact O-N 2.81Å; C173-P201 HydrophobicContact CB-CB 4.29Å; C173-P201 PolarHBondContact SG-O 3.43Å; C173-A205 HydrophobicContact CB-CB 4Å
174T98.8Very high98.1Very high64 Ų6435.2 Ų35.239%0.39321%0.214SC..Hα-helixtrans-63.5-42175.6-60.60000111.5L125 L170 L171 G172 L176 L177 L178L125-T174 HydrophobicContact CD1-CG2 4.4Å; L170-T174 WeakPolarHBondContact O-CB 3.19Å; L170-T174 PolarHBondContact O-N 3.44Å; L170-T174 PolarHBondContact O-OG1 3.09Å; L170-T174 VanDerWaalsContact O-OG1 3.05Å; L171-T174 PolarHBondContact O-N 3.05Å; G172-T174 PolarHBondContact O-N 2.99Å; T174-L176 VanDerWaalsContact C-N 3.35Å; T174-L176 PolarHBondContact O-N 3.18Å; T174-L177 PolarHBondContact O-N 3.38Å; T174-L178 HydrophobicContact CG2-CD1 4.18Å; T174-L178 WeakPolarHBondContact O-CG 3.32Å; T174-L178 PolarHBondContact O-N 3.48Å
175S98.7Very high98.2Very high8 Ų833.2 Ų33.26%0.05620%0.199CC..Hα-helixtrans-65-38.8177.5-63.30000112.1H122 T129 L171 G172 L178 G179H122-S175 PolarHBondContact CE1-O 3.26Å; H122-S175 PolarHBondContact ND1-O 3.03Å; T129-S175 PolarHBondContact OG1-OG 3.42Å; T129-S175 VanDerWaalsContact OG1-OG 3.05Å; L171-S175 WeakPolarHBondContact O-CB 3.28Å; L171-S175 PolarHBondContact O-N 2.72Å; L171-S175 PolarHBondContact O-OG 3.4Å; G172-S175 PolarHBondContact O-N 3.37Å; S175-L178 PolarHBondContact O-N 3.37Å; S175-G179 PolarHBondContact O-N 2.99Å
176L98.8Very high98.2Very high16 Ų1635.7 Ų35.78%0.08421%0.211CC..Hα-helixtrans-61.2-50172.2-71.2174000111F32 T55 F58 G172 C173 T174 L178 G179 L180 P201F32-L176 HydrophobicContact CE1-CD1 4.13Å; F32-L176 HydrophobicContact CE1-CD2 4.36Å; T55-L176 HydrophobicContact CG2-CD2 3.68Å; F58-L176 HydrophobicContact CB-CD1 3.91Å; F58-L176 HydrophobicContact CB-CG 4.35Å; G172-L176 WeakPolarHBondContact O-CG 3.1Å; G172-L176 PolarHBondContact O-N 2.89Å; C173-L176 PolarHBondContact O-N 3.09Å; T174-L176 VanDerWaalsContact C-N 3.35Å; T174-L176 PolarHBondContact O-N 3.18Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.37Å; L176-G179 WeakPolarHBondContact O-CA 3.43Å; L176-G179 PolarHBondContact O-N 2.88Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.14Å; L176-P201 HydrophobicContact CB-CB 4.2Å; L176-P201 HydrophobicContact CB-CG 4.44Å; L176-P201 HydrophobicContact CD1-CB 4.25Å
177L98.7Very high98.1Very high52 Ų5242 Ų4227%0.27224%0.24SC..Hα-helixtrans-56.1-46.1176.8-75.9168.7000112.1C173 T174 G179 L180 C181 A198 P201C173-L177 WeakPolarHBondContact O-CG 3.41Å; C173-L177 PolarHBondContact O-N 2.81Å; T174-L177 PolarHBondContact O-N 3.38Å; L177-G179 VanDerWaalsContact C-N 3.25Å; L177-G179 PolarHBondContact O-N 3.22Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 PolarHBondContact O-N 3.38Å; L177-L180 VanDerWaalsContact O-N 3.13Å; L177-C181 PolarHBondContact O-N 3.43Å; L177-C181 PolarHBondContact O-SG 2.89Å; L177-C181 VanDerWaalsContact O-SG 3.37Å; L177-A198 HydrophobicContact CD2-CB 4.07Å; L177-A198 VanDerWaalsContact CD2-O 3.28Å; L177-A198 WeakPolarHBondContact CD2-O 3.37Å; L177-P201 HydrophobicContact CD2-CG 3.74Å; L177-P201 HydrophobicContact CG-CB 4.41Å; L177-P201 HydrophobicContact CG-CG 3.87Å
178L98.6Very high98.1Very high49 Ų4941 Ų4126%0.25724%0.237SC..Hα-helixtrans-64-31.6175.6-70.3172.1000112.5W121 H122 L125 T174 S175 L176 C181 S182W121-L178 HydrophobicContact CB-CD1 4.27Å; H122-L178 HydrophobicContact CB-CB 3.84Å; L125-L178 HydrophobicContact CB-CD1 4.41Å; L125-L178 HydrophobicContact CD1-CD1 3.55Å; T174-L178 HydrophobicContact CG2-CD1 4.18Å; T174-L178 WeakPolarHBondContact O-CG 3.32Å; T174-L178 PolarHBondContact O-N 3.48Å; S175-L178 PolarHBondContact O-N 3.37Å; L176-L178 VanDerWaalsContact C-N 3.34Å; L176-L178 PolarHBondContact O-N 3.37Å; L178-C181 PolarHBondContact O-N 2.96Å; L178-S182 PolarHBondContact O-N 2.85Å
179G98.5Very high98Very high14 Ų1441.2 Ų41.214%0.14424%0.238CC..Hα-helixtrans-65.7-37.5172.800000112.4H122 S175 L176 L177 C181 S182H122-G179 WeakPolarHBondContact ND1-CA 3.5Å; H122-G179 PolarHBondContact ND1-N 3.47Å; S175-G179 PolarHBondContact O-N 2.99Å; L176-G179 WeakPolarHBondContact O-CA 3.43Å; L176-G179 PolarHBondContact O-N 2.88Å; L177-G179 VanDerWaalsContact C-N 3.25Å; L177-G179 PolarHBondContact O-N 3.22Å; G179-C181 PolarHBondContact O-N 3.4Å; G179-S182 WeakPolarHBondContact O-CB 3.49Å; G179-S182 PolarHBondContact O-N 3.28Å; G179-S182 VanDerWaalsContact O-N 3.08Å; G179-S182 PolarHBondContact O-OG 2.84Å
180L98.5Very high97.8Very high7 Ų743.6 Ų43.64%0.03726%0.264CS..Hα-helixtrans-68.9-21173.5-55.6177.7000112.5F32 I36 L176 L177 S182 F185 W194 A197 A198 P201F32-L180 HydrophobicContact CE2-CD1 4.18Å; F32-L180 HydrophobicContact CE2-CD2 4.2Å; F32-L180 HydrophobicContact CZ-CD1 4.29Å; F32-L180 HydrophobicContact CZ-CD2 4.2Å; I36-L180 HydrophobicContact CD1-CD2 4.19Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.14Å; L177-L180 WeakPolarHBondContact O-CB 3.35Å; L177-L180 PolarHBondContact O-N 3.38Å; L177-L180 VanDerWaalsContact O-N 3.13Å; L180-S182 VanDerWaalsContact C-N 3.32Å; L180-F185 HydrophobicContact CB-CD1 3.91Å; L180-F185 HydrophobicContact CB-CE1 4.04Å; L180-F185 HydrophobicContact CB-CG 4.37Å; L180-F185 HydrophobicContact CD2-CD1 4.01Å; L180-F185 HydrophobicContact CD2-CD2 3.73Å; L180-F185 HydrophobicContact CD2-CE1 3.76Å; L180-F185 HydrophobicContact CD2-CE2 3.5Å; L180-F185 VanDerWaalsContact CD2-CE2 3.5Å; L180-F185 HydrophobicContact CD2-CG 3.98Å; L180-F185 HydrophobicContact CD2-CZ 3.51Å; L180-F185 HydrophobicContact CG-CE1 4.4Å; L180-F185 WeakPolarHBondContact O-CD1 3.34Å; L180-W194 PolarHBondContact O-NE1 2.98Å; L180-A197 HydrophobicContact CD1-CB 4.17Å; L180-A197 WeakPolarHBondContact CD1-O 3.47Å; L180-A197 HydrophobicContact CD2-CB 4.49Å; L180-A198 HydrophobicContact CD1-CB 4.27Å; L180-P201 HydrophobicContact CD1-CG 4.46Å
181C97.9Very high97.6Very high73 Ų7343.6 Ų43.649%0.49328%0.276SS..THydrogen-bonded Turntrans-85.5-0.3171.4-57.70000113.6L177 L178 G179L177-C181 PolarHBondContact O-N 3.43Å; L177-C181 PolarHBondContact O-SG 2.89Å; L177-C181 VanDerWaalsContact O-SG 3.37Å; L178-C181 PolarHBondContact O-N 2.96Å; G179-C181 PolarHBondContact O-N 3.4Å
182S97.3Very high97.5Very high35 Ų3549.1 Ų49.125%0.24530%0.301CS..SBendtrans-71.6153.4178.771.50000111.6L178 G179 L180 W184 F185 T186L178-S182 PolarHBondContact O-N 2.85Å; G179-S182 WeakPolarHBondContact O-CB 3.49Å; G179-S182 PolarHBondContact O-N 3.28Å; G179-S182 VanDerWaalsContact O-N 3.08Å; G179-S182 PolarHBondContact O-OG 2.84Å; L180-S182 VanDerWaalsContact C-N 3.32Å; S182-W184 VanDerWaalsContact C-N 3.26Å; S182-W184 PolarHBondContact O-N 2.91Å; S182-F185 PolarHBondContact O-N 3.47Å; S182-T186 PolarHBondContact O-N 3.33Å; S182-T186 PolarHBondContact O-OG1 3.39Å; S182-T186 VanDerWaalsContact O-OG1 3.12Å
183S95.7Very high97.4Very high81 Ų8151.2 Ų51.257%0.56632%0.318SS*.Hα-helixtrans-54.1-43.817961.40000112.1F185 T186 E187S183-F185 VanDerWaalsContact C-N 3.33Å; S183-F185 PolarHBondContact O-N 3.13Å; S183-T186 WeakPolarHBondContact CA-OG1 3.42Å; S183-T186 PolarHBondContact O-N 2.91Å; S183-T186 PolarHBondContact O-OG1 3.31Å; S183-E187 VanDerWaalsContact O-CB 3.25Å; S183-E187 WeakPolarHBondContact O-CB 3.49Å; S183-E187 WeakPolarHBondContact O-CG 3.39Å; S183-E187 PolarHBondContact O-N 3.26Å
184W96.7Very high97.3Very high59 Ų5953.9 Ų53.922%0.22333%0.327CS..Hα-helixtrans-54.6-47176.9168.672.5000112.4F47 P51 S182 S188F47-W184 HydrophobicContact CE1-CB 4.31Å; F47-W184 AromaticContact CE1-CD1 3.58Å; F47-W184 AromaticContact CE1-CD2 3.61Å; F47-W184 HydrophobicContact CE1-CD2 3.61Å; F47-W184 AromaticContact CE1-CE2 3.73Å; F47-W184 HydrophobicContact CE1-CE3 4.32Å; F47-W184 AromaticContact CE1-CG 3.54Å; F47-W184 HydrophobicContact CE1-CG 3.54Å; F47-W184 HydrophobicContact CE1-CZ2 4.49Å; F47-W184 AromaticContact CE1-NE1 3.68Å; F47-W184 HydrophobicContact CZ-CB 4.07Å; F47-W184 AromaticContact CZ-CD2 3.83Å; F47-W184 HydrophobicContact CZ-CD2 3.83Å; F47-W184 HydrophobicContact CZ-CE3 4.21Å; F47-W184 AromaticContact CZ-CG 3.72Å; F47-W184 HydrophobicContact CZ-CG 3.72Å; P51-W184 HydrophobicContact CB-CH2 3.77Å; P51-W184 HydrophobicContact CB-CZ3 3.72Å; P51-W184 HydrophobicContact CG-CH2 3.75Å; P51-W184 HydrophobicContact CG-CZ2 4.21Å; P51-W184 HydrophobicContact CG-CZ3 4.02Å; S182-W184 VanDerWaalsContact C-N 3.26Å; S182-W184 PolarHBondContact O-N 2.91Å; W184-S188 WeakPolarHBondContact O-CB 3.34Å; W184-S188 PolarHBondContact O-N 2.87Å; W184-S188 PolarHBondContact O-OG 3.41Å
185F98.1Very high97.3Very high1 Ų158.5 Ų58.50%0.00434%0.339CS..Hα-helixtrans-74-43-177.4-170-91.1000111.6F35 I36 L39 L180 S182 S183 E187 S188 V189 W194 A197F35-F185 HydrophobicContact CE1-CE2 4.23Å; F35-F185 HydrophobicContact CE1-CZ 4.05Å; I36-F185 HydrophobicContact CD1-CD2 4.25Å; I36-F185 HydrophobicContact CD1-CE2 3.59Å; I36-F185 HydrophobicContact CD1-CZ 4.49Å; L39-F185 HydrophobicContact CD1-CE2 3.81Å; L180-F185 HydrophobicContact CB-CD1 3.91Å; L180-F185 HydrophobicContact CB-CE1 4.04Å; L180-F185 HydrophobicContact CB-CG 4.37Å; L180-F185 HydrophobicContact CD2-CD1 4.01Å; L180-F185 HydrophobicContact CD2-CD2 3.73Å; L180-F185 HydrophobicContact CD2-CE1 3.76Å; L180-F185 HydrophobicContact CD2-CE2 3.5Å; L180-F185 VanDerWaalsContact CD2-CE2 3.5Å; L180-F185 HydrophobicContact CD2-CG 3.98Å; L180-F185 HydrophobicContact CD2-CZ 3.51Å; L180-F185 HydrophobicContact CG-CE1 4.4Å; L180-F185 WeakPolarHBondContact O-CD1 3.34Å; S182-F185 PolarHBondContact O-N 3.47Å; S183-F185 VanDerWaalsContact C-N 3.33Å; S183-F185 PolarHBondContact O-N 3.13Å; F185-E187 VanDerWaalsContact C-N 3.3Å; F185-E187 PolarHBondContact O-N 3.33Å; F185-S188 PolarHBondContact O-N 2.96Å; F185-S188 VanDerWaalsContact O-N 3.1Å; F185-V189 HydrophobicContact CD1-CB 4.25Å; F185-V189 HydrophobicContact CD2-CG2 4.41Å; F185-V189 HydrophobicContact CE1-CB 3.75Å; F185-V189 HydrophobicContact CE1-CG1 4.04Å; F185-V189 HydrophobicContact CE1-CG2 4.15Å; F185-V189 HydrophobicContact CE2-CB 4.39Å; F185-V189 HydrophobicContact CE2-CG2 3.87Å; F185-V189 HydrophobicContact CZ-CB 3.82Å; F185-V189 HydrophobicContact CZ-CG1 4.01Å; F185-V189 HydrophobicContact CZ-CG2 3.73Å; F185-V189 PolarHBondContact O-N 3.2Å; F185-W194 AromaticContact CD1-CD1 3.65Å; F185-W194 AromaticContact CD1-NE1 3.8Å; F185-W194 AromaticContact CE1-CD1 3.52Å; F185-W194 HydrophobicContact CE1-CG 4.3Å; F185-W194 AromaticContact CE1-NE1 3.94Å; F185-A197 HydrophobicContact CE1-CB 4.26Å; F185-A197 HydrophobicContact CZ-CB 3.73Å
186T97.8Very high97.2Very high69 Ų6963.7 Ų63.742%0.42337%0.365SS..Hα-helixtrans-69.9-26.2-178.855.40000113.3S182 S183S182-T186 PolarHBondContact O-N 3.33Å; S182-T186 PolarHBondContact O-OG1 3.39Å; S182-T186 VanDerWaalsContact O-OG1 3.12Å; S183-T186 WeakPolarHBondContact CA-OG1 3.42Å; S183-T186 PolarHBondContact O-N 2.91Å; S183-T186 PolarHBondContact O-OG1 3.31Å
187E97.3Very high97.1Very high157 Ų15763.1 Ų63.173%0.73436%0.363SS*.Hα-helixtrans-74.7-30.3170.5-72.5165.4-163.100111.8S183 F185S183-E187 VanDerWaalsContact O-CB 3.25Å; S183-E187 WeakPolarHBondContact O-CB 3.49Å; S183-E187 WeakPolarHBondContact O-CG 3.39Å; S183-E187 PolarHBondContact O-N 3.26Å; F185-E187 VanDerWaalsContact C-N 3.3Å; F185-E187 PolarHBondContact O-N 3.33Å
188S96.4Very high97.1Very high64 Ų6461.2 Ų61.245%0.44835%0.354SS..Hα-helixtrans-86.1-31.4-179.2-56.70000113.4W184 F185W184-S188 WeakPolarHBondContact O-CB 3.34Å; W184-S188 PolarHBondContact O-N 2.87Å; W184-S188 PolarHBondContact O-OG 3.41Å; F185-S188 PolarHBondContact O-N 2.96Å; F185-S188 VanDerWaalsContact O-N 3.1Å
189V97.4Very high97.1Very high9 Ų963.5 Ų63.56%0.05537%0.366CS..  trans-136.7115.7-170.2-175.10000110.1F35 L39 F185 A193 W194F35-V189 HydrophobicContact CZ-CG1 4.28Å; F35-V189 HydrophobicContact CZ-CG2 4.06Å; L39-V189 HydrophobicContact CD1-CG2 3.4Å; L39-V189 VanDerWaalsContact CD1-CG2 3.4Å; L39-V189 HydrophobicContact CD2-CG2 4.11Å; L39-V189 HydrophobicContact CG-CG2 4.41Å; F185-V189 HydrophobicContact CD1-CB 4.25Å; F185-V189 HydrophobicContact CD2-CG2 4.41Å; F185-V189 HydrophobicContact CE1-CB 3.75Å; F185-V189 HydrophobicContact CE1-CG1 4.04Å; F185-V189 HydrophobicContact CE1-CG2 4.15Å; F185-V189 HydrophobicContact CE2-CB 4.39Å; F185-V189 HydrophobicContact CE2-CG2 3.87Å; F185-V189 HydrophobicContact CZ-CB 3.82Å; F185-V189 HydrophobicContact CZ-CG1 4.01Å; F185-V189 HydrophobicContact CZ-CG2 3.73Å; F185-V189 PolarHBondContact O-N 3.2Å; V189-A193 HydrophobicContact CG1-CB 3.62Å; V189-W194 HydrophobicContact CG1-CB 4.36Å
190G94.6Very high97.1Very high53 Ų5363.9 Ų63.955%0.54637%0.366SS..  trans-117.5175178.100000114.1A193G190-A193 PolarHBondContact O-N 3.04Å
191G94.4Very high97.1Very high53 Ų5363.8 Ų63.855%0.54637%0.366SS..Hα-helixtrans57.3-138.5171.800000113.9A193 W194 Y195G191-A193 VanDerWaalsContact C-N 3.28Å; G191-A193 PolarHBondContact O-N 2.92Å; G191-W194 PolarHBondContact O-N 3.33Å; G191-Y195 VanDerWaalsContact O-CD2 3.3Å; G191-Y195 WeakPolarHBondContact O-CD2 3.36Å
192H95.6Very high97.1Very high162 Ų16262 Ų6275%0.7536%0.356SS*.Hα-helixtrans-62.9-31.3-176.4-60-54.6000113.8W194 Y195 L196H192-W194 VanDerWaalsContact C-N 3.25Å; H192-W194 PolarHBondContact O-N 3.05Å; H192-Y195 PolarHBondContact O-N 3.27Å; H192-L196 WeakPolarHBondContact O-CG 3.21Å; H192-L196 PolarHBondContact O-N 2.99Å
193A96.1Very high97.1Very high44 Ų4462.8 Ų62.836%0.36436%0.358SS..Hα-helixtrans-63-34.2179.700000112V189 G190 G191 L196 A197V189-A193 HydrophobicContact CG1-CB 3.62Å; G190-A193 PolarHBondContact O-N 3.04Å; G191-A193 VanDerWaalsContact C-N 3.28Å; G191-A193 PolarHBondContact O-N 2.92Å; A193-L196 PolarHBondContact O-N 3.35Å; A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 3.16Å
194W97.9Very high97.2Very high62 Ų6259.2 Ų59.224%0.23533%0.332CS..Hα-helixtrans-63.9-47.7175.3-172.897.2000111.4L180 F185 V189 G191 H192 L196 A197 A198L180-W194 PolarHBondContact O-NE1 2.98Å; F185-W194 AromaticContact CD1-CD1 3.65Å; F185-W194 AromaticContact CD1-NE1 3.8Å; F185-W194 AromaticContact CE1-CD1 3.52Å; F185-W194 HydrophobicContact CE1-CG 4.3Å; F185-W194 AromaticContact CE1-NE1 3.94Å; V189-W194 HydrophobicContact CG1-CB 4.36Å; G191-W194 PolarHBondContact O-N 3.33Å; H192-W194 VanDerWaalsContact C-N 3.25Å; H192-W194 PolarHBondContact O-N 3.05Å; W194-L196 VanDerWaalsContact C-N 3.32Å; W194-L196 PolarHBondContact O-N 3.49Å; W194-A197 PolarHBondContact O-N 3.42Å; W194-A197 VanDerWaalsContact O-N 3.14Å; W194-A198 HydrophobicContact CE3-CB 4.09Å; W194-A198 HydrophobicContact CH2-CB 3.91Å; W194-A198 HydrophobicContact CZ2-CB 4.43Å; W194-A198 HydrophobicContact CZ3-CB 3.72Å; W194-A198 WeakPolarHBondContact O-CB 3.13Å; W194-A198 PolarHBondContact O-N 3.46Å
195Y97.8Very high97.3Very high160 Ų16057 Ų5763%0.62733%0.326SS*.Hα-helixtrans-64.1-37.6178.7-66.6-75.2000112.1G191 H192 A198 I199G191-Y195 VanDerWaalsContact O-CD2 3.3Å; G191-Y195 WeakPolarHBondContact O-CD2 3.36Å; H192-Y195 PolarHBondContact O-N 3.27Å; Y195-A198 PolarHBondContact O-N 3.11Å; Y195-I199 WeakPolarHBondContact O-CB 3.34Å; Y195-I199 PolarHBondContact O-N 3.23Å
196L97.1Very high97.3Very high117 Ų11761.8 Ų61.861%0.61335%0.352SS*.Hα-helixtrans-64.7-38.3173.4-69.9173.9000112H192 A193 W194 I199 C200H192-L196 WeakPolarHBondContact O-CG 3.21Å; H192-L196 PolarHBondContact O-N 2.99Å; A193-L196 PolarHBondContact O-N 3.35Å; W194-L196 VanDerWaalsContact C-N 3.32Å; W194-L196 PolarHBondContact O-N 3.49Å; L196-I199 WeakPolarHBondContact O-CG2 3.28Å; L196-C200 PolarHBondContact O-SG 2.69Å
197A97.9Very high97.2Very high4 Ų459.3 Ų59.33%0.03334%0.336CS..Hα-helixtrans-68.5-40.6173.900000111.7F32 F35 L180 F185 A193 W194 C200 P201F32-A197 HydrophobicContact CE2-CB 4.37Å; F32-A197 WeakPolarHBondContact CE2-O 3.46Å; F35-A197 HydrophobicContact CE1-CB 3.98Å; L180-A197 HydrophobicContact CD1-CB 4.17Å; L180-A197 WeakPolarHBondContact CD1-O 3.47Å; L180-A197 HydrophobicContact CD2-CB 4.49Å; F185-A197 HydrophobicContact CE1-CB 4.26Å; F185-A197 HydrophobicContact CZ-CB 3.73Å; A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 3.16Å; W194-A197 PolarHBondContact O-N 3.42Å; W194-A197 VanDerWaalsContact O-N 3.14Å; A197-C200 WeakPolarHBondContact O-CB 3.43Å; A197-C200 PolarHBondContact O-N 2.93Å; A197-P201 WeakPolarHBondContact O-CD 3.44Å
198A97.9Very high97.1Very high12 Ų1251.9 Ų51.910%0.09930%0.301CS..Hα-helixtrans-69.7-35-179.300000112.9L177 L180 W194 Y195 C200 P201L177-A198 HydrophobicContact CD2-CB 4.07Å; L177-A198 VanDerWaalsContact CD2-O 3.28Å; L177-A198 WeakPolarHBondContact CD2-O 3.37Å; L180-A198 HydrophobicContact CD1-CB 4.27Å; W194-A198 HydrophobicContact CE3-CB 4.09Å; W194-A198 HydrophobicContact CH2-CB 3.91Å; W194-A198 HydrophobicContact CZ2-CB 4.43Å; W194-A198 HydrophobicContact CZ3-CB 3.72Å; W194-A198 WeakPolarHBondContact O-CB 3.13Å; W194-A198 PolarHBondContact O-N 3.46Å; Y195-A198 PolarHBondContact O-N 3.11Å; A198-C200 PolarHBondContact O-N 3.05Å; A198-P201 WeakPolarHBondContact O-CD 3.5Å
199I98Very high97.1Very high98 Ų9852.3 Ų52.350%0.50330%0.297SS..Hα-helixtrans-67-25.7178.9-152.2174.1000112Y195 L196 A202 L203Y195-I199 WeakPolarHBondContact O-CB 3.34Å; Y195-I199 PolarHBondContact O-N 3.23Å; L196-I199 WeakPolarHBondContact O-CG2 3.28Å; I199-A202 PolarHBondContact O-N 3.23Å; I199-L203 WeakPolarHBondContact O-CB 3.49Å; I199-L203 PolarHBondContact O-N 3.19Å
200C98.5Very high96.9Very high22 Ų2255.8 Ų55.815%0.14932%0.315CS..Hα-helixtrans-56.4-65.6178.7-70.60000112.9I28 F32 L196 A197 A198 A202 L203 S204I28-C200 HydrophobicContact CG2-CB 3.65Å; F32-C200 HydrophobicContact CB-CB 3.99Å; F32-C200 HydrophobicContact CD2-CB 3.79Å; F32-C200 HydrophobicContact CE2-CB 4.45Å; F32-C200 HydrophobicContact CG-CB 3.93Å; L196-C200 PolarHBondContact O-SG 2.69Å; A197-C200 WeakPolarHBondContact O-CB 3.43Å; A197-C200 PolarHBondContact O-N 2.93Å; A198-C200 PolarHBondContact O-N 3.05Å; C200-A202 VanDerWaalsContact C-N 3.29Å; C200-A202 PolarHBondContact O-N 3.38Å; C200-L203 PolarHBondContact O-N 2.99Å; C200-S204 PolarHBondContact O-N 3.39Å; C200-S204 PolarHBondContact O-OG 3.13Å; C200-S204 VanDerWaalsContact O-OG 3.1Å
201P98.3Very high96.6Very high5 Ų554.4 Ų54.43%0.03230%0.295CS..Hα-helixtrans-64.7-31.8179.326.2-34.7000112.7C173 L176 L177 L180 A197 A198 A205C173-P201 HydrophobicContact CB-CB 4.29Å; C173-P201 PolarHBondContact SG-O 3.43Å; L176-P201 HydrophobicContact CB-CB 4.2Å; L176-P201 HydrophobicContact CB-CG 4.44Å; L176-P201 HydrophobicContact CD1-CB 4.25Å; L177-P201 HydrophobicContact CD2-CG 3.74Å; L177-P201 HydrophobicContact CG-CB 4.41Å; L177-P201 HydrophobicContact CG-CG 3.87Å; L180-P201 HydrophobicContact CD1-CG 4.46Å; A197-P201 WeakPolarHBondContact O-CD 3.44Å; A198-P201 WeakPolarHBondContact O-CD 3.5Å; P201-A205 VanDerWaalsContact O-CB 3.31Å; P201-A205 WeakPolarHBondContact O-CB 3.41Å; P201-A205 PolarHBondContact O-N 3.08Å
202A98.4Very high96.4Very high35 Ų3553 Ų5329%0.28928%0.275SS..Hα-helixtrans-65.8-46.2177.400000112I199 C200 A205 L206I199-A202 PolarHBondContact O-N 3.23Å; C200-A202 VanDerWaalsContact C-N 3.29Å; C200-A202 PolarHBondContact O-N 3.38Å; A202-A205 WeakPolarHBondContact O-CB 3.47Å; A202-A205 PolarHBondContact O-N 3Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.36Å; A202-L206 VanDerWaalsContact O-N 3.11Å
203L98Very high96Very high52 Ų5247.8 Ų47.827%0.27226%0.257SS..Hα-helixtrans-69.8-41179.6-172.259.1000111.4L24 I28 I199 C200 A205 L206 I207L24-L203 HydrophobicContact CD2-CD2 3.67Å; L24-L203 HydrophobicContact CG-CD2 4.46Å; I28-L203 HydrophobicContact CD1-CB 4.48Å; I28-L203 HydrophobicContact CD1-CD2 3.97Å; I28-L203 HydrophobicContact CD1-CG 4.46Å; I199-L203 WeakPolarHBondContact O-CB 3.49Å; I199-L203 PolarHBondContact O-N 3.19Å; C200-L203 PolarHBondContact O-N 2.99Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.48Å; L203-L206 PolarHBondContact O-N 3.31Å; L203-I207 HydrophobicContact CD1-CD1 3.99Å; L203-I207 HydrophobicContact CD1-CG1 4.3Å; L203-I207 HydrophobicContact CD2-CD1 4.45Å; L203-I207 HydrophobicContact CG-CD1 3.74Å; L203-I207 HydrophobicContact CG-CG1 4.45Å; L203-I207 VanDerWaalsContact O-CG1 3.3Å; L203-I207 WeakPolarHBondContact O-CG1 3.43Å; L203-I207 PolarHBondContact O-N 3.36Å
204S98.1Very high95.4Very high5 Ų547.2 Ų47.24%0.03525%0.251CS..Hα-helixtrans-58.6-42.9172.9-620000111.8I28 C200 I207 I208I28-S204 WeakPolarHBondContact CG2-OG 3.1Å; C200-S204 PolarHBondContact O-N 3.39Å; C200-S204 PolarHBondContact O-OG 3.13Å; C200-S204 VanDerWaalsContact O-OG 3.1Å; S204-I207 PolarHBondContact O-N 3.37Å; S204-I208 WeakPolarHBondContact O-CB 3.38Å; S204-I208 PolarHBondContact O-N 2.81Å
205A98.1Very high94.5Very high12 Ų1246.9 Ų46.910%0.09926%0.261CS..Hα-helixtrans-57.2-49.7174.800000112.1L170 C173 P201 A202 L203 M209L170-A205 HydrophobicContact CD2-CB 3.78Å; C173-A205 HydrophobicContact CB-CB 4Å; P201-A205 VanDerWaalsContact O-CB 3.31Å; P201-A205 WeakPolarHBondContact O-CB 3.41Å; P201-A205 PolarHBondContact O-N 3.08Å; A202-A205 WeakPolarHBondContact O-CB 3.47Å; A202-A205 PolarHBondContact O-N 3Å; L203-A205 VanDerWaalsContact C-N 3.32Å; L203-A205 PolarHBondContact O-N 3.48Å; A205-M209 WeakPolarHBondContact O-CB 3.48Å; A205-M209 PolarHBondContact O-N 3.39Å
206L97.3Very high93.3Very high102 Ų10243.1 Ų43.153%0.53425%0.246SC..Hα-helixtrans-62.7-45.1-179.9-69.4174.2000112.2A202 L203 M209 N210A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.36Å; A202-L206 VanDerWaalsContact O-N 3.11Å; L203-L206 PolarHBondContact O-N 3.31Å; L206-M209 HydrophobicContact CD2-CE 3.91Å; L206-M209 PolarHBondContact O-N 3.42Å; L206-N210 WeakPolarHBondContact O-CB 3.18Å; L206-N210 PolarHBondContact O-N 3.32Å
207I96.2Very high91.7Very high18 Ų1841.4 Ų41.49%0.09224%0.24CC..Hα-helixtrans-67.5-45.1-177.8-65.4167.3000110.8T25 L203 S204 N210 Q211T25-I207 VanDerWaalsContact OG1-CD1 3.31Å; T25-I207 WeakPolarHBondContact OG1-CD1 3.38Å; T25-I207 WeakPolarHBondContact OG1-CG2 3.35Å; L203-I207 HydrophobicContact CD1-CD1 3.99Å; L203-I207 HydrophobicContact CD1-CG1 4.3Å; L203-I207 HydrophobicContact CD2-CD1 4.45Å; L203-I207 HydrophobicContact CG-CD1 3.74Å; L203-I207 HydrophobicContact CG-CG1 4.45Å; L203-I207 VanDerWaalsContact O-CG1 3.3Å; L203-I207 WeakPolarHBondContact O-CG1 3.43Å; L203-I207 PolarHBondContact O-N 3.36Å; S204-I207 PolarHBondContact O-N 3.37Å; I207-N210 PolarHBondContact O-N 2.83Å; I207-Q211 WeakPolarHBondContact O-CB 3.25Å; I207-Q211 PolarHBondContact O-N 3.11Å
208I95.9Very high89.9Confident0 Ų043.7 Ų43.70%026%0.259CS..Hα-helixtrans-66.7-41.4177.4-80.4169.2000111.3T63 I66 L67 L166 F169 S204 N210 Q211 V212T63-I208 HydrophobicContact CG2-CD1 4Å; I66-I208 HydrophobicContact CB-CD1 4.43Å; I66-I208 HydrophobicContact CD1-CD1 4.44Å; I66-I208 HydrophobicContact CD1-CG2 4.31Å; I66-I208 HydrophobicContact CG2-CD1 4.29Å; I66-I208 HydrophobicContact CG2-CG1 4.22Å; I66-I208 HydrophobicContact CG2-CG2 3.93Å; L67-I208 HydrophobicContact CD2-CG1 4.26Å; L166-I208 HydrophobicContact CD1-CG2 4.03Å; F169-I208 HydrophobicContact CD1-CB 4.01Å; F169-I208 HydrophobicContact CD1-CD1 4.1Å; F169-I208 HydrophobicContact CD1-CG2 3.62Å; F169-I208 HydrophobicContact CD2-CD1 4.5Å; F169-I208 HydrophobicContact CE1-CB 3.72Å; F169-I208 HydrophobicContact CE1-CD1 3.37Å; F169-I208 HydrophobicContact CE1-CG1 4.07Å; F169-I208 HydrophobicContact CE1-CG2 3.86Å; F169-I208 HydrophobicContact CE2-CD1 3.87Å; F169-I208 HydrophobicContact CG-CG2 4.32Å; F169-I208 HydrophobicContact CZ-CD1 3.26Å; F169-I208 HydrophobicContact CZ-CG1 4.4Å; S204-I208 WeakPolarHBondContact O-CB 3.38Å; S204-I208 PolarHBondContact O-N 2.81Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 3.31Å; I208-Q211 PolarHBondContact O-N 3.5Å; I208-V212 HydrophobicContact CG2-CG2 4.2Å; I208-V212 WeakPolarHBondContact O-CG2 3.1Å; I208-V212 PolarHBondContact O-N 3.29Å
209M95.5Very high88.1Confident74 Ų7448.3 Ų48.337%0.36528%0.277SS..Hα-helixtrans-58.6-45.8175179.5177.167.900111.5L166 A205 L206 S213L166-M209 HydrophobicContact CD1-CB 4.1Å; L166-M209 HydrophobicContact CD2-CG 4.29Å; A205-M209 WeakPolarHBondContact O-CB 3.48Å; A205-M209 PolarHBondContact O-N 3.39Å; L206-M209 HydrophobicContact CD2-CE 3.91Å; L206-M209 PolarHBondContact O-N 3.42Å; M209-S213 WeakPolarHBondContact O-CB 3.41Å; M209-S213 PolarHBondContact O-N 3.2Å; M209-S213 PolarHBondContact O-OG 3.05Å
210N92.6Very high86.2Confident82 Ų8251.4 Ų51.444%0.43929%0.287SS..Hα-helixtrans-62.9-44176.5-178.341.1000111.6L206 I207 I208 S214L206-N210 WeakPolarHBondContact O-CB 3.18Å; L206-N210 PolarHBondContact O-N 3.32Å; I207-N210 PolarHBondContact O-N 2.83Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 3.31Å; N210-S214 WeakPolarHBondContact O-CB 3.5Å; N210-S214 PolarHBondContact O-N 3.25Å; N210-S214 PolarHBondContact O-OG 3.36Å; N210-S214 PolarHBondContact OD1-OG 3.41Å
211Q90.1Very high84.2Confident24 Ų2459.5 Ų59.511%0.11231%0.314CS..Hα-helixtrans-60.1-52.5178.1178-177.5-85.600111.8S70 I207 I208 A215S70-Q211 PolarHBondContact OG-OE1 3.26Å; I207-Q211 WeakPolarHBondContact O-CB 3.25Å; I207-Q211 PolarHBondContact O-N 3.11Å; I208-Q211 PolarHBondContact O-N 3.5Å; Q211-A215 PolarHBondContact O-N 2.83Å; Q211-A215 VanDerWaalsContact O-N 3.12Å
212V89.6Confident82Confident23 Ų2366.5 Ų66.514%0.13935%0.351CS..Hα-helixtrans-65.1-47.2-177.1175.10000110I66 L166 I208 S214 A215 Y216I66-V212 HydrophobicContact CG2-CG2 4.48Å; L166-V212 HydrophobicContact CB-CG1 4.31Å; L166-V212 HydrophobicContact CD2-CB 4.27Å; L166-V212 HydrophobicContact CD2-CG1 4.16Å; I208-V212 HydrophobicContact CG2-CG2 4.2Å; I208-V212 WeakPolarHBondContact O-CG2 3.1Å; I208-V212 PolarHBondContact O-N 3.29Å; V212-S214 PolarHBondContact O-N 2.92Å; V212-A215 PolarHBondContact O-N 3.12Å; V212-Y216 HydrophobicContact CG1-CD2 4.1Å; V212-Y216 HydrophobicContact CG1-CE2 4Å; V212-Y216 VanDerWaalsContact O-CD2 3.23Å; V212-Y216 WeakPolarHBondContact O-CD2 3.48Å; V212-Y216 PolarHBondContact O-N 3.33Å
213S87.6Confident79.5Confident53 Ų5371.4 Ų71.437%0.37137%0.368SS..Hα-helixtrans-62-45.2179.9-59.50000112M209 A215 Y216 V217M209-S213 WeakPolarHBondContact O-CB 3.41Å; M209-S213 PolarHBondContact O-N 3.2Å; M209-S213 PolarHBondContact O-OG 3.05Å; S213-A215 VanDerWaalsContact C-N 3.32Å; S213-A215 PolarHBondContact O-N 2.98Å; S213-Y216 PolarHBondContact O-N 2.75Å; S213-Y216 VanDerWaalsContact O-N 3.17Å; S213-V217 WeakPolarHBondContact O-CG2 3.45Å; S213-V217 PolarHBondContact O-N 2.84Å
214S83.3Confident77.1Confident32 Ų3276 Ų7622%0.22440%0.404CS..Hα-helixtrans-61.7-38.6178.9-68.80000112.6N210 V212 Y216 V217 A218N210-S214 WeakPolarHBondContact O-CB 3.5Å; N210-S214 PolarHBondContact O-N 3.25Å; N210-S214 PolarHBondContact O-OG 3.36Å; N210-S214 PolarHBondContact OD1-OG 3.41Å; V212-S214 PolarHBondContact O-N 2.92Å; S214-Y216 VanDerWaalsContact C-N 3.29Å; S214-Y216 PolarHBondContact O-N 3.25Å; S214-V217 PolarHBondContact O-N 2.87Å; S214-A218 VanDerWaalsContact O-CB 3.25Å; S214-A218 WeakPolarHBondContact O-CB 3.39Å; S214-A218 PolarHBondContact O-N 3.14Å
215A78.8Confident76Confident55 Ų5579.6 Ų79.646%0.45542%0.423SS..Hα-helixtrans-62.9-35.4177.300000112.5Q211 V212 S213 K219Q211-A215 PolarHBondContact O-N 2.83Å; Q211-A215 VanDerWaalsContact O-N 3.12Å; V212-A215 PolarHBondContact O-N 3.12Å; S213-A215 VanDerWaalsContact C-N 3.32Å; S213-A215 PolarHBondContact O-N 2.98Å; A215-K219 PolarHBondContact O-N 3.1Å
216Y71.3Confident74.8Confident80 Ų8083.1 Ų83.131%0.31444%0.44SS..Hα-helixtrans-79.7-39.8177.5-78-69.7000113.4K158 R159 A162 V212 S213 S214 K219 K220K158-Y216 PolarHBondContact O-OH 2.86Å; R159-Y216 HydrophobicContact CB-CE1 3.97Å; R159-Y216 HydrophobicContact CG-CD1 4.09Å; R159-Y216 HydrophobicContact CG-CE1 3.77Å; A162-Y216 HydrophobicContact CB-CE2 3.47Å; A162-Y216 VanDerWaalsContact CB-CE2 3.47Å; A162-Y216 WeakPolarHBondContact CB-OH 3.39Å; V212-Y216 HydrophobicContact CG1-CD2 4.1Å; V212-Y216 HydrophobicContact CG1-CE2 4Å; V212-Y216 VanDerWaalsContact O-CD2 3.23Å; V212-Y216 WeakPolarHBondContact O-CD2 3.48Å; V212-Y216 PolarHBondContact O-N 3.33Å; S213-Y216 PolarHBondContact O-N 2.75Å; S213-Y216 VanDerWaalsContact O-N 3.17Å; S214-Y216 VanDerWaalsContact C-N 3.29Å; S214-Y216 PolarHBondContact O-N 3.25Å; Y216-K219 PolarHBondContact O-N 2.89Å; Y216-K220 PolarHBondContact O-N 3.42Å
217V64.6Low73.6Confident81 Ų8182.1 Ų82.149%0.49144%0.435SS..Hα-helixtrans-64.4-44.1176.5172.90000111S213 S214 K219 K220 R221S213-V217 WeakPolarHBondContact O-CG2 3.45Å; S213-V217 PolarHBondContact O-N 2.84Å; S214-V217 PolarHBondContact O-N 2.87Å; V217-K219 VanDerWaalsContact C-N 3.27Å; V217-K219 PolarHBondContact O-N 3.35Å; V217-K220 PolarHBondContact O-N 2.9Å; V217-K220 VanDerWaalsContact O-N 3.16Å; V217-R221 PolarHBondContact O-N 3.45Å
218A60.8Low72.3Confident52 Ų5285.8 Ų85.843%0.4346%0.455SS..Hα-helixtrans-59.1-40177.400000112S214 K220 R221 L222S214-A218 VanDerWaalsContact O-CB 3.25Å; S214-A218 WeakPolarHBondContact O-CB 3.39Å; S214-A218 PolarHBondContact O-N 3.14Å; A218-K220 VanDerWaalsContact C-N 3.34Å; A218-K220 PolarHBondContact O-N 2.96Å; A218-R221 PolarHBondContact O-N 3Å; A218-L222 PolarHBondContact O-N 3.46Å
219K59.8Low70.8Confident109 Ų10991.2 Ų91.247%0.47448%0.483SS..Hα-helixtrans-67.9-32.5178.6-165.3170.9179.2173.80112.9A215 Y216 V217 Q223A215-K219 PolarHBondContact O-N 3.1Å; Y216-K219 PolarHBondContact O-N 2.89Å; V217-K219 VanDerWaalsContact C-N 3.27Å; V217-K219 PolarHBondContact O-N 3.35Å; K219-Q223 WeakPolarHBondContact O-CG 3.3Å
220K58.6Low69.1Low164 Ų16492.3 Ų92.371%0.71349%0.491SS*.Hα-helixtrans-67.8-39.3176.9-170.5178.2177.2-175.50112Y216 V217 A218 L222 Q223 S224Y216-K220 PolarHBondContact O-N 3.42Å; V217-K220 PolarHBondContact O-N 2.9Å; V217-K220 VanDerWaalsContact O-N 3.16Å; A218-K220 VanDerWaalsContact C-N 3.34Å; A218-K220 PolarHBondContact O-N 2.96Å; K220-L222 VanDerWaalsContact C-N 3.34Å; K220-L222 PolarHBondContact O-N 3.22Å; K220-Q223 PolarHBondContact O-N 3.34Å; K220-S224 PolarHBondContact O-N 3.27Å
221R54.7Low67.5Low191 Ų19193.1 Ų93.172%0.72150%0.495SS*.Hα-helixtrans-68.7-28.2178.6-69.4-177.4179.6-179.8-1.3114V217 A218 Q223 S224V217-R221 PolarHBondContact O-N 3.45Å; A218-R221 PolarHBondContact O-N 3Å; R221-Q223 VanDerWaalsContact C-N 3.3Å; R221-S224 PolarHBondContact O-OG 3.32Å
222L52.2Low65.7Low153 Ų15398.4 Ų98.480%0.80152%0.524SS*.THydrogen-bonded Turntrans-82.1-8.3176.8-69.5167.2000113.2A218 K220A218-L222 PolarHBondContact O-N 3.46Å; K220-L222 VanDerWaalsContact C-N 3.34Å; K220-L222 PolarHBondContact O-N 3.22Å
223Q47.2Very low63.7Low137 Ų137104.7 Ų104.764%0.6456%0.556SS**  trans-111.5-2.1-178.2-68.2-174.5-39.100113.1K219 K220 R221K219-Q223 WeakPolarHBondContact O-CG 3.3Å; K220-Q223 PolarHBondContact O-N 3.34Å; R221-Q223 VanDerWaalsContact C-N 3.3Å
224S46.1Very low61.6Low149 Ų149109.4 Ų109.4100%1.04257%0.573SS**  trans-102.70173.5600000110.1K220 R221K220-S224 PolarHBondContact O-N 3.27Å; R221-S224 PolarHBondContact O-OG 3.32Å

Retrieved 224 of 224 residues in 234.1 ms (Link to these results)

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