G4LZH0_SCHMA Loading...

Organic solute transporter, putative

AlphaFold DB , UniProt , Accession G4LZH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 439 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
1M50.9Low65.8Low217 Ų217113.3 Ų113.3100%1.06962%0.62SS**  08.60-74.3166.57800113.9
2N61Low66.1Low127 Ų127109.2 Ų109.268%0.67960%0.601SS**  trans-96.4-18.9-176.6-73.66.7000115.7S5 L6N2-S5 PolarHBondContact O-OG 2.9Å; N2-L6 PolarHBondContact O-N 3.49Å
3N59.8Low65.8Low132 Ų132108.7 Ų108.771%0.70659%0.591SS**Hα-helixtrans-78.8-36.1-174.9-70.26.7000112.6S5 L6 E7N3-S5 PolarHBondContact O-N 3.07Å; N3-L6 PolarHBondContact O-N 2.64Å; N3-E7 PolarHBondContact O-N 3.18Å; N3-E7 VanDerWaalsContact O-N 3.16Å
4S63.4Low66Low84 Ų84108 Ų10859%0.58759%0.585SS**Hα-helixtrans-68.6-33.2179.754.20000112.9L8S4-L8 WeakPolarHBondContact O-CB 3.28Å; S4-L8 PolarHBondContact O-N 3.28Å
5S65.1Low66Low63 Ų63107.3 Ų107.344%0.44158%0.581SS.*Hα-helixtrans-70.8-34.9174.445.50000112N2 N3 L8 V9N2-S5 PolarHBondContact O-OG 2.9Å; N3-S5 PolarHBondContact O-N 3.07Å; S5-L8 PolarHBondContact O-N 2.89Å; S5-V9 WeakPolarHBondContact O-CB 3.29Å; S5-V9 WeakPolarHBondContact O-CG2 3.32Å; S5-V9 PolarHBondContact O-N 3.06Å
6L69.2Low65.8Low109 Ų109107.9 Ų107.957%0.57158%0.578SS**Hα-helixtrans-72.1-39.3-178.4-141.5145.5000112.3N2 N3 N10N2-L6 PolarHBondContact O-N 3.49Å; N3-L6 PolarHBondContact O-N 2.64Å; L6-N10 WeakPolarHBondContact O-CB 3.5Å; L6-N10 PolarHBondContact O-N 3.14Å
7E69Low65.6Low138 Ų138106.8 Ų106.865%0.64557%0.572SS**Hα-helixtrans-66.5-40.3172-72.8-179171.900112.2N3 N10 T11N3-E7 PolarHBondContact O-N 3.18Å; N3-E7 VanDerWaalsContact O-N 3.16Å; E7-N10 PolarHBondContact O-N 3.4Å; E7-T11 WeakPolarHBondContact O-CB 3.26Å; E7-T11 PolarHBondContact O-N 2.67Å; E7-T11 PolarHBondContact O-OG1 3Å
8L71Confident65.5Low120 Ų120106.3 Ų106.363%0.62857%0.569SS**Hα-helixtrans-66.6-40178-154.3141000110.9S4 S5 T11 T12S4-L8 WeakPolarHBondContact O-CB 3.28Å; S4-L8 PolarHBondContact O-N 3.28Å; S5-L8 PolarHBondContact O-N 2.89Å; L8-T11 PolarHBondContact O-N 2.68Å; L8-T12 HydrophobicContact CD2-CG2 4.27Å; L8-T12 VanDerWaalsContact O-CG2 3.3Å; L8-T12 WeakPolarHBondContact O-CG2 3.42Å; L8-T12 PolarHBondContact O-N 2.87Å; L8-T12 PolarHBondContact O-OG1 2.86Å
9V70.6Confident65.4Low87 Ų87103.8 Ų103.853%0.52756%0.558SS.*Hα-helixtrans-61.9-49.1172.3170.50000111.2S5 T11 T12 H13S5-V9 WeakPolarHBondContact O-CB 3.29Å; S5-V9 WeakPolarHBondContact O-CG2 3.32Å; S5-V9 PolarHBondContact O-N 3.06Å; V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.26Å; V9-T12 WeakPolarHBondContact CA-OG1 3.35Å; V9-T12 PolarHBondContact O-N 2.96Å; V9-T12 PolarHBondContact O-OG1 3.42Å; V9-H13 WeakPolarHBondContact O-CB 3.49Å; V9-H13 PolarHBondContact O-N 2.83Å
10N72.3Confident65.2Low91 Ų91100.7 Ų100.749%0.48754%0.543SS..Hα-helixtrans-60.3-41.3177-88.3-4.7000112.6L6 E7 H13 I14L6-N10 WeakPolarHBondContact O-CB 3.5Å; L6-N10 PolarHBondContact O-N 3.14Å; E7-N10 PolarHBondContact O-N 3.4Å; N10-H13 PolarHBondContact O-N 2.85Å; N10-I14 WeakPolarHBondContact O-CB 3.5Å; N10-I14 WeakPolarHBondContact O-CD1 3.34Å; N10-I14 VanDerWaalsContact O-CG1 3.22Å; N10-I14 WeakPolarHBondContact O-CG1 3.48Å; N10-I14 PolarHBondContact O-N 3.15Å
11T71.2Confident65Low78 Ų7899.1 Ų99.148%0.47954%0.54SS..Hα-helixtrans-65.5-43.3178.1-52.70000110.8E7 L8 V9 H13 I14 L15E7-T11 WeakPolarHBondContact O-CB 3.26Å; E7-T11 PolarHBondContact O-N 2.67Å; E7-T11 PolarHBondContact O-OG1 3Å; L8-T11 PolarHBondContact O-N 2.68Å; V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.26Å; T11-H13 VanDerWaalsContact C-N 3.33Å; T11-H13 PolarHBondContact O-N 3.18Å; T11-I14 PolarHBondContact O-N 3.25Å; T11-L15 HydrophobicContact CG2-CD1 4.09Å; T11-L15 HydrophobicContact CG2-CG 4.45Å; T11-L15 WeakPolarHBondContact O-CB 3.36Å; T11-L15 VanDerWaalsContact O-CG 3.29Å; T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 2.67Å
12T69.3Low65.6Low64 Ų6495.1 Ų95.139%0.39352%0.518SS..Hα-helixtrans-62.5-39.3174.855.60000112.2L8 V9 L15 Q16L8-T12 HydrophobicContact CD2-CG2 4.27Å; L8-T12 VanDerWaalsContact O-CG2 3.3Å; L8-T12 WeakPolarHBondContact O-CG2 3.42Å; L8-T12 PolarHBondContact O-N 2.87Å; L8-T12 PolarHBondContact O-OG1 2.86Å; V9-T12 WeakPolarHBondContact CA-OG1 3.35Å; V9-T12 PolarHBondContact O-N 2.96Å; V9-T12 PolarHBondContact O-OG1 3.42Å; T12-L15 PolarHBondContact O-N 3.47Å; T12-Q16 VanDerWaalsContact O-CB 3.28Å; T12-Q16 WeakPolarHBondContact O-CB 3.26Å; T12-Q16 VanDerWaalsContact O-CG 3.28Å; T12-Q16 WeakPolarHBondContact O-CG 3.15Å; T12-Q16 PolarHBondContact O-N 3.44Å
13H62.9Low65.6Low103 Ų10395.3 Ų95.348%0.47751%0.513SS..Hα-helixtrans-69.4-38178.6-163.2-81.8000112.1V9 N10 T11 N17V9-H13 WeakPolarHBondContact O-CB 3.49Å; V9-H13 PolarHBondContact O-N 2.83Å; N10-H13 PolarHBondContact O-N 2.85Å; T11-H13 VanDerWaalsContact C-N 3.33Å; T11-H13 PolarHBondContact O-N 3.18Å; H13-N17 PolarHBondContact CE1-ND2 3.23Å; H13-N17 PolarHBondContact ND1-ND2 2.73Å; H13-N17 WeakPolarHBondContact O-CB 3.32Å; H13-N17 VanDerWaalsContact O-CG 3.24Å; H13-N17 PolarHBondContact O-N 2.95Å
14I68.5Low65.8Low99 Ų9990 Ų9051%0.50848%0.484SS..Hα-helixtrans-67.4-45.8174.7-67.8164.2000110.5N10 T11 Q16 N17 L18N10-I14 WeakPolarHBondContact O-CB 3.5Å; N10-I14 WeakPolarHBondContact O-CD1 3.34Å; N10-I14 VanDerWaalsContact O-CG1 3.22Å; N10-I14 WeakPolarHBondContact O-CG1 3.48Å; N10-I14 PolarHBondContact O-N 3.15Å; T11-I14 PolarHBondContact O-N 3.25Å; I14-Q16 VanDerWaalsContact C-N 3.33Å; I14-Q16 PolarHBondContact O-N 3.42Å; I14-N17 PolarHBondContact O-N 2.88Å; I14-L18 HydrophobicContact CG2-CD1 3.87Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 3.42Å
15L65.8Low66Low98 Ų9891.9 Ų91.951%0.51349%0.486SS..Hα-helixtrans-63.3-39.9176.4-71.6173.6000111.6T11 T12 L18 T19T11-L15 HydrophobicContact CG2-CD1 4.09Å; T11-L15 HydrophobicContact CG2-CG 4.45Å; T11-L15 WeakPolarHBondContact O-CB 3.36Å; T11-L15 VanDerWaalsContact O-CG 3.29Å; T11-L15 WeakPolarHBondContact O-CG 3.35Å; T11-L15 PolarHBondContact O-N 2.67Å; T12-L15 PolarHBondContact O-N 3.47Å; L15-L18 PolarHBondContact O-N 3.45Å; L15-T19 WeakPolarHBondContact O-CB 3.2Å; L15-T19 VanDerWaalsContact O-CG2 3.24Å; L15-T19 WeakPolarHBondContact O-CG2 3.5Å; L15-T19 PolarHBondContact O-N 3.24Å; L15-T19 PolarHBondContact O-OG1 2.83Å
16Q63.2Low66.4Low117 Ų11793.7 Ų93.755%0.54749%0.486SS..Hα-helixtrans-61.3-47.1172.2-81.3176.5-19.500111T12 I14 L18 T19 T20T12-Q16 VanDerWaalsContact O-CB 3.28Å; T12-Q16 WeakPolarHBondContact O-CB 3.26Å; T12-Q16 VanDerWaalsContact O-CG 3.28Å; T12-Q16 WeakPolarHBondContact O-CG 3.15Å; T12-Q16 PolarHBondContact O-N 3.44Å; I14-Q16 VanDerWaalsContact C-N 3.33Å; I14-Q16 PolarHBondContact O-N 3.42Å; Q16-L18 PolarHBondContact O-N 3.3Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.38Å; Q16-T19 PolarHBondContact O-N 3.35Å; Q16-T19 PolarHBondContact O-OG1 3.37Å; Q16-T20 WeakPolarHBondContact O-CB 3.48Å; Q16-T20 PolarHBondContact O-N 3.19Å; Q16-T20 PolarHBondContact O-OG1 3.35Å
17N61.9Low66.3Low89 Ų8988.6 Ų88.648%0.47646%0.46SS..Hα-helixtrans-63.2-40.4177.6-75.8-9.7000112.7H13 I14 S21H13-N17 PolarHBondContact CE1-ND2 3.23Å; H13-N17 PolarHBondContact ND1-ND2 2.73Å; H13-N17 WeakPolarHBondContact O-CB 3.32Å; H13-N17 VanDerWaalsContact O-CG 3.24Å; H13-N17 PolarHBondContact O-N 2.95Å; I14-N17 PolarHBondContact O-N 2.88Å; N17-S21 VanDerWaalsContact O-CB 3.28Å; N17-S21 WeakPolarHBondContact O-CB 3.09Å; N17-S21 PolarHBondContact O-N 2.82Å
18L63.6Low66.5Low97 Ų9783.8 Ų83.851%0.50844%0.44SS..Hα-helixtrans-64.8-51.9176.3-72.9169.5000111.2I14 L15 Q16 T20 S21 E22I14-L18 HydrophobicContact CG2-CD1 3.87Å; I14-L18 HydrophobicContact CG2-CG 4.33Å; I14-L18 WeakPolarHBondContact O-CB 3.43Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.5Å; I14-L18 PolarHBondContact O-N 3.42Å; L15-L18 PolarHBondContact O-N 3.45Å; Q16-L18 PolarHBondContact O-N 3.3Å; L18-T20 PolarHBondContact O-N 3.47Å; L18-S21 CarbonylContact O-C 3.24Å; L18-S21 WeakPolarHBondContact O-CB 3.42Å; L18-S21 PolarHBondContact O-N 2.89Å; L18-S21 VanDerWaalsContact O-N 3.16Å; L18-E22 WeakPolarHBondContact O-CG 3.31Å; L18-E22 PolarHBondContact O-N 2.92Å
19T63.7Low67Low59 Ų5979 Ų7936%0.36242%0.417SS..Hα-helixtrans-62.9-33.9178.154.30000112.3L15 Q16 E22 K23L15-T19 WeakPolarHBondContact O-CB 3.2Å; L15-T19 VanDerWaalsContact O-CG2 3.24Å; L15-T19 WeakPolarHBondContact O-CG2 3.5Å; L15-T19 PolarHBondContact O-N 3.24Å; L15-T19 PolarHBondContact O-OG1 2.83Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.38Å; Q16-T19 PolarHBondContact O-N 3.35Å; Q16-T19 PolarHBondContact O-OG1 3.37Å; T19-E22 PolarHBondContact O-N 3.48Å; T19-K23 WeakPolarHBondContact O-CB 3.09Å; T19-K23 VanDerWaalsContact O-CG 3.28Å; T19-K23 WeakPolarHBondContact O-CG 3.36Å; T19-K23 PolarHBondContact O-N 3.32Å
20T61.8Low67.6Low41 Ų4177.9 Ų77.925%0.25242%0.417SS..Hα-helixtrans-67.7-46.6174.9-63.90000110.2Q16 L18 E22 K23 Y24Q16-T20 WeakPolarHBondContact O-CB 3.48Å; Q16-T20 PolarHBondContact O-N 3.19Å; Q16-T20 PolarHBondContact O-OG1 3.35Å; L18-T20 PolarHBondContact O-N 3.47Å; T20-E22 VanDerWaalsContact C-N 3.33Å; T20-E22 PolarHBondContact O-N 3.33Å; T20-K23 PolarHBondContact O-N 3.16Å; T20-Y24 HydrophobicContact CG2-CD2 3.77Å; T20-Y24 HydrophobicContact CG2-CE2 3.03Å; T20-Y24 WeakPolarHBondContact O-CD2 3.19Å; T20-Y24 VanDerWaalsContact O-CG 3.26Å; T20-Y24 PolarHBondContact O-N 3.33Å; T20-Y24 VanDerWaalsContact O-N 3.08Å
21S60.1Low68.4Low69 Ų6981.6 Ų81.648%0.48343%0.425SS..Hα-helixtrans-59.9-39.9173-170.70000112.6N17 L18 Y24 L25N17-S21 VanDerWaalsContact O-CB 3.28Å; N17-S21 WeakPolarHBondContact O-CB 3.09Å; N17-S21 PolarHBondContact O-N 2.82Å; L18-S21 CarbonylContact O-C 3.24Å; L18-S21 WeakPolarHBondContact O-CB 3.42Å; L18-S21 PolarHBondContact O-N 2.89Å; L18-S21 VanDerWaalsContact O-N 3.16Å; S21-Y24 PolarHBondContact O-N 2.65Å; S21-L25 WeakPolarHBondContact O-CB 3.25Å; S21-L25 PolarHBondContact O-N 2.97Å
22E63.6Low69.1Low132 Ų13277.9 Ų77.962%0.61740%0.402SS*.Hα-helixtrans-66.4-44.8177.3-74.2175.7155.800112.1L18 T19 T20 Y24 L25 F26L18-E22 WeakPolarHBondContact O-CG 3.31Å; L18-E22 PolarHBondContact O-N 2.92Å; T19-E22 PolarHBondContact O-N 3.48Å; T20-E22 VanDerWaalsContact C-N 3.33Å; T20-E22 PolarHBondContact O-N 3.33Å; E22-Y24 VanDerWaalsContact C-N 3.3Å; E22-Y24 PolarHBondContact O-N 2.85Å; E22-L25 PolarHBondContact O-N 3.28Å; E22-F26 PolarHBondContact O-N 3.46Å
23K61.3Low70Confident132 Ų13276.6 Ų76.657%0.57439%0.392SS*.Hα-helixtrans-56.6-45.5174.4-75.8172.1-177.7178.10110.8T19 T20 F26 A27 Y277T19-K23 WeakPolarHBondContact O-CB 3.09Å; T19-K23 VanDerWaalsContact O-CG 3.28Å; T19-K23 WeakPolarHBondContact O-CG 3.36Å; T19-K23 PolarHBondContact O-N 3.32Å; T20-K23 PolarHBondContact O-N 3.16Å; K23-F26 WeakPolarHBondContact O-CB 3.45Å; K23-F26 PolarHBondContact O-N 3.17Å; K23-A27 PolarHBondContact O-N 3.31Å; K23-A27 VanDerWaalsContact O-N 3.15Å; K23-Y277 VanDerWaalsContact C-OH 3.26Å; K23-Y277 PolarHBondContact O-OH 2.88Å
24Y63.5Low71.4Confident21 Ų2176.2 Ų76.28%0.08239%0.392CS..Hα-helixtrans-71.6-34.5-179.4-61.2-45000113.8T20 S21 E22 F26 A27 T28 N263 T265 I273T20-Y24 HydrophobicContact CG2-CD2 3.77Å; T20-Y24 HydrophobicContact CG2-CE2 3.03Å; T20-Y24 WeakPolarHBondContact O-CD2 3.19Å; T20-Y24 VanDerWaalsContact O-CG 3.26Å; T20-Y24 PolarHBondContact O-N 3.33Å; T20-Y24 VanDerWaalsContact O-N 3.08Å; S21-Y24 PolarHBondContact O-N 2.65Å; E22-Y24 VanDerWaalsContact C-N 3.3Å; E22-Y24 PolarHBondContact O-N 2.85Å; Y24-F26 VanDerWaalsContact C-N 3.27Å; Y24-F26 PolarHBondContact O-N 3.45Å; Y24-A27 PolarHBondContact O-N 3.42Å; Y24-T28 PolarHBondContact O-N 2.99Å; Y24-T28 VanDerWaalsContact O-N 3.14Å; Y24-T28 PolarHBondContact O-OG1 2.88Å; Y24-N263 PolarHBondContact OH-N 3.29Å; Y24-N263 PolarHBondContact OH-O 3.04Å; Y24-T265 HydrophobicContact CD2-CG2 4.02Å; Y24-T265 HydrophobicContact CE2-CG2 4.25Å; Y24-T265 WeakPolarHBondContact CE2-OG1 3.19Å; Y24-I273 HydrophobicContact CD1-CD1 4Å; Y24-I273 HydrophobicContact CD1-CG2 3.88Å; Y24-I273 HydrophobicContact CE1-CD1 3.99Å; Y24-I273 HydrophobicContact CE1-CG2 3.82Å
25L69.1Low72.5Confident123 Ų12374.6 Ų74.664%0.64438%0.384SS*.Hα-helixtrans-61.9-38.8172.1-174.369.6000110.5S21 E22 T28 S29S21-L25 WeakPolarHBondContact O-CB 3.25Å; S21-L25 PolarHBondContact O-N 2.97Å; E22-L25 PolarHBondContact O-N 3.28Å; L25-T28 PolarHBondContact O-OG1 3.39Å; L25-S29 WeakPolarHBondContact O-CA 3.32Å; L25-S29 VanDerWaalsContact O-CB 3.24Å; L25-S29 WeakPolarHBondContact O-CB 3.26Å; L25-S29 PolarHBondContact O-N 2.93Å
26F72.6Confident73.8Confident100 Ų10070 Ų7044%0.43936%0.359SS..Hα-helixtrans-65.7-44.8175.7-178.1-98.1000112.3E22 K23 Y24 T28 S29E22-F26 PolarHBondContact O-N 3.46Å; K23-F26 WeakPolarHBondContact O-CB 3.45Å; K23-F26 PolarHBondContact O-N 3.17Å; Y24-F26 VanDerWaalsContact C-N 3.27Å; Y24-F26 PolarHBondContact O-N 3.45Å; F26-T28 VanDerWaalsContact C-N 3.27Å; F26-T28 PolarHBondContact O-N 3.34Å; F26-S29 WeakPolarHBondContact O-CB 3.26Å; F26-S29 PolarHBondContact O-N 3.28Å; F26-S29 VanDerWaalsContact O-N 3.1Å; F26-S29 PolarHBondContact O-OG 3.21Å
27A68.3Low75.3Confident2 Ų266.2 Ų66.22%0.01735%0.346CS..Hα-helixtrans-59.3-39.1179.700000112.9K23 Y24 I276 Y277K23-A27 PolarHBondContact O-N 3.31Å; K23-A27 VanDerWaalsContact O-N 3.15Å; Y24-A27 PolarHBondContact O-N 3.42Å; A27-I276 HydrophobicContact CB-CG2 4.23Å; A27-Y277 HydrophobicContact CB-CE1 3.91Å; A27-Y277 HydrophobicContact CB-CE2 3.96Å
28T71.9Confident76.9Confident38 Ų3867.1 Ų67.123%0.23335%0.35CS..Hα-helixtrans-89.4-4179.553.70000113.2Y24 L25 F26 Y268Y24-T28 PolarHBondContact O-N 2.99Å; Y24-T28 VanDerWaalsContact O-N 3.14Å; Y24-T28 PolarHBondContact O-OG1 2.88Å; L25-T28 PolarHBondContact O-OG1 3.39Å; F26-T28 VanDerWaalsContact C-N 3.27Å; F26-T28 PolarHBondContact O-N 3.34Å; T28-Y268 HydrophobicContact CG2-CD1 4.31Å; T28-Y268 HydrophobicContact CG2-CD2 4.47Å; T28-Y268 HydrophobicContact CG2-CE1 3.79Å; T28-Y268 HydrophobicContact CG2-CE2 3.93Å
29S81.8Confident78.4Confident20 Ų2063.7 Ų63.714%0.1433%0.334CS..SBendtrans-69.1155.1-177.472.40000112.9L25 F26 Y31 A32L25-S29 WeakPolarHBondContact O-CA 3.32Å; L25-S29 VanDerWaalsContact O-CB 3.24Å; L25-S29 WeakPolarHBondContact O-CB 3.26Å; L25-S29 PolarHBondContact O-N 2.93Å; F26-S29 WeakPolarHBondContact O-CB 3.26Å; F26-S29 PolarHBondContact O-N 3.28Å; F26-S29 VanDerWaalsContact O-N 3.1Å; F26-S29 PolarHBondContact O-OG 3.21Å; S29-Y31 PolarHBondContact O-N 3.37Å; S29-Y31 VanDerWaalsContact O-N 3.17Å; S29-Y31 PolarHBondContact OG-N 2.87Å; S29-A32 PolarHBondContact O-N 3.36Å; S29-A32 PolarHBondContact OG-N 3.01Å
30A84.3Confident79.9Confident63 Ų6361.2 Ų61.252%0.52132%0.319SS..Hα-helixtrans-57-27.3169.500000112.5Q33 I34A30-Q33 PolarHBondContact O-N 2.96Å; A30-I34 WeakPolarHBondContact O-CD1 3.26Å; A30-I34 VanDerWaalsContact O-CG1 3.23Å; A30-I34 WeakPolarHBondContact O-CG1 3.46Å; A30-I34 PolarHBondContact O-N 3.44Å
31Y87.1Confident81.5Confident168 Ų16864.2 Ų64.266%0.65933%0.333SS*.Hα-helixtrans-64.2-44.4178.6-59.8-74.2000112.4S29 Q33 I34 I35S29-Y31 PolarHBondContact O-N 3.37Å; S29-Y31 VanDerWaalsContact O-N 3.17Å; S29-Y31 PolarHBondContact OG-N 2.87Å; Y31-Q33 VanDerWaalsContact C-N 3.3Å; Y31-Q33 PolarHBondContact O-N 2.82Å; Y31-I34 PolarHBondContact O-N 3.41Å; Y31-I35 WeakPolarHBondContact O-CB 3.46Å; Y31-I35 VanDerWaalsContact O-CG1 3.27Å; Y31-I35 WeakPolarHBondContact O-CG1 3.34Å; Y31-I35 PolarHBondContact O-N 3.12Å
32A86.9Confident83.2Confident0 Ų065.2 Ų65.20%033%0.333CS..Hα-helixtrans-61.4-40.4178.600000111.6S29 I35 A36 L280S29-A32 PolarHBondContact O-N 3.36Å; S29-A32 PolarHBondContact OG-N 3.01Å; A32-I35 PolarHBondContact O-N 3.49Å; A32-A36 WeakPolarHBondContact O-CB 3.35Å; A32-A36 PolarHBondContact O-N 2.9Å; A32-L280 HydrophobicContact CB-CD2 4.36Å
33Q89.1Confident84.8Confident38 Ų3859 Ų5918%0.17830%0.304CS..Hα-helixtrans-65.1-44.4176.1-62.3179.838.600112.4A30 Y31 A36 C37 V85 I89 H90A30-Q33 PolarHBondContact O-N 2.96Å; Y31-Q33 VanDerWaalsContact C-N 3.3Å; Y31-Q33 PolarHBondContact O-N 2.82Å; Q33-A36 PolarHBondContact O-N 3.15Å; Q33-C37 VanDerWaalsContact O-CB 3.25Å; Q33-C37 WeakPolarHBondContact O-CB 3.36Å; Q33-C37 PolarHBondContact O-N 3.14Å; Q33-V85 HydrophobicContact CG-CG1 4.48Å; Q33-I89 HydrophobicContact CG-CD1 3.43Å; Q33-I89 VanDerWaalsContact CG-CD1 3.43Å; Q33-H90 PolarHBondContact OE1-CE1 2.9Å; Q33-H90 VanDerWaalsContact OE1-CE1 3.28Å
34I91.8Very high86.4Confident94 Ų9453.4 Ų53.448%0.48228%0.281SS..Hα-helixtrans-63-45.2178.2-68.6164.4000110.2A30 Y31 C37 L38A30-I34 WeakPolarHBondContact O-CD1 3.26Å; A30-I34 VanDerWaalsContact O-CG1 3.23Å; A30-I34 WeakPolarHBondContact O-CG1 3.46Å; A30-I34 PolarHBondContact O-N 3.44Å; Y31-I34 PolarHBondContact O-N 3.41Å; I34-C37 PolarHBondContact O-N 3.3Å; I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.31Å; I34-L38 WeakPolarHBondContact O-CB 3.45Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.19Å; I34-L38 PolarHBondContact O-N 3.15Å
35I91.7Very high88Confident66 Ų6657 Ų5734%0.33831%0.305SS..Hα-helixtrans-61.4-49.8177.7-68.4165.8000110.3Y31 A32 C37 L38 C39 L280Y31-I35 WeakPolarHBondContact O-CB 3.46Å; Y31-I35 VanDerWaalsContact O-CG1 3.27Å; Y31-I35 WeakPolarHBondContact O-CG1 3.34Å; Y31-I35 PolarHBondContact O-N 3.12Å; A32-I35 PolarHBondContact O-N 3.49Å; I35-C37 VanDerWaalsContact C-N 3.32Å; I35-C37 PolarHBondContact O-N 3.24Å; I35-L38 PolarHBondContact O-N 2.89Å; I35-C39 WeakPolarHBondContact O-CB 3.48Å; I35-C39 PolarHBondContact O-N 2.92Å; I35-C39 PolarHBondContact O-SG 3.37Å; I35-C39 VanDerWaalsContact O-SG 3.35Å; I35-L280 HydrophobicContact CG2-CD1 4.32Å
36A92.5Very high89.2Confident0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-57.5-44.9177.600000111.8A32 Q33 C39 A40 L280 C283A32-A36 WeakPolarHBondContact O-CB 3.35Å; A32-A36 PolarHBondContact O-N 2.9Å; Q33-A36 PolarHBondContact O-N 3.15Å; A36-C39 PolarHBondContact O-N 2.95Å; A36-A40 WeakPolarHBondContact O-CB 3.22Å; A36-A40 PolarHBondContact O-N 3.32Å; A36-L280 HydrophobicContact CB-CD1 3.95Å; A36-C283 HydrophobicContact CB-CB 4.47Å
37C94.1Very high90.3Very high39 Ų3947.8 Ų47.826%0.26426%0.261SS..Hα-helixtrans-61-50.9177.6-173.90000112Q33 I34 I35 C39 A40 L41 F82Q33-C37 VanDerWaalsContact O-CB 3.25Å; Q33-C37 WeakPolarHBondContact O-CB 3.36Å; Q33-C37 PolarHBondContact O-N 3.14Å; I34-C37 PolarHBondContact O-N 3.3Å; I35-C37 VanDerWaalsContact C-N 3.32Å; I35-C37 PolarHBondContact O-N 3.24Å; C37-C39 PolarHBondContact O-N 3.26Å; C37-A40 PolarHBondContact O-N 3.26Å; C37-L41 WeakPolarHBondContact O-CB 3.44Å; C37-L41 VanDerWaalsContact O-CG 3.31Å; C37-L41 WeakPolarHBondContact O-CG 3.39Å; C37-L41 PolarHBondContact O-N 2.69Å; C37-F82 HydrophobicContact CB-CD2 4.18Å; C37-F82 HydrophobicContact CB-CE2 3.61Å; C37-F82 HydrophobicContact CB-CZ 4.3Å
38L95.8Very high91.6Very high108 Ų10853 Ų5357%0.56528%0.283SS*.Hα-helixtrans-61.6-43.6179.9-71.3175.2000111.6I34 I35 L42I34-L38 HydrophobicContact CG2-CD1 3.86Å; I34-L38 HydrophobicContact CG2-CG 4.31Å; I34-L38 WeakPolarHBondContact O-CB 3.45Å; I34-L38 VanDerWaalsContact O-CG 3.29Å; I34-L38 WeakPolarHBondContact O-CG 3.19Å; I34-L38 PolarHBondContact O-N 3.15Å; I35-L38 PolarHBondContact O-N 2.89Å; L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 PolarHBondContact O-N 3.17Å
39C95.2Very high92.6Very high24 Ų2454.8 Ų54.816%0.16229%0.289CS..Hα-helixtrans-64.1-44.9176.7-730000112.2I35 A36 C37 L42 S43 C283 V287I35-C39 WeakPolarHBondContact O-CB 3.48Å; I35-C39 PolarHBondContact O-N 2.92Å; I35-C39 PolarHBondContact O-SG 3.37Å; I35-C39 VanDerWaalsContact O-SG 3.35Å; A36-C39 PolarHBondContact O-N 2.95Å; C37-C39 PolarHBondContact O-N 3.26Å; C39-L42 PolarHBondContact O-N 3.26Å; C39-S43 WeakPolarHBondContact O-CB 3.4Å; C39-S43 PolarHBondContact O-N 3.05Å; C39-S43 PolarHBondContact O-OG 3.41Å; C39-S43 VanDerWaalsContact O-OG 3.04Å; C39-C283 HydrophobicContact CB-CB 4.1Å; C39-C283 WeakPolarHBondContact CB-O 3.38Å; C39-V287 HydrophobicContact CB-CG2 3.82Å; C39-V287 WeakPolarHBondContact O-CG2 3.45Å
40A95Very high93.1Very high7 Ų753.9 Ų53.96%0.05828%0.283CS..Hα-helixtrans-64.9-41.7178.300000112.4A36 C37 S43 S44 A78 F82A36-A40 WeakPolarHBondContact O-CB 3.22Å; A36-A40 PolarHBondContact O-N 3.32Å; C37-A40 PolarHBondContact O-N 3.26Å; A40-S43 PolarHBondContact O-OG 3.43Å; A40-S43 VanDerWaalsContact O-OG 3.09Å; A40-S44 VanDerWaalsContact O-CB 3.23Å; A40-S44 WeakPolarHBondContact O-CB 3.46Å; A40-S44 PolarHBondContact O-N 3.15Å; A40-S44 VanDerWaalsContact O-N 3.09Å; A40-S44 PolarHBondContact O-OG 3.4Å; A40-A78 HydrophobicContact CB-CB 4.05Å; A40-F82 HydrophobicContact CB-CB 4.14Å
41L96.2Very high93.5Very high104 Ų10451.8 Ų51.855%0.54526%0.262SS..Hα-helixtrans-65.9-45.6175.6-73.7174.5000111.4C37 S44 V45C37-L41 WeakPolarHBondContact O-CB 3.44Å; C37-L41 VanDerWaalsContact O-CG 3.31Å; C37-L41 WeakPolarHBondContact O-CG 3.39Å; C37-L41 PolarHBondContact O-N 2.69Å; L41-S44 PolarHBondContact O-N 3.45Å; L41-V45 WeakPolarHBondContact O-CB 2.93Å; L41-V45 VanDerWaalsContact O-CG2 3.26Å; L41-V45 WeakPolarHBondContact O-CG2 3.3Å; L41-V45 PolarHBondContact O-N 3.3Å
42L96.6Very high93.6Very high91 Ų9149.4 Ų49.448%0.47625%0.253SS..Hα-helixtrans-62.7-48.5-179.2-178.861.6000111.8L38 C39 S44 V45 I46 V287L38-L42 WeakPolarHBondContact O-CB 3.41Å; L38-L42 PolarHBondContact O-N 3.17Å; C39-L42 PolarHBondContact O-N 3.26Å; L42-S44 VanDerWaalsContact C-N 3.33Å; L42-S44 PolarHBondContact O-N 3.14Å; L42-V45 PolarHBondContact O-N 2.89Å; L42-I46 HydrophobicContact CD1-CD1 4.01Å; L42-I46 HydrophobicContact CD1-CG1 4.39Å; L42-I46 HydrophobicContact CG-CD1 3.95Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.05Å; L42-I46 PolarHBondContact O-N 3.35Å; L42-V287 HydrophobicContact CD2-CG1 3.9Å; L42-V287 HydrophobicContact CD2-CG2 4.47Å; L42-V287 HydrophobicContact CG-CG1 4.48Å
43S96Very high93.8Very high0 Ų051.7 Ų51.70%026%0.263CS..Hα-helixtrans-63.2-39.6178.562.90000112C39 A40 T47 L286C39-S43 WeakPolarHBondContact O-CB 3.4Å; C39-S43 PolarHBondContact O-N 3.05Å; C39-S43 PolarHBondContact O-OG 3.41Å; C39-S43 VanDerWaalsContact O-OG 3.04Å; A40-S43 PolarHBondContact O-OG 3.43Å; A40-S43 VanDerWaalsContact O-OG 3.09Å; S43-T47 WeakPolarHBondContact O-CB 2.9Å; S43-T47 PolarHBondContact O-N 3.11Å; S43-T47 PolarHBondContact O-OG1 2.94Å; S43-L286 WeakPolarHBondContact CB-O 3.3Å
44S95.7Very high93.7Very high15 Ų1549.9 Ų49.911%0.10525%0.254CS..Hα-helixtrans-63.5-48.1175.3-62.80000111.7A40 L41 L42 I46 T47 F48 A78A40-S44 VanDerWaalsContact O-CB 3.23Å; A40-S44 WeakPolarHBondContact O-CB 3.46Å; A40-S44 PolarHBondContact O-N 3.15Å; A40-S44 VanDerWaalsContact O-N 3.09Å; A40-S44 PolarHBondContact O-OG 3.4Å; L41-S44 PolarHBondContact O-N 3.45Å; L42-S44 VanDerWaalsContact C-N 3.33Å; L42-S44 PolarHBondContact O-N 3.14Å; S44-I46 PolarHBondContact O-N 2.86Å; S44-T47 PolarHBondContact O-N 3.32Å; S44-F48 WeakPolarHBondContact O-CB 3.5Å; S44-F48 WeakPolarHBondContact O-CD2 3.49Å; S44-F48 WeakPolarHBondContact O-CG 3.42Å; S44-F48 PolarHBondContact O-N 2.92Å; S44-A78 WeakPolarHBondContact OG-CB 3.26Å
45V96.4Very high93.4Very high96 Ų9646.3 Ų46.358%0.58224%0.236SC*.Hα-helixtrans-61.5-44.4179.3168.50000111.4L41 L42 T47 H49L41-V45 WeakPolarHBondContact O-CB 2.93Å; L41-V45 VanDerWaalsContact O-CG2 3.26Å; L41-V45 WeakPolarHBondContact O-CG2 3.3Å; L41-V45 PolarHBondContact O-N 3.3Å; L42-V45 PolarHBondContact O-N 2.89Å; V45-T47 VanDerWaalsContact C-N 3.3Å; V45-T47 PolarHBondContact O-N 3.5Å; V45-H49 VanDerWaalsContact O-CB 3.22Å; V45-H49 WeakPolarHBondContact O-CB 3.42Å; V45-H49 PolarHBondContact O-N 3.49Å
46I95.4Very high93.1Very high30 Ų3049.5 Ų49.515%0.15425%0.248CC..Hα-helixtrans-59.4-44.7176.9-68.8166.9000110.4L42 S44 Q50 I291L42-I46 HydrophobicContact CD1-CD1 4.01Å; L42-I46 HydrophobicContact CD1-CG1 4.39Å; L42-I46 HydrophobicContact CG-CD1 3.95Å; L42-I46 VanDerWaalsContact O-CG1 3.26Å; L42-I46 WeakPolarHBondContact O-CG1 3.05Å; L42-I46 PolarHBondContact O-N 3.35Å; S44-I46 PolarHBondContact O-N 2.86Å; I46-Q50 PolarHBondContact O-N 3.18Å; I46-I291 HydrophobicContact CD1-CG1 4.33Å
47T94.8Very high92.5Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-72.5-43.5-176.8-510000112.2S43 S44 V45 H49 Q50 M51 L71 V74 P75S43-T47 WeakPolarHBondContact O-CB 2.9Å; S43-T47 PolarHBondContact O-N 3.11Å; S43-T47 PolarHBondContact O-OG1 2.94Å; S44-T47 PolarHBondContact O-N 3.32Å; V45-T47 VanDerWaalsContact C-N 3.3Å; V45-T47 PolarHBondContact O-N 3.5Å; T47-H49 VanDerWaalsContact C-N 3.3Å; T47-H49 PolarHBondContact O-N 3.22Å; T47-Q50 WeakPolarHBondContact O-CB 3.3Å; T47-Q50 PolarHBondContact O-N 3.38Å; T47-Q50 VanDerWaalsContact O-N 3.11Å; T47-M51 HydrophobicContact CG2-SD 4.38Å; T47-M51 WeakPolarHBondContact O-CG 3.15Å; T47-M51 PolarHBondContact O-N 2.87Å; T47-L71 HydrophobicContact CG2-CB 3.96Å; T47-L71 HydrophobicContact CG2-CD2 4.37Å; T47-L71 WeakPolarHBondContact CG2-O 3.31Å; T47-V74 HydrophobicContact CG2-CB 4.3Å; T47-V74 WeakPolarHBondContact OG1-CG1 3.33Å; T47-P75 HydrophobicContact CG2-CG 3.96Å
48F94.9Very high91.9Very high111 Ų11151.3 Ų51.349%0.48725%0.252SS..Hα-helixtrans-61.7-39174.5-76.6-54.8000112.1S44 M51 Y52 P75S44-F48 WeakPolarHBondContact O-CB 3.5Å; S44-F48 WeakPolarHBondContact O-CD2 3.49Å; S44-F48 WeakPolarHBondContact O-CG 3.42Å; S44-F48 PolarHBondContact O-N 2.92Å; F48-M51 HydrophobicContact CD1-CE 4.45Å; F48-M51 HydrophobicContact CD1-SD 3.97Å; F48-M51 HydrophobicContact CE1-SD 4.35Å; F48-M51 PolarHBondContact O-N 2.99Å; F48-Y52 WeakPolarHBondContact O-CB 3.47Å; F48-Y52 PolarHBondContact O-N 2.97Å; F48-P75 HydrophobicContact CE1-CB 4.41Å; F48-P75 HydrophobicContact CE1-CG 4.29Å; F48-P75 HydrophobicContact CE2-CB 4.06Å; F48-P75 HydrophobicContact CE2-CG 4.26Å; F48-P75 HydrophobicContact CZ-CB 3.8Å; F48-P75 HydrophobicContact CZ-CG 4.07Å
49H94.1Very high91Very high76 Ų7649.3 Ų49.335%0.35224%0.244SC..Hα-helixtrans-59.4-46.9172.2174.7-76.6000110.9V45 T47 M51 Y52 F53 R294V45-H49 VanDerWaalsContact O-CB 3.22Å; V45-H49 WeakPolarHBondContact O-CB 3.42Å; V45-H49 PolarHBondContact O-N 3.49Å; T47-H49 VanDerWaalsContact C-N 3.3Å; T47-H49 PolarHBondContact O-N 3.22Å; H49-M51 PolarHBondContact O-N 3.17Å; H49-Y52 PolarHBondContact O-N 3.33Å; H49-F53 AromaticContact CD2-CE2 3.98Å; H49-F53 AromaticContact CE1-CD2 3.42Å; H49-F53 VanDerWaalsContact CE1-CD2 3.42Å; H49-F53 WeakPolarHBondContact CE1-CD2 3.44Å; H49-F53 AromaticContact CE1-CE2 3.15Å; H49-F53 WeakPolarHBondContact CE1-CE2 3.42Å; H49-F53 AromaticContact ND1-CD2 3.69Å; H49-F53 AromaticContact ND1-CE2 3.85Å; H49-F53 AromaticContact NE2-CD2 3.92Å; H49-F53 AromaticContact NE2-CE2 3.26Å; H49-F53 VanDerWaalsContact NE2-CE2 3.26Å; H49-F53 WeakPolarHBondContact NE2-CE2 3.45Å; H49-F53 WeakPolarHBondContact O-CD2 3.3Å; H49-F53 PolarHBondContact O-N 3.05Å; H49-F53 VanDerWaalsContact O-N 3.15Å; H49-R294 PolarHBondContact CE1-NH2 3.45Å
50Q92Very high90.4Very high2 Ų250 Ų501%0.00925%0.249CC..Hα-helixtrans-61.5-43.7176.3-175.2177.1-1.300112.5I46 T47 Y52 F53 H54 L71 L293 F297I46-Q50 PolarHBondContact O-N 3.18Å; T47-Q50 WeakPolarHBondContact O-CB 3.3Å; T47-Q50 PolarHBondContact O-N 3.38Å; T47-Q50 VanDerWaalsContact O-N 3.11Å; Q50-Y52 VanDerWaalsContact C-N 3.33Å; Q50-Y52 PolarHBondContact O-N 2.86Å; Q50-F53 PolarHBondContact O-N 3.44Å; Q50-H54 PolarHBondContact O-CD2 3.41Å; Q50-H54 VanDerWaalsContact O-CD2 3.32Å; Q50-H54 PolarHBondContact O-N 3.17Å; Q50-H54 VanDerWaalsContact O-N 3.17Å; Q50-L71 HydrophobicContact CB-CD1 4.49Å; Q50-L71 HydrophobicContact CG-CD1 3.89Å; Q50-L293 PolarHBondContact NE2-O 3.47Å; Q50-F297 PolarHBondContact NE2-O 2.95Å
51M91.5Very high89.8Confident19 Ų1952.9 Ų52.99%0.09427%0.265CS..Hα-helixtrans-58.9-44.2175.3-70.8169.96300111.5T47 F48 H49 F53 H54 L55 I68 L71 I72T47-M51 HydrophobicContact CG2-SD 4.38Å; T47-M51 WeakPolarHBondContact O-CG 3.15Å; T47-M51 PolarHBondContact O-N 2.87Å; F48-M51 HydrophobicContact CD1-CE 4.45Å; F48-M51 HydrophobicContact CD1-SD 3.97Å; F48-M51 HydrophobicContact CE1-SD 4.35Å; F48-M51 PolarHBondContact O-N 2.99Å; H49-M51 PolarHBondContact O-N 3.17Å; M51-F53 VanDerWaalsContact C-N 3.33Å; M51-F53 PolarHBondContact O-N 3.2Å; M51-H54 PolarHBondContact O-N 3.03Å; M51-L55 WeakPolarHBondContact O-CG 3.45Å; M51-L55 PolarHBondContact O-N 2.62Å; M51-I68 HydrophobicContact CE-CG2 3.96Å; M51-L71 HydrophobicContact CG-CB 3.85Å; M51-L71 HydrophobicContact CG-CD1 3.98Å; M51-L71 HydrophobicContact SD-CB 4.38Å; M51-I72 HydrophobicContact CE-CD1 4.15Å; M51-I72 HydrophobicContact CE-CG1 3.56Å; M51-I72 HydrophobicContact SD-CG1 4.15Å
52Y90.8Very high89.1Confident118 Ų11850.4 Ų50.446%0.46326%0.257SS..Hα-helixtrans-59.2-42.1177.5175.7-98.1000112.2F48 H49 Q50 H54 L55 K56 I402F48-Y52 WeakPolarHBondContact O-CB 3.47Å; F48-Y52 PolarHBondContact O-N 2.97Å; H49-Y52 PolarHBondContact O-N 3.33Å; Q50-Y52 VanDerWaalsContact C-N 3.33Å; Q50-Y52 PolarHBondContact O-N 2.86Å; Y52-H54 PolarHBondContact O-N 3.27Å; Y52-L55 PolarHBondContact O-N 2.9Å; Y52-K56 HydrophobicContact CE1-CD 4.23Å; Y52-K56 VanDerWaalsContact O-CB 3.32Å; Y52-K56 WeakPolarHBondContact O-CB 3.37Å; Y52-K56 PolarHBondContact O-N 3.39Å; Y52-I402 HydrophobicContact CE2-CD1 4.43Å
53F89.4Confident88.6Confident47 Ų4747.9 Ų47.921%0.20624%0.243CC..Hα-helixtrans-67-34.4177.5-88.4-82.4000113.6H49 Q50 M51 N57 Y299H49-F53 AromaticContact CD2-CE2 3.98Å; H49-F53 AromaticContact CE1-CD2 3.42Å; H49-F53 VanDerWaalsContact CE1-CD2 3.42Å; H49-F53 WeakPolarHBondContact CE1-CD2 3.44Å; H49-F53 AromaticContact CE1-CE2 3.15Å; H49-F53 WeakPolarHBondContact CE1-CE2 3.42Å; H49-F53 AromaticContact ND1-CD2 3.69Å; H49-F53 AromaticContact ND1-CE2 3.85Å; H49-F53 AromaticContact NE2-CD2 3.92Å; H49-F53 AromaticContact NE2-CE2 3.26Å; H49-F53 VanDerWaalsContact NE2-CE2 3.26Å; H49-F53 WeakPolarHBondContact NE2-CE2 3.45Å; H49-F53 WeakPolarHBondContact O-CD2 3.3Å; H49-F53 PolarHBondContact O-N 3.05Å; H49-F53 VanDerWaalsContact O-N 3.15Å; Q50-F53 PolarHBondContact O-N 3.44Å; M51-F53 VanDerWaalsContact C-N 3.33Å; M51-F53 PolarHBondContact O-N 3.2Å; F53-N57 PolarHBondContact O-N 3.39Å; F53-N57 PolarHBondContact O-ND2 3.21Å; F53-Y299 HydrophobicContact CB-CD1 3.85Å; F53-Y299 HydrophobicContact CB-CD2 4.03Å; F53-Y299 HydrophobicContact CB-CE1 4.31Å; F53-Y299 HydrophobicContact CB-CE2 4.48Å; F53-Y299 HydrophobicContact CB-CG 3.7Å; F53-Y299 AromaticContact CD1-CD2 3.91Å; F53-Y299 HydrophobicContact CD1-CD2 3.91Å; F53-Y299 HydrophobicContact CD1-CE1 4.32Å; F53-Y299 AromaticContact CD1-CE2 3.63Å; F53-Y299 HydrophobicContact CD1-CE2 3.63Å; F53-Y299 HydrophobicContact CD1-CG 4.37Å; F53-Y299 AromaticContact CD1-CZ 3.86Å; F53-Y299 HydrophobicContact CE1-CE2 4.18Å; F53-Y299 HydrophobicContact CG-CD1 4.22Å; F53-Y299 HydrophobicContact CG-CD2 4.26Å; F53-Y299 HydrophobicContact CG-CE1 4.17Å; F53-Y299 HydrophobicContact CG-CE2 4.22Å; F53-Y299 HydrophobicContact CG-CG 4.27Å
54H87.7Confident88.2Confident0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-68-43172-80.5-68.7000111.7Q50 M51 Y52 K56 N57 Y58 Q64 I68 F297 Y302Q50-H54 PolarHBondContact O-CD2 3.41Å; Q50-H54 VanDerWaalsContact O-CD2 3.32Å; Q50-H54 PolarHBondContact O-N 3.17Å; Q50-H54 VanDerWaalsContact O-N 3.17Å; M51-H54 PolarHBondContact O-N 3.03Å; Y52-H54 PolarHBondContact O-N 3.27Å; H54-K56 VanDerWaalsContact C-N 3.34Å; H54-K56 PolarHBondContact O-N 2.89Å; H54-N57 CarbonylContact O-C 3.56Å; H54-N57 VanDerWaalsContact O-C 3.24Å; H54-N57 PolarHBondContact O-N 2.79Å; H54-Y58 PolarHBondContact O-N 2.76Å; H54-Q64 PolarHBondContact O-NE2 2.8Å; H54-I68 HydrophobicContact CB-CD1 4.4Å; H54-I68 HydrophobicContact CB-CG1 4.26Å; H54-F297 PolarHBondContact NE2-O 3.17Å; H54-F297 VanDerWaalsContact NE2-O 3.15Å; H54-Y302 AromaticContact CE1-CD2 3.74Å; H54-Y302 AromaticContact CE1-CE2 3.77Å; H54-Y302 AromaticContact ND1-CD2 3.64Å; H54-Y302 AromaticContact ND1-CE2 3.92Å
55L86.5Confident87.8Confident20 Ų2048.2 Ų48.211%0.10524%0.242CC..Hα-helixtrans-67.2-33.2176.8-72.7168.4000112.9M51 Y52 I68 I402 I406M51-L55 WeakPolarHBondContact O-CG 3.45Å; M51-L55 PolarHBondContact O-N 2.62Å; Y52-L55 PolarHBondContact O-N 2.9Å; L55-I68 HydrophobicContact CD2-CD1 3.58Å; L55-I68 HydrophobicContact CG-CD1 3.83Å; L55-I402 HydrophobicContact CD1-CG2 4.12Å; L55-I406 HydrophobicContact CD1-CD1 3.97Å; L55-I406 HydrophobicContact CD1-CG1 3.79Å; L55-I406 HydrophobicContact CD2-CG1 4.18Å
56K83.8Confident87.5Confident132 Ų13243.7 Ų43.757%0.57421%0.214SC*.Hα-helixtrans-69.1-36176.3-175.5178.5176.5-176.60111.9Y52 H54Y52-K56 HydrophobicContact CE1-CD 4.23Å; Y52-K56 VanDerWaalsContact O-CB 3.32Å; Y52-K56 WeakPolarHBondContact O-CB 3.37Å; Y52-K56 PolarHBondContact O-N 3.39Å; H54-K56 VanDerWaalsContact C-N 3.34Å; H54-K56 PolarHBondContact O-N 2.89Å
57N81.3Confident87.2Confident35 Ų3542.3 Ų42.319%0.18721%0.207CC..THydrogen-bonded Turntrans-110.857.3179.6-53.3-69.7000109.7F53 H54 T59 Q64 V303F53-N57 PolarHBondContact O-N 3.39Å; F53-N57 PolarHBondContact O-ND2 3.21Å; H54-N57 CarbonylContact O-C 3.56Å; H54-N57 VanDerWaalsContact O-C 3.24Å; H54-N57 PolarHBondContact O-N 2.79Å; N57-T59 PolarHBondContact O-N 3.49Å; N57-T59 PolarHBondContact O-OG1 2.99Å; N57-Q64 PolarHBondContact O-NE2 2.82Å; N57-Q64 PolarHBondContact O-OE1 3.2Å; N57-V303 HydrophobicContact CB-CG2 4.27Å
58Y80Confident87.1Confident43 Ų4342.5 Ų42.517%0.16921%0.208CC..  trans-80.360.1-173.6-155.2-129.2000112.2H54 V61 Q64 I68 T409H54-Y58 PolarHBondContact O-N 2.76Å; Y58-V61 HydrophobicContact CD1-CG2 3.82Å; Y58-V61 HydrophobicContact CE1-CB 4.07Å; Y58-V61 HydrophobicContact CE1-CG1 3.76Å; Y58-V61 HydrophobicContact CE1-CG2 3.6Å; Y58-Q64 VanDerWaalsContact C-OE1 3.27Å; Y58-Q64 VanDerWaalsContact CA-OE1 3.26Å; Y58-Q64 HydrophobicContact CD2-CB 3.88Å; Y58-Q64 HydrophobicContact CE2-CB 3.62Å; Y58-I68 HydrophobicContact CE2-CD1 4.16Å; Y58-T409 PolarHBondContact OH-OG1 3.12Å
59T78.4Confident86.9Confident66 Ų6637.2 Ų37.241%0.40519%0.185SC..  trans-80-37.9-173.1-46.20000112.2N57 Y302 H305N57-T59 PolarHBondContact O-N 3.49Å; N57-T59 PolarHBondContact O-OG1 2.99Å; T59-Y302 PolarHBondContact OG1-O 2.84Å; T59-H305 HydrophobicContact CG2-CB 4.46Å; T59-H305 VanDerWaalsContact CG2-O 3.32Å; T59-H305 WeakPolarHBondContact CG2-O 3.28Å
60C81.5Confident86.8Confident38 Ų3833.7 Ų33.726%0.25717%0.168SC..  trans-122.781.4-175.9-65.90000110.1S62 E63 Q64 Y302C60-S62 VanDerWaalsContact C-N 3.28Å; C60-S62 PolarHBondContact O-N 3.12Å; C60-E63 PolarHBondContact O-N 3.46Å; C60-Q64 WeakPolarHBondContact O-CB 3.3Å; C60-Q64 WeakPolarHBondContact O-CG 3.44Å; C60-Q64 PolarHBondContact O-N 3.03Å; C60-Q64 PolarHBondContact O-OE1 3.48Å; C60-Y302 HydrophobicContact CB-CD1 4.04Å; C60-Y302 HydrophobicContact CB-CE1 3.91Å
61V83.3Confident86.8Confident67 Ų6733.6 Ų33.641%0.40617%0.168SC..Hα-helixtrans-55.5-40.2-175.2-178.80000112.5Y58 E63 R65Y58-V61 HydrophobicContact CD1-CG2 3.82Å; Y58-V61 HydrophobicContact CE1-CB 4.07Å; Y58-V61 HydrophobicContact CE1-CG1 3.76Å; Y58-V61 HydrophobicContact CE1-CG2 3.6Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 3.25Å; V61-R65 WeakPolarHBondContact O-CB 3.48Å; V61-R65 WeakPolarHBondContact O-CD 3.49Å; V61-R65 VanDerWaalsContact O-CG 3.26Å; V61-R65 WeakPolarHBondContact O-CG 3.32Å; V61-R65 PolarHBondContact O-N 3.11Å; V61-R65 VanDerWaalsContact O-N 3.14Å
62S80.8Confident86.9Confident52 Ų5234.9 Ų34.936%0.36418%0.175SC..Hα-helixtrans-60.6-37.8-177.653.40000113.2C60 R65 Y66C60-S62 VanDerWaalsContact C-N 3.28Å; C60-S62 PolarHBondContact O-N 3.12Å; S62-R65 WeakPolarHBondContact O-CG 3.11Å; S62-Y66 WeakPolarHBondContact O-CD2 3.33Å; S62-Y66 VanDerWaalsContact O-CE2 3.3Å; S62-Y66 WeakPolarHBondContact O-CE2 3.21Å
63E85.8Confident86.9Confident39 Ų3929.4 Ų29.418%0.18215%0.153CC..Hα-helixtrans-89.9-47.5178.6-61.4178.217900111.6C60 V61 R65 Y66 I67 L116 Q119 Y120 Y302C60-E63 PolarHBondContact O-N 3.46Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 3.25Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.69Å; E63-Y66 PolarHBondContact O-N 3.43Å; E63-Y66 VanDerWaalsContact O-N 3.09Å; E63-I67 PolarHBondContact O-N 3.49Å; E63-I67 VanDerWaalsContact O-N 3.14Å; E63-L116 HydrophobicContact CB-CD1 4.13Å; E63-L116 WeakPolarHBondContact O-CD1 3.35Å; E63-Q119 HydrophobicContact CG-CB 4.44Å; E63-Y120 HydrophobicContact CB-CE1 4.4Å; E63-Y120 HydrophobicContact CG-CD1 4.19Å; E63-Y120 HydrophobicContact CG-CE1 4.13Å; E63-Y120 WeakPolarHBondContact OE2-CE1 3.38Å; E63-Y302 WeakPolarHBondContact OE2-CE1 3.3Å; E63-Y302 PolarHBondContact OE2-OH 3.46Å
64Q87.3Confident87.2Confident0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-65.5-30.3-171.6-69.5179.6-64.400112.5H54 N57 Y58 C60 Y66 I67 I68 Y302H54-Q64 PolarHBondContact O-NE2 2.8Å; N57-Q64 PolarHBondContact O-NE2 2.82Å; N57-Q64 PolarHBondContact O-OE1 3.2Å; Y58-Q64 VanDerWaalsContact C-OE1 3.27Å; Y58-Q64 VanDerWaalsContact CA-OE1 3.26Å; Y58-Q64 HydrophobicContact CD2-CB 3.88Å; Y58-Q64 HydrophobicContact CE2-CB 3.62Å; C60-Q64 WeakPolarHBondContact O-CB 3.3Å; C60-Q64 WeakPolarHBondContact O-CG 3.44Å; C60-Q64 PolarHBondContact O-N 3.03Å; C60-Q64 PolarHBondContact O-OE1 3.48Å; Q64-Y66 VanDerWaalsContact C-N 3.33Å; Q64-Y66 PolarHBondContact O-N 3.07Å; Q64-I67 PolarHBondContact O-N 3.21Å; Q64-I68 WeakPolarHBondContact O-CD1 3.28Å; Q64-I68 VanDerWaalsContact O-CG1 3.28Å; Q64-I68 WeakPolarHBondContact O-CG1 3.5Å; Q64-I68 PolarHBondContact O-N 3.4Å; Q64-Y302 HydrophobicContact CG-CD1 4.02Å; Q64-Y302 HydrophobicContact CG-CD2 4.08Å; Q64-Y302 HydrophobicContact CG-CE1 3.94Å; Q64-Y302 HydrophobicContact CG-CE2 3.98Å; Q64-Y302 HydrophobicContact CG-CG 4.11Å; Q64-Y302 VanDerWaalsContact NE2-CG 3.3Å
65R88Confident87.4Confident22 Ų2227.5 Ų27.58%0.08315%0.146CC..Hα-helixtrans-53.5-50.6171.369.1-167.9-93.4-163.3-1111V61 S62 E63 I68 R69 D379 T409 D414V61-R65 WeakPolarHBondContact O-CB 3.48Å; V61-R65 WeakPolarHBondContact O-CD 3.49Å; V61-R65 VanDerWaalsContact O-CG 3.26Å; V61-R65 WeakPolarHBondContact O-CG 3.32Å; V61-R65 PolarHBondContact O-N 3.11Å; V61-R65 VanDerWaalsContact O-N 3.14Å; S62-R65 WeakPolarHBondContact O-CG 3.11Å; E63-R65 VanDerWaalsContact C-N 3.27Å; E63-R65 PolarHBondContact O-N 2.69Å; R65-I68 PolarHBondContact O-N 3.02Å; R65-R69 VanDerWaalsContact O-CG 3.3Å; R65-R69 WeakPolarHBondContact O-CG 3.27Å; R65-R69 PolarHBondContact O-N 2.92Å; R65-D379 IonicContact CZ-OD1 3.88Å; R65-D379 IonicContact NH1-OD1 2.84Å; R65-D379 PolarHBondContact NH1-OD1 3.47Å; R65-D379 IonicContact NH2-OD1 3.29Å; R65-T409 HydrophobicContact CB-CG2 4.32Å; R65-T409 VanDerWaalsContact O-CG2 3.28Å; R65-T409 WeakPolarHBondContact O-CG2 3.36Å; R65-D414 IonicContact CZ-OD2 3.77Å; R65-D414 IonicContact NH2-OD1 2.78Å; R65-D414 PolarHBondContact NH2-OD1 3.38Å; R65-D414 IonicContact NH2-OD2 3.76Å; R65-D414 PolarHBondContact NH2-OD2 3.11Å
66Y89.7Confident87.7Confident1 Ų127.9 Ų27.90%0.00415%0.152CC..Hα-helixtrans-73.3-33.7-176.8-62.3-67.9000112.1S62 E63 Q64 I68 R69 V70 A115 Q119S62-Y66 WeakPolarHBondContact O-CD2 3.33Å; S62-Y66 VanDerWaalsContact O-CE2 3.3Å; S62-Y66 WeakPolarHBondContact O-CE2 3.21Å; E63-Y66 PolarHBondContact O-N 3.43Å; E63-Y66 VanDerWaalsContact O-N 3.09Å; Q64-Y66 VanDerWaalsContact C-N 3.33Å; Q64-Y66 PolarHBondContact O-N 3.07Å; Y66-I68 VanDerWaalsContact C-N 3.34Å; Y66-I68 PolarHBondContact O-N 2.91Å; Y66-R69 PolarHBondContact O-N 3.48Å; Y66-V70 WeakPolarHBondContact O-CG2 3.43Å; Y66-V70 PolarHBondContact O-N 3.22Å; Y66-A115 HydrophobicContact CD1-CB 3.69Å; Y66-A115 HydrophobicContact CD2-CB 4.39Å; Y66-A115 HydrophobicContact CE1-CB 3.45Å; Y66-A115 VanDerWaalsContact CE1-CB 3.45Å; Y66-A115 HydrophobicContact CE2-CB 4.2Å; Y66-A115 HydrophobicContact CG-CB 4.17Å; Y66-Q119 HydrophobicContact CD2-CG 4.08Å; Y66-Q119 HydrophobicContact CE2-CG 3.75Å
67I90.4Very high88.1Confident1 Ų121.6 Ų21.61%0.00513%0.125CC..Hα-helixtrans-59-48.2172.4-64.9171.5000110.2E63 Q64 R69 V70 L71 L116 F297 Y302E63-I67 PolarHBondContact O-N 3.49Å; E63-I67 VanDerWaalsContact O-N 3.14Å; Q64-I67 PolarHBondContact O-N 3.21Å; I67-R69 VanDerWaalsContact C-N 3.35Å; I67-R69 PolarHBondContact O-N 3.08Å; I67-V70 PolarHBondContact O-N 2.87Å; I67-L71 HydrophobicContact CG2-CD1 4.03Å; I67-L71 HydrophobicContact CG2-CG 4.35Å; I67-L71 VanDerWaalsContact O-CG 3.32Å; I67-L71 WeakPolarHBondContact O-CG 3.34Å; I67-L71 PolarHBondContact O-N 2.93Å; I67-L116 HydrophobicContact CD1-CD1 4.35Å; I67-L116 HydrophobicContact CG1-CD1 3.82Å; I67-L116 HydrophobicContact CG1-CD2 3.7Å; I67-L116 HydrophobicContact CG1-CG 4.44Å; I67-F297 HydrophobicContact CD1-CD1 4.45Å; I67-F297 HydrophobicContact CG1-CD1 4.19Å; I67-F297 HydrophobicContact CG2-CB 4.06Å; I67-F297 HydrophobicContact CG2-CD1 4.22Å; I67-F297 HydrophobicContact CG2-CG 4.22Å; I67-Y302 HydrophobicContact CD1-CE2 3.81Å; I67-Y302 VanDerWaalsContact CD1-OH 3.26Å; I67-Y302 WeakPolarHBondContact CD1-OH 3.45Å
68I91.7Very high88.7Confident3 Ų320 Ų202%0.01512%0.116CC..Hα-helixtrans-63-42.4179.2-68164.3000110.8M51 H54 L55 Y58 Q64 R65 Y66 V70 L71 I72 T409M51-I68 HydrophobicContact CE-CG2 3.96Å; H54-I68 HydrophobicContact CB-CD1 4.4Å; H54-I68 HydrophobicContact CB-CG1 4.26Å; L55-I68 HydrophobicContact CD2-CD1 3.58Å; L55-I68 HydrophobicContact CG-CD1 3.83Å; Y58-I68 HydrophobicContact CE2-CD1 4.16Å; Q64-I68 WeakPolarHBondContact O-CD1 3.28Å; Q64-I68 VanDerWaalsContact O-CG1 3.28Å; Q64-I68 WeakPolarHBondContact O-CG1 3.5Å; Q64-I68 PolarHBondContact O-N 3.4Å; R65-I68 PolarHBondContact O-N 3.02Å; Y66-I68 VanDerWaalsContact C-N 3.34Å; Y66-I68 PolarHBondContact O-N 2.91Å; I68-V70 VanDerWaalsContact C-N 3.31Å; I68-V70 PolarHBondContact O-N 3.43Å; I68-L71 PolarHBondContact O-N 3.09Å; I68-L71 VanDerWaalsContact O-N 3.15Å; I68-I72 HydrophobicContact CG2-CD1 4.17Å; I68-I72 WeakPolarHBondContact O-CG1 3.32Å; I68-I72 PolarHBondContact O-N 3.15Å; I68-T409 HydrophobicContact CB-CG2 3.73Å; I68-T409 HydrophobicContact CD1-CG2 4.42Å; I68-T409 HydrophobicContact CG2-CG2 3.63Å
69R91.3Very high89.4Confident1 Ų122.9 Ų22.90%0.00413%0.133CC..Hα-helixtrans-56.7-43.5174.2-67.8177-177.3-170.1-1.1112.3R65 Y66 I67 I72 F108 S112 T409 D411 D414R65-R69 VanDerWaalsContact O-CG 3.3Å; R65-R69 WeakPolarHBondContact O-CG 3.27Å; R65-R69 PolarHBondContact O-N 2.92Å; Y66-R69 PolarHBondContact O-N 3.48Å; I67-R69 VanDerWaalsContact C-N 3.35Å; I67-R69 PolarHBondContact O-N 3.08Å; R69-I72 PolarHBondContact O-N 3.3Å; R69-F108 HydrophobicContact CB-CD1 4.13Å; R69-F108 HydrophobicContact CB-CE1 3.47Å; R69-F108 VanDerWaalsContact CB-CE1 3.47Å; R69-F108 HydrophobicContact CB-CZ 4.06Å; R69-F108 HydrophobicContact CG-CD1 4.44Å; R69-F108 HydrophobicContact CG-CE1 3.36Å; R69-F108 HydrophobicContact CG-CZ 3.49Å; R69-F108 VanDerWaalsContact CG-CZ 3.49Å; R69-S112 VanDerWaalsContact CB-OG 3.22Å; R69-S112 WeakPolarHBondContact CB-OG 3.15Å; R69-S112 VanDerWaalsContact CD-OG 3.24Å; R69-S112 WeakPolarHBondContact CD-OG 3.22Å; R69-T409 HydrophobicContact CG-CG2 4.14Å; R69-T409 WeakPolarHBondContact CG-O 3.36Å; R69-T409 PolarHBondContact NE-O 3.49Å; R69-T409 PolarHBondContact NH2-O 3.05Å; R69-D411 PolarHBondContact NH2-O 3.35Å; R69-D414 IonicContact CZ-OD2 3.98Å; R69-D414 VanDerWaalsContact CZ-OD2 3.24Å; R69-D414 IonicContact NH1-OD2 2.6Å; R69-D414 PolarHBondContact NH1-OD2 3.22Å; R69-D414 IonicContact NH2-OD2 3.66Å; R69-D414 PolarHBondContact NH2-OD2 3.36Å
70V91.5Very high90Very high1 Ų120.2 Ų20.21%0.00612%0.116CC..Hα-helixtrans-66.4-39.8176170.60000111.5Y66 I67 I68 I72 L73 F113 I239 F297Y66-V70 WeakPolarHBondContact O-CG2 3.43Å; Y66-V70 PolarHBondContact O-N 3.22Å; I67-V70 PolarHBondContact O-N 2.87Å; I68-V70 VanDerWaalsContact C-N 3.31Å; I68-V70 PolarHBondContact O-N 3.43Å; V70-I72 VanDerWaalsContact C-N 3.33Å; V70-I72 PolarHBondContact O-N 2.98Å; V70-L73 WeakPolarHBondContact O-CB 3.3Å; V70-L73 PolarHBondContact O-N 3Å; V70-F113 HydrophobicContact CG2-CB 4.08Å; V70-I239 HydrophobicContact CG1-CD1 3.23Å; V70-I239 HydrophobicContact CG1-CG1 3.89Å; V70-F297 HydrophobicContact CG1-CE2 4.49Å
71L92.9Very high90.5Very high0 Ų018.4 Ų18.40%010%0.104CC..Hα-helixtrans-66.1-33.2177.9-69.7175000112.6T47 Q50 M51 I67 I68 L73 V74 P75 L293T47-L71 HydrophobicContact CG2-CB 3.96Å; T47-L71 HydrophobicContact CG2-CD2 4.37Å; T47-L71 WeakPolarHBondContact CG2-O 3.31Å; Q50-L71 HydrophobicContact CB-CD1 4.49Å; Q50-L71 HydrophobicContact CG-CD1 3.89Å; M51-L71 HydrophobicContact CG-CB 3.85Å; M51-L71 HydrophobicContact CG-CD1 3.98Å; M51-L71 HydrophobicContact SD-CB 4.38Å; I67-L71 HydrophobicContact CG2-CD1 4.03Å; I67-L71 HydrophobicContact CG2-CG 4.35Å; I67-L71 VanDerWaalsContact O-CG 3.32Å; I67-L71 WeakPolarHBondContact O-CG 3.34Å; I67-L71 PolarHBondContact O-N 2.93Å; I68-L71 PolarHBondContact O-N 3.09Å; I68-L71 VanDerWaalsContact O-N 3.15Å; L71-L73 PolarHBondContact O-N 3.3Å; L71-L73 VanDerWaalsContact O-N 3.1Å; L71-V74 PolarHBondContact O-N 2.83Å; L71-P75 WeakPolarHBondContact O-CD 3.45Å; L71-L293 HydrophobicContact CD2-CB 4.06Å; L71-L293 HydrophobicContact CD2-CD1 4.16Å; L71-L293 HydrophobicContact CD2-CD2 4.46Å; L71-L293 HydrophobicContact CD2-CG 4.48Å
72I92.3Very high91Very high46 Ų4618.2 Ų18.224%0.23610%0.097CC..Hα-helixtrans-58.4-23.5176.7-72.3166000112.3M51 I68 R69 V70 V74 P75 A76 I410M51-I72 HydrophobicContact CE-CD1 4.15Å; M51-I72 HydrophobicContact CE-CG1 3.56Å; M51-I72 HydrophobicContact SD-CG1 4.15Å; I68-I72 HydrophobicContact CG2-CD1 4.17Å; I68-I72 WeakPolarHBondContact O-CG1 3.32Å; I68-I72 PolarHBondContact O-N 3.15Å; R69-I72 PolarHBondContact O-N 3.3Å; V70-I72 VanDerWaalsContact C-N 3.33Å; V70-I72 PolarHBondContact O-N 2.98Å; I72-V74 VanDerWaalsContact C-N 3.29Å; I72-V74 PolarHBondContact O-N 3.44Å; I72-P75 WeakPolarHBondContact O-CD 3.26Å; I72-A76 WeakPolarHBondContact O-CB 3.28Å; I72-A76 PolarHBondContact O-N 3.23Å; I72-A76 VanDerWaalsContact O-N 3.1Å; I72-I410 HydrophobicContact CD1-CD1 4.11Å; I72-I410 HydrophobicContact CD1-CG1 4.02Å
73L92.4Very high91.5Very high3 Ų319 Ų192%0.01610%0.097CC..Hα-helixtrans-53.3-44.2175.8-17666.1000112.5V70 L71 A76 Y77 E106 A109 I242V70-L73 WeakPolarHBondContact O-CB 3.3Å; V70-L73 PolarHBondContact O-N 3Å; L71-L73 PolarHBondContact O-N 3.3Å; L71-L73 VanDerWaalsContact O-N 3.1Å; L73-A76 PolarHBondContact O-N 3.28Å; L73-Y77 HydrophobicContact CD1-CD2 3.66Å; L73-Y77 HydrophobicContact CD1-CE2 3.3Å; L73-Y77 HydrophobicContact CG-CD2 4.17Å; L73-Y77 HydrophobicContact CG-CE2 4.16Å; L73-Y77 WeakPolarHBondContact O-CB 3.47Å; L73-Y77 WeakPolarHBondContact O-CD2 3.07Å; L73-Y77 PolarHBondContact O-N 3.14Å; L73-E106 HydrophobicContact CD1-CB 4.46Å; L73-A109 HydrophobicContact CB-CB 3.98Å; L73-A109 HydrophobicContact CD1-CB 3.81Å; L73-A109 HydrophobicContact CD2-CB 3.82Å; L73-A109 HydrophobicContact CG-CB 4.08Å; L73-I242 HydrophobicContact CD2-CG2 4.29Å
74V93.7Very high91.8Very high1 Ų117.4 Ų17.41%0.0069%0.09CC..Hα-helixtrans-68.4-51-174168.10000112.4T47 L71 I72 A76 Y77 A78 L286 V289 L293T47-V74 HydrophobicContact CG2-CB 4.3Å; T47-V74 WeakPolarHBondContact OG1-CG1 3.33Å; L71-V74 PolarHBondContact O-N 2.83Å; I72-V74 VanDerWaalsContact C-N 3.29Å; I72-V74 PolarHBondContact O-N 3.44Å; V74-A76 VanDerWaalsContact C-N 3.28Å; V74-A76 PolarHBondContact O-N 2.85Å; V74-Y77 PolarHBondContact O-N 2.73Å; V74-A78 WeakPolarHBondContact O-CB 3.2Å; V74-A78 PolarHBondContact O-N 2.78Å; V74-L286 HydrophobicContact CG1-CD2 4.28Å; V74-L286 HydrophobicContact CG2-CD2 4.35Å; V74-V289 HydrophobicContact CG2-CG1 3.8Å; V74-L293 HydrophobicContact CB-CD1 4.41Å; V74-L293 HydrophobicContact CG2-CD1 3.34Å
75P93.6Very high92Very high6 Ų617.4 Ų17.44%0.0399%0.09CC..Hα-helixtrans-58.9-37.9172.5-26.234.4000113.1T47 F48 L71 I72 A78 I79T47-P75 HydrophobicContact CG2-CG 3.96Å; F48-P75 HydrophobicContact CE1-CB 4.41Å; F48-P75 HydrophobicContact CE1-CG 4.29Å; F48-P75 HydrophobicContact CE2-CB 4.06Å; F48-P75 HydrophobicContact CE2-CG 4.26Å; F48-P75 HydrophobicContact CZ-CB 3.8Å; F48-P75 HydrophobicContact CZ-CG 4.07Å; L71-P75 WeakPolarHBondContact O-CD 3.45Å; I72-P75 WeakPolarHBondContact O-CD 3.26Å; P75-A78 PolarHBondContact O-N 3.28Å; P75-I79 VanDerWaalsContact O-CG1 3.29Å; P75-I79 WeakPolarHBondContact O-CG1 3.48Å; P75-I79 PolarHBondContact O-N 3.05Å
76A92.8Very high92Very high28 Ų2818.6 Ų18.623%0.23110%0.098CC..Hα-helixtrans-62.1-46.2177.100000111.6I72 L73 V74 I79 Y80 A105I72-A76 WeakPolarHBondContact O-CB 3.28Å; I72-A76 PolarHBondContact O-N 3.23Å; I72-A76 VanDerWaalsContact O-N 3.1Å; L73-A76 PolarHBondContact O-N 3.28Å; V74-A76 VanDerWaalsContact C-N 3.28Å; V74-A76 PolarHBondContact O-N 2.85Å; A76-I79 PolarHBondContact O-N 2.77Å; A76-Y80 WeakPolarHBondContact O-CB 3.43Å; A76-Y80 PolarHBondContact O-N 3.34Å; A76-A105 HydrophobicContact CB-CB 3.97Å
77Y92.4Very high92Very high1 Ų121.1 Ų21.10%0.00411%0.111CC..Hα-helixtrans-65.2-40175.5-88.4-137.2000112L73 V74 I79 Y80 S81 H102 E106 I242 I282 L286L73-Y77 HydrophobicContact CD1-CD2 3.66Å; L73-Y77 HydrophobicContact CD1-CE2 3.3Å; L73-Y77 HydrophobicContact CG-CD2 4.17Å; L73-Y77 HydrophobicContact CG-CE2 4.16Å; L73-Y77 WeakPolarHBondContact O-CB 3.47Å; L73-Y77 WeakPolarHBondContact O-CD2 3.07Å; L73-Y77 PolarHBondContact O-N 3.14Å; V74-Y77 PolarHBondContact O-N 2.73Å; Y77-I79 PolarHBondContact O-N 2.95Å; Y77-Y80 PolarHBondContact O-N 3.32Å; Y77-S81 WeakPolarHBondContact O-CB 3.42Å; Y77-S81 PolarHBondContact O-N 3.49Å; Y77-S81 PolarHBondContact O-OG 3.09Å; Y77-H102 AromaticContact CD1-NE2 3.91Å; Y77-H102 AromaticContact CD2-CD2 3.6Å; Y77-H102 AromaticContact CD2-NE2 3.76Å; Y77-H102 AromaticContact CE1-NE2 3.4Å; Y77-H102 WeakPolarHBondContact CE1-NE2 3.37Å; Y77-H102 AromaticContact CE2-CD2 3.35Å; Y77-H102 WeakPolarHBondContact CE2-CD2 3.22Å; Y77-H102 AromaticContact CE2-NE2 3.18Å; Y77-H102 WeakPolarHBondContact CE2-NE2 3.41Å; Y77-H102 AromaticContact CZ-CD2 3.7Å; Y77-H102 AromaticContact CZ-CE1 3.69Å; Y77-H102 AromaticContact CZ-NE2 2.98Å; Y77-H102 PolarHBondContact OH-CE1 3.2Å; Y77-H102 PolarHBondContact OH-NE2 2.85Å; Y77-E106 HydrophobicContact CE2-CB 4.29Å; Y77-E106 VanDerWaalsContact OH-CG 3.27Å; Y77-E106 WeakPolarHBondContact OH-CG 3.48Å; Y77-E106 PolarHBondContact OH-OE2 3.42Å; Y77-I242 HydrophobicContact CE1-CG2 4.47Å; Y77-I282 HydrophobicContact CD1-CG2 4.46Å; Y77-L286 HydrophobicContact CD1-CD2 4.31Å; Y77-L286 HydrophobicContact CG-CD2 4.5Å
78A93.9Very high91.9Very high0 Ų021.3 Ų21.30%011%0.113CC..Hα-helixtrans-61.8-44.7178.600000111.6A40 S44 V74 P75 F82 L286A40-A78 HydrophobicContact CB-CB 4.05Å; S44-A78 WeakPolarHBondContact OG-CB 3.26Å; V74-A78 WeakPolarHBondContact O-CB 3.2Å; V74-A78 PolarHBondContact O-N 2.78Å; P75-A78 PolarHBondContact O-N 3.28Å; A78-F82 WeakPolarHBondContact O-CB 3.22Å; A78-F82 PolarHBondContact O-N 3.39Å; A78-L286 HydrophobicContact CB-CD1 4.02Å
79I92.8Very high91.6Very high104 Ų10422 Ų2253%0.53312%0.116SC..Hα-helixtrans-65.3-46.3176.3-67.1165.9000110.4P75 A76 Y77 L83P75-I79 VanDerWaalsContact O-CG1 3.29Å; P75-I79 WeakPolarHBondContact O-CG1 3.48Å; P75-I79 PolarHBondContact O-N 3.05Å; A76-I79 PolarHBondContact O-N 2.77Å; Y77-I79 PolarHBondContact O-N 2.95Å; I79-L83 VanDerWaalsContact O-CB 3.24Å; I79-L83 WeakPolarHBondContact O-CB 3.49Å; I79-L83 PolarHBondContact O-N 3.35Å
80Y92.7Very high91.4Very high11 Ų1128.1 Ų28.14%0.04315%0.145CC..Hα-helixtrans-58.4-54.8178.2163.8-98.2000111.7A76 Y77 F82 L83 S84 I98 D99 H102 N279A76-Y80 WeakPolarHBondContact O-CB 3.43Å; A76-Y80 PolarHBondContact O-N 3.34Å; Y77-Y80 PolarHBondContact O-N 3.32Å; Y80-F82 VanDerWaalsContact C-N 3.33Å; Y80-F82 PolarHBondContact O-N 2.9Å; Y80-L83 PolarHBondContact O-N 2.95Å; Y80-S84 WeakPolarHBondContact O-CB 3.49Å; Y80-S84 PolarHBondContact O-N 3.04Å; Y80-I98 HydrophobicContact CD2-CB 4.12Å; Y80-I98 HydrophobicContact CD2-CG2 3.72Å; Y80-I98 HydrophobicContact CE2-CB 4.19Å; Y80-I98 HydrophobicContact CE2-CG2 4.3Å; Y80-D99 VanDerWaalsContact CE2-OD1 3.26Å; Y80-D99 WeakPolarHBondContact CE2-OD1 3.09Å; Y80-D99 VanDerWaalsContact CZ-OD1 3.28Å; Y80-D99 PolarHBondContact OH-OD1 3.15Å; Y80-H102 HydrophobicContact CD1-CB 4.29Å; Y80-H102 AromaticContact CD1-CD2 3.5Å; Y80-H102 VanDerWaalsContact CD1-CD2 3.5Å; Y80-H102 WeakPolarHBondContact CD1-CD2 3.14Å; Y80-H102 HydrophobicContact CD2-CB 3.67Å; Y80-H102 AromaticContact CE1-CD2 3.84Å; Y80-H102 HydrophobicContact CE2-CB 3.96Å; Y80-H102 HydrophobicContact CG-CB 3.84Å; Y80-H102 AromaticContact CG-CD2 3.84Å; Y80-N279 WeakPolarHBondContact CE1-OD1 3.39Å
81S92Very high91.1Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-65.1-38-176.5-65.70000111.9Y77 S84 V85 N279 I282Y77-S81 WeakPolarHBondContact O-CB 3.42Å; Y77-S81 PolarHBondContact O-N 3.49Å; Y77-S81 PolarHBondContact O-OG 3.09Å; S81-S84 PolarHBondContact O-N 3.31Å; S81-V85 WeakPolarHBondContact O-CG2 3.37Å; S81-V85 PolarHBondContact O-N 2.84Å; S81-N279 PolarHBondContact OG-OD1 3.08Å; S81-I282 VanDerWaalsContact OG-CG2 3.25Å; S81-I282 WeakPolarHBondContact OG-CG2 3.41Å
82F92.3Very high90.5Very high62 Ų6234.9 Ų34.927%0.27219%0.186SC..Hα-helixtrans-63.6-48.8173.6176.6-114.7000112.2C37 A40 A78 Y80 S84 V85 L86C37-F82 HydrophobicContact CB-CD2 4.18Å; C37-F82 HydrophobicContact CB-CE2 3.61Å; C37-F82 HydrophobicContact CB-CZ 4.3Å; A40-F82 HydrophobicContact CB-CB 4.14Å; A78-F82 WeakPolarHBondContact O-CB 3.22Å; A78-F82 PolarHBondContact O-N 3.39Å; Y80-F82 VanDerWaalsContact C-N 3.33Å; Y80-F82 PolarHBondContact O-N 2.9Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 2.98Å; F82-V85 PolarHBondContact O-N 3.02Å; F82-L86 HydrophobicContact CD1-CD1 4.09Å; F82-L86 HydrophobicContact CD2-CG 4.45Å; F82-L86 HydrophobicContact CE1-CD1 3.44Å; F82-L86 VanDerWaalsContact CE1-CD1 3.44Å; F82-L86 HydrophobicContact CE1-CG 4.25Å; F82-L86 HydrophobicContact CE2-CD1 4.02Å; F82-L86 HydrophobicContact CE2-CD2 4.25Å; F82-L86 HydrophobicContact CE2-CG 4Å; F82-L86 HydrophobicContact CZ-CD1 3.41Å; F82-L86 VanDerWaalsContact CZ-CD1 3.41Å; F82-L86 HydrophobicContact CZ-CD2 4.26Å; F82-L86 HydrophobicContact CZ-CG 3.92Å; F82-L86 PolarHBondContact O-N 3.44Å
83L92.3Very high90.1Very high70 Ų7035.3 Ų35.337%0.36619%0.19SC..Hα-helixtrans-63.7-37.5178.9-175.858.6000111.5I79 Y80 L86 L87 I98I79-L83 VanDerWaalsContact O-CB 3.24Å; I79-L83 WeakPolarHBondContact O-CB 3.49Å; I79-L83 PolarHBondContact O-N 3.35Å; Y80-L83 PolarHBondContact O-N 2.95Å; L83-L86 PolarHBondContact O-N 2.92Å; L83-L87 HydrophobicContact CD1-CD1 4.33Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 HydrophobicContact CG-CG 4.46Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.2Å; L83-L87 PolarHBondContact O-N 3.46Å; L83-I98 HydrophobicContact CB-CD1 4.39Å; L83-I98 HydrophobicContact CD2-CD1 3.48Å; L83-I98 VanDerWaalsContact CD2-CD1 3.48Å; L83-I98 HydrophobicContact CD2-CG1 4.43Å; L83-I98 HydrophobicContact CG-CD1 3.59Å
84S91.3Very high89.3Confident4 Ų437.2 Ų37.23%0.02820%0.201CC..Hα-helixtrans-62.2-42.9175.1-177.70000112.1Y80 S81 F82 A88 S95 N279Y80-S84 WeakPolarHBondContact O-CB 3.49Å; Y80-S84 PolarHBondContact O-N 3.04Å; S81-S84 PolarHBondContact O-N 3.31Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 2.98Å; S84-A88 VanDerWaalsContact O-CB 3.23Å; S84-A88 WeakPolarHBondContact O-CB 3.4Å; S84-A88 PolarHBondContact O-N 3.01Å; S84-S95 WeakPolarHBondContact OG-CB 3.5Å; S84-N279 PolarHBondContact OG-ND2 2.98Å
85V91Very high88.8Confident1 Ų138.3 Ų38.31%0.00621%0.208CC..Hα-helixtrans-65.4-42.7175.9170.40000110.8Q33 S81 F82 A88 I89 N279Q33-V85 HydrophobicContact CG-CG1 4.48Å; S81-V85 WeakPolarHBondContact O-CG2 3.37Å; S81-V85 PolarHBondContact O-N 2.84Å; F82-V85 PolarHBondContact O-N 3.02Å; V85-A88 PolarHBondContact O-N 3.46Å; V85-I89 HydrophobicContact CG1-CD1 3.74Å; V85-I89 WeakPolarHBondContact O-CG1 3.33Å; V85-I89 PolarHBondContact O-N 2.9Å; V85-I89 VanDerWaalsContact O-N 3.08Å; V85-N279 HydrophobicContact CG2-CB 3.71Å
86L89.9Confident88.1Confident46 Ų4638.3 Ų38.324%0.24121%0.208CC..Hα-helixtrans-63.6-45.9179-74.5-176.1000112.8F82 L83 I89 H90F82-L86 HydrophobicContact CD1-CD1 4.09Å; F82-L86 HydrophobicContact CD2-CG 4.45Å; F82-L86 HydrophobicContact CE1-CD1 3.44Å; F82-L86 VanDerWaalsContact CE1-CD1 3.44Å; F82-L86 HydrophobicContact CE1-CG 4.25Å; F82-L86 HydrophobicContact CE2-CD1 4.02Å; F82-L86 HydrophobicContact CE2-CD2 4.25Å; F82-L86 HydrophobicContact CE2-CG 4Å; F82-L86 HydrophobicContact CZ-CD1 3.41Å; F82-L86 VanDerWaalsContact CZ-CD1 3.41Å; F82-L86 HydrophobicContact CZ-CD2 4.26Å; F82-L86 HydrophobicContact CZ-CG 3.92Å; F82-L86 PolarHBondContact O-N 3.44Å; L83-L86 PolarHBondContact O-N 2.92Å; L86-I89 PolarHBondContact O-N 2.98Å; L86-H90 WeakPolarHBondContact O-CB 3.37Å; L86-H90 PolarHBondContact O-N 3.4Å; L86-H90 PolarHBondContact O-ND1 2.82Å
87L89.8Confident87.3Confident55 Ų5543.6 Ų43.629%0.28822%0.223SC..Hα-helixtrans-66.4-39.1178.4-75.6175000112L83 I89 A91 M92 V93 I98L83-L87 HydrophobicContact CD1-CD1 4.33Å; L83-L87 HydrophobicContact CD1-CG 4.24Å; L83-L87 HydrophobicContact CG-CD1 4.12Å; L83-L87 HydrophobicContact CG-CG 4.46Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 WeakPolarHBondContact O-CG 3.2Å; L83-L87 PolarHBondContact O-N 3.46Å; L87-I89 VanDerWaalsContact C-N 3.35Å; L87-I89 PolarHBondContact O-N 3.46Å; L87-A91 HydrophobicContact CD2-CB 4.08Å; L87-A91 CarbonylContact O-C 3.6Å; L87-A91 WeakPolarHBondContact O-CA 2.93Å; L87-A91 WeakPolarHBondContact O-CB 3.16Å; L87-A91 PolarHBondContact O-N 3.23Å; L87-M92 PolarHBondContact O-N 2.64Å; L87-V93 PolarHBondContact O-N 2.97Å; L87-I98 HydrophobicContact CD1-CD1 3.28Å; L87-I98 HydrophobicContact CD1-CG1 4.37Å
88A87.4Confident87Confident4 Ų444.8 Ų44.83%0.03323%0.229CC..Hα-helixtrans-60.1-46.6176.100000111.1S84 V85 M92 L272 I276S84-A88 VanDerWaalsContact O-CB 3.23Å; S84-A88 WeakPolarHBondContact O-CB 3.4Å; S84-A88 PolarHBondContact O-N 3.01Å; V85-A88 PolarHBondContact O-N 3.46Å; A88-M92 WeakPolarHBondContact O-CA 3.46Å; A88-M92 PolarHBondContact O-N 3.35Å; A88-L272 HydrophobicContact CB-CD1 4.25Å; A88-L272 HydrophobicContact CB-CD2 3.95Å; A88-L272 HydrophobicContact CB-CG 3.89Å; A88-L272 WeakPolarHBondContact O-CD2 3.31Å; A88-I276 HydrophobicContact CB-CD1 3.93Å; A88-I276 HydrophobicContact CB-CG1 3.48Å; A88-I276 VanDerWaalsContact CB-CG1 3.48Å
89I85.3Confident86.6Confident17 Ų1746.2 Ų46.29%0.08724%0.237CC..Hα-helixtrans-77-42.9-175.3-62.7166.5000112.7Q33 V85 L86 L87 I276Q33-I89 HydrophobicContact CG-CD1 3.43Å; Q33-I89 VanDerWaalsContact CG-CD1 3.43Å; V85-I89 HydrophobicContact CG1-CD1 3.74Å; V85-I89 WeakPolarHBondContact O-CG1 3.33Å; V85-I89 PolarHBondContact O-N 2.9Å; V85-I89 VanDerWaalsContact O-N 3.08Å; L86-I89 PolarHBondContact O-N 2.98Å; L87-I89 VanDerWaalsContact C-N 3.35Å; L87-I89 PolarHBondContact O-N 3.46Å; I89-I276 HydrophobicContact CG1-CD1 3.97Å; I89-I276 HydrophobicContact CG1-CG1 4.48Å
90H86.6Confident86.4Confident131 Ų13144.5 Ų44.561%0.60623%0.225SC*.Hα-helixtrans-92-38.8-172.8-62.491.3000113.8Q33 L86Q33-H90 PolarHBondContact OE1-CE1 2.9Å; Q33-H90 VanDerWaalsContact OE1-CE1 3.28Å; L86-H90 WeakPolarHBondContact O-CB 3.37Å; L86-H90 PolarHBondContact O-N 3.4Å; L86-H90 PolarHBondContact O-ND1 2.82Å
91A86Confident86.1Confident49 Ų4949.5 Ų49.541%0.40525%0.252SS..Hα-helixtrans-101.5-13.6-174.200000112.9L87 V93L87-A91 HydrophobicContact CD2-CB 4.08Å; L87-A91 CarbonylContact O-C 3.6Å; L87-A91 WeakPolarHBondContact O-CA 2.93Å; L87-A91 WeakPolarHBondContact O-CB 3.16Å; L87-A91 PolarHBondContact O-N 3.23Å; A91-V93 HydrophobicContact CB-CB 4.34Å; A91-V93 HydrophobicContact CB-CG2 3.83Å; A91-V93 WeakPolarHBondContact O-CG2 3.05Å; A91-V93 PolarHBondContact O-N 3.11Å
92M80.9Confident86Confident94 Ų9450.2 Ų50.246%0.46326%0.255SS..  trans55.632-173-52.4-71.2-17600112.4L87 A88 Y268L87-M92 PolarHBondContact O-N 2.64Å; A88-M92 WeakPolarHBondContact O-CA 3.46Å; A88-M92 PolarHBondContact O-N 3.35Å; M92-Y268 HydrophobicContact CE-CD1 4.22Å; M92-Y268 HydrophobicContact CE-CD2 4.42Å; M92-Y268 HydrophobicContact CE-CE1 3.45Å; M92-Y268 VanDerWaalsContact CE-CE1 3.45Å; M92-Y268 HydrophobicContact CE-CE2 3.7Å; M92-Y268 WeakPolarHBondContact CE-OH 3.1Å; M92-Y268 HydrophobicContact SD-CD1 3.55Å; M92-Y268 VanDerWaalsContact SD-CD1 3.55Å; M92-Y268 HydrophobicContact SD-CE1 3.13Å; M92-Y268 WeakPolarHBondContact SD-CE1 3.13Å; M92-Y268 HydrophobicContact SD-CE2 4.29Å; M92-Y268 HydrophobicContact SD-CG 4.25Å; M92-Y268 VanDerWaalsContact SD-CZ 3.57Å
93V82.9Confident85.9Confident54 Ų5448 Ų4833%0.32725%0.246SC..  trans-105.2133.1-179.1-178.60000109.3L87 A91 Y97L87-V93 PolarHBondContact O-N 2.97Å; A91-V93 HydrophobicContact CB-CB 4.34Å; A91-V93 HydrophobicContact CB-CG2 3.83Å; A91-V93 WeakPolarHBondContact O-CG2 3.05Å; A91-V93 PolarHBondContact O-N 3.11Å; V93-Y97 HydrophobicContact CG1-CD2 3.76Å; V93-Y97 HydrophobicContact CG1-CE2 3.81Å
94D76.6Confident85.8Confident44 Ų4448.2 Ų48.224%0.23525%0.247CC..  trans-63.6149.6175.1-62.8-52.2000111.4I96 T271D94-I96 HydrophobicContact CB-CG2 4.42Å; D94-I96 PolarHBondContact O-N 3.47Å; D94-T271 PolarHBondContact OD1-OG1 3.35Å
95S81.6Confident85.8Confident23 Ų2349 Ų4916%0.16125%0.254CS..THydrogen-bonded Turntrans-65.4-10.2-175.566.40000115S84 Y97 I98 D99S84-S95 WeakPolarHBondContact OG-CB 3.5Å; S95-Y97 PolarHBondContact O-N 2.65Å; S95-I98 PolarHBondContact O-N 3.46Å; S95-D99 PolarHBondContact O-N 3.41Å; S95-D99 PolarHBondContact OG-OD1 2.94Å
96I79Confident85.7Confident7 Ų749.2 Ų49.24%0.03626%0.255CS..Hα-helixtrans-55.9-28.8-168.2-162.6159000114.7D94 I98 M182 Y187D94-I96 HydrophobicContact CB-CG2 4.42Å; D94-I96 PolarHBondContact O-N 3.47Å; I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.44Å; I96-M182 HydrophobicContact CD1-CB 3.96Å; I96-M182 HydrophobicContact CD1-CG 4.17Å; I96-M182 HydrophobicContact CG2-CG 4.22Å; I96-Y187 HydrophobicContact CD1-CD1 3.91Å; I96-Y187 HydrophobicContact CD1-CE1 3.44Å; I96-Y187 VanDerWaalsContact CD1-CE1 3.44Å
97Y77.5Confident85.8Confident139 Ų13947.2 Ų47.255%0.54525%0.245SC..Hα-helixtrans-70.4-22.5178.2-64.5-74.2000113.4V93 S95 M179V93-Y97 HydrophobicContact CG1-CD2 3.76Å; V93-Y97 HydrophobicContact CG1-CE2 3.81Å; S95-Y97 PolarHBondContact O-N 2.65Å; Y97-M179 HydrophobicContact CD1-CG 4.47Å
98I84.6Confident85.8Confident25 Ų2546.2 Ų46.213%0.12824%0.238CC..Hα-helixtrans-103.8-19.1-178.5-49165.8000111Y80 L83 L87 S95 I96 F100 I101 H102Y80-I98 HydrophobicContact CD2-CB 4.12Å; Y80-I98 HydrophobicContact CD2-CG2 3.72Å; Y80-I98 HydrophobicContact CE2-CB 4.19Å; Y80-I98 HydrophobicContact CE2-CG2 4.3Å; L83-I98 HydrophobicContact CB-CD1 4.39Å; L83-I98 HydrophobicContact CD2-CD1 3.48Å; L83-I98 VanDerWaalsContact CD2-CD1 3.48Å; L83-I98 HydrophobicContact CD2-CG1 4.43Å; L83-I98 HydrophobicContact CG-CD1 3.59Å; L87-I98 HydrophobicContact CD1-CD1 3.28Å; L87-I98 HydrophobicContact CD1-CG1 4.37Å; S95-I98 PolarHBondContact O-N 3.46Å; I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.44Å; I98-F100 PolarHBondContact O-N 2.96Å; I98-F100 VanDerWaalsContact O-N 3.07Å; I98-I101 PolarHBondContact O-N 3.26Å; I98-H102 PolarHBondContact O-N 3.32Å
99D85.9Confident85.9Confident31 Ų3146 Ų4617%0.16624%0.236CC..Hα-helixtrans-51-35.8178.7-70.22.1000112.4Y80 S95 I101 H102 D103Y80-D99 VanDerWaalsContact CE2-OD1 3.26Å; Y80-D99 WeakPolarHBondContact CE2-OD1 3.09Å; Y80-D99 VanDerWaalsContact CZ-OD1 3.28Å; Y80-D99 PolarHBondContact OH-OD1 3.15Å; S95-D99 PolarHBondContact O-N 3.41Å; S95-D99 PolarHBondContact OG-OD1 2.94Å; D99-I101 PolarHBondContact O-N 3.34Å; D99-H102 WeakPolarHBondContact O-CB 3.09Å; D99-H102 PolarHBondContact O-N 3.39Å; D99-D103 WeakPolarHBondContact O-CB 3.41Å; D99-D103 PolarHBondContact O-N 3.32Å
100F88.7Confident86.1Confident67 Ų6745.6 Ų45.629%0.29423%0.234SC..Hα-helixtrans-58.5-43.3177.6179.4-105.6000113.9I98 D103 I104 P172 S175 F176I98-F100 PolarHBondContact O-N 2.96Å; I98-F100 VanDerWaalsContact O-N 3.07Å; F100-D103 PolarHBondContact O-N 3.49Å; F100-I104 HydrophobicContact CD1-CD1 3.94Å; F100-I104 HydrophobicContact CE1-CD1 3.4Å; F100-I104 HydrophobicContact CE2-CD1 4.1Å; F100-I104 HydrophobicContact CZ-CD1 3.5Å; F100-I104 HydrophobicContact CZ-CG1 4.4Å; F100-I104 WeakPolarHBondContact O-CG1 3.37Å; F100-I104 PolarHBondContact O-N 2.97Å; F100-P172 HydrophobicContact CE2-CB 4.18Å; F100-S175 VanDerWaalsContact CA-OG 3.26Å; F100-S175 WeakPolarHBondContact CA-OG 3.4Å; F100-S175 PolarHBondContact N-OG 3Å; F100-F176 HydrophobicContact CD2-CB 4.08Å; F100-F176 HydrophobicContact CE2-CB 3.93Å; F100-F176 HydrophobicContact CE2-CD2 4.44Å
101I87.3Confident86.2Confident116 Ų11639.6 Ų39.660%0.59521%0.206SC*.Hα-helixtrans-69.2-42.3-179.8-62.1173.6000109.8I98 D99 D103 I104 A105I98-I101 PolarHBondContact O-N 3.26Å; D99-I101 PolarHBondContact O-N 3.34Å; I101-D103 VanDerWaalsContact C-N 3.32Å; I101-D103 PolarHBondContact O-N 3.47Å; I101-I104 PolarHBondContact O-N 3.46Å; I101-A105 PolarHBondContact O-N 2.91Å; I101-A105 VanDerWaalsContact O-N 3.17Å
102H89.2Confident86.4Confident16 Ų1637.2 Ų37.27%0.07419%0.187CC..Hα-helixtrans-57.9-46.2175.5162.9-88.1000111.5Y77 Y80 I98 D99 I104 A105 E106Y77-H102 AromaticContact CD1-NE2 3.91Å; Y77-H102 AromaticContact CD2-CD2 3.6Å; Y77-H102 AromaticContact CD2-NE2 3.76Å; Y77-H102 AromaticContact CE1-NE2 3.4Å; Y77-H102 WeakPolarHBondContact CE1-NE2 3.37Å; Y77-H102 AromaticContact CE2-CD2 3.35Å; Y77-H102 WeakPolarHBondContact CE2-CD2 3.22Å; Y77-H102 AromaticContact CE2-NE2 3.18Å; Y77-H102 WeakPolarHBondContact CE2-NE2 3.41Å; Y77-H102 AromaticContact CZ-CD2 3.7Å; Y77-H102 AromaticContact CZ-CE1 3.69Å; Y77-H102 AromaticContact CZ-NE2 2.98Å; Y77-H102 PolarHBondContact OH-CE1 3.2Å; Y77-H102 PolarHBondContact OH-NE2 2.85Å; Y80-H102 HydrophobicContact CD1-CB 4.29Å; Y80-H102 AromaticContact CD1-CD2 3.5Å; Y80-H102 VanDerWaalsContact CD1-CD2 3.5Å; Y80-H102 WeakPolarHBondContact CD1-CD2 3.14Å; Y80-H102 HydrophobicContact CD2-CB 3.67Å; Y80-H102 AromaticContact CE1-CD2 3.84Å; Y80-H102 HydrophobicContact CE2-CB 3.96Å; Y80-H102 HydrophobicContact CG-CB 3.84Å; Y80-H102 AromaticContact CG-CD2 3.84Å; I98-H102 PolarHBondContact O-N 3.32Å; D99-H102 WeakPolarHBondContact O-CB 3.09Å; D99-H102 PolarHBondContact O-N 3.39Å; H102-I104 VanDerWaalsContact C-N 3.34Å; H102-I104 PolarHBondContact O-N 3.31Å; H102-A105 WeakPolarHBondContact O-CB 3.29Å; H102-A105 PolarHBondContact O-N 3.46Å; H102-A105 VanDerWaalsContact O-N 3.14Å; H102-E106 IonicContact CE1-OE2 2.78Å; H102-E106 PolarHBondContact O-N 3.01Å
103D90.2Very high86.8Confident15 Ų1533.2 Ų33.28%0.0817%0.167CC..Hα-helixtrans-66.7-33.6-178.1-77.2-18.5000113.2D99 F100 I101 A107 K171 S175D99-D103 WeakPolarHBondContact O-CB 3.41Å; D99-D103 PolarHBondContact O-N 3.32Å; F100-D103 PolarHBondContact O-N 3.49Å; I101-D103 VanDerWaalsContact C-N 3.32Å; I101-D103 PolarHBondContact O-N 3.47Å; D103-A107 WeakPolarHBondContact O-CB 3.25Å; D103-A107 PolarHBondContact O-N 3.13Å; D103-K171 HydrophobicContact CB-CG 3.91Å; D103-K171 VanDerWaalsContact CG-CE 3.49Å; D103-K171 WeakPolarHBondContact OD1-CE 3.19Å; D103-K171 IonicContact OD1-NZ 2.64Å; D103-K171 PolarHBondContact OD1-NZ 3.45Å; D103-S175 WeakPolarHBondContact OD2-CB 3.3Å; D103-S175 PolarHBondContact OD2-OG 2.91Å
104I90.5Very high87Confident74 Ų7431 Ų3138%0.37915%0.153SC..Hα-helixtrans-66-43.4171.4-68.8167.2000111F100 I101 H102 E106 A107 F108 P172F100-I104 HydrophobicContact CD1-CD1 3.94Å; F100-I104 HydrophobicContact CE1-CD1 3.4Å; F100-I104 HydrophobicContact CE2-CD1 4.1Å; F100-I104 HydrophobicContact CZ-CD1 3.5Å; F100-I104 HydrophobicContact CZ-CG1 4.4Å; F100-I104 WeakPolarHBondContact O-CG1 3.37Å; F100-I104 PolarHBondContact O-N 2.97Å; I101-I104 PolarHBondContact O-N 3.46Å; H102-I104 VanDerWaalsContact C-N 3.34Å; H102-I104 PolarHBondContact O-N 3.31Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.81Å; I104-A107 PolarHBondContact O-N 3.39Å; I104-F108 WeakPolarHBondContact O-CB 3.46Å; I104-F108 PolarHBondContact O-N 3.32Å; I104-P172 HydrophobicContact CG1-CB 4.12Å; I104-P172 HydrophobicContact CG1-CG 4.04Å
105A90.9Very high87.5Confident22 Ų2229.2 Ų29.218%0.18215%0.145CC..Hα-helixtrans-62.8-39.7178.800000111.5A76 I101 H102 F108 A109A76-A105 HydrophobicContact CB-CB 3.97Å; I101-A105 PolarHBondContact O-N 2.91Å; I101-A105 VanDerWaalsContact O-N 3.17Å; H102-A105 WeakPolarHBondContact O-CB 3.29Å; H102-A105 PolarHBondContact O-N 3.46Å; H102-A105 VanDerWaalsContact O-N 3.14Å; A105-F108 PolarHBondContact O-N 2.93Å; A105-A109 WeakPolarHBondContact O-CB 3.32Å; A105-A109 PolarHBondContact O-N 2.6Å
106E89.6Confident87.8Confident5 Ų528.2 Ų28.22%0.02314%0.138CC..Hα-helixtrans-65.1-46.8175.2-167.3-173.8151.400112.3L73 Y77 H102 I104 F108 A109 I110 Y167 K171 I243L73-E106 HydrophobicContact CD1-CB 4.46Å; Y77-E106 HydrophobicContact CE2-CB 4.29Å; Y77-E106 VanDerWaalsContact OH-CG 3.27Å; Y77-E106 WeakPolarHBondContact OH-CG 3.48Å; Y77-E106 PolarHBondContact OH-OE2 3.42Å; H102-E106 IonicContact CE1-OE2 2.78Å; H102-E106 PolarHBondContact O-N 3.01Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.81Å; E106-F108 VanDerWaalsContact C-N 3.28Å; E106-F108 PolarHBondContact O-N 3.5Å; E106-A109 PolarHBondContact O-N 3.11Å; E106-I110 PolarHBondContact O-N 3.28Å; E106-Y167 HydrophobicContact CG-CE1 4.49Å; E106-Y167 PolarHBondContact OE1-OH 2.9Å; E106-K171 IonicContact OE1-NZ 2.68Å; E106-K171 IonicContact OE2-NZ 2.8Å; E106-K171 PolarHBondContact OE2-NZ 3.5Å; E106-I243 HydrophobicContact CG-CG1 4.26Å; E106-I243 WeakPolarHBondContact OE1-CG2 3.32Å
107A90.9Very high88.1Confident4 Ų428.4 Ų28.43%0.03314%0.14CC..Hα-helixtrans-55.5-45.4174.300000111.6D103 I104 A109 I110 Y111 T168 P172D103-A107 WeakPolarHBondContact O-CB 3.25Å; D103-A107 PolarHBondContact O-N 3.13Å; I104-A107 PolarHBondContact O-N 3.39Å; A107-A109 PolarHBondContact O-N 2.74Å; A107-I110 PolarHBondContact O-N 3.37Å; A107-Y111 PolarHBondContact O-N 2.84Å; A107-Y111 VanDerWaalsContact O-N 3.09Å; A107-T168 HydrophobicContact CB-CG2 4.3Å; A107-T168 WeakPolarHBondContact O-CG2 3.31Å; A107-P172 HydrophobicContact CB-CG 4.37Å
108F89.5Confident88.4Confident33 Ų3322.4 Ų22.415%0.14512%0.116CC..Hα-helixtrans-64.6-38.3178.3-171.8-111.8000112.6R69 I104 A105 E106 S112R69-F108 HydrophobicContact CB-CD1 4.13Å; R69-F108 HydrophobicContact CB-CE1 3.47Å; R69-F108 VanDerWaalsContact CB-CE1 3.47Å; R69-F108 HydrophobicContact CB-CZ 4.06Å; R69-F108 HydrophobicContact CG-CD1 4.44Å; R69-F108 HydrophobicContact CG-CE1 3.36Å; R69-F108 HydrophobicContact CG-CZ 3.49Å; R69-F108 VanDerWaalsContact CG-CZ 3.49Å; I104-F108 WeakPolarHBondContact O-CB 3.46Å; I104-F108 PolarHBondContact O-N 3.32Å; A105-F108 PolarHBondContact O-N 2.93Å; E106-F108 VanDerWaalsContact C-N 3.28Å; E106-F108 PolarHBondContact O-N 3.5Å; F108-S112 WeakPolarHBondContact O-CB 3.47Å; F108-S112 PolarHBondContact O-N 3.33Å; F108-S112 PolarHBondContact O-OG 2.89Å
109A90Very high88.4Confident0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-67.1-42.1177.800000112.4L73 A105 E106 A107 S112 F113L73-A109 HydrophobicContact CB-CB 3.98Å; L73-A109 HydrophobicContact CD1-CB 3.81Å; L73-A109 HydrophobicContact CD2-CB 3.82Å; L73-A109 HydrophobicContact CG-CB 4.08Å; A105-A109 WeakPolarHBondContact O-CB 3.32Å; A105-A109 PolarHBondContact O-N 2.6Å; E106-A109 PolarHBondContact O-N 3.11Å; A107-A109 PolarHBondContact O-N 2.74Å; A109-S112 PolarHBondContact O-N 3.27Å; A109-F113 VanDerWaalsContact O-CB 3.29Å; A109-F113 WeakPolarHBondContact O-CB 3.24Å; A109-F113 PolarHBondContact O-N 3.5Å
110I89.5Confident88.3Confident8 Ų823 Ų234%0.04112%0.116CC..Hα-helixtrans-65.3-45.6177.7-68.7-177.6000111.3E106 A107 S112 F113 L114 T164 Y167 L216 I243E106-I110 PolarHBondContact O-N 3.28Å; A107-I110 PolarHBondContact O-N 3.37Å; I110-S112 VanDerWaalsContact C-N 3.34Å; I110-S112 PolarHBondContact O-N 3.32Å; I110-F113 PolarHBondContact O-N 3.16Å; I110-L114 PolarHBondContact O-N 2.83Å; I110-T164 HydrophobicContact CG2-CG2 3.5Å; I110-Y167 HydrophobicContact CD1-CD1 3.53Å; I110-Y167 HydrophobicContact CD1-CE1 3.31Å; I110-Y167 HydrophobicContact CD1-CG 4.47Å; I110-Y167 HydrophobicContact CG1-CE1 4.46Å; I110-L216 HydrophobicContact CG2-CD1 4.23Å; I110-I243 HydrophobicContact CD1-CD1 3.68Å; I110-I243 HydrophobicContact CD1-CG1 4.43Å; I110-I243 HydrophobicContact CD1-CG2 4.2Å; I110-I243 HydrophobicContact CG1-CD1 3.38Å; I110-I243 HydrophobicContact CG1-CG1 4.47Å
111Y89.3Confident87.9Confident5 Ų520.8 Ų20.82%0.0211%0.108CC..Hα-helixtrans-57.5-49.8173.9174-99.3000111.2A107 F113 L114 A115 L165 D414 I415 D418A107-Y111 PolarHBondContact O-N 2.84Å; A107-Y111 VanDerWaalsContact O-N 3.09Å; Y111-F113 VanDerWaalsContact C-N 3.26Å; Y111-F113 PolarHBondContact O-N 3Å; Y111-L114 PolarHBondContact O-N 2.86Å; Y111-L114 VanDerWaalsContact O-N 3.16Å; Y111-A115 HydrophobicContact CE1-CB 4.45Å; Y111-A115 WeakPolarHBondContact O-CB 3.22Å; Y111-A115 PolarHBondContact O-N 2.95Å; Y111-L165 HydrophobicContact CD2-CD1 3.77Å; Y111-L165 HydrophobicContact CE2-CD1 4.07Å; Y111-D414 HydrophobicContact CE1-CB 4.32Å; Y111-D414 PolarHBondContact OH-O 2.96Å; Y111-I415 HydrophobicContact CD1-CB 3.8Å; Y111-I415 HydrophobicContact CD1-CD1 4.19Å; Y111-I415 HydrophobicContact CD1-CG1 4.15Å; Y111-I415 HydrophobicContact CD2-CB 4.13Å; Y111-I415 HydrophobicContact CD2-CD1 4.03Å; Y111-I415 HydrophobicContact CD2-CG1 3.74Å; Y111-I415 HydrophobicContact CE1-CB 3.73Å; Y111-I415 HydrophobicContact CE1-CG1 4.41Å; Y111-I415 HydrophobicContact CE2-CB 4.06Å; Y111-I415 HydrophobicContact CE2-CG1 4.02Å; Y111-I415 HydrophobicContact CG-CB 3.99Å; Y111-I415 HydrophobicContact CG-CD1 3.7Å; Y111-I415 HydrophobicContact CG-CG1 3.8Å; Y111-D418 HydrophobicContact CE2-CB 4.14Å; Y111-D418 WeakPolarHBondContact CE2-OD2 3.27Å
112S89.1Confident87.3Confident0 Ų017.1 Ų17.10%010%0.099CC..Hα-helixtrans-62.4-36.6-178.6-60.90000111.8R69 F108 A109 I110 A115 L116R69-S112 VanDerWaalsContact CB-OG 3.22Å; R69-S112 WeakPolarHBondContact CB-OG 3.15Å; R69-S112 VanDerWaalsContact CD-OG 3.24Å; R69-S112 WeakPolarHBondContact CD-OG 3.22Å; F108-S112 WeakPolarHBondContact O-CB 3.47Å; F108-S112 PolarHBondContact O-N 3.33Å; F108-S112 PolarHBondContact O-OG 2.89Å; A109-S112 PolarHBondContact O-N 3.27Å; I110-S112 VanDerWaalsContact C-N 3.34Å; I110-S112 PolarHBondContact O-N 3.32Å; S112-A115 PolarHBondContact O-N 3.14Å; S112-L116 VanDerWaalsContact O-CB 3.3Å; S112-L116 WeakPolarHBondContact O-CB 3.4Å; S112-L116 PolarHBondContact O-N 3.44Å
113F89.2Confident86.9Confident10 Ų1017.2 Ų17.24%0.04410%0.103CC..Hα-helixtrans-65.6-44.1175.3179.6-103.6000112.2V70 A109 I110 Y111 L116 C117 L216 F236 I239V70-F113 HydrophobicContact CG2-CB 4.08Å; A109-F113 VanDerWaalsContact O-CB 3.29Å; A109-F113 WeakPolarHBondContact O-CB 3.24Å; A109-F113 PolarHBondContact O-N 3.5Å; I110-F113 PolarHBondContact O-N 3.16Å; Y111-F113 VanDerWaalsContact C-N 3.26Å; Y111-F113 PolarHBondContact O-N 3Å; F113-L116 PolarHBondContact O-N 2.85Å; F113-C117 PolarHBondContact O-N 3.46Å; F113-C117 VanDerWaalsContact O-N 3.15Å; F113-C117 PolarHBondContact O-SG 2.69Å; F113-L216 HydrophobicContact CD1-CD2 4.33Å; F113-F236 AromaticContact CE1-CD2 3.4Å; F113-F236 HydrophobicContact CE1-CD2 3.4Å; F113-F236 VanDerWaalsContact CE1-CD2 3.4Å; F113-F236 AromaticContact CE1-CE2 3.77Å; F113-F236 HydrophobicContact CE1-CE2 3.77Å; F113-F236 HydrophobicContact CE1-CG 4.26Å; F113-F236 HydrophobicContact CZ-CB 3.92Å; F113-F236 AromaticContact CZ-CD2 3.46Å; F113-F236 HydrophobicContact CZ-CD2 3.46Å; F113-F236 VanDerWaalsContact CZ-CD2 3.46Å; F113-F236 HydrophobicContact CZ-CE2 4.29Å; F113-F236 HydrophobicContact CZ-CG 4.01Å; F113-I239 HydrophobicContact CB-CG2 4.44Å; F113-I239 HydrophobicContact CD2-CB 4.26Å; F113-I239 HydrophobicContact CD2-CG1 3.97Å; F113-I239 HydrophobicContact CD2-CG2 4.33Å; F113-I239 HydrophobicContact CE2-CB 4.44Å; F113-I239 HydrophobicContact CE2-CG1 4.23Å; F113-I239 HydrophobicContact CG-CG2 4.21Å
114L88.1Confident86Confident6 Ų617.5 Ų17.53%0.03110%0.104CC..Hα-helixtrans-60.8-50.3174.5-178.767.6000110.7I110 Y111 L116 C117 Y118 K161 T164 L216 F219I110-L114 PolarHBondContact O-N 2.83Å; Y111-L114 PolarHBondContact O-N 2.86Å; Y111-L114 VanDerWaalsContact O-N 3.16Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L114-L116 PolarHBondContact O-N 3.16Å; L114-C117 WeakPolarHBondContact O-CB 3.5Å; L114-C117 PolarHBondContact O-N 3.36Å; L114-Y118 HydrophobicContact CD1-CD2 4.17Å; L114-Y118 HydrophobicContact CD1-CE2 3.78Å; L114-Y118 HydrophobicContact CD2-CE2 4.29Å; L114-Y118 HydrophobicContact CG-CD2 4.01Å; L114-Y118 HydrophobicContact CG-CE2 3.83Å; L114-Y118 WeakPolarHBondContact O-CD2 3.42Å; L114-Y118 PolarHBondContact O-N 2.92Å; L114-Y118 VanDerWaalsContact O-N 3.08Å; L114-K161 HydrophobicContact CD2-CB 4.44Å; L114-K161 HydrophobicContact CD2-CG 4.09Å; L114-T164 HydrophobicContact CB-CG2 4.4Å; L114-T164 HydrophobicContact CD2-CG2 4.01Å; L114-L216 HydrophobicContact CB-CD2 4.39Å; L114-L216 HydrophobicContact CD1-CD2 4.01Å; L114-F219 HydrophobicContact CD1-CD1 4.36Å; L114-F219 HydrophobicContact CD1-CG 4.37Å
115A87.7Confident85.1Confident8 Ų814.6 Ų14.67%0.0669%0.093CC..Hα-helixtrans-59.3-39.8179.400000112.3Y66 Y111 S112 C117 Y118 Q119Y66-A115 HydrophobicContact CD1-CB 3.69Å; Y66-A115 HydrophobicContact CD2-CB 4.39Å; Y66-A115 HydrophobicContact CE1-CB 3.45Å; Y66-A115 VanDerWaalsContact CE1-CB 3.45Å; Y66-A115 HydrophobicContact CE2-CB 4.2Å; Y66-A115 HydrophobicContact CG-CB 4.17Å; Y111-A115 HydrophobicContact CE1-CB 4.45Å; Y111-A115 WeakPolarHBondContact O-CB 3.22Å; Y111-A115 PolarHBondContact O-N 2.95Å; S112-A115 PolarHBondContact O-N 3.14Å; A115-C117 VanDerWaalsContact C-N 3.3Å; A115-C117 PolarHBondContact O-N 3.4Å; A115-Y118 WeakPolarHBondContact O-CB 3.18Å; A115-Y118 PolarHBondContact O-N 3.26Å; A115-Q119 WeakPolarHBondContact O-CG 3.41Å; A115-Q119 PolarHBondContact O-N 3.28Å
116L86.4Confident84.3Confident1 Ų117.9 Ų17.91%0.00511%0.107CC..Hα-helixtrans-58.6-42.4173.3179.761.8000111.9E63 I67 S112 F113 L114 Y118 Q119 Y120 F297E63-L116 HydrophobicContact CB-CD1 4.13Å; E63-L116 WeakPolarHBondContact O-CD1 3.35Å; I67-L116 HydrophobicContact CD1-CD1 4.35Å; I67-L116 HydrophobicContact CG1-CD1 3.82Å; I67-L116 HydrophobicContact CG1-CD2 3.7Å; I67-L116 HydrophobicContact CG1-CG 4.44Å; S112-L116 VanDerWaalsContact O-CB 3.3Å; S112-L116 WeakPolarHBondContact O-CB 3.4Å; S112-L116 PolarHBondContact O-N 3.44Å; F113-L116 PolarHBondContact O-N 2.85Å; L114-L116 VanDerWaalsContact C-N 3.3Å; L114-L116 PolarHBondContact O-N 3.16Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; L116-Y118 PolarHBondContact O-N 3.35Å; L116-Q119 PolarHBondContact O-N 3.27Å; L116-Y120 HydrophobicContact CD1-CD2 4.4Å; L116-Y120 HydrophobicContact CD1-CE1 4.08Å; L116-Y120 HydrophobicContact CD1-CE2 3.93Å; L116-Y120 HydrophobicContact CD2-CE2 3.93Å; L116-Y120 HydrophobicContact CG-CD2 4.09Å; L116-Y120 HydrophobicContact CG-CE2 3.66Å; L116-Y120 PolarHBondContact O-N 3.09Å; L116-F297 HydrophobicContact CD2-CD1 4.47Å; L116-F297 HydrophobicContact CD2-CE1 3.71Å; L116-F297 HydrophobicContact CD2-CZ 4.47Å
117C85.2Confident83.5Confident12 Ų1217.6 Ų17.68%0.08111%0.106CC..Hα-helixtrans-66.8-36.3178.6-59.80000112.2F113 L114 A115 Q119 Y120 L121 F219F113-C117 PolarHBondContact O-N 3.46Å; F113-C117 VanDerWaalsContact O-N 3.15Å; F113-C117 PolarHBondContact O-SG 2.69Å; L114-C117 WeakPolarHBondContact O-CB 3.5Å; L114-C117 PolarHBondContact O-N 3.36Å; A115-C117 VanDerWaalsContact C-N 3.3Å; A115-C117 PolarHBondContact O-N 3.4Å; C117-Q119 VanDerWaalsContact C-N 3.33Å; C117-Y120 PolarHBondContact O-N 3.22Å; C117-L121 WeakPolarHBondContact O-CD1 3.36Å; C117-L121 WeakPolarHBondContact O-CG 3.37Å; C117-L121 PolarHBondContact O-N 3.04Å; C117-F219 HydrophobicContact CB-CD1 4.49Å; C117-F219 HydrophobicContact CB-CE1 3.5Å; C117-F219 VanDerWaalsContact CB-CE1 3.5Å; C117-F219 HydrophobicContact CB-CZ 4.05Å
118Y84.9Confident82.4Confident12 Ų1218.6 Ų18.65%0.04711%0.11CC..Hα-helixtrans-61.7-42.1171.5-86.8-86.5000111.7L114 A115 L116 L121 G122 G123 E124 I127 L157 K161 F219L114-Y118 HydrophobicContact CD1-CD2 4.17Å; L114-Y118 HydrophobicContact CD1-CE2 3.78Å; L114-Y118 HydrophobicContact CD2-CE2 4.29Å; L114-Y118 HydrophobicContact CG-CD2 4.01Å; L114-Y118 HydrophobicContact CG-CE2 3.83Å; L114-Y118 WeakPolarHBondContact O-CD2 3.42Å; L114-Y118 PolarHBondContact O-N 2.92Å; L114-Y118 VanDerWaalsContact O-N 3.08Å; A115-Y118 WeakPolarHBondContact O-CB 3.18Å; A115-Y118 PolarHBondContact O-N 3.26Å; L116-Y118 VanDerWaalsContact C-N 3.33Å; L116-Y118 PolarHBondContact O-N 3.35Å; Y118-L121 PolarHBondContact O-N 2.86Å; Y118-G122 PolarHBondContact O-N 3.39Å; Y118-G123 PolarHBondContact O-N 3.21Å; Y118-E124 HydrophobicContact CD1-CG 3.74Å; Y118-E124 HydrophobicContact CE1-CG 3.8Å; Y118-I127 HydrophobicContact CD1-CD1 3.37Å; Y118-I127 HydrophobicContact CE1-CD1 3.8Å; Y118-I127 HydrophobicContact CG-CD1 4.2Å; Y118-L157 PolarHBondContact OH-O 3.45Å; Y118-K161 HydrophobicContact CE2-CD 4.44Å; Y118-F219 HydrophobicContact CD2-CE2 4.25Å; Y118-F219 HydrophobicContact CD2-CZ 4.24Å; Y118-F219 HydrophobicContact CE1-CE2 4.18Å; Y118-F219 HydrophobicContact CE2-CD2 4.34Å; Y118-F219 AromaticContact CE2-CE2 3.77Å; Y118-F219 HydrophobicContact CE2-CE2 3.77Å; Y118-F219 HydrophobicContact CE2-CZ 4.2Å; Y118-F219 AromaticContact CZ-CE2 3.74Å
119Q84.6Confident81.6Confident45 Ų4523.3 Ų23.321%0.2114%0.136CC..Hα-helixtrans-67.9-38.5178.5-65.6-63.58.700113E63 Y66 A115 L116 C117 L121 G122E63-Q119 HydrophobicContact CG-CB 4.44Å; Y66-Q119 HydrophobicContact CD2-CG 4.08Å; Y66-Q119 HydrophobicContact CE2-CG 3.75Å; A115-Q119 WeakPolarHBondContact O-CG 3.41Å; A115-Q119 PolarHBondContact O-N 3.28Å; L116-Q119 PolarHBondContact O-N 3.27Å; C117-Q119 VanDerWaalsContact C-N 3.33Å; Q119-L121 PolarHBondContact O-N 3.29Å; Q119-G122 PolarHBondContact O-N 3.3Å
120Y82.9Confident80.7Confident23 Ų2328.1 Ų28.19%0.0916%0.158CC..Hα-helixtrans-61.9-24.9174.9-76.4-32.8000114E63 L116 C117 G122 K235E63-Y120 HydrophobicContact CB-CE1 4.4Å; E63-Y120 HydrophobicContact CG-CD1 4.19Å; E63-Y120 HydrophobicContact CG-CE1 4.13Å; E63-Y120 WeakPolarHBondContact OE2-CE1 3.38Å; L116-Y120 HydrophobicContact CD1-CD2 4.4Å; L116-Y120 HydrophobicContact CD1-CE1 4.08Å; L116-Y120 HydrophobicContact CD1-CE2 3.93Å; L116-Y120 HydrophobicContact CD2-CE2 3.93Å; L116-Y120 HydrophobicContact CG-CD2 4.09Å; L116-Y120 HydrophobicContact CG-CE2 3.66Å; L116-Y120 PolarHBondContact O-N 3.09Å; C117-Y120 PolarHBondContact O-N 3.22Å; Y120-G122 VanDerWaalsContact C-N 3.31Å; Y120-K235 HydrophobicContact CE2-CD 4.2Å; Y120-K235 PolarHBondContact OH-NZ 2.87Å
121L80.8Confident79.8Confident22 Ų2227.7 Ų27.712%0.11516%0.156CC..THydrogen-bonded Turntrans-90.53175.5-64.7161.8000112.9C117 Y118 Q119 N126 I127 F219 T223 Q226 L227C117-L121 WeakPolarHBondContact O-CD1 3.36Å; C117-L121 WeakPolarHBondContact O-CG 3.37Å; C117-L121 PolarHBondContact O-N 3.04Å; Y118-L121 PolarHBondContact O-N 2.86Å; Q119-L121 PolarHBondContact O-N 3.29Å; L121-N126 WeakPolarHBondContact O-CB 3.13Å; L121-I127 HydrophobicContact CB-CD1 3.65Å; L121-I127 HydrophobicContact CB-CG1 3.25Å; L121-I127 HydrophobicContact CD1-CD1 3.62Å; L121-I127 HydrophobicContact CD1-CG1 3.72Å; L121-I127 HydrophobicContact CG-CD1 4.27Å; L121-I127 HydrophobicContact CG-CG1 4.04Å; L121-F219 HydrophobicContact CD1-CE1 4.4Å; L121-F219 HydrophobicContact CD1-CE2 4.46Å; L121-F219 HydrophobicContact CD1-CZ 3.7Å; L121-T223 HydrophobicContact CD1-CG2 3.49Å; L121-T223 VanDerWaalsContact CD1-CG2 3.49Å; L121-Q226 HydrophobicContact CD2-CB 3.61Å; L121-L227 HydrophobicContact CD1-CD2 4.46Å; L121-L227 HydrophobicContact CD1-CG 4.47Å; L121-L227 HydrophobicContact CD2-CD2 3.74Å; L121-L227 HydrophobicContact CD2-CG 3.78Å; L121-L227 HydrophobicContact CG-CD2 3.77Å; L121-L227 HydrophobicContact CG-CG 4.13Å
122G75.6Confident78.8Confident39 Ų3932.4 Ų32.440%0.40219%0.186SC..THydrogen-bonded Turntrans82.322.4179.700000114.6Y118 Q119 Y120 N126Y118-G122 PolarHBondContact O-N 3.39Å; Q119-G122 PolarHBondContact O-N 3.3Å; Y120-G122 VanDerWaalsContact C-N 3.31Å; G122-N126 PolarHBondContact O-ND2 2.78Å
123G79.8Confident77.7Confident17 Ų1736.1 Ų36.118%0.17522%0.224CC..Hα-helixtrans92175.1178.500000114.3Y118 G125 I127Y118-G123 PolarHBondContact O-N 3.21Å; G123-G125 PolarHBondContact O-N 3.1Å; G123-I127 VanDerWaalsContact O-CD1 3.3Å; G123-I127 WeakPolarHBondContact O-CD1 3.27Å; G123-I127 WeakPolarHBondContact O-CG1 3.33Å; G123-I127 PolarHBondContact O-N 2.8Å
124E71.8Confident76.7Confident22 Ų2239.7 Ų39.710%0.10324%0.239CC..Hα-helixtrans-63.9-41.6-173.5-59.9-163169.900112.9Y118 M128 K161Y118-E124 HydrophobicContact CD1-CG 3.74Å; Y118-E124 HydrophobicContact CE1-CG 3.8Å; E124-M128 WeakPolarHBondContact O-CG 3.29Å; E124-M128 PolarHBondContact O-N 2.91Å; E124-M128 VanDerWaalsContact O-N 3.11Å; E124-K161 IonicContact OE1-NZ 2.68Å; E124-K161 PolarHBondContact OE1-NZ 3.1Å
125G71.1Confident75.4Confident13 Ų1343.7 Ų43.713%0.13426%0.264CS..Hα-helixtrans-60.9-47.3177.300000114.3G123 I127 M128 L129 D376G123-G125 PolarHBondContact O-N 3.1Å; G125-I127 VanDerWaalsContact C-N 3.35Å; G125-I127 PolarHBondContact O-N 2.64Å; G125-M128 PolarHBondContact O-N 3.04Å; G125-M128 VanDerWaalsContact O-N 3.12Å; G125-L129 WeakPolarHBondContact O-CG 3.45Å; G125-L129 PolarHBondContact O-N 3.38Å; G125-D376 PolarHBondContact N-OD1 3.45Å
126N74.9Confident74.1Confident90 Ų9044.5 Ų44.548%0.48127%0.267SS..Hα-helixtrans-66.8-37.2-179.1-78.3-22.3000112.3L121 G122 M128 L129 E130L121-N126 WeakPolarHBondContact O-CB 3.13Å; G122-N126 PolarHBondContact O-ND2 2.78Å; N126-M128 VanDerWaalsContact C-N 3.3Å; N126-M128 PolarHBondContact O-N 2.65Å; N126-L129 PolarHBondContact O-N 3.26Å; N126-E130 VanDerWaalsContact O-CB 3.31Å; N126-E130 WeakPolarHBondContact O-CB 3.31Å; N126-E130 PolarHBondContact O-N 3.33Å
127I72.3Confident72.5Confident0 Ų051.1 Ų51.10%030%0.303CS..Hα-helixtrans-57.6-47.2171.4-66.5166.6000109.5Y118 L121 G123 G125 L129 E130 L131 L157Y118-I127 HydrophobicContact CD1-CD1 3.37Å; Y118-I127 HydrophobicContact CE1-CD1 3.8Å; Y118-I127 HydrophobicContact CG-CD1 4.2Å; L121-I127 HydrophobicContact CB-CD1 3.65Å; L121-I127 HydrophobicContact CB-CG1 3.25Å; L121-I127 HydrophobicContact CD1-CD1 3.62Å; L121-I127 HydrophobicContact CD1-CG1 3.72Å; L121-I127 HydrophobicContact CG-CD1 4.27Å; L121-I127 HydrophobicContact CG-CG1 4.04Å; G123-I127 VanDerWaalsContact O-CD1 3.3Å; G123-I127 WeakPolarHBondContact O-CD1 3.27Å; G123-I127 WeakPolarHBondContact O-CG1 3.33Å; G123-I127 PolarHBondContact O-N 2.8Å; G125-I127 VanDerWaalsContact C-N 3.35Å; G125-I127 PolarHBondContact O-N 2.64Å; I127-L129 PolarHBondContact O-N 2.93Å; I127-E130 PolarHBondContact O-N 3.36Å; I127-L131 HydrophobicContact CB-CD1 4.3Å; I127-L131 HydrophobicContact CG2-CD1 3.31Å; I127-L131 WeakPolarHBondContact O-CB 3.37Å; I127-L131 WeakPolarHBondContact O-CD1 3.5Å; I127-L131 PolarHBondContact O-N 2.91Å; I127-L157 HydrophobicContact CB-CD1 4.35Å; I127-L157 HydrophobicContact CG2-CD1 3.39Å; I127-L157 HydrophobicContact CG2-CD2 4.24Å; I127-L157 HydrophobicContact CG2-CG 4.46Å
128M68.8Low70.8Confident25 Ų2557.6 Ų57.612%0.12333%0.33CS..Hα-helixtrans-64.3-43.2-179.7-69-79.674.500112.9E124 G125 N126 E130 L131 T132 I154 L157E124-M128 WeakPolarHBondContact O-CG 3.29Å; E124-M128 PolarHBondContact O-N 2.91Å; E124-M128 VanDerWaalsContact O-N 3.11Å; G125-M128 PolarHBondContact O-N 3.04Å; G125-M128 VanDerWaalsContact O-N 3.12Å; N126-M128 VanDerWaalsContact C-N 3.3Å; N126-M128 PolarHBondContact O-N 2.65Å; M128-E130 VanDerWaalsContact C-N 3.3Å; M128-E130 PolarHBondContact O-N 2.98Å; M128-L131 HydrophobicContact CE-CB 4.4Å; M128-L131 PolarHBondContact O-N 3.33Å; M128-T132 WeakPolarHBondContact O-CB 3.23Å; M128-T132 PolarHBondContact O-N 2.89Å; M128-T132 PolarHBondContact O-OG1 3.45Å; M128-I154 HydrophobicContact CG-CD1 3.86Å; M128-I154 WeakPolarHBondContact SD-CA 3.19Å; M128-I154 HydrophobicContact SD-CB 3.54Å; M128-I154 VanDerWaalsContact SD-CB 3.54Å; M128-I154 HydrophobicContact SD-CD1 3.55Å; M128-I154 VanDerWaalsContact SD-CD1 3.55Å; M128-I154 HydrophobicContact SD-CG1 4.14Å; M128-I154 PolarHBondContact SD-N 3.18Å; M128-L157 HydrophobicContact CE-CD1 3.27Å; M128-L157 HydrophobicContact CE-CG 4.02Å; M128-L157 HydrophobicContact CG-CD1 4.33Å; M128-L157 HydrophobicContact SD-CD1 3.98Å
129L72.2Confident69.3Low131 Ų13158.6 Ų58.669%0.68634%0.339SS*.Hα-helixtrans-59.5-41.8174.9-68.2173.9000111.9G125 N126 I127G125-L129 WeakPolarHBondContact O-CG 3.45Å; G125-L129 PolarHBondContact O-N 3.38Å; N126-L129 PolarHBondContact O-N 3.26Å; I127-L129 PolarHBondContact O-N 2.93Å
130E71.1Confident67.5Low101 Ų10163.2 Ų63.247%0.47236%0.364SS..Hα-helixtrans-78.2-25.5-176.9-172.759.1-14400113.6N126 I127 M128 K134 Q226N126-E130 VanDerWaalsContact O-CB 3.31Å; N126-E130 WeakPolarHBondContact O-CB 3.31Å; N126-E130 PolarHBondContact O-N 3.33Å; I127-E130 PolarHBondContact O-N 3.36Å; M128-E130 VanDerWaalsContact C-N 3.3Å; M128-E130 PolarHBondContact O-N 2.98Å; E130-K134 WeakPolarHBondContact O-CD 3.38Å; E130-K134 WeakPolarHBondContact O-CE 3.39Å; E130-K134 PolarHBondContact O-NZ 2.73Å; E130-K134 IonicContact OE1-NZ 2.65Å; E130-K134 PolarHBondContact OE1-NZ 3.09Å; E130-Q226 HydrophobicContact CG-CG 3.82Å
131L70.5Confident66Low0 Ų068.9 Ų68.90%040%0.395CS..Hα-helixtrans-91.3-15.4174.7-7999.6000113.4I127 M128 G133 K134 Y152 A222I127-L131 HydrophobicContact CB-CD1 4.3Å; I127-L131 HydrophobicContact CG2-CD1 3.31Å; I127-L131 WeakPolarHBondContact O-CB 3.37Å; I127-L131 WeakPolarHBondContact O-CD1 3.5Å; I127-L131 PolarHBondContact O-N 2.91Å; M128-L131 HydrophobicContact CE-CB 4.4Å; M128-L131 PolarHBondContact O-N 3.33Å; L131-G133 PolarHBondContact O-N 3.5Å; L131-K134 PolarHBondContact O-N 2.88Å; L131-Y152 HydrophobicContact CB-CD2 4.22Å; L131-Y152 HydrophobicContact CB-CG 4.05Å; L131-Y152 HydrophobicContact CD2-CD1 3.27Å; L131-Y152 HydrophobicContact CD2-CD2 3.65Å; L131-Y152 HydrophobicContact CD2-CE1 3.69Å; L131-Y152 HydrophobicContact CD2-CE2 4.05Å; L131-Y152 HydrophobicContact CD2-CG 3.26Å; L131-Y152 HydrophobicContact CG-CD2 4.25Å; L131-Y152 HydrophobicContact CG-CG 4.14Å; L131-A222 HydrophobicContact CD2-CB 4.24Å
132T68.7Low65Low103 Ų10373.2 Ų73.263%0.63241%0.411SS*.THydrogen-bonded Turntrans-58.7121.3175.1-64.10000109.8M128M128-T132 WeakPolarHBondContact O-CB 3.23Å; M128-T132 PolarHBondContact O-N 2.89Å; M128-T132 PolarHBondContact O-OG1 3.45Å
133G65.6Low64.2Low78 Ų7875.1 Ų75.180%0.80442%0.418SS*.THydrogen-bonded Turntrans89.3-7.5-178.600000115.8L131L131-G133 PolarHBondContact O-N 3.5Å
134K67.1Low63.3Low85 Ų8575 Ų7537%0.3741%0.414SS..  trans-88.1141.5171.6-67.9175-174.31520110.3E130 L131 Y152E130-K134 WeakPolarHBondContact O-CD 3.38Å; E130-K134 WeakPolarHBondContact O-CE 3.39Å; E130-K134 PolarHBondContact O-NZ 2.73Å; E130-K134 IonicContact OE1-NZ 2.65Å; E130-K134 PolarHBondContact OE1-NZ 3.09Å; L131-K134 PolarHBondContact O-N 2.88Å; K134-Y152 HydrophobicContact CB-CD2 3.78Å; K134-Y152 HydrophobicContact CB-CE2 3.92Å; K134-Y152 WeakPolarHBondContact O-CD2 3.43Å
135T60.7Low62.6Low90 Ų9078.2 Ų78.255%0.55244%0.437SS*.BIsolated β-bridgetrans-104146.3176.454.50000111.2N137T135-N137 PolarHBondContact O-N 3.41Å
136I61.8Low62Low26 Ų2682.5 Ų82.513%0.13346%0.464CS..PPolyproline II helixtrans-67.9120.4176.7-59168.7000109.6K150 Y152I136-K150 WeakPolarHBondContact CD1-O 3.44Å; I136-Y152 HydrophobicContact CG1-CD1 3.97Å; I136-Y152 HydrophobicContact CG1-CE1 3.7Å; I136-Y152 HydrophobicContact CG1-CE2 4.35Å; I136-Y152 HydrophobicContact CG1-CG 4.41Å
137N51.3Low61.2Low139 Ų13980.9 Ų80.974%0.74345%0.453SS*.PPolyproline II helixtrans-76.4133.4173.4-75.4-26.7000111.5T135T135-N137 PolarHBondContact O-N 3.41Å
138F50Low59.9Low148 Ų14883.5 Ų83.565%0.64948%0.475SS*.PPolyproline II helixtrans-61.7134.4-179.1170.2-94.8000113.2L140F138-L140 HydrophobicContact CE1-CB 4.24Å; F138-L140 HydrophobicContact CE2-CB 4.48Å; F138-L140 HydrophobicContact CZ-CB 3.81Å; F138-L140 HydrophobicContact CZ-CD1 4.22Å
139S53Low59.1Low34 Ų3485.3 Ų85.324%0.23850%0.5CS..  trans-148.9112.5156.2-176.90000111.7L141 Y142 T144S139-L141 PolarHBondContact O-N 2.98Å; S139-Y142 PolarHBondContact O-N 3.27Å; S139-Y142 WeakPolarHBondContact OG-CD2 3.49Å; S139-Y142 WeakPolarHBondContact OG-CE2 3.39Å; S139-T144 PolarHBondContact O-OG1 2.93Å
140L47.8Very low58.4Low141 Ų14184.8 Ų84.874%0.73849%0.492SS*.G310 helixtrans-60.3-27.4175.9-169.4128.8000112.6F138 Y142F138-L140 HydrophobicContact CE1-CB 4.24Å; F138-L140 HydrophobicContact CE2-CB 4.48Å; F138-L140 HydrophobicContact CZ-CB 3.81Å; F138-L140 HydrophobicContact CZ-CD1 4.22Å; L140-Y142 PolarHBondContact O-N 3.26Å
141L51.6Low57.9Low143 Ų14383.7 Ų83.775%0.74949%0.494SS*.G310 helixtrans-64.8-19.1178.1-82.3166.2000113.8S139S139-L141 PolarHBondContact O-N 2.98Å
142Y59.2Low57.7Low113 Ų11385.3 Ų85.344%0.44350%0.5SS..G310 helixtrans-119.416.5-172.4-53.6-60.9000113.7S139 L140 T144 F221S139-Y142 PolarHBondContact O-N 3.27Å; S139-Y142 WeakPolarHBondContact OG-CD2 3.49Å; S139-Y142 WeakPolarHBondContact OG-CE2 3.39Å; L140-Y142 PolarHBondContact O-N 3.26Å; Y142-T144 PolarHBondContact O-N 3.22Å; Y142-T144 VanDerWaalsContact O-N 3.16Å; Y142-F221 HydrophobicContact CD1-CE2 4.39Å; Y142-F221 HydrophobicContact CD1-CZ 4.44Å; Y142-F221 HydrophobicContact CD2-CE2 4.2Å; Y142-F221 HydrophobicContact CD2-CZ 4.15Å; Y142-F221 HydrophobicContact CE1-CZ 4.46Å; Y142-F221 HydrophobicContact CE2-CZ 4.2Å; Y142-F221 HydrophobicContact CG-CE2 4.06Å; Y142-F221 HydrophobicContact CG-CZ 4.3Å
143S58.3Low57.8Low78 Ų7883.4 Ų83.455%0.54549%0.488SS..THydrogen-bonded Turntrans56.329.2175.5-139.90000114.9C145S143-C145 PolarHBondContact O-N 3.16Å; S143-C145 VanDerWaalsContact O-N 3.11Å
144T60.9Low58.3Low15 Ų1581.6 Ų81.69%0.09246%0.46CS..G310 helixtrans-77.117171.562.10000112.6S139 Y142 C146 F147 A148 L218S139-T144 PolarHBondContact O-OG1 2.93Å; Y142-T144 PolarHBondContact O-N 3.22Å; Y142-T144 VanDerWaalsContact O-N 3.16Å; T144-C146 PolarHBondContact O-N 3.32Å; T144-F147 PolarHBondContact O-N 3.21Å; T144-F147 VanDerWaalsContact O-N 3.09Å; T144-A148 PolarHBondContact O-N 3.33Å; T144-L218 HydrophobicContact CG2-CD2 3.94Å
145C57.3Low58.9Low89 Ų8982.9 Ų82.960%0.60147%0.47SS*.G310 helixtrans-58.3-34.2-174.859.40000112.5S143S143-C145 PolarHBondContact O-N 3.16Å; S143-C145 VanDerWaalsContact O-N 3.11Å
146C58.5Low59.9Low103 Ų10379.3 Ų79.370%0.69645%0.447SS*.G310 helixtrans-77.9-15.5-179.8-58.40000114.5T144T144-C146 PolarHBondContact O-N 3.32Å
147F57.8Low60.9Low56 Ų5678.3 Ų78.325%0.24644%0.442CS..G310 helixtrans-113.16.7-177.1-69.5-75.9000113.5T144 G149 K150 F159T144-F147 PolarHBondContact O-N 3.21Å; T144-F147 VanDerWaalsContact O-N 3.09Å; F147-G149 PolarHBondContact O-N 3.11Å; F147-K150 PolarHBondContact O-N 3.09Å; F147-F159 HydrophobicContact CE2-CE1 4.45Å; F147-F159 HydrophobicContact CZ-CD1 4.41Å; F147-F159 HydrophobicContact CZ-CE1 4.42Å
148A45.4Very low62.5Low56 Ų5673.6 Ų73.646%0.46341%0.414SS..THydrogen-bonded Turntrans-58.1127.4-176.600000112.2T144 K150T144-A148 PolarHBondContact O-N 3.33Å; A148-K150 VanDerWaalsContact C-N 3.29Å; A148-K150 PolarHBondContact O-N 3.21Å
149G52.2Low64.2Low62 Ų6270 Ų7064%0.63940%0.398SS*.THydrogen-bonded Turntrans78.5-2173.900000116.2F147F147-G149 PolarHBondContact O-N 3.11Å
150K58.8Low65.9Low120 Ų12068.4 Ų68.452%0.52239%0.386SS..  trans-73.4139.9173-72.7-177.5178.9-750110.2I136 F147 A148I136-K150 WeakPolarHBondContact CD1-O 3.44Å; F147-K150 PolarHBondContact O-N 3.09Å; A148-K150 VanDerWaalsContact C-N 3.29Å; A148-K150 PolarHBondContact O-N 3.21Å
151P59.3Low67.8Low79 Ų7962 Ų6251%0.51335%0.353SS..BIsolated β-bridgetrans-60.3156169.827.8-33.9000109.5T153P151-T153 VanDerWaalsContact C-N 3.32Å; P151-T153 PolarHBondContact O-N 3.26Å; P151-T153 PolarHBondContact O-OG1 3.49Å
152Y66.1Low69.6Low34 Ų3457.4 Ų57.413%0.13333%0.329CS..  trans-64.895.4169.6-74.3-71.9000110L131 K134 I136 F156 A222L131-Y152 HydrophobicContact CB-CD2 4.22Å; L131-Y152 HydrophobicContact CB-CG 4.05Å; L131-Y152 HydrophobicContact CD2-CD1 3.27Å; L131-Y152 HydrophobicContact CD2-CD2 3.65Å; L131-Y152 HydrophobicContact CD2-CE1 3.69Å; L131-Y152 HydrophobicContact CD2-CE2 4.05Å; L131-Y152 HydrophobicContact CD2-CG 3.26Å; L131-Y152 HydrophobicContact CG-CD2 4.25Å; L131-Y152 HydrophobicContact CG-CG 4.14Å; K134-Y152 HydrophobicContact CB-CD2 3.78Å; K134-Y152 HydrophobicContact CB-CE2 3.92Å; K134-Y152 WeakPolarHBondContact O-CD2 3.43Å; I136-Y152 HydrophobicContact CG1-CD1 3.97Å; I136-Y152 HydrophobicContact CG1-CE1 3.7Å; I136-Y152 HydrophobicContact CG1-CE2 4.35Å; I136-Y152 HydrophobicContact CG1-CG 4.41Å; Y152-F156 HydrophobicContact CD1-CD1 4.22Å; Y152-F156 HydrophobicContact CD1-CE1 4.35Å; Y152-F156 HydrophobicContact CE1-CE1 4.37Å; Y152-A222 HydrophobicContact CD1-CB 4.1Å; Y152-A222 HydrophobicContact CE1-CB 3.37Å
153T71.8Confident71.1Confident62 Ų6252.3 Ų52.338%0.3831%0.309SS..  trans-89.9153.2177.7-43.80000110.7P151 L155 F156P151-T153 VanDerWaalsContact C-N 3.32Å; P151-T153 PolarHBondContact O-N 3.26Å; P151-T153 PolarHBondContact O-OG1 3.49Å; T153-L155 HydrophobicContact CG2-CB 4.02Å; T153-L155 PolarHBondContact O-N 3.19Å; T153-L155 VanDerWaalsContact O-N 3.13Å; T153-F156 WeakPolarHBondContact O-CB 3.48Å; T153-F156 PolarHBondContact O-N 2.93Å
154I76.4Confident72.7Confident40 Ų4048.6 Ų48.621%0.20528%0.284CS..Hα-helixtrans-49.9-35.3167.1-174.464.3000112.5M128 F156 L157 R158M128-I154 HydrophobicContact CG-CD1 3.86Å; M128-I154 WeakPolarHBondContact SD-CA 3.19Å; M128-I154 HydrophobicContact SD-CB 3.54Å; M128-I154 VanDerWaalsContact SD-CB 3.54Å; M128-I154 HydrophobicContact SD-CD1 3.55Å; M128-I154 VanDerWaalsContact SD-CD1 3.55Å; M128-I154 HydrophobicContact SD-CG1 4.14Å; M128-I154 PolarHBondContact SD-N 3.18Å; I154-F156 VanDerWaalsContact C-N 3.29Å; I154-F156 PolarHBondContact O-N 3.12Å; I154-L157 PolarHBondContact O-N 2.88Å; I154-R158 WeakPolarHBondContact O-CB 3.4Å; I154-R158 PolarHBondContact O-N 3.34Å
155L78.1Confident74Confident112 Ų11248 Ų4859%0.58628%0.28SS*.Hα-helixtrans-61.2-34.9176.4-172.966000113T153 F159T153-L155 HydrophobicContact CG2-CB 4.02Å; T153-L155 PolarHBondContact O-N 3.19Å; T153-L155 VanDerWaalsContact O-N 3.13Å; L155-F159 WeakPolarHBondContact O-CB 3.48Å; L155-F159 PolarHBondContact O-N 3.43Å
156F83.5Confident75.7Confident16 Ų1644.7 Ų44.77%0.0726%0.256CS..Hα-helixtrans-68.9-46178.5170.3-92.5000111.3Y152 T153 I154 R158 F159 C160 L218 A222Y152-F156 HydrophobicContact CD1-CD1 4.22Å; Y152-F156 HydrophobicContact CD1-CE1 4.35Å; Y152-F156 HydrophobicContact CE1-CE1 4.37Å; T153-F156 WeakPolarHBondContact O-CB 3.48Å; T153-F156 PolarHBondContact O-N 2.93Å; I154-F156 VanDerWaalsContact C-N 3.29Å; I154-F156 PolarHBondContact O-N 3.12Å; F156-R158 VanDerWaalsContact C-N 3.31Å; F156-R158 PolarHBondContact O-N 3.16Å; F156-F159 WeakPolarHBondContact O-CB 3.31Å; F156-F159 PolarHBondContact O-N 2.89Å; F156-C160 PolarHBondContact O-N 3.47Å; F156-C160 PolarHBondContact O-SG 3.44Å; F156-L218 HydrophobicContact CE2-CB 4.24Å; F156-L218 HydrophobicContact CE2-CD1 4.26Å; F156-L218 HydrophobicContact CE2-CD2 4.4Å; F156-L218 HydrophobicContact CZ-CB 3.88Å; F156-A222 HydrophobicContact CE1-CB 3.61Å; F156-A222 HydrophobicContact CZ-CB 4.23Å
157L82.8Confident77.3Confident5 Ų540 Ų403%0.02622%0.223CC..Hα-helixtrans-61.8-43.3175-70.4179.5000111.1Y118 I127 M128 I154 F159 C160 K161 F219Y118-L157 PolarHBondContact OH-O 3.45Å; I127-L157 HydrophobicContact CB-CD1 4.35Å; I127-L157 HydrophobicContact CG2-CD1 3.39Å; I127-L157 HydrophobicContact CG2-CD2 4.24Å; I127-L157 HydrophobicContact CG2-CG 4.46Å; M128-L157 HydrophobicContact CE-CD1 3.27Å; M128-L157 HydrophobicContact CE-CG 4.02Å; M128-L157 HydrophobicContact CG-CD1 4.33Å; M128-L157 HydrophobicContact SD-CD1 3.98Å; I154-L157 PolarHBondContact O-N 2.88Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 3.44Å; L157-C160 PolarHBondContact O-N 2.9Å; L157-K161 WeakPolarHBondContact O-CB 3.41Å; L157-K161 PolarHBondContact O-N 3.5Å; L157-F219 HydrophobicContact CD2-CD2 3.93Å; L157-F219 HydrophobicContact CD2-CE2 4.05Å
158R83.1Confident78.9Confident40 Ų4037.7 Ų37.715%0.15121%0.214CC..Hα-helixtrans-60.4-42.6175.4-173.8176.1179.8-1761.7112I154 F156 C160 K161 I162 N422I154-R158 WeakPolarHBondContact O-CB 3.4Å; I154-R158 PolarHBondContact O-N 3.34Å; F156-R158 VanDerWaalsContact C-N 3.31Å; F156-R158 PolarHBondContact O-N 3.16Å; R158-C160 VanDerWaalsContact C-N 3.35Å; R158-C160 PolarHBondContact O-N 2.9Å; R158-K161 PolarHBondContact O-N 3.09Å; R158-I162 HydrophobicContact CG-CD1 3.71Å; R158-I162 HydrophobicContact CG-CG1 4.24Å; R158-I162 WeakPolarHBondContact O-CB 3.48Å; R158-I162 VanDerWaalsContact O-CG1 3.31Å; R158-I162 WeakPolarHBondContact O-CG1 3.38Å; R158-I162 PolarHBondContact O-N 3.32Å; R158-N422 PolarHBondContact NH2-O 3.21Å
159F87.5Confident81.1Confident72 Ų7238.4 Ų38.432%0.31621%0.209SC..Hα-helixtrans-58.9-46.8174.9173.3-97.5000111.3F147 L155 F156 L157 K161 I162 A163 Y214 L218F147-F159 HydrophobicContact CE2-CE1 4.45Å; F147-F159 HydrophobicContact CZ-CD1 4.41Å; F147-F159 HydrophobicContact CZ-CE1 4.42Å; L155-F159 WeakPolarHBondContact O-CB 3.48Å; L155-F159 PolarHBondContact O-N 3.43Å; F156-F159 WeakPolarHBondContact O-CB 3.31Å; F156-F159 PolarHBondContact O-N 2.89Å; L157-F159 VanDerWaalsContact C-N 3.33Å; L157-F159 PolarHBondContact O-N 3.44Å; F159-K161 VanDerWaalsContact C-N 3.31Å; F159-K161 PolarHBondContact O-N 3.21Å; F159-I162 PolarHBondContact O-N 2.89Å; F159-A163 WeakPolarHBondContact O-CB 3.45Å; F159-A163 PolarHBondContact O-N 3.49Å; F159-Y214 HydrophobicContact CE1-CD1 4.49Å; F159-Y214 HydrophobicContact CE1-CE1 4.1Å; F159-Y214 HydrophobicContact CZ-CE1 4.4Å; F159-L218 HydrophobicContact CD1-CD1 4.2Å; F159-L218 HydrophobicContact CE1-CD1 3.82Å
160C87.2Confident83Confident0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-61.4-41.4177.7-61.50000111.9F156 L157 R158 T164 G215 L218 F219F156-C160 PolarHBondContact O-N 3.47Å; F156-C160 PolarHBondContact O-SG 3.44Å; L157-C160 PolarHBondContact O-N 2.9Å; R158-C160 VanDerWaalsContact C-N 3.35Å; R158-C160 PolarHBondContact O-N 2.9Å; C160-T164 PolarHBondContact O-N 3.23Å; C160-T164 VanDerWaalsContact O-N 3.08Å; C160-T164 PolarHBondContact O-OG1 3.44Å; C160-G215 WeakPolarHBondContact CB-O 3.43Å; C160-L218 VanDerWaalsContact SG-CB 3.6Å; C160-F219 HydrophobicContact CB-CB 3.98Å
161K87.4Confident84.5Confident6 Ų633.2 Ų33.23%0.02617%0.171CC..Hα-helixtrans-64-51.6177.5-172.2168.4-179.5179.60111.8L114 Y118 E124 L157 R158 F159 A163 T164 L165 D418 N422L114-K161 HydrophobicContact CD2-CB 4.44Å; L114-K161 HydrophobicContact CD2-CG 4.09Å; Y118-K161 HydrophobicContact CE2-CD 4.44Å; E124-K161 IonicContact OE1-NZ 2.68Å; E124-K161 PolarHBondContact OE1-NZ 3.1Å; L157-K161 WeakPolarHBondContact O-CB 3.41Å; L157-K161 PolarHBondContact O-N 3.5Å; R158-K161 PolarHBondContact O-N 3.09Å; F159-K161 VanDerWaalsContact C-N 3.31Å; F159-K161 PolarHBondContact O-N 3.21Å; K161-A163 PolarHBondContact O-N 3.39Å; K161-T164 PolarHBondContact O-N 2.9Å; K161-T164 VanDerWaalsContact O-N 3.16Å; K161-L165 VanDerWaalsContact O-CB 3.26Å; K161-L165 WeakPolarHBondContact O-CB 3.4Å; K161-L165 PolarHBondContact O-N 3.22Å; K161-D418 WeakPolarHBondContact CE-OD1 3.03Å; K161-D418 WeakPolarHBondContact CE-OD2 3.22Å; K161-D418 VanDerWaalsContact NZ-CG 3.34Å; K161-D418 IonicContact NZ-OD1 3.24Å; K161-D418 PolarHBondContact NZ-OD1 3.48Å; K161-D418 IonicContact NZ-OD2 2.94Å; K161-D418 PolarHBondContact NZ-OD2 3.31Å; K161-N422 WeakPolarHBondContact CE-ND2 3.36Å
162I90.7Very high86.1Confident48 Ų4830.6 Ų30.625%0.24615%0.154CC..Hα-helixtrans-60.7-43.9176.2-69.2172.1000111.3R158 F159 T164 L165 Q166 N422 F423R158-I162 HydrophobicContact CG-CD1 3.71Å; R158-I162 HydrophobicContact CG-CG1 4.24Å; R158-I162 WeakPolarHBondContact O-CB 3.48Å; R158-I162 VanDerWaalsContact O-CG1 3.31Å; R158-I162 WeakPolarHBondContact O-CG1 3.38Å; R158-I162 PolarHBondContact O-N 3.32Å; F159-I162 PolarHBondContact O-N 2.89Å; I162-T164 PolarHBondContact O-N 3.02Å; I162-L165 PolarHBondContact O-N 3.26Å; I162-Q166 WeakPolarHBondContact O-CG 3.48Å; I162-Q166 PolarHBondContact O-N 3.2Å; I162-N422 HydrophobicContact CG1-CB 4.05Å; I162-F423 HydrophobicContact CG2-CE1 3.89Å; I162-F423 HydrophobicContact CG2-CZ 4.24Å
163A91.3Very high87.4Confident5 Ų534 Ų344%0.04117%0.173CC..Hα-helixtrans-61.6-29.3178.500000112.4F159 K161 Q166 L211 A212F159-A163 WeakPolarHBondContact O-CB 3.45Å; F159-A163 PolarHBondContact O-N 3.49Å; K161-A163 PolarHBondContact O-N 3.39Å; A163-Q166 WeakPolarHBondContact O-CG 3.48Å; A163-Q166 PolarHBondContact O-NE2 3.28Å; A163-L211 HydrophobicContact CB-CD1 4.22Å; A163-L211 HydrophobicContact CB-CG 4.19Å; A163-A212 WeakPolarHBondContact O-CA 3.16Å
164T90.1Very high88.4Confident1 Ų131.4 Ų31.41%0.00616%0.158CC..Hα-helixtrans-83.6-43.2174.1-51.70000111.5I110 L114 C160 K161 I162 Q166 Y167 L216I110-T164 HydrophobicContact CG2-CG2 3.5Å; L114-T164 HydrophobicContact CB-CG2 4.4Å; L114-T164 HydrophobicContact CD2-CG2 4.01Å; C160-T164 PolarHBondContact O-N 3.23Å; C160-T164 VanDerWaalsContact O-N 3.08Å; C160-T164 PolarHBondContact O-OG1 3.44Å; K161-T164 PolarHBondContact O-N 2.9Å; K161-T164 VanDerWaalsContact O-N 3.16Å; I162-T164 PolarHBondContact O-N 3.02Å; T164-Q166 VanDerWaalsContact C-N 3.34Å; T164-Q166 PolarHBondContact O-N 2.83Å; T164-Y167 WeakPolarHBondContact O-CB 3.26Å; T164-Y167 PolarHBondContact O-N 3.47Å; T164-Y167 VanDerWaalsContact O-N 3.15Å; T164-L216 HydrophobicContact CG2-CD1 4.24Å; T164-L216 HydrophobicContact CG2-CD2 3.89Å; T164-L216 HydrophobicContact CG2-CG 3.88Å
165L89.7Confident89.1Confident2 Ų229.8 Ų29.81%0.0115%0.15CC..Hα-helixtrans-68.4-28.5-177-167.166.4000113.3Y111 K161 I162 Y167 T168 L169 I415 A419 N422 F423Y111-L165 HydrophobicContact CD2-CD1 3.77Å; Y111-L165 HydrophobicContact CE2-CD1 4.07Å; K161-L165 VanDerWaalsContact O-CB 3.26Å; K161-L165 WeakPolarHBondContact O-CB 3.4Å; K161-L165 PolarHBondContact O-N 3.22Å; I162-L165 PolarHBondContact O-N 3.26Å; L165-Y167 PolarHBondContact O-N 2.95Å; L165-T168 PolarHBondContact O-N 2.84Å; L165-T168 PolarHBondContact O-OG1 3.4Å; L165-L169 PolarHBondContact O-N 2.85Å; L165-I415 HydrophobicContact CD1-CG1 4.19Å; L165-A419 HydrophobicContact CD2-CB 4.08Å; L165-A419 HydrophobicContact CG-CB 4.44Å; L165-N422 HydrophobicContact CD2-CB 4.24Å; L165-F423 HydrophobicContact CD2-CE2 3.95Å; L165-F423 HydrophobicContact CG-CE2 4.15Å
166Q93Very high89.8Confident20 Ų2029 Ų299%0.09314%0.142CC..Hα-helixtrans-59-35.5172.261.781.534.800111.9I162 A163 T164 T168 L169 I170 T208 L211I162-Q166 WeakPolarHBondContact O-CG 3.48Å; I162-Q166 PolarHBondContact O-N 3.2Å; A163-Q166 WeakPolarHBondContact O-CG 3.48Å; A163-Q166 PolarHBondContact O-NE2 3.28Å; T164-Q166 VanDerWaalsContact C-N 3.34Å; T164-Q166 PolarHBondContact O-N 2.83Å; Q166-T168 VanDerWaalsContact C-N 3.32Å; Q166-T168 PolarHBondContact O-N 3.43Å; Q166-L169 PolarHBondContact O-N 2.83Å; Q166-I170 HydrophobicContact CB-CD1 4.25Å; Q166-I170 VanDerWaalsContact O-CB 3.3Å; Q166-I170 WeakPolarHBondContact O-CB 3.4Å; Q166-I170 VanDerWaalsContact O-CG1 3.25Å; Q166-I170 WeakPolarHBondContact O-CG1 2.79Å; Q166-I170 PolarHBondContact O-N 3.16Å; Q166-T208 PolarHBondContact NE2-O 2.84Å; Q166-T208 PolarHBondContact OE1-OG1 3.42Å; Q166-L211 HydrophobicContact CG-CD2 4.06Å
167Y91.6Very high90.2Very high4 Ų430.5 Ų30.52%0.01615%0.153CC..Hα-helixtrans-63.7-41.3178.4176-92.2000111.7E106 I110 T164 L165 L169 I170 K171 T208 V209 A212E106-Y167 HydrophobicContact CG-CE1 4.49Å; E106-Y167 PolarHBondContact OE1-OH 2.9Å; I110-Y167 HydrophobicContact CD1-CD1 3.53Å; I110-Y167 HydrophobicContact CD1-CE1 3.31Å; I110-Y167 HydrophobicContact CD1-CG 4.47Å; I110-Y167 HydrophobicContact CG1-CE1 4.46Å; T164-Y167 WeakPolarHBondContact O-CB 3.26Å; T164-Y167 PolarHBondContact O-N 3.47Å; T164-Y167 VanDerWaalsContact O-N 3.15Å; L165-Y167 PolarHBondContact O-N 2.95Å; Y167-L169 PolarHBondContact O-N 3.47Å; Y167-I170 PolarHBondContact O-N 3.45Å; Y167-K171 HydrophobicContact CE1-CB 4.2Å; Y167-K171 HydrophobicContact CE1-CG 4.34Å; Y167-K171 HydrophobicContact CE2-CB 4.12Å; Y167-K171 HydrophobicContact CE2-CD 4Å; Y167-K171 HydrophobicContact CE2-CG 4.28Å; Y167-K171 WeakPolarHBondContact O-CB 3.38Å; Y167-K171 PolarHBondContact O-N 3.48Å; Y167-K171 WeakPolarHBondContact OH-CD 3.06Å; Y167-K171 PolarHBondContact OH-NZ 3.33Å; Y167-T208 HydrophobicContact CD2-CG2 3.49Å; Y167-T208 VanDerWaalsContact CD2-CG2 3.49Å; Y167-T208 HydrophobicContact CE2-CG2 4.34Å; Y167-T208 HydrophobicContact CG-CG2 4.18Å; Y167-V209 HydrophobicContact CD2-CG2 4.13Å; Y167-V209 HydrophobicContact CE2-CB 4.49Å; Y167-V209 HydrophobicContact CE2-CG2 3.49Å; Y167-V209 VanDerWaalsContact CE2-CG2 3.49Å; Y167-A212 HydrophobicContact CD2-CB 4.4Å; Y167-A212 HydrophobicContact CG-CB 4.11Å
168T90.6Very high90.6Very high7 Ų730.7 Ų30.74%0.04316%0.155CC..Hα-helixtrans-69.8-20.1-175.767.50000112.8A107 L165 Q166 P172A107-T168 HydrophobicContact CB-CG2 4.3Å; A107-T168 WeakPolarHBondContact O-CG2 3.31Å; L165-T168 PolarHBondContact O-N 2.84Å; L165-T168 PolarHBondContact O-OG1 3.4Å; Q166-T168 VanDerWaalsContact C-N 3.32Å; Q166-T168 PolarHBondContact O-N 3.43Å; T168-P172 VanDerWaalsContact O-CD 3.25Å; T168-P172 WeakPolarHBondContact O-CD 3.39Å; T168-P172 WeakPolarHBondContact O-CG 3.32Å
169L91.4Very high90.9Very high71 Ų7131.3 Ų31.337%0.37216%0.16SC..Hα-helixtrans-93.6-45173.4-62.3179.6000112.2L165 Q166 Y167 P172 I173 A419 F423L165-L169 PolarHBondContact O-N 2.85Å; Q166-L169 PolarHBondContact O-N 2.83Å; Y167-L169 PolarHBondContact O-N 3.47Å; L169-P172 WeakPolarHBondContact O-CD 2.96Å; L169-I173 VanDerWaalsContact O-CD1 3.31Å; L169-I173 WeakPolarHBondContact O-CD1 3.48Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.3Å; L169-I173 PolarHBondContact O-N 2.81Å; L169-A419 HydrophobicContact CD1-CB 4.27Å; L169-F423 HydrophobicContact CD1-CD2 4.12Å; L169-F423 HydrophobicContact CD1-CE2 3.6Å; L169-F423 HydrophobicContact CD1-CZ 4.39Å
170I93.3Very high91Very high54 Ų5431.6 Ų31.628%0.27716%0.164SC..Hα-helixtrans-71.3-34.8-175.3-67.9174.3000111.4Q166 Y167 I173 T174 I204 T208Q166-I170 HydrophobicContact CB-CD1 4.25Å; Q166-I170 VanDerWaalsContact O-CB 3.3Å; Q166-I170 WeakPolarHBondContact O-CB 3.4Å; Q166-I170 VanDerWaalsContact O-CG1 3.25Å; Q166-I170 WeakPolarHBondContact O-CG1 2.79Å; Q166-I170 PolarHBondContact O-N 3.16Å; Y167-I170 PolarHBondContact O-N 3.45Å; I170-I173 PolarHBondContact O-N 3.08Å; I170-T174 HydrophobicContact CG2-CG2 3.77Å; I170-T174 WeakPolarHBondContact O-CB 3.25Å; I170-T174 WeakPolarHBondContact O-CG2 3.18Å; I170-T174 PolarHBondContact O-N 3.04Å; I170-T174 PolarHBondContact O-OG1 2.68Å; I170-I204 HydrophobicContact CG2-CG2 4.05Å; I170-T208 HydrophobicContact CB-CG2 4Å; I170-T208 HydrophobicContact CG2-CG2 3.93Å
171K90.2Very high91.1Very high19 Ų1933.7 Ų33.78%0.08318%0.175CC..Hα-helixtrans-62.5-50.2-178.5-173.674.6-179.6-61.90112.3D103 E106 Y167 I173 T174 S175D103-K171 HydrophobicContact CB-CG 3.91Å; D103-K171 VanDerWaalsContact CG-CE 3.49Å; D103-K171 WeakPolarHBondContact OD1-CE 3.19Å; D103-K171 IonicContact OD1-NZ 2.64Å; D103-K171 PolarHBondContact OD1-NZ 3.45Å; E106-K171 IonicContact OE1-NZ 2.68Å; E106-K171 IonicContact OE2-NZ 2.8Å; E106-K171 PolarHBondContact OE2-NZ 3.5Å; Y167-K171 HydrophobicContact CE1-CB 4.2Å; Y167-K171 HydrophobicContact CE1-CG 4.34Å; Y167-K171 HydrophobicContact CE2-CB 4.12Å; Y167-K171 HydrophobicContact CE2-CD 4Å; Y167-K171 HydrophobicContact CE2-CG 4.28Å; Y167-K171 WeakPolarHBondContact O-CB 3.38Å; Y167-K171 PolarHBondContact O-N 3.48Å; Y167-K171 WeakPolarHBondContact OH-CD 3.06Å; Y167-K171 PolarHBondContact OH-NZ 3.33Å; K171-I173 VanDerWaalsContact C-N 3.32Å; K171-I173 PolarHBondContact O-N 2.71Å; K171-T174 WeakPolarHBondContact CA-OG1 3.35Å; K171-T174 PolarHBondContact O-N 3.04Å; K171-T174 PolarHBondContact O-OG1 2.81Å; K171-S175 WeakPolarHBondContact O-CB 3.4Å; K171-S175 PolarHBondContact O-N 2.88Å
172P92.5Very high91Very high24 Ų2435.8 Ų35.816%0.15619%0.185CC..Hα-helixtrans-60.4-37.8172.3-25.935.2000113.8F100 I104 A107 T168 L169 S175 F176F100-P172 HydrophobicContact CE2-CB 4.18Å; I104-P172 HydrophobicContact CG1-CB 4.12Å; I104-P172 HydrophobicContact CG1-CG 4.04Å; A107-P172 HydrophobicContact CB-CG 4.37Å; T168-P172 VanDerWaalsContact O-CD 3.25Å; T168-P172 WeakPolarHBondContact O-CD 3.39Å; T168-P172 WeakPolarHBondContact O-CG 3.32Å; L169-P172 WeakPolarHBondContact O-CD 2.96Å; P172-S175 PolarHBondContact O-N 2.84Å; P172-F176 WeakPolarHBondContact O-CB 3.46Å; P172-F176 PolarHBondContact O-N 3.17Å
173I93.3Very high90.9Very high105 Ų10537.2 Ų37.254%0.53820%0.204SC..Hα-helixtrans-65.3-45.3179.4-67.9168000110.9L169 I170 K171 S175 F176 T177L169-I173 VanDerWaalsContact O-CD1 3.31Å; L169-I173 WeakPolarHBondContact O-CD1 3.48Å; L169-I173 VanDerWaalsContact O-CG1 3.24Å; L169-I173 WeakPolarHBondContact O-CG1 3.3Å; L169-I173 PolarHBondContact O-N 2.81Å; I170-I173 PolarHBondContact O-N 3.08Å; K171-I173 VanDerWaalsContact C-N 3.32Å; K171-I173 PolarHBondContact O-N 2.71Å; I173-S175 VanDerWaalsContact C-N 3.35Å; I173-F176 PolarHBondContact O-N 3.03Å; I173-T177 VanDerWaalsContact O-CB 3.3Å; I173-T177 WeakPolarHBondContact O-CB 3.42Å; I173-T177 PolarHBondContact O-N 3.16Å; I173-T177 PolarHBondContact O-OG1 3.09Å
174T92.5Very high90.7Very high9 Ų940.8 Ų40.86%0.05523%0.226CC..Hα-helixtrans-66.6-37.7178.549.90000111.6I170 K171 T177 S178 L201 I204 N205I170-T174 HydrophobicContact CG2-CG2 3.77Å; I170-T174 WeakPolarHBondContact O-CB 3.25Å; I170-T174 WeakPolarHBondContact O-CG2 3.18Å; I170-T174 PolarHBondContact O-N 3.04Å; I170-T174 PolarHBondContact O-OG1 2.68Å; K171-T174 WeakPolarHBondContact CA-OG1 3.35Å; K171-T174 PolarHBondContact O-N 3.04Å; K171-T174 PolarHBondContact O-OG1 2.81Å; T174-T177 WeakPolarHBondContact O-CB 3.24Å; T174-T177 PolarHBondContact O-N 3.49Å; T174-S178 PolarHBondContact O-N 3.29Å; T174-L201 HydrophobicContact CG2-CD2 4.2Å; T174-I204 HydrophobicContact CG2-CG2 3.77Å; T174-N205 WeakPolarHBondContact CB-OD1 3.23Å; T174-N205 PolarHBondContact OG1-OD1 3.48Å; T174-N205 VanDerWaalsContact OG1-OD1 3.05Å
175S92Very high90.4Very high5 Ų549.5 Ų49.54%0.03526%0.263CS..Hα-helixtrans-66.3-43.2174.1-159.40000113F100 D103 K171 P172 I173 T177 S178 M179F100-S175 VanDerWaalsContact CA-OG 3.26Å; F100-S175 WeakPolarHBondContact CA-OG 3.4Å; F100-S175 PolarHBondContact N-OG 3Å; D103-S175 WeakPolarHBondContact OD2-CB 3.3Å; D103-S175 PolarHBondContact OD2-OG 2.91Å; K171-S175 WeakPolarHBondContact O-CB 3.4Å; K171-S175 PolarHBondContact O-N 2.88Å; P172-S175 PolarHBondContact O-N 2.84Å; I173-S175 VanDerWaalsContact C-N 3.35Å; S175-T177 VanDerWaalsContact C-N 3.29Å; S175-T177 PolarHBondContact O-N 3.46Å; S175-S178 PolarHBondContact O-N 3.02Å; S175-S178 PolarHBondContact O-OG 3.48Å; S175-M179 PolarHBondContact O-N 3.39Å; S175-M179 VanDerWaalsContact O-N 3.11Å
176F92.5Very high90.1Very high95 Ų9556.7 Ų56.742%0.41730%0.295SS..Hα-helixtrans-64.8-37.8173.4-174.6-108.5000111.7F100 P172 I173 M179 I180F100-F176 HydrophobicContact CD2-CB 4.08Å; F100-F176 HydrophobicContact CE2-CB 3.93Å; F100-F176 HydrophobicContact CE2-CD2 4.44Å; P172-F176 WeakPolarHBondContact O-CB 3.46Å; P172-F176 PolarHBondContact O-N 3.17Å; I173-F176 PolarHBondContact O-N 3.03Å; F176-M179 HydrophobicContact CD2-CE 3.51Å; F176-M179 HydrophobicContact CE2-CE 3.44Å; F176-M179 VanDerWaalsContact CE2-CE 3.44Å; F176-M179 HydrophobicContact CZ-CE 4.46Å; F176-M179 PolarHBondContact O-N 3.17Å; F176-I180 HydrophobicContact CD1-CD1 3.8Å; F176-I180 HydrophobicContact CE1-CD1 3.35Å; F176-I180 HydrophobicContact CE1-CG1 4.34Å; F176-I180 HydrophobicContact CZ-CD1 3.82Å; F176-I180 HydrophobicContact CZ-CG1 4.46Å; F176-I180 PolarHBondContact O-N 3.37Å; F176-I180 VanDerWaalsContact O-N 3.13Å
177T92.6Very high89.6Confident49 Ų4957.1 Ų57.130%0.30130%0.296SS..Hα-helixtrans-65-43.3175.7-57.80000111I173 T174 S175 M179 I180 L181 L201I173-T177 VanDerWaalsContact O-CB 3.3Å; I173-T177 WeakPolarHBondContact O-CB 3.42Å; I173-T177 PolarHBondContact O-N 3.16Å; I173-T177 PolarHBondContact O-OG1 3.09Å; T174-T177 WeakPolarHBondContact O-CB 3.24Å; T174-T177 PolarHBondContact O-N 3.49Å; S175-T177 VanDerWaalsContact C-N 3.29Å; S175-T177 PolarHBondContact O-N 3.46Å; T177-M179 VanDerWaalsContact C-N 3.31Å; T177-M179 PolarHBondContact O-N 3.2Å; T177-I180 PolarHBondContact O-N 3.42Å; T177-L181 HydrophobicContact CG2-CD1 3.69Å; T177-L181 VanDerWaalsContact O-CD1 3.25Å; T177-L181 WeakPolarHBondContact O-CD1 3.48Å; T177-L181 PolarHBondContact O-N 3.19Å; T177-L201 HydrophobicContact CG2-CD2 4.12Å
178S90.1Very high89Confident9 Ų961.6 Ų61.66%0.06332%0.318CS..Hα-helixtrans-60.5-41.9176.971.40000111.5T174 S175 I180 L181 M182T174-S178 PolarHBondContact O-N 3.29Å; S175-S178 PolarHBondContact O-N 3.02Å; S175-S178 PolarHBondContact O-OG 3.48Å; S178-I180 PolarHBondContact O-N 3.27Å; S178-L181 PolarHBondContact O-N 3.43Å; S178-M182 WeakPolarHBondContact O-CB 3.48Å; S178-M182 PolarHBondContact O-N 3.03Å
179M89.2Confident88.5Confident53 Ų5363 Ų6326%0.26133%0.327SS..Hα-helixtrans-59-45.4175.2-174.3-174.666.900112.4Y97 S175 F176 T177 A183Y97-M179 HydrophobicContact CD1-CG 4.47Å; S175-M179 PolarHBondContact O-N 3.39Å; S175-M179 VanDerWaalsContact O-N 3.11Å; F176-M179 HydrophobicContact CD2-CE 3.51Å; F176-M179 HydrophobicContact CE2-CE 3.44Å; F176-M179 VanDerWaalsContact CE2-CE 3.44Å; F176-M179 HydrophobicContact CZ-CE 4.46Å; F176-M179 PolarHBondContact O-N 3.17Å; T177-M179 VanDerWaalsContact C-N 3.31Å; T177-M179 PolarHBondContact O-N 3.2Å; M179-A183 PolarHBondContact O-N 2.98Å
180I90.6Very high87.8Confident77 Ų7760 Ų6040%0.39531%0.313SS..Hα-helixtrans-65.8-46177.5-68.6171.3000111.2F176 T177 S178 M182 A183 T184F176-I180 HydrophobicContact CD1-CD1 3.8Å; F176-I180 HydrophobicContact CE1-CD1 3.35Å; F176-I180 HydrophobicContact CE1-CG1 4.34Å; F176-I180 HydrophobicContact CZ-CD1 3.82Å; F176-I180 HydrophobicContact CZ-CG1 4.46Å; F176-I180 PolarHBondContact O-N 3.37Å; F176-I180 VanDerWaalsContact O-N 3.13Å; T177-I180 PolarHBondContact O-N 3.42Å; S178-I180 PolarHBondContact O-N 3.27Å; I180-M182 VanDerWaalsContact C-N 3.26Å; I180-M182 PolarHBondContact O-N 3.42Å; I180-A183 WeakPolarHBondContact O-CB 2.93Å; I180-A183 PolarHBondContact O-N 3.45Å; I180-A183 VanDerWaalsContact O-N 3.16Å; I180-T184 PolarHBondContact O-N 3.18Å; I180-T184 VanDerWaalsContact O-N 3.09Å
181L89.2Confident87.2Confident44 Ų4460.2 Ų60.223%0.2332%0.315CS..Hα-helixtrans-66.1-32.8-177.8-87.358.9000111.5T177 S178 T184 K185 K186 Y187 L201T177-L181 HydrophobicContact CG2-CD1 3.69Å; T177-L181 VanDerWaalsContact O-CD1 3.25Å; T177-L181 WeakPolarHBondContact O-CD1 3.48Å; T177-L181 PolarHBondContact O-N 3.19Å; S178-L181 PolarHBondContact O-N 3.43Å; L181-T184 WeakPolarHBondContact CA-OG1 3.4Å; L181-T184 CarbonylContact O-C 3.57Å; L181-T184 PolarHBondContact O-N 3.18Å; L181-T184 PolarHBondContact O-OG1 2.92Å; L181-K185 PolarHBondContact O-N 3.46Å; L181-K186 PolarHBondContact O-N 3.38Å; L181-K186 VanDerWaalsContact O-N 3.13Å; L181-Y187 HydrophobicContact CB-CG 4.37Å; L181-Y187 PolarHBondContact O-N 3.35Å; L181-L201 HydrophobicContact CD2-CD1 4.34Å
182M85.5Confident86.8Confident51 Ų5161.8 Ų61.825%0.25132%0.322SS..Hα-helixtrans-62.5-44.9172.3-170.566.6177.600111.1I96 S178 I180 T184 K185 Y187I96-M182 HydrophobicContact CD1-CB 3.96Å; I96-M182 HydrophobicContact CD1-CG 4.17Å; I96-M182 HydrophobicContact CG2-CG 4.22Å; S178-M182 WeakPolarHBondContact O-CB 3.48Å; S178-M182 PolarHBondContact O-N 3.03Å; I180-M182 VanDerWaalsContact C-N 3.26Å; I180-M182 PolarHBondContact O-N 3.42Å; M182-T184 PolarHBondContact O-N 3.44Å; M182-K185 PolarHBondContact O-N 2.93Å; M182-Y187 HydrophobicContact CB-CD1 4.3Å; M182-Y187 HydrophobicContact SD-CD1 4Å
183A87.2Confident86.5Confident78 Ų7861.5 Ų61.565%0.64532%0.323SS*.Hα-helixtrans-60.7-33176.100000112.8M179 I180 K185M179-A183 PolarHBondContact O-N 2.98Å; I180-A183 WeakPolarHBondContact O-CB 2.93Å; I180-A183 PolarHBondContact O-N 3.45Å; I180-A183 VanDerWaalsContact O-N 3.16Å; A183-K185 VanDerWaalsContact C-N 3.32Å
184T88.7Confident86.1Confident80 Ų8061 Ų6149%0.49133%0.327SS..THydrogen-bonded Turntrans-84.61.817665.10000114.5I180 L181 M182 K186I180-T184 PolarHBondContact O-N 3.18Å; I180-T184 VanDerWaalsContact O-N 3.09Å; L181-T184 WeakPolarHBondContact CA-OG1 3.4Å; L181-T184 CarbonylContact O-C 3.57Å; L181-T184 PolarHBondContact O-N 3.18Å; L181-T184 PolarHBondContact O-OG1 2.92Å; M182-T184 PolarHBondContact O-N 3.44Å; T184-K186 PolarHBondContact O-N 3.26Å
185K82.8Confident85.8Confident184 Ų18467 Ų6780%0.836%0.363SS*.THydrogen-bonded Turntrans58.222.9-176.7-53.6-175178.3-175.50114.8L181 M182 A183L181-K185 PolarHBondContact O-N 3.46Å; M182-K185 PolarHBondContact O-N 2.93Å; A183-K185 VanDerWaalsContact C-N 3.32Å
186K83.8Confident85.5Confident153 Ų15367 Ų6767%0.66536%0.363SS*.  trans-97.81.6174.8-71.4-171.2175.7-175.60113.5L181 T184 G197L181-K186 PolarHBondContact O-N 3.38Å; L181-K186 VanDerWaalsContact O-N 3.13Å; T184-K186 PolarHBondContact O-N 3.26Å; K186-G197 PolarHBondContact O-N 3.37Å; K186-G197 VanDerWaalsContact O-N 3.11Å
187Y82.6Confident85.3Confident29 Ų2963 Ų6311%0.11435%0.349CS..  trans-124.4116.1179.3179.8-90.2000108.5I96 L181 M182 V189 Y198 L201I96-Y187 HydrophobicContact CD1-CD1 3.91Å; I96-Y187 HydrophobicContact CD1-CE1 3.44Å; I96-Y187 VanDerWaalsContact CD1-CE1 3.44Å; L181-Y187 HydrophobicContact CB-CG 4.37Å; L181-Y187 PolarHBondContact O-N 3.35Å; M182-Y187 HydrophobicContact CB-CD1 4.3Å; M182-Y187 HydrophobicContact SD-CD1 4Å; Y187-V189 HydrophobicContact CD1-CG2 4.33Å; Y187-V189 HydrophobicContact CE1-CG2 3.6Å; Y187-Y198 HydrophobicContact CE1-CD2 4.41Å; Y187-Y198 AromaticContact CE2-CD2 3.76Å; Y187-Y198 HydrophobicContact CE2-CD2 3.76Å; Y187-Y198 HydrophobicContact CE2-CG 4.32Å; Y187-Y198 AromaticContact CZ-CD2 3.64Å; Y187-Y198 WeakPolarHBondContact OH-CD2 3.3Å; Y187-L201 HydrophobicContact CD2-CD1 3.87Å; Y187-L201 HydrophobicContact CE2-CD1 3.58Å
188I79.2Confident85.1Confident97 Ų9761.4 Ų61.450%0.49734%0.338SS..  trans-120122.1173.4-59.4171000105.1D191 Y198I188-D191 HydrophobicContact CB-CB 4Å; I188-D191 HydrophobicContact CG2-CB 4.15Å; I188-D191 PolarHBondContact O-N 3.36Å; I188-Y198 VanDerWaalsContact O-CB 3.25Å; I188-Y198 WeakPolarHBondContact O-CB 3.38Å
189V78.5Confident85.1Confident38 Ų3862.8 Ų62.823%0.2334%0.344CS..THydrogen-bonded Turntrans-62.8138.4179-179.80000109.1Y187 D191 Y198 T271Y187-V189 HydrophobicContact CD1-CG2 4.33Å; Y187-V189 HydrophobicContact CE1-CG2 3.6Å; V189-D191 PolarHBondContact O-N 2.98Å; V189-Y198 HydrophobicContact CB-CE2 4.5Å; V189-Y198 HydrophobicContact CG1-CE2 4.04Å; V189-T271 HydrophobicContact CB-CG2 3.88Å; V189-T271 HydrophobicContact CG1-CG2 4.46Å
190G76.6Confident85.2Confident6 Ų666.7 Ų66.76%0.06236%0.357CS..THydrogen-bonded Turntrans77.4-7.1179.900000115.5F192G190-F192 WeakPolarHBondContact O-CD2 3.44Å; G190-F192 PolarHBondContact O-N 2.83Å
191D81.5Confident85.3Confident60 Ų6063.6 Ų63.632%0.32134%0.341SS..  trans-82.5101.2175.5-176.211.7000111.3I188 V189 G193 S196I188-D191 HydrophobicContact CB-CB 4Å; I188-D191 HydrophobicContact CG2-CB 4.15Å; I188-D191 PolarHBondContact O-N 3.36Å; V189-D191 PolarHBondContact O-N 2.98Å; D191-G193 PolarHBondContact O-N 3.33Å; D191-G193 PolarHBondContact OD1-N 3.47Å; D191-S196 WeakPolarHBondContact O-CB 3.41Å; D191-S196 PolarHBondContact O-OG 3.24Å; D191-S196 WeakPolarHBondContact OD2-CB 3.46Å
192F82.7Confident85.3Confident52 Ų5263.5 Ų63.523%0.22834%0.339CS..  trans-81.512.7174.7-68.2-81.3000113.8G190 Y198 L199 F202 W258G190-F192 WeakPolarHBondContact O-CD2 3.44Å; G190-F192 PolarHBondContact O-N 2.83Å; F192-Y198 HydrophobicContact CD1-CE1 4.34Å; F192-Y198 AromaticContact CE1-CE1 3.88Å; F192-Y198 HydrophobicContact CE1-CE1 3.88Å; F192-Y198 HydrophobicContact CE2-CE1 4.28Å; F192-Y198 AromaticContact CZ-CE1 3.85Å; F192-Y198 HydrophobicContact CZ-CE1 3.85Å; F192-L199 HydrophobicContact CD1-CD1 3.95Å; F192-F202 AromaticContact CE1-CD1 3.92Å; F192-F202 HydrophobicContact CE1-CD1 3.92Å; F192-F202 HydrophobicContact CE1-CD2 4.18Å; F192-F202 HydrophobicContact CE1-CE1 4.01Å; F192-F202 HydrophobicContact CE1-CE2 4.26Å; F192-F202 HydrophobicContact CE1-CG 4.01Å; F192-F202 HydrophobicContact CE1-CZ 4.18Å; F192-F202 HydrophobicContact CZ-CE2 4.38Å; F192-W258 HydrophobicContact CD2-CB 3.92Å; F192-W258 AromaticContact CD2-CD1 3.71Å; F192-W258 HydrophobicContact CD2-CD2 4.5Å; F192-W258 AromaticContact CD2-CG 3.76Å; F192-W258 HydrophobicContact CD2-CG 3.76Å; F192-W258 HydrophobicContact CE2-CB 3.94Å; F192-W258 HydrophobicContact CE2-CG 4.21Å
193G84.6Confident85.5Confident18 Ų1865.7 Ų65.719%0.18635%0.351CS..  trans-59.4142.4173.700000112.4D191 T195 S196D191-G193 PolarHBondContact O-N 3.33Å; D191-G193 PolarHBondContact OD1-N 3.47Å; G193-T195 PolarHBondContact O-N 3.35Å; G193-T195 VanDerWaalsContact O-N 3.08Å; G193-S196 PolarHBondContact O-N 2.9Å
194P86.3Confident85.9Confident94 Ų9465.7 Ų65.761%0.6134%0.339SS*.THydrogen-bonded Turntrans-64.5-16.1-178.726.4-35000113.9Y200P194-Y200 WeakPolarHBondContact O-CE2 3.25Å; P194-Y200 PolarHBondContact O-OH 3.28Å
195T85.8Confident85.9Confident134 Ų13463.8 Ų63.882%0.82233%0.326SS*.THydrogen-bonded Turntrans-89.5-14.8176.249.90000113.6G193G193-T195 PolarHBondContact O-N 3.35Å; G193-T195 VanDerWaalsContact O-N 3.08Å
196S86.3Confident86.3Confident5 Ų557 Ų574%0.03530%0.299CS..SBendtrans-83.4136.6-179-179.20000110.7D191 G193 Y198 Y200D191-S196 WeakPolarHBondContact O-CB 3.41Å; D191-S196 PolarHBondContact O-OG 3.24Å; D191-S196 WeakPolarHBondContact OD2-CB 3.46Å; G193-S196 PolarHBondContact O-N 2.9Å; S196-Y198 PolarHBondContact O-N 3.4Å; S196-Y198 WeakPolarHBondContact OG-CB 3.27Å; S196-Y198 PolarHBondContact OG-N 2.91Å; S196-Y200 WeakPolarHBondContact O-CD2 3.49Å
197G88.2Confident86.7Confident12 Ų1252.5 Ų52.512%0.12429%0.291CS..Hα-helixtrans-63.7-19172.900000113.6K186 Y200 L201K186-G197 PolarHBondContact O-N 3.37Å; K186-G197 VanDerWaalsContact O-N 3.11Å; G197-Y200 PolarHBondContact O-N 3.4Å; G197-L201 PolarHBondContact O-N 3.16Å
198Y87.7Confident87.2Confident15 Ų1551.6 Ų51.66%0.05929%0.288CS..Hα-helixtrans-63.1-45.2-179.8179.9-91.4000112.3Y187 I188 V189 F192 S196 Y200 L201 F202 S254Y187-Y198 HydrophobicContact CE1-CD2 4.41Å; Y187-Y198 AromaticContact CE2-CD2 3.76Å; Y187-Y198 HydrophobicContact CE2-CD2 3.76Å; Y187-Y198 HydrophobicContact CE2-CG 4.32Å; Y187-Y198 AromaticContact CZ-CD2 3.64Å; Y187-Y198 WeakPolarHBondContact OH-CD2 3.3Å; I188-Y198 VanDerWaalsContact O-CB 3.25Å; I188-Y198 WeakPolarHBondContact O-CB 3.38Å; V189-Y198 HydrophobicContact CB-CE2 4.5Å; V189-Y198 HydrophobicContact CG1-CE2 4.04Å; F192-Y198 HydrophobicContact CD1-CE1 4.34Å; F192-Y198 AromaticContact CE1-CE1 3.88Å; F192-Y198 HydrophobicContact CE1-CE1 3.88Å; F192-Y198 HydrophobicContact CE2-CE1 4.28Å; F192-Y198 AromaticContact CZ-CE1 3.85Å; F192-Y198 HydrophobicContact CZ-CE1 3.85Å; S196-Y198 PolarHBondContact O-N 3.4Å; S196-Y198 WeakPolarHBondContact OG-CB 3.27Å; S196-Y198 PolarHBondContact OG-N 2.91Å; Y198-Y200 VanDerWaalsContact C-N 3.35Å; Y198-Y200 PolarHBondContact O-N 2.92Å; Y198-L201 PolarHBondContact O-N 3.45Å; Y198-F202 HydrophobicContact CE1-CB 4.32Å; Y198-F202 HydrophobicContact CE1-CD2 4.45Å; Y198-F202 WeakPolarHBondContact O-CB 3.33Å; Y198-F202 PolarHBondContact O-N 3.39Å; Y198-S254 WeakPolarHBondContact OH-CB 3.42Å; Y198-S254 PolarHBondContact OH-OG 3.01Å
199L89.7Confident87.6Confident39 Ų3947.7 Ų47.720%0.20427%0.268CS..Hα-helixtrans-56.8-46178.917867000112.2F192 F202 L203F192-L199 HydrophobicContact CD1-CD1 3.95Å; L199-F202 PolarHBondContact O-N 3.25Å; L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.47Å; L199-L203 HydrophobicContact CG-CD1 4.26Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.29Å; L199-L203 PolarHBondContact O-N 3.44Å
200Y92.2Very high88.1Confident134 Ų13450.2 Ų50.253%0.52528%0.284SS..Hα-helixtrans-67.2-44.8-178.7-62.3-81.1000111.8P194 S196 G197 Y198 F202 L203 I204P194-Y200 WeakPolarHBondContact O-CE2 3.25Å; P194-Y200 PolarHBondContact O-OH 3.28Å; S196-Y200 WeakPolarHBondContact O-CD2 3.49Å; G197-Y200 PolarHBondContact O-N 3.4Å; Y198-Y200 VanDerWaalsContact C-N 3.35Å; Y198-Y200 PolarHBondContact O-N 2.92Å; Y200-F202 VanDerWaalsContact C-N 3.33Å; Y200-L203 PolarHBondContact O-N 2.93Å; Y200-I204 VanDerWaalsContact O-CG1 3.27Å; Y200-I204 WeakPolarHBondContact O-CG1 3.33Å; Y200-I204 PolarHBondContact O-N 3.49Å
201L91.6Very high88.8Confident12 Ų1253.3 Ų53.36%0.06330%0.299CS..Hα-helixtrans-64.9-39.1176.8-72173.7000111.6T174 T177 L181 Y187 G197 Y198 I204 N205T174-L201 HydrophobicContact CG2-CD2 4.2Å; T177-L201 HydrophobicContact CG2-CD2 4.12Å; L181-L201 HydrophobicContact CD2-CD1 4.34Å; Y187-L201 HydrophobicContact CD2-CD1 3.87Å; Y187-L201 HydrophobicContact CE2-CD1 3.58Å; G197-L201 PolarHBondContact O-N 3.16Å; Y198-L201 PolarHBondContact O-N 3.45Å; L201-I204 PolarHBondContact O-N 3.01Å; L201-N205 VanDerWaalsContact O-CB 3.28Å; L201-N205 WeakPolarHBondContact O-CB 3.46Å; L201-N205 VanDerWaalsContact O-CG 3.25Å; L201-N205 PolarHBondContact O-N 2.89Å; L201-N205 PolarHBondContact O-ND2 3.05Å
202F88.8Confident89.2Confident42 Ų4250.6 Ų50.618%0.18429%0.285CS..Hα-helixtrans-58-50.2173.4177-92.8000111.2F192 Y198 L199 Y200 N205 N206 V251F192-F202 AromaticContact CE1-CD1 3.92Å; F192-F202 HydrophobicContact CE1-CD1 3.92Å; F192-F202 HydrophobicContact CE1-CD2 4.18Å; F192-F202 HydrophobicContact CE1-CE1 4.01Å; F192-F202 HydrophobicContact CE1-CE2 4.26Å; F192-F202 HydrophobicContact CE1-CG 4.01Å; F192-F202 HydrophobicContact CE1-CZ 4.18Å; F192-F202 HydrophobicContact CZ-CE2 4.38Å; Y198-F202 HydrophobicContact CE1-CB 4.32Å; Y198-F202 HydrophobicContact CE1-CD2 4.45Å; Y198-F202 WeakPolarHBondContact O-CB 3.33Å; Y198-F202 PolarHBondContact O-N 3.39Å; L199-F202 PolarHBondContact O-N 3.25Å; Y200-F202 VanDerWaalsContact C-N 3.33Å; F202-N205 PolarHBondContact O-N 3.17Å; F202-N206 WeakPolarHBondContact CE1-ND2 3.2Å; F202-N206 WeakPolarHBondContact CE2-ND2 3.2Å; F202-N206 VanDerWaalsContact CZ-ND2 3.27Å; F202-N206 WeakPolarHBondContact CZ-ND2 3.2Å; F202-N206 WeakPolarHBondContact O-CB 3.36Å; F202-N206 PolarHBondContact O-N 2.99Å; F202-N206 PolarHBondContact O-ND2 2.57Å; F202-V251 HydrophobicContact CE2-CG1 4.49Å; F202-V251 HydrophobicContact CE2-CG2 4.05Å; F202-V251 HydrophobicContact CZ-CG1 4.47Å; F202-V251 HydrophobicContact CZ-CG2 4.46Å
203L91.6Very high89.4Confident97 Ų9750 Ų5051%0.50829%0.285SS..Hα-helixtrans-62.9-44179.1-71172.4000112.6L199 Y200 N206 A207L199-L203 HydrophobicContact CD1-CD1 4.33Å; L199-L203 HydrophobicContact CD1-CG 4.47Å; L199-L203 HydrophobicContact CG-CD1 4.26Å; L199-L203 VanDerWaalsContact O-CG 3.31Å; L199-L203 WeakPolarHBondContact O-CG 3.29Å; L199-L203 PolarHBondContact O-N 3.44Å; Y200-L203 PolarHBondContact O-N 2.93Å; L203-N206 PolarHBondContact O-N 2.99Å; L203-A207 WeakPolarHBondContact O-CB 3.14Å; L203-A207 PolarHBondContact O-N 3.18Å
204I93.9Very high89.5Confident78 Ų7851.8 Ų51.840%0.429%0.287SS..Hα-helixtrans-61-49.1177-68.7165.9000110.1I170 T174 Y200 L201 N206 A207 T208I170-I204 HydrophobicContact CG2-CG2 4.05Å; T174-I204 HydrophobicContact CG2-CG2 3.77Å; Y200-I204 VanDerWaalsContact O-CG1 3.27Å; Y200-I204 WeakPolarHBondContact O-CG1 3.33Å; Y200-I204 PolarHBondContact O-N 3.49Å; L201-I204 PolarHBondContact O-N 3.01Å; I204-N206 PolarHBondContact O-N 3.35Å; I204-A207 PolarHBondContact O-N 3.31Å; I204-T208 VanDerWaalsContact O-CB 3.31Å; I204-T208 WeakPolarHBondContact O-CB 3.1Å; I204-T208 PolarHBondContact O-N 2.9Å; I204-T208 PolarHBondContact O-OG1 3.45Å
205N90.4Very high89.6Confident40 Ų4047.3 Ų47.321%0.21426%0.258CS..Hα-helixtrans-62.1-43.5179.8-75.5-23.1000112.1T174 L201 F202 A207 T208 V209T174-N205 WeakPolarHBondContact CB-OD1 3.23Å; T174-N205 PolarHBondContact OG1-OD1 3.48Å; T174-N205 VanDerWaalsContact OG1-OD1 3.05Å; L201-N205 VanDerWaalsContact O-CB 3.28Å; L201-N205 WeakPolarHBondContact O-CB 3.46Å; L201-N205 VanDerWaalsContact O-CG 3.25Å; L201-N205 PolarHBondContact O-N 2.89Å; L201-N205 PolarHBondContact O-ND2 3.05Å; F202-N205 PolarHBondContact O-N 3.17Å; N205-A207 PolarHBondContact O-N 3.07Å; N205-T208 PolarHBondContact O-N 3.41Å; N205-V209 WeakPolarHBondContact O-CB 3.24Å; N205-V209 VanDerWaalsContact O-CG2 3.24Å; N205-V209 WeakPolarHBondContact O-CG2 3.39Å; N205-V209 PolarHBondContact O-N 3.33Å
206N90Very high89.6Confident41 Ų4141.9 Ų41.922%0.21922%0.224CC..Hα-helixtrans-59.4-46.5175.3-87-99.9000111.6F202 L203 I204 T210 F247F202-N206 WeakPolarHBondContact CE1-ND2 3.2Å; F202-N206 WeakPolarHBondContact CE2-ND2 3.2Å; F202-N206 VanDerWaalsContact CZ-ND2 3.27Å; F202-N206 WeakPolarHBondContact CZ-ND2 3.2Å; F202-N206 WeakPolarHBondContact O-CB 3.36Å; F202-N206 PolarHBondContact O-N 2.99Å; F202-N206 PolarHBondContact O-ND2 2.57Å; L203-N206 PolarHBondContact O-N 2.99Å; I204-N206 PolarHBondContact O-N 3.35Å; N206-T210 VanDerWaalsContact O-CB 3.27Å; N206-T210 WeakPolarHBondContact O-CB 3.47Å; N206-T210 PolarHBondContact O-N 3.27Å; N206-T210 PolarHBondContact O-OG1 3.44Å; N206-F247 WeakPolarHBondContact OD1-CZ 3.28Å
207A92.4Very high89.4Confident60 Ų6043.3 Ų43.350%0.49623%0.231SC..Hα-helixtrans-64.5-45.117900000111.8L203 I204 N205 T210 L211L203-A207 WeakPolarHBondContact O-CB 3.14Å; L203-A207 PolarHBondContact O-N 3.18Å; I204-A207 PolarHBondContact O-N 3.31Å; N205-A207 PolarHBondContact O-N 3.07Å; A207-T210 PolarHBondContact O-N 3.48Å; A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 PolarHBondContact O-N 3.44Å
208T92.6Very high89.3Confident9 Ų943.1 Ų43.16%0.05523%0.227CC..Hα-helixtrans-65.8-44.5-179.7-73.10000112.3Q166 Y167 I170 I204 N205 L211 A212Q166-T208 PolarHBondContact NE2-O 2.84Å; Q166-T208 PolarHBondContact OE1-OG1 3.42Å; Y167-T208 HydrophobicContact CD2-CG2 3.49Å; Y167-T208 VanDerWaalsContact CD2-CG2 3.49Å; Y167-T208 HydrophobicContact CE2-CG2 4.34Å; Y167-T208 HydrophobicContact CG-CG2 4.18Å; I170-T208 HydrophobicContact CB-CG2 4Å; I170-T208 HydrophobicContact CG2-CG2 3.93Å; I204-T208 VanDerWaalsContact O-CB 3.31Å; I204-T208 WeakPolarHBondContact O-CB 3.1Å; I204-T208 PolarHBondContact O-N 2.9Å; I204-T208 PolarHBondContact O-OG1 3.45Å; N205-T208 PolarHBondContact O-N 3.41Å; T208-L211 PolarHBondContact O-N 3.29Å; T208-A212 WeakPolarHBondContact O-CB 3.43Å; T208-A212 PolarHBondContact O-N 2.86Å
209V88.9Confident89.2Confident15 Ų1542.6 Ų42.69%0.09123%0.225CC..Hα-helixtrans-61.7-47.2174.1171.20000110.3Y167 N205 L211 A212 V213 F247Y167-V209 HydrophobicContact CD2-CG2 4.13Å; Y167-V209 HydrophobicContact CE2-CB 4.49Å; Y167-V209 HydrophobicContact CE2-CG2 3.49Å; Y167-V209 VanDerWaalsContact CE2-CG2 3.49Å; N205-V209 WeakPolarHBondContact O-CB 3.24Å; N205-V209 VanDerWaalsContact O-CG2 3.24Å; N205-V209 WeakPolarHBondContact O-CG2 3.39Å; N205-V209 PolarHBondContact O-N 3.33Å; V209-L211 VanDerWaalsContact C-N 3.34Å; V209-L211 PolarHBondContact O-N 3.44Å; V209-A212 PolarHBondContact O-N 2.84Å; V209-V213 HydrophobicContact CG1-CG2 4.23Å; V209-V213 WeakPolarHBondContact O-CB 3.36Å; V209-V213 WeakPolarHBondContact O-CG2 3.12Å; V209-V213 PolarHBondContact O-N 3Å; V209-F247 HydrophobicContact CB-CE2 4.5Å; V209-F247 HydrophobicContact CG1-CD2 4.39Å; V209-F247 HydrophobicContact CG1-CG 4.46Å; V209-F247 HydrophobicContact CG2-CD2 4.11Å; V209-F247 HydrophobicContact CG2-CE2 4.28Å
210T88.9Confident88.8Confident91 Ų9141.9 Ų41.956%0.55822%0.22SC*.Hα-helixtrans-60.4-44.5-179.4-58.70000111.3N206 A207 Y214N206-T210 VanDerWaalsContact O-CB 3.27Å; N206-T210 WeakPolarHBondContact O-CB 3.47Å; N206-T210 PolarHBondContact O-N 3.27Å; N206-T210 PolarHBondContact O-OG1 3.44Å; A207-T210 PolarHBondContact O-N 3.48Å; T210-Y214 WeakPolarHBondContact O-CB 3.21Å; T210-Y214 PolarHBondContact O-N 3.24Å
211L91.3Very high88.2Confident71 Ų7138.5 Ų38.537%0.37221%0.208SC..Hα-helixtrans-64.3-40.7178.1-178.361.4000112.3A163 Q166 A207 T208 V209 Y214 G215A163-L211 HydrophobicContact CB-CD1 4.22Å; A163-L211 HydrophobicContact CB-CG 4.19Å; Q166-L211 HydrophobicContact CG-CD2 4.06Å; A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 PolarHBondContact O-N 3.44Å; T208-L211 PolarHBondContact O-N 3.29Å; V209-L211 VanDerWaalsContact C-N 3.34Å; V209-L211 PolarHBondContact O-N 3.44Å; L211-Y214 PolarHBondContact O-N 2.81Å; L211-G215 PolarHBondContact O-N 3.26Å
212A90Very high87.5Confident3 Ų338.4 Ų38.43%0.02521%0.209CC..Hα-helixtrans-69.7-44.4177.700000113A163 Y167 T208 V209 Y214 G215 L216A163-A212 WeakPolarHBondContact O-CA 3.16Å; Y167-A212 HydrophobicContact CD2-CB 4.4Å; Y167-A212 HydrophobicContact CG-CB 4.11Å; T208-A212 WeakPolarHBondContact O-CB 3.43Å; T208-A212 PolarHBondContact O-N 2.86Å; V209-A212 PolarHBondContact O-N 2.84Å; A212-Y214 PolarHBondContact O-N 2.99Å; A212-G215 PolarHBondContact O-N 3.49Å; A212-L216 WeakPolarHBondContact O-CB 3.44Å; A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.01Å
213V85.6Confident87Confident40 Ų4036.4 Ų36.424%0.24220%0.2CC..Hα-helixtrans-62.3-37.5174.7173.10000110.5V209 L217V209-V213 HydrophobicContact CG1-CG2 4.23Å; V209-V213 WeakPolarHBondContact O-CB 3.36Å; V209-V213 WeakPolarHBondContact O-CG2 3.12Å; V209-V213 PolarHBondContact O-N 3Å; V213-L217 WeakPolarHBondContact O-CB 3.43Å; V213-L217 PolarHBondContact O-N 3.02Å
214Y86.8Confident86.2Confident55 Ų5537.1 Ų37.122%0.21620%0.196CC..Hα-helixtrans-63.9-47173.9178.8-113.4000112.1F159 T210 L211 A212 L216 L217 L218F159-Y214 HydrophobicContact CE1-CD1 4.49Å; F159-Y214 HydrophobicContact CE1-CE1 4.1Å; F159-Y214 HydrophobicContact CZ-CE1 4.4Å; T210-Y214 WeakPolarHBondContact O-CB 3.21Å; T210-Y214 PolarHBondContact O-N 3.24Å; L211-Y214 PolarHBondContact O-N 2.81Å; A212-Y214 PolarHBondContact O-N 2.99Å; Y214-L216 PolarHBondContact O-N 2.88Å; Y214-L217 WeakPolarHBondContact O-CB 3.19Å; Y214-L217 PolarHBondContact O-N 2.92Å; Y214-L218 HydrophobicContact CD1-CD1 3.96Å; Y214-L218 HydrophobicContact CD1-CG 4.49Å; Y214-L218 HydrophobicContact CD2-CG 4.33Å; Y214-L218 HydrophobicContact CE1-CD1 3.41Å; Y214-L218 VanDerWaalsContact CE1-CD1 3.41Å; Y214-L218 HydrophobicContact CE1-CG 4.14Å; Y214-L218 HydrophobicContact CE2-CD1 4.11Å; Y214-L218 HydrophobicContact CE2-CD2 4.06Å; Y214-L218 HydrophobicContact CE2-CG 3.95Å; Y214-L218 VanDerWaalsContact CZ-CD1 3.49Å; Y214-L218 WeakPolarHBondContact O-CB 3.34Å; Y214-L218 WeakPolarHBondContact O-CG 3.16Å; Y214-L218 PolarHBondContact O-N 3.25Å
215G88.1Confident85.4Confident0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-58.5-46175.400000112.9C160 L211 A212 L217 L218 F219C160-G215 WeakPolarHBondContact CB-O 3.43Å; L211-G215 PolarHBondContact O-N 3.26Å; A212-G215 PolarHBondContact O-N 3.49Å; G215-L217 PolarHBondContact O-N 2.84Å; G215-L218 PolarHBondContact O-N 3.26Å; G215-F219 WeakPolarHBondContact O-CB 3.19Å; G215-F219 PolarHBondContact O-N 3.02Å
216L86.3Confident84.4Confident20 Ų2038.7 Ų38.711%0.10520%0.2CC..Hα-helixtrans-62.4-40.7174.8-76.1171.2000112.5I110 F113 L114 T164 A212 Y214 F219 Y220 F236I110-L216 HydrophobicContact CG2-CD1 4.23Å; F113-L216 HydrophobicContact CD1-CD2 4.33Å; L114-L216 HydrophobicContact CB-CD2 4.39Å; L114-L216 HydrophobicContact CD1-CD2 4.01Å; T164-L216 HydrophobicContact CG2-CD1 4.24Å; T164-L216 HydrophobicContact CG2-CD2 3.89Å; T164-L216 HydrophobicContact CG2-CG 3.88Å; A212-L216 WeakPolarHBondContact O-CB 3.44Å; A212-L216 WeakPolarHBondContact O-CG 3.41Å; A212-L216 PolarHBondContact O-N 3.01Å; Y214-L216 PolarHBondContact O-N 2.88Å; L216-F219 PolarHBondContact O-N 3.26Å; L216-Y220 WeakPolarHBondContact O-CB 3.35Å; L216-Y220 PolarHBondContact O-N 3.49Å; L216-F236 HydrophobicContact CB-CE2 4.14Å; L216-F236 HydrophobicContact CB-CZ 4.02Å
217L83.4Confident83.5Confident36 Ų3637 Ų3719%0.18819%0.191CC..Hα-helixtrans-65.4-45.2178.7-172.389.3000111.3V213 Y214 G215 Y220 F221V213-L217 WeakPolarHBondContact O-CB 3.43Å; V213-L217 PolarHBondContact O-N 3.02Å; Y214-L217 WeakPolarHBondContact O-CB 3.19Å; Y214-L217 PolarHBondContact O-N 2.92Å; G215-L217 PolarHBondContact O-N 2.84Å; L217-Y220 PolarHBondContact O-N 3.37Å; L217-F221 HydrophobicContact CD1-CE2 3.82Å; L217-F221 HydrophobicContact CD1-CZ 4.19Å; L217-F221 HydrophobicContact CD2-CD2 4.27Å; L217-F221 HydrophobicContact CD2-CE2 3.66Å; L217-F221 HydrophobicContact CG-CD2 3.85Å; L217-F221 HydrophobicContact CG-CE2 3.42Å; L217-F221 VanDerWaalsContact CG-CE2 3.42Å; L217-F221 HydrophobicContact CG-CZ 4.28Å; L217-F221 WeakPolarHBondContact O-CD2 3.13Å; L217-F221 PolarHBondContact O-N 2.87Å
218L84.9Confident82.3Confident7 Ų741.2 Ų41.24%0.03720%0.198CC..Hα-helixtrans-59.5-46.6175.4-76.4-178.9000111.3T144 F156 F159 C160 Y214 G215 Y220 F221 A222T144-L218 HydrophobicContact CG2-CD2 3.94Å; F156-L218 HydrophobicContact CE2-CB 4.24Å; F156-L218 HydrophobicContact CE2-CD1 4.26Å; F156-L218 HydrophobicContact CE2-CD2 4.4Å; F156-L218 HydrophobicContact CZ-CB 3.88Å; F159-L218 HydrophobicContact CD1-CD1 4.2Å; F159-L218 HydrophobicContact CE1-CD1 3.82Å; C160-L218 VanDerWaalsContact SG-CB 3.6Å; Y214-L218 HydrophobicContact CD1-CD1 3.96Å; Y214-L218 HydrophobicContact CD1-CG 4.49Å; Y214-L218 HydrophobicContact CD2-CG 4.33Å; Y214-L218 HydrophobicContact CE1-CD1 3.41Å; Y214-L218 VanDerWaalsContact CE1-CD1 3.41Å; Y214-L218 HydrophobicContact CE1-CG 4.14Å; Y214-L218 HydrophobicContact CE2-CD1 4.11Å; Y214-L218 HydrophobicContact CE2-CD2 4.06Å; Y214-L218 HydrophobicContact CE2-CG 3.95Å; Y214-L218 VanDerWaalsContact CZ-CD1 3.49Å; Y214-L218 WeakPolarHBondContact O-CB 3.34Å; Y214-L218 WeakPolarHBondContact O-CG 3.16Å; Y214-L218 PolarHBondContact O-N 3.25Å; G215-L218 PolarHBondContact O-N 3.26Å; L218-Y220 PolarHBondContact O-N 2.89Å; L218-F221 PolarHBondContact O-N 2.86Å; L218-A222 PolarHBondContact O-N 3.17Å
219F85.1Confident80.9Confident4 Ų445.9 Ų45.92%0.01823%0.229CC..Hα-helixtrans-60.4-45176.2177.5-91.9000111.8L114 C117 Y118 L121 L157 C160 G215 L216 F221 A222 T223L114-F219 HydrophobicContact CD1-CD1 4.36Å; L114-F219 HydrophobicContact CD1-CG 4.37Å; C117-F219 HydrophobicContact CB-CD1 4.49Å; C117-F219 HydrophobicContact CB-CE1 3.5Å; C117-F219 VanDerWaalsContact CB-CE1 3.5Å; C117-F219 HydrophobicContact CB-CZ 4.05Å; Y118-F219 HydrophobicContact CD2-CE2 4.25Å; Y118-F219 HydrophobicContact CD2-CZ 4.24Å; Y118-F219 HydrophobicContact CE1-CE2 4.18Å; Y118-F219 HydrophobicContact CE2-CD2 4.34Å; Y118-F219 AromaticContact CE2-CE2 3.77Å; Y118-F219 HydrophobicContact CE2-CE2 3.77Å; Y118-F219 HydrophobicContact CE2-CZ 4.2Å; Y118-F219 AromaticContact CZ-CE2 3.74Å; L121-F219 HydrophobicContact CD1-CE1 4.4Å; L121-F219 HydrophobicContact CD1-CE2 4.46Å; L121-F219 HydrophobicContact CD1-CZ 3.7Å; L157-F219 HydrophobicContact CD2-CD2 3.93Å; L157-F219 HydrophobicContact CD2-CE2 4.05Å; C160-F219 HydrophobicContact CB-CB 3.98Å; G215-F219 WeakPolarHBondContact O-CB 3.19Å; G215-F219 PolarHBondContact O-N 3.02Å; L216-F219 PolarHBondContact O-N 3.26Å; F219-F221 PolarHBondContact O-N 3.01Å; F219-A222 PolarHBondContact O-N 3Å; F219-T223 HydrophobicContact CD2-CG2 4.44Å; F219-T223 HydrophobicContact CE1-CG2 4.32Å; F219-T223 HydrophobicContact CE2-CG2 4.05Å; F219-T223 HydrophobicContact CZ-CG2 3.99Å; F219-T223 WeakPolarHBondContact O-CG2 3.39Å; F219-T223 PolarHBondContact O-N 2.5Å; F219-T223 VanDerWaalsContact O-N 3.12Å; F219-T223 PolarHBondContact O-OG1 2.95Å
220Y81.3Confident79.8Confident25 Ų2549.2 Ų49.210%0.09824%0.242CC..Hα-helixtrans-59.8-45.4177172.1-98.4000111.8L216 L217 L218 A222 T223 R224 P232 L233 F236L216-Y220 WeakPolarHBondContact O-CB 3.35Å; L216-Y220 PolarHBondContact O-N 3.49Å; L217-Y220 PolarHBondContact O-N 3.37Å; L218-Y220 PolarHBondContact O-N 2.89Å; Y220-A222 VanDerWaalsContact C-N 3.3Å; Y220-A222 PolarHBondContact O-N 3.41Å; Y220-T223 PolarHBondContact O-N 3.26Å; Y220-R224 HydrophobicContact CE1-CB 4.13Å; Y220-R224 HydrophobicContact CE2-CB 4.15Å; Y220-R224 WeakPolarHBondContact O-CA 3.35Å; Y220-R224 VanDerWaalsContact O-CB 3.3Å; Y220-R224 WeakPolarHBondContact O-CB 3.25Å; Y220-R224 PolarHBondContact O-N 3.44Å; Y220-P232 HydrophobicContact CE2-CB 4.5Å; Y220-P232 HydrophobicContact CE2-CG 4.33Å; Y220-L233 HydrophobicContact CE1-CD2 3.91Å; Y220-L233 HydrophobicContact CE2-CD2 4.04Å; Y220-L233 HydrophobicContact CE2-CG 4.39Å; Y220-L233 WeakPolarHBondContact OH-CD2 3.39Å; Y220-L233 WeakPolarHBondContact OH-CG 3.5Å; Y220-F236 HydrophobicContact CD2-CD2 4.22Å; Y220-F236 HydrophobicContact CD2-CG 4.32Å; Y220-F236 HydrophobicContact CG-CD2 4.44Å; Y220-F236 HydrophobicContact CG-CE2 4.48Å
221F79.8Confident78.6Confident62 Ų6248.5 Ų48.527%0.27224%0.241SC..Hα-helixtrans-68.2-30.1179.2-73.2-50000113.7Y142 L217 L218 F219 T223 R224Y142-F221 HydrophobicContact CD1-CE2 4.39Å; Y142-F221 HydrophobicContact CD1-CZ 4.44Å; Y142-F221 HydrophobicContact CD2-CE2 4.2Å; Y142-F221 HydrophobicContact CD2-CZ 4.15Å; Y142-F221 HydrophobicContact CE1-CZ 4.46Å; Y142-F221 HydrophobicContact CE2-CZ 4.2Å; Y142-F221 HydrophobicContact CG-CE2 4.06Å; Y142-F221 HydrophobicContact CG-CZ 4.3Å; L217-F221 HydrophobicContact CD1-CE2 3.82Å; L217-F221 HydrophobicContact CD1-CZ 4.19Å; L217-F221 HydrophobicContact CD2-CD2 4.27Å; L217-F221 HydrophobicContact CD2-CE2 3.66Å; L217-F221 HydrophobicContact CG-CD2 3.85Å; L217-F221 HydrophobicContact CG-CE2 3.42Å; L217-F221 VanDerWaalsContact CG-CE2 3.42Å; L217-F221 HydrophobicContact CG-CZ 4.28Å; L217-F221 WeakPolarHBondContact O-CD2 3.13Å; L217-F221 PolarHBondContact O-N 2.87Å; L218-F221 PolarHBondContact O-N 2.86Å; F219-F221 PolarHBondContact O-N 3.01Å; F221-T223 VanDerWaalsContact C-N 3.32Å; F221-R224 WeakPolarHBondContact O-CG 3.47Å
222A78.5Confident77.3Confident10 Ų1045.9 Ų45.98%0.08323%0.228CC..Hα-helixtrans-67.4-34.6173.500000112.7L131 Y152 F156 L218 F219 Y220L131-A222 HydrophobicContact CD2-CB 4.24Å; Y152-A222 HydrophobicContact CD1-CB 4.1Å; Y152-A222 HydrophobicContact CE1-CB 3.37Å; F156-A222 HydrophobicContact CE1-CB 3.61Å; F156-A222 HydrophobicContact CZ-CB 4.23Å; L218-A222 PolarHBondContact O-N 3.17Å; F219-A222 PolarHBondContact O-N 3Å; Y220-A222 VanDerWaalsContact C-N 3.3Å; Y220-A222 PolarHBondContact O-N 3.41Å
223T76.4Confident76Confident0 Ų050.9 Ų50.90%025%0.254CS..Hα-helixtrans-111.5-4.4-167.959.20000113.8L121 F219 Y220 F221 E225 Q226 L227L121-T223 HydrophobicContact CD1-CG2 3.49Å; L121-T223 VanDerWaalsContact CD1-CG2 3.49Å; F219-T223 HydrophobicContact CD2-CG2 4.44Å; F219-T223 HydrophobicContact CE1-CG2 4.32Å; F219-T223 HydrophobicContact CE2-CG2 4.05Å; F219-T223 HydrophobicContact CZ-CG2 3.99Å; F219-T223 WeakPolarHBondContact O-CG2 3.39Å; F219-T223 PolarHBondContact O-N 2.5Å; F219-T223 VanDerWaalsContact O-N 3.12Å; F219-T223 PolarHBondContact O-OG1 2.95Å; Y220-T223 PolarHBondContact O-N 3.26Å; F221-T223 VanDerWaalsContact C-N 3.32Å; T223-E225 VanDerWaalsContact C-N 3.29Å; T223-E225 PolarHBondContact O-N 3.21Å; T223-E225 VanDerWaalsContact O-N 3.16Å; T223-Q226 PolarHBondContact O-N 3.31Å; T223-L227 PolarHBondContact O-N 3.15Å; T223-L227 WeakPolarHBondContact OG1-CD1 3.27Å
224R76.6Confident75.3Confident113 Ų11353.2 Ų53.243%0.42627%0.265SS..Hα-helixtrans-53.3-39.1-175.356.6174.1-105-172.6-6.4114.5Y220 F221 K228Y220-R224 HydrophobicContact CE1-CB 4.13Å; Y220-R224 HydrophobicContact CE2-CB 4.15Å; Y220-R224 WeakPolarHBondContact O-CA 3.35Å; Y220-R224 VanDerWaalsContact O-CB 3.3Å; Y220-R224 WeakPolarHBondContact O-CB 3.25Å; Y220-R224 PolarHBondContact O-N 3.44Å; F221-R224 WeakPolarHBondContact O-CG 3.47Å; R224-K228 WeakPolarHBondContact O-CB 3.26Å; R224-K228 PolarHBondContact O-N 2.82Å
225E75.2Confident74.9Confident114 Ų11451.2 Ų51.253%0.53326%0.257SS..Hα-helixtrans-72.2-35.6-178-62.6-54.9142.100111.1T223 K228T223-E225 VanDerWaalsContact C-N 3.29Å; T223-E225 PolarHBondContact O-N 3.21Å; T223-E225 VanDerWaalsContact O-N 3.16Å; E225-K228 WeakPolarHBondContact O-CB 3.32Å
226Q71Confident74.2Confident37 Ų3752.1 Ų52.117%0.17326%0.261CS..Hα-helixtrans-75.1-36.8177.3-61.1170.320.400111.2L121 E130 T223 P229L121-Q226 HydrophobicContact CD2-CB 3.61Å; E130-Q226 HydrophobicContact CG-CG 3.82Å; T223-Q226 PolarHBondContact O-N 3.31Å; Q226-P229 VanDerWaalsContact O-CD 3.26Å; Q226-P229 WeakPolarHBondContact O-CD 3.49Å
227L69.8Low73.7Confident5 Ų553.8 Ų53.83%0.02628%0.277CS..Hα-helixtrans-80.5-14.4178.8-72.1174.9000113.5L121 T223 P229 F230 P232L121-L227 HydrophobicContact CD1-CD2 4.46Å; L121-L227 HydrophobicContact CD1-CG 4.47Å; L121-L227 HydrophobicContact CD2-CD2 3.74Å; L121-L227 HydrophobicContact CD2-CG 3.78Å; L121-L227 HydrophobicContact CG-CD2 3.77Å; L121-L227 HydrophobicContact CG-CG 4.13Å; T223-L227 PolarHBondContact O-N 3.15Å; T223-L227 WeakPolarHBondContact OG1-CD1 3.27Å; L227-P229 VanDerWaalsContact C-N 3.3Å; L227-P229 WeakPolarHBondContact O-CD 3.5Å; L227-P229 VanDerWaalsContact O-N 3.12Å; L227-F230 PolarHBondContact O-N 2.92Å; L227-P232 HydrophobicContact CB-CB 3.79Å; L227-P232 HydrophobicContact CB-CG 3.65Å; L227-P232 HydrophobicContact CD1-CB 4.37Å; L227-P232 WeakPolarHBondContact O-CD 3.41Å; L227-P232 WeakPolarHBondContact O-CG 3.45Å
228K68.7Low73.5Confident148 Ų14852.7 Ų52.764%0.64327%0.272SS*.G310 helixtrans-47-40.6-176-169.1178.9-179.7-178.70114.6R224 E225 F230 S231R224-K228 WeakPolarHBondContact O-CB 3.26Å; R224-K228 PolarHBondContact O-N 2.82Å; E225-K228 WeakPolarHBondContact O-CB 3.32Å; K228-F230 PolarHBondContact O-N 3.41Å; K228-F230 VanDerWaalsContact O-N 3.15Å; K228-S231 PolarHBondContact O-N 3.43Å
229P63.2Low73.3Confident107 Ų10752.5 Ų52.570%0.69527%0.271SS*.G310 helixtrans-58-26.1177.1-24.535.7000114.1Q226 L227Q226-P229 VanDerWaalsContact O-CD 3.26Å; Q226-P229 WeakPolarHBondContact O-CD 3.49Å; L227-P229 VanDerWaalsContact C-N 3.3Å; L227-P229 WeakPolarHBondContact O-CD 3.5Å; L227-P229 VanDerWaalsContact O-N 3.12Å
230F65Low73Confident86 Ų8655.6 Ų55.638%0.37729%0.285SS..G310 helixtrans-94.311.6-176.4-60.4-73.6000114.4L227 K228L227-F230 PolarHBondContact O-N 2.92Å; K228-F230 PolarHBondContact O-N 3.41Å; K228-F230 VanDerWaalsContact O-N 3.15Å
231S63.4Low72.8Confident75 Ų7556.3 Ų56.352%0.52429%0.294SS..  trans48.553.5-175.859.40000113.5K228 L233 L234K228-S231 PolarHBondContact O-N 3.43Å; S231-L233 VanDerWaalsContact C-N 3.31Å; S231-L233 PolarHBondContact O-N 3.29Å; S231-L234 PolarHBondContact O-N 3.46Å
232P64.3Low72.9Confident17 Ų1753.6 Ų53.611%0.1128%0.282CS..Hα-helixtrans-72-27.1-164.231.9-36.9000112.5Y220 L227 L234 K235 F236Y220-P232 HydrophobicContact CE2-CB 4.5Å; Y220-P232 HydrophobicContact CE2-CG 4.33Å; L227-P232 HydrophobicContact CB-CB 3.79Å; L227-P232 HydrophobicContact CB-CG 3.65Å; L227-P232 HydrophobicContact CD1-CB 4.37Å; L227-P232 WeakPolarHBondContact O-CD 3.41Å; L227-P232 WeakPolarHBondContact O-CG 3.45Å; P232-L234 VanDerWaalsContact C-N 3.29Å; P232-L234 PolarHBondContact O-N 2.99Å; P232-K235 WeakPolarHBondContact O-CB 3.32Å; P232-K235 PolarHBondContact O-N 2.93Å; P232-F236 WeakPolarHBondContact O-CB 3.33Å; P232-F236 PolarHBondContact O-N 2.87Å
233L63.4Low73.2Confident107 Ų10753.8 Ų53.856%0.5628%0.281SS*.Hα-helixtrans-56.2-43.5179.3-81.6171.2000112.3Y220 S231 A237Y220-L233 HydrophobicContact CE1-CD2 3.91Å; Y220-L233 HydrophobicContact CE2-CD2 4.04Å; Y220-L233 HydrophobicContact CE2-CG 4.39Å; Y220-L233 WeakPolarHBondContact OH-CD2 3.39Å; Y220-L233 WeakPolarHBondContact OH-CG 3.5Å; S231-L233 VanDerWaalsContact C-N 3.31Å; S231-L233 PolarHBondContact O-N 3.29Å; L233-A237 WeakPolarHBondContact O-CB 3.24Å; L233-A237 PolarHBondContact O-N 2.95Å
234L70.6Confident73.5Confident90 Ų9058 Ų5847%0.47130%0.299SS..Hα-helixtrans-68-38.9-179.2-172.270.3000111.1S231 P232 T238 A296S231-L234 PolarHBondContact O-N 3.46Å; P232-L234 VanDerWaalsContact C-N 3.29Å; P232-L234 PolarHBondContact O-N 2.99Å; L234-T238 VanDerWaalsContact O-CB 3.31Å; L234-T238 WeakPolarHBondContact O-CB 3.38Å; L234-T238 PolarHBondContact O-N 3.47Å; L234-T238 PolarHBondContact O-OG1 3.39Å; L234-A296 HydrophobicContact CG-CB 4.48Å
235K78Confident73.9Confident12 Ų1257.2 Ų57.25%0.05230%0.3CS..Hα-helixtrans-64.7-50.7175.8-64.7175.7-178.8-179.50111.4Y120 P232 T238 I239 A296 F297Y120-K235 HydrophobicContact CE2-CD 4.2Å; Y120-K235 PolarHBondContact OH-NZ 2.87Å; P232-K235 WeakPolarHBondContact O-CB 3.32Å; P232-K235 PolarHBondContact O-N 2.93Å; K235-T238 PolarHBondContact O-N 3.47Å; K235-I239 PolarHBondContact O-N 3.38Å; K235-A296 WeakPolarHBondContact CE-O 3.44Å; K235-A296 HydrophobicContact CG-CB 4.23Å; K235-A296 WeakPolarHBondContact CG-O 3.44Å; K235-F297 HydrophobicContact CB-CE1 4.07Å; K235-F297 HydrophobicContact CB-CZ 3.93Å; K235-F297 HydrophobicContact CD-CD1 4.15Å; K235-F297 HydrophobicContact CD-CE1 3.82Å; K235-F297 HydrophobicContact CG-CD1 4.25Å; K235-F297 HydrophobicContact CG-CE1 3.86Å; K235-F297 HydrophobicContact CG-CZ 4.12Å
236F73.9Confident74.3Confident20 Ų2052.2 Ų52.29%0.08828%0.277CS..Hα-helixtrans-64.8-46.3-179.5-170.3-84.5000111.7F113 L216 Y220 P232 T238 K240F113-F236 AromaticContact CE1-CD2 3.4Å; F113-F236 HydrophobicContact CE1-CD2 3.4Å; F113-F236 VanDerWaalsContact CE1-CD2 3.4Å; F113-F236 AromaticContact CE1-CE2 3.77Å; F113-F236 HydrophobicContact CE1-CE2 3.77Å; F113-F236 HydrophobicContact CE1-CG 4.26Å; F113-F236 HydrophobicContact CZ-CB 3.92Å; F113-F236 AromaticContact CZ-CD2 3.46Å; F113-F236 HydrophobicContact CZ-CD2 3.46Å; F113-F236 VanDerWaalsContact CZ-CD2 3.46Å; F113-F236 HydrophobicContact CZ-CE2 4.29Å; F113-F236 HydrophobicContact CZ-CG 4.01Å; L216-F236 HydrophobicContact CB-CE2 4.14Å; L216-F236 HydrophobicContact CB-CZ 4.02Å; Y220-F236 HydrophobicContact CD2-CD2 4.22Å; Y220-F236 HydrophobicContact CD2-CG 4.32Å; Y220-F236 HydrophobicContact CG-CD2 4.44Å; Y220-F236 HydrophobicContact CG-CE2 4.48Å; P232-F236 WeakPolarHBondContact O-CB 3.33Å; P232-F236 PolarHBondContact O-N 2.87Å; F236-T238 PolarHBondContact O-N 3.44Å; F236-K240 HydrophobicContact CD1-CB 4.45Å; F236-K240 HydrophobicContact CD1-CD 4.25Å; F236-K240 HydrophobicContact CE1-CB 4.43Å; F236-K240 HydrophobicContact CE1-CD 3.64Å; F236-K240 HydrophobicContact CZ-CD 4.45Å; F236-K240 WeakPolarHBondContact O-CB 3.49Å; F236-K240 PolarHBondContact O-N 3.42Å
237A74.6Confident74.9Confident54 Ų5452 Ų5245%0.44628%0.275SS..Hα-helixtrans-63.2-42.7178.900000111.4L233 S241L233-A237 WeakPolarHBondContact O-CB 3.24Å; L233-A237 PolarHBondContact O-N 2.95Å; A237-S241 WeakPolarHBondContact O-CA 3.37Å; A237-S241 WeakPolarHBondContact O-CB 3.24Å; A237-S241 PolarHBondContact O-N 2.94Å
238T80.4Confident75.5Confident14 Ų1458 Ų589%0.08630%0.298CS..Hα-helixtrans-60.1-54.2178.8-580000111.2L234 K235 F236 S241 I242 A292 L293L234-T238 VanDerWaalsContact O-CB 3.31Å; L234-T238 WeakPolarHBondContact O-CB 3.38Å; L234-T238 PolarHBondContact O-N 3.47Å; L234-T238 PolarHBondContact O-OG1 3.39Å; K235-T238 PolarHBondContact O-N 3.47Å; F236-T238 PolarHBondContact O-N 3.44Å; T238-S241 PolarHBondContact O-N 3Å; T238-I242 VanDerWaalsContact O-CG1 3.3Å; T238-I242 WeakPolarHBondContact O-CG1 3.33Å; T238-I242 PolarHBondContact O-N 2.98Å; T238-A292 HydrophobicContact CG2-CB 3.79Å; T238-L293 HydrophobicContact CG2-CD2 3.78Å; T238-L293 HydrophobicContact CG2-CG 4Å
239I80.6Confident76.3Confident3 Ų351.7 Ų51.72%0.01527%0.271CS..Hα-helixtrans-64.9-45.2-178.9-61.1-56.2000112.1V70 F113 K235 S241 I242 I243 L293 F297V70-I239 HydrophobicContact CG1-CD1 3.23Å; V70-I239 HydrophobicContact CG1-CG1 3.89Å; F113-I239 HydrophobicContact CB-CG2 4.44Å; F113-I239 HydrophobicContact CD2-CB 4.26Å; F113-I239 HydrophobicContact CD2-CG1 3.97Å; F113-I239 HydrophobicContact CD2-CG2 4.33Å; F113-I239 HydrophobicContact CE2-CB 4.44Å; F113-I239 HydrophobicContact CE2-CG1 4.23Å; F113-I239 HydrophobicContact CG-CG2 4.21Å; K235-I239 PolarHBondContact O-N 3.38Å; I239-S241 VanDerWaalsContact C-N 3.29Å; I239-S241 PolarHBondContact O-N 3.44Å; I239-I242 HydrophobicContact CD1-CD1 4.11Å; I239-I242 PolarHBondContact O-N 3.35Å; I239-I243 HydrophobicContact CG2-CD1 3.99Å; I239-I243 PolarHBondContact O-N 3.26Å; I239-L293 HydrophobicContact CD1-CD2 3.47Å; I239-L293 VanDerWaalsContact CD1-CD2 3.47Å; I239-F297 HydrophobicContact CD1-CE2 4.19Å; I239-F297 HydrophobicContact CG1-CE2 4.19Å; I239-F297 HydrophobicContact CG1-CZ 4.28Å
240K78.1Confident77.4Confident68 Ų6849.2 Ų49.230%0.29625%0.252SS..Hα-helixtrans-59.7-42.1177.3179.9174.6175.3178.90111.5F236 I242 I243 F244F236-K240 HydrophobicContact CD1-CB 4.45Å; F236-K240 HydrophobicContact CD1-CD 4.25Å; F236-K240 HydrophobicContact CE1-CB 4.43Å; F236-K240 HydrophobicContact CE1-CD 3.64Å; F236-K240 HydrophobicContact CZ-CD 4.45Å; F236-K240 WeakPolarHBondContact O-CB 3.49Å; F236-K240 PolarHBondContact O-N 3.42Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.47Å; K240-I243 PolarHBondContact O-N 3Å; K240-F244 WeakPolarHBondContact O-CB 3.44Å; K240-F244 PolarHBondContact O-N 2.78Å
241S76.9Confident78.5Confident41 Ų4145.8 Ų45.829%0.28724%0.238SC..Hα-helixtrans-59.8-40.7-179.4-170.90000111.6A237 T238 I239 F244 F245A237-S241 WeakPolarHBondContact O-CA 3.37Å; A237-S241 WeakPolarHBondContact O-CB 3.24Å; A237-S241 PolarHBondContact O-N 2.94Å; T238-S241 PolarHBondContact O-N 3Å; I239-S241 VanDerWaalsContact C-N 3.29Å; I239-S241 PolarHBondContact O-N 3.44Å; S241-F244 PolarHBondContact O-N 2.88Å; S241-F245 VanDerWaalsContact O-CB 3.31Å; S241-F245 WeakPolarHBondContact O-CB 3.35Å; S241-F245 VanDerWaalsContact O-CD2 3.25Å; S241-F245 WeakPolarHBondContact O-CD2 3.31Å; S241-F245 WeakPolarHBondContact O-CG 3.39Å; S241-F245 PolarHBondContact O-N 3.45Å; S241-F245 WeakPolarHBondContact OG-CD2 3.32Å; S241-F245 WeakPolarHBondContact OG-CE2 3.29Å
242I82.7Confident79.6Confident5 Ų546.6 Ų46.63%0.02624%0.236CC..Hα-helixtrans-60.3-55.7179-59.7160.9000110.5L73 Y77 T238 I239 K240 F244 S246 V289L73-I242 HydrophobicContact CD2-CG2 4.29Å; Y77-I242 HydrophobicContact CE1-CG2 4.47Å; T238-I242 VanDerWaalsContact O-CG1 3.3Å; T238-I242 WeakPolarHBondContact O-CG1 3.33Å; T238-I242 PolarHBondContact O-N 2.98Å; I239-I242 HydrophobicContact CD1-CD1 4.11Å; I239-I242 PolarHBondContact O-N 3.35Å; K240-I242 VanDerWaalsContact C-N 3.29Å; K240-I242 PolarHBondContact O-N 3.47Å; I242-F244 VanDerWaalsContact C-N 3.31Å; I242-F244 PolarHBondContact O-N 2.92Å; I242-S246 WeakPolarHBondContact O-CB 3.27Å; I242-S246 PolarHBondContact O-N 3.33Å; I242-S246 PolarHBondContact O-OG 3.3Å; I242-V289 HydrophobicContact CD1-CB 4.46Å; I242-V289 HydrophobicContact CD1-CG1 3.23Å; I242-V289 HydrophobicContact CD1-CG2 4.45Å; I242-V289 HydrophobicContact CG1-CB 4.2Å; I242-V289 HydrophobicContact CG1-CG1 3.42Å; I242-V289 VanDerWaalsContact CG1-CG1 3.42Å; I242-V289 HydrophobicContact CG1-CG2 3.67Å
243I84.2Confident80.8Confident14 Ų1447 Ų477%0.07224%0.236CC..Hα-helixtrans-67.5-35.7-176.8-66.4153.9000111E106 I110 I239 K240 S246 F247E106-I243 HydrophobicContact CG-CG1 4.26Å; E106-I243 WeakPolarHBondContact OE1-CG2 3.32Å; I110-I243 HydrophobicContact CD1-CD1 3.68Å; I110-I243 HydrophobicContact CD1-CG1 4.43Å; I110-I243 HydrophobicContact CD1-CG2 4.2Å; I110-I243 HydrophobicContact CG1-CD1 3.38Å; I110-I243 HydrophobicContact CG1-CG1 4.47Å; I239-I243 HydrophobicContact CG2-CD1 3.99Å; I239-I243 PolarHBondContact O-N 3.26Å; K240-I243 PolarHBondContact O-N 3Å; I243-S246 PolarHBondContact O-OG 3.35Å; I243-F247 VanDerWaalsContact O-CB 3.3Å; I243-F247 WeakPolarHBondContact O-CB 3.47Å; I243-F247 PolarHBondContact O-N 3.46Å
244F82.4Confident81.8Confident87 Ų8742.5 Ų42.538%0.38221%0.213SC..Hα-helixtrans-71.2-44.6-179.8-173.5-100.2000111.6K240 S241 I242 F247 W248K240-F244 WeakPolarHBondContact O-CB 3.44Å; K240-F244 PolarHBondContact O-N 2.78Å; S241-F244 PolarHBondContact O-N 2.88Å; I242-F244 VanDerWaalsContact C-N 3.31Å; I242-F244 PolarHBondContact O-N 2.92Å; F244-F247 PolarHBondContact O-N 3.05Å; F244-W248 AromaticContact CD1-CD1 3.64Å; F244-W248 AromaticContact CD2-NE1 3.94Å; F244-W248 AromaticContact CE1-CD1 3.35Å; F244-W248 HydrophobicContact CE1-CG 4.48Å; F244-W248 AromaticContact CE1-NE1 3.38Å; F244-W248 AromaticContact CE2-CD1 3.76Å; F244-W248 AromaticContact CE2-NE1 3.25Å; F244-W248 VanDerWaalsContact CE2-NE1 3.25Å; F244-W248 AromaticContact CG-CD1 3.97Å; F244-W248 AromaticContact CZ-CD1 3.45Å; F244-W248 VanDerWaalsContact CZ-CD1 3.45Å; F244-W248 AromaticContact CZ-NE1 2.95Å; F244-W248 VanDerWaalsContact O-CD1 3.23Å; F244-W248 PolarHBondContact O-N 3.04Å
245F85.5Confident82.5Confident98 Ų9842 Ų4243%0.4321%0.21SC..Hα-helixtrans-71-39179.2-72.8-39.9000112.4S241 F247 W248 Q249 E285S241-F245 VanDerWaalsContact O-CB 3.31Å; S241-F245 WeakPolarHBondContact O-CB 3.35Å; S241-F245 VanDerWaalsContact O-CD2 3.25Å; S241-F245 WeakPolarHBondContact O-CD2 3.31Å; S241-F245 WeakPolarHBondContact O-CG 3.39Å; S241-F245 PolarHBondContact O-N 3.45Å; S241-F245 WeakPolarHBondContact OG-CD2 3.32Å; S241-F245 WeakPolarHBondContact OG-CE2 3.29Å; F245-F247 VanDerWaalsContact C-N 3.3Å; F245-F247 PolarHBondContact O-N 3.29Å; F245-W248 PolarHBondContact O-N 3.26Å; F245-Q249 WeakPolarHBondContact O-CB 3.49Å; F245-Q249 VanDerWaalsContact O-CD 3.23Å; F245-Q249 WeakPolarHBondContact O-CG 3.28Å; F245-Q249 PolarHBondContact O-N 3.17Å; F245-Q249 PolarHBondContact O-NE2 3.48Å; F245-E285 WeakPolarHBondContact CB-OE1 3.4Å; F245-E285 WeakPolarHBondContact CD2-OE1 3.36Å
246S83.5Confident82.9Confident9 Ų943.6 Ų43.66%0.06322%0.219CC..Hα-helixtrans-59-44.2173.662.90000111.5I242 I243 Q249 D250I242-S246 WeakPolarHBondContact O-CB 3.27Å; I242-S246 PolarHBondContact O-N 3.33Å; I242-S246 PolarHBondContact O-OG 3.3Å; I243-S246 PolarHBondContact O-OG 3.35Å; S246-Q249 WeakPolarHBondContact O-CB 3.29Å; S246-Q249 PolarHBondContact O-N 3.42Å; S246-D250 PolarHBondContact O-N 3.15Å
247F82.9Confident83.4Confident31 Ų3143.9 Ų43.914%0.13622%0.221CC..Hα-helixtrans-60.7-47.9175.1171.1-95.5000112.8N206 V209 I243 F244 F245 Q249 D250 V251N206-F247 WeakPolarHBondContact OD1-CZ 3.28Å; V209-F247 HydrophobicContact CB-CE2 4.5Å; V209-F247 HydrophobicContact CG1-CD2 4.39Å; V209-F247 HydrophobicContact CG1-CG 4.46Å; V209-F247 HydrophobicContact CG2-CD2 4.11Å; V209-F247 HydrophobicContact CG2-CE2 4.28Å; I243-F247 VanDerWaalsContact O-CB 3.3Å; I243-F247 WeakPolarHBondContact O-CB 3.47Å; I243-F247 PolarHBondContact O-N 3.46Å; F244-F247 PolarHBondContact O-N 3.05Å; F245-F247 VanDerWaalsContact C-N 3.3Å; F245-F247 PolarHBondContact O-N 3.29Å; F247-Q249 VanDerWaalsContact C-N 3.25Å; F247-Q249 PolarHBondContact O-N 3.4Å; F247-D250 WeakPolarHBondContact O-CB 3.45Å; F247-D250 PolarHBondContact O-N 2.92Å; F247-V251 HydrophobicContact CD1-CG2 4.34Å; F247-V251 HydrophobicContact CE1-CG2 3.8Å; F247-V251 HydrophobicContact CE2-CG2 4.07Å; F247-V251 HydrophobicContact CZ-CG2 3.66Å; F247-V251 WeakPolarHBondContact O-CG2 3.25Å; F247-V251 PolarHBondContact O-N 3.4Å
248W83.2Confident83.8Confident132 Ų13248.7 Ų48.750%0.523%0.228SC..Hα-helixtrans-66.8-28.9178.7-85.4101.8000112.6F244 F245 V251 L252F244-W248 AromaticContact CD1-CD1 3.64Å; F244-W248 AromaticContact CD2-NE1 3.94Å; F244-W248 AromaticContact CE1-CD1 3.35Å; F244-W248 HydrophobicContact CE1-CG 4.48Å; F244-W248 AromaticContact CE1-NE1 3.38Å; F244-W248 AromaticContact CE2-CD1 3.76Å; F244-W248 AromaticContact CE2-NE1 3.25Å; F244-W248 VanDerWaalsContact CE2-NE1 3.25Å; F244-W248 AromaticContact CG-CD1 3.97Å; F244-W248 AromaticContact CZ-CD1 3.45Å; F244-W248 VanDerWaalsContact CZ-CD1 3.45Å; F244-W248 AromaticContact CZ-NE1 2.95Å; F244-W248 VanDerWaalsContact O-CD1 3.23Å; F244-W248 PolarHBondContact O-N 3.04Å; F245-W248 PolarHBondContact O-N 3.26Å; W248-V251 HydrophobicContact CE3-CG1 4.48Å; W248-V251 HydrophobicContact CZ3-CG1 4.5Å; W248-L252 WeakPolarHBondContact O-CB 3.21Å; W248-L252 PolarHBondContact O-N 3.14Å
249Q86.3Confident84Confident16 Ų1650.5 Ų50.58%0.07524%0.241CC..Hα-helixtrans-65.6-45.6171.1-69.5156.917.200110.5F245 S246 F247 V251 L252 F253 K278 L281 E285F245-Q249 WeakPolarHBondContact O-CB 3.49Å; F245-Q249 VanDerWaalsContact O-CD 3.23Å; F245-Q249 WeakPolarHBondContact O-CG 3.28Å; F245-Q249 PolarHBondContact O-N 3.17Å; F245-Q249 PolarHBondContact O-NE2 3.48Å; S246-Q249 WeakPolarHBondContact O-CB 3.29Å; S246-Q249 PolarHBondContact O-N 3.42Å; F247-Q249 VanDerWaalsContact C-N 3.25Å; F247-Q249 PolarHBondContact O-N 3.4Å; Q249-V251 VanDerWaalsContact C-N 3.33Å; Q249-V251 PolarHBondContact O-N 3.17Å; Q249-L252 PolarHBondContact O-N 3.1Å; Q249-F253 HydrophobicContact CB-CD2 4.44Å; Q249-F253 WeakPolarHBondContact O-CB 3.24Å; Q249-F253 WeakPolarHBondContact O-CD2 3.38Å; Q249-F253 PolarHBondContact O-N 3.33Å; Q249-K278 HydrophobicContact CB-CG 4.27Å; Q249-L281 VanDerWaalsContact CD-CD2 3.49Å; Q249-L281 HydrophobicContact CG-CD2 4.12Å; Q249-E285 PolarHBondContact NE2-OE2 3.44Å
250D86.3Confident83.8Confident55 Ų5557 Ų5729%0.29427%0.271SS..Hα-helixtrans-55.6-48.7174.3-70.2-42.7000111.3S246 F247 S254 K278S246-D250 PolarHBondContact O-N 3.15Å; F247-D250 WeakPolarHBondContact O-CB 3.45Å; F247-D250 PolarHBondContact O-N 2.92Å; D250-S254 VanDerWaalsContact O-CB 3.29Å; D250-S254 WeakPolarHBondContact O-CB 3.3Å; D250-S254 PolarHBondContact O-N 2.85Å; D250-S254 PolarHBondContact O-OG 3.27Å; D250-K278 WeakPolarHBondContact OD1-CD 3.26Å; D250-K278 WeakPolarHBondContact OD1-CE 3.26Å; D250-K278 IonicContact OD1-NZ 2.91Å; D250-K278 PolarHBondContact OD1-NZ 3.32Å
251V86.4Confident83.7Confident13 Ų1358.4 Ų58.48%0.07929%0.285CS..Hα-helixtrans-63.3-46.3178176.40000111.4F202 F247 W248 Q249 S254 I255F202-V251 HydrophobicContact CE2-CG1 4.49Å; F202-V251 HydrophobicContact CE2-CG2 4.05Å; F202-V251 HydrophobicContact CZ-CG1 4.47Å; F202-V251 HydrophobicContact CZ-CG2 4.46Å; F247-V251 HydrophobicContact CD1-CG2 4.34Å; F247-V251 HydrophobicContact CE1-CG2 3.8Å; F247-V251 HydrophobicContact CE2-CG2 4.07Å; F247-V251 HydrophobicContact CZ-CG2 3.66Å; F247-V251 WeakPolarHBondContact O-CG2 3.25Å; F247-V251 PolarHBondContact O-N 3.4Å; W248-V251 HydrophobicContact CE3-CG1 4.48Å; W248-V251 HydrophobicContact CZ3-CG1 4.5Å; Q249-V251 VanDerWaalsContact C-N 3.33Å; Q249-V251 PolarHBondContact O-N 3.17Å; V251-S254 PolarHBondContact O-N 3.36Å; V251-I255 HydrophobicContact CG1-CD1 3.72Å; V251-I255 HydrophobicContact CG1-CG1 4.41Å; V251-I255 VanDerWaalsContact O-CG1 3.32Å; V251-I255 WeakPolarHBondContact O-CG1 3.21Å; V251-I255 PolarHBondContact O-N 2.64Å
252L88.2Confident83.4Confident93 Ų9357.1 Ų57.149%0.48728%0.275SS..Hα-helixtrans-60.3-49.5-178.6178.565.7000111.3W248 Q249 S254 I255 L256W248-L252 WeakPolarHBondContact O-CB 3.21Å; W248-L252 PolarHBondContact O-N 3.14Å; Q249-L252 PolarHBondContact O-N 3.1Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 2.97Å; L252-I255 PolarHBondContact O-N 3.33Å; L252-L256 HydrophobicContact CD1-CD1 4.48Å; L252-L256 HydrophobicContact CG-CD1 4.16Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 3.48Å
253F87.8Confident82.8Confident24 Ų2460.9 Ų60.911%0.10530%0.295CS..Hα-helixtrans-67.3-33179.4-79.6-70.9000112.2Q249 L256 E257 I262 A274 K278Q249-F253 HydrophobicContact CB-CD2 4.44Å; Q249-F253 WeakPolarHBondContact O-CB 3.24Å; Q249-F253 WeakPolarHBondContact O-CD2 3.38Å; Q249-F253 PolarHBondContact O-N 3.33Å; F253-L256 HydrophobicContact CD1-CD1 4.14Å; F253-L256 HydrophobicContact CE1-CD1 4.36Å; F253-L256 PolarHBondContact O-N 2.81Å; F253-E257 WeakPolarHBondContact O-CB 3.28Å; F253-E257 PolarHBondContact O-N 3.25Å; F253-I262 HydrophobicContact CD1-CD1 4.34Å; F253-A274 HydrophobicContact CB-CB 4.28Å; F253-A274 HydrophobicContact CD1-CB 4.17Å; F253-K278 HydrophobicContact CD2-CB 3.56Å; F253-K278 HydrophobicContact CD2-CG 3.8Å; F253-K278 VanDerWaalsContact CE2-CA 3.42Å; F253-K278 HydrophobicContact CE2-CB 3.75Å; F253-K278 HydrophobicContact CE2-CG 4.15Å; F253-K278 HydrophobicContact CG-CB 4.14Å; F253-K278 HydrophobicContact CZ-CB 4.44Å
254S85.2Confident81.9Confident13 Ų1366.8 Ų66.89%0.09132%0.324CS..Hα-helixtrans-66.7-38.3173.6-56.60000112.6Y198 D250 V251 L252 W258Y198-S254 WeakPolarHBondContact OH-CB 3.42Å; Y198-S254 PolarHBondContact OH-OG 3.01Å; D250-S254 VanDerWaalsContact O-CB 3.29Å; D250-S254 WeakPolarHBondContact O-CB 3.3Å; D250-S254 PolarHBondContact O-N 2.85Å; D250-S254 PolarHBondContact O-OG 3.27Å; V251-S254 PolarHBondContact O-N 3.36Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 2.97Å; S254-W258 PolarHBondContact O-N 3.41Å
255I86.4Confident81.1Confident79 Ų7964.7 Ų64.741%0.40532%0.318SS..Hα-helixtrans-70.4-38.4174.2-66.9167.3000110.9V251 L252 E257 W258 S259V251-I255 HydrophobicContact CG1-CD1 3.72Å; V251-I255 HydrophobicContact CG1-CG1 4.41Å; V251-I255 VanDerWaalsContact O-CG1 3.32Å; V251-I255 WeakPolarHBondContact O-CG1 3.21Å; V251-I255 PolarHBondContact O-N 2.64Å; L252-I255 PolarHBondContact O-N 3.33Å; I255-E257 VanDerWaalsContact C-N 3.29Å; I255-E257 PolarHBondContact O-N 3.24Å; I255-W258 PolarHBondContact O-N 3.05Å; I255-S259 WeakPolarHBondContact O-CB 3.5Å; I255-S259 PolarHBondContact O-N 3.41Å; I255-S259 PolarHBondContact O-OG 2.71Å
256L86Confident80Confident47 Ų4764.7 Ų64.725%0.24633%0.33CS..Hα-helixtrans-64.2-35.5176.4-73.3172.3000112.3L252 F253 S259 V261 I262L252-L256 HydrophobicContact CD1-CD1 4.48Å; L252-L256 HydrophobicContact CG-CD1 4.16Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.36Å; L252-L256 PolarHBondContact O-N 3.48Å; F253-L256 HydrophobicContact CD1-CD1 4.14Å; F253-L256 HydrophobicContact CE1-CD1 4.36Å; F253-L256 PolarHBondContact O-N 2.81Å; L256-S259 WeakPolarHBondContact CA-OG 2.92Å; L256-S259 PolarHBondContact O-OG 3.39Å; L256-V261 HydrophobicContact CD2-CB 4.17Å; L256-V261 HydrophobicContact CD2-CG1 4.19Å; L256-V261 HydrophobicContact CD2-CG2 4.37Å; L256-V261 PolarHBondContact O-N 2.93Å; L256-I262 HydrophobicContact CB-CD1 3.84Å; L256-I262 HydrophobicContact CB-CG1 4.26Å
257E83.1Confident79.3Confident25 Ų2567.7 Ų67.712%0.11736%0.363CS..Hα-helixtrans-65.7-50171177.4168-154.500111.4F253 I255 S259 H260 T271F253-E257 WeakPolarHBondContact O-CB 3.28Å; F253-E257 PolarHBondContact O-N 3.25Å; I255-E257 VanDerWaalsContact C-N 3.29Å; I255-E257 PolarHBondContact O-N 3.24Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.4Å; E257-H260 PolarHBondContact O-N 3.27Å; E257-H260 VanDerWaalsContact O-N 3.16Å; E257-T271 WeakPolarHBondContact OE1-CG2 3.35Å; E257-T271 PolarHBondContact OE1-N 3.21Å
258W82.9Confident78.9Confident156 Ų15668 Ų6859%0.59136%0.363SS*.Hα-helixtrans-62.9-36179.417974.1000113.5F192 S254 I255 H260F192-W258 HydrophobicContact CD2-CB 3.92Å; F192-W258 AromaticContact CD2-CD1 3.71Å; F192-W258 HydrophobicContact CD2-CD2 4.5Å; F192-W258 AromaticContact CD2-CG 3.76Å; F192-W258 HydrophobicContact CD2-CG 3.76Å; F192-W258 HydrophobicContact CE2-CB 3.94Å; F192-W258 HydrophobicContact CE2-CG 4.21Å; S254-W258 PolarHBondContact O-N 3.41Å; I255-W258 PolarHBondContact O-N 3.05Å; W258-H260 PolarHBondContact O-N 2.91Å
259S84.6Confident78.9Confident52 Ų5264 Ų6436%0.36436%0.356SS..THydrogen-bonded Turntrans-77.43.5178.956.60000114.2I255 L256 E257 V261I255-S259 WeakPolarHBondContact O-CB 3.5Å; I255-S259 PolarHBondContact O-N 3.41Å; I255-S259 PolarHBondContact O-OG 2.71Å; L256-S259 WeakPolarHBondContact CA-OG 2.92Å; L256-S259 PolarHBondContact O-OG 3.39Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.4Å; S259-V261 PolarHBondContact O-N 3.28Å; S259-V261 VanDerWaalsContact O-N 3.11Å; S259-V261 WeakPolarHBondContact OG-CG2 3.31Å
260H77.2Confident78.7Confident140 Ų14064 Ų6465%0.64836%0.358SS*.THydrogen-bonded Turntrans55.124.2-177.8-59.9-65.1000114.1E257 W258 I262 N263E257-H260 PolarHBondContact O-N 3.27Å; E257-H260 VanDerWaalsContact O-N 3.16Å; W258-H260 PolarHBondContact O-N 2.91Å; H260-I262 VanDerWaalsContact C-N 3.27Å; H260-N263 PolarHBondContact O-OD1 3.4Å
261V76.6Confident78.5Confident96 Ų9662.4 Ų62.458%0.58235%0.35SS*.SBendtrans-70.3-33.5170.9175.70000109.7L256 S259L256-V261 HydrophobicContact CD2-CB 4.17Å; L256-V261 HydrophobicContact CD2-CG1 4.19Å; L256-V261 HydrophobicContact CD2-CG2 4.37Å; L256-V261 PolarHBondContact O-N 2.93Å; S259-V261 PolarHBondContact O-N 3.28Å; S259-V261 VanDerWaalsContact O-N 3.11Å; S259-V261 WeakPolarHBondContact OG-CG2 3.31Å
262I70.7Confident78.5Confident15 Ų1562.1 Ų62.18%0.07735%0.348CS..SBendtrans-99.1103.5173.6-56.3173.7000107.6F253 L256 H260 A270 I273 A274F253-I262 HydrophobicContact CD1-CD1 4.34Å; L256-I262 HydrophobicContact CB-CD1 3.84Å; L256-I262 HydrophobicContact CB-CG1 4.26Å; H260-I262 VanDerWaalsContact C-N 3.27Å; I262-A270 HydrophobicContact CG2-CB 4.19Å; I262-A270 WeakPolarHBondContact O-CB 3.32Å; I262-I273 HydrophobicContact CG2-CB 4.02Å; I262-I273 HydrophobicContact CG2-CG2 3.94Å; I262-A274 HydrophobicContact CD1-CB 3.83Å
263N69.8Low78.4Confident83 Ų8358 Ų5844%0.44433%0.327SS..  trans-96.1140.5179.7-74.4-32.8000111.3Y24 H260 T265Y24-N263 PolarHBondContact OH-N 3.29Å; Y24-N263 PolarHBondContact OH-O 3.04Å; H260-N263 PolarHBondContact O-OD1 3.4Å; N263-T265 PolarHBondContact O-N 2.89Å; N263-T265 VanDerWaalsContact O-N 3.16Å; N263-T265 PolarHBondContact O-OG1 2.96Å
264M65.4Low78.4Confident138 Ų13857.1 Ų57.168%0.6832%0.323SS*.  trans-54.4119.7171-171.9-177.5-165.800109.5Y268M264-Y268 VanDerWaalsContact CG-O 3.27Å; M264-Y268 WeakPolarHBondContact CG-O 3.29Å
265T65Low78.5Confident44 Ų4457.2 Ų57.227%0.2733%0.327SS..BIsolated β-bridgetrans-141.6142.6-175.9-55.50000109.9Y24 N263 G267 Y268Y24-T265 HydrophobicContact CD2-CG2 4.02Å; Y24-T265 HydrophobicContact CE2-CG2 4.25Å; Y24-T265 WeakPolarHBondContact CE2-OG1 3.19Å; N263-T265 PolarHBondContact O-N 2.89Å; N263-T265 VanDerWaalsContact O-N 3.16Å; N263-T265 PolarHBondContact O-OG1 2.96Å; T265-G267 VanDerWaalsContact C-N 3.3Å; T265-G267 PolarHBondContact O-N 3.48Å; T265-G267 VanDerWaalsContact O-N 3.13Å; T265-Y268 PolarHBondContact N-O 2.86Å; T265-Y268 PolarHBondContact O-N 3.25Å
266S63.1Low78.6Confident98 Ų9853.5 Ų53.569%0.68531%0.307SS*.THydrogen-bonded Turntrans52.137.8170.1510000115.6Y268S266-Y268 VanDerWaalsContact C-N 3.29Å; S266-Y268 WeakPolarHBondContact O-CD2 3.42Å; S266-Y268 PolarHBondContact O-N 3.45Å
267G68.1Low78.8Confident72 Ų7254 Ų5474%0.74231%0.306SS*.THydrogen-bonded Turntrans84.1-7.2178.400000115.4T265T265-G267 VanDerWaalsContact C-N 3.3Å; T265-G267 PolarHBondContact O-N 3.48Å; T265-G267 VanDerWaalsContact O-N 3.13Å
268Y74.6Confident79.2Confident38 Ų3853.9 Ų53.915%0.14931%0.306CS..BIsolated β-bridgetrans-90.7131.5176.5-71.8-97.3000110.8T28 M92 M264 T265 S266 L272T28-Y268 HydrophobicContact CG2-CD1 4.31Å; T28-Y268 HydrophobicContact CG2-CD2 4.47Å; T28-Y268 HydrophobicContact CG2-CE1 3.79Å; T28-Y268 HydrophobicContact CG2-CE2 3.93Å; M92-Y268 HydrophobicContact CE-CD1 4.22Å; M92-Y268 HydrophobicContact CE-CD2 4.42Å; M92-Y268 HydrophobicContact CE-CE1 3.45Å; M92-Y268 VanDerWaalsContact CE-CE1 3.45Å; M92-Y268 HydrophobicContact CE-CE2 3.7Å; M92-Y268 WeakPolarHBondContact CE-OH 3.1Å; M92-Y268 HydrophobicContact SD-CD1 3.55Å; M92-Y268 VanDerWaalsContact SD-CD1 3.55Å; M92-Y268 HydrophobicContact SD-CE1 3.13Å; M92-Y268 WeakPolarHBondContact SD-CE1 3.13Å; M92-Y268 HydrophobicContact SD-CE2 4.29Å; M92-Y268 HydrophobicContact SD-CG 4.25Å; M92-Y268 VanDerWaalsContact SD-CZ 3.57Å; M264-Y268 VanDerWaalsContact CG-O 3.27Å; M264-Y268 WeakPolarHBondContact CG-O 3.29Å; T265-Y268 PolarHBondContact N-O 2.86Å; T265-Y268 PolarHBondContact O-N 3.25Å; S266-Y268 VanDerWaalsContact C-N 3.29Å; S266-Y268 WeakPolarHBondContact O-CD2 3.42Å; S266-Y268 PolarHBondContact O-N 3.45Å; Y268-L272 HydrophobicContact CD1-CD2 3.39Å; Y268-L272 HydrophobicContact CE1-CD2 3.88Å
269S82.1Confident79.6Confident48 Ų4846.4 Ų46.434%0.33628%0.277SS..  trans-66.5149.9171.5-178.40000111.1T271 L272 I273S269-T271 VanDerWaalsContact C-N 3.27Å; S269-T271 WeakPolarHBondContact CB-OG1 3.01Å; S269-T271 PolarHBondContact O-N 3.37Å; S269-T271 PolarHBondContact OG-N 3.33Å; S269-T271 PolarHBondContact OG-OG1 2.98Å; S269-L272 PolarHBondContact O-N 3.45Å; S269-I273 PolarHBondContact O-N 2.82Å
270A83Confident79.9Confident15 Ų1544.8 Ų44.812%0.12426%0.264CS..Hα-helixtrans-58.2-4117400000111.6I262 L272 I273 A274I262-A270 HydrophobicContact CG2-CB 4.19Å; I262-A270 WeakPolarHBondContact O-CB 3.32Å; A270-L272 VanDerWaalsContact C-N 3.28Å; A270-L272 PolarHBondContact O-N 2.92Å; A270-I273 PolarHBondContact O-N 3.34Å; A270-A274 WeakPolarHBondContact O-CB 3.47Å; A270-A274 PolarHBondContact O-N 3.46Å
271T83.1Confident80.6Confident21 Ų2141.8 Ų41.813%0.12925%0.253CS..Hα-helixtrans-51-47.3173.556.50000112.3D94 V189 E257 S269 A274 G275D94-T271 PolarHBondContact OD1-OG1 3.35Å; V189-T271 HydrophobicContact CB-CG2 3.88Å; V189-T271 HydrophobicContact CG1-CG2 4.46Å; E257-T271 WeakPolarHBondContact OE1-CG2 3.35Å; E257-T271 PolarHBondContact OE1-N 3.21Å; S269-T271 VanDerWaalsContact C-N 3.27Å; S269-T271 WeakPolarHBondContact CB-OG1 3.01Å; S269-T271 PolarHBondContact O-N 3.37Å; S269-T271 PolarHBondContact OG-N 3.33Å; S269-T271 PolarHBondContact OG-OG1 2.98Å; T271-A274 PolarHBondContact O-N 3.41Å; T271-G275 PolarHBondContact O-N 2.92Å
272L85.8Confident81.4Confident8 Ų837.6 Ų37.64%0.04223%0.227CC..Hα-helixtrans-74.3-37.8-171.1-169.1132.8000111.1A88 Y268 S269 A270 G275 I276A88-L272 HydrophobicContact CB-CD1 4.25Å; A88-L272 HydrophobicContact CB-CD2 3.95Å; A88-L272 HydrophobicContact CB-CG 3.89Å; A88-L272 WeakPolarHBondContact O-CD2 3.31Å; Y268-L272 HydrophobicContact CD1-CD2 3.39Å; Y268-L272 HydrophobicContact CE1-CD2 3.88Å; S269-L272 PolarHBondContact O-N 3.45Å; A270-L272 VanDerWaalsContact C-N 3.28Å; A270-L272 PolarHBondContact O-N 2.92Å; L272-G275 PolarHBondContact O-N 3.41Å; L272-I276 HydrophobicContact CD2-CD1 3.91Å; L272-I276 WeakPolarHBondContact O-CG1 3.24Å; L272-I276 PolarHBondContact O-N 3.33Å
273I85.3Confident82.5Confident6 Ų636.9 Ų36.93%0.03122%0.223CC..Hα-helixtrans-64.8-46.1173.6-63.3167.8000110.5Y24 I262 S269 A270 G275 I276 Y277Y24-I273 HydrophobicContact CD1-CD1 4Å; Y24-I273 HydrophobicContact CD1-CG2 3.88Å; Y24-I273 HydrophobicContact CE1-CD1 3.99Å; Y24-I273 HydrophobicContact CE1-CG2 3.82Å; I262-I273 HydrophobicContact CG2-CB 4.02Å; I262-I273 HydrophobicContact CG2-CG2 3.94Å; S269-I273 PolarHBondContact O-N 2.82Å; A270-I273 PolarHBondContact O-N 3.34Å; I273-G275 VanDerWaalsContact C-N 3.27Å; I273-G275 PolarHBondContact O-N 2.88Å; I273-I276 PolarHBondContact O-N 2.91Å; I273-Y277 HydrophobicContact CG2-CD2 3.82Å; I273-Y277 HydrophobicContact CG2-CE2 3.61Å; I273-Y277 VanDerWaalsContact O-CD2 3.31Å; I273-Y277 WeakPolarHBondContact O-CD2 3.39Å; I273-Y277 PolarHBondContact O-N 2.94Å; I273-Y277 VanDerWaalsContact O-N 3.15Å
274A87.5Confident83.5Confident5 Ų536.8 Ų36.84%0.04122%0.222CC..Hα-helixtrans-58.1-43175.500000111.1F253 I262 A270 T271 I276 Y277 K278F253-A274 HydrophobicContact CB-CB 4.28Å; F253-A274 HydrophobicContact CD1-CB 4.17Å; I262-A274 HydrophobicContact CD1-CB 3.83Å; A270-A274 WeakPolarHBondContact O-CB 3.47Å; A270-A274 PolarHBondContact O-N 3.46Å; T271-A274 PolarHBondContact O-N 3.41Å; A274-I276 PolarHBondContact O-N 2.63Å; A274-Y277 PolarHBondContact O-N 3.03Å; A274-K278 VanDerWaalsContact O-CB 3.29Å; A274-K278 WeakPolarHBondContact O-CB 3.34Å; A274-K278 PolarHBondContact O-N 3.46Å
275G87.5Confident84.9Confident15 Ų1531.7 Ų31.716%0.15520%0.196CC..Hα-helixtrans-60.5-41.1174.500000114T271 L272 I273 N279T271-G275 PolarHBondContact O-N 2.92Å; L272-G275 PolarHBondContact O-N 3.41Å; I273-G275 VanDerWaalsContact C-N 3.27Å; I273-G275 PolarHBondContact O-N 2.88Å; G275-N279 WeakPolarHBondContact O-CB 3.41Å; G275-N279 PolarHBondContact O-N 3.44Å; G275-N279 PolarHBondContact O-ND2 3.23Å
276I89Confident86.2Confident1 Ų129.8 Ų29.81%0.00519%0.185CC..Hα-helixtrans-62.3-51.5177.1-69.9164.8000110.6A27 A88 I89 L272 I273 A274 K278 N279 L280A27-I276 HydrophobicContact CB-CG2 4.23Å; A88-I276 HydrophobicContact CB-CD1 3.93Å; A88-I276 HydrophobicContact CB-CG1 3.48Å; A88-I276 VanDerWaalsContact CB-CG1 3.48Å; I89-I276 HydrophobicContact CG1-CD1 3.97Å; I89-I276 HydrophobicContact CG1-CG1 4.48Å; L272-I276 HydrophobicContact CD2-CD1 3.91Å; L272-I276 WeakPolarHBondContact O-CG1 3.24Å; L272-I276 PolarHBondContact O-N 3.33Å; I273-I276 PolarHBondContact O-N 2.91Å; A274-I276 PolarHBondContact O-N 2.63Å; I276-K278 VanDerWaalsContact C-N 3.35Å; I276-K278 PolarHBondContact O-N 3.16Å; I276-N279 PolarHBondContact O-N 3.35Å; I276-L280 WeakPolarHBondContact O-CB 3.23Å; I276-L280 PolarHBondContact O-N 3.41Å
277Y89.9Confident87.7Confident57 Ų5726.2 Ų26.222%0.22416%0.159CC..Hα-helixtrans-64.7-40.2-178.8-75.4-63.9000112.4K23 A27 I273 A274 L280 L281K23-Y277 VanDerWaalsContact C-OH 3.26Å; K23-Y277 PolarHBondContact O-OH 2.88Å; A27-Y277 HydrophobicContact CB-CE1 3.91Å; A27-Y277 HydrophobicContact CB-CE2 3.96Å; I273-Y277 HydrophobicContact CG2-CD2 3.82Å; I273-Y277 HydrophobicContact CG2-CE2 3.61Å; I273-Y277 VanDerWaalsContact O-CD2 3.31Å; I273-Y277 WeakPolarHBondContact O-CD2 3.39Å; I273-Y277 PolarHBondContact O-N 2.94Å; I273-Y277 VanDerWaalsContact O-N 3.15Å; A274-Y277 PolarHBondContact O-N 3.03Å; Y277-L280 PolarHBondContact O-N 3.02Å; Y277-L281 WeakPolarHBondContact O-CB 3.41Å; Y277-L281 PolarHBondContact O-N 2.83Å
278K91.1Very high88.9Confident23 Ų2328.3 Ų28.310%0.115%0.152CC..Hα-helixtrans-55.1-56174.5-172.6-171.878.2166.50111.1Q249 D250 F253 A274 I276 L280 L281 I282Q249-K278 HydrophobicContact CB-CG 4.27Å; D250-K278 WeakPolarHBondContact OD1-CD 3.26Å; D250-K278 WeakPolarHBondContact OD1-CE 3.26Å; D250-K278 IonicContact OD1-NZ 2.91Å; D250-K278 PolarHBondContact OD1-NZ 3.32Å; F253-K278 HydrophobicContact CD2-CB 3.56Å; F253-K278 HydrophobicContact CD2-CG 3.8Å; F253-K278 VanDerWaalsContact CE2-CA 3.42Å; F253-K278 HydrophobicContact CE2-CB 3.75Å; F253-K278 HydrophobicContact CE2-CG 4.15Å; F253-K278 HydrophobicContact CG-CB 4.14Å; F253-K278 HydrophobicContact CZ-CB 4.44Å; A274-K278 VanDerWaalsContact O-CB 3.29Å; A274-K278 WeakPolarHBondContact O-CB 3.34Å; A274-K278 PolarHBondContact O-N 3.46Å; I276-K278 VanDerWaalsContact C-N 3.35Å; I276-K278 PolarHBondContact O-N 3.16Å; K278-L280 VanDerWaalsContact C-N 3.33Å; K278-L280 PolarHBondContact O-N 2.83Å; K278-L281 PolarHBondContact O-N 3.49Å; K278-I282 HydrophobicContact CG-CD1 4.14Å; K278-I282 WeakPolarHBondContact O-CG1 3.17Å; K278-I282 PolarHBondContact O-N 3.35Å
279N91.6Very high89.7Confident0 Ų027 Ų270%015%0.148CC..Hα-helixtrans-69.4-30.7-176.2-74.8-66.9000113.1Y80 S81 S84 V85 G275 I276 L281 I282 C283Y80-N279 WeakPolarHBondContact CE1-OD1 3.39Å; S81-N279 PolarHBondContact OG-OD1 3.08Å; S84-N279 PolarHBondContact OG-ND2 2.98Å; V85-N279 HydrophobicContact CG2-CB 3.71Å; G275-N279 WeakPolarHBondContact O-CB 3.41Å; G275-N279 PolarHBondContact O-N 3.44Å; G275-N279 PolarHBondContact O-ND2 3.23Å; I276-N279 PolarHBondContact O-N 3.35Å; N279-L281 VanDerWaalsContact C-N 3.34Å; N279-I282 PolarHBondContact O-N 3.4Å; N279-C283 PolarHBondContact O-N 3.44Å; N279-C283 PolarHBondContact O-SG 2.66Å; N279-C283 VanDerWaalsContact O-SG 3.35Å
280L91.4Very high90.3Very high17 Ų1724.8 Ų24.89%0.08913%0.132CC..Hα-helixtrans-63.5-42.3171.9-175.966000111.5A32 I35 A36 I276 Y277 K278 C283 I284A32-L280 HydrophobicContact CB-CD2 4.36Å; I35-L280 HydrophobicContact CG2-CD1 4.32Å; A36-L280 HydrophobicContact CB-CD1 3.95Å; I276-L280 WeakPolarHBondContact O-CB 3.23Å; I276-L280 PolarHBondContact O-N 3.41Å; Y277-L280 PolarHBondContact O-N 3.02Å; K278-L280 VanDerWaalsContact C-N 3.33Å; K278-L280 PolarHBondContact O-N 2.83Å; L280-C283 PolarHBondContact O-N 2.68Å; L280-I284 PolarHBondContact O-N 3.37Å
281L92Very high90.7Very high77 Ų7727.7 Ų27.740%0.40315%0.145SC..Hα-helixtrans-66-43.2177.9-166.1157.2000110.8Q249 Y277 K278 N279 C283 I284 E285Q249-L281 VanDerWaalsContact CD-CD2 3.49Å; Q249-L281 HydrophobicContact CG-CD2 4.12Å; Y277-L281 WeakPolarHBondContact O-CB 3.41Å; Y277-L281 PolarHBondContact O-N 2.83Å; K278-L281 PolarHBondContact O-N 3.49Å; N279-L281 VanDerWaalsContact C-N 3.34Å; L281-C283 VanDerWaalsContact C-N 3.34Å; L281-C283 PolarHBondContact O-N 2.73Å; L281-I284 PolarHBondContact O-N 2.89Å; L281-E285 PolarHBondContact O-N 3.44Å
282I92.6Very high91.1Very high8 Ų828.1 Ų28.14%0.04115%0.151CC..Hα-helixtrans-56.6-47.2173.3-66167.7000110.6Y77 S81 K278 N279 I284 E285 L286Y77-I282 HydrophobicContact CD1-CG2 4.46Å; S81-I282 VanDerWaalsContact OG-CG2 3.25Å; S81-I282 WeakPolarHBondContact OG-CG2 3.41Å; K278-I282 HydrophobicContact CG-CD1 4.14Å; K278-I282 WeakPolarHBondContact O-CG1 3.17Å; K278-I282 PolarHBondContact O-N 3.35Å; N279-I282 PolarHBondContact O-N 3.4Å; I282-I284 VanDerWaalsContact C-N 3.29Å; I282-I284 PolarHBondContact O-N 3.49Å; I282-E285 PolarHBondContact O-N 3.34Å; I282-E285 VanDerWaalsContact O-N 3.14Å; I282-L286 HydrophobicContact CG2-CD1 3.86Å; I282-L286 HydrophobicContact CG2-CG 3.99Å; I282-L286 VanDerWaalsContact O-CG 3.24Å; I282-L286 WeakPolarHBondContact O-CG 3.44Å; I282-L286 PolarHBondContact O-N 3.4Å
283C93.7Very high91.4Very high0 Ų027.8 Ų27.80%015%0.149CC..Hα-helixtrans-55.1-43.4178.3-77.10000112.7A36 C39 N279 L280 L281A36-C283 HydrophobicContact CB-CB 4.47Å; C39-C283 HydrophobicContact CB-CB 4.1Å; C39-C283 WeakPolarHBondContact CB-O 3.38Å; N279-C283 PolarHBondContact O-N 3.44Å; N279-C283 PolarHBondContact O-SG 2.66Å; N279-C283 VanDerWaalsContact O-SG 3.35Å; L280-C283 PolarHBondContact O-N 2.68Å; L281-C283 VanDerWaalsContact C-N 3.34Å; L281-C283 PolarHBondContact O-N 2.73Å
284I92.5Very high91.6Very high82 Ų8232.5 Ų32.542%0.42117%0.166SC..Hα-helixtrans-67.6-44.3178.1-64.8168000110.6L280 L281 I282 L286 V287L280-I284 PolarHBondContact O-N 3.37Å; L281-I284 PolarHBondContact O-N 2.89Å; I282-I284 VanDerWaalsContact C-N 3.29Å; I282-I284 PolarHBondContact O-N 3.49Å; I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.36Å; I284-V287 PolarHBondContact O-N 2.99Å
285E93.2Very high91.6Very high30 Ų3040.4 Ų40.414%0.1420%0.196CC..Hα-helixtrans-60.8-41.2178.3-175.2179.9169.100112F245 Q249 L281 I282 V287 I288 V289F245-E285 WeakPolarHBondContact CB-OE1 3.4Å; F245-E285 WeakPolarHBondContact CD2-OE1 3.36Å; Q249-E285 PolarHBondContact NE2-OE2 3.44Å; L281-E285 PolarHBondContact O-N 3.44Å; I282-E285 PolarHBondContact O-N 3.34Å; I282-E285 VanDerWaalsContact O-N 3.14Å; E285-V287 PolarHBondContact O-N 2.91Å; E285-V287 VanDerWaalsContact O-N 3.16Å; E285-I288 WeakPolarHBondContact O-CB 3.39Å; E285-I288 PolarHBondContact O-N 2.86Å; E285-V289 HydrophobicContact CG-CG2 3.95Å; E285-V289 WeakPolarHBondContact O-CB 3.33Å; E285-V289 VanDerWaalsContact O-CG2 3.32Å; E285-V289 WeakPolarHBondContact O-CG2 3.27Å; E285-V289 PolarHBondContact O-N 3.14Å
286L93.4Very high91.6Very high4 Ų439.8 Ų39.82%0.02119%0.189CC..Hα-helixtrans-59.2-29.4180-72.6172.8000113.1S43 V74 Y77 A78 I282 I284 S290S43-L286 WeakPolarHBondContact CB-O 3.3Å; V74-L286 HydrophobicContact CG1-CD2 4.28Å; V74-L286 HydrophobicContact CG2-CD2 4.35Å; Y77-L286 HydrophobicContact CD1-CD2 4.31Å; Y77-L286 HydrophobicContact CG-CD2 4.5Å; A78-L286 HydrophobicContact CB-CD1 4.02Å; I282-L286 HydrophobicContact CG2-CD1 3.86Å; I282-L286 HydrophobicContact CG2-CG 3.99Å; I282-L286 VanDerWaalsContact O-CG 3.24Å; I282-L286 WeakPolarHBondContact O-CG 3.44Å; I282-L286 PolarHBondContact O-N 3.4Å; I284-L286 VanDerWaalsContact C-N 3.33Å; I284-L286 PolarHBondContact O-N 3.36Å; L286-S290 VanDerWaalsContact O-CB 3.27Å; L286-S290 WeakPolarHBondContact O-CB 3.37Å; L286-S290 PolarHBondContact O-N 3.2Å; L286-S290 PolarHBondContact O-OG 2.82Å
287V94.5Very high91.4Very high24 Ų2439.9 Ų39.915%0.14519%0.19CC..Hα-helixtrans-65.7-49.4173.6178.80000110.1C39 L42 I284 E285 V289 S290 I291C39-V287 HydrophobicContact CB-CG2 3.82Å; C39-V287 WeakPolarHBondContact O-CG2 3.45Å; L42-V287 HydrophobicContact CD2-CG1 3.9Å; L42-V287 HydrophobicContact CD2-CG2 4.47Å; L42-V287 HydrophobicContact CG-CG1 4.48Å; I284-V287 PolarHBondContact O-N 2.99Å; E285-V287 PolarHBondContact O-N 2.91Å; E285-V287 VanDerWaalsContact O-N 3.16Å; V287-V289 VanDerWaalsContact C-N 3.31Å; V287-V289 PolarHBondContact O-N 3.15Å; V287-S290 PolarHBondContact O-N 2.96Å; V287-S290 PolarHBondContact O-OG 3.45Å; V287-I291 HydrophobicContact CG1-CD1 4.43Å; V287-I291 WeakPolarHBondContact O-CG1 3.22Å; V287-I291 PolarHBondContact O-N 2.89Å
288I93.1Very high91.2Very high116 Ų11639.2 Ų39.260%0.59519%0.192SC*.Hα-helixtrans-61.2-44.6178.4-58.2172.6000109.9E285 I291 A292E285-I288 WeakPolarHBondContact O-CB 3.39Å; E285-I288 PolarHBondContact O-N 2.86Å; I288-I291 PolarHBondContact O-N 3.23Å; I288-A292 PolarHBondContact O-N 3.32Å
289V92.4Very high90.8Very high11 Ų1141.4 Ų41.47%0.06720%0.2CC..Hα-helixtrans-61.1-44.9177.1164.90000111.8V74 I242 E285 V287 I291 A292 L293V74-V289 HydrophobicContact CG2-CG1 3.8Å; I242-V289 HydrophobicContact CD1-CB 4.46Å; I242-V289 HydrophobicContact CD1-CG1 3.23Å; I242-V289 HydrophobicContact CD1-CG2 4.45Å; I242-V289 HydrophobicContact CG1-CB 4.2Å; I242-V289 HydrophobicContact CG1-CG1 3.42Å; I242-V289 VanDerWaalsContact CG1-CG1 3.42Å; I242-V289 HydrophobicContact CG1-CG2 3.67Å; E285-V289 HydrophobicContact CG-CG2 3.95Å; E285-V289 WeakPolarHBondContact O-CB 3.33Å; E285-V289 VanDerWaalsContact O-CG2 3.32Å; E285-V289 WeakPolarHBondContact O-CG2 3.27Å; E285-V289 PolarHBondContact O-N 3.14Å; V287-V289 VanDerWaalsContact C-N 3.31Å; V287-V289 PolarHBondContact O-N 3.15Å; V289-I291 PolarHBondContact O-N 2.52Å; V289-A292 CarbonylContact O-C 3.6Å; V289-A292 WeakPolarHBondContact O-CB 3.4Å; V289-A292 PolarHBondContact O-N 3.38Å; V289-A292 VanDerWaalsContact O-N 3.09Å; V289-L293 HydrophobicContact CG1-CD1 3.94Å; V289-L293 HydrophobicContact CG1-CG 4.23Å; V289-L293 WeakPolarHBondContact O-CB 3.28Å; V289-L293 WeakPolarHBondContact O-CG 3.48Å; V289-L293 PolarHBondContact O-N 3.37Å
290S93.3Very high90.2Very high0 Ų044.8 Ų44.80%022%0.224CC..Hα-helixtrans-60.7-36.4179.671.60000111.8L286 V287 R294L286-S290 VanDerWaalsContact O-CB 3.27Å; L286-S290 WeakPolarHBondContact O-CB 3.37Å; L286-S290 PolarHBondContact O-N 3.2Å; L286-S290 PolarHBondContact O-OG 2.82Å; V287-S290 PolarHBondContact O-N 2.96Å; V287-S290 PolarHBondContact O-OG 3.45Å; S290-R294 PolarHBondContact O-N 3.08Å
291I92.6Very high89.7Confident76 Ų7647.1 Ų47.139%0.3924%0.236SC..Hα-helixtrans-69.5-45173.9-63.8167.2000110.1I46 V287 I288 V289 L293 R294 Y295I46-I291 HydrophobicContact CD1-CG1 4.33Å; V287-I291 HydrophobicContact CG1-CD1 4.43Å; V287-I291 WeakPolarHBondContact O-CG1 3.22Å; V287-I291 PolarHBondContact O-N 2.89Å; I288-I291 PolarHBondContact O-N 3.23Å; V289-I291 PolarHBondContact O-N 2.52Å; I291-L293 VanDerWaalsContact C-N 3.34Å; I291-L293 PolarHBondContact O-N 3.25Å; I291-R294 VanDerWaalsContact O-CB 3.32Å; I291-R294 WeakPolarHBondContact O-CB 3.37Å; I291-R294 PolarHBondContact O-N 3.02Å; I291-R294 VanDerWaalsContact O-N 3.15Å; I291-Y295 HydrophobicContact CG2-CD2 4.08Å; I291-Y295 HydrophobicContact CG2-CE2 3.68Å; I291-Y295 WeakPolarHBondContact O-CD2 3.09Å; I291-Y295 PolarHBondContact O-N 2.9Å
292A91.6Very high89.1Confident31 Ų3143.9 Ų43.926%0.25622%0.219SC..Hα-helixtrans-60.7-41.3177.100000112.4T238 I288 V289 R294 Y295 A296T238-A292 HydrophobicContact CG2-CB 3.79Å; I288-A292 PolarHBondContact O-N 3.32Å; V289-A292 CarbonylContact O-C 3.6Å; V289-A292 WeakPolarHBondContact O-CB 3.4Å; V289-A292 PolarHBondContact O-N 3.38Å; V289-A292 VanDerWaalsContact O-N 3.09Å; A292-R294 VanDerWaalsContact C-N 3.27Å; A292-R294 PolarHBondContact O-N 3.02Å; A292-Y295 PolarHBondContact O-N 3.07Å; A292-Y295 VanDerWaalsContact O-N 3.12Å; A292-A296 WeakPolarHBondContact O-CB 3.28Å; A292-A296 PolarHBondContact O-N 2.9Å
293L90.2Very high88.2Confident0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-62-34.2175.3-75.5173.2000112.5Q50 L71 V74 T238 I239 V289 I291 Y295 A296 F297Q50-L293 PolarHBondContact NE2-O 3.47Å; L71-L293 HydrophobicContact CD2-CB 4.06Å; L71-L293 HydrophobicContact CD2-CD1 4.16Å; L71-L293 HydrophobicContact CD2-CD2 4.46Å; L71-L293 HydrophobicContact CD2-CG 4.48Å; V74-L293 HydrophobicContact CB-CD1 4.41Å; V74-L293 HydrophobicContact CG2-CD1 3.34Å; T238-L293 HydrophobicContact CG2-CD2 3.78Å; T238-L293 HydrophobicContact CG2-CG 4Å; I239-L293 HydrophobicContact CD1-CD2 3.47Å; I239-L293 VanDerWaalsContact CD1-CD2 3.47Å; V289-L293 HydrophobicContact CG1-CD1 3.94Å; V289-L293 HydrophobicContact CG1-CG 4.23Å; V289-L293 WeakPolarHBondContact O-CB 3.28Å; V289-L293 WeakPolarHBondContact O-CG 3.48Å; V289-L293 PolarHBondContact O-N 3.37Å; I291-L293 VanDerWaalsContact C-N 3.34Å; I291-L293 PolarHBondContact O-N 3.25Å; L293-Y295 VanDerWaalsContact C-N 3.31Å; L293-Y295 PolarHBondContact O-N 3.02Å; L293-A296 PolarHBondContact O-N 2.95Å; L293-F297 HydrophobicContact CD2-CD2 3.91Å; L293-F297 HydrophobicContact CD2-CE2 3.76Å; L293-F297 PolarHBondContact O-N 3.42Å
294R90.2Very high86.5Confident106 Ų10654.5 Ų54.540%0.428%0.277SS..Hα-helixtrans-63.8-37.7174.6-167.2173.6-172.5172.12.9112.2H49 S290 I291 A292H49-R294 PolarHBondContact CE1-NH2 3.45Å; S290-R294 PolarHBondContact O-N 3.08Å; I291-R294 VanDerWaalsContact O-CB 3.32Å; I291-R294 WeakPolarHBondContact O-CB 3.37Å; I291-R294 PolarHBondContact O-N 3.02Å; I291-R294 VanDerWaalsContact O-N 3.15Å; A292-R294 VanDerWaalsContact C-N 3.27Å; A292-R294 PolarHBondContact O-N 3.02Å
295Y87.7Confident84.5Confident171 Ų17155 Ų5567%0.67128%0.277SS*.Hα-helixtrans-78.2-35.8175.1-71.2-69.6000113I291 A292 L293I291-Y295 HydrophobicContact CG2-CD2 4.08Å; I291-Y295 HydrophobicContact CG2-CE2 3.68Å; I291-Y295 WeakPolarHBondContact O-CD2 3.09Å; I291-Y295 PolarHBondContact O-N 2.9Å; A292-Y295 PolarHBondContact O-N 3.07Å; A292-Y295 VanDerWaalsContact O-N 3.12Å; L293-Y295 VanDerWaalsContact C-N 3.31Å; L293-Y295 PolarHBondContact O-N 3.02Å
296A87.1Confident82.1Confident1 Ų160.9 Ų60.91%0.00831%0.31CS..Hα-helixtrans-69.5-40.5178.800000112.4L234 K235 A292 L293 P298L234-A296 HydrophobicContact CG-CB 4.48Å; K235-A296 WeakPolarHBondContact CE-O 3.44Å; K235-A296 HydrophobicContact CG-CB 4.23Å; K235-A296 WeakPolarHBondContact CG-O 3.44Å; A292-A296 WeakPolarHBondContact O-CB 3.28Å; A292-A296 PolarHBondContact O-N 2.9Å; L293-A296 PolarHBondContact O-N 2.95Å; A296-P298 VanDerWaalsContact O-CD 3.25Å; A296-P298 WeakPolarHBondContact O-CD 3.45Å
297F86Confident79.3Confident3 Ų364.5 Ų64.51%0.01333%0.334CS..SBendtrans-120.566.9-177.3-57.5-78.9000111.7Q50 H54 I67 V70 L116 K235 I239 L293 Y299Q50-F297 PolarHBondContact NE2-O 2.95Å; H54-F297 PolarHBondContact NE2-O 3.17Å; H54-F297 VanDerWaalsContact NE2-O 3.15Å; I67-F297 HydrophobicContact CD1-CD1 4.45Å; I67-F297 HydrophobicContact CG1-CD1 4.19Å; I67-F297 HydrophobicContact CG2-CB 4.06Å; I67-F297 HydrophobicContact CG2-CD1 4.22Å; I67-F297 HydrophobicContact CG2-CG 4.22Å; V70-F297 HydrophobicContact CG1-CE2 4.49Å; L116-F297 HydrophobicContact CD2-CD1 4.47Å; L116-F297 HydrophobicContact CD2-CE1 3.71Å; L116-F297 HydrophobicContact CD2-CZ 4.47Å; K235-F297 HydrophobicContact CB-CE1 4.07Å; K235-F297 HydrophobicContact CB-CZ 3.93Å; K235-F297 HydrophobicContact CD-CD1 4.15Å; K235-F297 HydrophobicContact CD-CE1 3.82Å; K235-F297 HydrophobicContact CG-CD1 4.25Å; K235-F297 HydrophobicContact CG-CE1 3.86Å; K235-F297 HydrophobicContact CG-CZ 4.12Å; I239-F297 HydrophobicContact CD1-CE2 4.19Å; I239-F297 HydrophobicContact CG1-CE2 4.19Å; I239-F297 HydrophobicContact CG1-CZ 4.28Å; L293-F297 HydrophobicContact CD2-CD2 3.91Å; L293-F297 HydrophobicContact CD2-CE2 3.76Å; L293-F297 PolarHBondContact O-N 3.42Å; F297-Y299 PolarHBondContact O-N 2.74Å
298P85.4Confident76.4Confident43 Ų4368.4 Ų68.428%0.27936%0.36SS..  trans-65.9133.6179.629.2-34.5000110A296 S300 I301A296-P298 VanDerWaalsContact O-CD 3.25Å; A296-P298 WeakPolarHBondContact O-CD 3.45Å; P298-S300 VanDerWaalsContact C-N 3.27Å; P298-S300 PolarHBondContact O-N 2.91Å; P298-I301 HydrophobicContact CG-CG2 4.4Å; P298-I301 WeakPolarHBondContact O-CG1 3.33Å
299Y81.7Confident73.3Confident69 Ų6972.3 Ų72.327%0.27137%0.367SS..THydrogen-bonded Turntrans-75.1-17.9177.364.8-91.7000112.6F53 F297 I301 Y302 V303F53-Y299 HydrophobicContact CB-CD1 3.85Å; F53-Y299 HydrophobicContact CB-CD2 4.03Å; F53-Y299 HydrophobicContact CB-CE1 4.31Å; F53-Y299 HydrophobicContact CB-CE2 4.48Å; F53-Y299 HydrophobicContact CB-CG 3.7Å; F53-Y299 AromaticContact CD1-CD2 3.91Å; F53-Y299 HydrophobicContact CD1-CD2 3.91Å; F53-Y299 HydrophobicContact CD1-CE1 4.32Å; F53-Y299 AromaticContact CD1-CE2 3.63Å; F53-Y299 HydrophobicContact CD1-CE2 3.63Å; F53-Y299 HydrophobicContact CD1-CG 4.37Å; F53-Y299 AromaticContact CD1-CZ 3.86Å; F53-Y299 HydrophobicContact CE1-CE2 4.18Å; F53-Y299 HydrophobicContact CG-CD1 4.22Å; F53-Y299 HydrophobicContact CG-CD2 4.26Å; F53-Y299 HydrophobicContact CG-CE1 4.17Å; F53-Y299 HydrophobicContact CG-CE2 4.22Å; F53-Y299 HydrophobicContact CG-CG 4.27Å; F297-Y299 PolarHBondContact O-N 2.74Å; Y299-I301 PolarHBondContact O-N 2.79Å; Y299-Y302 PolarHBondContact O-N 3.36Å; Y299-V303 HydrophobicContact CD2-CG2 3.7Å; Y299-V303 HydrophobicContact CE2-CG2 4.13Å; Y299-V303 PolarHBondContact O-N 3.3Å
300S79.9Confident70.5Confident72 Ų7279.4 Ų79.450%0.50340%0.404SS..Hα-helixtrans-59.7-29.5-174.855.30000113.5P298 Y302 V303P298-S300 VanDerWaalsContact C-N 3.27Å; P298-S300 PolarHBondContact O-N 2.91Å; S300-Y302 PolarHBondContact O-N 2.91Å; S300-V303 PolarHBondContact O-N 3.41Å
301I81.4Confident67.5Low66 Ų6683.3 Ų83.334%0.33843%0.428SS..Hα-helixtrans-62.7-27176.267.8-175.9000111.9P298 Y299 H305P298-I301 HydrophobicContact CG-CG2 4.4Å; P298-I301 WeakPolarHBondContact O-CG1 3.33Å; Y299-I301 PolarHBondContact O-N 2.79Å; I301-H305 PolarHBondContact O-ND1 3.25Å
302Y78.9Confident64.8Low8 Ų888 Ų883%0.03145%0.445CS..Hα-helixtrans-94.6-13.5-179.1-59-67000113.6H54 T59 C60 E63 Q64 I67 Y299 S300 L304H54-Y302 AromaticContact CE1-CD2 3.74Å; H54-Y302 AromaticContact CE1-CE2 3.77Å; H54-Y302 AromaticContact ND1-CD2 3.64Å; H54-Y302 AromaticContact ND1-CE2 3.92Å; T59-Y302 PolarHBondContact OG1-O 2.84Å; C60-Y302 HydrophobicContact CB-CD1 4.04Å; C60-Y302 HydrophobicContact CB-CE1 3.91Å; E63-Y302 WeakPolarHBondContact OE2-CE1 3.3Å; E63-Y302 PolarHBondContact OE2-OH 3.46Å; Q64-Y302 HydrophobicContact CG-CD1 4.02Å; Q64-Y302 HydrophobicContact CG-CD2 4.08Å; Q64-Y302 HydrophobicContact CG-CE1 3.94Å; Q64-Y302 HydrophobicContact CG-CE2 3.98Å; Q64-Y302 HydrophobicContact CG-CG 4.11Å; Q64-Y302 VanDerWaalsContact NE2-CG 3.3Å; I67-Y302 HydrophobicContact CD1-CE2 3.81Å; I67-Y302 VanDerWaalsContact CD1-OH 3.26Å; I67-Y302 WeakPolarHBondContact CD1-OH 3.45Å; Y299-Y302 PolarHBondContact O-N 3.36Å; S300-Y302 PolarHBondContact O-N 2.91Å; Y302-L304 VanDerWaalsContact C-N 3.32Å
303V73.7Confident61.8Low75 Ų7593.4 Ų93.446%0.45547%0.47SS..Hα-helixtrans-73.7-23.3179.4179.80000112N57 Y299 S300N57-V303 HydrophobicContact CB-CG2 4.27Å; Y299-V303 HydrophobicContact CD2-CG2 3.7Å; Y299-V303 HydrophobicContact CE2-CG2 4.13Å; Y299-V303 PolarHBondContact O-N 3.3Å; S300-V303 PolarHBondContact O-N 3.41Å
304L57.2Low59Low156 Ų156100.7 Ų100.782%0.81751%0.508SS*.THydrogen-bonded Turntrans-134.234.3-172.5-161.365.2000114Y302Y302-L304 VanDerWaalsContact C-N 3.32Å
305H50.8Low56.1Low92 Ų92101.5 Ų101.543%0.42653%0.527SS..  trans-99.388.1160.2-82.973.1000108.6T59 I301 P307T59-H305 HydrophobicContact CG2-CB 4.46Å; T59-H305 VanDerWaalsContact CG2-O 3.32Å; T59-H305 WeakPolarHBondContact CG2-O 3.28Å; I301-H305 PolarHBondContact O-ND1 3.25Å; H305-P307 VanDerWaalsContact O-CD 3.29Å; H305-P307 WeakPolarHBondContact O-CD 3.01Å
306N42.8Very low53.3Low155 Ų15598.7 Ų98.783%0.82953%0.533SS*.  -58.3108.9126.3-79.4-18.7000102.2P308N306-P308 VanDerWaalsContact O-N 3.13Å
307P35.5Very low50.5Low79 Ų79105 Ų10551%0.51357%0.566SS.*  trans-52134.5-178.322.3-31.8000106H305 R309H305-P307 VanDerWaalsContact O-CD 3.29Å; H305-P307 WeakPolarHBondContact O-CD 3.01Å; P307-R309 HydrophobicContact CB-CG 4.45Å; P307-R309 HydrophobicContact CG-CG 4.17Å; P307-R309 PolarHBondContact O-N 3.28Å
308P32.6Very low47.8Very low107 Ų107110.9 Ų110.970%0.69560%0.598SS**  trans-65.378.9151.231.3-28000103.2N306 L310N306-P308 VanDerWaalsContact O-N 3.13Å; P308-L310 VanDerWaalsContact C-N 3.27Å; P308-L310 PolarHBondContact O-N 2.78Å
309R29.4Very low45.3Very low197 Ų197114.5 Ų114.574%0.74362%0.624SS**  trans-49.9117.1143.9-78.2-175.2178.1-174.3-0.5101.1P307 V311P307-R309 HydrophobicContact CB-CG 4.45Å; P307-R309 HydrophobicContact CG-CG 4.17Å; P307-R309 PolarHBondContact O-N 3.28Å; R309-V311 HydrophobicContact CB-CB 4.42Å; R309-V311 HydrophobicContact CB-CG2 3.32Å; R309-V311 HydrophobicContact CG-CG2 4.29Å; R309-V311 PolarHBondContact O-N 2.98Å
310L32.2Very low42.8Very low161 Ų161120.2 Ų120.284%0.84365%0.65SS**  trans-5869.7144.3-74.1162.5000105.2P308 F312P308-L310 VanDerWaalsContact C-N 3.27Å; P308-L310 PolarHBondContact O-N 2.78Å; L310-F312 PolarHBondContact O-N 3.33Å
311V31.7Very low40.2Very low82 Ų82129.5 Ų129.550%0.49768%0.675SS.*  trans-63.592.2151.9-171.6000099.6R309 D313R309-V311 HydrophobicContact CB-CB 4.42Å; R309-V311 HydrophobicContact CB-CG2 3.32Å; R309-V311 HydrophobicContact CG-CG2 4.29Å; R309-V311 PolarHBondContact O-N 2.98Å; V311-D313 PolarHBondContact O-N 3.4Å
312F35.3Very low37.5Very low173 Ų173130.1 Ų130.176%0.75969%0.685SS**  trans-46.5105.2138-84-89.7000103.2L310 L314L310-F312 PolarHBondContact O-N 3.33Å; F312-L314 PolarHBondContact O-N 2.89Å
313D28.5Very low35Very low146 Ų146136.5 Ų136.578%0.78172%0.72SS**  trans-57.782.9171.7-77.9-36.3000105.8V311 P315V311-D313 PolarHBondContact O-N 3.4Å; D313-P315 VanDerWaalsContact O-CD 3.28Å; D313-P315 WeakPolarHBondContact O-CD 3.35Å
314L32.4Very low33Very low153 Ų153140.8 Ų140.880%0.80174%0.74SS**  trans-65.8112.7161.3-81.6156.8000102.9F312 S316F312-L314 PolarHBondContact O-N 2.89Å; L314-S316 PolarHBondContact O-N 3.44Å
315P28.8Very low31.7Very low123 Ų123141.8 Ų141.880%0.79974%0.74SS**  trans-55.1129.8-172.818.5-28.9000109.2D313 N317D313-P315 VanDerWaalsContact O-CD 3.28Å; D313-P315 WeakPolarHBondContact O-CD 3.35Å; P315-N317 PolarHBondContact O-N 2.97Å
316S27.7Very low30.4Very low112 Ų112146.9 Ų146.978%0.78376%0.762SS**  trans-63.4127.4-179.855.40000110.7L314L314-S316 PolarHBondContact O-N 3.44Å
317N28.2Very low29.6Very low132 Ų132146.9 Ų146.971%0.70676%0.761SS**SBendtrans78.2119.5145.3-133.744.9000118.6P315P315-N317 PolarHBondContact O-N 2.97Å
318D30.6Very low29Very low128 Ų128151.8 Ų151.868%0.68478%0.775SS**SBendtrans58.9120.5144.2-58.7-21.2000119.2
319S33.1Very low28.7Very low119 Ų119149.9 Ų149.983%0.83277%0.768SS**  trans81.868.9168.173.50000118.1
320F29.4Very low28.4Very low188 Ų188146.9 Ų146.983%0.82577%0.772SS**  trans-141.512.6159-156.5-107.9000115.3S322F320-S322 PolarHBondContact O-N 3.48Å; F320-S322 VanDerWaalsContact O-N 3.14Å
321W24Very low28.2Very low267 Ų267148.8 Ų148.8100%1.01177%0.773SS**  trans-82.829.7174.5-74.4106.3000113.9
322S26Very low28.3Very low79 Ų79150.1 Ų150.155%0.55278%0.783SS**  trans-133.3115.6172.661.40000110.7F320F320-S322 PolarHBondContact O-N 3.48Å; F320-S322 VanDerWaalsContact O-N 3.14Å
323N26.1Very low27.6Very low142 Ų142146.3 Ų146.376%0.75978%0.778SS**  trans104.593.9158.2-49.9-20000114.5E325N323-E325 PolarHBondContact O-N 2.91Å; N323-E325 VanDerWaalsContact O-N 3.07Å
324D31.1Very low27.3Very low166 Ų166146.6 Ų146.689%0.88879%0.785SS**  trans-15.997137.9-63.6-49.6000113.3
325E30.1Very low26.7Very low176 Ų176142.8 Ų142.882%0.82278%0.783SS**  trans-162.95.4151.7-122.7176.1177.700116.7N323 L327N323-E325 PolarHBondContact O-N 2.91Å; N323-E325 VanDerWaalsContact O-N 3.07Å; E325-L327 VanDerWaalsContact C-N 3.32Å; E325-L327 PolarHBondContact O-N 2.83Å
326F24Very low26.3Very low199 Ų199147.4 Ų147.487%0.87379%0.791SS**  trans-97.952.4174.9-129.7-93.5000113.2
327L25.3Very low25.9Very low156 Ų156152.2 Ų152.282%0.81780%0.798SS**SBendtrans-114.640.7162.9-136.8154.4000109.4E325E325-L327 VanDerWaalsContact C-N 3.32Å; E325-L327 PolarHBondContact O-N 2.83Å
328F22.7Very low25.5Very low182 Ų182151 Ų15180%0.79880%0.8SS**  trans-148.5140.1168.8-91.4-79.6000111.9
329A26Very low25.1Very low66 Ų66149.4 Ų149.455%0.54580%0.798SS.*  trans72.197152.700000116.2
330T23Very low24.5Very low135 Ų135152.4 Ų152.483%0.82880%0.796SS**  65123.6102.759.30000115
331K27.7Very low24.2Very low200 Ų200150.3 Ų150.387%0.8779%0.794SS**  trans-8.5153.8153-76.1-178.3177.5177.20115.7
332P35.3Very low24.1Very low110 Ų110142.1 Ų142.171%0.71478%0.778SS**  cis-148.4-173.716.329.2-2000115.8
333S20.5Very low23.9Very low94 Ų94144.7 Ų144.766%0.65779%0.79SS**  trans57.4123.8137.7570000122.2
334V21.5Very low23.8Very low151 Ų151144.5 Ų144.592%0.91579%0.793SS**  trans42.8117132.2-171.60000117.8
335G20.1Very low23.3Very low74 Ų74145.4 Ų145.476%0.76379%0.79SS**  trans176.186160.300000114K337G335-K337 PolarHBondContact O-N 3.37Å
336F19.2Very low22.9Very low219 Ų219144.4 Ų144.496%0.96179%0.79SS**  trans-71.6120167.3-124.2-98.7000108.9
337K20Very low22.8Very low213 Ų213139.9 Ų139.993%0.92678%0.783SS**  trans-150.5140.7159.2-120.1176.7-176.1-178.60113.2G335G335-K337 PolarHBondContact O-N 3.37Å
338S20.2Very low22.9Very low108 Ų108139 Ų13976%0.75578%0.784SS**  trans-94.8158.6-170168.80000112.1
339S21.2Very low22.7Very low93 Ų93139 Ų13965%0.6578%0.784SS**  trans90.6115.1158.3-76.10000120.8
340K21.4Very low22.5Very low182 Ų182141.8 Ų141.879%0.79179%0.79SS**  66152.4122.8-66.9-171.4176.5-179.70120.9
341D22.4Very low22.4Very low144 Ų144141.7 Ų141.777%0.7778%0.784SS**  trans81.8104.2168.7-53.6-20.1000115.2
342S22.5Very low22.1Very low96 Ų96137 Ų13767%0.67178%0.776SS**  78.3119.267.877.10000114.7
343T21.4Very low21.4Very low132 Ų132136.2 Ų136.281%0.8177%0.774SS**  trans65.7121.315846.40000119.2
344V25.4Very low21.5Very low138 Ų138139.8 Ų139.884%0.83678%0.779SS**  174.6134.9112.9157.50000111.4
345F19.5Very low21.5Very low186 Ų186141.2 Ų141.282%0.81677%0.774SS**  trans-66.2146.5169-91.4-111.3000113.2
346N22.4Very low21.7Very low154 Ų154143.4 Ų143.482%0.82477%0.772SS**  174149.4119-89.1-23.1000114.7
347S21.7Very low22.3Very low105 Ų105138.6 Ų138.673%0.73476%0.763SS**  trans-59.6155.3176.555.40000117.9
348V26.5Very low22.5Very low138 Ų138132.9 Ų132.984%0.83676%0.755SS**  trans177.3115.6137.8162.40000106.2
349K19.3Very low22.6Very low180 Ų180133.8 Ų133.878%0.78376%0.757SS**  64.7125.771.3-101.9-170.1-179.5-176.80117.5
350D21.9Very low22.6Very low125 Ų125138.9 Ų138.967%0.66877%0.768SS**  trans101.4115.1147.7-64.5-10.8000122
351N21Very low22.8Very low134 Ų134137.3 Ų137.372%0.71777%0.773SS**  78.8112.3124.2-67.8-17.8000124
352S19.9Very low22.8Very low101 Ų101133.4 Ų133.471%0.70677%0.766SS**  77.2123.6120.273.50000122.1
353S21.3Very low22.9Very low94 Ų94139.9 Ų139.966%0.65778%0.778SS**  trans89.8138.3132.172.30000121.4
354H23.6Very low23.1Very low168 Ų168137.9 Ų137.978%0.77878%0.775SS**  trans90.799.2165.1-62.3-74.1000117.7
355F20.3Very low23.1Very low182 Ų182136.6 Ų136.680%0.79877%0.769SS**  79.8120.682.3-110.6-106.5000115.9
356T24.4Very low23.4Very low119 Ų119132.2 Ų132.273%0.7376%0.761SS**  trans88.2153.5140.5400000122.6
357P31.6Very low23.7Very low119 Ų119132 Ų13277%0.77377%0.766SS**  -122.7-170-13032-8.7000114.3
358A23.7Very low24Very low92 Ų92135.1 Ų135.176%0.7677%0.767SS**  trans90.9122.8-177.900000112.2
359T24.3Very low24.2Very low128 Ų128139.1 Ų139.179%0.78577%0.768SS**  -169.9139.458.2-50.40000109.5
360F21.2Very low24.9Very low200 Ų200135.1 Ų135.188%0.87777%0.769SS**  trans-6.8124.7156.8-95.7-112.6000117.5
361V24.6Very low25.3Very low148 Ų148137.6 Ų137.690%0.89778%0.776SS**  trans-154.2119.8132.9178.10000109.7
362G23.2Very low26Very low62 Ų62134.9 Ų134.964%0.63977%0.766SS**  trans49.9103.1142.500000118.8A364G362-A364 VanDerWaalsContact C-N 3.33Å; G362-A364 PolarHBondContact O-N 3.45Å
363Y24.5Very low26.9Very low233 Ų233133.2 Ų133.291%0.91475%0.749SS**  trans-50.398150.1-86.5-99.1000109.5
364A23.8Very low27.5Very low89 Ų89132.7 Ų132.774%0.73674%0.743SS**  trans-91.3107.1147.200000104.9G362 S366G362-A364 VanDerWaalsContact C-N 3.33Å; G362-A364 PolarHBondContact O-N 3.45Å; A364-S366 PolarHBondContact O-N 3.48Å
365P27.3Very low28.8Very low111 Ų111126.9 Ų126.972%0.72171%0.714SS**  trans-57.1121.2173.4-17.829.5000107.5T367P365-T367 PolarHBondContact O-N 2.96Å
366S25.6Very low29.8Very low94 Ų94120.4 Ų120.466%0.65769%0.688SS**  trans-49.6137.5167.846.10000108.4A364 K368A364-S366 PolarHBondContact O-N 3.48Å; S366-K368 PolarHBondContact O-N 3.29Å
367T28.9Very low30.8Very low150 Ų150117.9 Ų117.992%0.9267%0.669SS**  trans-59.572.6171.747.70000110.4P365P365-T367 PolarHBondContact O-N 2.96Å
368K26.4Very low31.3Very low171 Ų171116.2 Ų116.274%0.74366%0.657SS**SBendtrans-96.1126.1148.3-78.3-176.8175.5-1790104.2S366 A370S366-K368 PolarHBondContact O-N 3.29Å; K368-A370 PolarHBondContact O-N 2.76Å; K368-A370 VanDerWaalsContact O-N 3.14Å
369Y31.3Very low32.1Very low222 Ų222114.9 Ų114.987%0.87164%0.637SS**  trans-11.7111.7167.3-60.8-89.1000111.1E371Y369-E371 PolarHBondContact O-N 3.05Å
370A34.5Very low32.5Very low96 Ų96111.7 Ų111.779%0.79362%0.618SS**PPolyproline II helixtrans-46.2117.3167.100000105.6K368K368-A370 PolarHBondContact O-N 2.76Å; K368-A370 VanDerWaalsContact O-N 3.14Å
371E29.2Very low33.1Very low176 Ų176107.6 Ų107.682%0.82260%0.602SS**PPolyproline II helixtrans-53.5120.9-179.3-152.7167.6-157.400105.2Y369 L373Y369-E371 PolarHBondContact O-N 3.05Å; E371-L373 PolarHBondContact O-N 2.82Å; E371-L373 VanDerWaalsContact O-N 3.07Å
372P35.5Very low33.7Very low78 Ų78106.6 Ų106.651%0.50659%0.591SS.*PPolyproline II helixtrans-54.6126.3-174.419.8-30.3000107D376 V378P372-D376 HydrophobicContact CB-CB 4.37Å; P372-V378 HydrophobicContact CB-CG2 4.24Å; P372-V378 HydrophobicContact CG-CG2 4.44Å
373L39.9Very low34Very low66 Ų66110.6 Ų110.635%0.34660%0.597SS.*PPolyproline II helixtrans-61.7146.8-179-64.7156.3000106.6E371 W375 D376E371-L373 PolarHBondContact O-N 2.82Å; E371-L373 VanDerWaalsContact O-N 3.07Å; L373-W375 HydrophobicContact CB-CD2 3.59Å; L373-W375 HydrophobicContact CB-CE3 3.94Å; L373-W375 HydrophobicContact CB-CG 4.2Å; L373-W375 HydrophobicContact CB-CH2 3.9Å; L373-W375 HydrophobicContact CB-CZ2 3.54Å; L373-W375 HydrophobicContact CB-CZ3 4.07Å; L373-W375 HydrophobicContact CD1-CH2 4.36Å; L373-W375 HydrophobicContact CD1-CZ2 3.48Å; L373-W375 VanDerWaalsContact CD1-CZ2 3.48Å; L373-W375 HydrophobicContact CD2-CH2 3.68Å; L373-W375 HydrophobicContact CD2-CZ2 3.67Å; L373-W375 HydrophobicContact CD2-CZ3 4.41Å; L373-W375 HydrophobicContact CG-CH2 4.16Å; L373-W375 HydrophobicContact CG-CZ2 3.72Å; L373-W375 PolarHBondContact O-N 3.31Å; L373-D376 PolarHBondContact N-OD2 3.05Å; L373-D376 PolarHBondContact O-N 2.87Å
374P34Very low34.1Very low83 Ų83104.8 Ų104.854%0.53958%0.582SS.*THydrogen-bonded Turntrans-56.2-5.3-177.5-27.834.3000115.8H421 Y427P374-H421 PolarHBondContact O-CE1 3.19Å; P374-Y427 PolarHBondContact O-OH 3.46Å
375W51.7Low34.1Very low46 Ų46103 Ų10317%0.17457%0.572CS.*THydrogen-bonded Turntrans-103.6-14.3174.745.398000114.8L373 Y427L373-W375 HydrophobicContact CB-CD2 3.59Å; L373-W375 HydrophobicContact CB-CE3 3.94Å; L373-W375 HydrophobicContact CB-CG 4.2Å; L373-W375 HydrophobicContact CB-CH2 3.9Å; L373-W375 HydrophobicContact CB-CZ2 3.54Å; L373-W375 HydrophobicContact CB-CZ3 4.07Å; L373-W375 HydrophobicContact CD1-CH2 4.36Å; L373-W375 HydrophobicContact CD1-CZ2 3.48Å; L373-W375 VanDerWaalsContact CD1-CZ2 3.48Å; L373-W375 HydrophobicContact CD2-CH2 3.68Å; L373-W375 HydrophobicContact CD2-CZ2 3.67Å; L373-W375 HydrophobicContact CD2-CZ3 4.41Å; L373-W375 HydrophobicContact CG-CH2 4.16Å; L373-W375 HydrophobicContact CG-CZ2 3.72Å; L373-W375 PolarHBondContact O-N 3.31Å; W375-Y427 WeakPolarHBondContact CA-OH 3.44Å; W375-Y427 HydrophobicContact CB-CE1 4.44Å; W375-Y427 WeakPolarHBondContact CB-OH 3.49Å; W375-Y427 PolarHBondContact N-OH 2.84Å; W375-Y427 VanDerWaalsContact N-OH 3.11Å
376D39.8Very low34.1Very low45 Ų45100 Ų10024%0.24156%0.562CS.*SBendtrans-64.9139.4-179.4-72.1-37.2000110.2G125 P372 L373 V378G125-D376 PolarHBondContact N-OD1 3.45Å; P372-D376 HydrophobicContact CB-CB 4.37Å; L373-D376 PolarHBondContact N-OD2 3.05Å; L373-D376 PolarHBondContact O-N 2.87Å; D376-V378 VanDerWaalsContact C-N 3.29Å; D376-V378 PolarHBondContact O-N 2.83Å
377I45.4Very low34.3Very low67 Ų67100.6 Ų100.634%0.34455%0.553SS.*  trans-67.393.3172.8-58.8171.3000107.1D379I377-D379 PolarHBondContact O-N 3.24Å
378V43.2Very low34.3Very low83 Ų83101.1 Ų101.150%0.50355%0.545SS..  trans-71.3111.4166.2-178.80000106.4P372 D376 P380P372-V378 HydrophobicContact CB-CG2 4.24Å; P372-V378 HydrophobicContact CG-CG2 4.44Å; D376-V378 VanDerWaalsContact C-N 3.29Å; D376-V378 PolarHBondContact O-N 2.83Å; V378-P380 WeakPolarHBondContact O-CD 3.3Å; V378-P380 VanDerWaalsContact O-N 3.08Å
379D40.5Very low34.4Very low64 Ų64100.9 Ų100.934%0.34255%0.547SS..  trans-53.4116.5170.4-78.4-45.5000108.1R65 I377 Q381 L382R65-D379 IonicContact CZ-OD1 3.88Å; R65-D379 IonicContact NH1-OD1 2.84Å; R65-D379 PolarHBondContact NH1-OD1 3.47Å; R65-D379 IonicContact NH2-OD1 3.29Å; I377-D379 PolarHBondContact O-N 3.24Å; D379-Q381 PolarHBondContact O-N 2.83Å; D379-L382 PolarHBondContact O-N 3.23Å
380P32.2Very low34.2Very low61 Ų6194.4 Ų94.440%0.39653%0.53SS..Hα-helixtrans-60.1-19.3-178-23.432.9000113.2V378V378-P380 WeakPolarHBondContact O-CD 3.3Å; V378-P380 VanDerWaalsContact O-N 3.08Å
381Q34.6Very low33.7Very low114 Ų11498.2 Ų98.253%0.53352%0.524SS..Hα-helixtrans-87.4-5.2-179.1-64.5-65.4-53.800114D379D379-Q381 PolarHBondContact O-N 2.83Å
382L35.7Very low33.6Very low128 Ų12895.1 Ų95.167%0.6751%0.513SS*.Hα-helixtrans-81.1-25.1170.8-152.279000111.7D379D379-L382 PolarHBondContact O-N 3.23Å
383N29.3Very low33.5Very low145 Ų14598.2 Ų98.278%0.77553%0.531SS*.Hα-helixtrans-101.5-22-175.6-139.914000114.1
384N26.4Very low33Very low112 Ų112104.1 Ų104.160%0.59955%0.554SS**SBendtrans-87118.7163-80.6-18.8000107.2G386N384-G386 PolarHBondContact O-N 3.45Å
385G25.7Very low32.6Very low50 Ų50105 Ų10552%0.51555%0.554SS.*THydrogen-bonded Turntrans-57.223.9-176.100000117.8F387G385-F387 VanDerWaalsContact C-N 3.34Å
386G26Very low31.8Very low50 Ų50108.4 Ų108.452%0.51559%0.585SS.*THydrogen-bonded Turntrans-75.2-15.4169.900000114.5N384N384-G386 PolarHBondContact O-N 3.45Å
387F30.5Very low31.4Very low106 Ų106111.2 Ų111.247%0.46561%0.608SS.*THydrogen-bonded Turntrans-97.8-33.1175.2-156.7-102.6000113.3G385 E389 T390 W391G385-F387 VanDerWaalsContact C-N 3.34Å; F387-E389 VanDerWaalsContact C-N 3.32Å; F387-E389 PolarHBondContact O-N 2.84Å; F387-T390 PolarHBondContact O-N 2.61Å; F387-T390 PolarHBondContact O-OG1 3.24Å; F387-W391 AromaticContact CE1-CD1 3.98Å
388E28.6Very low31Very low160 Ų160113.1 Ų113.175%0.74862%0.622SS**G310 helixtrans-65.1-30.2177.4-78.4-165143.800113.4T390 W391E388-T390 PolarHBondContact O-N 3.49Å; E388-T390 VanDerWaalsContact O-N 3.17Å; E388-W391 PolarHBondContact O-N 2.99Å
389E27.5Very low31Very low167 Ų167116.4 Ų116.478%0.7864%0.636SS**G310 helixtrans-66.2-17.3176.1-82.2-166.7155.900113.8F387F387-E389 VanDerWaalsContact C-N 3.32Å; F387-E389 PolarHBondContact O-N 2.84Å
390T28.3Very low31.6Very low85 Ų85117 Ų11752%0.52164%0.642SS.*G310 helixtrans-90.7-16.9179.3590000114.4F387 E388F387-T390 PolarHBondContact O-N 2.61Å; F387-T390 PolarHBondContact O-OG1 3.24Å; E388-T390 PolarHBondContact O-N 3.49Å; E388-T390 VanDerWaalsContact O-N 3.17Å
391W24.7Very low33.2Very low176 Ų176117.2 Ų117.267%0.66765%0.646SS**  trans-112.450.5176.3-74.996.9000112F387 E388 T393F387-W391 AromaticContact CE1-CD1 3.98Å; E388-W391 PolarHBondContact O-N 2.99Å; W391-T393 PolarHBondContact O-N 3.41Å
392N26.2Very low34.7Very low112 Ų112115.7 Ų115.760%0.59964%0.641SS**  trans-65.8114.9155.3-122.7-36.6000107.2K394 N395N392-K394 PolarHBondContact O-N 3.36Å; N392-N395 PolarHBondContact O-N 3.32Å
393T32.7Very low36.2Very low142 Ų142113.5 Ų113.587%0.87164%0.636SS**THydrogen-bonded Turntrans-56.24.9-179.534.10000115.1W391W391-T393 PolarHBondContact O-N 3.41Å
394K29.3Very low38.1Very low191 Ų191109 Ų10983%0.8362%0.618SS**THydrogen-bonded Turntrans-94.8-11.7170-75.4-176.1174.8178.30115N392N392-K394 PolarHBondContact O-N 3.36Å
395N26.6Very low40.1Very low101 Ų101104.1 Ų104.154%0.5459%0.593SS.*  trans-123.869.5-177.1-76.5-8.3000113.2N392 S397N392-N395 PolarHBondContact O-N 3.32Å; N395-S397 PolarHBondContact O-N 3.43Å
396S34.7Very low42.3Very low118 Ų118104.7 Ų104.783%0.82558%0.584SS**THydrogen-bonded Turntrans-6827.1174-174.50000114.8
397S32.2Very low44.4Very low103 Ų103110.4 Ų110.472%0.7259%0.594SS**THydrogen-bonded Turntrans-145.814.5-176.761.40000116.9N395 I399N395-S397 PolarHBondContact O-N 3.43Å; S397-I399 PolarHBondContact O-N 3.48Å
398V36.8Very low46.1Very low108 Ų108108.5 Ų108.566%0.65560%0.598SS**  trans-92.888.6169.5-171.40000108.8P400V398-P400 WeakPolarHBondContact O-CD 3.33Å
399I42.4Very low48Very low152 Ų152100.9 Ų100.978%0.77956%0.563SS**PPolyproline II helixtrans-58.2119.3162.6-59.3172.9000105.8S397 S401S397-I399 PolarHBondContact O-N 3.48Å; I399-S401 PolarHBondContact O-N 3.4Å
400P52.8Low50.2Low75 Ų7596.9 Ų96.949%0.48755%0.546SS..PPolyproline II helixtrans-54.9136.5174.220-29.3000108.8V398 I402V398-P400 WeakPolarHBondContact O-CD 3.33Å; P400-I402 PolarHBondContact O-N 2.69Å
401S66.7Low52.5Low67 Ų6796 Ų9647%0.46954%0.538SS..PPolyproline II helixtrans-54.9142.6-178.964.20000109.8I399 S403 A404 S405I399-S401 PolarHBondContact O-N 3.4Å; S401-S403 PolarHBondContact O-N 2.77Å; S401-S403 PolarHBondContact OG-OG 3.34Å; S401-A404 WeakPolarHBondContact O-CB 3.08Å; S401-A404 PolarHBondContact O-N 3.45Å; S401-A404 PolarHBondContact OG-N 3.44Å; S401-S405 PolarHBondContact O-N 2.85Å
402I65Low55Low82 Ų8291.2 Ų91.242%0.42153%0.53SS..Hα-helixtrans-51.5-33.1179.4-64.9172.3000111Y52 L55 P400 S405 I406Y52-I402 HydrophobicContact CE2-CD1 4.43Å; L55-I402 HydrophobicContact CD1-CG2 4.12Å; P400-I402 PolarHBondContact O-N 2.69Å; I402-S405 PolarHBondContact O-N 3.21Å; I402-I406 HydrophobicContact CG2-CD1 3.79Å; I402-I406 HydrophobicContact CG2-CG1 4.33Å; I402-I406 WeakPolarHBondContact O-CB 3.37Å; I402-I406 VanDerWaalsContact O-CG1 3.26Å; I402-I406 WeakPolarHBondContact O-CG1 3.13Å; I402-I406 PolarHBondContact O-N 3.18Å
403S69Low57.5Low82 Ų8288.9 Ų88.957%0.57352%0.519SS*.Hα-helixtrans-64.6-41.6175.857.20000113.7S401 I406 K407S401-S403 PolarHBondContact O-N 2.77Å; S401-S403 PolarHBondContact OG-OG 3.34Å; S403-I406 PolarHBondContact O-N 3.03Å; S403-K407 WeakPolarHBondContact O-CB 3.42Å; S403-K407 PolarHBondContact O-N 2.89Å
404A67.3Low59.7Low49 Ų4982.9 Ų82.941%0.40548%0.482SS..Hα-helixtrans-64.9-43.6175.800000110.8S401 I406 K407 A408S401-A404 WeakPolarHBondContact O-CB 3.08Å; S401-A404 PolarHBondContact O-N 3.45Å; S401-A404 PolarHBondContact OG-N 3.44Å; A404-I406 PolarHBondContact O-N 3.03Å; A404-K407 PolarHBondContact O-N 2.87Å; A404-A408 PolarHBondContact O-N 3.4Å
405S70.2Confident62.2Low10 Ų1075 Ų757%0.0745%0.449CS..Hα-helixtrans-61.2-43.6176.6-55.40000111.9S401 I402 T409S401-S405 PolarHBondContact O-N 2.85Å; I402-S405 PolarHBondContact O-N 3.21Å; S405-T409 WeakPolarHBondContact O-CB 3.45Å; S405-T409 PolarHBondContact O-N 3.11Å; S405-T409 PolarHBondContact O-OG1 2.93Å
406I70.6Confident64.7Low63 Ų6375.6 Ų75.632%0.32345%0.451SS..Hα-helixtrans-63.7-44.6175.6-71.9170.7000111.2L55 I402 S403 A404 T409 I410L55-I406 HydrophobicContact CD1-CD1 3.97Å; L55-I406 HydrophobicContact CD1-CG1 3.79Å; L55-I406 HydrophobicContact CD2-CG1 4.18Å; I402-I406 HydrophobicContact CG2-CD1 3.79Å; I402-I406 HydrophobicContact CG2-CG1 4.33Å; I402-I406 WeakPolarHBondContact O-CB 3.37Å; I402-I406 VanDerWaalsContact O-CG1 3.26Å; I402-I406 WeakPolarHBondContact O-CG1 3.13Å; I402-I406 PolarHBondContact O-N 3.18Å; S403-I406 PolarHBondContact O-N 3.03Å; A404-I406 PolarHBondContact O-N 3.03Å; I406-T409 CarbonylContact O-C 3.49Å; I406-T409 WeakPolarHBondContact O-CA 3.46Å; I406-T409 WeakPolarHBondContact O-CB 3.35Å; I406-T409 PolarHBondContact O-N 3.41Å; I406-T409 VanDerWaalsContact O-N 3.11Å; I406-I410 HydrophobicContact CG2-CD1 3.59Å; I406-I410 HydrophobicContact CG2-CG1 4.35Å; I406-I410 WeakPolarHBondContact O-CG1 3.5Å; I406-I410 PolarHBondContact O-N 3.48Å
407K71.2Confident67Low169 Ų16973.7 Ų73.774%0.73543%0.434SS*.Hα-helixtrans-62.4-47.8-179.1-173.3179.9178.7-174.70111.6S403 A404 T409 I410 D411S403-K407 WeakPolarHBondContact O-CB 3.42Å; S403-K407 PolarHBondContact O-N 2.89Å; A404-K407 PolarHBondContact O-N 2.87Å; K407-T409 PolarHBondContact O-N 3.26Å; K407-I410 PolarHBondContact O-N 3.23Å; K407-D411 PolarHBondContact O-N 2.93Å
408A65.4Low69.1Low66 Ų6669.2 Ų69.255%0.54540%0.402SS..Hα-helixtrans-61.4-34.4174.600000111.6A404A404-A408 PolarHBondContact O-N 3.4Å
409T68.7Low71.2Confident0 Ų064.4 Ų64.40%037%0.374CS..Hα-helixtrans-70.9-31.9178.2-61.70000113Y58 R65 I68 R69 S405 I406 K407Y58-T409 PolarHBondContact OH-OG1 3.12Å; R65-T409 HydrophobicContact CB-CG2 4.32Å; R65-T409 VanDerWaalsContact O-CG2 3.28Å; R65-T409 WeakPolarHBondContact O-CG2 3.36Å; I68-T409 HydrophobicContact CB-CG2 3.73Å; I68-T409 HydrophobicContact CD1-CG2 4.42Å; I68-T409 HydrophobicContact CG2-CG2 3.63Å; R69-T409 HydrophobicContact CG-CG2 4.14Å; R69-T409 WeakPolarHBondContact CG-O 3.36Å; R69-T409 PolarHBondContact NE-O 3.49Å; R69-T409 PolarHBondContact NH2-O 3.05Å; S405-T409 WeakPolarHBondContact O-CB 3.45Å; S405-T409 PolarHBondContact O-N 3.11Å; S405-T409 PolarHBondContact O-OG1 2.93Å; I406-T409 CarbonylContact O-C 3.49Å; I406-T409 WeakPolarHBondContact O-CA 3.46Å; I406-T409 WeakPolarHBondContact O-CB 3.35Å; I406-T409 PolarHBondContact O-N 3.41Å; I406-T409 VanDerWaalsContact O-N 3.11Å; K407-T409 PolarHBondContact O-N 3.26Å
410I73.4Confident73Confident83 Ų8361.2 Ų61.243%0.42636%0.362SS..Hα-helixtrans-92.1-7-174.2-66.5174.1000113I72 I406 K407 P412I72-I410 HydrophobicContact CD1-CD1 4.11Å; I72-I410 HydrophobicContact CD1-CG1 4.02Å; I406-I410 HydrophobicContact CG2-CD1 3.59Å; I406-I410 HydrophobicContact CG2-CG1 4.35Å; I406-I410 WeakPolarHBondContact O-CG1 3.5Å; I406-I410 PolarHBondContact O-N 3.48Å; K407-I410 PolarHBondContact O-N 3.23Å; I410-P412 WeakPolarHBondContact O-CD 3.38Å
411D76.6Confident74Confident67 Ų6760.1 Ų60.136%0.35835%0.35SS..  trans-60.2119.1-177.5-166.4-12.5000113R69 K407 T413R69-D411 PolarHBondContact NH2-O 3.35Å; K407-D411 PolarHBondContact O-N 2.93Å; D411-T413 VanDerWaalsContact CG-OG1 3.28Å; D411-T413 PolarHBondContact O-N 3.46Å; D411-T413 VanDerWaalsContact OD1-CB 3.3Å; D411-T413 WeakPolarHBondContact OD1-CB 3.17Å; D411-T413 PolarHBondContact OD1-N 2.86Å; D411-T413 PolarHBondContact OD1-OG1 2.74Å; D411-T413 PolarHBondContact OD2-OG1 3.38Å
412P76.9Confident74.4Confident76 Ų7657.6 Ų57.649%0.49433%0.331SS..THydrogen-bonded Turntrans-80.93.8176.935.5-37.4000113.3I410 D414 I415 L416I410-P412 WeakPolarHBondContact O-CD 3.38Å; P412-D414 PolarHBondContact O-N 3.16Å; P412-D414 VanDerWaalsContact O-N 3.16Å; P412-I415 HydrophobicContact CB-CG2 3.99Å; P412-I415 WeakPolarHBondContact O-CG2 3.45Å; P412-I415 PolarHBondContact O-N 3.26Å; P412-L416 PolarHBondContact O-N 3.35Å
413T78.5Confident75.1Confident62 Ų6258.3 Ų58.338%0.3833%0.331SS..Hα-helixtrans-57.2-34.6-177.8-55.30000112D411 I415 L416 V417D411-T413 VanDerWaalsContact CG-OG1 3.28Å; D411-T413 PolarHBondContact O-N 3.46Å; D411-T413 VanDerWaalsContact OD1-CB 3.3Å; D411-T413 WeakPolarHBondContact OD1-CB 3.17Å; D411-T413 PolarHBondContact OD1-N 2.86Å; D411-T413 PolarHBondContact OD1-OG1 2.74Å; D411-T413 PolarHBondContact OD2-OG1 3.38Å; T413-I415 PolarHBondContact O-N 3.26Å; T413-L416 PolarHBondContact O-N 3.5Å; T413-V417 HydrophobicContact CG2-CG2 4.07Å; T413-V417 WeakPolarHBondContact O-CB 3.35Å; T413-V417 VanDerWaalsContact O-CG2 3.27Å; T413-V417 WeakPolarHBondContact O-CG2 3.42Å; T413-V417 PolarHBondContact O-N 3.44Å
414D80Confident75.3Confident16 Ų1658.9 Ų58.99%0.08633%0.325CS..Hα-helixtrans-61.6-44.5179-45.8-52.9000112.9R65 R69 Y111 P412 L416 V417 D418R65-D414 IonicContact CZ-OD2 3.77Å; R65-D414 IonicContact NH2-OD1 2.78Å; R65-D414 PolarHBondContact NH2-OD1 3.38Å; R65-D414 IonicContact NH2-OD2 3.76Å; R65-D414 PolarHBondContact NH2-OD2 3.11Å; R69-D414 IonicContact CZ-OD2 3.98Å; R69-D414 VanDerWaalsContact CZ-OD2 3.24Å; R69-D414 IonicContact NH1-OD2 2.6Å; R69-D414 PolarHBondContact NH1-OD2 3.22Å; R69-D414 IonicContact NH2-OD2 3.66Å; R69-D414 PolarHBondContact NH2-OD2 3.36Å; Y111-D414 HydrophobicContact CE1-CB 4.32Å; Y111-D414 PolarHBondContact OH-O 2.96Å; P412-D414 PolarHBondContact O-N 3.16Å; P412-D414 VanDerWaalsContact O-N 3.16Å; D414-L416 VanDerWaalsContact C-N 3.3Å; D414-L416 PolarHBondContact O-N 3.29Å; D414-V417 PolarHBondContact O-N 2.91Å; D414-D418 WeakPolarHBondContact O-CB 3.31Å; D414-D418 PolarHBondContact O-N 3.26Å
415I80.6Confident74.8Confident25 Ų2560.8 Ų60.813%0.12833%0.333CS..Hα-helixtrans-66.6-36.6-178.8-176.9170.7000110.8Y111 L165 P412 T413 A419Y111-I415 HydrophobicContact CD1-CB 3.8Å; Y111-I415 HydrophobicContact CD1-CD1 4.19Å; Y111-I415 HydrophobicContact CD1-CG1 4.15Å; Y111-I415 HydrophobicContact CD2-CB 4.13Å; Y111-I415 HydrophobicContact CD2-CD1 4.03Å; Y111-I415 HydrophobicContact CD2-CG1 3.74Å; Y111-I415 HydrophobicContact CE1-CB 3.73Å; Y111-I415 HydrophobicContact CE1-CG1 4.41Å; Y111-I415 HydrophobicContact CE2-CB 4.06Å; Y111-I415 HydrophobicContact CE2-CG1 4.02Å; Y111-I415 HydrophobicContact CG-CB 3.99Å; Y111-I415 HydrophobicContact CG-CD1 3.7Å; Y111-I415 HydrophobicContact CG-CG1 3.8Å; L165-I415 HydrophobicContact CD1-CG1 4.19Å; P412-I415 HydrophobicContact CB-CG2 3.99Å; P412-I415 WeakPolarHBondContact O-CG2 3.45Å; P412-I415 PolarHBondContact O-N 3.26Å; T413-I415 PolarHBondContact O-N 3.26Å; I415-A419 VanDerWaalsContact O-CB 3.26Å; I415-A419 WeakPolarHBondContact O-CB 3.49Å; I415-A419 PolarHBondContact O-N 3.49Å
416L80.9Confident74Confident115 Ų11563.5 Ų63.560%0.60235%0.349SS*.Hα-helixtrans-69.5-48177.6-177.666.1000111.4P412 T413 D414 D418 A419 V420P412-L416 PolarHBondContact O-N 3.35Å; T413-L416 PolarHBondContact O-N 3.5Å; D414-L416 VanDerWaalsContact C-N 3.3Å; D414-L416 PolarHBondContact O-N 3.29Å; L416-D418 PolarHBondContact O-N 2.9Å; L416-A419 PolarHBondContact O-N 3.35Å; L416-V420 HydrophobicContact CD1-CG2 4.31Å; L416-V420 HydrophobicContact CG-CG2 4.49Å; L416-V420 WeakPolarHBondContact O-CB 3.46Å; L416-V420 VanDerWaalsContact O-CG2 3.32Å; L416-V420 WeakPolarHBondContact O-CG2 3.45Å; L416-V420 PolarHBondContact O-N 2.89Å
417V81.1Confident73Confident77 Ų7761.8 Ų61.847%0.46734%0.339SS..Hα-helixtrans-57-45177169.80000109.7T413 D414 V420 H421T413-V417 HydrophobicContact CG2-CG2 4.07Å; T413-V417 WeakPolarHBondContact O-CB 3.35Å; T413-V417 VanDerWaalsContact O-CG2 3.27Å; T413-V417 WeakPolarHBondContact O-CG2 3.42Å; T413-V417 PolarHBondContact O-N 3.44Å; D414-V417 PolarHBondContact O-N 2.91Å; V417-V420 PolarHBondContact O-N 3.01Å; V417-H421 WeakPolarHBondContact O-CB 3.25Å; V417-H421 PolarHBondContact O-N 3.38Å
418D78.3Confident71.9Confident9 Ų962.2 Ų62.25%0.04834%0.336CS..Hα-helixtrans-69.2-38.1-178.8-163.434.7000113Y111 K161 D414 L416 N422Y111-D418 HydrophobicContact CE2-CB 4.14Å; Y111-D418 WeakPolarHBondContact CE2-OD2 3.27Å; K161-D418 WeakPolarHBondContact CE-OD1 3.03Å; K161-D418 WeakPolarHBondContact CE-OD2 3.22Å; K161-D418 VanDerWaalsContact NZ-CG 3.34Å; K161-D418 IonicContact NZ-OD1 3.24Å; K161-D418 PolarHBondContact NZ-OD1 3.48Å; K161-D418 IonicContact NZ-OD2 2.94Å; K161-D418 PolarHBondContact NZ-OD2 3.31Å; D414-D418 WeakPolarHBondContact O-CB 3.31Å; D414-D418 PolarHBondContact O-N 3.26Å; L416-D418 PolarHBondContact O-N 2.9Å; D418-N422 WeakPolarHBondContact O-CB 3.47Å; D418-N422 PolarHBondContact O-N 3.33Å; D418-N422 PolarHBondContact O-ND2 3.03Å; D418-N422 PolarHBondContact OD1-ND2 3.16Å
419A80.3Confident71.1Confident7 Ų764.7 Ų64.76%0.05834%0.336CS..Hα-helixtrans-62.8-51.9172.500000111.6L165 L169 I415 L416 H421 N422 F423L165-A419 HydrophobicContact CD2-CB 4.08Å; L165-A419 HydrophobicContact CG-CB 4.44Å; L169-A419 HydrophobicContact CD1-CB 4.27Å; I415-A419 VanDerWaalsContact O-CB 3.26Å; I415-A419 WeakPolarHBondContact O-CB 3.49Å; I415-A419 PolarHBondContact O-N 3.49Å; L416-A419 PolarHBondContact O-N 3.35Å; A419-H421 VanDerWaalsContact C-N 3.29Å; A419-H421 PolarHBondContact O-N 3.35Å; A419-N422 PolarHBondContact O-N 3.21Å; A419-F423 HydrophobicContact CB-CD2 4.33Å; A419-F423 WeakPolarHBondContact O-CB 3.49Å; A419-F423 WeakPolarHBondContact O-CD2 3.37Å; A419-F423 PolarHBondContact O-N 3.32Å
420V79.6Confident70Confident86 Ų8670.9 Ų70.952%0.52136%0.36SS..Hα-helixtrans-56.6-48.9177.3172.60000109.4L416 V417 N422 F423 H424L416-V420 HydrophobicContact CD1-CG2 4.31Å; L416-V420 HydrophobicContact CG-CG2 4.49Å; L416-V420 WeakPolarHBondContact O-CB 3.46Å; L416-V420 VanDerWaalsContact O-CG2 3.32Å; L416-V420 WeakPolarHBondContact O-CG2 3.45Å; L416-V420 PolarHBondContact O-N 2.89Å; V417-V420 PolarHBondContact O-N 3.01Å; V420-N422 PolarHBondContact O-N 3.27Å; V420-F423 PolarHBondContact O-N 2.93Å; V420-H424 WeakPolarHBondContact O-CB 3.42Å; V420-H424 PolarHBondContact O-N 3.16Å
421H74.5Confident68.7Low52 Ų5268.8 Ų68.824%0.24135%0.351CS..Hα-helixtrans-59.5-47.9-179-172.374.8000113.7P374 V417 A419 Y427P374-H421 PolarHBondContact O-CE1 3.19Å; V417-H421 WeakPolarHBondContact O-CB 3.25Å; V417-H421 PolarHBondContact O-N 3.38Å; A419-H421 VanDerWaalsContact C-N 3.29Å; A419-H421 PolarHBondContact O-N 3.35Å; H421-Y427 AromaticContact CE1-CD2 3.81Å; H421-Y427 AromaticContact CE1-CE2 3.06Å; H421-Y427 WeakPolarHBondContact CE1-CE2 3.25Å; H421-Y427 AromaticContact CE1-CZ 3.68Å; H421-Y427 AromaticContact ND1-CE2 3.79Å; H421-Y427 AromaticContact NE2-CE2 3.38Å; H421-Y427 WeakPolarHBondContact NE2-CE2 3.27Å; H421-Y427 AromaticContact NE2-CZ 3.56Å
422N74.8Confident67.1Low13 Ų1370.5 Ų70.57%0.0736%0.357CS..Hα-helixtrans-73.7-32.1-177.1-80.5-80.5000113.5R158 K161 I162 L165 D418 A419 V420R158-N422 PolarHBondContact NH2-O 3.21Å; K161-N422 WeakPolarHBondContact CE-ND2 3.36Å; I162-N422 HydrophobicContact CG1-CB 4.05Å; L165-N422 HydrophobicContact CD2-CB 4.24Å; D418-N422 WeakPolarHBondContact O-CB 3.47Å; D418-N422 PolarHBondContact O-N 3.33Å; D418-N422 PolarHBondContact O-ND2 3.03Å; D418-N422 PolarHBondContact OD1-ND2 3.16Å; A419-N422 PolarHBondContact O-N 3.21Å; V420-N422 PolarHBondContact O-N 3.27Å
423F78.7Confident65.7Low98 Ų9870.6 Ų70.643%0.4336%0.356SS..Hα-helixtrans-89.8-12.4179.2-68-65.9000113.5I162 L165 L169 A419 V420I162-F423 HydrophobicContact CG2-CE1 3.89Å; I162-F423 HydrophobicContact CG2-CZ 4.24Å; L165-F423 HydrophobicContact CD2-CE2 3.95Å; L165-F423 HydrophobicContact CG-CE2 4.15Å; L169-F423 HydrophobicContact CD1-CD2 4.12Å; L169-F423 HydrophobicContact CD1-CE2 3.6Å; L169-F423 HydrophobicContact CD1-CZ 4.39Å; A419-F423 HydrophobicContact CB-CD2 4.33Å; A419-F423 WeakPolarHBondContact O-CB 3.49Å; A419-F423 WeakPolarHBondContact O-CD2 3.37Å; A419-F423 PolarHBondContact O-N 3.32Å; V420-F423 PolarHBondContact O-N 2.93Å
424H73.5Confident64.1Low93 Ų9371.7 Ų71.743%0.43136%0.357SS..  trans-69.2134.1-179.6-159.2-97.2000112.4V420 T426 Y427V420-H424 WeakPolarHBondContact O-CB 3.42Å; V420-H424 PolarHBondContact O-N 3.16Å; H424-T426 PolarHBondContact CE1-OG1 3.41Å; H424-T426 WeakPolarHBondContact ND1-CB 2.93Å; H424-T426 PolarHBondContact ND1-N 3.04Å; H424-T426 PolarHBondContact ND1-OG1 3.24Å; H424-T426 PolarHBondContact O-N 3.42Å; H424-Y427 PolarHBondContact O-N 3.13Å
425P57.1Low62.5Low89 Ų8977.1 Ų77.158%0.57838%0.384SS*.THydrogen-bonded Turntrans-66.5-30.6-176.724.2-33.9000114.1Y427 R428P425-Y427 PolarHBondContact O-N 3.42Å; P425-R428 WeakPolarHBondContact O-CB 3.36Å; P425-R428 PolarHBondContact O-N 3.13Å
426T53.7Low60.8Low67 Ų6781.6 Ų81.641%0.41141%0.408SS..THydrogen-bonded Turntrans-58.8-21.1-177.4-50.60000113.4H424 R428 H429H424-T426 PolarHBondContact CE1-OG1 3.41Å; H424-T426 WeakPolarHBondContact ND1-CB 2.93Å; H424-T426 PolarHBondContact ND1-N 3.04Å; H424-T426 PolarHBondContact ND1-OG1 3.24Å; H424-T426 PolarHBondContact O-N 3.42Å; T426-R428 PolarHBondContact O-N 3.19Å; T426-H429 PolarHBondContact O-N 3.42Å
427Y48.8Very low59.1Low27 Ų2783.1 Ų83.111%0.10641%0.412CS..Hα-helixtrans-66.3-21.8176.1-129.5-92.9000114.2P374 W375 H421 H424 P425 H429 Y430 T431P374-Y427 PolarHBondContact O-OH 3.46Å; W375-Y427 WeakPolarHBondContact CA-OH 3.44Å; W375-Y427 HydrophobicContact CB-CE1 4.44Å; W375-Y427 WeakPolarHBondContact CB-OH 3.49Å; W375-Y427 PolarHBondContact N-OH 2.84Å; W375-Y427 VanDerWaalsContact N-OH 3.11Å; H421-Y427 AromaticContact CE1-CD2 3.81Å; H421-Y427 AromaticContact CE1-CE2 3.06Å; H421-Y427 WeakPolarHBondContact CE1-CE2 3.25Å; H421-Y427 AromaticContact CE1-CZ 3.68Å; H421-Y427 AromaticContact ND1-CE2 3.79Å; H421-Y427 AromaticContact NE2-CE2 3.38Å; H421-Y427 WeakPolarHBondContact NE2-CE2 3.27Å; H421-Y427 AromaticContact NE2-CZ 3.56Å; H424-Y427 PolarHBondContact O-N 3.13Å; P425-Y427 PolarHBondContact O-N 3.42Å; Y427-H429 PolarHBondContact O-N 2.82Å; Y427-Y430 PolarHBondContact O-N 2.92Å; Y427-T431 PolarHBondContact O-N 3.35Å; Y427-T431 PolarHBondContact O-OG1 3.5Å
428R49.3Very low57.2Low178 Ų17886.5 Ų86.567%0.67243%0.427SS*.Hα-helixtrans-61.1-31176-71.2-174.9178.21800.3111.9P425 T426 T431 Q432P425-R428 WeakPolarHBondContact O-CB 3.36Å; P425-R428 PolarHBondContact O-N 3.13Å; T426-R428 PolarHBondContact O-N 3.19Å; R428-T431 WeakPolarHBondContact CA-OG1 3.37Å; R428-T431 PolarHBondContact O-OG1 3.08Å; R428-Q432 WeakPolarHBondContact O-CG 3.38Å; R428-Q432 PolarHBondContact O-N 3Å; R428-Q432 VanDerWaalsContact O-N 3.07Å
429H47.2Very low55.3Low118 Ų11892.7 Ų92.755%0.54647%0.471SS..Hα-helixtrans-67.4-44.5-178.7-67.5-64.9000112.1T426 Y427 T431 Q432 T433T426-H429 PolarHBondContact O-N 3.42Å; Y427-H429 PolarHBondContact O-N 2.82Å; H429-T431 VanDerWaalsContact C-N 3.35Å; H429-T431 PolarHBondContact O-N 3.02Å; H429-Q432 PolarHBondContact O-N 2.88Å; H429-T433 PolarHBondContact O-N 3.35Å; H429-T433 PolarHBondContact O-OG1 3.4Å
430Y45.6Very low54.1Low131 Ų13197 Ų9751%0.51449%0.492SS..Hα-helixtrans-66.9-34.9178.6-62.7-72.4000113Y427 Q434Y427-Y430 PolarHBondContact O-N 2.92Å; Y430-Q434 PolarHBondContact O-N 2.97Å
431T46.8Very low52.7Low39 Ų3997.6 Ų97.624%0.23949%0.491CS..Hα-helixtrans-72.1-31.7176.649.30000113.2Y427 R428 H429 M435Y427-T431 PolarHBondContact O-N 3.35Å; Y427-T431 PolarHBondContact O-OG1 3.5Å; R428-T431 WeakPolarHBondContact CA-OG1 3.37Å; R428-T431 PolarHBondContact O-OG1 3.08Å; H429-T431 VanDerWaalsContact C-N 3.35Å; H429-T431 PolarHBondContact O-N 3.02Å; T431-M435 WeakPolarHBondContact O-CG 3.47Å; T431-M435 PolarHBondContact O-N 3.49Å; T431-M435 VanDerWaalsContact O-N 3.16Å
432Q43.4Very low51.5Low103 Ų103100.1 Ų100.148%0.48150%0.504SS..Hα-helixtrans-68.4-40.9174.8-79.4172.2-22.600110.6R428 H429 Q434 M435 D436R428-Q432 WeakPolarHBondContact O-CG 3.38Å; R428-Q432 PolarHBondContact O-N 3Å; R428-Q432 VanDerWaalsContact O-N 3.07Å; H429-Q432 PolarHBondContact O-N 2.88Å; Q432-Q434 VanDerWaalsContact C-N 3.32Å; Q432-Q434 PolarHBondContact O-N 3.11Å; Q432-M435 PolarHBondContact O-N 3.23Å; Q432-M435 VanDerWaalsContact O-N 3.09Å; Q432-D436 VanDerWaalsContact O-CG 3.28Å; Q432-D436 PolarHBondContact O-N 3.13Å
433T46.3Very low50.2Low77 Ų77105.2 Ų105.247%0.47253%0.53SS..Hα-helixtrans-59.7-39.4178-32.50000112.8H429 D436 E437H429-T433 PolarHBondContact O-N 3.35Å; H429-T433 PolarHBondContact O-OG1 3.4Å; T433-D436 PolarHBondContact O-N 3.01Å; T433-E437 WeakPolarHBondContact O-CG 3.43Å; T433-E437 PolarHBondContact O-N 3.27Å; T433-E437 VanDerWaalsContact O-N 3.12Å
434Q46.5Very low48.4Very low85 Ų85105.7 Ų105.740%0.39754%0.536SS..Hα-helixtrans-71.7-36.3173.8-94.2-169.2-24.600113.3Y430 Q432 D436 E437 D438Y430-Q434 PolarHBondContact O-N 2.97Å; Q432-Q434 VanDerWaalsContact C-N 3.32Å; Q432-Q434 PolarHBondContact O-N 3.11Å; Q434-D436 VanDerWaalsContact C-N 3.26Å; Q434-D436 PolarHBondContact O-N 3.2Å; Q434-E437 PolarHBondContact O-N 3.27Å; Q434-D438 WeakPolarHBondContact O-CB 3.48Å; Q434-D438 PolarHBondContact O-N 3.09Å
435M45Very low46.7Very low131 Ų131106.5 Ų106.565%0.64554%0.543SS*.Hα-helixtrans-64.8-34.1174.6-73.8-174.769.400112.1T431 Q432 E437 S439T431-M435 WeakPolarHBondContact O-CG 3.47Å; T431-M435 PolarHBondContact O-N 3.49Å; T431-M435 VanDerWaalsContact O-N 3.16Å; Q432-M435 PolarHBondContact O-N 3.23Å; Q432-M435 VanDerWaalsContact O-N 3.09Å; M435-E437 VanDerWaalsContact C-N 3.32Å; M435-S439 WeakPolarHBondContact O-CB 3.46Å; M435-S439 PolarHBondContact O-N 3.16Å; M435-S439 PolarHBondContact O-OG 3.37Å
436D45.5Very low46Very low118 Ų118107.8 Ų107.863%0.63154%0.541SS*.Hα-helixtrans-74.5-22.5175.1-65.6-23.7000112.1Q432 T433 Q434 S439Q432-D436 VanDerWaalsContact O-CG 3.28Å; Q432-D436 PolarHBondContact O-N 3.13Å; T433-D436 PolarHBondContact O-N 3.01Å; Q434-D436 VanDerWaalsContact C-N 3.26Å; Q434-D436 PolarHBondContact O-N 3.2Å; D436-S439 PolarHBondContact O-OG 2.95Å
437E44.8Very low45.4Very low147 Ų147110.9 Ų110.969%0.68755%0.551SS**Hα-helixtrans-82.8-31.2172.2-77.5177.6174.700113T433 Q434 M435T433-E437 WeakPolarHBondContact O-CG 3.43Å; T433-E437 PolarHBondContact O-N 3.27Å; T433-E437 VanDerWaalsContact O-N 3.12Å; Q434-E437 PolarHBondContact O-N 3.27Å; M435-E437 VanDerWaalsContact C-N 3.32Å
438D41.1Very low45.1Very low148 Ų148117.9 Ų117.979%0.79159%0.588SS**Hα-helixtrans-86.4-10.7179-78.8-18.2000113.9Q434Q434-D438 WeakPolarHBondContact O-CB 3.48Å; Q434-D438 PolarHBondContact O-N 3.09Å
439S39.7Very low44.7Very low140 Ų140112.5 Ų112.598%0.97958%0.58SS**  trans-96.60176.1700000112.5M435 D436M435-S439 WeakPolarHBondContact O-CB 3.46Å; M435-S439 PolarHBondContact O-N 3.16Å; M435-S439 PolarHBondContact O-OG 3.37Å; D436-S439 PolarHBondContact O-OG 2.95Å

Retrieved 439 of 439 residues in 394.8 ms (Link to these results)

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