A0A3Q0KUH7_SCHMA Loading...

Putative poly(P)/ATP NAD kinase

AlphaFold DB , UniProt , Accession A0A3Q0KUH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 736 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
1M50.6Low64.3Low202 Ų202118.8 Ų118.8100%0.99563%0.628SS**  03.40-116.9162.211000112.4T4M1-T4 PolarHBondContact O-OG1 2.9Å
2D61Low65.1Low141 Ų141118.1 Ų118.175%0.75462%0.618SS**Hα-helixtrans-78.1-40.8-173.4-87.4-30.5000115.8T4 D5 E6D2-T4 PolarHBondContact O-N 3.26Å; D2-D5 PolarHBondContact O-N 3.03Å; D2-E6 PolarHBondContact O-N 3.05Å
3Q56.9Low66Low167 Ų167118.2 Ų118.278%0.7861%0.614SS**Hα-helixtrans-73.7-26.8-167.5-157.4165.8700113.7L7Q3-L7 WeakPolarHBondContact O-CB 3.43Å; Q3-L7 PolarHBondContact O-N 3Å
4T62.3Low66.9Low90 Ų90112.6 Ų112.655%0.55259%0.593SS**Hα-helixtrans-73.7-36.2174.338.70000112.2M1 D2 V8M1-T4 PolarHBondContact O-OG1 2.9Å; D2-T4 PolarHBondContact O-N 3.26Å; T4-V8 WeakPolarHBondContact O-CB 3.26Å; T4-V8 WeakPolarHBondContact O-CG2 3.34Å; T4-V8 PolarHBondContact O-N 3.25Å
5D64.1Low67.4Low89 Ų89114 Ų11448%0.47659%0.592SS.*Hα-helixtrans-73.2-37.2-178.8-74.6-0.3000111.2D2 V8 L9D2-D5 PolarHBondContact O-N 3.03Å; D5-V8 PolarHBondContact O-N 3.38Å; D5-L9 WeakPolarHBondContact O-CB 3.43Å; D5-L9 PolarHBondContact O-N 3.49Å
6E66.1Low67.7Low124 Ų124110.8 Ų110.858%0.57957%0.574SS**Hα-helixtrans-67.2-41.6174.7-162177.1-172.100111.8D2 V8 L9 I10D2-E6 PolarHBondContact O-N 3.05Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 3.43Å; E6-L9 PolarHBondContact O-N 3.43Å; E6-I10 HydrophobicContact CG-CD1 4.2Å; E6-I10 VanDerWaalsContact O-CG1 3.28Å; E6-I10 WeakPolarHBondContact O-CG1 3.22Å; E6-I10 PolarHBondContact O-N 3.38Å
7L67.9Low68.4Low128 Ų128111.8 Ų111.867%0.6757%0.573SS**Hα-helixtrans-65-38175.2-15794000111.9Q3 S11Q3-L7 WeakPolarHBondContact O-CB 3.43Å; Q3-L7 PolarHBondContact O-N 3Å; L7-S11 VanDerWaalsContact O-CB 3.29Å; L7-S11 WeakPolarHBondContact O-CB 3.39Å; L7-S11 PolarHBondContact O-N 3.38Å; L7-S11 PolarHBondContact O-OG 2.98Å
8V68.7Low68.9Low92 Ų92113 Ų11356%0.55857%0.57SS**Hα-helixtrans-67.1-40.9175.7169.50000110.7T4 D5 E6 S11 H12T4-V8 WeakPolarHBondContact O-CB 3.26Å; T4-V8 WeakPolarHBondContact O-CG2 3.34Å; T4-V8 PolarHBondContact O-N 3.25Å; D5-V8 PolarHBondContact O-N 3.38Å; E6-V8 VanDerWaalsContact C-N 3.34Å; E6-V8 PolarHBondContact O-N 3.43Å; V8-S11 WeakPolarHBondContact CA-OG 3.46Å; V8-S11 PolarHBondContact O-N 3.18Å; V8-S11 PolarHBondContact O-OG 3.41Å; V8-H12 PolarHBondContact O-N 2.96Å
9L65.5Low69.1Low108 Ų108110.9 Ų110.957%0.56556%0.561SS**Hα-helixtrans-64.3-47.7176.7-162.581.3000111.8D5 E6 S11 H12 E13D5-L9 WeakPolarHBondContact O-CB 3.43Å; D5-L9 PolarHBondContact O-N 3.49Å; E6-L9 PolarHBondContact O-N 3.43Å; L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 3.08Å; L9-H12 WeakPolarHBondContact O-CB 3.33Å; L9-H12 PolarHBondContact O-N 2.86Å; L9-H12 VanDerWaalsContact O-N 3.1Å; L9-E13 PolarHBondContact O-N 3.26Å
10I69.3Low69.3Low98 Ų98108.1 Ų108.150%0.50355%0.545SS..Hα-helixtrans-61-38.8176-66.7165.9000110.6E6 H12 A14E6-I10 HydrophobicContact CG-CD1 4.2Å; E6-I10 VanDerWaalsContact O-CG1 3.28Å; E6-I10 WeakPolarHBondContact O-CG1 3.22Å; E6-I10 PolarHBondContact O-N 3.38Å; I10-H12 VanDerWaalsContact C-N 3.31Å; I10-H12 PolarHBondContact O-N 3.39Å; I10-A14 VanDerWaalsContact O-CB 3.28Å; I10-A14 WeakPolarHBondContact O-CB 3.12Å; I10-A14 PolarHBondContact O-N 3.05Å
11S75.3Confident69.8Low68 Ų68106 Ų10648%0.47654%0.535SS..Hα-helixtrans-66.5-32.6176.878.60000112.9L7 V8 L9 K15L7-S11 VanDerWaalsContact O-CB 3.29Å; L7-S11 WeakPolarHBondContact O-CB 3.39Å; L7-S11 PolarHBondContact O-N 3.38Å; L7-S11 PolarHBondContact O-OG 2.98Å; V8-S11 WeakPolarHBondContact CA-OG 3.46Å; V8-S11 PolarHBondContact O-N 3.18Å; V8-S11 PolarHBondContact O-OG 3.41Å; L9-S11 VanDerWaalsContact C-N 3.27Å; L9-S11 PolarHBondContact O-N 3.08Å; S11-K15 WeakPolarHBondContact O-CB 3.37Å; S11-K15 PolarHBondContact O-N 2.91Å; S11-K15 VanDerWaalsContact O-N 3.08Å
12H73.7Confident71.2Confident110 Ų11098.6 Ų98.651%0.50950%0.496SS..Hα-helixtrans-71.1-47.9177.3-168-85.3000111.1V8 L9 I10 A14 K15 E16V8-H12 PolarHBondContact O-N 2.96Å; L9-H12 WeakPolarHBondContact O-CB 3.33Å; L9-H12 PolarHBondContact O-N 2.86Å; L9-H12 VanDerWaalsContact O-N 3.1Å; I10-H12 VanDerWaalsContact C-N 3.31Å; I10-H12 PolarHBondContact O-N 3.39Å; H12-A14 VanDerWaalsContact C-N 3.35Å; H12-A14 PolarHBondContact O-N 3.01Å; H12-K15 PolarHBondContact O-N 3.48Å; H12-E16 IonicContact CE1-OE1 2.93Å; H12-E16 PolarHBondContact CE1-OE1 2.86Å; H12-E16 IonicContact ND1-OE1 3.48Å; H12-E16 PolarHBondContact ND1-OE1 3.04Å; H12-E16 PolarHBondContact O-N 2.96Å
13E76.1Confident72Confident120 Ų12092.7 Ų92.756%0.56147%0.469SS*.Hα-helixtrans-62.9-40.4176.7-68.2-176.2173.300112L9 K15 E16 F17L9-E13 PolarHBondContact O-N 3.26Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 3.37Å; E13-E16 PolarHBondContact O-N 2.74Å; E13-F17 WeakPolarHBondContact O-CB 3.46Å; E13-F17 PolarHBondContact O-N 3.42Å
14A78.5Confident73.1Confident39 Ų3988.9 Ų88.932%0.32245%0.453SS..Hα-helixtrans-63-41.4175.300000111.7I10 H12 F17 Y18I10-A14 VanDerWaalsContact O-CB 3.28Å; I10-A14 WeakPolarHBondContact O-CB 3.12Å; I10-A14 PolarHBondContact O-N 3.05Å; H12-A14 VanDerWaalsContact C-N 3.35Å; H12-A14 PolarHBondContact O-N 3.01Å; A14-F17 PolarHBondContact O-N 3.34Å; A14-Y18 HydrophobicContact CB-CE2 4.31Å; A14-Y18 WeakPolarHBondContact O-CD2 3.37Å; A14-Y18 PolarHBondContact O-N 3.01Å
15K74.8Confident74.2Confident134 Ų13487.7 Ų87.758%0.58345%0.446SS*.Hα-helixtrans-62.1-45.9177.5-173.6-180175.7-173.20111.4S11 H12 E13 F17 Y18 D19S11-K15 WeakPolarHBondContact O-CB 3.37Å; S11-K15 PolarHBondContact O-N 2.91Å; S11-K15 VanDerWaalsContact O-N 3.08Å; H12-K15 PolarHBondContact O-N 3.48Å; E13-K15 VanDerWaalsContact C-N 3.35Å; E13-K15 PolarHBondContact O-N 3.37Å; K15-F17 PolarHBondContact O-N 2.78Å; K15-Y18 PolarHBondContact O-N 3.16Å; K15-D19 WeakPolarHBondContact O-CB 3.26Å; K15-D19 PolarHBondContact O-N 3.4Å
16E72.4Confident75.2Confident63 Ų6385.3 Ų85.329%0.29443%0.434SS..Hα-helixtrans-59.1-46.3175-70.4-177.6-176.100111.9H12 E13 Y18 D19 E20H12-E16 IonicContact CE1-OE1 2.93Å; H12-E16 PolarHBondContact CE1-OE1 2.86Å; H12-E16 IonicContact ND1-OE1 3.48Å; H12-E16 PolarHBondContact ND1-OE1 3.04Å; H12-E16 PolarHBondContact O-N 2.96Å; E13-E16 PolarHBondContact O-N 2.74Å; E16-Y18 PolarHBondContact O-N 3.33Å; E16-D19 PolarHBondContact O-N 3.29Å; E16-E20 WeakPolarHBondContact O-CG 3.32Å; E16-E20 PolarHBondContact O-N 2.73Å
17F78.9Confident76Confident128 Ų12880.4 Ų80.456%0.56141%0.413SS*.Hα-helixtrans-59.9-44.1177.9176.6-106.2000112.5E13 A14 K15 I21E13-F17 WeakPolarHBondContact O-CB 3.46Å; E13-F17 PolarHBondContact O-N 3.42Å; A14-F17 PolarHBondContact O-N 3.34Å; K15-F17 PolarHBondContact O-N 2.78Å; F17-I21 HydrophobicContact CD1-CD1 3.69Å; F17-I21 HydrophobicContact CD2-CD1 4.22Å; F17-I21 HydrophobicContact CE1-CD1 3.17Å; F17-I21 HydrophobicContact CE1-CG1 4.43Å; F17-I21 HydrophobicContact CE2-CD1 3.76Å; F17-I21 HydrophobicContact CE2-CG1 4.4Å; F17-I21 HydrophobicContact CG-CD1 4.2Å; F17-I21 HydrophobicContact CZ-CD1 3.24Å; F17-I21 HydrophobicContact CZ-CG1 4.31Å; F17-I21 WeakPolarHBondContact O-CG1 3.49Å; F17-I21 PolarHBondContact O-N 3.18Å
18Y78.6Confident77Confident133 Ų13381 Ų8152%0.52241%0.41SS..Hα-helixtrans-68-37.4176.5-72.2-60.7000112.3A14 K15 E16 E20 I21 R22A14-Y18 HydrophobicContact CB-CE2 4.31Å; A14-Y18 WeakPolarHBondContact O-CD2 3.37Å; A14-Y18 PolarHBondContact O-N 3.01Å; K15-Y18 PolarHBondContact O-N 3.16Å; E16-Y18 PolarHBondContact O-N 3.33Å; Y18-E20 VanDerWaalsContact C-N 3.35Å; Y18-I21 PolarHBondContact O-N 3.18Å; Y18-R22 WeakPolarHBondContact O-CB 3.11Å; Y18-R22 WeakPolarHBondContact O-CD 3.48Å; Y18-R22 WeakPolarHBondContact O-CG 3.43Å; Y18-R22 PolarHBondContact O-N 3.31Å
19D72.7Confident78Confident73 Ų7381.1 Ų81.139%0.3941%0.407SS..Hα-helixtrans-64.9-39.8178.3-69.5-15.9000111.1K15 E16 R22 G23K15-D19 WeakPolarHBondContact O-CB 3.26Å; K15-D19 PolarHBondContact O-N 3.4Å; E16-D19 PolarHBondContact O-N 3.29Å; D19-R22 PolarHBondContact O-N 3.37Å; D19-R22 IonicContact OD1-CZ 3.25Å; D19-R22 IonicContact OD1-NH1 3.98Å; D19-R22 PolarHBondContact OD1-NH1 2.93Å; D19-R22 IonicContact OD1-NH2 3.03Å; D19-G23 PolarHBondContact O-N 3.49Å; D19-G23 VanDerWaalsContact O-N 3.15Å
20E71.9Confident79.1Confident54 Ų5478 Ų7825%0.25239%0.391SS..Hα-helixtrans-64.5-48.5172.8-74.9-74.9176.400112.9E16 Y18 R22 G23 L24 S589 W590E16-E20 WeakPolarHBondContact O-CG 3.32Å; E16-E20 PolarHBondContact O-N 2.73Å; Y18-E20 VanDerWaalsContact C-N 3.35Å; E20-R22 VanDerWaalsContact C-N 3.26Å; E20-R22 PolarHBondContact O-N 3.23Å; E20-G23 PolarHBondContact O-N 3.36Å; E20-L24 PolarHBondContact O-N 3.36Å; E20-S589 VanDerWaalsContact OE1-CA 3.25Å; E20-S589 WeakPolarHBondContact OE1-CA 3.27Å; E20-W590 PolarHBondContact OE1-N 2.95Å
21I81.1Confident80.1Confident66 Ų6675.8 Ų75.834%0.33838%0.377SS..Hα-helixtrans-59-41.7177.3-73.5171.6000110.7F17 Y18 G23 L24 V25F17-I21 HydrophobicContact CD1-CD1 3.69Å; F17-I21 HydrophobicContact CD2-CD1 4.22Å; F17-I21 HydrophobicContact CE1-CD1 3.17Å; F17-I21 HydrophobicContact CE1-CG1 4.43Å; F17-I21 HydrophobicContact CE2-CD1 3.76Å; F17-I21 HydrophobicContact CE2-CG1 4.4Å; F17-I21 HydrophobicContact CG-CD1 4.2Å; F17-I21 HydrophobicContact CZ-CD1 3.24Å; F17-I21 HydrophobicContact CZ-CG1 4.31Å; F17-I21 WeakPolarHBondContact O-CG1 3.49Å; F17-I21 PolarHBondContact O-N 3.18Å; Y18-I21 PolarHBondContact O-N 3.18Å; I21-G23 VanDerWaalsContact C-N 3.35Å; I21-G23 PolarHBondContact O-N 3.36Å; I21-L24 PolarHBondContact O-N 2.89Å; I21-V25 HydrophobicContact CG2-CG2 4.19Å; I21-V25 VanDerWaalsContact O-CG2 3.27Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.49Å
22R79.1Confident80.9Confident46 Ų4675.5 Ų75.517%0.17437%0.373CS..Hα-helixtrans-60-46.1178.6-73.1166.4-168.615825111.2Y18 D19 E20 L24 V25 V26 Y101 W105Y18-R22 WeakPolarHBondContact O-CB 3.11Å; Y18-R22 WeakPolarHBondContact O-CD 3.48Å; Y18-R22 WeakPolarHBondContact O-CG 3.43Å; Y18-R22 PolarHBondContact O-N 3.31Å; D19-R22 PolarHBondContact O-N 3.37Å; D19-R22 IonicContact OD1-CZ 3.25Å; D19-R22 IonicContact OD1-NH1 3.98Å; D19-R22 PolarHBondContact OD1-NH1 2.93Å; D19-R22 IonicContact OD1-NH2 3.03Å; E20-R22 VanDerWaalsContact C-N 3.26Å; E20-R22 PolarHBondContact O-N 3.23Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 2.97Å; R22-V25 PolarHBondContact O-N 2.97Å; R22-V26 WeakPolarHBondContact O-CG2 3.19Å; R22-V26 PolarHBondContact O-N 2.92Å; R22-V26 VanDerWaalsContact O-N 3.12Å; R22-Y101 PolarHBondContact NH1-OH 3.29Å; R22-Y101 VanDerWaalsContact NH1-OH 3.16Å; R22-Y101 PolarHBondContact NH2-OH 3.48Å; R22-W105 HydrophobicContact CB-CD2 3.94Å; R22-W105 HydrophobicContact CB-CE3 3.73Å; R22-W105 HydrophobicContact CB-CH2 4.37Å; R22-W105 HydrophobicContact CB-CZ3 3.96Å; R22-W105 VanDerWaalsContact CD-CE2 3.41Å; R22-W105 HydrophobicContact CG-CD2 3.89Å; R22-W105 HydrophobicContact CG-CE3 3.85Å; R22-W105 HydrophobicContact CG-CH2 3.62Å; R22-W105 HydrophobicContact CG-CZ2 3.65Å; R22-W105 HydrophobicContact CG-CZ3 3.72Å
23G77.6Confident81.8Confident17 Ų1775.2 Ų75.218%0.17537%0.374CS..Hα-helixtrans-58.9-45.6175.900000112.2D19 E20 I21 V25 V26 V27D19-G23 PolarHBondContact O-N 3.49Å; D19-G23 VanDerWaalsContact O-N 3.15Å; E20-G23 PolarHBondContact O-N 3.36Å; I21-G23 VanDerWaalsContact C-N 3.35Å; I21-G23 PolarHBondContact O-N 3.36Å; G23-V25 VanDerWaalsContact C-N 3.35Å; G23-V25 PolarHBondContact O-N 3.37Å; G23-V26 PolarHBondContact O-N 2.69Å; G23-V27 WeakPolarHBondContact O-CG2 3.45Å; G23-V27 PolarHBondContact O-N 3.37Å
24L80.2Confident82.6Confident87 Ų8770.4 Ų70.446%0.45535%0.352SS..Hα-helixtrans-60.5-41.9177.4-172.371.2000112.5E20 I21 R22 V27 F28 W591E20-L24 PolarHBondContact O-N 3.36Å; I21-L24 PolarHBondContact O-N 2.89Å; R22-L24 VanDerWaalsContact C-N 3.34Å; R22-L24 PolarHBondContact O-N 2.97Å; L24-V27 PolarHBondContact O-N 3.08Å; L24-F28 WeakPolarHBondContact O-CB 3.25Å; L24-F28 PolarHBondContact O-N 3.16Å; L24-W591 HydrophobicContact CD1-CZ2 3.97Å
25V85.9Confident83.4Confident65 Ų6572.3 Ų72.339%0.39435%0.354SS..Hα-helixtrans-62.1-44.8177.9170.80000111I21 R22 G23 F28 L29I21-V25 HydrophobicContact CG2-CG2 4.19Å; I21-V25 VanDerWaalsContact O-CG2 3.27Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 3.49Å; R22-V25 PolarHBondContact O-N 2.97Å; G23-V25 VanDerWaalsContact C-N 3.35Å; G23-V25 PolarHBondContact O-N 3.37Å; V25-F28 PolarHBondContact O-N 3.01Å; V25-L29 HydrophobicContact CG1-CD1 3.99Å; V25-L29 HydrophobicContact CG1-CG 4.43Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 3.49Å
26V84.5Confident84.3Confident38 Ų3872.2 Ų72.223%0.2335%0.353CS..Hα-helixtrans-63.6-46.4179.1176.40000111R22 G23 F28 L29 L30 W105 L110R22-V26 WeakPolarHBondContact O-CG2 3.19Å; R22-V26 PolarHBondContact O-N 2.92Å; R22-V26 VanDerWaalsContact O-N 3.12Å; G23-V26 PolarHBondContact O-N 2.69Å; V26-F28 PolarHBondContact O-N 3.03Å; V26-L29 PolarHBondContact O-N 3.33Å; V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 PolarHBondContact O-N 2.98Å; V26-W105 HydrophobicContact CG2-CE3 4.27Å; V26-L110 HydrophobicContact CB-CD2 4.41Å; V26-L110 HydrophobicContact CG1-CD2 4.05Å
27V83.9Confident85.4Confident22 Ų2273 Ų7313%0.13336%0.358CS..Hα-helixtrans-62.9-42.8177.7174.60000111.3G23 L24 L30 F31 L110 L117G23-V27 WeakPolarHBondContact O-CG2 3.45Å; G23-V27 PolarHBondContact O-N 3.37Å; L24-V27 PolarHBondContact O-N 3.08Å; V27-L30 PolarHBondContact O-N 3.26Å; V27-F31 WeakPolarHBondContact O-CB 3.28Å; V27-F31 PolarHBondContact O-N 3.41Å; V27-L110 HydrophobicContact CG2-CD1 3.76Å; V27-L117 HydrophobicContact CG1-CD2 3.49Å; V27-L117 VanDerWaalsContact CG1-CD2 3.49Å
28F87.9Confident86.1Confident140 Ų14066.9 Ų66.961%0.61433%0.332SS*.Hα-helixtrans-62.6-44.3177.9177.4-97.3000112.3L24 V25 V26 F31 T32L24-F28 WeakPolarHBondContact O-CB 3.25Å; L24-F28 PolarHBondContact O-N 3.16Å; V25-F28 PolarHBondContact O-N 3.01Å; V26-F28 PolarHBondContact O-N 3.03Å; F28-F31 PolarHBondContact O-N 3.04Å; F28-T32 VanDerWaalsContact O-CB 3.31Å; F28-T32 WeakPolarHBondContact O-CB 3.38Å; F28-T32 PolarHBondContact O-N 3.15Å; F28-T32 PolarHBondContact O-OG1 2.95Å
29L90.2Very high86.7Confident95 Ų9563.2 Ų63.250%0.49732%0.319SS..Hα-helixtrans-64.6-45.6177-72.9174.8000111.6V25 V26 F31 T32 I33V25-L29 HydrophobicContact CG1-CD1 3.99Å; V25-L29 HydrophobicContact CG1-CG 4.43Å; V25-L29 WeakPolarHBondContact O-CB 3.49Å; V25-L29 VanDerWaalsContact O-CG 3.3Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 3.49Å; V26-L29 PolarHBondContact O-N 3.33Å; L29-F31 PolarHBondContact O-N 3.22Å; L29-T32 PolarHBondContact O-N 3.15Å; L29-I33 WeakPolarHBondContact O-CG1 3.03Å; L29-I33 PolarHBondContact O-N 3.41Å
30L88Confident87.6Confident43 Ų4363.6 Ų63.623%0.22532%0.32CS..Hα-helixtrans-56.7-50.2176177.865.8000110.8V26 V27 T32 I33 L34 L114V26-L30 WeakPolarHBondContact O-CB 3.48Å; V26-L30 PolarHBondContact O-N 2.98Å; V27-L30 PolarHBondContact O-N 3.26Å; L30-T32 PolarHBondContact O-N 3.48Å; L30-I33 PolarHBondContact O-N 3.42Å; L30-L34 HydrophobicContact CD1-CD1 4.01Å; L30-L34 HydrophobicContact CD1-CG 4.38Å; L30-L34 HydrophobicContact CG-CD1 4.07Å; L30-L34 WeakPolarHBondContact O-CB 3.4Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 3.26Å; L30-L114 HydrophobicContact CD2-CD1 4.15Å; L30-L114 HydrophobicContact CD2-CD2 4.07Å
31F89.8Confident88.5Confident50 Ų5063.5 Ų63.522%0.21932%0.323CS..Hα-helixtrans-65.5-37.8-179.4-165.2-95.5000112.1V27 F28 L29 L34 F35 F72 T75 I76V27-F31 WeakPolarHBondContact O-CB 3.28Å; V27-F31 PolarHBondContact O-N 3.41Å; F28-F31 PolarHBondContact O-N 3.04Å; L29-F31 PolarHBondContact O-N 3.22Å; F31-L34 PolarHBondContact O-N 3.01Å; F31-F35 HydrophobicContact CE1-CD2 4.3Å; F31-F35 WeakPolarHBondContact O-CB 3.5Å; F31-F35 PolarHBondContact O-N 3.36Å; F31-F72 AromaticContact CZ-CD2 3.89Å; F31-F72 HydrophobicContact CZ-CD2 3.89Å; F31-F72 AromaticContact CZ-CE2 3.89Å; F31-F72 HydrophobicContact CZ-CE2 3.89Å; F31-T75 HydrophobicContact CD1-CG2 4.28Å; F31-T75 HydrophobicContact CD2-CG2 3.62Å; F31-T75 HydrophobicContact CE1-CG2 4.04Å; F31-T75 HydrophobicContact CE2-CG2 3.32Å; F31-T75 HydrophobicContact CG-CG2 4.1Å; F31-T75 HydrophobicContact CZ-CG2 3.56Å; F31-I76 HydrophobicContact CE2-CD1 3.82Å; F31-I76 HydrophobicContact CE2-CG1 4.48Å
32T93Very high88.9Confident63 Ų6360.7 Ų60.739%0.38731%0.309SS..Hα-helixtrans-64.1-45.1178.1-61.20000111.9F28 L29 L30 F35 F36F28-T32 VanDerWaalsContact O-CB 3.31Å; F28-T32 WeakPolarHBondContact O-CB 3.38Å; F28-T32 PolarHBondContact O-N 3.15Å; F28-T32 PolarHBondContact O-OG1 2.95Å; L29-T32 PolarHBondContact O-N 3.15Å; L30-T32 PolarHBondContact O-N 3.48Å; T32-F35 PolarHBondContact O-N 2.89Å; T32-F36 PolarHBondContact O-N 3.21Å
33I93.3Very high89.3Confident104 Ų10463.6 Ų63.653%0.53333%0.325SS..Hα-helixtrans-63.2-48.2177.2-66.6166.5000109.9L29 L30 F35 F36 I37L29-I33 WeakPolarHBondContact O-CG1 3.03Å; L29-I33 PolarHBondContact O-N 3.41Å; L30-I33 PolarHBondContact O-N 3.42Å; I33-F35 VanDerWaalsContact C-N 3.3Å; I33-F35 PolarHBondContact O-N 3.17Å; I33-F36 PolarHBondContact O-N 3.15Å; I33-I37 HydrophobicContact CG2-CD1 3.91Å; I33-I37 WeakPolarHBondContact O-CG1 3.43Å; I33-I37 PolarHBondContact O-N 3.41Å
34L93Very high89.8Confident18 Ų1868.8 Ų68.89%0.09434%0.34CS..Hα-helixtrans-64.3-35.8178.8-68.7178.1000112.2L30 F31 I37 A38 T75 L78 T79L30-L34 HydrophobicContact CD1-CD1 4.01Å; L30-L34 HydrophobicContact CD1-CG 4.38Å; L30-L34 HydrophobicContact CG-CD1 4.07Å; L30-L34 WeakPolarHBondContact O-CB 3.4Å; L30-L34 VanDerWaalsContact O-CG 3.31Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 3.26Å; F31-L34 PolarHBondContact O-N 3.01Å; L34-I37 PolarHBondContact O-N 3.49Å; L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 3.38Å; L34-T75 HydrophobicContact CB-CG2 3.89Å; L34-L78 HydrophobicContact CD2-CB 4.35Å; L34-T79 HydrophobicContact CD1-CG2 4.32Å; L34-T79 VanDerWaalsContact CD1-OG1 3.3Å; L34-T79 WeakPolarHBondContact CD1-OG1 3.44Å
35F94.2Very high90Very high80 Ų8067.4 Ų67.435%0.35133%0.331SS..Hα-helixtrans-64.6-42176.1-174.4-90.4000111.6F31 T32 I33 A38 H39 T75F31-F35 HydrophobicContact CE1-CD2 4.3Å; F31-F35 WeakPolarHBondContact O-CB 3.5Å; F31-F35 PolarHBondContact O-N 3.36Å; T32-F35 PolarHBondContact O-N 2.89Å; I33-F35 VanDerWaalsContact C-N 3.3Å; I33-F35 PolarHBondContact O-N 3.17Å; F35-A38 PolarHBondContact O-N 3.05Å; F35-H39 VanDerWaalsContact O-CB 3.3Å; F35-H39 WeakPolarHBondContact O-CB 3.39Å; F35-H39 PolarHBondContact O-N 2.78Å; F35-T75 WeakPolarHBondContact CA-OG1 3.39Å; F35-T75 HydrophobicContact CB-CG2 4.13Å
36F94.6Very high89.9Confident132 Ų13265.3 Ų65.358%0.57932%0.317SS*.Hα-helixtrans-64.5-44.1175.7-170.5-107.2000111.7T32 I33 H39 I40T32-F36 PolarHBondContact O-N 3.21Å; I33-F36 PolarHBondContact O-N 3.15Å; F36-H39 PolarHBondContact O-N 3.33Å; F36-I40 HydrophobicContact CD1-CD1 3.57Å; F36-I40 HydrophobicContact CD1-CG1 4.47Å; F36-I40 HydrophobicContact CE1-CD1 3.17Å; F36-I40 HydrophobicContact CE1-CG1 4.26Å; F36-I40 HydrophobicContact CE2-CD1 4.34Å; F36-I40 HydrophobicContact CG-CD1 4.32Å; F36-I40 HydrophobicContact CZ-CD1 3.61Å; F36-I40 HydrophobicContact CZ-CG1 4.38Å; F36-I40 WeakPolarHBondContact O-CG1 3.42Å; F36-I40 PolarHBondContact O-N 3.49Å
37I93.9Very high89.4Confident78 Ų7864.6 Ų64.640%0.431%0.312SS..Hα-helixtrans-61-46174.9-66.1167.1000110.6I33 L34 H39 I40 T41 L78I33-I37 HydrophobicContact CG2-CD1 3.91Å; I33-I37 WeakPolarHBondContact O-CG1 3.43Å; I33-I37 PolarHBondContact O-N 3.41Å; L34-I37 PolarHBondContact O-N 3.49Å; I37-H39 VanDerWaalsContact C-N 3.34Å; I37-H39 PolarHBondContact O-N 2.98Å; I37-I40 PolarHBondContact O-N 3.02Å; I37-T41 WeakPolarHBondContact O-CB 3.33Å; I37-T41 PolarHBondContact O-N 3.37Å; I37-T41 PolarHBondContact O-OG1 3.27Å; I37-L78 HydrophobicContact CG2-CD1 4.5Å
38A93.7Very high88.6Confident0 Ų071.4 Ų71.40%034%0.336CS..Hα-helixtrans-60-44.4177.200000111.3L34 F35 T41 L42 L74 L78L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.37Å; L34-A38 PolarHBondContact O-N 3.38Å; F35-A38 PolarHBondContact O-N 3.05Å; A38-T41 PolarHBondContact O-N 3.07Å; A38-L42 WeakPolarHBondContact O-CG 3.41Å; A38-L42 PolarHBondContact O-N 3.37Å; A38-L74 HydrophobicContact CB-CB 4.18Å; A38-L74 HydrophobicContact CB-CD2 3.89Å; A38-L74 HydrophobicContact CB-CG 3.95Å; A38-L78 HydrophobicContact CB-CD1 4.02Å
39H92.4Very high87.1Confident57 Ų5769 Ų6926%0.26433%0.333SS..Hα-helixtrans-64.2-46.6179.3-169.367000112.4F35 F36 I37 T41 L42 Q43 T71F35-H39 VanDerWaalsContact O-CB 3.3Å; F35-H39 WeakPolarHBondContact O-CB 3.39Å; F35-H39 PolarHBondContact O-N 2.78Å; F36-H39 PolarHBondContact O-N 3.33Å; I37-H39 VanDerWaalsContact C-N 3.34Å; I37-H39 PolarHBondContact O-N 2.98Å; H39-T41 VanDerWaalsContact C-N 3.31Å; H39-T41 PolarHBondContact O-N 3.31Å; H39-L42 PolarHBondContact O-N 3.35Å; H39-Q43 PolarHBondContact CD2-NE2 3.37Å; H39-Q43 PolarHBondContact NE2-NE2 3.45Å; H39-Q43 WeakPolarHBondContact O-CG 3.47Å; H39-Q43 PolarHBondContact O-N 3.22Å; H39-T71 HydrophobicContact CB-CG2 4.35Å; H39-T71 WeakPolarHBondContact ND1-CG2 3.39Å
40I91.8Very high85.6Confident80 Ų8066.7 Ų66.741%0.4132%0.319SS..Hα-helixtrans-59.8-45174.8-71.5172.6000110.5F36 I37 L42 Q43 Y44F36-I40 HydrophobicContact CD1-CD1 3.57Å; F36-I40 HydrophobicContact CD1-CG1 4.47Å; F36-I40 HydrophobicContact CE1-CD1 3.17Å; F36-I40 HydrophobicContact CE1-CG1 4.26Å; F36-I40 HydrophobicContact CE2-CD1 4.34Å; F36-I40 HydrophobicContact CG-CD1 4.32Å; F36-I40 HydrophobicContact CZ-CD1 3.61Å; F36-I40 HydrophobicContact CZ-CG1 4.38Å; F36-I40 WeakPolarHBondContact O-CG1 3.42Å; F36-I40 PolarHBondContact O-N 3.49Å; I37-I40 PolarHBondContact O-N 3.02Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.45Å; I40-Q43 PolarHBondContact O-N 2.93Å; I40-Y44 WeakPolarHBondContact O-CB 3.49Å; I40-Y44 PolarHBondContact O-N 3.06Å
41T89.9Confident83.9Confident52 Ų5268 Ų6832%0.31933%0.331SS..Hα-helixtrans-59.8-44.2-179.7-57.20000111I37 A38 H39 Y44 F45I37-T41 WeakPolarHBondContact O-CB 3.33Å; I37-T41 PolarHBondContact O-N 3.37Å; I37-T41 PolarHBondContact O-OG1 3.27Å; A38-T41 PolarHBondContact O-N 3.07Å; H39-T41 VanDerWaalsContact C-N 3.31Å; H39-T41 PolarHBondContact O-N 3.31Å; T41-Y44 WeakPolarHBondContact O-CB 3.37Å; T41-Y44 PolarHBondContact O-N 2.96Å; T41-F45 HydrophobicContact CG2-CD2 4.14Å; T41-F45 HydrophobicContact CG2-CE2 3.85Å; T41-F45 WeakPolarHBondContact O-CD2 3.48Å; T41-F45 PolarHBondContact O-N 3.46Å
42L90.2Very high82.3Confident7 Ų771.7 Ų71.74%0.03735%0.349CS..Hα-helixtrans-66.8-45.1177.9-70.1165.7000111.8A38 H39 I40 Y44 F45 L46 L67 C70 T71 L74 M512 I516A38-L42 WeakPolarHBondContact O-CG 3.41Å; A38-L42 PolarHBondContact O-N 3.37Å; H39-L42 PolarHBondContact O-N 3.35Å; I40-L42 VanDerWaalsContact C-N 3.32Å; I40-L42 PolarHBondContact O-N 3.45Å; L42-Y44 PolarHBondContact O-N 3.32Å; L42-F45 PolarHBondContact O-N 3.16Å; L42-L46 VanDerWaalsContact O-CB 3.26Å; L42-L46 WeakPolarHBondContact O-CB 3.43Å; L42-L46 PolarHBondContact O-N 3.41Å; L42-L67 HydrophobicContact CB-CD1 4.34Å; L42-C70 HydrophobicContact CD1-CB 4.23Å; L42-T71 HydrophobicContact CD1-CG2 3.45Å; L42-T71 VanDerWaalsContact CD1-CG2 3.45Å; L42-L74 HydrophobicContact CD1-CD2 4.01Å; L42-L74 HydrophobicContact CD2-CD2 4.08Å; L42-L74 HydrophobicContact CG-CD2 3.76Å; L42-M512 HydrophobicContact CB-SD 4.27Å; L42-M512 HydrophobicContact CD2-CE 4.01Å; L42-M512 HydrophobicContact CD2-CG 3.63Å; L42-M512 HydrophobicContact CD2-SD 3.4Å; L42-M512 WeakPolarHBondContact CD2-SD 3.47Å; L42-M512 HydrophobicContact CG-SD 4.41Å; L42-I516 HydrophobicContact CD1-CD1 4.44Å; L42-I516 HydrophobicContact CD2-CD1 3.57Å; L42-I516 HydrophobicContact CD2-CG1 4.31Å
43Q87.1Confident80.5Confident108 Ų10875.7 Ų75.751%0.50537%0.367SS..Hα-helixtrans-61.4-31.6176.1-72.8-169-2.800113H39 I40 F45H39-Q43 PolarHBondContact CD2-NE2 3.37Å; H39-Q43 PolarHBondContact NE2-NE2 3.45Å; H39-Q43 WeakPolarHBondContact O-CG 3.47Å; H39-Q43 PolarHBondContact O-N 3.22Å; I40-Q43 PolarHBondContact O-N 2.93Å; Q43-F45 VanDerWaalsContact C-N 3.34Å
44Y87.9Confident79Confident125 Ų12573.3 Ų73.349%0.4935%0.353SS..Hα-helixtrans-65.7-36.5178.2-175.3-95.7000112.5I40 T41 L42 Y504 R505I40-Y44 WeakPolarHBondContact O-CB 3.49Å; I40-Y44 PolarHBondContact O-N 3.06Å; T41-Y44 WeakPolarHBondContact O-CB 3.37Å; T41-Y44 PolarHBondContact O-N 2.96Å; L42-Y44 PolarHBondContact O-N 3.32Å; Y44-Y504 AromaticContact CD1-CD2 4Å; Y44-Y504 HydrophobicContact CD1-CD2 4Å; Y44-Y504 HydrophobicContact CD1-CE2 4.37Å; Y44-Y504 HydrophobicContact CD2-CD2 4.18Å; Y44-Y504 AromaticContact CD2-CE2 3.73Å; Y44-Y504 HydrophobicContact CD2-CE2 3.73Å; Y44-Y504 AromaticContact CE1-CD2 3.56Å; Y44-Y504 HydrophobicContact CE1-CD2 3.56Å; Y44-Y504 HydrophobicContact CE1-CE2 4.07Å; Y44-Y504 AromaticContact CE2-CD2 3.77Å; Y44-Y504 HydrophobicContact CE2-CD2 3.77Å; Y44-Y504 AromaticContact CE2-CE2 3.36Å; Y44-Y504 HydrophobicContact CE2-CE2 3.36Å; Y44-Y504 HydrophobicContact CG-CD2 4.27Å; Y44-Y504 HydrophobicContact CG-CE2 4.21Å; Y44-Y504 AromaticContact CZ-CD2 3.42Å; Y44-Y504 VanDerWaalsContact CZ-CD2 3.42Å; Y44-Y504 AromaticContact CZ-CE2 3.54Å; Y44-Y504 WeakPolarHBondContact O-CD2 3.29Å; Y44-R505 PolarHBondContact O-N 3.03Å
45F85Confident77.4Confident59 Ų5976.8 Ų76.826%0.25938%0.377SS..Hα-helixtrans-94.3-26-179-66.5-64.1000114.3T41 L42 Q43 P502 R505 T507T41-F45 HydrophobicContact CG2-CD2 4.14Å; T41-F45 HydrophobicContact CG2-CE2 3.85Å; T41-F45 WeakPolarHBondContact O-CD2 3.48Å; T41-F45 PolarHBondContact O-N 3.46Å; L42-F45 PolarHBondContact O-N 3.16Å; Q43-F45 VanDerWaalsContact C-N 3.34Å; F45-P502 HydrophobicContact CB-CB 4.28Å; F45-P502 HydrophobicContact CD1-CB 3.68Å; F45-P502 HydrophobicContact CD1-CG 4.31Å; F45-P502 HydrophobicContact CD2-CB 4.43Å; F45-P502 HydrophobicContact CE1-CB 4.06Å; F45-P502 HydrophobicContact CE1-CG 4.19Å; F45-P502 HydrophobicContact CG-CB 3.89Å; F45-P502 HydrophobicContact CZ-CG 4.42Å; F45-R505 PolarHBondContact O-N 2.92Å; F45-T507 WeakPolarHBondContact O-CB 3.34Å; F45-T507 PolarHBondContact O-N 3.09Å; F45-T507 PolarHBondContact O-OG1 3.05Å
46L83.7Confident76.3Confident21 Ų2178.4 Ų78.411%0.1138%0.381CS..BIsolated β-bridgetrans-66.5134.9-176-172.865.9000111.8L42 R48 L67 M512L42-L46 VanDerWaalsContact O-CB 3.26Å; L42-L46 WeakPolarHBondContact O-CB 3.43Å; L42-L46 PolarHBondContact O-N 3.41Å; L46-R48 PolarHBondContact O-N 3.31Å; L46-L67 HydrophobicContact CD2-CD1 4.24Å; L46-L67 HydrophobicContact CD2-CD2 4.37Å; L46-M512 HydrophobicContact CB-SD 4.46Å; L46-M512 HydrophobicContact CD1-CE 4.25Å; L46-M512 HydrophobicContact CD1-SD 4.12Å
47T74Confident75.5Confident22 Ų2281.8 Ų81.814%0.13539%0.39CS..  trans-68.2123.1176.9-48.50000110.7T49 E50 R505 A506 T507T47-T49 HydrophobicContact CG2-CG2 4.37Å; T47-T49 WeakPolarHBondContact CG2-OG1 3.48Å; T47-T49 PolarHBondContact O-N 3.4Å; T47-T49 VanDerWaalsContact O-N 3.13Å; T47-E50 PolarHBondContact O-N 3.21Å; T47-R505 WeakPolarHBondContact CA-O 3.29Å; T47-R505 WeakPolarHBondContact CG2-O 3.41Å; T47-A506 WeakPolarHBondContact OG1-CA 3.37Å; T47-T507 PolarHBondContact N-O 2.89Å; T47-T507 VanDerWaalsContact OG1-C 3.28Å; T47-T507 PolarHBondContact OG1-N 2.91Å; T47-T507 PolarHBondContact OG1-O 2.89Å
48R66Low74.6Confident166 Ų16678.6 Ų78.663%0.62638%0.376SS*.Hα-helixtrans-59.8-25.9179.9-170.4172.9176.6167.70.1113.1L46 E50 E52L46-R48 PolarHBondContact O-N 3.31Å; R48-E50 PolarHBondContact O-N 3.01Å; R48-E52 IonicContact CZ-OE1 3.42Å; R48-E52 IonicContact NE-OE1 2.68Å; R48-E52 PolarHBondContact NE-OE1 2.85Å; R48-E52 IonicContact NH2-OE1 3.91Å; R48-E52 PolarHBondContact NH2-OE1 3.37Å
49T56.8Low73.8Confident89 Ų8981.9 Ų81.955%0.54639%0.392SS..Hα-helixtrans-71.5-26.3-174.958.50000113.9T47 C51 L53T47-T49 HydrophobicContact CG2-CG2 4.37Å; T47-T49 WeakPolarHBondContact CG2-OG1 3.48Å; T47-T49 PolarHBondContact O-N 3.4Å; T47-T49 VanDerWaalsContact O-N 3.13Å; T49-C51 PolarHBondContact O-N 2.95Å; T49-L53 WeakPolarHBondContact O-CB 3.42Å; T49-L53 PolarHBondContact O-N 3.02Å; T49-L53 VanDerWaalsContact O-N 3.16Å
50E58.1Low73.1Confident47 Ų4784.8 Ų84.822%0.2240%0.4CS..Hα-helixtrans-72.8-29.1-177.8-69.5-173.1173.900113.2T47 R48 S508 L509T47-E50 PolarHBondContact O-N 3.21Å; R48-E50 PolarHBondContact O-N 3.01Å; E50-S508 VanDerWaalsContact OE1-CA 3.3Å; E50-S508 WeakPolarHBondContact OE1-CA 3.21Å; E50-S508 VanDerWaalsContact OE1-CB 3.27Å; E50-S508 WeakPolarHBondContact OE1-CB 3.48Å; E50-L509 PolarHBondContact OE2-N 3.4Å
51C53.8Low72.7Confident69 Ų6984.2 Ų84.247%0.46640%0.398SS..Hα-helixtrans-82.1-38.1179.3-74.80000112.6T49T49-C51 PolarHBondContact O-N 2.95Å
52E54.7Low72.4Confident128 Ų12881.7 Ų81.760%0.59838%0.382SS*.Hα-helixtrans-84.2-27.3-175.4-66.8-168.5-163.300112.8R48R48-E52 IonicContact CZ-OE1 3.42Å; R48-E52 IonicContact NE-OE1 2.68Å; R48-E52 PolarHBondContact NE-OE1 2.85Å; R48-E52 IonicContact NH2-OE1 3.91Å; R48-E52 PolarHBondContact NH2-OE1 3.37Å
53L55.6Low72.2Confident148 Ų14882.3 Ų82.378%0.77539%0.385SS*.SBendtrans-88.4-7-172.8-145.880.3000115.1T49 P55T49-L53 WeakPolarHBondContact O-CB 3.42Å; T49-L53 PolarHBondContact O-N 3.02Å; T49-L53 VanDerWaalsContact O-N 3.16Å; L53-P55 VanDerWaalsContact O-CD 3.29Å; L53-P55 WeakPolarHBondContact O-CD 3.41Å
54K62.3Low72.2Confident54 Ų5483 Ų8324%0.23539%0.388CS..  trans-86.5112.2179.1-65.9-171.8-171.6-164.40110.1Y56 E59 R60 H63K54-Y56 VanDerWaalsContact C-N 3.33Å; K54-Y56 PolarHBondContact O-N 3.1Å; K54-E59 HydrophobicContact CB-CB 4.34Å; K54-E59 HydrophobicContact CD-CB 4.24Å; K54-R60 HydrophobicContact CB-CG 4.46Å; K54-R60 VanDerWaalsContact O-CZ 3.31Å; K54-R60 PolarHBondContact O-NE 2.96Å; K54-R60 PolarHBondContact O-NH2 3.46Å; K54-H63 PolarHBondContact NZ-CE1 3.04Å; K54-H63 PolarHBondContact NZ-NE2 2.91Å
55P60.3Low72.2Confident90 Ų9080.8 Ų80.858%0.58438%0.384SS*.  trans-75.8-21.7-171.928.6-32000112.7L53L53-P55 VanDerWaalsContact O-CD 3.29Å; L53-P55 WeakPolarHBondContact O-CD 3.41Å
56Y70.9Confident72.5Confident114 Ų11478 Ų7845%0.44737%0.372SS..  trans-97.8135.7-170.9-58.3-68000113.8K54 G58 E59 R60 H146K54-Y56 VanDerWaalsContact C-N 3.33Å; K54-Y56 PolarHBondContact O-N 3.1Å; Y56-G58 VanDerWaalsContact C-N 3.34Å; Y56-G58 PolarHBondContact O-N 3.35Å; Y56-E59 PolarHBondContact O-N 2.96Å; Y56-R60 PolarHBondContact O-N 3.29Å; Y56-R60 VanDerWaalsContact O-N 3.16Å; Y56-H146 AromaticContact CD1-CE1 3.89Å; Y56-H146 AromaticContact CD1-ND1 3.82Å; Y56-H146 AromaticContact CE1-CE1 3.77Å
57R77.5Confident72.8Confident204 Ų20478.2 Ų78.277%0.7737%0.373SS*.Hα-helixtrans-57.3-41.3-179.7-173.6176.4-177.5169.70.7113.3E59 R60 L61R57-E59 PolarHBondContact O-N 3.43Å; R57-R60 PolarHBondContact O-N 2.96Å; R57-L61 HydrophobicContact CG-CD1 4.21Å; R57-L61 WeakPolarHBondContact O-CG 3.46Å; R57-L61 PolarHBondContact O-N 3.47Å
58G74.7Confident73.6Confident10 Ų1078.7 Ų78.710%0.10338%0.383CS..Hα-helixtrans-64.3-38.2-179.600000113.2Y56 A62Y56-G58 VanDerWaalsContact C-N 3.34Å; Y56-G58 PolarHBondContact O-N 3.35Å; G58-A62 PolarHBondContact O-N 2.88Å; G58-A62 VanDerWaalsContact O-N 3.09Å
59E76.1Confident74.9Confident70 Ų7072.1 Ų72.133%0.32736%0.36SS..Hα-helixtrans-68.9-44.4175.3-66.5179179.900111.2K54 Y56 R57 L61 A62 H63K54-E59 HydrophobicContact CB-CB 4.34Å; K54-E59 HydrophobicContact CD-CB 4.24Å; Y56-E59 PolarHBondContact O-N 2.96Å; R57-E59 PolarHBondContact O-N 3.43Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 2.76Å; E59-A62 PolarHBondContact O-N 3.38Å; E59-H63 PolarHBondContact O-N 3.31Å; E59-H63 PolarHBondContact O-ND1 3.49Å
60R78.4Confident76.6Confident117 Ų11768 Ų6844%0.44233%0.334SS..Hα-helixtrans-57-46.2176.9-68.3179.8-170.91772111.8K54 Y56 R57 H63 Q64K54-R60 HydrophobicContact CB-CG 4.46Å; K54-R60 VanDerWaalsContact O-CZ 3.31Å; K54-R60 PolarHBondContact O-NE 2.96Å; K54-R60 PolarHBondContact O-NH2 3.46Å; Y56-R60 PolarHBondContact O-N 3.29Å; Y56-R60 VanDerWaalsContact O-N 3.16Å; R57-R60 PolarHBondContact O-N 2.96Å; R60-H63 PolarHBondContact O-N 3.49Å; R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.41Å
61L83Confident78.3Confident68 Ų6865.9 Ų65.936%0.35633%0.325SS..Hα-helixtrans-64.5-39.7178-70.5173000112.2R57 E59 H63 Q64 L65 L148R57-L61 HydrophobicContact CG-CD1 4.21Å; R57-L61 WeakPolarHBondContact O-CG 3.46Å; R57-L61 PolarHBondContact O-N 3.47Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 2.76Å; L61-H63 PolarHBondContact O-N 3.07Å; L61-Q64 PolarHBondContact O-N 3.34Å; L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 3.35Å; L61-L148 HydrophobicContact CB-CD1 3.66Å
62A84.7Confident80.1Confident0 Ų065.6 Ų65.60%032%0.316CS..Hα-helixtrans-61.4-43.517500000111.7G58 E59 L65 V66 L135 L148G58-A62 PolarHBondContact O-N 2.88Å; G58-A62 VanDerWaalsContact O-N 3.09Å; E59-A62 PolarHBondContact O-N 3.38Å; A62-L65 PolarHBondContact O-N 3.06Å; A62-V66 WeakPolarHBondContact O-CG2 3.26Å; A62-V66 PolarHBondContact O-N 3.25Å; A62-L135 HydrophobicContact CB-CG 4.41Å; A62-L148 HydrophobicContact CB-CD1 4.41Å
63H84.7Confident82Confident20 Ų2059.6 Ų59.69%0.09329%0.288CS..Hα-helixtrans-64.8-39.7176.2-71.374.7000112.1K54 E59 R60 L61 V66 L67K54-H63 PolarHBondContact NZ-CE1 3.04Å; K54-H63 PolarHBondContact NZ-NE2 2.91Å; E59-H63 PolarHBondContact O-N 3.31Å; E59-H63 PolarHBondContact O-ND1 3.49Å; R60-H63 PolarHBondContact O-N 3.49Å; L61-H63 PolarHBondContact O-N 3.07Å; H63-V66 PolarHBondContact O-N 3.09Å; H63-L67 WeakPolarHBondContact O-CB 3.12Å; H63-L67 PolarHBondContact O-N 3.34Å
64Q87.6Confident83.8Confident122 Ų12253.2 Ų53.257%0.5725%0.254SS*.Hα-helixtrans-64.9-40.9175.7-74.5175.5-19.900112.4R60 L61 L67 G68R60-Q64 WeakPolarHBondContact O-CG 3.46Å; R60-Q64 PolarHBondContact O-N 3.41Å; L61-Q64 PolarHBondContact O-N 3.34Å; Q64-L67 PolarHBondContact O-N 2.96Å; Q64-G68 PolarHBondContact O-N 3.3Å
65L88.9Confident85.4Confident78 Ų7850.7 Ų50.741%0.40824%0.243SC..Hα-helixtrans-63.3-45.9175.5-76.1173.2000111.5L61 A62 L67 G68 I69 L135 L148 L152L61-L65 WeakPolarHBondContact O-CG 3.44Å; L61-L65 PolarHBondContact O-N 3.35Å; A62-L65 PolarHBondContact O-N 3.06Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L65-G68 WeakPolarHBondContact O-CA 3.25Å; L65-G68 PolarHBondContact O-N 3.4Å; L65-G68 VanDerWaalsContact O-N 3.12Å; L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 2.94Å; L65-L135 HydrophobicContact CB-CD2 4.22Å; L65-L148 HydrophobicContact CD1-CD1 4.13Å; L65-L148 HydrophobicContact CD1-CD2 4.19Å; L65-L152 HydrophobicContact CD1-CD2 4.4Å
66V90.6Very high86.9Confident0 Ų046.6 Ų46.60%022%0.216CC..Hα-helixtrans-65.6-40.6177.8-178.80000111.1A62 H63 G68 I69 C70 L135 L136 L509A62-V66 WeakPolarHBondContact O-CG2 3.26Å; A62-V66 PolarHBondContact O-N 3.25Å; H63-V66 PolarHBondContact O-N 3.09Å; V66-G68 PolarHBondContact O-N 3.4Å; V66-I69 PolarHBondContact O-N 3.48Å; V66-I69 VanDerWaalsContact O-N 3.17Å; V66-C70 WeakPolarHBondContact O-CB 3.38Å; V66-C70 PolarHBondContact O-N 3.01Å; V66-C70 PolarHBondContact O-SG 3.11Å; V66-C70 VanDerWaalsContact O-SG 3.33Å; V66-L135 HydrophobicContact CG2-CB 4.15Å; V66-L135 HydrophobicContact CG2-CD2 3.8Å; V66-L135 HydrophobicContact CG2-CG 4.15Å; V66-L136 HydrophobicContact CB-CD2 4.25Å; V66-L136 HydrophobicContact CG1-CD1 4.15Å; V66-L136 HydrophobicContact CG1-CD2 4.35Å; V66-L136 HydrophobicContact CG1-CG 4.3Å; V66-L136 HydrophobicContact CG2-CD2 3.96Å; V66-L136 HydrophobicContact CG2-CG 4.03Å; V66-L509 HydrophobicContact CB-CD1 4.4Å; V66-L509 HydrophobicContact CB-CD2 4.17Å; V66-L509 HydrophobicContact CG1-CD1 4.38Å; V66-L509 HydrophobicContact CG1-CD2 3.32Å; V66-L509 HydrophobicContact CG1-CG 4.45Å
67L90.6Very high87.9Confident27 Ų2741.1 Ų41.114%0.14120%0.195CC..Hα-helixtrans-58.7-39.9172.3-176.963.5000111.2L42 L46 H63 Q64 L65 C70 T71 M512L42-L67 HydrophobicContact CB-CD1 4.34Å; L46-L67 HydrophobicContact CD2-CD1 4.24Å; L46-L67 HydrophobicContact CD2-CD2 4.37Å; H63-L67 WeakPolarHBondContact O-CB 3.12Å; H63-L67 PolarHBondContact O-N 3.34Å; Q64-L67 PolarHBondContact O-N 2.96Å; L65-L67 VanDerWaalsContact C-N 3.34Å; L67-C70 WeakPolarHBondContact O-CB 3.44Å; L67-C70 PolarHBondContact O-N 3.15Å; L67-T71 VanDerWaalsContact O-CG2 3.24Å; L67-T71 WeakPolarHBondContact O-CG2 3.23Å; L67-T71 PolarHBondContact O-N 3.2Å; L67-T71 PolarHBondContact O-OG1 3.36Å; L67-M512 HydrophobicContact CD1-CE 3.72Å
68G90.5Very high88.6Confident32 Ų3233.2 Ų33.233%0.3317%0.168SC..Hα-helixtrans-58.5-48.6172.400000112.8Q64 L65 V66 C70 T71 F72Q64-G68 PolarHBondContact O-N 3.3Å; L65-G68 WeakPolarHBondContact O-CA 3.25Å; L65-G68 PolarHBondContact O-N 3.4Å; L65-G68 VanDerWaalsContact O-N 3.12Å; V66-G68 PolarHBondContact O-N 3.4Å; G68-C70 VanDerWaalsContact C-N 3.32Å; G68-C70 PolarHBondContact O-N 2.97Å; G68-T71 WeakPolarHBondContact CA-OG1 3.44Å; G68-T71 PolarHBondContact O-N 3.19Å; G68-T71 PolarHBondContact O-OG1 3.25Å; G68-F72 PolarHBondContact O-N 3.33Å
69I92.4Very high89.3Confident28 Ų2833 Ų3314%0.14417%0.165CC..Hα-helixtrans-62.1-41.7176.9-63.8166.2000111L65 V66 F72 T73 F131 S132L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 2.94Å; V66-I69 PolarHBondContact O-N 3.48Å; V66-I69 VanDerWaalsContact O-N 3.17Å; I69-F72 PolarHBondContact O-N 3.06Å; I69-T73 WeakPolarHBondContact O-CB 3.27Å; I69-T73 PolarHBondContact O-N 3.12Å; I69-T73 PolarHBondContact O-OG1 3.45Å; I69-F131 HydrophobicContact CD1-CD1 3.81Å; I69-F131 HydrophobicContact CD1-CE1 3.98Å; I69-S132 VanDerWaalsContact CD1-OG 3.29Å; I69-S132 WeakPolarHBondContact CD1-OG 3.48Å; I69-S132 VanDerWaalsContact CG2-OG 3.28Å; I69-S132 WeakPolarHBondContact CG2-OG 2.96Å
70C92.6Very high89.8Confident1 Ų130 Ų301%0.00715%0.152CC..Hα-helixtrans-60.2-45.1174.5-75.20000111.8L42 V66 L67 G68 T73 L74 M512 I516L42-C70 HydrophobicContact CD1-CB 4.23Å; V66-C70 WeakPolarHBondContact O-CB 3.38Å; V66-C70 PolarHBondContact O-N 3.01Å; V66-C70 PolarHBondContact O-SG 3.11Å; V66-C70 VanDerWaalsContact O-SG 3.33Å; L67-C70 WeakPolarHBondContact O-CB 3.44Å; L67-C70 PolarHBondContact O-N 3.15Å; G68-C70 VanDerWaalsContact C-N 3.32Å; G68-C70 PolarHBondContact O-N 2.97Å; C70-T73 PolarHBondContact O-N 2.9Å; C70-L74 VanDerWaalsContact O-CB 3.31Å; C70-L74 WeakPolarHBondContact O-CB 3.39Å; C70-L74 PolarHBondContact O-N 3Å; C70-M512 HydrophobicContact CB-CE 4.15Å; C70-I516 HydrophobicContact CB-CD1 3.39Å
71T93.5Very high90.3Very high4 Ų425.1 Ų25.13%0.02513%0.133CC..Hα-helixtrans-62.8-44.1176.858.40000111.8H39 L42 L67 G68 T75H39-T71 HydrophobicContact CB-CG2 4.35Å; H39-T71 WeakPolarHBondContact ND1-CG2 3.39Å; L42-T71 HydrophobicContact CD1-CG2 3.45Å; L42-T71 VanDerWaalsContact CD1-CG2 3.45Å; L67-T71 VanDerWaalsContact O-CG2 3.24Å; L67-T71 WeakPolarHBondContact O-CG2 3.23Å; L67-T71 PolarHBondContact O-N 3.2Å; L67-T71 PolarHBondContact O-OG1 3.36Å; G68-T71 WeakPolarHBondContact CA-OG1 3.44Å; G68-T71 PolarHBondContact O-N 3.19Å; G68-T71 PolarHBondContact O-OG1 3.25Å; T71-T75 WeakPolarHBondContact O-CB 3.4Å; T71-T75 PolarHBondContact O-N 3.36Å; T71-T75 PolarHBondContact O-OG1 3.32Å
72F93.5Very high90.5Very high63 Ų6323.9 Ų23.928%0.27613%0.13SC..Hα-helixtrans-61.8-49177.1177.2-99.6000111.4F31 G68 I69 L74 T75 I76 I124F31-F72 AromaticContact CZ-CD2 3.89Å; F31-F72 HydrophobicContact CZ-CD2 3.89Å; F31-F72 AromaticContact CZ-CE2 3.89Å; F31-F72 HydrophobicContact CZ-CE2 3.89Å; G68-F72 PolarHBondContact O-N 3.33Å; I69-F72 PolarHBondContact O-N 3.06Å; F72-L74 PolarHBondContact O-N 2.56Å; F72-T75 WeakPolarHBondContact O-CB 3.33Å; F72-T75 PolarHBondContact O-N 2.91Å; F72-T75 VanDerWaalsContact O-N 3.13Å; F72-I76 HydrophobicContact CD1-CG1 4.43Å; F72-I76 HydrophobicContact CE1-CG1 3.99Å; F72-I76 HydrophobicContact CE2-CD1 4.43Å; F72-I76 HydrophobicContact CE2-CG1 4.33Å; F72-I76 HydrophobicContact CZ-CD1 4.15Å; F72-I76 HydrophobicContact CZ-CG1 3.94Å; F72-I76 WeakPolarHBondContact O-CG1 3.38Å; F72-I76 PolarHBondContact O-N 3.35Å; F72-I124 HydrophobicContact CE1-CG2 4.06Å
73T93.7Very high90.5Very high1 Ų124.4 Ų24.41%0.00613%0.133CC..Hα-helixtrans-62.6-43.6-179.4-54.10000111.7I69 C70 T75 I76 G77 I129 I516 L520I69-T73 WeakPolarHBondContact O-CB 3.27Å; I69-T73 PolarHBondContact O-N 3.12Å; I69-T73 PolarHBondContact O-OG1 3.45Å; C70-T73 PolarHBondContact O-N 2.9Å; T73-T75 VanDerWaalsContact C-N 3.29Å; T73-T75 PolarHBondContact O-N 2.98Å; T73-I76 PolarHBondContact O-N 3.19Å; T73-G77 PolarHBondContact O-N 3.31Å; T73-I129 HydrophobicContact CG2-CD1 4.23Å; T73-I516 HydrophobicContact CG2-CG2 3.39Å; T73-L520 HydrophobicContact CG2-CB 4.42Å; T73-L520 HydrophobicContact CG2-CD1 4.39Å; T73-L520 HydrophobicContact CG2-CD2 3.93Å; T73-L520 HydrophobicContact CG2-CG 4.49Å
74L94.2Very high90.3Very high15 Ų1523.6 Ų23.68%0.07913%0.129CC..Hα-helixtrans-64.1-36.3176.3-176.761.8000111.6A38 L42 C70 F72 G77 L78 F519A38-L74 HydrophobicContact CB-CB 4.18Å; A38-L74 HydrophobicContact CB-CD2 3.89Å; A38-L74 HydrophobicContact CB-CG 3.95Å; L42-L74 HydrophobicContact CD1-CD2 4.01Å; L42-L74 HydrophobicContact CD2-CD2 4.08Å; L42-L74 HydrophobicContact CG-CD2 3.76Å; C70-L74 VanDerWaalsContact O-CB 3.31Å; C70-L74 WeakPolarHBondContact O-CB 3.39Å; C70-L74 PolarHBondContact O-N 3Å; F72-L74 PolarHBondContact O-N 2.56Å; L74-G77 PolarHBondContact O-N 3.39Å; L74-L78 HydrophobicContact CD1-CG 4.48Å; L74-L78 HydrophobicContact CG-CD1 4.19Å; L74-L78 HydrophobicContact CG-CG 4.49Å; L74-L78 WeakPolarHBondContact O-CB 2.92Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 2.98Å; L74-F519 HydrophobicContact CD1-CD1 3.71Å; L74-F519 HydrophobicContact CD1-CE1 3.69Å; L74-F519 HydrophobicContact CD1-CG 4.27Å; L74-F519 HydrophobicContact CD1-CZ 4.26Å
75T94.5Very high90.1Very high0 Ų018.3 Ų18.30%011%0.106CC..Hα-helixtrans-64.2-44.7175.7-52.70000111.1F31 L34 F35 T71 F72 T73 G77 L78 T79F31-T75 HydrophobicContact CD1-CG2 4.28Å; F31-T75 HydrophobicContact CD2-CG2 3.62Å; F31-T75 HydrophobicContact CE1-CG2 4.04Å; F31-T75 HydrophobicContact CE2-CG2 3.32Å; F31-T75 HydrophobicContact CG-CG2 4.1Å; F31-T75 HydrophobicContact CZ-CG2 3.56Å; L34-T75 HydrophobicContact CB-CG2 3.89Å; F35-T75 WeakPolarHBondContact CA-OG1 3.39Å; F35-T75 HydrophobicContact CB-CG2 4.13Å; T71-T75 WeakPolarHBondContact O-CB 3.4Å; T71-T75 PolarHBondContact O-N 3.36Å; T71-T75 PolarHBondContact O-OG1 3.32Å; F72-T75 WeakPolarHBondContact O-CB 3.33Å; F72-T75 PolarHBondContact O-N 2.91Å; F72-T75 VanDerWaalsContact O-N 3.13Å; T73-T75 VanDerWaalsContact C-N 3.29Å; T73-T75 PolarHBondContact O-N 2.98Å; T75-G77 PolarHBondContact O-N 3.43Å; T75-L78 PolarHBondContact O-N 3.12Å; T75-T79 WeakPolarHBondContact O-CB 3.4Å; T75-T79 PolarHBondContact O-N 3.15Å; T75-T79 PolarHBondContact O-OG1 2.9Å
76I92.1Very high89.8Confident4 Ų416.8 Ų16.82%0.02110%0.096CC..Hα-helixtrans-61.5-43.8174.7-65.9-64000111F31 F72 T73 T79 S80 L520F31-I76 HydrophobicContact CE2-CD1 3.82Å; F31-I76 HydrophobicContact CE2-CG1 4.48Å; F72-I76 HydrophobicContact CD1-CG1 4.43Å; F72-I76 HydrophobicContact CE1-CG1 3.99Å; F72-I76 HydrophobicContact CE2-CD1 4.43Å; F72-I76 HydrophobicContact CE2-CG1 4.33Å; F72-I76 HydrophobicContact CZ-CD1 4.15Å; F72-I76 HydrophobicContact CZ-CG1 3.94Å; F72-I76 WeakPolarHBondContact O-CG1 3.38Å; F72-I76 PolarHBondContact O-N 3.35Å; T73-I76 PolarHBondContact O-N 3.19Å; I76-T79 PolarHBondContact O-N 3.05Å; I76-S80 WeakPolarHBondContact O-CB 3.43Å; I76-S80 PolarHBondContact O-N 3.46Å; I76-L520 HydrophobicContact CG2-CD1 4.26Å
77G92.1Very high89.3Confident0 Ų017.1 Ų17.10%010%0.098CC..Hα-helixtrans-61-44.6175.100000113.1T73 L74 T75 T79 S80 Y81T73-G77 PolarHBondContact O-N 3.31Å; L74-G77 PolarHBondContact O-N 3.39Å; T75-G77 PolarHBondContact O-N 3.43Å; G77-T79 VanDerWaalsContact C-N 3.34Å; G77-T79 PolarHBondContact O-N 3Å; G77-S80 WeakPolarHBondContact O-CB 3.5Å; G77-S80 PolarHBondContact O-N 3.22Å; G77-Y81 VanDerWaalsContact O-CD2 3.3Å; G77-Y81 WeakPolarHBondContact O-CD2 3.49Å; G77-Y81 PolarHBondContact O-N 3.26Å
78L92.5Very high88.7Confident37 Ų3715.9 Ų15.919%0.1949%0.091CC..Hα-helixtrans-65.5-38177.1-76.1170.2000112L34 I37 A38 L74 T75 Y81 S82 F519L34-L78 HydrophobicContact CD2-CB 4.35Å; I37-L78 HydrophobicContact CG2-CD1 4.5Å; A38-L78 HydrophobicContact CB-CD1 4.02Å; L74-L78 HydrophobicContact CD1-CG 4.48Å; L74-L78 HydrophobicContact CG-CD1 4.19Å; L74-L78 HydrophobicContact CG-CG 4.49Å; L74-L78 WeakPolarHBondContact O-CB 2.92Å; L74-L78 WeakPolarHBondContact O-CG 3.42Å; L74-L78 PolarHBondContact O-N 2.98Å; T75-L78 PolarHBondContact O-N 3.12Å; L78-Y81 PolarHBondContact O-N 3.45Å; L78-S82 VanDerWaalsContact O-CB 3.29Å; L78-S82 WeakPolarHBondContact O-CB 3.47Å; L78-S82 PolarHBondContact O-N 2.96Å; L78-S82 PolarHBondContact O-OG 2.97Å; L78-F519 HydrophobicContact CD2-CE1 4.3Å; L78-F519 HydrophobicContact CD2-CZ 3.8Å; L78-F519 HydrophobicContact CG-CE1 4.18Å; L78-F519 HydrophobicContact CG-CZ 4.2Å
79T89.9Confident88.3Confident7 Ų718 Ų184%0.0439%0.094CC..Hα-helixtrans-64.3-43.2174.8-50.50000110.1L34 T75 I76 G77 Y81 S82 L83 L114 I118L34-T79 HydrophobicContact CD1-CG2 4.32Å; L34-T79 VanDerWaalsContact CD1-OG1 3.3Å; L34-T79 WeakPolarHBondContact CD1-OG1 3.44Å; T75-T79 WeakPolarHBondContact O-CB 3.4Å; T75-T79 PolarHBondContact O-N 3.15Å; T75-T79 PolarHBondContact O-OG1 2.9Å; I76-T79 PolarHBondContact O-N 3.05Å; G77-T79 VanDerWaalsContact C-N 3.34Å; G77-T79 PolarHBondContact O-N 3Å; T79-Y81 PolarHBondContact O-N 2.83Å; T79-S82 PolarHBondContact O-N 3.42Å; T79-L83 PolarHBondContact O-N 3.02Å; T79-L114 HydrophobicContact CG2-CD1 3.92Å; T79-I118 HydrophobicContact CG2-CD1 3.89Å; T79-I118 HydrophobicContact CG2-CG1 3.85Å
80S86.9Confident87.6Confident7 Ų716.8 Ų16.85%0.0499%0.088CC..Hα-helixtrans-61.5-42175.5179.40000112.6I76 G77 L83 S523I76-S80 WeakPolarHBondContact O-CB 3.43Å; I76-S80 PolarHBondContact O-N 3.46Å; G77-S80 WeakPolarHBondContact O-CB 3.5Å; G77-S80 PolarHBondContact O-N 3.22Å; S80-L83 WeakPolarHBondContact O-CB 3.3Å; S80-L83 PolarHBondContact O-N 3.36Å; S80-S523 PolarHBondContact OG-O 3.19Å
81Y88.7Confident86.9Confident13 Ų1317.4 Ų17.45%0.0519%0.091CC..Hα-helixtrans-68-37.8174.5-81.7-55.2000113.3G77 L78 T79 L83 P85 V484 F519 L522 S523 L526G77-Y81 VanDerWaalsContact O-CD2 3.3Å; G77-Y81 WeakPolarHBondContact O-CD2 3.49Å; G77-Y81 PolarHBondContact O-N 3.26Å; L78-Y81 PolarHBondContact O-N 3.45Å; T79-Y81 PolarHBondContact O-N 2.83Å; Y81-L83 VanDerWaalsContact C-N 3.27Å; Y81-L83 PolarHBondContact O-N 3.13Å; Y81-P85 VanDerWaalsContact O-CD 3.31Å; Y81-P85 WeakPolarHBondContact O-CD 3.06Å; Y81-V484 HydrophobicContact CD1-CG1 4.18Å; Y81-V484 HydrophobicContact CD1-CG2 3.79Å; Y81-V484 HydrophobicContact CE1-CG1 4.25Å; Y81-V484 HydrophobicContact CE1-CG2 4.08Å; Y81-F519 HydrophobicContact CD2-CD1 4.41Å; Y81-F519 AromaticContact CD2-CE1 3.6Å; Y81-F519 HydrophobicContact CD2-CE1 3.6Å; Y81-F519 AromaticContact CD2-CE2 3.82Å; Y81-F519 HydrophobicContact CD2-CE2 3.82Å; Y81-F519 AromaticContact CD2-CZ 3.25Å; Y81-F519 HydrophobicContact CD2-CZ 3.25Å; Y81-F519 AromaticContact CE2-CD1 3.99Å; Y81-F519 HydrophobicContact CE2-CD1 3.99Å; Y81-F519 AromaticContact CE2-CD2 3.78Å; Y81-F519 HydrophobicContact CE2-CD2 3.78Å; Y81-F519 AromaticContact CE2-CE1 3.59Å; Y81-F519 HydrophobicContact CE2-CE1 3.59Å; Y81-F519 AromaticContact CE2-CE2 3.35Å; Y81-F519 HydrophobicContact CE2-CE2 3.35Å; Y81-F519 HydrophobicContact CE2-CG 4.1Å; Y81-F519 AromaticContact CE2-CZ 3.25Å; Y81-F519 HydrophobicContact CE2-CZ 3.25Å; Y81-L522 WeakPolarHBondContact OH-CB 3.11Å; Y81-S523 VanDerWaalsContact CE2-CB 3.44Å; Y81-S523 VanDerWaalsContact CZ-CA 3.49Å; Y81-S523 PolarHBondContact OH-N 3.07Å; Y81-L526 HydrophobicContact CD1-CB 4.26Å; Y81-L526 HydrophobicContact CD1-CD2 3.68Å; Y81-L526 HydrophobicContact CD1-CG 4.45Å; Y81-L526 HydrophobicContact CE1-CB 4.16Å; Y81-L526 HydrophobicContact CE1-CD2 4.22Å
82S86.7Confident86.3Confident43 Ų4317.9 Ų17.930%0.3019%0.093SC..Hα-helixtrans-77.9-13.4-179.5-54.70000112.8L78 T79 L84 P85 F86L78-S82 VanDerWaalsContact O-CB 3.29Å; L78-S82 WeakPolarHBondContact O-CB 3.47Å; L78-S82 PolarHBondContact O-N 2.96Å; L78-S82 PolarHBondContact O-OG 2.97Å; T79-S82 PolarHBondContact O-N 3.42Å; S82-L84 PolarHBondContact O-N 3.34Å; S82-P85 VanDerWaalsContact O-CD 3.24Å; S82-P85 WeakPolarHBondContact O-CD 3.34Å; S82-P85 VanDerWaalsContact O-CG 3.25Å; S82-P85 WeakPolarHBondContact O-CG 3.47Å; S82-F86 WeakPolarHBondContact O-CB 3.27Å; S82-F86 PolarHBondContact O-N 2.79Å
83L84.2Confident85.7Confident10 Ų1017.7 Ų17.75%0.05210%0.095CC..Hα-helixtrans-59-50.8-176.7-175.469.7000112.1T79 S80 Y81 F86 T87 L114 I115 I118 L540T79-L83 PolarHBondContact O-N 3.02Å; S80-L83 WeakPolarHBondContact O-CB 3.3Å; S80-L83 PolarHBondContact O-N 3.36Å; Y81-L83 VanDerWaalsContact C-N 3.27Å; Y81-L83 PolarHBondContact O-N 3.13Å; L83-F86 WeakPolarHBondContact O-CB 3.45Å; L83-F86 PolarHBondContact O-N 3.33Å; L83-T87 WeakPolarHBondContact O-CG2 3.31Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 3.31Å; L83-L114 HydrophobicContact CD1-CB 4.48Å; L83-L114 HydrophobicContact CD1-CD2 3.54Å; L83-L114 HydrophobicContact CD1-CG 3.87Å; L83-I115 HydrophobicContact CD1-CG1 4.24Å; L83-I115 HydrophobicContact CD2-CG1 3.8Å; L83-I118 HydrophobicContact CB-CD1 4.21Å; L83-I118 HydrophobicContact CD1-CD1 3.86Å; L83-I118 HydrophobicContact CD2-CD1 3.94Å; L83-I118 HydrophobicContact CG-CD1 4.22Å; L83-L540 HydrophobicContact CD2-CD2 4.48Å
84L79.8Confident84.9Confident3 Ų318.8 Ų18.82%0.01610%0.1CC..Hα-helixtrans-62.1-50.7-180-70.1172.9000113.7S82 F86 T87 I88 V480 L526 T530S82-L84 PolarHBondContact O-N 3.34Å; L84-F86 PolarHBondContact O-N 2.92Å; L84-T87 PolarHBondContact O-N 3.3Å; L84-T87 PolarHBondContact O-OG1 2.89Å; L84-I88 WeakPolarHBondContact O-CD1 3.23Å; L84-I88 WeakPolarHBondContact O-CG1 3.43Å; L84-I88 PolarHBondContact O-N 3.48Å; L84-I88 VanDerWaalsContact O-N 3.15Å; L84-V480 HydrophobicContact CB-CG1 4.12Å; L84-V480 HydrophobicContact CD1-CG1 4.16Å; L84-L526 HydrophobicContact CD1-CD2 3.85Å; L84-L526 HydrophobicContact CD1-CG 3.99Å; L84-T530 HydrophobicContact CD1-CG2 3.75Å; L84-T530 WeakPolarHBondContact CD1-OG1 3.17Å
85P84.9Confident84Confident12 Ų1222 Ų228%0.07811%0.114CC..Hα-helixtrans-63.9-35175.824-32.5000111.2Y81 S82 I88 I89 V477Y81-P85 VanDerWaalsContact O-CD 3.31Å; Y81-P85 WeakPolarHBondContact O-CD 3.06Å; S82-P85 VanDerWaalsContact O-CD 3.24Å; S82-P85 WeakPolarHBondContact O-CD 3.34Å; S82-P85 VanDerWaalsContact O-CG 3.25Å; S82-P85 WeakPolarHBondContact O-CG 3.47Å; P85-I88 PolarHBondContact O-N 3.25Å; P85-I89 VanDerWaalsContact O-CB 3.26Å; P85-I89 WeakPolarHBondContact O-CB 3.37Å; P85-I89 WeakPolarHBondContact O-CD1 3.46Å; P85-I89 WeakPolarHBondContact O-CG1 3.28Å; P85-I89 PolarHBondContact O-N 2.95Å; P85-V477 HydrophobicContact CB-CG1 3.99Å
86F82.8Confident83.2Confident46 Ų4625.9 Ų25.920%0.20213%0.133CC..Hα-helixtrans-62.9-42.7176-178.9-101000112.6S82 L83 L84 T90 L106 I111 L114S82-F86 WeakPolarHBondContact O-CB 3.27Å; S82-F86 PolarHBondContact O-N 2.79Å; L83-F86 WeakPolarHBondContact O-CB 3.45Å; L83-F86 PolarHBondContact O-N 3.33Å; L84-F86 PolarHBondContact O-N 2.92Å; F86-T90 WeakPolarHBondContact O-CB 3.35Å; F86-T90 PolarHBondContact O-N 2.91Å; F86-T90 PolarHBondContact O-OG1 3.08Å; F86-L106 HydrophobicContact CE1-CD2 4.47Å; F86-L106 HydrophobicContact CE2-CD2 4.23Å; F86-L106 HydrophobicContact CZ-CD2 3.62Å; F86-I111 HydrophobicContact CE1-CG1 4.49Å; F86-L114 HydrophobicContact CD1-CD2 4.11Å; F86-L114 HydrophobicContact CE1-CD2 4.22Å
87T79.2Confident82.5Confident6 Ų631.3 Ų31.34%0.03716%0.157CC..Hα-helixtrans-66.7-40.9177.856.50000112.1L83 L84 N91 I111L83-T87 WeakPolarHBondContact O-CG2 3.31Å; L83-T87 PolarHBondContact O-N 2.85Å; L83-T87 PolarHBondContact O-OG1 3.31Å; L84-T87 PolarHBondContact O-N 3.3Å; L84-T87 PolarHBondContact O-OG1 2.89Å; T87-N91 WeakPolarHBondContact O-CB 2.96Å; T87-N91 PolarHBondContact O-N 3.06Å; T87-I111 HydrophobicContact CG2-CD1 3.83Å; T87-I111 HydrophobicContact CG2-CG1 4.28Å; T87-I111 HydrophobicContact CG2-CG2 3.58Å
88I78Confident81.7Confident1 Ų135 Ų351%0.00518%0.181CC..Hα-helixtrans-65.2-49.9177.3-61161.9000110.2L84 P85 T90 N91 E92 A473 Q476 V477 T536L84-I88 WeakPolarHBondContact O-CD1 3.23Å; L84-I88 WeakPolarHBondContact O-CG1 3.43Å; L84-I88 PolarHBondContact O-N 3.48Å; L84-I88 VanDerWaalsContact O-N 3.15Å; P85-I88 PolarHBondContact O-N 3.25Å; I88-T90 VanDerWaalsContact C-N 3.31Å; I88-T90 PolarHBondContact O-N 3.4Å; I88-N91 PolarHBondContact O-N 3.46Å; I88-E92 WeakPolarHBondContact O-CG 3.4Å; I88-E92 PolarHBondContact O-N 3.11Å; I88-E92 VanDerWaalsContact O-N 3.12Å; I88-A473 HydrophobicContact CG2-CB 3.94Å; I88-Q476 HydrophobicContact CD1-CG 3.86Å; I88-V477 HydrophobicContact CB-CG2 3.86Å; I88-V477 HydrophobicContact CD1-CG2 4.19Å; I88-V477 HydrophobicContact CG2-CG2 3.64Å; I88-T536 HydrophobicContact CD1-CG2 4.34Å
89I81.3Confident80.6Confident78 Ų7842.7 Ų42.740%0.421%0.213SC..Hα-helixtrans-59.9-44.7178.6-70.4166.8000110.3P85 N91 E92 I93 V477P85-I89 VanDerWaalsContact O-CB 3.26Å; P85-I89 WeakPolarHBondContact O-CB 3.37Å; P85-I89 WeakPolarHBondContact O-CD1 3.46Å; P85-I89 WeakPolarHBondContact O-CG1 3.28Å; P85-I89 PolarHBondContact O-N 2.95Å; I89-N91 PolarHBondContact O-N 3.5Å; I89-E92 PolarHBondContact O-N 2.84Å; I89-I93 HydrophobicContact CG2-CD1 3.41Å; I89-I93 VanDerWaalsContact CG2-CD1 3.41Å; I89-I93 HydrophobicContact CG2-CG1 4.04Å; I89-I93 WeakPolarHBondContact O-CB 3.16Å; I89-I93 VanDerWaalsContact O-CG1 3.24Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.32Å; I89-V477 HydrophobicContact CG1-CG2 4.14Å
90T77.9Confident80Confident2 Ų244.5 Ų44.51%0.01223%0.226CC..Hα-helixtrans-58.3-47.2177.6-69.50000111.7F86 I88 E92 I93 L94 L106 I111F86-T90 WeakPolarHBondContact O-CB 3.35Å; F86-T90 PolarHBondContact O-N 2.91Å; F86-T90 PolarHBondContact O-OG1 3.08Å; I88-T90 VanDerWaalsContact C-N 3.31Å; I88-T90 PolarHBondContact O-N 3.4Å; T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 PolarHBondContact O-N 3.17Å; T90-I93 PolarHBondContact O-N 2.69Å; T90-L94 WeakPolarHBondContact O-CB 3.46Å; T90-L94 PolarHBondContact O-N 3.48Å; T90-L106 HydrophobicContact CG2-CB 3.58Å; T90-L106 HydrophobicContact CG2-CD1 4.45Å; T90-L106 HydrophobicContact CG2-CD2 4.35Å; T90-L106 HydrophobicContact CG2-CG 4.35Å; T90-I111 HydrophobicContact CG2-CD1 4.02Å
91N78.4Confident79.1Confident13 Ų1349.8 Ų49.87%0.0725%0.246CC..Hα-helixtrans-59.8-41.7179.1-170.878.6000111.9T87 I88 I89 F95 L460 G461 K463 V465T87-N91 WeakPolarHBondContact O-CB 2.96Å; T87-N91 PolarHBondContact O-N 3.06Å; I88-N91 PolarHBondContact O-N 3.46Å; I89-N91 PolarHBondContact O-N 3.5Å; N91-F95 PolarHBondContact O-N 3.35Å; N91-L460 HydrophobicContact CB-CD2 4.09Å; N91-G461 PolarHBondContact OD1-N 2.95Å; N91-K463 PolarHBondContact ND2-O 3.37Å; N91-K463 VanDerWaalsContact ND2-O 3.08Å; N91-V465 HydrophobicContact CB-CG2 3.64Å; N91-V465 VanDerWaalsContact CG-CG2 3.5Å; N91-V465 WeakPolarHBondContact ND2-CG2 3.21Å
92E80.4Confident78.4Confident14 Ų1457.2 Ų57.27%0.06528%0.275CS..Hα-helixtrans-73.1-40.7179.8-63.9-58.6130.100112.7I88 I89 T90 L94 F95 I96 P464 V465 H470 A473I88-E92 WeakPolarHBondContact O-CG 3.4Å; I88-E92 PolarHBondContact O-N 3.11Å; I88-E92 VanDerWaalsContact O-N 3.12Å; I89-E92 PolarHBondContact O-N 2.84Å; T90-E92 VanDerWaalsContact C-N 3.29Å; T90-E92 PolarHBondContact O-N 3.17Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.86Å; E92-F95 PolarHBondContact O-N 3.09Å; E92-I96 VanDerWaalsContact O-CG1 3.25Å; E92-I96 WeakPolarHBondContact O-CG1 3.29Å; E92-I96 PolarHBondContact O-N 2.84Å; E92-P464 WeakPolarHBondContact OE1-CA 3.2Å; E92-V465 PolarHBondContact OE1-N 2.88Å; E92-H470 IonicContact OE2-CE1 3.8Å; E92-H470 PolarHBondContact OE2-CE1 2.94Å; E92-H470 IonicContact OE2-CG 3.18Å; E92-H470 IonicContact OE2-ND1 3.61Å; E92-H470 PolarHBondContact OE2-ND1 2.89Å; E92-A473 VanDerWaalsContact CD-CB 3.49Å; E92-A473 HydrophobicContact CG-CB 3.38Å
93I81.4Confident77.7Confident60 Ų6056.1 Ų56.131%0.30827%0.266SS..Hα-helixtrans-62-40.9176.3-67.1173.4000110.1I89 T90 F95 I96 F97 V103I89-I93 HydrophobicContact CG2-CD1 3.41Å; I89-I93 VanDerWaalsContact CG2-CD1 3.41Å; I89-I93 HydrophobicContact CG2-CG1 4.04Å; I89-I93 WeakPolarHBondContact O-CB 3.16Å; I89-I93 VanDerWaalsContact O-CG1 3.24Å; I89-I93 WeakPolarHBondContact O-CG1 3.36Å; I89-I93 PolarHBondContact O-N 3.32Å; T90-I93 PolarHBondContact O-N 2.69Å; I93-F95 VanDerWaalsContact C-N 3.29Å; I93-F95 PolarHBondContact O-N 2.83Å; I93-I96 PolarHBondContact O-N 3.26Å; I93-F97 HydrophobicContact CG2-CD2 4.49Å; I93-F97 PolarHBondContact O-N 3.44Å; I93-V103 HydrophobicContact CG2-CB 4.44Å; I93-V103 HydrophobicContact CG2-CG1 3.69Å; I93-V103 HydrophobicContact CG2-CG2 3.92Å
94L77.7Confident77.1Confident23 Ų2360 Ų6012%0.1228%0.284CS..Hα-helixtrans-63.9-35.8177.5-17061.2000112T90 E92 V103 L460T90-L94 WeakPolarHBondContact O-CB 3.46Å; T90-L94 PolarHBondContact O-N 3.48Å; E92-L94 VanDerWaalsContact C-N 3.29Å; E92-L94 PolarHBondContact O-N 2.86Å; L94-V103 HydrophobicContact CB-CG1 4.45Å; L94-V103 HydrophobicContact CD1-CG1 4.02Å; L94-L460 HydrophobicContact CD2-CB 4.04Å; L94-L460 WeakPolarHBondContact CD2-O 3.2Å
95F73.8Confident76.7Confident84 Ų8463 Ų6337%0.36830%0.295SS..Hα-helixtrans-71.5-40.4173.9-173.9-86.2000113N91 E92 I93 P98 H470N91-F95 PolarHBondContact O-N 3.35Å; E92-F95 PolarHBondContact O-N 3.09Å; I93-F95 VanDerWaalsContact C-N 3.29Å; I93-F95 PolarHBondContact O-N 2.83Å; F95-P98 WeakPolarHBondContact O-CD 3.2Å; F95-H470 AromaticContact CD1-CE1 3.47Å; F95-H470 VanDerWaalsContact CD1-CE1 3.47Å; F95-H470 WeakPolarHBondContact CD1-CE1 3.23Å; F95-H470 AromaticContact CD1-NE2 3.87Å
96I77.9Confident76.1Confident80 Ų8063.7 Ų63.741%0.4130%0.298SS..Hα-helixtrans-70.1-37.7-178.9-64.8165000111.2E92 I93 P98 H470E92-I96 VanDerWaalsContact O-CG1 3.25Å; E92-I96 WeakPolarHBondContact O-CG1 3.29Å; E92-I96 PolarHBondContact O-N 2.84Å; I93-I96 PolarHBondContact O-N 3.26Å; I96-P98 VanDerWaalsContact C-CD 3.43Å; I96-P98 WeakPolarHBondContact O-CD 3.4Å; I96-H470 WeakPolarHBondContact CG1-CE1 3.46Å
97F78.9Confident75.5Confident118 Ų11865 Ų6552%0.51831%0.307SS..  trans-124.563.6-174.6-62.5-72000113.1I93 K99 S100 V103I93-F97 HydrophobicContact CG2-CD2 4.49Å; I93-F97 PolarHBondContact O-N 3.44Å; F97-K99 PolarHBondContact O-N 2.66Å; F97-K99 VanDerWaalsContact O-N 3.11Å; F97-S100 PolarHBondContact O-N 2.89Å; F97-V103 HydrophobicContact CB-CB 4.45Å; F97-V103 HydrophobicContact CB-CG1 4.37Å; F97-V103 HydrophobicContact CB-CG2 4.07Å
98P73.6Confident75Confident77 Ų7765.2 Ų65.250%0.531%0.31SS..THydrogen-bonded Turntrans-65.4-22.4-176.126.9-34.9000113F95 I96 Q104F95-P98 WeakPolarHBondContact O-CD 3.2Å; I96-P98 VanDerWaalsContact C-CD 3.43Å; I96-P98 WeakPolarHBondContact O-CD 3.4Å; P98-Q104 PolarHBondContact O-NE2 2.98Å
99K69.8Low74.5Confident200 Ų20071.8 Ų71.887%0.8734%0.341SS*.THydrogen-bonded Turntrans-93.5-6.9-176.9-63.3-174.6179.3-179.20114.3F97F97-K99 PolarHBondContact O-N 2.66Å; F97-K99 VanDerWaalsContact O-N 3.11Å
100S77.2Confident74.3Confident44 Ų4468.7 Ų68.731%0.30833%0.325SS..  trans-83.7121.9-176.8-179.50000110.7F97 Y102 V103 Q104F97-S100 PolarHBondContact O-N 2.89Å; S100-Y102 VanDerWaalsContact C-N 3.3Å; S100-Y102 PolarHBondContact O-N 3.5Å; S100-V103 PolarHBondContact O-N 3.02Å; S100-V103 VanDerWaalsContact O-N 3.15Å; S100-Q104 PolarHBondContact O-N 3.33Å
101Y68.1Low74.1Confident119 Ų11968.8 Ų68.847%0.46733%0.326SS..THydrogen-bonded Turntrans-57.3-40.7-178.1179.5-101.5000113.1R22 W105R22-Y101 PolarHBondContact NH1-OH 3.29Å; R22-Y101 VanDerWaalsContact NH1-OH 3.16Å; R22-Y101 PolarHBondContact NH2-OH 3.48Å; Y101-W105 AromaticContact CD1-NE1 3.66Å; Y101-W105 AromaticContact CE1-CE2 3.99Å; Y101-W105 AromaticContact CE1-CZ2 3.96Å; Y101-W105 HydrophobicContact CE1-CZ2 3.96Å; Y101-W105 AromaticContact CE1-NE1 3.39Å; Y101-W105 AromaticContact CZ-NE1 3.93Å; Y101-W105 PolarHBondContact O-NE1 2.96Å
102Y74.4Confident73.6Confident169 Ų16971.1 Ų71.166%0.66334%0.336SS*.THydrogen-bonded Turntrans-72.2-30179.9-64.1-69.2000113S100 Q104 W105S100-Y102 VanDerWaalsContact C-N 3.3Å; S100-Y102 PolarHBondContact O-N 3.5Å; Y102-Q104 VanDerWaalsContact C-N 3.34Å; Y102-W105 HydrophobicContact CD1-CH2 4.35Å; Y102-W105 AromaticContact CD1-CZ2 3.97Å; Y102-W105 HydrophobicContact CD1-CZ2 3.97Å; Y102-W105 HydrophobicContact CE1-CH2 4.42Å; Y102-W105 HydrophobicContact CE1-CZ2 4.12Å; Y102-W105 VanDerWaalsContact O-CB 3.29Å; Y102-W105 WeakPolarHBondContact O-CB 3.02Å; Y102-W105 PolarHBondContact O-N 2.91Å
103V72.8Confident73.2Confident19 Ų1971.6 Ų71.612%0.11534%0.339CS..G310 helixtrans-73.4-32.8-179.9171.50000110.8I93 L94 F97 S100 W105 L106I93-V103 HydrophobicContact CG2-CB 4.44Å; I93-V103 HydrophobicContact CG2-CG1 3.69Å; I93-V103 HydrophobicContact CG2-CG2 3.92Å; L94-V103 HydrophobicContact CB-CG1 4.45Å; L94-V103 HydrophobicContact CD1-CG1 4.02Å; F97-V103 HydrophobicContact CB-CB 4.45Å; F97-V103 HydrophobicContact CB-CG1 4.37Å; F97-V103 HydrophobicContact CB-CG2 4.07Å; S100-V103 PolarHBondContact O-N 3.02Å; S100-V103 VanDerWaalsContact O-N 3.15Å; V103-W105 PolarHBondContact O-N 3.44Å; V103-W105 VanDerWaalsContact O-N 3.12Å; V103-L106 WeakPolarHBondContact O-CB 3.15Å; V103-L106 PolarHBondContact O-N 3.23Å
104Q70.1Confident73.1Confident91 Ų9169 Ų6943%0.42533%0.326SS..G310 helixtrans-66.8-5.9172.3-66.4177.2-1.800113.6P98 S100 Y102 N107P98-Q104 PolarHBondContact O-NE2 2.98Å; S100-Q104 PolarHBondContact O-N 3.33Å; Y102-Q104 VanDerWaalsContact C-N 3.34Å; Q104-N107 PolarHBondContact O-ND2 3.27Å; Q104-N107 PolarHBondContact O-OD1 3.41Å
105W71.2Confident72.9Confident66 Ų6668.5 Ų68.525%0.2532%0.323CS..G310 helixtrans-73.1-21.1170.8-65.417.4000111.4R22 V26 Y101 Y102 V103 N107R22-W105 HydrophobicContact CB-CD2 3.94Å; R22-W105 HydrophobicContact CB-CE3 3.73Å; R22-W105 HydrophobicContact CB-CH2 4.37Å; R22-W105 HydrophobicContact CB-CZ3 3.96Å; R22-W105 VanDerWaalsContact CD-CE2 3.41Å; R22-W105 HydrophobicContact CG-CD2 3.89Å; R22-W105 HydrophobicContact CG-CE3 3.85Å; R22-W105 HydrophobicContact CG-CH2 3.62Å; R22-W105 HydrophobicContact CG-CZ2 3.65Å; R22-W105 HydrophobicContact CG-CZ3 3.72Å; V26-W105 HydrophobicContact CG2-CE3 4.27Å; Y101-W105 AromaticContact CD1-NE1 3.66Å; Y101-W105 AromaticContact CE1-CE2 3.99Å; Y101-W105 AromaticContact CE1-CZ2 3.96Å; Y101-W105 HydrophobicContact CE1-CZ2 3.96Å; Y101-W105 AromaticContact CE1-NE1 3.39Å; Y101-W105 AromaticContact CZ-NE1 3.93Å; Y101-W105 PolarHBondContact O-NE1 2.96Å; Y102-W105 HydrophobicContact CD1-CH2 4.35Å; Y102-W105 AromaticContact CD1-CZ2 3.97Å; Y102-W105 HydrophobicContact CD1-CZ2 3.97Å; Y102-W105 HydrophobicContact CE1-CH2 4.42Å; Y102-W105 HydrophobicContact CE1-CZ2 4.12Å; Y102-W105 VanDerWaalsContact O-CB 3.29Å; Y102-W105 WeakPolarHBondContact O-CB 3.02Å; Y102-W105 PolarHBondContact O-N 2.91Å; V103-W105 PolarHBondContact O-N 3.44Å; V103-W105 VanDerWaalsContact O-N 3.12Å; W105-N107 VanDerWaalsContact C-N 3.34Å; W105-N107 PolarHBondContact O-N 2.84Å; W105-N107 VanDerWaalsContact O-N 3.1Å
106L73.7Confident72.9Confident28 Ų2866.2 Ų66.215%0.14732%0.315CS..SBendtrans-85.875.5178.8-65.7161.2000110.3F86 T90 V103 L110F86-L106 HydrophobicContact CE1-CD2 4.47Å; F86-L106 HydrophobicContact CE2-CD2 4.23Å; F86-L106 HydrophobicContact CZ-CD2 3.62Å; T90-L106 HydrophobicContact CG2-CB 3.58Å; T90-L106 HydrophobicContact CG2-CD1 4.45Å; T90-L106 HydrophobicContact CG2-CD2 4.35Å; T90-L106 HydrophobicContact CG2-CG 4.35Å; V103-L106 WeakPolarHBondContact O-CB 3.15Å; V103-L106 PolarHBondContact O-N 3.23Å; L106-L110 HydrophobicContact CD2-CD2 4.14Å
107N70.6Confident73Confident74 Ų7464.7 Ų64.740%0.39631%0.307SS..  trans-98168.9-178-68.6-32.2000113.2Q104 W105 E109 L110 I111Q104-N107 PolarHBondContact O-ND2 3.27Å; Q104-N107 PolarHBondContact O-OD1 3.41Å; W105-N107 VanDerWaalsContact C-N 3.34Å; W105-N107 PolarHBondContact O-N 2.84Å; W105-N107 VanDerWaalsContact O-N 3.1Å; N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact O-N 2.95Å; N107-L110 WeakPolarHBondContact O-CB 3.36Å; N107-L110 PolarHBondContact O-N 2.84Å; N107-I111 PolarHBondContact O-N 3.42Å
108G66.9Low73.2Confident10 Ų1059.5 Ų59.510%0.10328%0.284CS..Hα-helixtrans-60.1-36.1176.700000114I111 Q112G108-I111 PolarHBondContact O-N 2.82Å; G108-Q112 PolarHBondContact O-N 3.2Å; G108-Q112 VanDerWaalsContact O-N 3.09Å
109E69.5Low73.3Confident139 Ų13957.5 Ų57.565%0.6527%0.27SS*.Hα-helixtrans-63.2-42177.3-64.7177.4172.200111.7N107 I111 Q112 D113N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact O-N 2.95Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-I111 PolarHBondContact O-N 3.47Å; E109-Q112 WeakPolarHBondContact O-CB 3.3Å; E109-Q112 PolarHBondContact O-N 3.11Å; E109-Q112 VanDerWaalsContact O-N 3.15Å; E109-D113 PolarHBondContact O-N 2.92Å
110L75.2Confident73.8Confident13 Ų1350.9 Ų50.97%0.06824%0.243CC..Hα-helixtrans-59.5-41.6176.5-177.269.3000112V26 V27 L106 N107 Q112 D113 L114V26-L110 HydrophobicContact CB-CD2 4.41Å; V26-L110 HydrophobicContact CG1-CD2 4.05Å; V27-L110 HydrophobicContact CG2-CD1 3.76Å; L106-L110 HydrophobicContact CD2-CD2 4.14Å; N107-L110 WeakPolarHBondContact O-CB 3.36Å; N107-L110 PolarHBondContact O-N 2.84Å; L110-Q112 VanDerWaalsContact C-N 3.35Å; L110-D113 PolarHBondContact O-N 3.49Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 PolarHBondContact O-N 3.24Å
111I74.8Confident74.2Confident4 Ų449 Ų492%0.02123%0.23CC..Hα-helixtrans-67.7-39.6178.9-69.4176.3000110.4F86 T87 T90 N107 G108 E109 L114 I115 F458 L460F86-I111 HydrophobicContact CE1-CG1 4.49Å; T87-I111 HydrophobicContact CG2-CD1 3.83Å; T87-I111 HydrophobicContact CG2-CG1 4.28Å; T87-I111 HydrophobicContact CG2-CG2 3.58Å; T90-I111 HydrophobicContact CG2-CD1 4.02Å; N107-I111 PolarHBondContact O-N 3.42Å; G108-I111 PolarHBondContact O-N 2.82Å; E109-I111 VanDerWaalsContact C-N 3.31Å; E109-I111 PolarHBondContact O-N 3.47Å; I111-L114 PolarHBondContact O-N 2.91Å; I111-I115 HydrophobicContact CG2-CD1 3.9Å; I111-I115 WeakPolarHBondContact O-CD1 3.29Å; I111-I115 VanDerWaalsContact O-CG1 3.27Å; I111-I115 WeakPolarHBondContact O-CG1 3.45Å; I111-I115 PolarHBondContact O-N 2.9Å; I111-F458 HydrophobicContact CB-CE1 4.35Å; I111-F458 HydrophobicContact CG2-CE1 4.39Å; I111-L460 HydrophobicContact CD1-CD1 3.36Å; I111-L460 HydrophobicContact CD1-CD2 4.39Å; I111-L460 HydrophobicContact CG1-CD1 4.36Å
112Q67.6Low75Confident62 Ų6243.5 Ų43.529%0.2921%0.209SC..Hα-helixtrans-62.9-43.5174.8-177.2173.3-12.500111.7G108 E109 L110 L114 I115 L116G108-Q112 PolarHBondContact O-N 3.2Å; G108-Q112 VanDerWaalsContact O-N 3.09Å; E109-Q112 WeakPolarHBondContact O-CB 3.3Å; E109-Q112 PolarHBondContact O-N 3.11Å; E109-Q112 VanDerWaalsContact O-N 3.15Å; L110-Q112 VanDerWaalsContact C-N 3.35Å; Q112-L114 VanDerWaalsContact C-N 3.35Å; Q112-L114 PolarHBondContact O-N 3.41Å; Q112-I115 PolarHBondContact O-N 2.87Å; Q112-L116 WeakPolarHBondContact O-CB 3.5Å; Q112-L116 PolarHBondContact O-N 3.16Å
113D71.4Confident75.4Confident24 Ų2438 Ų3813%0.12819%0.189CC..Hα-helixtrans-64.1-39.3175.6-73.8-19.1000111.7E109 L110 L116 L117 S589E109-D113 PolarHBondContact O-N 2.92Å; L110-D113 PolarHBondContact O-N 3.49Å; D113-L116 WeakPolarHBondContact O-CB 3.46Å; D113-L116 PolarHBondContact O-N 2.83Å; D113-L117 WeakPolarHBondContact O-CB 3.3Å; D113-L117 PolarHBondContact O-N 2.87Å; D113-S589 PolarHBondContact OD1-OG 2.84Å
114L79.4Confident76.2Confident5 Ų540.7 Ų40.73%0.02620%0.202CC..Hα-helixtrans-64.3-42.2175.7-175.663000111.8L30 T79 L83 F86 L110 I111 Q112 L116 L117 I118L30-L114 HydrophobicContact CD2-CD1 4.15Å; L30-L114 HydrophobicContact CD2-CD2 4.07Å; T79-L114 HydrophobicContact CG2-CD1 3.92Å; L83-L114 HydrophobicContact CD1-CB 4.48Å; L83-L114 HydrophobicContact CD1-CD2 3.54Å; L83-L114 HydrophobicContact CD1-CG 3.87Å; F86-L114 HydrophobicContact CD1-CD2 4.11Å; F86-L114 HydrophobicContact CE1-CD2 4.22Å; L110-L114 WeakPolarHBondContact O-CB 3.43Å; L110-L114 PolarHBondContact O-N 3.24Å; I111-L114 PolarHBondContact O-N 2.91Å; Q112-L114 VanDerWaalsContact C-N 3.35Å; Q112-L114 PolarHBondContact O-N 3.41Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L117 PolarHBondContact O-N 3.33Å; L114-I118 HydrophobicContact CG-CD1 4.13Å; L114-I118 WeakPolarHBondContact O-CD1 3.39Å; L114-I118 VanDerWaalsContact O-CG1 3.24Å; L114-I118 WeakPolarHBondContact O-CG1 3.18Å; L114-I118 PolarHBondContact O-N 3.45Å
115I74.9Confident77.1Confident13 Ų1336.4 Ų36.47%0.06718%0.182CC..Hα-helixtrans-60.8-44.6173.8-70.9157.8000110.6L83 I111 Q112 I118 N119 L540L83-I115 HydrophobicContact CD1-CG1 4.24Å; L83-I115 HydrophobicContact CD2-CG1 3.8Å; I111-I115 HydrophobicContact CG2-CD1 3.9Å; I111-I115 WeakPolarHBondContact O-CD1 3.29Å; I111-I115 VanDerWaalsContact O-CG1 3.27Å; I111-I115 WeakPolarHBondContact O-CG1 3.45Å; I111-I115 PolarHBondContact O-N 2.9Å; Q112-I115 PolarHBondContact O-N 2.87Å; I115-I118 PolarHBondContact O-N 3.39Å; I115-N119 WeakPolarHBondContact CG2-ND2 3.33Å; I115-N119 WeakPolarHBondContact O-CB 3.33Å; I115-N119 PolarHBondContact O-N 3.38Å; I115-N119 PolarHBondContact O-ND2 2.99Å; I115-L540 HydrophobicContact CD1-CD2 3.46Å; I115-L540 VanDerWaalsContact CD1-CD2 3.46Å; I115-L540 HydrophobicContact CD1-CG 3.93Å; I115-L540 HydrophobicContact CG1-CD2 3.99Å
116L73.3Confident77.9Confident36 Ų3633.9 Ų33.919%0.18817%0.172CC..Hα-helixtrans-61.4-45.4177.7178.762.2000111.1Q112 D113 L114 I118 N119 I120 P543 W591 I595Q112-L116 WeakPolarHBondContact O-CB 3.5Å; Q112-L116 PolarHBondContact O-N 3.16Å; D113-L116 WeakPolarHBondContact O-CB 3.46Å; D113-L116 PolarHBondContact O-N 2.83Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L116-I118 PolarHBondContact O-N 2.9Å; L116-N119 PolarHBondContact O-N 3.18Å; L116-I120 HydrophobicContact CD1-CD1 3.96Å; L116-I120 HydrophobicContact CD1-CG1 4.33Å; L116-I120 HydrophobicContact CG-CD1 3.89Å; L116-I120 WeakPolarHBondContact O-CG1 3.43Å; L116-I120 PolarHBondContact O-N 3.18Å; L116-P543 HydrophobicContact CD1-CB 4.45Å; L116-W591 HydrophobicContact CD2-CB 4.35Å; L116-I595 HydrophobicContact CD1-CD1 4.49Å; L116-I595 HydrophobicContact CD2-CD1 3.73Å; L116-I595 HydrophobicContact CG-CD1 4.31Å
117L80.4Confident78.6Confident47 Ų4735.1 Ų35.125%0.24618%0.179CC..Hα-helixtrans-61-44.4177.1-179.263.9000112V27 D113 L114 N119 I120 G121V27-L117 HydrophobicContact CG1-CD2 3.49Å; V27-L117 VanDerWaalsContact CG1-CD2 3.49Å; D113-L117 WeakPolarHBondContact O-CB 3.3Å; D113-L117 PolarHBondContact O-N 2.87Å; L114-L117 PolarHBondContact O-N 3.33Å; L117-N119 VanDerWaalsContact C-N 3.33Å; L117-N119 PolarHBondContact O-N 2.9Å; L117-I120 PolarHBondContact O-N 3.18Å; L117-G121 PolarHBondContact O-N 3.12Å
118I82.8Confident79.4Confident9 Ų932.9 Ų32.95%0.04617%0.169CC..Hα-helixtrans-61.1-44.2175.8-67.9160.8000110.1T79 L83 L114 I115 L116 G121 C122T79-I118 HydrophobicContact CG2-CD1 3.89Å; T79-I118 HydrophobicContact CG2-CG1 3.85Å; L83-I118 HydrophobicContact CB-CD1 4.21Å; L83-I118 HydrophobicContact CD1-CD1 3.86Å; L83-I118 HydrophobicContact CD2-CD1 3.94Å; L83-I118 HydrophobicContact CG-CD1 4.22Å; L114-I118 HydrophobicContact CG-CD1 4.13Å; L114-I118 WeakPolarHBondContact O-CD1 3.39Å; L114-I118 VanDerWaalsContact O-CG1 3.24Å; L114-I118 WeakPolarHBondContact O-CG1 3.18Å; L114-I118 PolarHBondContact O-N 3.45Å; I115-I118 PolarHBondContact O-N 3.39Å; L116-I118 PolarHBondContact O-N 2.9Å; I118-G121 PolarHBondContact O-N 3.38Å; I118-C122 WeakPolarHBondContact O-CB 3.11Å; I118-C122 PolarHBondContact O-N 3.42Å; I118-C122 PolarHBondContact O-SG 3.46Å
119N76.4Confident80.5Confident36 Ų3633.1 Ų33.119%0.19317%0.168CC..Hα-helixtrans-63.4-44.3179.2-79.4-52.4000112.5I115 L116 L117 C122 K123 Q255I115-N119 WeakPolarHBondContact CG2-ND2 3.33Å; I115-N119 WeakPolarHBondContact O-CB 3.33Å; I115-N119 PolarHBondContact O-N 3.38Å; I115-N119 PolarHBondContact O-ND2 2.99Å; L116-N119 PolarHBondContact O-N 3.18Å; L117-N119 VanDerWaalsContact C-N 3.33Å; L117-N119 PolarHBondContact O-N 2.9Å; N119-C122 PolarHBondContact O-N 2.93Å; N119-K123 WeakPolarHBondContact O-CG 3.43Å; N119-K123 PolarHBondContact O-N 3.36Å; N119-K123 VanDerWaalsContact O-N 3.09Å; N119-Q255 PolarHBondContact OD1-NE2 2.87Å
120I79.8Confident81.4Confident61 Ų6127.5 Ų27.531%0.31314%0.143SC..Hα-helixtrans-63.2-46.2174.8-67.3167.8000110L116 L117 C122 K123 I124 I595L116-I120 HydrophobicContact CD1-CD1 3.96Å; L116-I120 HydrophobicContact CD1-CG1 4.33Å; L116-I120 HydrophobicContact CG-CD1 3.89Å; L116-I120 WeakPolarHBondContact O-CG1 3.43Å; L116-I120 PolarHBondContact O-N 3.18Å; L117-I120 PolarHBondContact O-N 3.18Å; I120-C122 VanDerWaalsContact C-N 3.34Å; I120-C122 PolarHBondContact O-N 3.37Å; I120-K123 PolarHBondContact O-N 2.85Å; I120-I124 HydrophobicContact CG2-CD1 3.8Å; I120-I124 HydrophobicContact CG2-CG1 4.46Å; I120-I124 WeakPolarHBondContact O-CG1 3.36Å; I120-I124 PolarHBondContact O-N 3.48Å; I120-I595 HydrophobicContact CD1-CD1 3.8Å
121G84.5Confident82.1Confident3 Ų328.1 Ų28.13%0.03115%0.145CC..Hα-helixtrans-61.2-38.4178.100000113.2L117 I118 I124 S125L117-G121 PolarHBondContact O-N 3.12Å; I118-G121 PolarHBondContact O-N 3.38Å; G121-I124 PolarHBondContact O-N 2.83Å; G121-S125 VanDerWaalsContact O-CB 3.31Å; G121-S125 WeakPolarHBondContact O-CB 3.31Å; G121-S125 PolarHBondContact O-N 3.37Å; G121-S125 PolarHBondContact O-OG 3.4Å
122C86.2Confident82.8Confident4 Ų427.9 Ų27.93%0.02714%0.144CC..Hα-helixtrans-63.5-47.6173.8-76.30000111I118 N119 I120 I124 S125 Y126I118-C122 WeakPolarHBondContact O-CB 3.11Å; I118-C122 PolarHBondContact O-N 3.42Å; I118-C122 PolarHBondContact O-SG 3.46Å; N119-C122 PolarHBondContact O-N 2.93Å; I120-C122 VanDerWaalsContact C-N 3.34Å; I120-C122 PolarHBondContact O-N 3.37Å; C122-I124 VanDerWaalsContact C-N 3.34Å; C122-I124 PolarHBondContact O-N 2.65Å; C122-S125 WeakPolarHBondContact O-CB 3.39Å; C122-S125 PolarHBondContact O-N 3.26Å; C122-S125 VanDerWaalsContact O-N 3.12Å; C122-Y126 HydrophobicContact CB-CE2 4.26Å; C122-Y126 WeakPolarHBondContact O-CD2 3.24Å; C122-Y126 PolarHBondContact O-N 3Å
123K82.8Confident83.9Confident53 Ų5330.9 Ų30.923%0.2315%0.154CC..Hα-helixtrans-59.2-43.7176.7-71.3178.5-179.8-171.90111.8N119 I120 S125 Y126 L127 L251N119-K123 WeakPolarHBondContact O-CG 3.43Å; N119-K123 PolarHBondContact O-N 3.36Å; N119-K123 VanDerWaalsContact O-N 3.09Å; I120-K123 PolarHBondContact O-N 2.85Å; K123-S125 VanDerWaalsContact C-N 3.33Å; K123-S125 PolarHBondContact O-N 3.44Å; K123-Y126 PolarHBondContact O-N 3.41Å; K123-L127 PolarHBondContact O-N 2.88Å; K123-L127 VanDerWaalsContact O-N 3.15Å; K123-L251 HydrophobicContact CB-CD1 4.5Å
124I88.2Confident84.8Confident77 Ų7732 Ų3240%0.39516%0.157SC..Hα-helixtrans-63.8-40.1175-67.1169.5000111F72 I120 G121 C122 L127 S128F72-I124 HydrophobicContact CE1-CG2 4.06Å; I120-I124 HydrophobicContact CG2-CD1 3.8Å; I120-I124 HydrophobicContact CG2-CG1 4.46Å; I120-I124 WeakPolarHBondContact O-CG1 3.36Å; I120-I124 PolarHBondContact O-N 3.48Å; G121-I124 PolarHBondContact O-N 2.83Å; C122-I124 VanDerWaalsContact C-N 3.34Å; C122-I124 PolarHBondContact O-N 2.65Å; I124-L127 WeakPolarHBondContact O-CB 3.39Å; I124-L127 PolarHBondContact O-N 2.88Å; I124-S128 WeakPolarHBondContact O-CB 3.47Å; I124-S128 PolarHBondContact O-N 3.25Å; I124-S128 PolarHBondContact O-OG 3.45Å
125S90.6Very high85.2Confident0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-65.8-45.4179-60.40000111.6G121 C122 K123 L127 S128 I129G121-S125 VanDerWaalsContact O-CB 3.31Å; G121-S125 WeakPolarHBondContact O-CB 3.31Å; G121-S125 PolarHBondContact O-N 3.37Å; G121-S125 PolarHBondContact O-OG 3.4Å; C122-S125 WeakPolarHBondContact O-CB 3.39Å; C122-S125 PolarHBondContact O-N 3.26Å; C122-S125 VanDerWaalsContact O-N 3.12Å; K123-S125 VanDerWaalsContact C-N 3.33Å; K123-S125 PolarHBondContact O-N 3.44Å; S125-L127 PolarHBondContact O-N 3.3Å; S125-S128 PolarHBondContact O-N 3.03Å; S125-I129 VanDerWaalsContact O-CG1 3.23Å; S125-I129 WeakPolarHBondContact O-CG1 3.16Å; S125-I129 PolarHBondContact O-N 3.29Å
126Y87.3Confident85.6Confident13 Ų1332.1 Ų32.15%0.05116%0.158CC..Hα-helixtrans-61.7-30.3175.2-71.6-57.9000113C122 K123 P130 Y163 I254 Q255 A258 L517 L520 M521C122-Y126 HydrophobicContact CB-CE2 4.26Å; C122-Y126 WeakPolarHBondContact O-CD2 3.24Å; C122-Y126 PolarHBondContact O-N 3Å; K123-Y126 PolarHBondContact O-N 3.41Å; Y126-P130 WeakPolarHBondContact O-CD 3.41Å; Y126-Y163 PolarHBondContact O-OH 3.47Å; Y126-Y163 VanDerWaalsContact O-OH 3.08Å; Y126-I254 HydrophobicContact CD1-CG2 4.16Å; Y126-I254 HydrophobicContact CG-CG2 4.03Å; Y126-Q255 HydrophobicContact CD2-CB 4.45Å; Y126-Q255 HydrophobicContact CE2-CB 4.22Å; Y126-Q255 HydrophobicContact CE2-CG 4.27Å; Y126-A258 HydrophobicContact CE1-CB 3.91Å; Y126-A258 HydrophobicContact CE2-CB 4.34Å; Y126-A258 VanDerWaalsContact OH-CB 3.28Å; Y126-A258 WeakPolarHBondContact OH-CB 3.3Å; Y126-L517 HydrophobicContact CD1-CD1 4.42Å; Y126-L517 HydrophobicContact CE1-CD1 4.19Å; Y126-L520 HydrophobicContact CD1-CD2 4.16Å; Y126-L520 HydrophobicContact CE1-CD2 3.73Å; Y126-L520 HydrophobicContact CE1-CG 4.44Å; Y126-L520 HydrophobicContact CE2-CD2 4.22Å; Y126-M521 HydrophobicContact CE1-SD 4.09Å
127L87.6Confident86.1Confident55 Ų5534.3 Ų34.329%0.28817%0.17SC..Hα-helixtrans-72-39.1171.1-174.863.5000112.6K123 I124 S125 P130 Y163 F247 L251K123-L127 PolarHBondContact O-N 2.88Å; K123-L127 VanDerWaalsContact O-N 3.15Å; I124-L127 WeakPolarHBondContact O-CB 3.39Å; I124-L127 PolarHBondContact O-N 2.88Å; S125-L127 PolarHBondContact O-N 3.3Å; L127-P130 WeakPolarHBondContact O-CD 3.23Å; L127-P130 WeakPolarHBondContact O-CG 3.41Å; L127-Y163 WeakPolarHBondContact CA-OH 3.35Å; L127-Y163 HydrophobicContact CD1-CD2 4.3Å; L127-Y163 HydrophobicContact CD1-CE2 3.49Å; L127-Y163 VanDerWaalsContact CD1-CE2 3.49Å; L127-F247 HydrophobicContact CD1-CE2 4.04Å; L127-F247 HydrophobicContact CD1-CZ 3.79Å; L127-F247 HydrophobicContact CD2-CZ 3.87Å; L127-F247 HydrophobicContact CG-CZ 4.44Å; L127-L251 HydrophobicContact CB-CD2 4.46Å
128S87.8Confident86.1Confident27 Ų2732.4 Ų32.419%0.18916%0.161CC..Hα-helixtrans-82.5-22.7-172.6-56.40000114I124 S125 F131 S132I124-S128 WeakPolarHBondContact O-CB 3.47Å; I124-S128 PolarHBondContact O-N 3.25Å; I124-S128 PolarHBondContact O-OG 3.45Å; S125-S128 PolarHBondContact O-N 3.03Å; S128-F131 WeakPolarHBondContact O-CB 3.33Å; S128-S132 WeakPolarHBondContact O-CB 3.47Å; S128-S132 PolarHBondContact O-N 3.21Å; S128-S132 PolarHBondContact O-OG 2.84Å
129I90Very high85.4Confident14 Ų1441 Ų417%0.07220%0.201CC..Hα-helixtrans-65.7-53178.2-70.9164.7000113.1T73 S125 F131 S132 Y133 L513 L517 L520T73-I129 HydrophobicContact CG2-CD1 4.23Å; S125-I129 VanDerWaalsContact O-CG1 3.23Å; S125-I129 WeakPolarHBondContact O-CG1 3.16Å; S125-I129 PolarHBondContact O-N 3.29Å; I129-F131 PolarHBondContact O-N 3.43Å; I129-S132 WeakPolarHBondContact O-CB 3.39Å; I129-S132 PolarHBondContact O-N 2.95Å; I129-S132 VanDerWaalsContact O-N 3.07Å; I129-Y133 PolarHBondContact O-N 2.88Å; I129-L513 HydrophobicContact CG1-CD1 4.49Å; I129-L513 HydrophobicContact CG2-CD1 4.31Å; I129-L513 HydrophobicContact CG2-CG 4.47Å; I129-L517 HydrophobicContact CD1-CB 4.23Å; I129-L517 HydrophobicContact CD1-CD1 3.63Å; I129-L517 HydrophobicContact CG2-CD1 4.42Å; I129-L517 HydrophobicContact CG2-CD2 4.46Å; I129-L520 HydrophobicContact CD1-CD2 4.15Å
130P88.2Confident84.9Confident22 Ų2240.1 Ų40.114%0.14320%0.201CC..Hα-helixtrans-62.4-36.617623.4-31.7000110.8Y126 L127 S132 Y133 F134 Y163Y126-P130 WeakPolarHBondContact O-CD 3.41Å; L127-P130 WeakPolarHBondContact O-CD 3.23Å; L127-P130 WeakPolarHBondContact O-CG 3.41Å; P130-S132 VanDerWaalsContact C-N 3.32Å; P130-S132 PolarHBondContact O-N 3.04Å; P130-Y133 PolarHBondContact O-N 2.91Å; P130-F134 HydrophobicContact CB-CE2 4.47Å; P130-F134 WeakPolarHBondContact O-CD2 3.19Å; P130-F134 PolarHBondContact O-N 3.32Å; P130-Y163 HydrophobicContact CG-CE2 4.22Å; P130-Y163 WeakPolarHBondContact CG-OH 3.3Å
131F90.2Very high84.2Confident25 Ų2543 Ų4311%0.1121%0.211CC..Hα-helixtrans-57.5-44.2172174.7-99.9000112.3I69 S128 I129 F134 L135 L152 F156 V159I69-F131 HydrophobicContact CD1-CD1 3.81Å; I69-F131 HydrophobicContact CD1-CE1 3.98Å; S128-F131 WeakPolarHBondContact O-CB 3.33Å; I129-F131 PolarHBondContact O-N 3.43Å; F131-F134 PolarHBondContact O-N 3.45Å; F131-L135 HydrophobicContact CE1-CD2 3.99Å; F131-L135 HydrophobicContact CZ-CD2 4.22Å; F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 PolarHBondContact O-N 2.87Å; F131-L152 HydrophobicContact CE2-CD2 4.5Å; F131-L152 HydrophobicContact CZ-CD2 3.74Å; F131-F156 HydrophobicContact CD2-CD1 4.12Å; F131-F156 HydrophobicContact CD2-CE1 4.08Å; F131-F156 HydrophobicContact CD2-CG 4.43Å; F131-F156 HydrophobicContact CD2-CZ 4.37Å; F131-F156 AromaticContact CE2-CD1 3.95Å; F131-F156 HydrophobicContact CE2-CD1 3.95Å; F131-F156 AromaticContact CE2-CD2 3.83Å; F131-F156 HydrophobicContact CE2-CD2 3.83Å; F131-F156 AromaticContact CE2-CE1 3.8Å; F131-F156 HydrophobicContact CE2-CE1 3.8Å; F131-F156 AromaticContact CE2-CE2 3.67Å; F131-F156 HydrophobicContact CE2-CE2 3.67Å; F131-F156 AromaticContact CE2-CG 3.95Å; F131-F156 HydrophobicContact CE2-CG 3.95Å; F131-F156 AromaticContact CE2-CZ 3.65Å; F131-F156 HydrophobicContact CE2-CZ 3.65Å; F131-F156 HydrophobicContact CZ-CE1 4.42Å; F131-F156 AromaticContact CZ-CE2 3.96Å; F131-F156 HydrophobicContact CZ-CE2 3.96Å; F131-F156 AromaticContact CZ-CZ 3.9Å; F131-F156 HydrophobicContact CZ-CZ 3.9Å; F131-V159 VanDerWaalsContact CA-CG2 3.43Å; F131-V159 HydrophobicContact CB-CG2 3.85Å; F131-V159 HydrophobicContact CD2-CG2 4.24Å
132S89.9Confident83.2Confident0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-61.7-44.7176.6-63.40000112.2I69 S128 I129 P130 L135 L136I69-S132 VanDerWaalsContact CD1-OG 3.29Å; I69-S132 WeakPolarHBondContact CD1-OG 3.48Å; I69-S132 VanDerWaalsContact CG2-OG 3.28Å; I69-S132 WeakPolarHBondContact CG2-OG 2.96Å; S128-S132 WeakPolarHBondContact O-CB 3.47Å; S128-S132 PolarHBondContact O-N 3.21Å; S128-S132 PolarHBondContact O-OG 2.84Å; I129-S132 WeakPolarHBondContact O-CB 3.39Å; I129-S132 PolarHBondContact O-N 2.95Å; I129-S132 VanDerWaalsContact O-N 3.07Å; P130-S132 VanDerWaalsContact C-N 3.32Å; P130-S132 PolarHBondContact O-N 3.04Å; S132-L135 PolarHBondContact O-N 3.4Å; S132-L136 WeakPolarHBondContact O-CG 3.17Å; S132-L136 PolarHBondContact O-N 2.81Å
133Y90.1Very high81.8Confident125 Ų12559 Ų5949%0.4928%0.281SS..Hα-helixtrans-61.6-48177.5178.4-99000112.1I129 P130 L135 L136 N137I129-Y133 PolarHBondContact O-N 2.88Å; P130-Y133 PolarHBondContact O-N 2.91Å; Y133-L135 VanDerWaalsContact C-N 3.28Å; Y133-L135 PolarHBondContact O-N 2.97Å; Y133-L136 PolarHBondContact O-N 3.33Å; Y133-N137 WeakPolarHBondContact CE2-ND2 3.34Å; Y133-N137 PolarHBondContact O-N 2.72Å; Y133-N137 VanDerWaalsContact O-N 3.16Å; Y133-N137 PolarHBondContact O-ND2 3.47Å; Y133-N137 PolarHBondContact OH-ND2 3.37Å
134F90.1Very high80.8Confident46 Ų4664 Ų6420%0.20230%0.303CS..Hα-helixtrans-67.8-29.5175.3-70.4-62.1000112.2P130 F131 N137 S138 S155 M158 V159 F162P130-F134 HydrophobicContact CB-CE2 4.47Å; P130-F134 WeakPolarHBondContact O-CD2 3.19Å; P130-F134 PolarHBondContact O-N 3.32Å; F131-F134 PolarHBondContact O-N 3.45Å; F134-N137 PolarHBondContact O-N 3.24Å; F134-S138 WeakPolarHBondContact O-CA 3.34Å; F134-S138 WeakPolarHBondContact O-CB 3.42Å; F134-S138 PolarHBondContact O-N 3.38Å; F134-S138 PolarHBondContact O-OG 2.85Å; F134-S155 PolarHBondContact O-OG 3.29Å; F134-S155 VanDerWaalsContact O-OG 3.12Å; F134-M158 HydrophobicContact CB-CB 4.43Å; F134-M158 HydrophobicContact CD1-CB 3.84Å; F134-M158 HydrophobicContact CD1-CG 4.41Å; F134-M158 HydrophobicContact CD2-CB 4.2Å; F134-M158 HydrophobicContact CE1-CB 4.09Å; F134-M158 HydrophobicContact CE2-CB 4.43Å; F134-M158 HydrophobicContact CG-CB 3.91Å; F134-M158 HydrophobicContact CZ-CB 4.38Å; F134-V159 HydrophobicContact CD2-CG2 3.64Å; F134-V159 HydrophobicContact CE2-CG2 4.33Å; F134-F162 HydrophobicContact CE2-CB 4.25Å; F134-F162 HydrophobicContact CE2-CG 4.49Å; F134-F162 HydrophobicContact CZ-CB 4.5Å
135L87.7Confident79.4Confident0 Ų063.6 Ų63.60%031%0.305CS..Hα-helixtrans-66.6-38.6174.3-170.161.5000110.7A62 L65 V66 F131 S132 Y133 S138 R151 L152 S155A62-L135 HydrophobicContact CB-CG 4.41Å; L65-L135 HydrophobicContact CB-CD2 4.22Å; V66-L135 HydrophobicContact CG2-CB 4.15Å; V66-L135 HydrophobicContact CG2-CD2 3.8Å; V66-L135 HydrophobicContact CG2-CG 4.15Å; F131-L135 HydrophobicContact CE1-CD2 3.99Å; F131-L135 HydrophobicContact CZ-CD2 4.22Å; F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 PolarHBondContact O-N 2.87Å; S132-L135 PolarHBondContact O-N 3.4Å; Y133-L135 VanDerWaalsContact C-N 3.28Å; Y133-L135 PolarHBondContact O-N 2.97Å; L135-S138 PolarHBondContact O-OG 3.34Å; L135-R151 HydrophobicContact CD1-CG 4.08Å; L135-R151 PolarHBondContact O-NE 2.96Å; L135-R151 PolarHBondContact O-NH2 3.45Å; L135-L152 HydrophobicContact CD1-CD2 3.86Å; L135-L152 HydrophobicContact CD2-CD2 4.35Å; L135-S155 WeakPolarHBondContact CA-OG 3.5Å; L135-S155 PolarHBondContact N-OG 3.45Å
136L84.1Confident78Confident21 Ų2169.8 Ų69.811%0.1133%0.333CS..Hα-helixtrans-67.4-39.6175.4-66.1166.9000112.9V66 S132 Y133 R151 L509 D510V66-L136 HydrophobicContact CB-CD2 4.25Å; V66-L136 HydrophobicContact CG1-CD1 4.15Å; V66-L136 HydrophobicContact CG1-CD2 4.35Å; V66-L136 HydrophobicContact CG1-CG 4.3Å; V66-L136 HydrophobicContact CG2-CD2 3.96Å; V66-L136 HydrophobicContact CG2-CG 4.03Å; S132-L136 WeakPolarHBondContact O-CG 3.17Å; S132-L136 PolarHBondContact O-N 2.81Å; Y133-L136 PolarHBondContact O-N 3.33Å; L136-R151 PolarHBondContact O-NH2 2.71Å; L136-L509 HydrophobicContact CD1-CD2 3.39Å; L136-L509 HydrophobicContact CD2-CD1 4.21Å; L136-L509 HydrophobicContact CD2-CD2 3.9Å; L136-L509 HydrophobicContact CD2-CG 4.49Å; L136-L509 HydrophobicContact CG-CD2 4.2Å; L136-D510 WeakPolarHBondContact CD1-OD1 3.4Å
137N83.3Confident77.1Confident82 Ų8271.4 Ų71.444%0.43935%0.347SS..Hα-helixtrans-92-6.1-174.7-70.7-33.8000115.4Y133 F134 Q139Y133-N137 WeakPolarHBondContact CE2-ND2 3.34Å; Y133-N137 PolarHBondContact O-N 2.72Å; Y133-N137 VanDerWaalsContact O-N 3.16Å; Y133-N137 PolarHBondContact O-ND2 3.47Å; Y133-N137 PolarHBondContact OH-ND2 3.37Å; F134-N137 PolarHBondContact O-N 3.24Å; N137-Q139 PolarHBondContact O-N 3.24Å
138S81.6Confident76.8Confident7 Ų770.7 Ų70.75%0.04934%0.343CS..  trans-73.4127-175.443.20000112.7F134 L135 R151 S155F134-S138 WeakPolarHBondContact O-CA 3.34Å; F134-S138 WeakPolarHBondContact O-CB 3.42Å; F134-S138 PolarHBondContact O-N 3.38Å; F134-S138 PolarHBondContact O-OG 2.85Å; L135-S138 PolarHBondContact O-OG 3.34Å; S138-R151 WeakPolarHBondContact OG-CG 3.32Å; S138-R151 PolarHBondContact OG-NE 3.33Å; S138-S155 PolarHBondContact OG-OG 2.89Å
139Q68.2Low76.5Confident190 Ų19073.6 Ų73.689%0.88836%0.36SS*.  trans-98.2-2173.2-65.8-175.6-8.300113.2N137N137-Q139 PolarHBondContact O-N 3.24Å
140G65.8Low76Confident18 Ų1874.3 Ų74.319%0.18637%0.365CS..  trans72.9141.7-178.700000112.9L142G140-L142 VanDerWaalsContact C-N 3.35Å; G140-L142 PolarHBondContact O-N 3.26Å
141F63.2Low75.7Confident120 Ų12074.8 Ų74.853%0.52636%0.364SS..SBendtrans-69.9-28.8-176.8-73.9-68000114.2Y154 T157 M158F141-Y154 AromaticContact CD1-CD2 3.82Å; F141-Y154 HydrophobicContact CD1-CD2 3.82Å; F141-Y154 HydrophobicContact CD1-CE2 4.07Å; F141-Y154 AromaticContact CD2-CD2 3.59Å; F141-Y154 HydrophobicContact CD2-CD2 3.59Å; F141-Y154 HydrophobicContact CD2-CG 4.26Å; F141-Y154 AromaticContact CE1-CD2 3.64Å; F141-Y154 HydrophobicContact CE1-CD2 3.64Å; F141-Y154 AromaticContact CE1-CE2 3.68Å; F141-Y154 HydrophobicContact CE1-CE2 3.68Å; F141-Y154 AromaticContact CE2-CD2 3.41Å; F141-Y154 HydrophobicContact CE2-CD2 3.41Å; F141-Y154 VanDerWaalsContact CE2-CD2 3.41Å; F141-Y154 HydrophobicContact CE2-CE2 4.22Å; F141-Y154 HydrophobicContact CE2-CG 4.01Å; F141-Y154 AromaticContact CG-CD2 3.79Å; F141-Y154 HydrophobicContact CG-CD2 3.79Å; F141-Y154 HydrophobicContact CG-CE2 4.49Å; F141-Y154 AromaticContact CZ-CD2 3.43Å; F141-Y154 HydrophobicContact CZ-CD2 3.43Å; F141-Y154 VanDerWaalsContact CZ-CD2 3.43Å; F141-Y154 AromaticContact CZ-CE2 3.76Å; F141-Y154 HydrophobicContact CZ-CE2 3.76Å; F141-Y154 HydrophobicContact CZ-CG 4.31Å; F141-T157 HydrophobicContact CE2-CG2 4.32Å; F141-T157 HydrophobicContact CZ-CG2 4.37Å; F141-M158 HydrophobicContact CE1-CE 4.49Å; F141-M158 HydrophobicContact CZ-CE 4.19Å
142L63.8Low75.6Confident139 Ų13975.4 Ų75.473%0.72837%0.369SS*.SBendtrans-120.5125.2179.9-70.3166.9000107.8G140 K144G140-L142 VanDerWaalsContact C-N 3.35Å; G140-L142 PolarHBondContact O-N 3.26Å; L142-K144 PolarHBondContact O-N 3.2Å
143Y57.7Low75.4Confident206 Ų20679.9 Ų79.981%0.80839%0.391SS*.  trans-6682.4179-168.8-95.7000110.1P145Y143-P145 HydrophobicContact CD1-CG 4.5Å; Y143-P145 HydrophobicContact CE1-CB 4.39Å; Y143-P145 HydrophobicContact CE1-CG 3.99Å
144K62.3Low75.3Confident158 Ų15876.7 Ų76.769%0.68738%0.379SS*.  trans-114.796.2159-85.8-171.8176.2-1800106.5L142 H146L142-K144 PolarHBondContact O-N 3.2Å; K144-H146 PolarHBondContact O-N 3.31Å
145P57.8Low75.2Confident67 Ų6774.5 Ų74.544%0.43537%0.369SS..THydrogen-bonded Turntrans-66.16-166.523.1-32.5000115.5Y143Y143-P145 HydrophobicContact CD1-CG 4.5Å; Y143-P145 HydrophobicContact CE1-CB 4.39Å; Y143-P145 HydrophobicContact CE1-CG 3.99Å
146H60.8Low75.3Confident130 Ų13080.4 Ų80.460%0.60240%0.395SS*.THydrogen-bonded Turntrans-131.2-6-165.4-58.9-41.3000116.1Y56 K144Y56-H146 AromaticContact CD1-CE1 3.89Å; Y56-H146 AromaticContact CD1-ND1 3.82Å; Y56-H146 AromaticContact CE1-CE1 3.77Å; K144-H146 PolarHBondContact O-N 3.31Å
147S69.8Low75.4Confident48 Ų4881.4 Ų81.434%0.33640%0.402SS..  trans-110.3138.4-176.353.20000113.1P150S147-P150 VanDerWaalsContact O-CD 3.29Å; S147-P150 WeakPolarHBondContact O-CD 3.43Å; S147-P150 WeakPolarHBondContact O-CG 3.13Å; S147-P150 WeakPolarHBondContact OG-CD 3.32Å; S147-P150 VanDerWaalsContact OG-CG 3.24Å; S147-P150 WeakPolarHBondContact OG-CG 3.44Å
148L79.6Confident75.6Confident40 Ų4080.1 Ų80.121%0.20939%0.394CS..Hα-helixtrans-67.2-36.4174.2-174.496.4000112.2L61 A62 L65 R151 L152L61-L148 HydrophobicContact CB-CD1 3.66Å; A62-L148 HydrophobicContact CB-CD1 4.41Å; L65-L148 HydrophobicContact CD1-CD1 4.13Å; L65-L148 HydrophobicContact CD1-CD2 4.19Å; L148-R151 VanDerWaalsContact O-CB 3.3Å; L148-R151 WeakPolarHBondContact O-CB 3.48Å; L148-R151 PolarHBondContact O-N 2.89Å; L148-R151 VanDerWaalsContact O-N 3.12Å; L148-L152 HydrophobicContact CD2-CD1 3.46Å; L148-L152 VanDerWaalsContact CD2-CD1 3.46Å; L148-L152 HydrophobicContact CD2-CG 4.07Å; L148-L152 HydrophobicContact CG-CD1 3.96Å; L148-L152 HydrophobicContact CG-CG 4.05Å; L148-L152 PolarHBondContact O-N 2.91Å
149T81.4Confident75.9Confident88 Ų8880.3 Ų80.354%0.5440%0.395SS..Hα-helixtrans-55.2-50.2-173.5-43.20000115.1R151 L152 I153T149-R151 PolarHBondContact O-N 2.94Å; T149-L152 PolarHBondContact O-N 3.01Å; T149-I153 HydrophobicContact CG2-CD1 3.95Å; T149-I153 HydrophobicContact CG2-CG1 4.49Å; T149-I153 WeakPolarHBondContact O-CG1 3.5Å; T149-I153 PolarHBondContact O-N 3.32Å
150P81Confident76.8Confident29 Ų2976 Ų7619%0.18838%0.378CS..Hα-helixtrans-63.7-29.7178.926.1-36.5000112.6S147 Y154S147-P150 VanDerWaalsContact O-CD 3.29Å; S147-P150 WeakPolarHBondContact O-CD 3.43Å; S147-P150 WeakPolarHBondContact O-CG 3.13Å; S147-P150 WeakPolarHBondContact OG-CD 3.32Å; S147-P150 VanDerWaalsContact OG-CG 3.24Å; S147-P150 WeakPolarHBondContact OG-CG 3.44Å; P150-Y154 WeakPolarHBondContact O-CB 3.38Å; P150-Y154 PolarHBondContact O-N 3.46Å
151R82.3Confident77.8Confident32 Ų3281 Ų8112%0.12139%0.394CS..Hα-helixtrans-69.6-47.5176.5-166-179.9174.9156.30.5110.8L135 L136 S138 L148 T149 Y154 S155L135-R151 HydrophobicContact CD1-CG 4.08Å; L135-R151 PolarHBondContact O-NE 2.96Å; L135-R151 PolarHBondContact O-NH2 3.45Å; L136-R151 PolarHBondContact O-NH2 2.71Å; S138-R151 WeakPolarHBondContact OG-CG 3.32Å; S138-R151 PolarHBondContact OG-NE 3.33Å; L148-R151 VanDerWaalsContact O-CB 3.3Å; L148-R151 WeakPolarHBondContact O-CB 3.48Å; L148-R151 PolarHBondContact O-N 2.89Å; L148-R151 VanDerWaalsContact O-N 3.12Å; T149-R151 PolarHBondContact O-N 2.94Å; R151-Y154 PolarHBondContact O-N 3.3Å; R151-S155 PolarHBondContact O-N 3.41Å; R151-S155 PolarHBondContact O-OG 3.44Å; R151-S155 VanDerWaalsContact O-OG 3.04Å
152L86.5Confident78.9Confident38 Ų3879.6 Ų79.620%0.19939%0.388CS..Hα-helixtrans-59-48174.3-72.3175.7000112.1L65 F131 L135 L148 T149 Y154 S155 F156L65-L152 HydrophobicContact CD1-CD2 4.4Å; F131-L152 HydrophobicContact CE2-CD2 4.5Å; F131-L152 HydrophobicContact CZ-CD2 3.74Å; L135-L152 HydrophobicContact CD1-CD2 3.86Å; L135-L152 HydrophobicContact CD2-CD2 4.35Å; L148-L152 HydrophobicContact CD2-CD1 3.46Å; L148-L152 VanDerWaalsContact CD2-CD1 3.46Å; L148-L152 HydrophobicContact CD2-CG 4.07Å; L148-L152 HydrophobicContact CG-CD1 3.96Å; L148-L152 HydrophobicContact CG-CG 4.05Å; L148-L152 PolarHBondContact O-N 2.91Å; T149-L152 PolarHBondContact O-N 3.01Å; L152-Y154 VanDerWaalsContact C-N 3.32Å; L152-Y154 PolarHBondContact O-N 3.29Å; L152-S155 PolarHBondContact O-N 2.94Å; L152-F156 HydrophobicContact CB-CD2 4.4Å; L152-F156 HydrophobicContact CB-CE2 4.43Å; L152-F156 WeakPolarHBondContact O-CD2 3.32Å; L152-F156 PolarHBondContact O-N 3.25Å
153I86.4Confident79.7Confident93 Ų9374.4 Ų74.448%0.47736%0.359SS..Hα-helixtrans-58.4-47.9178.9-67.9168.8000109.8T149 S155 F156 T157T149-I153 HydrophobicContact CG2-CD1 3.95Å; T149-I153 HydrophobicContact CG2-CG1 4.49Å; T149-I153 WeakPolarHBondContact O-CG1 3.5Å; T149-I153 PolarHBondContact O-N 3.32Å; I153-S155 VanDerWaalsContact C-N 3.33Å; I153-S155 PolarHBondContact O-N 3.33Å; I153-F156 PolarHBondContact O-N 3.46Å; I153-T157 WeakPolarHBondContact O-CB 3.5Å; I153-T157 PolarHBondContact O-N 3.21Å; I153-T157 PolarHBondContact O-OG1 3.41Å
154Y87.8Confident80.9Confident59 Ų5968.6 Ų68.623%0.23134%0.341CS..Hα-helixtrans-56.1-47.4176.1-178.7-81.1000112F141 P150 R151 L152 T157 M158F141-Y154 AromaticContact CD1-CD2 3.82Å; F141-Y154 HydrophobicContact CD1-CD2 3.82Å; F141-Y154 HydrophobicContact CD1-CE2 4.07Å; F141-Y154 AromaticContact CD2-CD2 3.59Å; F141-Y154 HydrophobicContact CD2-CD2 3.59Å; F141-Y154 HydrophobicContact CD2-CG 4.26Å; F141-Y154 AromaticContact CE1-CD2 3.64Å; F141-Y154 HydrophobicContact CE1-CD2 3.64Å; F141-Y154 AromaticContact CE1-CE2 3.68Å; F141-Y154 HydrophobicContact CE1-CE2 3.68Å; F141-Y154 AromaticContact CE2-CD2 3.41Å; F141-Y154 HydrophobicContact CE2-CD2 3.41Å; F141-Y154 VanDerWaalsContact CE2-CD2 3.41Å; F141-Y154 HydrophobicContact CE2-CE2 4.22Å; F141-Y154 HydrophobicContact CE2-CG 4.01Å; F141-Y154 AromaticContact CG-CD2 3.79Å; F141-Y154 HydrophobicContact CG-CD2 3.79Å; F141-Y154 HydrophobicContact CG-CE2 4.49Å; F141-Y154 AromaticContact CZ-CD2 3.43Å; F141-Y154 HydrophobicContact CZ-CD2 3.43Å; F141-Y154 VanDerWaalsContact CZ-CD2 3.43Å; F141-Y154 AromaticContact CZ-CE2 3.76Å; F141-Y154 HydrophobicContact CZ-CE2 3.76Å; F141-Y154 HydrophobicContact CZ-CG 4.31Å; P150-Y154 WeakPolarHBondContact O-CB 3.38Å; P150-Y154 PolarHBondContact O-N 3.46Å; R151-Y154 PolarHBondContact O-N 3.3Å; L152-Y154 VanDerWaalsContact C-N 3.32Å; L152-Y154 PolarHBondContact O-N 3.29Å; Y154-T157 PolarHBondContact O-N 3.39Å; Y154-M158 HydrophobicContact CD1-CG 3.97Å; Y154-M158 HydrophobicContact CE1-CE 4.15Å; Y154-M158 HydrophobicContact CE1-CG 3.62Å; Y154-M158 HydrophobicContact CE2-CE 3.67Å; Y154-M158 VanDerWaalsContact CZ-CE 3.47Å; Y154-M158 WeakPolarHBondContact O-CG 3.47Å; Y154-M158 PolarHBondContact O-N 3.35Å; Y154-M158 WeakPolarHBondContact OH-CE 3.19Å
155S88.6Confident82Confident0 Ų066.6 Ų66.60%034%0.338CS..Hα-helixtrans-63.8-45.4179.5-58.30000112.4F134 L135 S138 R151 L152 I153 T157 M158 V159F134-S155 PolarHBondContact O-OG 3.29Å; F134-S155 VanDerWaalsContact O-OG 3.12Å; L135-S155 WeakPolarHBondContact CA-OG 3.5Å; L135-S155 PolarHBondContact N-OG 3.45Å; S138-S155 PolarHBondContact OG-OG 2.89Å; R151-S155 PolarHBondContact O-N 3.41Å; R151-S155 PolarHBondContact O-OG 3.44Å; R151-S155 VanDerWaalsContact O-OG 3.04Å; L152-S155 PolarHBondContact O-N 2.94Å; I153-S155 VanDerWaalsContact C-N 3.33Å; I153-S155 PolarHBondContact O-N 3.33Å; S155-T157 VanDerWaalsContact C-N 3.35Å; S155-T157 PolarHBondContact O-N 3.41Å; S155-M158 PolarHBondContact O-N 3.41Å; S155-V159 WeakPolarHBondContact O-CB 3.44Å; S155-V159 WeakPolarHBondContact O-CG2 3.39Å; S155-V159 PolarHBondContact O-N 2.9Å
156F88.5Confident83Confident124 Ų12465.9 Ų65.954%0.54433%0.333SS..Hα-helixtrans-60.5-43.8175.6-82.3-65.3000112F131 L152 I153 V159 L160F131-F156 HydrophobicContact CD2-CD1 4.12Å; F131-F156 HydrophobicContact CD2-CE1 4.08Å; F131-F156 HydrophobicContact CD2-CG 4.43Å; F131-F156 HydrophobicContact CD2-CZ 4.37Å; F131-F156 AromaticContact CE2-CD1 3.95Å; F131-F156 HydrophobicContact CE2-CD1 3.95Å; F131-F156 AromaticContact CE2-CD2 3.83Å; F131-F156 HydrophobicContact CE2-CD2 3.83Å; F131-F156 AromaticContact CE2-CE1 3.8Å; F131-F156 HydrophobicContact CE2-CE1 3.8Å; F131-F156 AromaticContact CE2-CE2 3.67Å; F131-F156 HydrophobicContact CE2-CE2 3.67Å; F131-F156 AromaticContact CE2-CG 3.95Å; F131-F156 HydrophobicContact CE2-CG 3.95Å; F131-F156 AromaticContact CE2-CZ 3.65Å; F131-F156 HydrophobicContact CE2-CZ 3.65Å; F131-F156 HydrophobicContact CZ-CE1 4.42Å; F131-F156 AromaticContact CZ-CE2 3.96Å; F131-F156 HydrophobicContact CZ-CE2 3.96Å; F131-F156 AromaticContact CZ-CZ 3.9Å; F131-F156 HydrophobicContact CZ-CZ 3.9Å; L152-F156 HydrophobicContact CB-CD2 4.4Å; L152-F156 HydrophobicContact CB-CE2 4.43Å; L152-F156 WeakPolarHBondContact O-CD2 3.32Å; L152-F156 PolarHBondContact O-N 3.25Å; I153-F156 PolarHBondContact O-N 3.46Å; F156-V159 PolarHBondContact O-N 3.16Å; F156-L160 WeakPolarHBondContact O-CB 3.23Å; F156-L160 PolarHBondContact O-N 3.47Å
157T86.9Confident83.7Confident42 Ų4262.8 Ų62.826%0.25832%0.318SS..Hα-helixtrans-61.4-46.7176.7-60.20000111.3F141 I153 Y154 S155 V159 L160 F161F141-T157 HydrophobicContact CE2-CG2 4.32Å; F141-T157 HydrophobicContact CZ-CG2 4.37Å; I153-T157 WeakPolarHBondContact O-CB 3.5Å; I153-T157 PolarHBondContact O-N 3.21Å; I153-T157 PolarHBondContact O-OG1 3.41Å; Y154-T157 PolarHBondContact O-N 3.39Å; S155-T157 VanDerWaalsContact C-N 3.35Å; S155-T157 PolarHBondContact O-N 3.41Å; T157-V159 PolarHBondContact O-N 3.13Å; T157-L160 PolarHBondContact O-N 3.49Å; T157-F161 HydrophobicContact CG2-CD2 3.68Å; T157-F161 HydrophobicContact CG2-CE2 3.47Å; T157-F161 VanDerWaalsContact CG2-CE2 3.47Å; T157-F161 WeakPolarHBondContact O-CD2 3.39Å; T157-F161 PolarHBondContact O-N 3.47Å
158M88.6Confident83.9Confident55 Ų5562.3 Ų62.327%0.27132%0.321SS..Hα-helixtrans-63.8-39.5178.2-72.5-59.6172.800112.8F134 F141 Y154 S155 F161 F162F134-M158 HydrophobicContact CB-CB 4.43Å; F134-M158 HydrophobicContact CD1-CB 3.84Å; F134-M158 HydrophobicContact CD1-CG 4.41Å; F134-M158 HydrophobicContact CD2-CB 4.2Å; F134-M158 HydrophobicContact CE1-CB 4.09Å; F134-M158 HydrophobicContact CE2-CB 4.43Å; F134-M158 HydrophobicContact CG-CB 3.91Å; F134-M158 HydrophobicContact CZ-CB 4.38Å; F141-M158 HydrophobicContact CE1-CE 4.49Å; F141-M158 HydrophobicContact CZ-CE 4.19Å; Y154-M158 HydrophobicContact CD1-CG 3.97Å; Y154-M158 HydrophobicContact CE1-CE 4.15Å; Y154-M158 HydrophobicContact CE1-CG 3.62Å; Y154-M158 HydrophobicContact CE2-CE 3.67Å; Y154-M158 VanDerWaalsContact CZ-CE 3.47Å; Y154-M158 WeakPolarHBondContact O-CG 3.47Å; Y154-M158 PolarHBondContact O-N 3.35Å; Y154-M158 WeakPolarHBondContact OH-CE 3.19Å; S155-M158 PolarHBondContact O-N 3.41Å; M158-F161 PolarHBondContact O-N 3.4Å; M158-F162 WeakPolarHBondContact O-CB 3.38Å; M158-F162 PolarHBondContact O-N 3.28Å
159V88.1Confident83.7Confident11 Ų1164.6 Ų64.67%0.06734%0.337CS..Hα-helixtrans-63.3-45.7174.9172.70000111.2F131 F134 S155 F156 T157 F161 F162 Y163F131-V159 VanDerWaalsContact CA-CG2 3.43Å; F131-V159 HydrophobicContact CB-CG2 3.85Å; F131-V159 HydrophobicContact CD2-CG2 4.24Å; F134-V159 HydrophobicContact CD2-CG2 3.64Å; F134-V159 HydrophobicContact CE2-CG2 4.33Å; S155-V159 WeakPolarHBondContact O-CB 3.44Å; S155-V159 WeakPolarHBondContact O-CG2 3.39Å; S155-V159 PolarHBondContact O-N 2.9Å; F156-V159 PolarHBondContact O-N 3.16Å; T157-V159 PolarHBondContact O-N 3.13Å; V159-F161 PolarHBondContact O-N 3.37Å; V159-F162 WeakPolarHBondContact O-CB 3.07Å; V159-F162 PolarHBondContact O-N 3.26Å; V159-Y163 HydrophobicContact CG1-CD2 3.57Å; V159-Y163 HydrophobicContact CG1-CE2 3.42Å; V159-Y163 VanDerWaalsContact CG1-CE2 3.42Å; V159-Y163 WeakPolarHBondContact O-CD2 3.17Å; V159-Y163 PolarHBondContact O-N 3.12Å
160L85.6Confident83.2Confident100 Ų10062.4 Ų62.452%0.52433%0.325SS..Hα-helixtrans-59-47.2177.4-178.367.6000111.2F156 T157 F162 Y163 I164F156-L160 WeakPolarHBondContact O-CB 3.23Å; F156-L160 PolarHBondContact O-N 3.47Å; T157-L160 PolarHBondContact O-N 3.49Å; L160-F162 VanDerWaalsContact C-N 3.35Å; L160-F162 PolarHBondContact O-N 2.98Å; L160-Y163 PolarHBondContact O-N 3.18Å; L160-I164 HydrophobicContact CD1-CD1 4.28Å; L160-I164 HydrophobicContact CG-CD1 3.98Å; L160-I164 VanDerWaalsContact O-CG1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.41Å
161F87.7Confident82.5Confident121 Ų12166.9 Ų66.953%0.53134%0.338SS..Hα-helixtrans-61.1-42.7175.2-82.5-65.2000112.3T157 M158 V159 Y163 I164 L165T157-F161 HydrophobicContact CG2-CD2 3.68Å; T157-F161 HydrophobicContact CG2-CE2 3.47Å; T157-F161 VanDerWaalsContact CG2-CE2 3.47Å; T157-F161 WeakPolarHBondContact O-CD2 3.39Å; T157-F161 PolarHBondContact O-N 3.47Å; M158-F161 PolarHBondContact O-N 3.4Å; V159-F161 PolarHBondContact O-N 3.37Å; F161-Y163 PolarHBondContact O-N 2.87Å; F161-I164 PolarHBondContact O-N 2.9Å; F161-L165 WeakPolarHBondContact O-CB 3.43Å; F161-L165 VanDerWaalsContact O-CG 3.31Å; F161-L165 WeakPolarHBondContact O-CG 3.23Å; F161-L165 PolarHBondContact O-N 2.99Å
162F86.5Confident82.1Confident92 Ų9268.7 Ų68.740%0.40436%0.356SS..Hα-helixtrans-58.3-48176.9177.7-99.4000111.6F134 M158 V159 L160 I164 L165 C166F134-F162 HydrophobicContact CE2-CB 4.25Å; F134-F162 HydrophobicContact CE2-CG 4.49Å; F134-F162 HydrophobicContact CZ-CB 4.5Å; M158-F162 WeakPolarHBondContact O-CB 3.38Å; M158-F162 PolarHBondContact O-N 3.28Å; V159-F162 WeakPolarHBondContact O-CB 3.07Å; V159-F162 PolarHBondContact O-N 3.26Å; L160-F162 VanDerWaalsContact C-N 3.35Å; L160-F162 PolarHBondContact O-N 2.98Å; F162-I164 PolarHBondContact O-N 3.04Å; F162-L165 PolarHBondContact O-N 2.86Å; F162-C166 WeakPolarHBondContact O-CB 3.23Å; F162-C166 PolarHBondContact O-N 3.44Å; F162-C166 PolarHBondContact O-SG 3.31Å; F162-C166 VanDerWaalsContact O-SG 3.34Å
163Y80.7Confident81.4Confident30 Ų3072.1 Ų72.112%0.11837%0.374CS..Hα-helixtrans-65.3-38.5177.3-79.4-68.7000113.1Y126 L127 P130 V159 L160 F161 L165 C166 F167 I254Y126-Y163 PolarHBondContact O-OH 3.47Å; Y126-Y163 VanDerWaalsContact O-OH 3.08Å; L127-Y163 WeakPolarHBondContact CA-OH 3.35Å; L127-Y163 HydrophobicContact CD1-CD2 4.3Å; L127-Y163 HydrophobicContact CD1-CE2 3.49Å; L127-Y163 VanDerWaalsContact CD1-CE2 3.49Å; P130-Y163 HydrophobicContact CG-CE2 4.22Å; P130-Y163 WeakPolarHBondContact CG-OH 3.3Å; V159-Y163 HydrophobicContact CG1-CD2 3.57Å; V159-Y163 HydrophobicContact CG1-CE2 3.42Å; V159-Y163 VanDerWaalsContact CG1-CE2 3.42Å; V159-Y163 WeakPolarHBondContact O-CD2 3.17Å; V159-Y163 PolarHBondContact O-N 3.12Å; L160-Y163 PolarHBondContact O-N 3.18Å; F161-Y163 PolarHBondContact O-N 2.87Å; Y163-L165 VanDerWaalsContact C-N 3.35Å; Y163-C166 PolarHBondContact O-N 3.15Å; Y163-F167 VanDerWaalsContact O-CB 3.25Å; Y163-F167 WeakPolarHBondContact O-CB 3.29Å; Y163-F167 PolarHBondContact O-N 2.96Å; Y163-I254 HydrophobicContact CD1-CD1 4.5Å; Y163-I254 HydrophobicContact CE1-CD1 3.78Å
164I82.4Confident80.3Confident84 Ų8471.9 Ų71.943%0.43138%0.377SS..Hα-helixtrans-63-42.2175-68.7167.1000110.8L160 F161 F162 F167 G168L160-I164 HydrophobicContact CD1-CD1 4.28Å; L160-I164 HydrophobicContact CG-CD1 3.98Å; L160-I164 VanDerWaalsContact O-CG1 3.28Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.41Å; F161-I164 PolarHBondContact O-N 2.9Å; F162-I164 PolarHBondContact O-N 3.04Å; I164-F167 PolarHBondContact O-N 3.44Å; I164-G168 PolarHBondContact O-N 3.23Å
165L85.4Confident79.1Confident116 Ų11671.8 Ų71.861%0.60739%0.385SS*.Hα-helixtrans-66.3-45.3176.8-72.5172.1000111.9F161 F162 Y163 F167 G168 T169F161-L165 WeakPolarHBondContact O-CB 3.43Å; F161-L165 VanDerWaalsContact O-CG 3.31Å; F161-L165 WeakPolarHBondContact O-CG 3.23Å; F161-L165 PolarHBondContact O-N 2.99Å; F162-L165 PolarHBondContact O-N 2.86Å; Y163-L165 VanDerWaalsContact C-N 3.35Å; L165-F167 VanDerWaalsContact C-N 3.3Å; L165-F167 PolarHBondContact O-N 2.84Å; L165-G168 PolarHBondContact O-N 3.11Å; L165-T169 WeakPolarHBondContact O-CB 3.26Å; L165-T169 VanDerWaalsContact O-CG2 3.32Å; L165-T169 WeakPolarHBondContact O-CG2 3.17Å; L165-T169 PolarHBondContact O-N 2.87Å; L165-T169 PolarHBondContact O-OG1 3.06Å
166C79.5Confident78.3Confident51 Ų5178 Ų7835%0.34541%0.412SS..Hα-helixtrans-60.1-42.5174.5-71.50000111.4F162 Y163 T169 S170F162-C166 WeakPolarHBondContact O-CB 3.23Å; F162-C166 PolarHBondContact O-N 3.44Å; F162-C166 PolarHBondContact O-SG 3.31Å; F162-C166 VanDerWaalsContact O-SG 3.34Å; Y163-C166 PolarHBondContact O-N 3.15Å; C166-T169 WeakPolarHBondContact CA-OG1 3.24Å; C166-T169 PolarHBondContact O-OG1 3.24Å; C166-S170 VanDerWaalsContact O-CB 3.27Å; C166-S170 WeakPolarHBondContact O-CB 3.47Å; C166-S170 PolarHBondContact O-N 3.42Å; C166-S170 PolarHBondContact O-OG 3.29Å
167F73.8Confident77.2Confident66 Ų6675.9 Ų75.929%0.28941%0.409SS..Hα-helixtrans-63.6-50.9175.8179.5-105000111.4Y163 I164 L165 T169 S170 W171 I246Y163-F167 VanDerWaalsContact O-CB 3.25Å; Y163-F167 WeakPolarHBondContact O-CB 3.29Å; Y163-F167 PolarHBondContact O-N 2.96Å; I164-F167 PolarHBondContact O-N 3.44Å; L165-F167 VanDerWaalsContact C-N 3.3Å; L165-F167 PolarHBondContact O-N 2.84Å; F167-T169 VanDerWaalsContact C-N 3.34Å; F167-T169 PolarHBondContact O-N 3.22Å; F167-S170 PolarHBondContact O-N 3.44Å; F167-S170 PolarHBondContact O-OG 2.89Å; F167-W171 HydrophobicContact CE2-CE3 4.44Å; F167-W171 AromaticContact CZ-CE3 3.99Å; F167-W171 HydrophobicContact CZ-CE3 3.99Å; F167-W171 WeakPolarHBondContact O-CB 3.35Å; F167-W171 PolarHBondContact O-N 2.73Å; F167-I246 HydrophobicContact CD1-CG2 4.47Å; F167-I246 HydrophobicContact CD2-CG2 3.57Å; F167-I246 HydrophobicContact CE1-CD1 4.5Å; F167-I246 HydrophobicContact CE1-CG2 4.22Å; F167-I246 HydrophobicContact CE2-CB 4.31Å; F167-I246 HydrophobicContact CE2-CG1 4.23Å; F167-I246 HydrophobicContact CE2-CG2 3.28Å; F167-I246 HydrophobicContact CG-CG2 4.17Å; F167-I246 HydrophobicContact CZ-CB 4.49Å; F167-I246 HydrophobicContact CZ-CD1 3.95Å; F167-I246 HydrophobicContact CZ-CG1 4.08Å; F167-I246 HydrophobicContact CZ-CG2 3.63Å
168G74.6Confident76Confident38 Ų3875.8 Ų75.839%0.39241%0.41SS..Hα-helixtrans-59-42.1179.600000113.1I164 L165 S172I164-G168 PolarHBondContact O-N 3.23Å; L165-G168 PolarHBondContact O-N 3.11Å; G168-S172 WeakPolarHBondContact O-CB 3.24Å; G168-S172 PolarHBondContact O-N 3.26Å; G168-S172 PolarHBondContact O-OG 3.44Å
169T76Confident74.8Confident87 Ų8775.2 Ų75.253%0.53441%0.414SS..Hα-helixtrans-68.3-42.3176.351.50000112.3L165 C166 F167 W171 S172 L173L165-T169 WeakPolarHBondContact O-CB 3.26Å; L165-T169 VanDerWaalsContact O-CG2 3.32Å; L165-T169 WeakPolarHBondContact O-CG2 3.17Å; L165-T169 PolarHBondContact O-N 2.87Å; L165-T169 PolarHBondContact O-OG1 3.06Å; C166-T169 WeakPolarHBondContact CA-OG1 3.24Å; C166-T169 PolarHBondContact O-OG1 3.24Å; F167-T169 VanDerWaalsContact C-N 3.34Å; F167-T169 PolarHBondContact O-N 3.22Å; T169-W171 VanDerWaalsContact C-N 3.34Å; T169-W171 PolarHBondContact O-N 3.46Å; T169-S172 WeakPolarHBondContact CA-OG 3.37Å; T169-S172 PolarHBondContact O-N 3.46Å; T169-S172 PolarHBondContact O-OG 3.02Å; T169-L173 WeakPolarHBondContact O-CB 3.5Å; T169-L173 PolarHBondContact O-N 2.98Å
170S69.7Low73.9Confident42 Ų4278.1 Ų78.129%0.29443%0.429SS..Hα-helixtrans-63.5-39.917672.50000112.2C166 F167 T174C166-S170 VanDerWaalsContact O-CB 3.27Å; C166-S170 WeakPolarHBondContact O-CB 3.47Å; C166-S170 PolarHBondContact O-N 3.42Å; C166-S170 PolarHBondContact O-OG 3.29Å; F167-S170 PolarHBondContact O-N 3.44Å; F167-S170 PolarHBondContact O-OG 2.89Å; S170-T174 WeakPolarHBondContact O-CB 3.31Å; S170-T174 PolarHBondContact O-N 2.97Å; S170-T174 PolarHBondContact O-OG1 3.44Å
171W67.9Low72.9Confident123 Ų12376.3 Ų76.347%0.46642%0.42SS..Hα-helixtrans-65.2-49.7175.8-174.4-85.9000110.7F167 T169 L173 T174 S175F167-W171 HydrophobicContact CE2-CE3 4.44Å; F167-W171 AromaticContact CZ-CE3 3.99Å; F167-W171 HydrophobicContact CZ-CE3 3.99Å; F167-W171 WeakPolarHBondContact O-CB 3.35Å; F167-W171 PolarHBondContact O-N 2.73Å; T169-W171 VanDerWaalsContact C-N 3.34Å; T169-W171 PolarHBondContact O-N 3.46Å; W171-L173 VanDerWaalsContact C-N 3.3Å; W171-L173 PolarHBondContact O-N 3.3Å; W171-T174 PolarHBondContact O-N 3.03Å; W171-T174 VanDerWaalsContact O-N 3.17Å; W171-S175 PolarHBondContact O-N 2.86Å; W171-S175 PolarHBondContact O-OG 3.38Å
172S73.3Confident71.7Confident70 Ų7078.7 Ų78.749%0.4943%0.426SS..Hα-helixtrans-60.4-39.6178.363.20000112.5G168 T169 S175 F176G168-S172 WeakPolarHBondContact O-CB 3.24Å; G168-S172 PolarHBondContact O-N 3.26Å; G168-S172 PolarHBondContact O-OG 3.44Å; T169-S172 WeakPolarHBondContact CA-OG 3.37Å; T169-S172 PolarHBondContact O-N 3.46Å; T169-S172 PolarHBondContact O-OG 3.02Å; S172-S175 PolarHBondContact O-N 3.48Å; S172-F176 VanDerWaalsContact O-CB 3.28Å; S172-F176 WeakPolarHBondContact O-CB 3.48Å; S172-F176 PolarHBondContact O-N 2.72Å
173L71.9Confident70.6Confident110 Ų11081.5 Ų81.558%0.57644%0.436SS*.Hα-helixtrans-66.1-42.5177.6-173.268.6000110.9T169 W171 F176 V177T169-L173 WeakPolarHBondContact O-CB 3.5Å; T169-L173 PolarHBondContact O-N 2.98Å; W171-L173 VanDerWaalsContact C-N 3.3Å; W171-L173 PolarHBondContact O-N 3.3Å; L173-F176 PolarHBondContact O-N 3.38Å; L173-V177 WeakPolarHBondContact O-CB 3.27Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.25Å; L173-V177 PolarHBondContact O-N 3.04Å
174T63.9Low69.6Low88 Ų8887.3 Ų87.354%0.5446%0.462SS..Hα-helixtrans-65.2-42.6178.4-55.10000111.5S170 W171 V177 S178S170-T174 WeakPolarHBondContact O-CB 3.31Å; S170-T174 PolarHBondContact O-N 2.97Å; S170-T174 PolarHBondContact O-OG1 3.44Å; W171-T174 PolarHBondContact O-N 3.03Å; W171-T174 VanDerWaalsContact O-N 3.17Å; T174-V177 PolarHBondContact O-N 3.01Å; T174-S178 WeakPolarHBondContact O-CB 3.13Å; T174-S178 PolarHBondContact O-N 3.46Å; T174-S178 PolarHBondContact O-OG 3.39Å
175S61.5Low68.3Low58 Ų5887.8 Ų87.841%0.40646%0.464SS..Hα-helixtrans-62.9-42.1174-61.30000111.8W171 S172 S178 A179W171-S175 PolarHBondContact O-N 2.86Å; W171-S175 PolarHBondContact O-OG 3.38Å; S172-S175 PolarHBondContact O-N 3.48Å; S175-S178 PolarHBondContact O-N 3.46Å; S175-A179 WeakPolarHBondContact O-CB 3.47Å; S175-A179 PolarHBondContact O-N 2.98Å
176F71.1Confident66.9Low129 Ų12985.1 Ų85.157%0.56646%0.455SS*.Hα-helixtrans-64.5-45.5177.6-179.5-103.5000112.5S172 L173 S178 A179 L180S172-F176 VanDerWaalsContact O-CB 3.28Å; S172-F176 WeakPolarHBondContact O-CB 3.48Å; S172-F176 PolarHBondContact O-N 2.72Å; L173-F176 PolarHBondContact O-N 3.38Å; F176-S178 VanDerWaalsContact C-N 3.32Å; F176-S178 PolarHBondContact O-N 3.08Å; F176-A179 PolarHBondContact O-N 3.03Å; F176-L180 HydrophobicContact CD1-CD1 3.81Å; F176-L180 HydrophobicContact CE1-CD1 3.3Å; F176-L180 HydrophobicContact CE1-CG 4.16Å; F176-L180 HydrophobicContact CZ-CD1 3.74Å; F176-L180 HydrophobicContact CZ-CG 4.21Å; F176-L180 PolarHBondContact O-N 3.34Å
177V66.2Low65.7Low80 Ų8089.6 Ų89.649%0.48548%0.476SS..Hα-helixtrans-63.6-39.4175.6171.60000111.1L173 T174 L180 N181L173-V177 WeakPolarHBondContact O-CB 3.27Å; L173-V177 VanDerWaalsContact O-CG2 3.29Å; L173-V177 WeakPolarHBondContact O-CG2 3.25Å; L173-V177 PolarHBondContact O-N 3.04Å; T174-V177 PolarHBondContact O-N 3.01Å; V177-L180 PolarHBondContact O-N 3.18Å; V177-N181 WeakPolarHBondContact O-CB 3.39Å; V177-N181 PolarHBondContact O-N 2.94Å
178S60.8Low64.8Low41 Ų4191.9 Ų91.929%0.28750%0.495SS..Hα-helixtrans-65.8-40.2177.1-58.70000111.7T174 S175 F176 N181 Y182T174-S178 WeakPolarHBondContact O-CB 3.13Å; T174-S178 PolarHBondContact O-N 3.46Å; T174-S178 PolarHBondContact O-OG 3.39Å; S175-S178 PolarHBondContact O-N 3.46Å; F176-S178 VanDerWaalsContact C-N 3.32Å; F176-S178 PolarHBondContact O-N 3.08Å; S178-N181 PolarHBondContact O-N 2.81Å; S178-Y182 PolarHBondContact O-N 3.48Å
179A64.3Low63.3Low42 Ų4296.3 Ų96.335%0.34751%0.509SS..Hα-helixtrans-63.2-46.2173.700000111.5S175 F176 N181 Y182 Y183S175-A179 WeakPolarHBondContact O-CB 3.47Å; S175-A179 PolarHBondContact O-N 2.98Å; F176-A179 PolarHBondContact O-N 3.03Å; A179-N181 PolarHBondContact O-N 2.82Å; A179-Y182 WeakPolarHBondContact O-CB 3.26Å; A179-Y182 PolarHBondContact O-N 3.27Å; A179-Y183 VanDerWaalsContact O-CD2 3.31Å; A179-Y183 WeakPolarHBondContact O-CD2 3.43Å; A179-Y183 PolarHBondContact O-N 2.85Å
180L68.2Low61.6Low73 Ų7398 Ų9838%0.38252%0.521SS..Hα-helixtrans-58.8-45.9174.5-82.2171.6000112F176 V177 Y182 Y183 F184F176-L180 HydrophobicContact CD1-CD1 3.81Å; F176-L180 HydrophobicContact CE1-CD1 3.3Å; F176-L180 HydrophobicContact CE1-CG 4.16Å; F176-L180 HydrophobicContact CZ-CD1 3.74Å; F176-L180 HydrophobicContact CZ-CG 4.21Å; F176-L180 PolarHBondContact O-N 3.34Å; V177-L180 PolarHBondContact O-N 3.18Å; L180-Y182 VanDerWaalsContact C-N 3.27Å; L180-Y182 PolarHBondContact O-N 2.93Å; L180-Y183 PolarHBondContact O-N 3.39Å; L180-F184 HydrophobicContact CD2-CE2 4.44Å; L180-F184 WeakPolarHBondContact O-CD2 3.4Å; L180-F184 PolarHBondContact O-N 3.42Å
181N66.3Low60.2Low62 Ų62100.7 Ų100.733%0.33255%0.546SS..Hα-helixtrans-63.8-35.8-179.7-16748.5000111.6V177 S178 A179 L185 F615V177-N181 WeakPolarHBondContact O-CB 3.39Å; V177-N181 PolarHBondContact O-N 2.94Å; S178-N181 PolarHBondContact O-N 2.81Å; A179-N181 PolarHBondContact O-N 2.82Å; N181-L185 WeakPolarHBondContact ND2-CD1 3.44Å; N181-L185 WeakPolarHBondContact O-CB 3.3Å; N181-L185 PolarHBondContact O-N 3.45Å; N181-L185 WeakPolarHBondContact OD1-CD1 3.26Å; N181-F615 WeakPolarHBondContact ND2-CZ 3.45Å
182Y60.7Low58.8Low170 Ų170100.2 Ų100.267%0.66756%0.562SS**Hα-helixtrans-63-48.8173.1178.3-98000111.8S178 A179 L180 F184 L185 S186S178-Y182 PolarHBondContact O-N 3.48Å; A179-Y182 WeakPolarHBondContact O-CB 3.26Å; A179-Y182 PolarHBondContact O-N 3.27Å; L180-Y182 VanDerWaalsContact C-N 3.27Å; L180-Y182 PolarHBondContact O-N 2.93Å; Y182-F184 VanDerWaalsContact C-N 3.33Å; Y182-F184 PolarHBondContact O-N 3.24Å; Y182-L185 PolarHBondContact O-N 2.88Å; Y182-S186 WeakPolarHBondContact O-CB 3.39Å; Y182-S186 PolarHBondContact O-N 3.27Å; Y182-S186 PolarHBondContact O-OG 2.97Å; Y182-S186 VanDerWaalsContact O-OG 3.11Å
183Y63.7Low56.9Low152 Ų152103.2 Ų103.260%0.59657%0.572SS**Hα-helixtrans-60-40.1177.1-88.2-77000112.7A179 L180 S186A179-Y183 VanDerWaalsContact O-CD2 3.31Å; A179-Y183 WeakPolarHBondContact O-CD2 3.43Å; A179-Y183 PolarHBondContact O-N 2.85Å; L180-Y183 PolarHBondContact O-N 3.39Å; Y183-S186 PolarHBondContact O-OG 3.48Å
184F59.7Low55.1Low152 Ų152105.1 Ų105.167%0.66758%0.583SS**Hα-helixtrans-74.6-33.4178.8-87.3-74.1000113.6L180 Y182L180-F184 HydrophobicContact CD2-CE2 4.44Å; L180-F184 WeakPolarHBondContact O-CD2 3.4Å; L180-F184 PolarHBondContact O-N 3.42Å; Y182-F184 VanDerWaalsContact C-N 3.33Å; Y182-F184 PolarHBondContact O-N 3.24Å
185L56.9Low53.5Low93 Ų93108.8 Ų108.849%0.48760%0.6SS.*Hα-helixtrans-79-26.8178.1-94.7144.6000113.1N181 Y182 D187N181-L185 WeakPolarHBondContact ND2-CD1 3.44Å; N181-L185 WeakPolarHBondContact O-CB 3.3Å; N181-L185 PolarHBondContact O-N 3.45Å; N181-L185 WeakPolarHBondContact OD1-CD1 3.26Å; Y182-L185 PolarHBondContact O-N 2.88Å; L185-D187 VanDerWaalsContact C-N 3.29Å; L185-D187 PolarHBondContact O-N 3.42Å
186S54.9Low52Low60 Ų60111.5 Ų111.542%0.4262%0.618SS.*Hα-helixtrans-68.7-26.3176.254.60000113.3Y182 Y183Y182-S186 WeakPolarHBondContact O-CB 3.39Å; Y182-S186 PolarHBondContact O-N 3.27Å; Y182-S186 PolarHBondContact O-OG 2.97Å; Y182-S186 VanDerWaalsContact O-OG 3.11Å; Y183-S186 PolarHBondContact O-OG 3.48Å
187D54Low50Low145 Ų145113 Ų11378%0.77563%0.625SS**THydrogen-bonded Turntrans-82.9-10.1-178.6-78.9-9.8000114L185L185-D187 VanDerWaalsContact C-N 3.29Å; L185-D187 PolarHBondContact O-N 3.42Å
188V55.4Low48.1Very low114 Ų114121.1 Ų121.169%0.69165%0.647SS**SBendtrans-104-9.9-172.1-179.70000113.7
189L42.7Very low46.5Very low132 Ų132122.8 Ų122.869%0.69166%0.655SS**  trans-125.5105.2-178.3-81.8151.4000111.4A191L189-A191 PolarHBondContact O-N 3.45Å
190P40.4Very low44.9Very low121 Ų121125 Ų12579%0.78667%0.669SS**  trans-71.1126172.429.2-29.6000109S192P190-S192 PolarHBondContact O-N 2.96Å
191A41.2Very low43Very low99 Ų99130.3 Ų130.382%0.81869%0.691SS**  trans-61.3104.6173.800000109.5L189 D193L189-A191 PolarHBondContact O-N 3.45Å; A191-D193 PolarHBondContact O-N 3.5Å
192S37.8Very low41.1Very low114 Ų114134.8 Ų134.880%0.79771%0.71SS**  trans-81.9110.9166.1174.30000108P190P190-S192 PolarHBondContact O-N 2.96Å
193D32.4Very low39.5Very low132 Ų132135.7 Ų135.771%0.70672%0.72SS**  trans-46.5134.5162.4-64.3-45000110.7A191A191-D193 PolarHBondContact O-N 3.5Å
194N34.4Very low37.8Very low151 Ų151132.5 Ų132.581%0.80772%0.717SS**  177.4120.3129.7-85.3-29.2000112S196N194-S196 PolarHBondContact O-N 2.95Å
195N31.1Very low36.4Very low165 Ų165135.2 Ų135.288%0.88272%0.724SS**  trans-40.1111.2165.5-63-43.3000113
196S29.7Very low35Very low114 Ų114138 Ų13880%0.79773%0.732SS**  trans-172.5148.8144.952.10000110.9N194N194-S196 PolarHBondContact O-N 2.95Å
197F28.4Very low33.6Very low161 Ų161138.9 Ų138.971%0.70674%0.739SS**  trans90.970.3166.5-133.7-107.2000118.3T199F197-T199 HydrophobicContact CD1-CG2 4.23Å; F197-T199 VanDerWaalsContact CD1-OG1 3.28Å; F197-T199 WeakPolarHBondContact CD1-OG1 3.43Å; F197-T199 HydrophobicContact CE1-CG2 3.66Å; F197-T199 WeakPolarHBondContact CE1-OG1 3.44Å; F197-T199 HydrophobicContact CZ-CG2 3.85Å; F197-T199 PolarHBondContact O-N 3.31Å
198R26.6Very low32.6Very low250 Ų250137.4 Ų137.494%0.94373%0.734SS**  trans-6691.8158.5-165.8-176.7-156.2-177.65.1109.9
199T28.2Very low31.3Very low76 Ų76135.6 Ų135.647%0.46673%0.727SS.*  trans-150141.1161.655.70000113.2F197F197-T199 HydrophobicContact CD1-CG2 4.23Å; F197-T199 VanDerWaalsContact CD1-OG1 3.28Å; F197-T199 WeakPolarHBondContact CD1-OG1 3.43Å; F197-T199 HydrophobicContact CE1-CG2 3.66Å; F197-T199 WeakPolarHBondContact CE1-OG1 3.44Å; F197-T199 HydrophobicContact CZ-CG2 3.85Å; F197-T199 PolarHBondContact O-N 3.31Å
200S29.8Very low30.9Very low90 Ų90135.1 Ų135.163%0.62973%0.732SS**  trans77.3118.1161.874.20000120H202S200-H202 PolarHBondContact O-N 2.94Å
201H28Very low30.6Very low183 Ų183134.7 Ų134.785%0.84773%0.727SS**  trans-58.6115.5166-77.9-107.3000111.2
202H27.5Very low30.3Very low157 Ų157135.9 Ų135.973%0.72772%0.716SS**  trans-140.188.8157.3-97.1-59.5000109.4S200 T204S200-H202 PolarHBondContact O-N 2.94Å; H202-T204 PolarHBondContact O-N 3.44Å; H202-T204 VanDerWaalsContact O-N 3.16Å
203Q26.7Very low30Very low189 Ų189138 Ų13888%0.88371%0.712SS**  trans-74.393.2163.6-80.5176.7-28.100108.4
204T27.1Very low30.3Very low85 Ų85138.9 Ų138.952%0.52172%0.716SS.*  trans-104113.8158.447.90000107.3H202 F206 S207H202-T204 PolarHBondContact O-N 3.44Å; H202-T204 VanDerWaalsContact O-N 3.16Å; T204-F206 PolarHBondContact O-N 2.82Å; T204-S207 PolarHBondContact O-N 3.28Å
205Y30.2Very low30.4Very low208 Ų208134.9 Ų134.982%0.81670%0.695SS**THydrogen-bonded Turntrans-45.8117.2163.4-65.9-94000107.1
206F27.9Very low30.7Very low151 Ų151136 Ų13666%0.66269%0.688SS**THydrogen-bonded Turntrans110.17.2-172.6-70.7-77.1000119.8T204 T611T204-F206 PolarHBondContact O-N 2.82Å; F206-T611 HydrophobicContact CD2-CG2 4.35Å; F206-T611 WeakPolarHBondContact CD2-O 3.41Å
207S25.8Very low31.1Very low80 Ų80140.7 Ų140.756%0.55969%0.69SS**  trans-103.688.1162.161.80000111.2T204T204-S207 PolarHBondContact O-N 3.28Å
208V33.8Very low31.7Very low113 Ų113140.3 Ų140.369%0.68569%0.69SS**  trans-78.5122.9173178.40000108.9H212V208-H212 HydrophobicContact CG1-CB 4.45Å
209S27.5Very low32.5Very low77 Ų77133.1 Ų133.154%0.53867%0.671SS.*  trans-63.6153.5175.6-39.80000111.3T211S209-T211 PolarHBondContact O-N 2.81Å
210P33.6Very low33.6Very low122 Ų122135.5 Ų135.579%0.79268%0.676SS**THydrogen-bonded Turntrans-70.613.2-170.7-11.827.5000115.4
211T35.1Very low34.7Very low111 Ų111134.3 Ų134.368%0.68167%0.667SS**THydrogen-bonded Turntrans-122.5-3.4-169.353.60000114.8S209 H213S209-T211 PolarHBondContact O-N 2.81Å; T211-H213 PolarHBondContact O-N 3.48Å
212H34.5Very low36.2Very low125 Ų125129.6 Ų129.658%0.57965%0.65SS**  trans-98.571.4169.2-88.2-97.5000110.5V208 D215V208-H212 HydrophobicContact CG1-CB 4.45Å; H212-D215 IonicContact ND1-OD2 3.25Å; H212-D215 PolarHBondContact ND1-OD2 3.44Å
213H32.6Very low37.6Very low157 Ų157124.1 Ų124.173%0.72763%0.63SS**  trans-62.9129.3164.1-71.7-91.1000108.9T211T211-H213 PolarHBondContact O-N 3.48Å
214L37.3Very low39.1Very low152 Ų152119.5 Ų119.580%0.79661%0.611SS**SBendtrans103.3-23.1173.1-85.274.5000120.5Y216 Y217L214-Y216 VanDerWaalsContact C-N 3.33Å; L214-Y216 PolarHBondContact O-N 2.76Å; L214-Y217 PolarHBondContact O-N 2.9Å
215D36.1Very low40.7Very low67 Ų67119.7 Ų119.736%0.35861%0.608SS.*THydrogen-bonded Turntrans-79.2-7.8-170-62.7-21.5000115.6H212 Y217 E218 N219H212-D215 IonicContact ND1-OD2 3.25Å; H212-D215 PolarHBondContact ND1-OD2 3.44Å; D215-Y217 PolarHBondContact O-N 3.22Å; D215-E218 PolarHBondContact O-N 2.99Å; D215-N219 PolarHBondContact O-N 3.23Å
216Y39.3Very low42.3Very low188 Ų188114.1 Ų114.174%0.73759%0.592SS**THydrogen-bonded Turntrans-72.9-19.3177.5-155.7-93.2000112.7L214L214-Y216 VanDerWaalsContact C-N 3.33Å; L214-Y216 PolarHBondContact O-N 2.76Å
217Y37.9Very low44Very low212 Ų212111.5 Ų111.583%0.83159%0.585SS**THydrogen-bonded Turntrans-92.7-14.4174.4-98.3-85.8000113.6L214 D215L214-Y217 PolarHBondContact O-N 2.9Å; D215-Y217 PolarHBondContact O-N 3.22Å
218E40.7Very low45.7Very low154 Ų154110.9 Ų110.972%0.7257%0.571SS**THydrogen-bonded Turntrans-88.6-29.4178.3-101.8-17416600113.5D215 H220D215-E218 PolarHBondContact O-N 2.99Å; E218-H220 PolarHBondContact O-N 2.98Å; E218-H220 VanDerWaalsContact O-N 3.09Å
219N43.1Very low47.2Very low99 Ų99106.1 Ų106.153%0.52954%0.541SS..SBendtrans-88.579.4177.6-70.8-43.6000111.3D215D215-N219 PolarHBondContact O-N 3.23Å
220H50.9Low49.2Very low125 Ų125109.9 Ų109.958%0.57955%0.548SS*.  trans-49.1134.8170.5-142.6-78.9000109E218 V222 S223E218-H220 PolarHBondContact O-N 2.98Å; E218-H220 VanDerWaalsContact O-N 3.09Å; H220-V222 PolarHBondContact O-N 3.43Å; H220-S223 PolarHBondContact O-N 3.01Å; H220-S223 PolarHBondContact O-OG 2.9Å
221P53.5Low50.8Low66 Ų66108.3 Ų108.343%0.42954%0.54SS..Hα-helixtrans-56-21.2179.320.4-33000113.1L225P221-L225 WeakPolarHBondContact O-CB 3.33Å; P221-L225 PolarHBondContact O-N 3.42Å; P221-L225 VanDerWaalsContact O-N 3.11Å
222V59Low52.3Low84 Ų84105.1 Ų105.151%0.50952%0.521SS..Hα-helixtrans-69-35.9173.4-179.10000112.3H220 L225 L226H220-V222 PolarHBondContact O-N 3.43Å; V222-L225 PolarHBondContact O-N 2.91Å; V222-L226 HydrophobicContact CG1-CD1 3.97Å; V222-L226 WeakPolarHBondContact O-CB 3.49Å; V222-L226 PolarHBondContact O-N 3.37Å
223S57.7Low54.1Low42 Ų42100.7 Ų100.729%0.29451%0.509SS..Hα-helixtrans-69.3-43177.1660000111.4H220 L225 L226 D227H220-S223 PolarHBondContact O-N 3.01Å; H220-S223 PolarHBondContact O-OG 2.9Å; S223-L225 VanDerWaalsContact C-N 3.31Å; S223-L225 PolarHBondContact O-N 2.86Å; S223-L226 PolarHBondContact O-N 2.9Å; S223-D227 PolarHBondContact O-N 3.23Å
224L57.1Low56Low92 Ų92101.9 Ų101.948%0.48251%0.507SS..Hα-helixtrans-60.4-40.7173.3-72.2172.1000112.2D227 Y228L224-D227 PolarHBondContact O-N 3.22Å; L224-Y228 WeakPolarHBondContact O-CB 3.49Å; L224-Y228 PolarHBondContact O-N 2.93Å
225L60.9Low57.6Low89 Ų89101.6 Ų101.647%0.46651%0.505SS..Hα-helixtrans-69.8-38177.6-158.4147.9000111.1P221 V222 S223 Y228 V229 F237P221-L225 WeakPolarHBondContact O-CB 3.33Å; P221-L225 PolarHBondContact O-N 3.42Å; P221-L225 VanDerWaalsContact O-N 3.11Å; V222-L225 PolarHBondContact O-N 2.91Å; S223-L225 VanDerWaalsContact C-N 3.31Å; S223-L225 PolarHBondContact O-N 2.86Å; L225-Y228 PolarHBondContact O-N 3.16Å; L225-V229 HydrophobicContact CD2-CG2 4.07Å; L225-V229 WeakPolarHBondContact O-CB 3.11Å; L225-V229 WeakPolarHBondContact O-CG2 3.34Å; L225-V229 PolarHBondContact O-N 2.73Å; L225-F237 HydrophobicContact CD2-CE1 4.4Å; L225-F237 HydrophobicContact CD2-CE2 4.28Å; L225-F237 HydrophobicContact CD2-CZ 3.7Å; L225-F237 HydrophobicContact CG-CE2 4.37Å; L225-F237 HydrophobicContact CG-CZ 4.14Å
226L64.2Low59Low90 Ų90105.3 Ų105.347%0.47151%0.514SS..Hα-helixtrans-64.2-42.3173.9-114.194.6000112.6V222 S223 Y228 V229 K230V222-L226 HydrophobicContact CG1-CD1 3.97Å; V222-L226 WeakPolarHBondContact O-CB 3.49Å; V222-L226 PolarHBondContact O-N 3.37Å; S223-L226 PolarHBondContact O-N 2.9Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-V229 PolarHBondContact O-N 3.4Å; L226-K230 WeakPolarHBondContact O-CB 3.34Å; L226-K230 WeakPolarHBondContact O-CG 3.38Å; L226-K230 PolarHBondContact O-N 3.29Å
227D63.3Low60.4Low96 Ų9697.1 Ų97.151%0.51348%0.482SS..Hα-helixtrans-69.2-33.7178.8-78.1-12.8000111.8S223 L224 K230 S231S223-D227 PolarHBondContact O-N 3.23Å; L224-D227 PolarHBondContact O-N 3.22Å; D227-K230 PolarHBondContact O-N 2.99Å; D227-S231 PolarHBondContact O-N 2.8Å; D227-S231 VanDerWaalsContact O-N 3.07Å; D227-S231 PolarHBondContact O-OG 2.95Å
228Y61.4Low61.8Low68 Ų6890.9 Ų90.927%0.26746%0.463SS..Hα-helixtrans-67.9-44171.6-170.2-87.1000112.3L224 L225 L226 K230 S231 V232 F237 V241L224-Y228 WeakPolarHBondContact O-CB 3.49Å; L224-Y228 PolarHBondContact O-N 2.93Å; L225-Y228 PolarHBondContact O-N 3.16Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; Y228-K230 VanDerWaalsContact C-N 3.28Å; Y228-K230 PolarHBondContact O-N 3.5Å; Y228-S231 WeakPolarHBondContact CA-OG 3.28Å; Y228-S231 PolarHBondContact O-N 2.94Å; Y228-S231 PolarHBondContact O-OG 3.5Å; Y228-V232 HydrophobicContact CD1-CG2 4.29Å; Y228-V232 HydrophobicContact CD2-CG2 4.35Å; Y228-V232 HydrophobicContact CE1-CB 4.06Å; Y228-V232 HydrophobicContact CE1-CG1 4.35Å; Y228-V232 HydrophobicContact CE1-CG2 3.82Å; Y228-V232 HydrophobicContact CE2-CG2 3.92Å; Y228-V232 PolarHBondContact O-N 3.44Å; Y228-F237 AromaticContact CD1-CD2 3.53Å; Y228-F237 HydrophobicContact CD1-CD2 3.53Å; Y228-F237 AromaticContact CD1-CE2 3.99Å; Y228-F237 HydrophobicContact CD1-CE2 3.99Å; Y228-F237 AromaticContact CE1-CD2 3.73Å; Y228-F237 HydrophobicContact CE1-CD2 3.73Å; Y228-F237 HydrophobicContact CE1-CE2 4.42Å; Y228-V241 HydrophobicContact CD1-CG2 4.41Å; Y228-V241 HydrophobicContact CE1-CG2 3.44Å; Y228-V241 VanDerWaalsContact CE1-CG2 3.44Å
229V65.2Low63Low12 Ų1286.8 Ų86.87%0.07344%0.443CS..Hα-helixtrans-61-39.4175.6169.60000111.1L225 L226 G233 W234 F237L225-V229 HydrophobicContact CD2-CG2 4.07Å; L225-V229 WeakPolarHBondContact O-CB 3.11Å; L225-V229 WeakPolarHBondContact O-CG2 3.34Å; L225-V229 PolarHBondContact O-N 2.73Å; L226-V229 PolarHBondContact O-N 3.4Å; V229-G233 WeakPolarHBondContact O-CA 3.44Å; V229-G233 PolarHBondContact O-N 3.28Å; V229-G233 VanDerWaalsContact O-N 3.11Å; V229-W234 HydrophobicContact CG1-CD2 3.71Å; V229-W234 VanDerWaalsContact CG1-CE2 3.4Å; V229-W234 HydrophobicContact CG1-CE3 4.27Å; V229-W234 HydrophobicContact CG1-CG 4.06Å; V229-W234 HydrophobicContact CG1-CH2 4.31Å; V229-W234 HydrophobicContact CG1-CZ2 3.75Å; V229-F237 HydrophobicContact CG2-CB 4.46Å; V229-F237 HydrophobicContact CG2-CD1 3.75Å; V229-F237 HydrophobicContact CG2-CD2 3.86Å; V229-F237 HydrophobicContact CG2-CE1 3.86Å; V229-F237 HydrophobicContact CG2-CE2 3.95Å; V229-F237 HydrophobicContact CG2-CG 3.74Å; V229-F237 HydrophobicContact CG2-CZ 3.96Å
230K70.1Confident63.9Low156 Ų15683 Ų8368%0.67842%0.423SS*.Hα-helixtrans-65-37.4175.9-79.8177.5-178.9172.10113.2L226 D227 Y228L226-K230 WeakPolarHBondContact O-CB 3.34Å; L226-K230 WeakPolarHBondContact O-CG 3.38Å; L226-K230 PolarHBondContact O-N 3.29Å; D227-K230 PolarHBondContact O-N 2.99Å; Y228-K230 VanDerWaalsContact C-N 3.28Å; Y228-K230 PolarHBondContact O-N 3.5Å
231S67.2Low64.5Low90 Ų9077.8 Ų77.863%0.62940%0.4SS*.Hα-helixtrans-82-35.4-176540000114D227 Y228D227-S231 PolarHBondContact O-N 2.8Å; D227-S231 VanDerWaalsContact O-N 3.07Å; D227-S231 PolarHBondContact O-OG 2.95Å; Y228-S231 WeakPolarHBondContact CA-OG 3.28Å; Y228-S231 PolarHBondContact O-N 2.94Å; Y228-S231 PolarHBondContact O-OG 3.5Å
232V66.5Low65Low44 Ų4478.4 Ų78.427%0.26740%0.396SS..Hα-helixtrans-99.6-18.7-172.6-1800000112.8Y228 R236Y228-V232 HydrophobicContact CD1-CG2 4.29Å; Y228-V232 HydrophobicContact CD2-CG2 4.35Å; Y228-V232 HydrophobicContact CE1-CB 4.06Å; Y228-V232 HydrophobicContact CE1-CG1 4.35Å; Y228-V232 HydrophobicContact CE1-CG2 3.82Å; Y228-V232 HydrophobicContact CE2-CG2 3.92Å; Y228-V232 PolarHBondContact O-N 3.44Å; V232-R236 HydrophobicContact CG1-CB 3.86Å; V232-R236 HydrophobicContact CG1-CG 3.91Å
233G72.7Confident65.4Low32 Ų3278 Ų7833%0.3339%0.39SS..  trans82.6146.7-175.900000112.7V229 I235 R236 F237V229-G233 WeakPolarHBondContact O-CA 3.44Å; V229-G233 PolarHBondContact O-N 3.28Å; V229-G233 VanDerWaalsContact O-N 3.11Å; G233-I235 PolarHBondContact O-N 2.75Å; G233-R236 PolarHBondContact O-N 3.39Å; G233-F237 WeakPolarHBondContact O-CB 3.26Å; G233-F237 PolarHBondContact O-N 3.45Å
234W72.6Confident65.4Low181 Ų18177.3 Ų77.369%0.68638%0.383SS*.Hα-helixtrans-56.8-43.3-172.1-85.698.3000114.5V229 F237 L238V229-W234 HydrophobicContact CG1-CD2 3.71Å; V229-W234 VanDerWaalsContact CG1-CE2 3.4Å; V229-W234 HydrophobicContact CG1-CE3 4.27Å; V229-W234 HydrophobicContact CG1-CG 4.06Å; V229-W234 HydrophobicContact CG1-CH2 4.31Å; V229-W234 HydrophobicContact CG1-CZ2 3.75Å; W234-F237 PolarHBondContact O-N 2.83Å; W234-L238 VanDerWaalsContact O-CB 3.28Å; W234-L238 WeakPolarHBondContact O-CB 3.48Å; W234-L238 PolarHBondContact O-N 3.18Å
235I71.4Confident65.6Low146 Ų14674.1 Ų74.175%0.74937%0.367SS*.Hα-helixtrans-64.8-45.8-176.5-62.9168.6000110.4G233 L238 Q239G233-I235 PolarHBondContact O-N 2.75Å; I235-L238 PolarHBondContact O-N 2.9Å; I235-Q239 WeakPolarHBondContact O-CB 3.4Å; I235-Q239 PolarHBondContact O-N 3.27Å
236R65.5Low65.8Low145 Ų14571.5 Ų71.555%0.54735%0.353SS..Hα-helixtrans-75.1-32.2-176.8-159.7174.3-164.1-1733.7111.5V232 G233 N240V232-R236 HydrophobicContact CG1-CB 3.86Å; V232-R236 HydrophobicContact CG1-CG 3.91Å; G233-R236 PolarHBondContact O-N 3.39Å; R236-N240 VanDerWaalsContact O-CB 3.26Å; R236-N240 WeakPolarHBondContact O-CB 3.38Å; R236-N240 PolarHBondContact O-N 3.06Å
237F67.3Low66.1Low17 Ų1770 Ų708%0.07534%0.343CS..Hα-helixtrans-60.8-48.6166.7173.9-102.9000112L225 Y228 V229 G233 W234 Q239 V241 F242L225-F237 HydrophobicContact CD2-CE1 4.4Å; L225-F237 HydrophobicContact CD2-CE2 4.28Å; L225-F237 HydrophobicContact CD2-CZ 3.7Å; L225-F237 HydrophobicContact CG-CE2 4.37Å; L225-F237 HydrophobicContact CG-CZ 4.14Å; Y228-F237 AromaticContact CD1-CD2 3.53Å; Y228-F237 HydrophobicContact CD1-CD2 3.53Å; Y228-F237 AromaticContact CD1-CE2 3.99Å; Y228-F237 HydrophobicContact CD1-CE2 3.99Å; Y228-F237 AromaticContact CE1-CD2 3.73Å; Y228-F237 HydrophobicContact CE1-CD2 3.73Å; Y228-F237 HydrophobicContact CE1-CE2 4.42Å; V229-F237 HydrophobicContact CG2-CB 4.46Å; V229-F237 HydrophobicContact CG2-CD1 3.75Å; V229-F237 HydrophobicContact CG2-CD2 3.86Å; V229-F237 HydrophobicContact CG2-CE1 3.86Å; V229-F237 HydrophobicContact CG2-CE2 3.95Å; V229-F237 HydrophobicContact CG2-CG 3.74Å; V229-F237 HydrophobicContact CG2-CZ 3.96Å; G233-F237 WeakPolarHBondContact O-CB 3.26Å; G233-F237 PolarHBondContact O-N 3.45Å; W234-F237 PolarHBondContact O-N 2.83Å; F237-Q239 PolarHBondContact O-N 3.12Å; F237-V241 HydrophobicContact CD2-CB 3.82Å; F237-V241 HydrophobicContact CD2-CG1 4.19Å; F237-V241 HydrophobicContact CD2-CG2 4.06Å; F237-V241 HydrophobicContact CE2-CB 3.88Å; F237-V241 HydrophobicContact CE2-CG1 3.74Å; F237-V241 HydrophobicContact CE2-CG2 4.41Å; F237-V241 HydrophobicContact CZ-CG1 4.42Å; F237-V241 WeakPolarHBondContact O-CA 3.3Å; F237-V241 WeakPolarHBondContact O-CB 3.46Å; F237-V241 PolarHBondContact O-N 3.34Å; F237-F242 PolarHBondContact O-N 3.43Å
238L67.9Low66.3Low81 Ų8168.8 Ų68.842%0.42434%0.335SS..Iπ-helixtrans-67.5-39.1-176.1-150.3144.8000111.3W234 I235 F242 I243W234-L238 VanDerWaalsContact O-CB 3.28Å; W234-L238 WeakPolarHBondContact O-CB 3.48Å; W234-L238 PolarHBondContact O-N 3.18Å; I235-L238 PolarHBondContact O-N 2.9Å; L238-F242 WeakPolarHBondContact O-CB 3.45Å; L238-I243 HydrophobicContact CD2-CD1 3.89Å; L238-I243 HydrophobicContact CD2-CG1 4.3Å; L238-I243 VanDerWaalsContact O-CG1 3.3Å; L238-I243 WeakPolarHBondContact O-CG1 3.45Å; L238-I243 PolarHBondContact O-N 2.72Å
239Q66.7Low66.5Low68 Ų6867.9 Ų67.932%0.31834%0.338SS..Iπ-helixtrans-69.3-58.1175-174.3-177.1-24.200112.4I235 F237 Q244I235-Q239 WeakPolarHBondContact O-CB 3.4Å; I235-Q239 PolarHBondContact O-N 3.27Å; F237-Q239 PolarHBondContact O-N 3.12Å; Q239-Q244 WeakPolarHBondContact O-CB 3.24Å; Q239-Q244 PolarHBondContact O-N 3.43Å; Q239-Q244 VanDerWaalsContact O-N 3.12Å
240N60.3Low66.8Low18 Ų1868.7 Ų68.710%0.09635%0.346CS..Iπ-helixtrans-83.1-37.8-167-63.71.4000112.6R236 V245R236-N240 VanDerWaalsContact O-CB 3.26Å; R236-N240 WeakPolarHBondContact O-CB 3.38Å; R236-N240 PolarHBondContact O-N 3.06Å; N240-V245 VanDerWaalsContact O-CG2 3.26Å; N240-V245 WeakPolarHBondContact O-CG2 3.42Å; N240-V245 PolarHBondContact O-N 2.86Å
241V63.4Low67.1Low17 Ų1761.5 Ų61.510%0.10332%0.315CS..Iπ-helixtrans-95.9-49.9-175.9-178.60000111.2Y228 F237 V245 I246Y228-V241 HydrophobicContact CD1-CG2 4.41Å; Y228-V241 HydrophobicContact CE1-CG2 3.44Å; Y228-V241 VanDerWaalsContact CE1-CG2 3.44Å; F237-V241 HydrophobicContact CD2-CB 3.82Å; F237-V241 HydrophobicContact CD2-CG1 4.19Å; F237-V241 HydrophobicContact CD2-CG2 4.06Å; F237-V241 HydrophobicContact CE2-CB 3.88Å; F237-V241 HydrophobicContact CE2-CG1 3.74Å; F237-V241 HydrophobicContact CE2-CG2 4.41Å; F237-V241 HydrophobicContact CZ-CG1 4.42Å; F237-V241 WeakPolarHBondContact O-CA 3.3Å; F237-V241 WeakPolarHBondContact O-CB 3.46Å; F237-V241 PolarHBondContact O-N 3.34Å; V241-V245 WeakPolarHBondContact O-CB 3.45Å; V241-V245 PolarHBondContact O-N 3.45Å; V241-I246 HydrophobicContact CG1-CD1 4.02Å; V241-I246 WeakPolarHBondContact O-CG1 3.29Å; V241-I246 PolarHBondContact O-N 3.06Å
242F65.1Low67.2Low79 Ų7960 Ų6035%0.34630%0.298SS..Iπ-helixtrans-74.3-56-175.1-172.2-96.3000112.5F237 L238 I246 F247F237-F242 PolarHBondContact O-N 3.43Å; L238-F242 WeakPolarHBondContact O-CB 3.45Å; F242-I246 WeakPolarHBondContact O-CB 3.47Å; F242-I246 PolarHBondContact O-N 3.28Å; F242-F247 WeakPolarHBondContact O-CB 3.42Å; F242-F247 PolarHBondContact O-N 3.45Å
243I66.2Low67.4Low74 Ų7462.6 Ų62.638%0.37931%0.31SS..Iπ-helixtrans-74.5-53.2-176.6-65.5169.4000111.2L238 F247L238-I243 HydrophobicContact CD2-CD1 3.89Å; L238-I243 HydrophobicContact CD2-CG1 4.3Å; L238-I243 VanDerWaalsContact O-CG1 3.3Å; L238-I243 WeakPolarHBondContact O-CG1 3.45Å; L238-I243 PolarHBondContact O-N 2.72Å; I243-F247 WeakPolarHBondContact O-CB 3.47Å
244Q59.6Low67.8Low29 Ų2963.5 Ų63.514%0.13631%0.307CS..Iπ-helixtrans-77.5-44.5-171.3172.9171.811.200113.2Q239 M248 F600Q239-Q244 WeakPolarHBondContact O-CB 3.24Å; Q239-Q244 PolarHBondContact O-N 3.43Å; Q239-Q244 VanDerWaalsContact O-N 3.12Å; Q244-M248 WeakPolarHBondContact O-CB 3.11Å; Q244-F600 HydrophobicContact CB-CE1 3.91Å; Q244-F600 HydrophobicContact CG-CD1 3.85Å; Q244-F600 HydrophobicContact CG-CE1 3.54Å
245V59.4Low68.1Low25 Ų2555.8 Ų55.815%0.15228%0.279CS..Iπ-helixtrans-84.7-64.2-179.4172.30000110.4N240 V241 S249 W605 F608N240-V245 VanDerWaalsContact O-CG2 3.26Å; N240-V245 WeakPolarHBondContact O-CG2 3.42Å; N240-V245 PolarHBondContact O-N 2.86Å; V241-V245 WeakPolarHBondContact O-CB 3.45Å; V241-V245 PolarHBondContact O-N 3.45Å; V245-S249 WeakPolarHBondContact O-CB 3.4Å; V245-S249 PolarHBondContact O-N 3.06Å; V245-S249 PolarHBondContact O-OG 3.49Å; V245-W605 HydrophobicContact CB-CZ3 4.43Å; V245-W605 HydrophobicContact CG2-CH2 4.4Å; V245-W605 HydrophobicContact CG2-CZ3 3.68Å; V245-F608 HydrophobicContact CB-CE1 4.27Å; V245-F608 HydrophobicContact CG1-CE1 3.69Å; V245-F608 HydrophobicContact CG1-CZ 4.42Å; V245-F608 HydrophobicContact CG2-CD1 4.21Å; V245-F608 HydrophobicContact CG2-CE1 3.66Å; V245-F608 HydrophobicContact CG2-CZ 4.3Å
246I66Low68.2Low33 Ų3350.4 Ų50.417%0.16925%0.25CS..Iπ-helixtrans-69.1-52.8-165.6-70.1167.7000111.1F167 V241 F242 S249 A250F167-I246 HydrophobicContact CD1-CG2 4.47Å; F167-I246 HydrophobicContact CD2-CG2 3.57Å; F167-I246 HydrophobicContact CE1-CD1 4.5Å; F167-I246 HydrophobicContact CE1-CG2 4.22Å; F167-I246 HydrophobicContact CE2-CB 4.31Å; F167-I246 HydrophobicContact CE2-CG1 4.23Å; F167-I246 HydrophobicContact CE2-CG2 3.28Å; F167-I246 HydrophobicContact CG-CG2 4.17Å; F167-I246 HydrophobicContact CZ-CB 4.49Å; F167-I246 HydrophobicContact CZ-CD1 3.95Å; F167-I246 HydrophobicContact CZ-CG1 4.08Å; F167-I246 HydrophobicContact CZ-CG2 3.63Å; V241-I246 HydrophobicContact CG1-CD1 4.02Å; V241-I246 WeakPolarHBondContact O-CG1 3.29Å; V241-I246 PolarHBondContact O-N 3.06Å; F242-I246 WeakPolarHBondContact O-CB 3.47Å; F242-I246 PolarHBondContact O-N 3.28Å; I246-S249 PolarHBondContact O-N 2.94Å; I246-A250 VanDerWaalsContact O-CB 3.25Å; I246-A250 WeakPolarHBondContact O-CB 3.39Å; I246-A250 PolarHBondContact O-N 3.5Å
247F69.9Low68.8Low59 Ų5947 Ų4726%0.25925%0.246SC..Iπ-helixtrans-67.1-44.6-174.7179.4-102.3000112.3L127 F242 I243 A250 L251L127-F247 HydrophobicContact CD1-CE2 4.04Å; L127-F247 HydrophobicContact CD1-CZ 3.79Å; L127-F247 HydrophobicContact CD2-CZ 3.87Å; L127-F247 HydrophobicContact CG-CZ 4.44Å; F242-F247 WeakPolarHBondContact O-CB 3.42Å; F242-F247 PolarHBondContact O-N 3.45Å; I243-F247 WeakPolarHBondContact O-CB 3.47Å; F247-A250 PolarHBondContact O-N 2.91Å; F247-L251 HydrophobicContact CD1-CD1 3.97Å; F247-L251 HydrophobicContact CE1-CD1 3.42Å; F247-L251 VanDerWaalsContact CE1-CD1 3.42Å; F247-L251 HydrophobicContact CE1-CG 4.29Å; F247-L251 HydrophobicContact CE2-CD1 4.41Å; F247-L251 HydrophobicContact CZ-CD1 3.68Å; F247-L251 HydrophobicContact CZ-CG 4.25Å; F247-L251 WeakPolarHBondContact O-CG 3.49Å; F247-L251 PolarHBondContact O-N 3.23Å
248M68.9Low69.6Low70 Ų7046.5 Ų46.535%0.34525%0.245SC..Hα-helixtrans-67.7-39.5176.5-64.2-63.3174.500112.6Q244 A250 L251 E252Q244-M248 WeakPolarHBondContact O-CB 3.11Å; M248-A250 VanDerWaalsContact C-N 3.31Å; M248-A250 PolarHBondContact O-N 3.22Å; M248-L251 PolarHBondContact O-N 2.78Å; M248-L251 HydrophobicContact SD-CD1 4.43Å; M248-E252 WeakPolarHBondContact O-CB 3.27Å; M248-E252 PolarHBondContact O-N 2.83Å
249S65.7Low70.3Confident49 Ų4942.8 Ų42.834%0.34323%0.226SC..Hα-helixtrans-65-36.6175.3-59.70000111.7V245 I246 E252 L253V245-S249 WeakPolarHBondContact O-CB 3.4Å; V245-S249 PolarHBondContact O-N 3.06Å; V245-S249 PolarHBondContact O-OG 3.49Å; I246-S249 PolarHBondContact O-N 2.94Å; S249-E252 PolarHBondContact O-N 3.16Å; S249-L253 WeakPolarHBondContact O-CB 3.29Å; S249-L253 PolarHBondContact O-N 3.5Å
250A70.9Confident70.9Confident29 Ų2942.2 Ų42.224%0.2423%0.225CC..Hα-helixtrans-66.1-44.3174.900000111.5I246 F247 M248 E252 L253 I254I246-A250 VanDerWaalsContact O-CB 3.25Å; I246-A250 WeakPolarHBondContact O-CB 3.39Å; I246-A250 PolarHBondContact O-N 3.5Å; F247-A250 PolarHBondContact O-N 2.91Å; M248-A250 VanDerWaalsContact C-N 3.31Å; M248-A250 PolarHBondContact O-N 3.22Å; A250-E252 VanDerWaalsContact C-N 3.31Å; A250-E252 PolarHBondContact O-N 2.68Å; A250-L253 PolarHBondContact O-N 3.34Å; A250-I254 VanDerWaalsContact O-CG1 3.25Å; A250-I254 WeakPolarHBondContact O-CG1 3.24Å; A250-I254 PolarHBondContact O-N 2.92Å
251L74.9Confident72.2Confident6 Ų645.9 Ų45.93%0.03124%0.243CC..Hα-helixtrans-63.2-37.9174.5-74.1177.6000112.2K123 L127 F247 M248 I254 Q255K123-L251 HydrophobicContact CB-CD1 4.5Å; L127-L251 HydrophobicContact CB-CD2 4.46Å; F247-L251 HydrophobicContact CD1-CD1 3.97Å; F247-L251 HydrophobicContact CE1-CD1 3.42Å; F247-L251 VanDerWaalsContact CE1-CD1 3.42Å; F247-L251 HydrophobicContact CE1-CG 4.29Å; F247-L251 HydrophobicContact CE2-CD1 4.41Å; F247-L251 HydrophobicContact CZ-CD1 3.68Å; F247-L251 HydrophobicContact CZ-CG 4.25Å; F247-L251 WeakPolarHBondContact O-CG 3.49Å; F247-L251 PolarHBondContact O-N 3.23Å; M248-L251 PolarHBondContact O-N 2.78Å; M248-L251 HydrophobicContact SD-CD1 4.43Å; L251-I254 PolarHBondContact O-N 3.46Å; L251-Q255 WeakPolarHBondContact O-CB 3.43Å; L251-Q255 PolarHBondContact O-N 3.03Å
252E70.7Confident73.3Confident58 Ų5845 Ų4527%0.27124%0.239SC..Hα-helixtrans-65.6-44.4174.1-171.8168.2175.600111.1M248 S249 A250 I254 Q255 M256 L544M248-E252 WeakPolarHBondContact O-CB 3.27Å; M248-E252 PolarHBondContact O-N 2.83Å; S249-E252 PolarHBondContact O-N 3.16Å; A250-E252 VanDerWaalsContact C-N 3.31Å; A250-E252 PolarHBondContact O-N 2.68Å; E252-I254 VanDerWaalsContact C-N 3.3Å; E252-I254 PolarHBondContact O-N 2.92Å; E252-Q255 PolarHBondContact O-N 2.94Å; E252-Q255 VanDerWaalsContact O-N 3.14Å; E252-M256 HydrophobicContact CG-CG 4.36Å; E252-M256 WeakPolarHBondContact O-CB 3.3Å; E252-M256 WeakPolarHBondContact O-CG 3.42Å; E252-M256 PolarHBondContact O-N 3.29Å; E252-L544 WeakPolarHBondContact OE1-CD1 3.25Å
253L71.4Confident74.3Confident98 Ų9842 Ų4251%0.51323%0.226SC..Hα-helixtrans-58.9-42.2173.7-177.865.2000111.8S249 A250 M256 T257S249-L253 WeakPolarHBondContact O-CB 3.29Å; S249-L253 PolarHBondContact O-N 3.5Å; A250-L253 PolarHBondContact O-N 3.34Å; L253-M256 PolarHBondContact O-N 3.41Å; L253-T257 HydrophobicContact CD1-CG2 4.24Å; L253-T257 HydrophobicContact CG-CG2 4.44Å; L253-T257 WeakPolarHBondContact O-CB 3.47Å; L253-T257 VanDerWaalsContact O-CG2 3.29Å; L253-T257 WeakPolarHBondContact O-CG2 3.38Å; L253-T257 PolarHBondContact O-N 3.47Å; L253-T257 PolarHBondContact O-OG1 3.12Å
254I79.7Confident75.3Confident52 Ų5243.3 Ų43.327%0.26723%0.233SC..Hα-helixtrans-61.5-46.3174.8-69164.1000110.3Y126 Y163 A250 L251 E252 M256 T257 A258Y126-I254 HydrophobicContact CD1-CG2 4.16Å; Y126-I254 HydrophobicContact CG-CG2 4.03Å; Y163-I254 HydrophobicContact CD1-CD1 4.5Å; Y163-I254 HydrophobicContact CE1-CD1 3.78Å; A250-I254 VanDerWaalsContact O-CG1 3.25Å; A250-I254 WeakPolarHBondContact O-CG1 3.24Å; A250-I254 PolarHBondContact O-N 2.92Å; L251-I254 PolarHBondContact O-N 3.46Å; E252-I254 VanDerWaalsContact C-N 3.3Å; E252-I254 PolarHBondContact O-N 2.92Å; I254-M256 VanDerWaalsContact C-N 3.35Å; I254-M256 PolarHBondContact O-N 2.88Å; I254-T257 WeakPolarHBondContact CA-OG1 3.18Å; I254-T257 PolarHBondContact O-OG1 3.12Å; I254-A258 WeakPolarHBondContact O-CB 3.44Å; I254-A258 PolarHBondContact O-N 3.27Å
255Q80.2Confident76.6Confident19 Ų1943.6 Ų43.69%0.08924%0.235CC..Hα-helixtrans-62.6-40.7176.9-178.6177.4-12.500112N119 Y126 L251 E252 A258 S259N119-Q255 PolarHBondContact OD1-NE2 2.87Å; Y126-Q255 HydrophobicContact CD2-CB 4.45Å; Y126-Q255 HydrophobicContact CE2-CB 4.22Å; Y126-Q255 HydrophobicContact CE2-CG 4.27Å; L251-Q255 WeakPolarHBondContact O-CB 3.43Å; L251-Q255 PolarHBondContact O-N 3.03Å; E252-Q255 PolarHBondContact O-N 2.94Å; E252-Q255 VanDerWaalsContact O-N 3.14Å; Q255-A258 WeakPolarHBondContact O-CB 3.4Å; Q255-A258 PolarHBondContact O-N 3.4Å; Q255-S259 PolarHBondContact O-N 3.1Å; Q255-S259 PolarHBondContact O-OG 3.47Å; Q255-S259 VanDerWaalsContact O-OG 3.1Å
256M73Confident77.9Confident32 Ų3242.4 Ų42.416%0.15823%0.228CC..Hα-helixtrans-67.3-47179.7-68.3-66.2-71.900111.9E252 L253 I254 A258 S259 L260 I644 F648E252-M256 HydrophobicContact CG-CG 4.36Å; E252-M256 WeakPolarHBondContact O-CB 3.3Å; E252-M256 WeakPolarHBondContact O-CG 3.42Å; E252-M256 PolarHBondContact O-N 3.29Å; L253-M256 PolarHBondContact O-N 3.41Å; I254-M256 VanDerWaalsContact C-N 3.35Å; I254-M256 PolarHBondContact O-N 2.88Å; M256-A258 VanDerWaalsContact C-N 3.29Å; M256-A258 PolarHBondContact O-N 2.86Å; M256-S259 PolarHBondContact O-N 3.17Å; M256-L260 WeakPolarHBondContact O-CG 3.19Å; M256-L260 PolarHBondContact O-N 3.45Å; M256-I644 HydrophobicContact CE-CD1 4.17Å; M256-I644 HydrophobicContact CE-CG1 4.44Å; M256-I644 HydrophobicContact CE-CG2 3.47Å; M256-I644 VanDerWaalsContact CE-CG2 3.47Å; M256-F648 HydrophobicContact CE-CD2 3.65Å; M256-F648 HydrophobicContact CE-CE1 4.29Å; M256-F648 HydrophobicContact CE-CE2 3.22Å; M256-F648 HydrophobicContact CE-CG 4.35Å; M256-F648 HydrophobicContact CE-CZ 3.59Å; M256-F648 HydrophobicContact SD-CD1 3.95Å; M256-F648 HydrophobicContact SD-CD2 4.02Å; M256-F648 HydrophobicContact SD-CE1 3.45Å; M256-F648 WeakPolarHBondContact SD-CE1 3.39Å; M256-F648 HydrophobicContact SD-CE2 3.54Å; M256-F648 VanDerWaalsContact SD-CE2 3.54Å; M256-F648 HydrophobicContact SD-CG 4.22Å; M256-F648 HydrophobicContact SD-CZ 3.22Å; M256-F648 WeakPolarHBondContact SD-CZ 2.97Å
257T78Confident78.6Confident75 Ų7543.5 Ų43.546%0.4623%0.232SC..Hα-helixtrans-63.4-38.5175.352.50000111.2L253 I254 L260 L261L253-T257 HydrophobicContact CD1-CG2 4.24Å; L253-T257 HydrophobicContact CG-CG2 4.44Å; L253-T257 WeakPolarHBondContact O-CB 3.47Å; L253-T257 VanDerWaalsContact O-CG2 3.29Å; L253-T257 WeakPolarHBondContact O-CG2 3.38Å; L253-T257 PolarHBondContact O-N 3.47Å; L253-T257 PolarHBondContact O-OG1 3.12Å; I254-T257 WeakPolarHBondContact CA-OG1 3.18Å; I254-T257 PolarHBondContact O-OG1 3.12Å; T257-L260 PolarHBondContact O-N 3.42Å; T257-L261 WeakPolarHBondContact O-CB 3.06Å; T257-L261 PolarHBondContact O-N 2.98Å
258A84.6Confident79.3Confident5 Ų544.2 Ų44.24%0.04124%0.238CC..Hα-helixtrans-59.2-50.317300000112.7Y126 I254 Q255 M256 L260 L261 G262 M521Y126-A258 HydrophobicContact CE1-CB 3.91Å; Y126-A258 HydrophobicContact CE2-CB 4.34Å; Y126-A258 VanDerWaalsContact OH-CB 3.28Å; Y126-A258 WeakPolarHBondContact OH-CB 3.3Å; I254-A258 WeakPolarHBondContact O-CB 3.44Å; I254-A258 PolarHBondContact O-N 3.27Å; Q255-A258 WeakPolarHBondContact O-CB 3.4Å; Q255-A258 PolarHBondContact O-N 3.4Å; M256-A258 VanDerWaalsContact C-N 3.29Å; M256-A258 PolarHBondContact O-N 2.86Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-L260 PolarHBondContact O-N 3.06Å; A258-L261 PolarHBondContact O-N 3.4Å; A258-G262 PolarHBondContact O-N 2.75Å; A258-M521 VanDerWaalsContact CA-CE 3.41Å; A258-M521 WeakPolarHBondContact CA-SD 3.12Å; A258-M521 HydrophobicContact CB-CE 3.88Å; A258-M521 HydrophobicContact CB-SD 3.16Å; A258-M521 WeakPolarHBondContact CB-SD 3.26Å; A258-M521 VanDerWaalsContact O-CE 3.26Å; A258-M521 WeakPolarHBondContact O-CE 3.16Å
259S80.8Confident80.1Confident3 Ų340.9 Ų40.92%0.02122%0.221CC..Hα-helixtrans-63.8-37177.2-650000112.8Q255 M256 G262 L263 A524 A525Q255-S259 PolarHBondContact O-N 3.1Å; Q255-S259 PolarHBondContact O-OG 3.47Å; Q255-S259 VanDerWaalsContact O-OG 3.1Å; M256-S259 PolarHBondContact O-N 3.17Å; S259-G262 PolarHBondContact O-N 3.19Å; S259-L263 WeakPolarHBondContact O-CB 3.32Å; S259-L263 PolarHBondContact O-N 2.88Å; S259-A524 WeakPolarHBondContact OG-CB 3.46Å; S259-A525 WeakPolarHBondContact O-CB 3.42Å
260L80.9Confident80.9Confident57 Ų5738.7 Ų38.730%0.29821%0.205SC..Hα-helixtrans-66.4-44.4175.8-75.9168.7000111.9M256 T257 A258 G262 L263 L264M256-L260 WeakPolarHBondContact O-CG 3.19Å; M256-L260 PolarHBondContact O-N 3.45Å; T257-L260 PolarHBondContact O-N 3.42Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-L260 PolarHBondContact O-N 3.06Å; L260-G262 VanDerWaalsContact C-N 3.33Å; L260-L263 PolarHBondContact O-N 3.12Å; L260-L264 PolarHBondContact O-N 2.99Å
261L87.7Confident81.4Confident94 Ų9438 Ų3849%0.49220%0.198SC..Hα-helixtrans-66.3-38.7175.7-172.266.1000110.9T257 A258 L264 L265 M521T257-L261 WeakPolarHBondContact O-CB 3.06Å; T257-L261 PolarHBondContact O-N 2.98Å; A258-L261 PolarHBondContact O-N 3.4Å; L261-L264 PolarHBondContact O-N 3.49Å; L261-L265 WeakPolarHBondContact O-CB 3.4Å; L261-L265 VanDerWaalsContact O-CG 3.32Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 2.92Å; L261-M521 HydrophobicContact CB-CE 3.69Å; L261-M521 HydrophobicContact CD2-CE 3.59Å; L261-M521 HydrophobicContact CG-CE 3.97Å
262G86.5Confident81.7Confident0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-58.9-43.617200000112.5A258 S259 L260 L265 L266 M521A258-G262 PolarHBondContact O-N 2.75Å; S259-G262 PolarHBondContact O-N 3.19Å; L260-G262 VanDerWaalsContact C-N 3.33Å; G262-L265 PolarHBondContact O-N 3.37Å; G262-L266 VanDerWaalsContact O-CG 3.3Å; G262-L266 WeakPolarHBondContact O-CG 3.45Å; G262-L266 PolarHBondContact O-N 3.41Å; G262-M521 WeakPolarHBondContact CA-O 3.05Å
263L84.6Confident82.2Confident16 Ų1636.8 Ų36.88%0.08420%0.195CC..Hα-helixtrans-64.3-43.8177.4-175.771.3000111.7S259 L260 L265 L266 F267 A525 L528 Q529 L532 F643S259-L263 WeakPolarHBondContact O-CB 3.32Å; S259-L263 PolarHBondContact O-N 2.88Å; L260-L263 PolarHBondContact O-N 3.12Å; L263-L265 VanDerWaalsContact C-N 3.32Å; L263-L265 PolarHBondContact O-N 3.25Å; L263-L266 PolarHBondContact O-N 2.85Å; L263-F267 PolarHBondContact O-N 2.77Å; L263-A525 HydrophobicContact CB-CB 4.17Å; L263-L528 HydrophobicContact CB-CD2 4.18Å; L263-L528 HydrophobicContact CD1-CB 4.46Å; L263-L528 HydrophobicContact CD1-CD2 4.05Å; L263-L528 HydrophobicContact CD1-CG 3.89Å; L263-L528 HydrophobicContact CD2-CD2 3.64Å; L263-L528 HydrophobicContact CD2-CG 4.1Å; L263-L528 HydrophobicContact CG-CD2 4.15Å; L263-L528 HydrophobicContact CG-CG 4.48Å; L263-Q529 HydrophobicContact CD1-CB 4.18Å; L263-L532 HydrophobicContact CD1-CD1 3.97Å; L263-L532 HydrophobicContact CD2-CD1 3.9Å; L263-F643 HydrophobicContact CD2-CZ 4.42Å
264L86.9Confident82.7Confident101 Ų10132.9 Ų32.953%0.52918%0.175SC..Hα-helixtrans-60.9-43.6175.7-17768.4000111.1L260 L261 F267 I268L260-L264 PolarHBondContact O-N 2.99Å; L261-L264 PolarHBondContact O-N 3.49Å; L264-F267 PolarHBondContact O-N 2.87Å; L264-I268 HydrophobicContact CG-CD1 4.5Å; L264-I268 PolarHBondContact O-N 3.29Å
265L87.4Confident82.7Confident35 Ų3531.8 Ų31.818%0.18317%0.169CC..Hα-helixtrans-61.7-45.3175-74.4172.4000111.4L261 G262 L263 F267 I268 C269 L518L261-L265 WeakPolarHBondContact O-CB 3.4Å; L261-L265 VanDerWaalsContact O-CG 3.32Å; L261-L265 WeakPolarHBondContact O-CG 3.3Å; L261-L265 PolarHBondContact O-N 2.92Å; G262-L265 PolarHBondContact O-N 3.37Å; L263-L265 VanDerWaalsContact C-N 3.32Å; L263-L265 PolarHBondContact O-N 3.25Å; L265-F267 VanDerWaalsContact C-N 3.29Å; L265-F267 PolarHBondContact O-N 3.34Å; L265-I268 PolarHBondContact O-N 2.9Å; L265-C269 VanDerWaalsContact O-CB 3.24Å; L265-C269 WeakPolarHBondContact O-CB 3.44Å; L265-C269 PolarHBondContact O-N 3.39Å; L265-C269 PolarHBondContact O-SG 3.44Å; L265-L518 HydrophobicContact CD1-CD2 4.34Å
266L86.5Confident82.8Confident0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-59.4-38.4176.9-74.1171.5000112.4G262 L263 C269 T270 L522 A525 Q529G262-L266 VanDerWaalsContact O-CG 3.3Å; G262-L266 WeakPolarHBondContact O-CG 3.45Å; G262-L266 PolarHBondContact O-N 3.41Å; L263-L266 PolarHBondContact O-N 2.85Å; L266-C269 PolarHBondContact O-N 3.08Å; L266-T270 WeakPolarHBondContact O-CB 3.34Å; L266-T270 WeakPolarHBondContact O-CG2 3.31Å; L266-T270 PolarHBondContact O-N 3.5Å; L266-T270 PolarHBondContact O-OG1 3.15Å; L266-L522 HydrophobicContact CD2-CB 4.38Å; L266-L522 HydrophobicContact CD2-CD2 3.79Å; L266-L522 HydrophobicContact CD2-CG 4.26Å; L266-L522 HydrophobicContact CG-CD2 4.47Å; L266-A525 HydrophobicContact CD1-CB 3.54Å; L266-Q529 HydrophobicContact CD1-CB 4.24Å
267F81.9Confident83.1Confident56 Ų5631.4 Ų31.425%0.24617%0.17CC..Hα-helixtrans-64-40177.4-179.4-100.4000112.6L263 L264 L265 P271 Y666 C669L263-F267 PolarHBondContact O-N 2.77Å; L264-F267 PolarHBondContact O-N 2.87Å; L265-F267 VanDerWaalsContact C-N 3.29Å; L265-F267 PolarHBondContact O-N 3.34Å; F267-P271 WeakPolarHBondContact O-CD 3.43Å; F267-P271 WeakPolarHBondContact O-CG 3.37Å; F267-Y666 HydrophobicContact CB-CE2 4.43Å; F267-Y666 HydrophobicContact CD2-CD2 4.16Å; F267-Y666 AromaticContact CD2-CE2 3.64Å; F267-Y666 HydrophobicContact CD2-CE2 3.64Å; F267-Y666 HydrophobicContact CE2-CE2 4.4Å; F267-Y666 HydrophobicContact CG-CE2 4.39Å; F267-C669 HydrophobicContact CE2-CB 4.1Å; F267-C669 HydrophobicContact CZ-CB 3.82Å
268I84Confident83.1Confident74 Ų7428.8 Ų28.838%0.37915%0.154SC..Hα-helixtrans-76.3-41.1177.3-62.3168.9000110.7L264 L265 P271 V272 L494L264-I268 HydrophobicContact CG-CD1 4.5Å; L264-I268 PolarHBondContact O-N 3.29Å; L265-I268 PolarHBondContact O-N 2.9Å; I268-P271 WeakPolarHBondContact O-CD 3.45Å; I268-P271 WeakPolarHBondContact O-CG 3.19Å; I268-V272 VanDerWaalsContact O-CG2 3.23Å; I268-V272 WeakPolarHBondContact O-CG2 3.42Å; I268-L494 HydrophobicContact CG2-CD1 4.28Å; I268-L494 HydrophobicContact CG2-CD2 4Å
269C85.4Confident82.8Confident0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-73.3-37.6-172.3-66.30000112.8L265 L266 V272 G273 S487 G490 F491L265-C269 VanDerWaalsContact O-CB 3.24Å; L265-C269 WeakPolarHBondContact O-CB 3.44Å; L265-C269 PolarHBondContact O-N 3.39Å; L265-C269 PolarHBondContact O-SG 3.44Å; L266-C269 PolarHBondContact O-N 3.08Å; C269-V272 PolarHBondContact O-N 2.88Å; C269-G273 WeakPolarHBondContact O-CA 3.11Å; C269-G273 PolarHBondContact O-N 2.66Å; C269-S487 WeakPolarHBondContact CB-O 3.32Å; C269-G490 WeakPolarHBondContact O-CA 3.42Å; C269-F491 VanDerWaalsContact SG-CA 3.52Å
270T83.1Confident82.6Confident2 Ų234 Ų341%0.01218%0.181CC..Hα-helixtrans-58.8-50.4-177.643.70000114.4L266 G273 L274 L483L266-T270 WeakPolarHBondContact O-CB 3.34Å; L266-T270 WeakPolarHBondContact O-CG2 3.31Å; L266-T270 PolarHBondContact O-N 3.5Å; L266-T270 PolarHBondContact O-OG1 3.15Å; T270-G273 PolarHBondContact O-N 2.69Å; T270-L274 PolarHBondContact O-N 3.5Å; T270-L483 HydrophobicContact CG2-CD2 4.2Å
271P80.5Confident82.3Confident14 Ų1432.6 Ų32.69%0.09117%0.173CC..Hα-helixtrans-68.8-37.8176.825.4-34000112.8F267 I268 G273 L274 L275 I677F267-P271 WeakPolarHBondContact O-CD 3.43Å; F267-P271 WeakPolarHBondContact O-CG 3.37Å; I268-P271 WeakPolarHBondContact O-CD 3.45Å; I268-P271 WeakPolarHBondContact O-CG 3.19Å; P271-G273 VanDerWaalsContact C-N 3.32Å; P271-L274 PolarHBondContact O-N 3.5Å; P271-L275 PolarHBondContact O-N 2.93Å; P271-I677 HydrophobicContact CB-CD1 3.6Å; P271-I677 HydrophobicContact CG-CD1 4.48Å
272V82.1Confident81.5Confident39 Ų3928.7 Ų28.724%0.23615%0.153CC..Hα-helixtrans-65.9-38177173.60000111I268 C269 L275 S276 L494I268-V272 VanDerWaalsContact O-CG2 3.23Å; I268-V272 WeakPolarHBondContact O-CG2 3.42Å; C269-V272 PolarHBondContact O-N 2.88Å; V272-L275 PolarHBondContact O-N 2.97Å; V272-S276 WeakPolarHBondContact O-CB 3.48Å; V272-S276 PolarHBondContact O-N 3.24Å; V272-L494 HydrophobicContact CB-CD2 4.49Å; V272-L494 HydrophobicContact CG1-CD2 4.09Å; V272-L494 HydrophobicContact CG2-CD2 4.19Å
273G82.3Confident80.9Confident0 Ų031.9 Ų31.90%017%0.172CC..Hα-helixtrans-65.1-46.817700000111.9C269 T270 P271 L275 S276 I277C269-G273 WeakPolarHBondContact O-CA 3.11Å; C269-G273 PolarHBondContact O-N 2.66Å; T270-G273 PolarHBondContact O-N 2.69Å; P271-G273 VanDerWaalsContact C-N 3.32Å; G273-L275 VanDerWaalsContact C-N 3.35Å; G273-L275 PolarHBondContact O-N 2.86Å; G273-S276 PolarHBondContact O-N 3.33Å; G273-I277 WeakPolarHBondContact O-CB 3.12Å; G273-I277 VanDerWaalsContact O-CG1 3.27Å; G273-I277 WeakPolarHBondContact O-CG1 3.48Å; G273-I277 PolarHBondContact O-N 2.77Å
274L80.9Confident80.3Confident16 Ų1633.5 Ų33.58%0.08418%0.181CC..Hα-helixtrans-56.8-50173.9-174.777.5000111.1T270 P271 S276 I277 V278 F406 F482 L486T270-L274 PolarHBondContact O-N 3.5Å; P271-L274 PolarHBondContact O-N 3.5Å; L274-S276 VanDerWaalsContact C-N 3.35Å; L274-S276 PolarHBondContact O-N 3.33Å; L274-I277 PolarHBondContact O-N 3.26Å; L274-V278 WeakPolarHBondContact O-CB 3.07Å; L274-V278 VanDerWaalsContact O-CG2 3.23Å; L274-V278 WeakPolarHBondContact O-CG2 3.4Å; L274-V278 PolarHBondContact O-N 3.49Å; L274-F406 HydrophobicContact CD1-CB 4.17Å; L274-F406 HydrophobicContact CD1-CD2 3.74Å; L274-F406 HydrophobicContact CD1-CE2 4.35Å; L274-F406 HydrophobicContact CD1-CG 3.94Å; L274-F406 HydrophobicContact CD2-CD1 4.23Å; L274-F406 HydrophobicContact CD2-CD2 3.53Å; L274-F406 HydrophobicContact CD2-CE1 3.99Å; L274-F406 HydrophobicContact CD2-CE2 3.26Å; L274-F406 HydrophobicContact CD2-CG 4Å; L274-F406 HydrophobicContact CD2-CZ 3.49Å; L274-F406 VanDerWaalsContact CD2-CZ 3.49Å; L274-F406 HydrophobicContact CG-CD2 4.26Å; L274-F406 HydrophobicContact CG-CE2 4.4Å; L274-F482 HydrophobicContact CD1-CZ 4.22Å; L274-L486 HydrophobicContact CB-CD2 4.24Å; L274-L486 HydrophobicContact CD1-CD1 4.4Å; L274-L486 HydrophobicContact CD1-CD2 4.12Å
275L79Confident79.3Confident29 Ų2929.6 Ų29.615%0.15216%0.162CC..Hα-helixtrans-59.5-46.5178.5-179.262.8000111.9P271 V272 G273 V278 L279 I677 R681P271-L275 PolarHBondContact O-N 2.93Å; V272-L275 PolarHBondContact O-N 2.97Å; G273-L275 VanDerWaalsContact C-N 3.35Å; G273-L275 PolarHBondContact O-N 2.86Å; L275-V278 PolarHBondContact O-N 3.41Å; L275-L279 HydrophobicContact CD1-CD1 3.82Å; L275-L279 HydrophobicContact CD1-CG 4Å; L275-L279 HydrophobicContact CD2-CD1 4.42Å; L275-L279 HydrophobicContact CG-CD1 3.81Å; L275-L279 HydrophobicContact CG-CG 4.34Å; L275-L279 VanDerWaalsContact O-CB 3.3Å; L275-L279 WeakPolarHBondContact O-CB 3.29Å; L275-L279 VanDerWaalsContact O-CG 3.23Å; L275-L279 WeakPolarHBondContact O-CG 3.24Å; L275-L279 PolarHBondContact O-N 2.7Å; L275-I677 HydrophobicContact CB-CG2 3.62Å; L275-I677 HydrophobicContact CD1-CG2 3.7Å; L275-I677 HydrophobicContact CD2-CG2 3.8Å; L275-I677 HydrophobicContact CG-CG2 3.87Å; L275-R681 HydrophobicContact CD1-CB 3.47Å; L275-R681 VanDerWaalsContact CD1-CB 3.47Å; L275-R681 HydrophobicContact CD1-CG 3.69Å; L275-R681 HydrophobicContact CD2-CG 4.1Å
276S82Confident78.4Confident25 Ų2531.1 Ų31.118%0.17517%0.17CC..Hα-helixtrans-65.2-42.6-177.7-174.80000112.1V272 G273 L274 N280 W489 S493V272-S276 WeakPolarHBondContact O-CB 3.48Å; V272-S276 PolarHBondContact O-N 3.24Å; G273-S276 PolarHBondContact O-N 3.33Å; L274-S276 VanDerWaalsContact C-N 3.35Å; L274-S276 PolarHBondContact O-N 3.33Å; S276-N280 WeakPolarHBondContact O-CB 3.31Å; S276-N280 PolarHBondContact O-N 3.49Å; S276-W489 PolarHBondContact OG-NE1 2.87Å; S276-S493 VanDerWaalsContact CB-OG 3.24Å; S276-S493 WeakPolarHBondContact CB-OG 3.09Å; S276-S493 WeakPolarHBondContact OG-CB 3.39Å; S276-S493 PolarHBondContact OG-OG 3.47Å
277I81.2Confident77.4Confident18 Ų1838.6 Ų38.69%0.09220%0.204CC..Hα-helixtrans-65.3-47.8176.6-68.7165.2000110.2G273 L274 N280 L281 L402 L486 W489G273-I277 WeakPolarHBondContact O-CB 3.12Å; G273-I277 VanDerWaalsContact O-CG1 3.27Å; G273-I277 WeakPolarHBondContact O-CG1 3.48Å; G273-I277 PolarHBondContact O-N 2.77Å; L274-I277 PolarHBondContact O-N 3.26Å; I277-N280 PolarHBondContact O-N 2.9Å; I277-L281 HydrophobicContact CG2-CD1 3.69Å; I277-L281 HydrophobicContact CG2-CG 4.25Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 VanDerWaalsContact O-CG 3.3Å; I277-L281 WeakPolarHBondContact O-CG 3.32Å; I277-L281 PolarHBondContact O-N 3.5Å; I277-L402 HydrophobicContact CB-CD2 4.46Å; I277-L402 HydrophobicContact CG2-CD1 4.09Å; I277-L402 HydrophobicContact CG2-CD2 3.67Å; I277-L486 HydrophobicContact CD1-CD2 3.64Å; I277-W489 HydrophobicContact CD1-CB 3.77Å; I277-W489 HydrophobicContact CD1-CD2 4.19Å; I277-W489 HydrophobicContact CD1-CG 3.71Å; I277-W489 HydrophobicContact CG1-CB 4.05Å; I277-W489 HydrophobicContact CG1-CD2 3.61Å; I277-W489 HydrophobicContact CG1-CE3 4.39Å; I277-W489 HydrophobicContact CG1-CG 3.4Å; I277-W489 VanDerWaalsContact CG1-CG 3.4Å
278V76.8Confident76.4Confident20 Ų2037.2 Ų37.212%0.12120%0.202CC..Hα-helixtrans-60.7-48.9179.2170.70000110.6L274 L275 N280 L281 I282 L402 L682L274-V278 WeakPolarHBondContact O-CB 3.07Å; L274-V278 VanDerWaalsContact O-CG2 3.23Å; L274-V278 WeakPolarHBondContact O-CG2 3.4Å; L274-V278 PolarHBondContact O-N 3.49Å; L275-V278 PolarHBondContact O-N 3.41Å; V278-N280 PolarHBondContact O-N 3.48Å; V278-L281 PolarHBondContact O-N 2.89Å; V278-I282 HydrophobicContact CG1-CD1 3.65Å; V278-I282 HydrophobicContact CG1-CG1 4.45Å; V278-I282 WeakPolarHBondContact O-CB 3.38Å; V278-I282 WeakPolarHBondContact O-CD1 3.3Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 3.32Å; V278-L402 HydrophobicContact CG2-CD2 3.63Å; V278-L682 HydrophobicContact CG1-CD1 4.37Å; V278-L682 HydrophobicContact CG1-CD2 4.29Å; V278-L682 HydrophobicContact CG1-CG 4.35Å
279L77.4Confident75.3Confident55 Ų5536.6 Ų36.629%0.28820%0.199SC..Hα-helixtrans-61.8-43.5177.6-72.8175.5000111.8L275 I282 T283L275-L279 HydrophobicContact CD1-CD1 3.82Å; L275-L279 HydrophobicContact CD1-CG 4Å; L275-L279 HydrophobicContact CD2-CD1 4.42Å; L275-L279 HydrophobicContact CG-CD1 3.81Å; L275-L279 HydrophobicContact CG-CG 4.34Å; L275-L279 VanDerWaalsContact O-CB 3.3Å; L275-L279 WeakPolarHBondContact O-CB 3.29Å; L275-L279 VanDerWaalsContact O-CG 3.23Å; L275-L279 WeakPolarHBondContact O-CG 3.24Å; L275-L279 PolarHBondContact O-N 2.7Å; L279-I282 PolarHBondContact O-N 3.05Å; L279-T283 WeakPolarHBondContact O-CB 3.46Å; L279-T283 PolarHBondContact O-N 3.39Å; L279-T283 PolarHBondContact O-OG1 3.36Å
280N77.2Confident73.9Confident63 Ų6339.8 Ų39.834%0.33722%0.22SC..Hα-helixtrans-66.9-41179.7-169.736000111.9S276 I277 V278 I282 T283 I284 W489S276-N280 WeakPolarHBondContact O-CB 3.31Å; S276-N280 PolarHBondContact O-N 3.49Å; I277-N280 PolarHBondContact O-N 2.9Å; V278-N280 PolarHBondContact O-N 3.48Å; N280-I282 VanDerWaalsContact C-N 3.34Å; N280-T283 PolarHBondContact O-N 3.37Å; N280-I284 WeakPolarHBondContact O-CB 3.39Å; N280-I284 WeakPolarHBondContact O-CD1 3.43Å; N280-I284 WeakPolarHBondContact O-CG1 3.37Å; N280-I284 PolarHBondContact O-N 3.42Å; N280-W489 HydrophobicContact CB-CZ2 4.41Å; N280-W489 WeakPolarHBondContact ND2-CZ2 3.25Å
281L75.4Confident72.4Confident27 Ų2746.3 Ų46.314%0.14125%0.254CS..Hα-helixtrans-63.3-40.7174.2-75.1171.3000111.5I277 V278 I284 S285 Y395 L399 L402I277-L281 HydrophobicContact CG2-CD1 3.69Å; I277-L281 HydrophobicContact CG2-CG 4.25Å; I277-L281 WeakPolarHBondContact O-CB 3.49Å; I277-L281 VanDerWaalsContact O-CG 3.3Å; I277-L281 WeakPolarHBondContact O-CG 3.32Å; I277-L281 PolarHBondContact O-N 3.5Å; V278-L281 PolarHBondContact O-N 2.89Å; L281-I284 PolarHBondContact O-N 3.36Å; L281-S285 WeakPolarHBondContact O-CB 3.42Å; L281-S285 PolarHBondContact O-N 3.31Å; L281-S285 PolarHBondContact O-OG 3.49Å; L281-Y395 HydrophobicContact CD2-CD1 3.98Å; L281-L399 HydrophobicContact CB-CD1 3.92Å; L281-L399 HydrophobicContact CD1-CD1 3.97Å; L281-L402 HydrophobicContact CD1-CD2 4.17Å
282I71Confident71Confident13 Ų1349 Ų497%0.06727%0.267CS..Hα-helixtrans-61.8-50.8173.3-70.8166.1000110.1V278 L279 N280 I284 S285 I286 A685 I689V278-I282 HydrophobicContact CG1-CD1 3.65Å; V278-I282 HydrophobicContact CG1-CG1 4.45Å; V278-I282 WeakPolarHBondContact O-CB 3.38Å; V278-I282 WeakPolarHBondContact O-CD1 3.3Å; V278-I282 WeakPolarHBondContact O-CG1 3.44Å; V278-I282 PolarHBondContact O-N 3.32Å; L279-I282 PolarHBondContact O-N 3.05Å; N280-I282 VanDerWaalsContact C-N 3.34Å; I282-I284 VanDerWaalsContact C-N 3.32Å; I282-I284 PolarHBondContact O-N 2.94Å; I282-S285 WeakPolarHBondContact CA-OG 3.32Å; I282-S285 PolarHBondContact O-N 2.65Å; I282-S285 VanDerWaalsContact O-N 3.12Å; I282-S285 PolarHBondContact O-OG 3.39Å; I282-I286 HydrophobicContact CG2-CD1 3.76Å; I282-I286 HydrophobicContact CG2-CG1 4.46Å; I282-I286 WeakPolarHBondContact O-CG1 3.24Å; I282-I286 PolarHBondContact O-N 3.21Å; I282-A685 HydrophobicContact CD1-CB 4.31Å; I282-I689 HydrophobicContact CD1-CD1 4.12Å; I282-I689 HydrophobicContact CG1-CD1 4.11Å; I282-I689 HydrophobicContact CG2-CD1 3.7Å; I282-I689 HydrophobicContact CG2-CG1 4.12Å
283T73.8Confident69.3Low66 Ų6651.8 Ų51.841%0.40529%0.285SS..Hα-helixtrans-58.9-42.2178.8-62.10000112L279 N280 I286 H287L279-T283 WeakPolarHBondContact O-CB 3.46Å; L279-T283 PolarHBondContact O-N 3.39Å; L279-T283 PolarHBondContact O-OG1 3.36Å; N280-T283 PolarHBondContact O-N 3.37Å; T283-I286 PolarHBondContact O-N 2.87Å; T283-H287 WeakPolarHBondContact O-CB 3.31Å; T283-H287 PolarHBondContact O-CD2 3.12Å; T283-H287 PolarHBondContact O-N 2.85Å
284I71.5Confident67.8Low50 Ų5055.7 Ų55.726%0.25631%0.31SS..Hα-helixtrans-65.8-42.7175.8-68.3164.4000110.4N280 L281 I282 I286 H287 S288 Y395N280-I284 WeakPolarHBondContact O-CB 3.39Å; N280-I284 WeakPolarHBondContact O-CD1 3.43Å; N280-I284 WeakPolarHBondContact O-CG1 3.37Å; N280-I284 PolarHBondContact O-N 3.42Å; L281-I284 PolarHBondContact O-N 3.36Å; I282-I284 VanDerWaalsContact C-N 3.32Å; I282-I284 PolarHBondContact O-N 2.94Å; I284-I286 VanDerWaalsContact C-N 3.3Å; I284-I286 PolarHBondContact O-N 3.37Å; I284-H287 PolarHBondContact O-N 3.45Å; I284-S288 WeakPolarHBondContact O-CB 3.43Å; I284-S288 PolarHBondContact O-N 2.93Å; I284-S288 PolarHBondContact O-OG 2.86Å; I284-S288 VanDerWaalsContact O-OG 3.11Å; I284-Y395 HydrophobicContact CG2-CD1 4.14Å; I284-Y395 HydrophobicContact CG2-CD2 3.94Å; I284-Y395 HydrophobicContact CG2-CE1 3.78Å; I284-Y395 HydrophobicContact CG2-CE2 3.56Å; I284-Y395 HydrophobicContact CG2-CG 4.23Å; I284-Y395 VanDerWaalsContact CG2-CZ 3.48Å
285S67.1Low66.5Low20 Ų2059.4 Ų59.414%0.1433%0.326CS..Hα-helixtrans-60.6-39.9177.872.30000112L281 I282 S288L281-S285 WeakPolarHBondContact O-CB 3.42Å; L281-S285 PolarHBondContact O-N 3.31Å; L281-S285 PolarHBondContact O-OG 3.49Å; I282-S285 WeakPolarHBondContact CA-OG 3.32Å; I282-S285 PolarHBondContact O-N 2.65Å; I282-S285 VanDerWaalsContact O-N 3.12Å; I282-S285 PolarHBondContact O-OG 3.39Å; S285-S288 WeakPolarHBondContact CA-OG 3.34Å; S285-S288 PolarHBondContact O-N 3.42Å; S285-S288 PolarHBondContact O-OG 2.97Å
286I67.2Low65.4Low67 Ų6764.5 Ų64.534%0.34435%0.349SS..Hα-helixtrans-68.3-43.7175.4-63.7165.6000110.6I282 T283 I284 S288 L289I282-I286 HydrophobicContact CG2-CD1 3.76Å; I282-I286 HydrophobicContact CG2-CG1 4.46Å; I282-I286 WeakPolarHBondContact O-CG1 3.24Å; I282-I286 PolarHBondContact O-N 3.21Å; T283-I286 PolarHBondContact O-N 2.87Å; I284-I286 VanDerWaalsContact C-N 3.3Å; I284-I286 PolarHBondContact O-N 3.37Å; I286-S288 VanDerWaalsContact C-N 3.29Å; I286-S288 PolarHBondContact O-N 3.34Å; I286-L289 WeakPolarHBondContact O-CB 3.44Å; I286-L289 PolarHBondContact O-N 3.43Å
287H65Low64.4Low156 Ų15668 Ų6872%0.72237%0.37SS*.Hα-helixtrans-69.9-24.8178.1-88.5-60.8000114T283 I284 L289T283-H287 WeakPolarHBondContact O-CB 3.31Å; T283-H287 PolarHBondContact O-CD2 3.12Å; T283-H287 PolarHBondContact O-N 2.85Å; I284-H287 PolarHBondContact O-N 3.45Å; H287-L289 PolarHBondContact O-N 2.84Å
288S62Low63.5Low28 Ų2870.5 Ų70.520%0.19638%0.383CS..THydrogen-bonded Turntrans-79.9-2.8175.163.90000113.6I284 S285 I286 L392I284-S288 WeakPolarHBondContact O-CB 3.43Å; I284-S288 PolarHBondContact O-N 2.93Å; I284-S288 PolarHBondContact O-OG 2.86Å; I284-S288 VanDerWaalsContact O-OG 3.11Å; S285-S288 WeakPolarHBondContact CA-OG 3.34Å; S285-S288 PolarHBondContact O-N 3.42Å; S285-S288 PolarHBondContact O-OG 2.97Å; I286-S288 VanDerWaalsContact C-N 3.29Å; I286-S288 PolarHBondContact O-N 3.34Å; S288-L392 WeakPolarHBondContact OG-CD1 3.43Å
289L60.5Low63Low61 Ų6173.1 Ų73.132%0.31939%0.393SS..SBendtrans-64.5134.9167.7-107.566.7000109.2I286 H287 N291 L392 T696I286-L289 WeakPolarHBondContact O-CB 3.44Å; I286-L289 PolarHBondContact O-N 3.43Å; H287-L289 PolarHBondContact O-N 2.84Å; L289-N291 PolarHBondContact O-N 2.95Å; L289-N291 VanDerWaalsContact O-N 3.09Å; L289-L392 HydrophobicContact CD1-CD1 4.47Å; L289-T696 HydrophobicContact CD2-CG2 3.82Å; L289-T696 VanDerWaalsContact CD2-OG1 3.31Å; L289-T696 WeakPolarHBondContact CD2-OG1 3.3Å; L289-T696 HydrophobicContact CG-CG2 4.5Å
290P55.8Low62.6Low67 Ų6774.9 Ų74.944%0.43540%0.403SS..  trans-59.7119.1-178.322.2-31.8000109.8L292P290-L292 PolarHBondContact O-N 3.34Å
291N51.6Low62.4Low138 Ų13876.9 Ų76.974%0.73841%0.406SS*.  trans-59105.1166.9-97.2-25.9000107.7L289 T293 P294L289-N291 PolarHBondContact O-N 2.95Å; L289-N291 VanDerWaalsContact O-N 3.09Å; N291-T293 PolarHBondContact O-N 3.28Å; N291-P294 WeakPolarHBondContact O-CD 3.44Å
292L50.7Low62.3Low70 Ų7077 Ų7737%0.36641%0.406SS..  trans-77.5-0.3-178.2-80.9144.8000113.4P290 K295 L703P290-L292 PolarHBondContact O-N 3.34Å; L292-K295 HydrophobicContact CD2-CB 4.27Å; L292-K295 HydrophobicContact CD2-CD 3.47Å; L292-K295 VanDerWaalsContact CD2-CD 3.47Å; L292-K295 VanDerWaalsContact O-CB 3.23Å; L292-K295 WeakPolarHBondContact O-CB 3.34Å; L292-K295 PolarHBondContact O-N 3.1Å; L292-L703 HydrophobicContact CD2-CD1 4.27Å
293T46.9Very low62.6Low99 Ų9981.5 Ų81.561%0.60743%0.427SS*.Hα-helixtrans-56.3-36.8-179.953.90000115.5N291 K295N291-T293 PolarHBondContact O-N 3.28Å; T293-K295 VanDerWaalsContact C-N 3.27Å; T293-K295 PolarHBondContact O-N 3.34Å
294P50.6Low62.9Low82 Ų8282.7 Ų82.753%0.53243%0.428SS..Hα-helixtrans-76.7-13.6174.831.7-32.2000113N291 T297N291-P294 WeakPolarHBondContact O-CD 3.44Å; P294-T297 PolarHBondContact O-OG1 3.44Å; P294-T297 VanDerWaalsContact O-OG1 3.07Å
295K53.1Low63.2Low93 Ų9380.4 Ų80.440%0.40442%0.416SS..Hα-helixtrans-75.5-31.7178.8-156.6176.1-177.4179.20111.2L292 T293 H299L292-K295 HydrophobicContact CD2-CB 4.27Å; L292-K295 HydrophobicContact CD2-CD 3.47Å; L292-K295 VanDerWaalsContact CD2-CD 3.47Å; L292-K295 VanDerWaalsContact O-CB 3.23Å; L292-K295 WeakPolarHBondContact O-CB 3.34Å; L292-K295 PolarHBondContact O-N 3.1Å; T293-K295 VanDerWaalsContact C-N 3.27Å; T293-K295 PolarHBondContact O-N 3.34Å; K295-H299 WeakPolarHBondContact O-CB 3.02Å; K295-H299 PolarHBondContact O-N 2.71Å
296Q55.8Low63.7Low137 Ų13783.3 Ų83.364%0.6443%0.43SS*.Hα-helixtrans-72.4-39.7-178.8-155.6158.64.800112.3L298 H299 N300Q296-L298 VanDerWaalsContact C-N 3.33Å; Q296-L298 PolarHBondContact O-N 3.26Å; Q296-H299 PolarHBondContact O-N 3Å; Q296-N300 WeakPolarHBondContact O-CB 3.41Å; Q296-N300 PolarHBondContact O-N 2.94Å; Q296-N300 PolarHBondContact O-OD1 3.16Å
297T60.9Low64.3Low99 Ų9987 Ų8761%0.60744%0.444SS*.Hα-helixtrans-65.6-37.8175.9580000112.2P294 R301P294-T297 PolarHBondContact O-OG1 3.44Å; P294-T297 VanDerWaalsContact O-OG1 3.07Å; T297-R301 PolarHBondContact O-N 2.88Å
298L63.4Low65Low70 Ų7082.9 Ų82.937%0.36643%0.425SS..Hα-helixtrans-75.2-35.3179.1-163.168.1000112.2Q296 R301 I302 I373 I377Q296-L298 VanDerWaalsContact C-N 3.33Å; Q296-L298 PolarHBondContact O-N 3.26Å; L298-R301 PolarHBondContact O-N 3.19Å; L298-I302 WeakPolarHBondContact O-CG1 3.32Å; L298-I302 PolarHBondContact O-N 3.09Å; L298-I302 VanDerWaalsContact O-N 3.12Å; L298-I373 HydrophobicContact CD1-CG2 4.05Å; L298-I373 HydrophobicContact CG-CG2 4.26Å; L298-I377 HydrophobicContact CD2-CD1 3.45Å; L298-I377 VanDerWaalsContact CD2-CD1 3.45Å; L298-I377 HydrophobicContact CD2-CG1 3.31Å; L298-I377 HydrophobicContact CG-CD1 4.01Å; L298-I377 HydrophobicContact CG-CG1 4.35Å
299H66.7Low65.7Low75 Ų7582 Ų8235%0.34742%0.42SS..Hα-helixtrans-67.1-44.6173.8-159.460.2000111.5K295 Q296 R301 I302 E303K295-H299 WeakPolarHBondContact O-CB 3.02Å; K295-H299 PolarHBondContact O-N 2.71Å; Q296-H299 PolarHBondContact O-N 3Å; H299-R301 PolarHBondContact O-N 3.3Å; H299-I302 PolarHBondContact O-N 3.33Å; H299-E303 IonicContact CD2-OE1 2.75Å; H299-E303 IonicContact NE2-OE1 3.71Å; H299-E303 PolarHBondContact O-N 3.34Å
300N69.2Low66.6Low91 Ų9184 Ų8449%0.48743%0.43SS..Hα-helixtrans-56-35.9173.1-69.74.7000111.7Q296 Q304Q296-N300 WeakPolarHBondContact O-CB 3.41Å; Q296-N300 PolarHBondContact O-N 2.94Å; Q296-N300 PolarHBondContact O-OD1 3.16Å; N300-Q304 WeakPolarHBondContact O-CB 3.3Å; N300-Q304 PolarHBondContact O-N 2.92Å
301R72.5Confident67.6Low106 Ų10683.4 Ų83.440%0.443%0.425SS..Hα-helixtrans-69.5-37.7176.3-170.760179177.74.6112.8T297 L298 H299 L305T297-R301 PolarHBondContact O-N 2.88Å; L298-R301 PolarHBondContact O-N 3.19Å; H299-R301 PolarHBondContact O-N 3.3Å; R301-L305 HydrophobicContact CG-CD1 4.19Å; R301-L305 WeakPolarHBondContact O-CB 3.3Å; R301-L305 WeakPolarHBondContact O-CD1 3.37Å; R301-L305 WeakPolarHBondContact O-CG 3.36Å; R301-L305 PolarHBondContact O-N 2.9Å
302I74Confident69Low29 Ų2976.9 Ų76.915%0.14939%0.39CS..Hα-helixtrans-67-42.8174.6-67.4168.4000110.5L298 H299 L305 N306 I373 I377L298-I302 WeakPolarHBondContact O-CG1 3.32Å; L298-I302 PolarHBondContact O-N 3.09Å; L298-I302 VanDerWaalsContact O-N 3.12Å; H299-I302 PolarHBondContact O-N 3.33Å; I302-L305 PolarHBondContact O-N 3.23Å; I302-N306 WeakPolarHBondContact O-CB 3.32Å; I302-N306 PolarHBondContact O-N 3.48Å; I302-I373 HydrophobicContact CD1-CG2 4.03Å; I302-I373 HydrophobicContact CG1-CG2 3.95Å; I302-I377 HydrophobicContact CD1-CD1 3.68Å
303E75.5Confident70.3Confident108 Ų10877.9 Ų77.951%0.50539%0.394SS..Hα-helixtrans-61.6-43.7175.7-72.1-175.2161.800111.7H299 L305 N306 F307H299-E303 IonicContact CD2-OE1 2.75Å; H299-E303 IonicContact NE2-OE1 3.71Å; H299-E303 PolarHBondContact O-N 3.34Å; E303-L305 PolarHBondContact O-N 3.02Å; E303-N306 PolarHBondContact O-N 3.27Å; E303-F307 WeakPolarHBondContact O-CB 3.01Å; E303-F307 PolarHBondContact O-N 2.8Å
304Q80.1Confident71.7Confident91 Ų9177.3 Ų77.343%0.42539%0.388SS..Hα-helixtrans-59.2-47.1174.9-175.7-178.8-0.200111.9N300 F307 E308N300-Q304 WeakPolarHBondContact O-CB 3.3Å; N300-Q304 PolarHBondContact O-N 2.92Å; Q304-F307 PolarHBondContact O-N 3.46Å; Q304-E308 PolarHBondContact NE2-OE1 2.88Å; Q304-E308 WeakPolarHBondContact O-CG 3.5Å; Q304-E308 PolarHBondContact O-N 3.36Å
305L78.1Confident72.9Confident2 Ų276 Ų761%0.0138%0.376CS..Hα-helixtrans-65.2-39.4178.5-77.7160.6000112.3R301 I302 E303 E308 A309 L366 E369 V370 I373R301-L305 HydrophobicContact CG-CD1 4.19Å; R301-L305 WeakPolarHBondContact O-CB 3.3Å; R301-L305 WeakPolarHBondContact O-CD1 3.37Å; R301-L305 WeakPolarHBondContact O-CG 3.36Å; R301-L305 PolarHBondContact O-N 2.9Å; I302-L305 PolarHBondContact O-N 3.23Å; E303-L305 PolarHBondContact O-N 3.02Å; L305-E308 PolarHBondContact O-N 3.45Å; L305-A309 WeakPolarHBondContact O-CB 3.33Å; L305-A309 PolarHBondContact O-N 2.72Å; L305-L366 HydrophobicContact CD2-CD2 3.82Å; L305-L366 WeakPolarHBondContact O-CD2 3.45Å; L305-E369 WeakPolarHBondContact CD2-OE2 3.43Å; L305-V370 HydrophobicContact CB-CG2 3.81Å; L305-V370 HydrophobicContact CD1-CG2 4.41Å; L305-I373 HydrophobicContact CD1-CD1 3.51Å
306N78.4Confident74.1Confident81 Ų8172.3 Ų72.343%0.43336%0.361SS..Hα-helixtrans-66.2-38.7175.8-77.5-19.7000111.9I302 E303 A309 L310I302-N306 WeakPolarHBondContact O-CB 3.32Å; I302-N306 PolarHBondContact O-N 3.48Å; E303-N306 PolarHBondContact O-N 3.27Å; N306-A309 PolarHBondContact O-N 3Å; N306-L310 PolarHBondContact O-N 3.47Å
307F80.2Confident75.1Confident143 Ų14369.3 Ų69.363%0.62735%0.349SS*.Hα-helixtrans-64.2-44.1174.1-175.7-96.5000111.3E303 Q304 A309 L310 T311E303-F307 WeakPolarHBondContact O-CB 3.01Å; E303-F307 PolarHBondContact O-N 2.8Å; Q304-F307 PolarHBondContact O-N 3.46Å; F307-A309 VanDerWaalsContact C-N 3.3Å; F307-A309 PolarHBondContact O-N 3.27Å; F307-L310 PolarHBondContact O-N 3.23Å; F307-T311 HydrophobicContact CD1-CG2 4.25Å; F307-T311 HydrophobicContact CE1-CG2 3.89Å; F307-T311 HydrophobicContact CZ-CG2 4.14Å; F307-T311 WeakPolarHBondContact O-CG2 3.46Å; F307-T311 PolarHBondContact O-N 3.09Å; F307-T311 PolarHBondContact O-OG1 3.04Å
308E78.9Confident75.6Confident71 Ų7167.9 Ų67.933%0.33234%0.342SS..Hα-helixtrans-60.5-37.9173.4-75178.5-160.500112.1Q304 L305 T311 V312 L366Q304-E308 PolarHBondContact NE2-OE1 2.88Å; Q304-E308 WeakPolarHBondContact O-CG 3.5Å; Q304-E308 PolarHBondContact O-N 3.36Å; L305-E308 PolarHBondContact O-N 3.45Å; E308-T311 PolarHBondContact O-OG1 3.26Å; E308-V312 WeakPolarHBondContact O-CG2 3.29Å; E308-V312 PolarHBondContact O-N 2.98Å; E308-L366 HydrophobicContact CB-CD2 3.58Å
309A77.9Confident75.9Confident10 Ų1064.8 Ų64.88%0.08333%0.326CS..Hα-helixtrans-67.4-39.2174.900000112.6L305 N306 F307 V312 M313 L363 L366L305-A309 WeakPolarHBondContact O-CB 3.33Å; L305-A309 PolarHBondContact O-N 2.72Å; N306-A309 PolarHBondContact O-N 3Å; F307-A309 VanDerWaalsContact C-N 3.3Å; F307-A309 PolarHBondContact O-N 3.27Å; A309-V312 PolarHBondContact O-N 3.31Å; A309-M313 PolarHBondContact O-N 2.88Å; A309-L363 HydrophobicContact CB-CD1 4.05Å; A309-L366 HydrophobicContact CB-CB 4.49Å
310L77.9Confident76.1Confident103 Ų10365.7 Ų65.754%0.53933%0.331SS..Hα-helixtrans-65.2-45.1178.4-152.198000111.6N306 F307 V312 M313 D314N306-L310 PolarHBondContact O-N 3.47Å; F307-L310 PolarHBondContact O-N 3.23Å; L310-V312 VanDerWaalsContact C-N 3.3Å; L310-V312 PolarHBondContact O-N 3.44Å; L310-M313 WeakPolarHBondContact O-CB 3.46Å; L310-M313 PolarHBondContact O-N 3.37Å; L310-D314 PolarHBondContact O-N 3.06Å
311T78.2Confident76.2Confident54 Ų5467 Ų6733%0.33134%0.337SS..Hα-helixtrans-61.5-38.3176.857.10000112.3F307 E308 M313 D314 D315F307-T311 HydrophobicContact CD1-CG2 4.25Å; F307-T311 HydrophobicContact CE1-CG2 3.89Å; F307-T311 HydrophobicContact CZ-CG2 4.14Å; F307-T311 WeakPolarHBondContact O-CG2 3.46Å; F307-T311 PolarHBondContact O-N 3.09Å; F307-T311 PolarHBondContact O-OG1 3.04Å; E308-T311 PolarHBondContact O-OG1 3.26Å; T311-M313 VanDerWaalsContact C-N 3.33Å; T311-D314 PolarHBondContact O-N 3.32Å; T311-D315 PolarHBondContact O-N 2.76Å
312V79.7Confident75.8Confident1 Ų163.9 Ų63.91%0.00633%0.328CS..Hα-helixtrans-66.3-36.2174166.70000111.6E308 A309 L310 D315 I316 Y359 K362 L363 L366E308-V312 WeakPolarHBondContact O-CG2 3.29Å; E308-V312 PolarHBondContact O-N 2.98Å; A309-V312 PolarHBondContact O-N 3.31Å; L310-V312 VanDerWaalsContact C-N 3.3Å; L310-V312 PolarHBondContact O-N 3.44Å; V312-D315 PolarHBondContact O-N 3.3Å; V312-I316 HydrophobicContact CG1-CD1 4.14Å; V312-I316 VanDerWaalsContact O-CG1 3.28Å; V312-I316 WeakPolarHBondContact O-CG1 3.48Å; V312-I316 PolarHBondContact O-N 2.95Å; V312-Y359 HydrophobicContact CG1-CD1 4.11Å; V312-K362 HydrophobicContact CG2-CD 3.82Å; V312-K362 HydrophobicContact CG2-CG 4.22Å; V312-L363 HydrophobicContact CG1-CB 3.89Å; V312-L363 HydrophobicContact CG1-CD1 4.24Å; V312-L366 HydrophobicContact CG2-CD1 4.4Å
313M78.5Confident75.4Confident90 Ų9064.9 Ų64.944%0.44334%0.337SS..Hα-helixtrans-68.3-40.7176.8-168.3173.8-67.500111.8A309 L310 T311 I316 N317 L363A309-M313 PolarHBondContact O-N 2.88Å; L310-M313 WeakPolarHBondContact O-CB 3.46Å; L310-M313 PolarHBondContact O-N 3.37Å; T311-M313 VanDerWaalsContact C-N 3.33Å; M313-I316 PolarHBondContact O-N 3.49Å; M313-N317 PolarHBondContact O-N 2.86Å; M313-N317 PolarHBondContact O-ND2 2.88Å; M313-L363 HydrophobicContact CE-CD2 4.25Å
314D77Confident74.9Confident88 Ų8864.7 Ų64.747%0.47134%0.343SS..Hα-helixtrans-62.5-42.6173.2-72.8-20.3000111.4L310 T311 I316 N317 C318L310-D314 PolarHBondContact O-N 3.06Å; T311-D314 PolarHBondContact O-N 3.32Å; D314-I316 VanDerWaalsContact C-N 3.33Å; D314-I316 PolarHBondContact O-N 3.36Å; D314-N317 PolarHBondContact O-N 3.43Å; D314-C318 PolarHBondContact O-N 3.45Å
315D75.1Confident73.8Confident53 Ų5364.3 Ų64.328%0.28335%0.347SS..Hα-helixtrans-58.5-44173.6-78.9-8000111.5T311 V312 C318 V319 Y359T311-D315 PolarHBondContact O-N 2.76Å; V312-D315 PolarHBondContact O-N 3.3Å; D315-C318 PolarHBondContact O-N 2.82Å; D315-V319 VanDerWaalsContact O-CG2 3.27Å; D315-V319 WeakPolarHBondContact O-CG2 3.46Å; D315-V319 PolarHBondContact O-N 3.26Å; D315-Y359 HydrophobicContact CB-CD1 4.02Å; D315-Y359 HydrophobicContact CB-CE1 3.51Å; D315-Y359 HydrophobicContact CB-CE2 4.31Å; D315-Y359 WeakPolarHBondContact OD2-CE1 3.42Å; D315-Y359 VanDerWaalsContact OD2-CZ 3.23Å; D315-Y359 PolarHBondContact OD2-OH 2.96Å
316I77.8Confident72.5Confident17 Ų1770.8 Ų70.89%0.08738%0.382CS..Hα-helixtrans-61.1-45.5176.1-69.2165.4000110.8V312 M313 D314 C318 V319 Q320 L356 Y359 L363V312-I316 HydrophobicContact CG1-CD1 4.14Å; V312-I316 VanDerWaalsContact O-CG1 3.28Å; V312-I316 WeakPolarHBondContact O-CG1 3.48Å; V312-I316 PolarHBondContact O-N 2.95Å; M313-I316 PolarHBondContact O-N 3.49Å; D314-I316 VanDerWaalsContact C-N 3.33Å; D314-I316 PolarHBondContact O-N 3.36Å; I316-C318 PolarHBondContact O-N 3.18Å; I316-V319 PolarHBondContact O-N 3.04Å; I316-Q320 HydrophobicContact CG2-CG 4.4Å; I316-Q320 WeakPolarHBondContact O-CG 3.48Å; I316-Q320 PolarHBondContact O-N 2.82Å; I316-L356 HydrophobicContact CG2-CD1 4.46Å; I316-Y359 HydrophobicContact CG1-CG 4.36Å; I316-L363 HydrophobicContact CD1-CB 4.47Å; I316-L363 HydrophobicContact CD1-CD2 4.01Å
317N77.2Confident71.1Confident74 Ų7474.3 Ų74.340%0.39640%0.401SS..Hα-helixtrans-62.3-42.3178.8-73-26.9000111.5M313 D314 Q320 L321M313-N317 PolarHBondContact O-N 2.86Å; M313-N317 PolarHBondContact O-ND2 2.88Å; D314-N317 PolarHBondContact O-N 3.43Å; N317-Q320 PolarHBondContact O-N 3.42Å; N317-L321 WeakPolarHBondContact O-CB 3.49Å; N317-L321 PolarHBondContact O-N 3.49Å
318C70.8Confident69.4Low69 Ų6975.9 Ų75.947%0.46641%0.412SS..Hα-helixtrans-60.6-44.3173.9-78.60000112.1D314 D315 I316 Q320 L321 L322 F343D314-C318 PolarHBondContact O-N 3.45Å; D315-C318 PolarHBondContact O-N 2.82Å; I316-C318 PolarHBondContact O-N 3.18Å; C318-Q320 VanDerWaalsContact C-N 3.35Å; C318-Q320 PolarHBondContact O-N 2.99Å; C318-L321 PolarHBondContact O-N 3.3Å; C318-L322 WeakPolarHBondContact O-CD1 3.23Å; C318-L322 WeakPolarHBondContact O-CG 3.24Å; C318-L322 PolarHBondContact O-N 3.49Å; C318-L322 VanDerWaalsContact O-N 3.08Å; C318-F343 HydrophobicContact CB-CZ 4.38Å
319V69.6Low67.6Low5 Ų576.6 Ų76.63%0.0342%0.416CS..Hα-helixtrans-63.8-39.8176.7174.50000111.5D315 I316 L322 C323 F343 L355 L356D315-V319 VanDerWaalsContact O-CG2 3.27Å; D315-V319 WeakPolarHBondContact O-CG2 3.46Å; D315-V319 PolarHBondContact O-N 3.26Å; I316-V319 PolarHBondContact O-N 3.04Å; V319-L322 WeakPolarHBondContact O-CB 3.06Å; V319-L322 PolarHBondContact O-N 3.38Å; V319-C323 PolarHBondContact O-N 2.96Å; V319-C323 VanDerWaalsContact O-N 3.08Å; V319-C323 PolarHBondContact O-SG 3.07Å; V319-F343 HydrophobicContact CG2-CE1 3.63Å; V319-F343 HydrophobicContact CG2-CE2 4.06Å; V319-F343 HydrophobicContact CG2-CZ 3.35Å; V319-L355 HydrophobicContact CB-CD2 4.48Å; V319-L355 HydrophobicContact CG1-CD2 4.1Å; V319-L355 HydrophobicContact CG2-CD2 3.46Å; V319-L355 VanDerWaalsContact CG2-CD2 3.46Å; V319-L355 HydrophobicContact CG2-CG 4.41Å; V319-L356 HydrophobicContact CG1-CD1 4.03Å
320Q72.3Confident66Low94 Ų9484.4 Ų84.444%0.43946%0.457SS..Hα-helixtrans-66.1-41.5176.4-74.8179.4-16.700112.1I316 N317 C318 L322 C323 T324 L356I316-Q320 HydrophobicContact CG2-CG 4.4Å; I316-Q320 WeakPolarHBondContact O-CG 3.48Å; I316-Q320 PolarHBondContact O-N 2.82Å; N317-Q320 PolarHBondContact O-N 3.42Å; C318-Q320 VanDerWaalsContact C-N 3.35Å; C318-Q320 PolarHBondContact O-N 2.99Å; Q320-L322 VanDerWaalsContact C-N 3.27Å; Q320-L322 PolarHBondContact O-N 2.89Å; Q320-C323 WeakPolarHBondContact O-CA 3.46Å; Q320-C323 WeakPolarHBondContact O-CB 3.06Å; Q320-C323 PolarHBondContact O-N 2.94Å; Q320-T324 PolarHBondContact O-N 3.22Å; Q320-L356 HydrophobicContact CG-CD1 3.91Å
321L69.6Low64.7Low118 Ų11884 Ų8462%0.61846%0.455SS*.Hα-helixtrans-60.2-39.6175.5-122.8127.2000111.6N317 C318 C323 T324 T325N317-L321 WeakPolarHBondContact O-CB 3.49Å; N317-L321 PolarHBondContact O-N 3.49Å; C318-L321 PolarHBondContact O-N 3.3Å; L321-C323 VanDerWaalsContact C-N 3.27Å; L321-C323 PolarHBondContact O-N 3.03Å; L321-T324 PolarHBondContact O-N 2.99Å; L321-T324 PolarHBondContact O-OG1 2.82Å; L321-T325 PolarHBondContact O-N 2.96Å; L321-T325 PolarHBondContact O-OG1 3.43Å
322L65.8Low63.6Low40 Ų4090 Ų9021%0.20948%0.48CS..Hα-helixtrans-68-22.6173.3-79.4158.2000114.2C318 V319 Q320 H338 F343C318-L322 WeakPolarHBondContact O-CD1 3.23Å; C318-L322 WeakPolarHBondContact O-CG 3.24Å; C318-L322 PolarHBondContact O-N 3.49Å; C318-L322 VanDerWaalsContact O-N 3.08Å; V319-L322 WeakPolarHBondContact O-CB 3.06Å; V319-L322 PolarHBondContact O-N 3.38Å; Q320-L322 VanDerWaalsContact C-N 3.27Å; Q320-L322 PolarHBondContact O-N 2.89Å; L322-H338 WeakPolarHBondContact CD2-CD2 3.44Å; L322-F343 HydrophobicContact CD1-CE2 3.87Å; L322-F343 HydrophobicContact CD1-CZ 4.34Å
323C65.2Low62.4Low50 Ų5095.5 Ų95.534%0.33851%0.509SS..Hα-helixtrans-81.4-31.1172.9-66.10000112.1V319 Q320 L321V319-C323 PolarHBondContact O-N 2.96Å; V319-C323 VanDerWaalsContact O-N 3.08Å; V319-C323 PolarHBondContact O-SG 3.07Å; Q320-C323 WeakPolarHBondContact O-CA 3.46Å; Q320-C323 WeakPolarHBondContact O-CB 3.06Å; Q320-C323 PolarHBondContact O-N 2.94Å; L321-C323 VanDerWaalsContact C-N 3.27Å; L321-C323 PolarHBondContact O-N 3.03Å
324T64Low61.2Low104 Ų10494.5 Ų94.564%0.63851%0.505SS*.Hα-helixtrans-79.8-20.7-178.354.70000114.7Q320 L321 N326Q320-T324 PolarHBondContact O-N 3.22Å; L321-T324 PolarHBondContact O-N 2.99Å; L321-T324 PolarHBondContact O-OG1 2.82Å; T324-N326 VanDerWaalsContact C-N 3.28Å; T324-N326 PolarHBondContact O-N 3.45Å
325T58.7Low60.3Low83 Ų8393.3 Ų93.351%0.50950%0.496SS..  trans-82.269-179.533.90000111.6L321 N327L321-T325 PolarHBondContact O-N 2.96Å; L321-T325 PolarHBondContact O-OG1 3.43Å; T325-N327 VanDerWaalsContact C-N 3.27Å; T325-N327 PolarHBondContact O-N 3.33Å
326N50.7Low59.5Low139 Ų13996.5 Ų96.574%0.74351%0.513SS*.THydrogen-bonded Turntrans-75.65.4-177.3-95.5-12.8000115.9T324T324-N326 VanDerWaalsContact C-N 3.28Å; T324-N326 PolarHBondContact O-N 3.45Å
327N49Very low58.6Low155 Ų15599.2 Ų99.283%0.82953%0.53SS*.THydrogen-bonded Turntrans-12819.7-165.2-81.5-6.9000117T325T325-N327 VanDerWaalsContact C-N 3.27Å; T325-N327 PolarHBondContact O-N 3.33Å
328M43.5Very low57.6Low175 Ų17599.2 Ų99.286%0.86253%0.527SS*.SBendtrans-142.112.2179.8-78.4-78.5-171.700115.5
329M41.8Very low57Low86 Ų8698 Ų9842%0.42451%0.514SS..  trans-135.168.3-166.4-64.7-95.2-78.200112.4D331 N334 F335M329-D331 PolarHBondContact O-N 3.35Å; M329-N334 HydrophobicContact CE-CB 3.6Å; M329-N334 HydrophobicContact SD-CB 3.26Å; M329-N334 WeakPolarHBondContact SD-CB 3.42Å; M329-F335 HydrophobicContact CE-CB 4.46Å
330D44.1Very low56.4Low175 Ų175101.2 Ų101.294%0.93654%0.537SS*.  trans-79.624.9166.7-94.4-22.5000113
331D50.9Low55.7Low94 Ų94102.3 Ų102.350%0.50354%0.544SS..  trans-135.9112.3178.3-91-43.4000110.7M329 N333 N334M329-D331 PolarHBondContact O-N 3.35Å; D331-N333 HydrophobicContact CB-CB 4.36Å; D331-N333 PolarHBondContact O-N 2.91Å; D331-N334 PolarHBondContact O-N 3.49Å
332E54.8Low55.2Low180 Ų18099.7 Ų99.784%0.84154%0.535SS*.Hα-helixtrans-49.8-26.9167.7-155175.4-167.300111.3
333N53.4Low55.1Low116 Ų11698.4 Ų98.462%0.6253%0.528SS*.Hα-helixtrans-63.4-35.7174.1-76.3-33.2000114D331 L336 V337D331-N333 HydrophobicContact CB-CB 4.36Å; D331-N333 PolarHBondContact O-N 2.91Å; N333-L336 PolarHBondContact O-N 3.48Å; N333-V337 VanDerWaalsContact O-CG2 3.26Å; N333-V337 WeakPolarHBondContact O-CG2 3.32Å; N333-V337 PolarHBondContact O-N 3.02Å
334N53.9Low54.7Low69 Ų69106.3 Ų106.337%0.36955%0.551SS.*Hα-helixtrans-76.9-29.9-175.8-78.4-22.4000112.9M329 D331 L336 V337 H338M329-N334 HydrophobicContact CE-CB 3.6Å; M329-N334 HydrophobicContact SD-CB 3.26Å; M329-N334 WeakPolarHBondContact SD-CB 3.42Å; D331-N334 PolarHBondContact O-N 3.49Å; N334-L336 VanDerWaalsContact C-N 3.33Å; N334-V337 PolarHBondContact O-N 2.96Å; N334-H338 WeakPolarHBondContact O-CB 3.31Å; N334-H338 PolarHBondContact O-N 3.33Å
335F58Low54.5Low64 Ų64108.5 Ų108.528%0.28156%0.558SS.*Hα-helixtrans-66.5-38.5171.6179.3-106.1000111M329 H338 K339 K352M329-F335 HydrophobicContact CE-CB 4.46Å; F335-H338 PolarHBondContact O-N 3.45Å; F335-K339 HydrophobicContact CE1-CD 4.47Å; F335-K339 WeakPolarHBondContact O-CB 3.23Å; F335-K339 PolarHBondContact O-N 3.27Å; F335-K352 HydrophobicContact CD2-CG 4.48Å; F335-K352 HydrophobicContact CE2-CD 4.32Å; F335-K352 HydrophobicContact CE2-CG 3.69Å; F335-K352 HydrophobicContact CZ-CG 3.86Å
336L59.1Low54.5Low120 Ų120105.9 Ų105.963%0.62854%0.54SS*.Hα-helixtrans-66.2-40.1176.3-134.3116.8000111.5N333 N334 S340N333-L336 PolarHBondContact O-N 3.48Å; N334-L336 VanDerWaalsContact C-N 3.33Å; L336-S340 WeakPolarHBondContact O-CB 3.39Å; L336-S340 PolarHBondContact O-N 2.92Å; L336-S340 PolarHBondContact O-OG 3.46Å
337V57.5Low54.8Low73 Ų73104.2 Ų104.244%0.44253%0.534SS..Hα-helixtrans-63-48.4173.6171.20000110.6N333 N334 K339 S340 I341N333-V337 VanDerWaalsContact O-CG2 3.26Å; N333-V337 WeakPolarHBondContact O-CG2 3.32Å; N333-V337 PolarHBondContact O-N 3.02Å; N334-V337 PolarHBondContact O-N 2.96Å; V337-K339 PolarHBondContact O-N 3.15Å; V337-S340 PolarHBondContact O-N 3.04Å; V337-S340 VanDerWaalsContact O-N 3.16Å; V337-S340 PolarHBondContact O-OG 3.2Å; V337-I341 HydrophobicContact CG1-CD1 3.63Å; V337-I341 VanDerWaalsContact O-CG1 3.25Å; V337-I341 WeakPolarHBondContact O-CG1 3.2Å; V337-I341 PolarHBondContact O-N 3.27Å
338H57.1Low55.5Low74 Ų74103.2 Ų103.234%0.34353%0.529SS..Hα-helixtrans-70.3-34-179.5-13761000113.1L322 N334 F335 S340 I341 C342L322-H338 WeakPolarHBondContact CD2-CD2 3.44Å; N334-H338 WeakPolarHBondContact O-CB 3.31Å; N334-H338 PolarHBondContact O-N 3.33Å; F335-H338 PolarHBondContact O-N 3.45Å; H338-S340 VanDerWaalsContact C-N 3.34Å; H338-I341 PolarHBondContact O-N 3.47Å; H338-C342 WeakPolarHBondContact O-CB 3.35Å; H338-C342 PolarHBondContact O-N 2.97Å
339K57.7Low56.3Low44 Ų4495.5 Ų95.519%0.19149%0.492CS..Hα-helixtrans-60.1-42.8168.5179.8-178.9172.7-176.20111.2F335 V337 I341 F343 Y346 T347 V349F335-K339 HydrophobicContact CE1-CD 4.47Å; F335-K339 WeakPolarHBondContact O-CB 3.23Å; F335-K339 PolarHBondContact O-N 3.27Å; V337-K339 PolarHBondContact O-N 3.15Å; K339-I341 VanDerWaalsContact C-N 3.34Å; K339-F343 CarbonylContact O-C 3.4Å; K339-F343 WeakPolarHBondContact O-CA 3.13Å; K339-F343 PolarHBondContact O-N 3.23Å; K339-Y346 WeakPolarHBondContact CE-O 2.96Å; K339-T347 PolarHBondContact NZ-O 3.01Å; K339-V349 PolarHBondContact NZ-O 3.35Å
340S57.1Low57.2Low72 Ų72100.5 Ų100.550%0.50351%0.511SS..Hα-helixtrans-69.5-30.5179.8780000113.3L336 V337 H338L336-S340 WeakPolarHBondContact O-CB 3.39Å; L336-S340 PolarHBondContact O-N 2.92Å; L336-S340 PolarHBondContact O-OG 3.46Å; V337-S340 PolarHBondContact O-N 3.04Å; V337-S340 VanDerWaalsContact O-N 3.16Å; V337-S340 PolarHBondContact O-OG 3.2Å; H338-S340 VanDerWaalsContact C-N 3.34Å
341I58.5Low58.2Low117 Ų11794.1 Ų94.160%0.648%0.48SS*.Hα-helixtrans-84-46.5-178.5-65.4165.6000111V337 H338 K339V337-I341 HydrophobicContact CG1-CD1 3.63Å; V337-I341 VanDerWaalsContact O-CG1 3.25Å; V337-I341 WeakPolarHBondContact O-CG1 3.2Å; V337-I341 PolarHBondContact O-N 3.27Å; H338-I341 PolarHBondContact O-N 3.47Å; K339-I341 VanDerWaalsContact C-N 3.34Å
342C59.4Low58.9Low64 Ų6493.8 Ų93.843%0.43247%0.474SS..Hα-helixtrans-97.9-25.6-171.3-640000114.1H338H338-C342 WeakPolarHBondContact O-CB 3.35Å; H338-C342 PolarHBondContact O-N 2.97Å
343F62.2Low59.6Low13 Ų1392.8 Ų92.86%0.05747%0.47CS..  trans-129.949.8-167.3-56.2-69000113.4C318 V319 L322 K339 N345 Y346 L355 Y359C318-F343 HydrophobicContact CB-CZ 4.38Å; V319-F343 HydrophobicContact CG2-CE1 3.63Å; V319-F343 HydrophobicContact CG2-CE2 4.06Å; V319-F343 HydrophobicContact CG2-CZ 3.35Å; L322-F343 HydrophobicContact CD1-CE2 3.87Å; L322-F343 HydrophobicContact CD1-CZ 4.34Å; K339-F343 CarbonylContact O-C 3.4Å; K339-F343 WeakPolarHBondContact O-CA 3.13Å; K339-F343 PolarHBondContact O-N 3.23Å; F343-N345 PolarHBondContact O-N 2.91Å; F343-Y346 PolarHBondContact O-N 3.41Å; F343-Y346 VanDerWaalsContact O-N 3.17Å; F343-L355 HydrophobicContact CD1-CD2 4.34Å; F343-L355 HydrophobicContact CD2-CD2 4.18Å; F343-L355 HydrophobicContact CE2-CD2 4.36Å; F343-L355 HydrophobicContact CG-CD2 4.18Å; F343-Y359 HydrophobicContact CD1-CE2 4.13Å; F343-Y359 WeakPolarHBondContact CD1-OH 3.39Å; F343-Y359 HydrophobicContact CE1-CE2 4.29Å
344R56.9Low60.6Low216 Ų21691.9 Ų91.982%0.81546%0.462SS*.THydrogen-bonded Turntrans-57-24.8-172.2-147.8174.7-169.4-173.93115.3
345N60.2Low61.4Low149 Ų14989 Ų8980%0.79745%0.446SS*.THydrogen-bonded Turntrans-90-3.2-176.6-78.6-9.5000114.8F343F343-N345 PolarHBondContact O-N 2.91Å
346Y59Low62.2Low29 Ų2988.7 Ų88.711%0.11445%0.447CS..  trans-117.962.8-176.1-67.8-78.8000112K339 F343 D348 V349 L355 K358 Y359K339-Y346 WeakPolarHBondContact CE-O 2.96Å; F343-Y346 PolarHBondContact O-N 3.41Å; F343-Y346 VanDerWaalsContact O-N 3.17Å; Y346-D348 VanDerWaalsContact C-N 3.27Å; Y346-D348 PolarHBondContact O-N 3.44Å; Y346-V349 HydrophobicContact CD1-CG2 4.33Å; Y346-L355 HydrophobicContact CD2-CD1 4.37Å; Y346-L355 HydrophobicContact CG-CD1 4.08Å; Y346-K358 HydrophobicContact CD1-CD 3.65Å; Y346-K358 HydrophobicContact CD1-CG 4.49Å; Y346-K358 HydrophobicContact CE1-CD 3.38Å; Y346-K358 VanDerWaalsContact CE1-CE 3.45Å; Y346-K358 HydrophobicContact CE1-CG 3.83Å; Y346-Y359 HydrophobicContact CD2-CE2 4.19Å; Y346-Y359 AromaticContact CE2-CE1 3.91Å; Y346-Y359 HydrophobicContact CE2-CE1 3.91Å; Y346-Y359 AromaticContact CE2-CE2 3.82Å; Y346-Y359 HydrophobicContact CE2-CE2 3.82Å; Y346-Y359 AromaticContact CE2-CZ 3.42Å; Y346-Y359 VanDerWaalsContact CE2-CZ 3.42Å; Y346-Y359 WeakPolarHBondContact CE2-OH 3.42Å
347T57.3Low63.2Low103 Ų10387.9 Ų87.963%0.63244%0.443SS*.THydrogen-bonded Turntrans-60.9-35.9179.350.50000112.6K339 V349K339-T347 PolarHBondContact NZ-O 3.01Å; T347-V349 VanDerWaalsContact C-N 3.35Å; T347-V349 PolarHBondContact O-N 3.31Å
348D62.4Low64.2Low135 Ų13589.1 Ų89.172%0.72244%0.443SS*.THydrogen-bonded Turntrans-86.4-2.2-165.5-57.2-13.5000114.9Y346Y346-D348 VanDerWaalsContact C-N 3.27Å; Y346-D348 PolarHBondContact O-N 3.44Å
349V61.5Low65.2Low13 Ų1386 Ų868%0.07943%0.428CS..  trans-88.1122-173.1179.20000110.4K339 Y346 T347 S351 E354 L355K339-V349 PolarHBondContact NZ-O 3.35Å; Y346-V349 HydrophobicContact CD1-CG2 4.33Å; T347-V349 VanDerWaalsContact C-N 3.35Å; T347-V349 PolarHBondContact O-N 3.31Å; V349-S351 WeakPolarHBondContact CG1-O 3.38Å; V349-E354 HydrophobicContact CG1-CB 3.59Å; V349-L355 HydrophobicContact CB-CD1 4.21Å; V349-L355 HydrophobicContact CG1-CB 3.84Å; V349-L355 HydrophobicContact CG1-CD1 4.08Å; V349-L355 HydrophobicContact CG2-CD1 4.21Å
350K60.1Low66.3Low190 Ų19086.5 Ų86.583%0.82644%0.435SS*.  trans-96.3-25.1-175.8-70.9-176.5-179.3178.50113.1E354K350-E354 PolarHBondContact N-OE2 3.27Å
351S64.5Low67.6Low42 Ų4287.6 Ų87.629%0.29444%0.435SS..SBendtrans-121.5155.3-178.878.90000112.8V349 E353 E354 L355V349-S351 WeakPolarHBondContact CG1-O 3.38Å; S351-E353 PolarHBondContact O-N 2.83Å; S351-E354 PolarHBondContact N-OE2 3.39Å; S351-E354 PolarHBondContact O-N 3.44Å; S351-E354 WeakPolarHBondContact OG-CB 3.4Å; S351-E354 WeakPolarHBondContact OG-CG 3.45Å; S351-E354 PolarHBondContact OG-N 2.89Å; S351-L355 PolarHBondContact O-N 2.91Å
352K65.8Low68.8Low86 Ų8686.3 Ų86.337%0.37443%0.425SS..Hα-helixtrans-59.9-36172.8-64.1-177.7-178.6-175.90111.5F335 L355 L356F335-K352 HydrophobicContact CD2-CG 4.48Å; F335-K352 HydrophobicContact CE2-CD 4.32Å; F335-K352 HydrophobicContact CE2-CG 3.69Å; F335-K352 HydrophobicContact CZ-CG 3.86Å; K352-L355 PolarHBondContact O-N 3.41Å; K352-L356 PolarHBondContact O-N 2.92Å
353E70.6Confident70Confident159 Ų15984.2 Ų84.274%0.74341%0.409SS*.Hα-helixtrans-68.3-40.5-179.4-63.2177.417300112.5S351 L355 L356 L357S351-E353 PolarHBondContact O-N 2.83Å; E353-L355 VanDerWaalsContact C-N 3.29Å; E353-L355 PolarHBondContact O-N 2.97Å; E353-L356 PolarHBondContact O-N 3.31Å; E353-L357 WeakPolarHBondContact O-CB 3.27Å; E353-L357 PolarHBondContact O-N 3.13Å
354E73.1Confident70.9Confident97 Ų9788.1 Ų88.145%0.45343%0.431SS..Hα-helixtrans-63.5-35.8175.3-81.4176.2172.800112V349 K350 S351 K358V349-E354 HydrophobicContact CG1-CB 3.59Å; K350-E354 PolarHBondContact N-OE2 3.27Å; S351-E354 PolarHBondContact N-OE2 3.39Å; S351-E354 PolarHBondContact O-N 3.44Å; S351-E354 WeakPolarHBondContact OG-CB 3.4Å; S351-E354 WeakPolarHBondContact OG-CG 3.45Å; S351-E354 PolarHBondContact OG-N 2.89Å; E354-K358 WeakPolarHBondContact O-CB 3.4Å; E354-K358 PolarHBondContact O-N 2.94Å; E354-K358 VanDerWaalsContact O-N 3.16Å
355L70.6Confident72.3Confident9 Ų983 Ų835%0.04742%0.419CS..Hα-helixtrans-66.3-48.4177.7-163.683000110.3V319 F343 Y346 V349 S351 K352 E353 L357 K358 Y359V319-L355 HydrophobicContact CB-CD2 4.48Å; V319-L355 HydrophobicContact CG1-CD2 4.1Å; V319-L355 HydrophobicContact CG2-CD2 3.46Å; V319-L355 VanDerWaalsContact CG2-CD2 3.46Å; V319-L355 HydrophobicContact CG2-CG 4.41Å; F343-L355 HydrophobicContact CD1-CD2 4.34Å; F343-L355 HydrophobicContact CD2-CD2 4.18Å; F343-L355 HydrophobicContact CE2-CD2 4.36Å; F343-L355 HydrophobicContact CG-CD2 4.18Å; Y346-L355 HydrophobicContact CD2-CD1 4.37Å; Y346-L355 HydrophobicContact CG-CD1 4.08Å; V349-L355 HydrophobicContact CB-CD1 4.21Å; V349-L355 HydrophobicContact CG1-CB 3.84Å; V349-L355 HydrophobicContact CG1-CD1 4.08Å; V349-L355 HydrophobicContact CG2-CD1 4.21Å; S351-L355 PolarHBondContact O-N 2.91Å; K352-L355 PolarHBondContact O-N 3.41Å; E353-L355 VanDerWaalsContact C-N 3.29Å; E353-L355 PolarHBondContact O-N 2.97Å; L355-L357 PolarHBondContact O-N 2.81Å; L355-K358 PolarHBondContact O-N 2.98Å; L355-Y359 HydrophobicContact CD1-CE2 4.38Å; L355-Y359 HydrophobicContact CD2-CE2 4.45Å; L355-Y359 HydrophobicContact CG-CD2 4.2Å; L355-Y359 HydrophobicContact CG-CE2 4.07Å; L355-Y359 VanDerWaalsContact O-CD2 3.32Å; L355-Y359 WeakPolarHBondContact O-CD2 3.36Å; L355-Y359 PolarHBondContact O-N 3.24Å
356L74.8Confident73.3Confident58 Ų5876.4 Ų76.430%0.30438%0.384SS..Hα-helixtrans-57.6-50.9178-166.994.5000110.5I316 V319 Q320 K352 E353 K358 Y359 T360I316-L356 HydrophobicContact CG2-CD1 4.46Å; V319-L356 HydrophobicContact CG1-CD1 4.03Å; Q320-L356 HydrophobicContact CG-CD1 3.91Å; K352-L356 PolarHBondContact O-N 2.92Å; E353-L356 PolarHBondContact O-N 3.31Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 3.25Å; L356-Y359 PolarHBondContact O-N 3.17Å; L356-T360 PolarHBondContact O-N 3.02Å; L356-T360 PolarHBondContact O-OG1 3.45Å
357L80.7Confident74.4Confident103 Ų10378.4 Ų78.454%0.53940%0.397SS..Hα-helixtrans-57.7-40-178.9-175.768.6000112.5E353 L355 T360 N361E353-L357 WeakPolarHBondContact O-CB 3.27Å; E353-L357 PolarHBondContact O-N 3.13Å; L355-L357 PolarHBondContact O-N 2.81Å; L357-T360 PolarHBondContact O-N 2.89Å; L357-N361 WeakPolarHBondContact O-CB 3.46Å; L357-N361 PolarHBondContact O-N 3.45Å; L357-N361 PolarHBondContact O-ND2 3.47Å
358K79.8Confident75.6Confident99 Ų9978.1 Ų78.143%0.4339%0.39SS..Hα-helixtrans-68.5-38.6-179.3-163.2164.8-178-165.40112Y346 E354 L355 L356 K362Y346-K358 HydrophobicContact CD1-CD 3.65Å; Y346-K358 HydrophobicContact CD1-CG 4.49Å; Y346-K358 HydrophobicContact CE1-CD 3.38Å; Y346-K358 VanDerWaalsContact CE1-CE 3.45Å; Y346-K358 HydrophobicContact CE1-CG 3.83Å; E354-K358 WeakPolarHBondContact O-CB 3.4Å; E354-K358 PolarHBondContact O-N 2.94Å; E354-K358 VanDerWaalsContact O-N 3.16Å; L355-K358 PolarHBondContact O-N 2.98Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 3.25Å; K358-K362 WeakPolarHBondContact O-CB 3.49Å; K358-K362 PolarHBondContact O-N 3.25Å; K358-K362 VanDerWaalsContact O-N 3.15Å
359Y78Confident76.5Confident8 Ų875.4 Ų75.43%0.03137%0.374CS..Hα-helixtrans-69.8-38.8173.9-82.4-69.1000112.7V312 D315 I316 F343 Y346 L355 L356 K362 L363V312-Y359 HydrophobicContact CG1-CD1 4.11Å; D315-Y359 HydrophobicContact CB-CD1 4.02Å; D315-Y359 HydrophobicContact CB-CE1 3.51Å; D315-Y359 HydrophobicContact CB-CE2 4.31Å; D315-Y359 WeakPolarHBondContact OD2-CE1 3.42Å; D315-Y359 VanDerWaalsContact OD2-CZ 3.23Å; D315-Y359 PolarHBondContact OD2-OH 2.96Å; I316-Y359 HydrophobicContact CG1-CG 4.36Å; F343-Y359 HydrophobicContact CD1-CE2 4.13Å; F343-Y359 WeakPolarHBondContact CD1-OH 3.39Å; F343-Y359 HydrophobicContact CE1-CE2 4.29Å; Y346-Y359 HydrophobicContact CD2-CE2 4.19Å; Y346-Y359 AromaticContact CE2-CE1 3.91Å; Y346-Y359 HydrophobicContact CE2-CE1 3.91Å; Y346-Y359 AromaticContact CE2-CE2 3.82Å; Y346-Y359 HydrophobicContact CE2-CE2 3.82Å; Y346-Y359 AromaticContact CE2-CZ 3.42Å; Y346-Y359 VanDerWaalsContact CE2-CZ 3.42Å; Y346-Y359 WeakPolarHBondContact CE2-OH 3.42Å; L355-Y359 HydrophobicContact CD1-CE2 4.38Å; L355-Y359 HydrophobicContact CD2-CE2 4.45Å; L355-Y359 HydrophobicContact CG-CD2 4.2Å; L355-Y359 HydrophobicContact CG-CE2 4.07Å; L355-Y359 VanDerWaalsContact O-CD2 3.32Å; L355-Y359 WeakPolarHBondContact O-CD2 3.36Å; L355-Y359 PolarHBondContact O-N 3.24Å; L356-Y359 PolarHBondContact O-N 3.17Å; Y359-K362 PolarHBondContact O-N 3.19Å; Y359-L363 PolarHBondContact O-N 3.03Å
360T80.8Confident77.2Confident55 Ų5575.9 Ų75.934%0.33738%0.376SS..Hα-helixtrans-62.6-46.6176.8-23.50000111.2L356 L357 K362 L363 D364L356-T360 PolarHBondContact O-N 3.02Å; L356-T360 PolarHBondContact O-OG1 3.45Å; L357-T360 PolarHBondContact O-N 2.89Å; T360-K362 VanDerWaalsContact C-N 3.29Å; T360-K362 PolarHBondContact O-N 3.47Å; T360-L363 WeakPolarHBondContact O-CB 3.29Å; T360-L363 PolarHBondContact O-N 3.18Å; T360-L363 VanDerWaalsContact O-N 3.15Å; T360-D364 PolarHBondContact O-N 3.23Å
361N83.7Confident78.1Confident95 Ų9571.7 Ų71.751%0.50836%0.362SS..Hα-helixtrans-60.9-36.8176.1-77.3-24.6000112.8L357 L365L357-N361 WeakPolarHBondContact O-CB 3.46Å; L357-N361 PolarHBondContact O-N 3.45Å; L357-N361 PolarHBondContact O-ND2 3.47Å; N361-L365 PolarHBondContact O-N 3.42Å; N361-L365 VanDerWaalsContact O-N 3.15Å
362K84.1Confident78.7Confident89 Ų8974.2 Ų74.239%0.38737%0.37SS..Hα-helixtrans-65.6-43.6175.9-174.6176.1177.9-167.50110.9V312 K358 Y359 T360 D364 L365 L366V312-K362 HydrophobicContact CG2-CD 3.82Å; V312-K362 HydrophobicContact CG2-CG 4.22Å; K358-K362 WeakPolarHBondContact O-CB 3.49Å; K358-K362 PolarHBondContact O-N 3.25Å; K358-K362 VanDerWaalsContact O-N 3.15Å; Y359-K362 PolarHBondContact O-N 3.19Å; T360-K362 VanDerWaalsContact C-N 3.29Å; T360-K362 PolarHBondContact O-N 3.47Å; K362-D364 PolarHBondContact O-N 3.26Å; K362-L365 PolarHBondContact O-N 3.21Å; K362-L366 HydrophobicContact CG-CD1 3.87Å; K362-L366 WeakPolarHBondContact O-CD1 3.28Å; K362-L366 PolarHBondContact O-N 2.79Å; K362-L366 VanDerWaalsContact O-N 3.09Å
363L83Confident79Confident21 Ų2171.8 Ų71.811%0.1136%0.36CS..Hα-helixtrans-61.6-42.5177.9-172.861.8000112A309 V312 M313 I316 Y359 T360 L365 L366 N367A309-L363 HydrophobicContact CB-CD1 4.05Å; V312-L363 HydrophobicContact CG1-CB 3.89Å; V312-L363 HydrophobicContact CG1-CD1 4.24Å; M313-L363 HydrophobicContact CE-CD2 4.25Å; I316-L363 HydrophobicContact CD1-CB 4.47Å; I316-L363 HydrophobicContact CD1-CD2 4.01Å; Y359-L363 PolarHBondContact O-N 3.03Å; T360-L363 WeakPolarHBondContact O-CB 3.29Å; T360-L363 PolarHBondContact O-N 3.18Å; T360-L363 VanDerWaalsContact O-N 3.15Å; L363-L365 PolarHBondContact O-N 2.82Å; L363-L366 PolarHBondContact O-N 3.27Å; L363-N367 WeakPolarHBondContact O-CB 3.4Å; L363-N367 PolarHBondContact O-N 3.49Å; L363-N367 PolarHBondContact O-ND2 2.92Å
364D82.5Confident79.1Confident95 Ų9569.5 Ų69.551%0.50835%0.345SS..Hα-helixtrans-64.1-39.8177.4-74.6-22.4000112.5T360 K362 N367 L368T360-D364 PolarHBondContact O-N 3.23Å; K362-D364 PolarHBondContact O-N 3.26Å; D364-N367 PolarHBondContact O-N 3.06Å; D364-L368 WeakPolarHBondContact O-CB 3.35Å; D364-L368 PolarHBondContact O-N 3.47Å
365L85.3Confident78.8Confident107 Ų10771.6 Ų71.656%0.5636%0.355SS*.Hα-helixtrans-63.2-44.5176.3-175.267.1000111.8N361 K362 L363 L368 E369N361-L365 PolarHBondContact O-N 3.42Å; N361-L365 VanDerWaalsContact O-N 3.15Å; K362-L365 PolarHBondContact O-N 3.21Å; L363-L365 PolarHBondContact O-N 2.82Å; L365-L368 PolarHBondContact O-N 2.89Å; L365-E369 PolarHBondContact O-N 3.07Å; L365-E369 VanDerWaalsContact O-N 3.07Å
366L81.6Confident78.5Confident12 Ų1279.9 Ų79.96%0.06339%0.385CS..Hα-helixtrans-61.8-45.2176.1-91.3133.4000111.7L305 E308 A309 V312 K362 L363 L368 E369 V370L305-L366 HydrophobicContact CD2-CD2 3.82Å; L305-L366 WeakPolarHBondContact O-CD2 3.45Å; E308-L366 HydrophobicContact CB-CD2 3.58Å; A309-L366 HydrophobicContact CB-CB 4.49Å; V312-L366 HydrophobicContact CG2-CD1 4.4Å; K362-L366 HydrophobicContact CG-CD1 3.87Å; K362-L366 WeakPolarHBondContact O-CD1 3.28Å; K362-L366 PolarHBondContact O-N 2.79Å; K362-L366 VanDerWaalsContact O-N 3.09Å; L363-L366 PolarHBondContact O-N 3.27Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 3.49Å; L366-E369 PolarHBondContact O-N 3.4Å; L366-V370 WeakPolarHBondContact O-CG2 3.44Å; L366-V370 PolarHBondContact O-N 3.35Å
367N81.6Confident78Confident71 Ų7179.1 Ų79.138%0.3838%0.381SS..Hα-helixtrans-62.4-37.7176.8-76.3-30000112.4L363 D364 V370 L371L363-N367 WeakPolarHBondContact O-CB 3.4Å; L363-N367 PolarHBondContact O-N 3.49Å; L363-N367 PolarHBondContact O-ND2 2.92Å; D364-N367 PolarHBondContact O-N 3.06Å; N367-V370 PolarHBondContact O-N 2.98Å; N367-L371 WeakPolarHBondContact O-CG 3.3Å; N367-L371 PolarHBondContact O-N 3.29Å
368L84Confident77.1Confident96 Ų9679.4 Ų79.450%0.50338%0.383SS..Hα-helixtrans-65.4-42.5176.3-165.177.7000111.8D364 L365 L366 L371 Q372D364-L368 WeakPolarHBondContact O-CB 3.35Å; D364-L368 PolarHBondContact O-N 3.47Å; L365-L368 PolarHBondContact O-N 2.89Å; L366-L368 VanDerWaalsContact C-N 3.31Å; L366-L368 PolarHBondContact O-N 3.49Å; L368-L371 PolarHBondContact O-N 3.01Å; L368-Q372 WeakPolarHBondContact O-CG 3.47Å; L368-Q372 PolarHBondContact O-N 3.09Å
369E79.7Confident76.1Confident79 Ų7978 Ų7837%0.36939%0.39SS..Hα-helixtrans-62.3-44.1175.5-75.6-162.2173.900112L305 L365 L366 L371 Q372 I373L305-E369 WeakPolarHBondContact CD2-OE2 3.43Å; L365-E369 PolarHBondContact O-N 3.07Å; L365-E369 VanDerWaalsContact O-N 3.07Å; L366-E369 PolarHBondContact O-N 3.4Å; E369-L371 VanDerWaalsContact C-N 3.33Å; E369-L371 PolarHBondContact O-N 3.29Å; E369-Q372 PolarHBondContact O-N 3.35Å; E369-I373 VanDerWaalsContact O-CG1 3.29Å; E369-I373 WeakPolarHBondContact O-CG1 3.33Å; E369-I373 PolarHBondContact O-N 2.89Å
370V76.8Confident75.2Confident23 Ų2387.6 Ų87.614%0.13943%0.426CS..Hα-helixtrans-60-43.6176.7172.70000110.9L305 L366 N367 I373 R374L305-V370 HydrophobicContact CB-CG2 3.81Å; L305-V370 HydrophobicContact CD1-CG2 4.41Å; L366-V370 WeakPolarHBondContact O-CG2 3.44Å; L366-V370 PolarHBondContact O-N 3.35Å; N367-V370 PolarHBondContact O-N 2.98Å; V370-I373 PolarHBondContact O-N 3.4Å; V370-R374 WeakPolarHBondContact O-CB 3.43Å; V370-R374 PolarHBondContact O-N 3.48Å
371L78.4Confident74Confident101 Ų10188.5 Ų88.553%0.52943%0.432SS..Hα-helixtrans-63.8-44.1176.7-78.9166.9000112.5N367 L368 E369 I373 R374 Q375N367-L371 WeakPolarHBondContact O-CG 3.3Å; N367-L371 PolarHBondContact O-N 3.29Å; L368-L371 PolarHBondContact O-N 3.01Å; E369-L371 VanDerWaalsContact C-N 3.33Å; E369-L371 PolarHBondContact O-N 3.29Å; L371-I373 PolarHBondContact O-N 3.34Å; L371-R374 PolarHBondContact O-N 3.34Å; L371-Q375 WeakPolarHBondContact O-CG 3.02Å; L371-Q375 PolarHBondContact O-N 2.94Å
372Q78.2Confident72.6Confident96 Ų9691.2 Ų91.245%0.44944%0.439SS..Hα-helixtrans-62.6-42.6178-75.6-175.71.800112.1L368 E369 Q375 R376L368-Q372 WeakPolarHBondContact O-CG 3.47Å; L368-Q372 PolarHBondContact O-N 3.09Å; E369-Q372 PolarHBondContact O-N 3.35Å; Q372-Q375 PolarHBondContact O-N 3.38Å; Q372-R376 WeakPolarHBondContact O-CG 3.37Å; Q372-R376 PolarHBondContact O-N 3.36Å; Q372-R376 VanDerWaalsContact O-N 3.09Å
373I70.9Confident71.3Confident35 Ų3593.5 Ų93.518%0.17946%0.455CS..Hα-helixtrans-64.1-45.4176.7-67.6167.4000109.8L298 I302 L305 E369 V370 L371 Q375 R376 I377L298-I373 HydrophobicContact CD1-CG2 4.05Å; L298-I373 HydrophobicContact CG-CG2 4.26Å; I302-I373 HydrophobicContact CD1-CG2 4.03Å; I302-I373 HydrophobicContact CG1-CG2 3.95Å; L305-I373 HydrophobicContact CD1-CD1 3.51Å; E369-I373 VanDerWaalsContact O-CG1 3.29Å; E369-I373 WeakPolarHBondContact O-CG1 3.33Å; E369-I373 PolarHBondContact O-N 2.89Å; V370-I373 PolarHBondContact O-N 3.4Å; L371-I373 PolarHBondContact O-N 3.34Å; I373-Q375 VanDerWaalsContact C-N 3.35Å; I373-Q375 PolarHBondContact O-N 3.24Å; I373-R376 PolarHBondContact O-N 3.23Å; I373-I377 HydrophobicContact CG2-CD1 3.86Å; I373-I377 VanDerWaalsContact O-CG1 3.26Å; I373-I377 WeakPolarHBondContact O-CG1 3.49Å; I373-I377 PolarHBondContact O-N 2.93Å
374R72.9Confident70.2Confident110 Ų11094 Ų9442%0.41547%0.465SS..Hα-helixtrans-62.4-38.6179.6-158.8173.3-170.7176.73.3112.6V370 L371 I377 N378 S707V370-R374 WeakPolarHBondContact O-CB 3.43Å; V370-R374 PolarHBondContact O-N 3.48Å; L371-R374 PolarHBondContact O-N 3.34Å; R374-I377 PolarHBondContact O-N 2.97Å; R374-N378 PolarHBondContact O-N 3.31Å; R374-N378 VanDerWaalsContact O-N 3.12Å; R374-S707 PolarHBondContact NH2-O 3.37Å; R374-S707 VanDerWaalsContact NH2-O 3.15Å
375Q67.9Low68.9Low142 Ų14295.7 Ų95.766%0.66447%0.468SS*.Hα-helixtrans-66.6-43.2174.9-77.5-176.7-11.800112.7L371 Q372 I373 I377 N378 A379L371-Q375 WeakPolarHBondContact O-CG 3.02Å; L371-Q375 PolarHBondContact O-N 2.94Å; Q372-Q375 PolarHBondContact O-N 3.38Å; I373-Q375 VanDerWaalsContact C-N 3.35Å; I373-Q375 PolarHBondContact O-N 3.24Å; Q375-I377 VanDerWaalsContact C-N 3.28Å; Q375-I377 PolarHBondContact O-N 2.92Å; Q375-N378 PolarHBondContact O-N 3.33Å; Q375-A379 PolarHBondContact O-N 2.94Å; Q375-A379 VanDerWaalsContact O-N 3.11Å
376R63.6Low67.6Low183 Ų18393.8 Ų93.869%0.69146%0.461SS*.Hα-helixtrans-62.6-36.5176.5-74.6-175.1-170.5-179.16.4112.1Q372 I373 R380Q372-R376 WeakPolarHBondContact O-CG 3.37Å; Q372-R376 PolarHBondContact O-N 3.36Å; Q372-R376 VanDerWaalsContact O-N 3.09Å; I373-R376 PolarHBondContact O-N 3.23Å; R376-R380 PolarHBondContact O-N 2.97Å
377I64.7Low66.8Low42 Ų4298.8 Ų98.822%0.21548%0.484CS..Hα-helixtrans-61.4-54.8174.4-68.4166.2000109.5L298 I302 I373 R374 Q375 A379 T381L298-I377 HydrophobicContact CD2-CD1 3.45Å; L298-I377 VanDerWaalsContact CD2-CD1 3.45Å; L298-I377 HydrophobicContact CD2-CG1 3.31Å; L298-I377 HydrophobicContact CG-CD1 4.01Å; L298-I377 HydrophobicContact CG-CG1 4.35Å; I302-I377 HydrophobicContact CD1-CD1 3.68Å; I373-I377 HydrophobicContact CG2-CD1 3.86Å; I373-I377 VanDerWaalsContact O-CG1 3.26Å; I373-I377 WeakPolarHBondContact O-CG1 3.49Å; I373-I377 PolarHBondContact O-N 2.93Å; R374-I377 PolarHBondContact O-N 2.97Å; Q375-I377 VanDerWaalsContact C-N 3.28Å; Q375-I377 PolarHBondContact O-N 2.92Å; I377-A379 PolarHBondContact O-N 2.88Å; I377-T381 WeakPolarHBondContact O-CB 3.31Å; I377-T381 PolarHBondContact O-N 3.5Å; I377-T381 PolarHBondContact O-OG1 3.23Å
378N61.9Low65.9Low108 Ų10899.7 Ų99.758%0.57849%0.486SS*.Hα-helixtrans-60.8-41.9-175.5-77.5-2.7000113.2R374 Q375 F382R374-N378 PolarHBondContact O-N 3.31Å; R374-N378 VanDerWaalsContact O-N 3.12Å; Q375-N378 PolarHBondContact O-N 3.33Å; N378-F382 PolarHBondContact O-N 3.46Å
379A58.1Low64.8Low70 Ų7096.9 Ų96.958%0.57947%0.474SS*.Hα-helixtrans-69.4-45.7-177.400000113.5Q375 I377Q375-A379 PolarHBondContact O-N 2.94Å; Q375-A379 VanDerWaalsContact O-N 3.11Å; I377-A379 PolarHBondContact O-N 2.88Å
380R58.7Low64.3Low210 Ų21096.7 Ų96.779%0.79248%0.478SS*.Hα-helixtrans-70.6-34.4176.2-78.6-174-179-178.70.2112.2R376 G384R376-R380 PolarHBondContact O-N 2.97Å; R380-G384 PolarHBondContact O-N 2.85Å
381T56.6Low63.9Low73 Ų7399.2 Ų99.245%0.44849%0.488SS..Hα-helixtrans-67.3-41.3-179.9-53.90000111I377 F385I377-T381 WeakPolarHBondContact O-CB 3.31Å; I377-T381 PolarHBondContact O-N 3.5Å; I377-T381 PolarHBondContact O-OG1 3.23Å; T381-F385 WeakPolarHBondContact O-CA 3.46Å; T381-F385 WeakPolarHBondContact O-CB 3.43Å; T381-F385 PolarHBondContact O-N 3.3Å
382F55.1Low63.5Low153 Ų15396.5 Ų96.567%0.67147%0.474SS*.Hα-helixtrans-67.2-46.3-178.3-169.1-101.5000112.9N378 V386N378-F382 PolarHBondContact O-N 3.46Å; F382-V386 HydrophobicContact CD1-CG2 4.49Å; F382-V386 HydrophobicContact CE1-CG2 4.24Å; F382-V386 HydrophobicContact CZ-CG2 4.3Å; F382-V386 VanDerWaalsContact O-CG2 3.27Å; F382-V386 WeakPolarHBondContact O-CG2 3.43Å; F382-V386 PolarHBondContact O-N 2.74Å
383L56.4Low63.3Low136 Ų13697.1 Ų97.171%0.71248%0.48SS*.Hα-helixtrans-71.6-39-179.3-15976.4000112.2H387L383-H387 WeakPolarHBondContact O-CB 3.18Å; L383-H387 PolarHBondContact O-N 3.26Å; L383-H387 VanDerWaalsContact O-N 3.13Å
384G58.6Low63.7Low31 Ų31101.3 Ų101.332%0.3250%0.497SS..Hα-helixtrans-64.9-44.4174.200000112.3R380 H387 E388R380-G384 PolarHBondContact O-N 2.85Å; G384-H387 PolarHBondContact O-N 2.96Å; G384-E388 WeakPolarHBondContact O-CB 3.32Å; G384-E388 PolarHBondContact O-N 3Å
385F56.4Low63.7Low131 Ų13199.1 Ų99.158%0.57549%0.49SS*.Hα-helixtrans-64.7-41.8178-177.7-98.2000112.1T381 S389T381-F385 WeakPolarHBondContact O-CA 3.46Å; T381-F385 WeakPolarHBondContact O-CB 3.43Å; T381-F385 PolarHBondContact O-N 3.3Å; F385-S389 WeakPolarHBondContact O-CA 3.47Å; F385-S389 WeakPolarHBondContact O-CB 3.48Å; F385-S389 PolarHBondContact O-N 2.69Å
386V58.1Low64Low68 Ų6896.8 Ų96.841%0.41248%0.477SS..Hα-helixtrans-63.7-45.5175.8171.80000110.6F382 T390F382-V386 HydrophobicContact CD1-CG2 4.49Å; F382-V386 HydrophobicContact CE1-CG2 4.24Å; F382-V386 HydrophobicContact CZ-CG2 4.3Å; F382-V386 VanDerWaalsContact O-CG2 3.27Å; F382-V386 WeakPolarHBondContact O-CG2 3.43Å; F382-V386 PolarHBondContact O-N 2.74Å; V386-T390 HydrophobicContact CG1-CG2 4.4Å; V386-T390 WeakPolarHBondContact O-CB 3.37Å; V386-T390 WeakPolarHBondContact O-CG2 2.97Å; V386-T390 PolarHBondContact O-N 3.49Å; V386-T390 PolarHBondContact O-OG1 3.16Å
387H63.2Low64.7Low116 Ų11694.3 Ų94.354%0.53747%0.472SS..Hα-helixtrans-64.7-51.7178.4-174.6-99.1000111.8L383 G384 S389 T390 H391L383-H387 WeakPolarHBondContact O-CB 3.18Å; L383-H387 PolarHBondContact O-N 3.26Å; L383-H387 VanDerWaalsContact O-N 3.13Å; G384-H387 PolarHBondContact O-N 2.96Å; H387-S389 PolarHBondContact O-N 2.89Å; H387-T390 PolarHBondContact O-N 3.2Å; H387-T390 PolarHBondContact O-OG1 3.45Å; H387-H391 AromaticContact CD2-NE2 3.78Å; H387-H391 AromaticContact CE1-CD2 3.46Å; H387-H391 PolarHBondContact CE1-CD2 2.98Å; H387-H391 VanDerWaalsContact CE1-CD2 3.46Å; H387-H391 AromaticContact CE1-NE2 3.06Å; H387-H391 PolarHBondContact CE1-NE2 3.21Å; H387-H391 AromaticContact ND1-CD2 3.63Å; H387-H391 AromaticContact ND1-NE2 3.7Å; H387-H391 AromaticContact NE2-CD2 3.79Å; H387-H391 AromaticContact NE2-NE2 3.08Å; H387-H391 PolarHBondContact NE2-NE2 3.23Å; H387-H391 PolarHBondContact O-CD2 3.43Å; H387-H391 PolarHBondContact O-N 2.86Å
388E63.1Low65.5Low90 Ų9094 Ų9442%0.42147%0.473SS..Hα-helixtrans-62.9-39.7177.6-78.7178.5158.700112.7G384 T390 H391 L392G384-E388 WeakPolarHBondContact O-CB 3.32Å; G384-E388 PolarHBondContact O-N 3Å; E388-T390 PolarHBondContact O-N 3Å; E388-H391 PolarHBondContact O-N 3.28Å; E388-L392 WeakPolarHBondContact O-CB 3.37Å; E388-L392 PolarHBondContact O-N 3.36Å
389S61.5Low66.2Low37 Ų3791.3 Ų91.326%0.25946%0.458SS..Hα-helixtrans-64.8-38.3176.3-174.80000111.8F385 H387 L392 L393F385-S389 WeakPolarHBondContact O-CA 3.47Å; F385-S389 WeakPolarHBondContact O-CB 3.48Å; F385-S389 PolarHBondContact O-N 2.69Å; H387-S389 PolarHBondContact O-N 2.89Å; S389-L392 PolarHBondContact O-N 3.35Å; S389-L393 WeakPolarHBondContact O-CB 3.37Å; S389-L393 VanDerWaalsContact O-CG 3.27Å; S389-L393 WeakPolarHBondContact O-CG 3.34Å; S389-L393 PolarHBondContact O-N 3.33Å
390T68.7Low67.1Low75 Ų7593 Ų9346%0.4646%0.457SS..Hα-helixtrans-64.6-40.3175.760.50000112.4V386 H387 E388 F394V386-T390 HydrophobicContact CG1-CG2 4.4Å; V386-T390 WeakPolarHBondContact O-CB 3.37Å; V386-T390 WeakPolarHBondContact O-CG2 2.97Å; V386-T390 PolarHBondContact O-N 3.49Å; V386-T390 PolarHBondContact O-OG1 3.16Å; H387-T390 PolarHBondContact O-N 3.2Å; H387-T390 PolarHBondContact O-OG1 3.45Å; E388-T390 PolarHBondContact O-N 3Å; T390-F394 WeakPolarHBondContact O-CB 3.45Å; T390-F394 PolarHBondContact O-N 2.88Å
391H69.7Low68.4Low76 Ų7686.9 Ų86.935%0.35244%0.439SS..Hα-helixtrans-64.7-44.6174.4-75.5-70.7000111.4H387 E388 F394 Y395H387-H391 AromaticContact CD2-NE2 3.78Å; H387-H391 AromaticContact CE1-CD2 3.46Å; H387-H391 PolarHBondContact CE1-CD2 2.98Å; H387-H391 VanDerWaalsContact CE1-CD2 3.46Å; H387-H391 AromaticContact CE1-NE2 3.06Å; H387-H391 PolarHBondContact CE1-NE2 3.21Å; H387-H391 AromaticContact ND1-CD2 3.63Å; H387-H391 AromaticContact ND1-NE2 3.7Å; H387-H391 AromaticContact NE2-CD2 3.79Å; H387-H391 AromaticContact NE2-NE2 3.08Å; H387-H391 PolarHBondContact NE2-NE2 3.23Å; H387-H391 PolarHBondContact O-CD2 3.43Å; H387-H391 PolarHBondContact O-N 2.86Å; E388-H391 PolarHBondContact O-N 3.28Å; H391-F394 WeakPolarHBondContact O-CB 3.26Å; H391-F394 PolarHBondContact O-N 3.3Å; H391-Y395 HydrophobicContact CB-CE2 4.26Å; H391-Y395 WeakPolarHBondContact O-CD2 3.3Å; H391-Y395 PolarHBondContact O-N 3.03Å
392L69.3Low69.6Low45 Ų4584.4 Ų84.424%0.23642%0.423CS..Hα-helixtrans-62.6-46.9178.4-166.677.3000111.8S288 L289 E388 S389 F394 Y395 F396S288-L392 WeakPolarHBondContact OG-CD1 3.43Å; L289-L392 HydrophobicContact CD1-CD1 4.47Å; E388-L392 WeakPolarHBondContact O-CB 3.37Å; E388-L392 PolarHBondContact O-N 3.36Å; S389-L392 PolarHBondContact O-N 3.35Å; L392-F394 VanDerWaalsContact C-N 3.29Å; L392-F394 PolarHBondContact O-N 2.71Å; L392-Y395 PolarHBondContact O-N 2.73Å; L392-F396 HydrophobicContact CD1-CE2 3.97Å; L392-F396 HydrophobicContact CD2-CD2 4.45Å; L392-F396 HydrophobicContact CD2-CE2 3.91Å; L392-F396 HydrophobicContact CG-CD2 3.87Å; L392-F396 HydrophobicContact CG-CE2 3.61Å; L392-F396 WeakPolarHBondContact O-CD2 3.47Å; L392-F396 PolarHBondContact O-N 2.98Å
393L73.7Confident70.8Confident109 Ų10982.7 Ų82.757%0.57142%0.415SS*.Hα-helixtrans-60.8-38.4175.9-75.2171.2000111.8S389 F396 F397S389-L393 WeakPolarHBondContact O-CB 3.37Å; S389-L393 VanDerWaalsContact O-CG 3.27Å; S389-L393 WeakPolarHBondContact O-CG 3.34Å; S389-L393 PolarHBondContact O-N 3.33Å; L393-F396 PolarHBondContact O-N 2.86Å; L393-F397 VanDerWaalsContact O-CB 3.3Å; L393-F397 WeakPolarHBondContact O-CB 3.46Å; L393-F397 PolarHBondContact O-N 3.24Å
394F79Confident72.1Confident123 Ų12379.4 Ų79.454%0.53940%0.401SS..Hα-helixtrans-62.9-45.1175177.6-98.1000112T390 H391 L392 F397 C398T390-F394 WeakPolarHBondContact O-CB 3.45Å; T390-F394 PolarHBondContact O-N 2.88Å; H391-F394 WeakPolarHBondContact O-CB 3.26Å; H391-F394 PolarHBondContact O-N 3.3Å; L392-F394 VanDerWaalsContact C-N 3.29Å; L392-F394 PolarHBondContact O-N 2.71Å; F394-F397 PolarHBondContact O-N 3.44Å; F394-C398 WeakPolarHBondContact O-CB 3.29Å; F394-C398 PolarHBondContact O-N 2.95Å; F394-C398 PolarHBondContact O-SG 3.08Å
395Y73.6Confident73.3Confident64 Ų6478.6 Ų78.625%0.25139%0.389SS..Hα-helixtrans-65-40.3176.8-67.8-58.5000112.3L281 I284 H391 L392 C398 L399L281-Y395 HydrophobicContact CD2-CD1 3.98Å; I284-Y395 HydrophobicContact CG2-CD1 4.14Å; I284-Y395 HydrophobicContact CG2-CD2 3.94Å; I284-Y395 HydrophobicContact CG2-CE1 3.78Å; I284-Y395 HydrophobicContact CG2-CE2 3.56Å; I284-Y395 HydrophobicContact CG2-CG 4.23Å; I284-Y395 VanDerWaalsContact CG2-CZ 3.48Å; H391-Y395 HydrophobicContact CB-CE2 4.26Å; H391-Y395 WeakPolarHBondContact O-CD2 3.3Å; H391-Y395 PolarHBondContact O-N 3.03Å; L392-Y395 PolarHBondContact O-N 2.73Å; Y395-C398 PolarHBondContact O-N 3.46Å; Y395-L399 WeakPolarHBondContact O-CB 3.46Å; Y395-L399 PolarHBondContact O-N 3.34Å
396F73.3Confident74.6Confident93 Ų9373 Ų7341%0.40837%0.365SS..Hα-helixtrans-64.2-43.7173.8-82.1-64.1000112.4L392 L393 C398 L399 I400L392-F396 HydrophobicContact CD1-CE2 3.97Å; L392-F396 HydrophobicContact CD2-CD2 4.45Å; L392-F396 HydrophobicContact CD2-CE2 3.91Å; L392-F396 HydrophobicContact CG-CD2 3.87Å; L392-F396 HydrophobicContact CG-CE2 3.61Å; L392-F396 WeakPolarHBondContact O-CD2 3.47Å; L392-F396 PolarHBondContact O-N 2.98Å; L393-F396 PolarHBondContact O-N 2.86Å; F396-C398 VanDerWaalsContact C-N 3.33Å; F396-C398 PolarHBondContact O-N 3.45Å; F396-L399 WeakPolarHBondContact O-CB 3.46Å; F396-L399 PolarHBondContact O-N 2.94Å; F396-I400 VanDerWaalsContact O-CG1 3.29Å; F396-I400 WeakPolarHBondContact O-CG1 3.39Å; F396-I400 PolarHBondContact O-N 3.36Å
397F79.7Confident75.6Confident130 Ų13075.3 Ų75.357%0.5737%0.366SS*.Hα-helixtrans-59.5-44.7175177.2-96.7000111.4L393 F394 L399 I400 L401L393-F397 VanDerWaalsContact O-CB 3.3Å; L393-F397 WeakPolarHBondContact O-CB 3.46Å; L393-F397 PolarHBondContact O-N 3.24Å; F394-F397 PolarHBondContact O-N 3.44Å; F397-L399 VanDerWaalsContact C-N 3.34Å; F397-L399 PolarHBondContact O-N 2.99Å; F397-I400 PolarHBondContact O-N 3.41Å; F397-L401 HydrophobicContact CE1-CD2 4.47Å; F397-L401 WeakPolarHBondContact O-CB 3.29Å; F397-L401 PolarHBondContact O-N 3.47Å
398C80Confident76.6Confident36 Ų3672.1 Ų72.124%0.24335%0.353CS..Hα-helixtrans-61-41.6174.8-69.20000112F394 Y395 F396 L401 L402F394-C398 WeakPolarHBondContact O-CB 3.29Å; F394-C398 PolarHBondContact O-N 2.95Å; F394-C398 PolarHBondContact O-SG 3.08Å; Y395-C398 PolarHBondContact O-N 3.46Å; F396-C398 VanDerWaalsContact C-N 3.33Å; F396-C398 PolarHBondContact O-N 3.45Å; C398-L401 PolarHBondContact O-N 3.1Å; C398-L402 VanDerWaalsContact O-CB 3.24Å; C398-L402 WeakPolarHBondContact O-CB 3.28Å; C398-L402 PolarHBondContact O-N 3.22Å
399L76.6Confident77.5Confident51 Ų5167.8 Ų67.827%0.26733%0.332SS..Hα-helixtrans-65.1-42.2177.6-166.582.1000111.8L281 Y395 F396 F397 L402 F403L281-L399 HydrophobicContact CB-CD1 3.92Å; L281-L399 HydrophobicContact CD1-CD1 3.97Å; Y395-L399 WeakPolarHBondContact O-CB 3.46Å; Y395-L399 PolarHBondContact O-N 3.34Å; F396-L399 WeakPolarHBondContact O-CB 3.46Å; F396-L399 PolarHBondContact O-N 2.94Å; F397-L399 VanDerWaalsContact C-N 3.34Å; F397-L399 PolarHBondContact O-N 2.99Å; L399-L402 PolarHBondContact O-N 2.92Å; L399-F403 WeakPolarHBondContact O-CB 3.25Å; L399-F403 PolarHBondContact O-N 3.48Å
400I78.5Confident78.4Confident107 Ų10766.8 Ų66.855%0.54932%0.324SS..Hα-helixtrans-63.9-47.6175.9-68165.5000109.9F396 F397 L402 F403 V404F396-I400 VanDerWaalsContact O-CG1 3.29Å; F396-I400 WeakPolarHBondContact O-CG1 3.39Å; F396-I400 PolarHBondContact O-N 3.36Å; F397-I400 PolarHBondContact O-N 3.41Å; I400-L402 VanDerWaalsContact C-N 3.33Å; I400-L402 PolarHBondContact O-N 2.99Å; I400-F403 PolarHBondContact O-N 3.02Å; I400-V404 HydrophobicContact CG2-CG2 4.36Å; I400-V404 VanDerWaalsContact O-CG2 3.31Å; I400-V404 WeakPolarHBondContact O-CG2 3.31Å; I400-V404 PolarHBondContact O-N 3.05Å
401L84.5Confident79Confident81 Ų8165.8 Ų65.842%0.42432%0.32SS..Hα-helixtrans-59.3-45.1177.6-179.364.3000111.3F397 C398 F403 V404 L405F397-L401 HydrophobicContact CE1-CD2 4.47Å; F397-L401 WeakPolarHBondContact O-CB 3.29Å; F397-L401 PolarHBondContact O-N 3.47Å; C398-L401 PolarHBondContact O-N 3.1Å; L401-F403 VanDerWaalsContact C-N 3.33Å; L401-F403 PolarHBondContact O-N 2.97Å; L401-V404 PolarHBondContact O-N 3.4Å; L401-L405 HydrophobicContact CD1-CD1 4.27Å; L401-L405 HydrophobicContact CD1-CG 4.32Å; L401-L405 HydrophobicContact CG-CD1 4.08Å; L401-L405 WeakPolarHBondContact O-CB 3.45Å; L401-L405 WeakPolarHBondContact O-CG 3.4Å; L401-L405 PolarHBondContact O-N 2.94Å
402L81.5Confident79.3Confident21 Ų2165 Ų6511%0.1132%0.316CS..Hα-helixtrans-58.3-45.8176.1-170.482.8000111.5I277 V278 L281 C398 L399 I400 F406 F482I277-L402 HydrophobicContact CB-CD2 4.46Å; I277-L402 HydrophobicContact CG2-CD1 4.09Å; I277-L402 HydrophobicContact CG2-CD2 3.67Å; V278-L402 HydrophobicContact CG2-CD2 3.63Å; L281-L402 HydrophobicContact CD1-CD2 4.17Å; C398-L402 VanDerWaalsContact O-CB 3.24Å; C398-L402 WeakPolarHBondContact O-CB 3.28Å; C398-L402 PolarHBondContact O-N 3.22Å; L399-L402 PolarHBondContact O-N 2.92Å; I400-L402 VanDerWaalsContact C-N 3.33Å; I400-L402 PolarHBondContact O-N 2.99Å; L402-F406 VanDerWaalsContact O-CB 3.23Å; L402-F406 WeakPolarHBondContact O-CB 3.45Å; L402-F406 PolarHBondContact O-N 2.87Å; L402-F482 HydrophobicContact CD1-CD2 4.34Å; L402-F482 HydrophobicContact CD1-CE2 3.39Å; L402-F482 HydrophobicContact CD1-CZ 4.07Å; L402-F482 HydrophobicContact CG-CE2 4.29Å
403F80.8Confident79.8Confident116 Ų11662.9 Ų62.951%0.50930%0.304SS..Hα-helixtrans-64.7-42.9178.4-175.8-98.3000111.8L399 I400 L401 F406 R407L399-F403 WeakPolarHBondContact O-CB 3.25Å; L399-F403 PolarHBondContact O-N 3.48Å; I400-F403 PolarHBondContact O-N 3.02Å; L401-F403 VanDerWaalsContact C-N 3.33Å; L401-F403 PolarHBondContact O-N 2.97Å; F403-F406 PolarHBondContact O-N 3.15Å; F403-R407 HydrophobicContact CD1-CG 4.19Å; F403-R407 HydrophobicContact CE1-CG 3.87Å; F403-R407 HydrophobicContact CE2-CG 4.47Å; F403-R407 HydrophobicContact CZ-CG 4.03Å; F403-R407 WeakPolarHBondContact O-CB 3.44Å; F403-R407 WeakPolarHBondContact O-CG 3.44Å; F403-R407 PolarHBondContact O-N 3.21Å
404V83.1Confident80Confident68 Ų6862.8 Ų62.841%0.41230%0.3SS..Hα-helixtrans-62-49.2176.4170.60000110.9I400 L401 F406 R407 L408I400-V404 HydrophobicContact CG2-CG2 4.36Å; I400-V404 VanDerWaalsContact O-CG2 3.31Å; I400-V404 WeakPolarHBondContact O-CG2 3.31Å; I400-V404 PolarHBondContact O-N 3.05Å; L401-V404 PolarHBondContact O-N 3.4Å; V404-F406 VanDerWaalsContact C-N 3.31Å; V404-F406 PolarHBondContact O-N 3.09Å; V404-R407 PolarHBondContact O-N 3.33Å; V404-L408 HydrophobicContact CG1-CD1 4.02Å; V404-L408 HydrophobicContact CG1-CG 4.47Å; V404-L408 WeakPolarHBondContact O-CB 3.41Å; V404-L408 VanDerWaalsContact O-CG 3.32Å; V404-L408 WeakPolarHBondContact O-CG 3.47Å; V404-L408 PolarHBondContact O-N 3.37Å
405L85.5Confident79.9Confident14 Ų1463.7 Ų63.77%0.07330%0.303CS..Hα-helixtrans-61.9-40.1178.5-70.2173.7000112.1L401 L408 L409 C478 L479 F482L401-L405 HydrophobicContact CD1-CD1 4.27Å; L401-L405 HydrophobicContact CD1-CG 4.32Å; L401-L405 HydrophobicContact CG-CD1 4.08Å; L401-L405 WeakPolarHBondContact O-CB 3.45Å; L401-L405 WeakPolarHBondContact O-CG 3.4Å; L401-L405 PolarHBondContact O-N 2.94Å; L405-L408 PolarHBondContact O-N 3.5Å; L405-L409 WeakPolarHBondContact O-CB 3.39Å; L405-L409 PolarHBondContact O-N 3.34Å; L405-C478 HydrophobicContact CD2-CB 4.23Å; L405-C478 WeakPolarHBondContact CD2-SG 3.41Å; L405-L479 HydrophobicContact CD2-CD2 4.42Å; L405-L479 VanDerWaalsContact O-CD2 3.24Å; L405-L479 WeakPolarHBondContact O-CD2 3.35Å; L405-F482 HydrophobicContact CB-CD1 3.99Å; L405-F482 HydrophobicContact CB-CD2 4.46Å; L405-F482 HydrophobicContact CB-CE1 4.11Å; L405-F482 HydrophobicContact CB-CG 4.15Å; L405-F482 HydrophobicContact CB-CZ 4.41Å; L405-F482 HydrophobicContact CD1-CB 4.37Å; L405-F482 HydrophobicContact CD1-CD2 4.29Å; L405-F482 HydrophobicContact CD1-CG 4.29Å
406F82.1Confident79.8Confident12 Ų1262.1 Ų62.15%0.05330%0.299CS..Hα-helixtrans-65.9-42176.1177.6-105.5000112.5L274 L402 F403 V404 L408 L409 E410 F482L274-F406 HydrophobicContact CD1-CB 4.17Å; L274-F406 HydrophobicContact CD1-CD2 3.74Å; L274-F406 HydrophobicContact CD1-CE2 4.35Å; L274-F406 HydrophobicContact CD1-CG 3.94Å; L274-F406 HydrophobicContact CD2-CD1 4.23Å; L274-F406 HydrophobicContact CD2-CD2 3.53Å; L274-F406 HydrophobicContact CD2-CE1 3.99Å; L274-F406 HydrophobicContact CD2-CE2 3.26Å; L274-F406 HydrophobicContact CD2-CG 4Å; L274-F406 HydrophobicContact CD2-CZ 3.49Å; L274-F406 VanDerWaalsContact CD2-CZ 3.49Å; L274-F406 HydrophobicContact CG-CD2 4.26Å; L274-F406 HydrophobicContact CG-CE2 4.4Å; L402-F406 VanDerWaalsContact O-CB 3.23Å; L402-F406 WeakPolarHBondContact O-CB 3.45Å; L402-F406 PolarHBondContact O-N 2.87Å; F403-F406 PolarHBondContact O-N 3.15Å; V404-F406 VanDerWaalsContact C-N 3.31Å; V404-F406 PolarHBondContact O-N 3.09Å; F406-L408 VanDerWaalsContact C-N 3.34Å; F406-L408 PolarHBondContact O-N 2.94Å; F406-L409 WeakPolarHBondContact O-CB 3.27Å; F406-L409 PolarHBondContact O-N 2.91Å; F406-E410 HydrophobicContact CD1-CG 4.5Å; F406-E410 HydrophobicContact CE1-CG 3.98Å; F406-E410 WeakPolarHBondContact CE1-OE1 3.33Å; F406-E410 HydrophobicContact CE2-CG 4.14Å; F406-E410 VanDerWaalsContact CZ-CD 3.44Å; F406-E410 HydrophobicContact CZ-CG 3.78Å; F406-E410 WeakPolarHBondContact CZ-OE1 3.48Å; F406-E410 PolarHBondContact O-N 3.48Å; F406-F482 HydrophobicContact CB-CE1 4.19Å; F406-F482 HydrophobicContact CB-CZ 4.15Å
407R81.1Confident79.9Confident118 Ų11858.5 Ų58.545%0.44528%0.284SS..Hα-helixtrans-65.2-37.5174.3-73-57.7-168.4-179.47.6112.8F403 V404 E410 S411F403-R407 HydrophobicContact CD1-CG 4.19Å; F403-R407 HydrophobicContact CE1-CG 3.87Å; F403-R407 HydrophobicContact CE2-CG 4.47Å; F403-R407 HydrophobicContact CZ-CG 4.03Å; F403-R407 WeakPolarHBondContact O-CB 3.44Å; F403-R407 WeakPolarHBondContact O-CG 3.44Å; F403-R407 PolarHBondContact O-N 3.21Å; V404-R407 PolarHBondContact O-N 3.33Å; R407-E410 IonicContact CZ-OE2 2.94Å; R407-E410 IonicContact NE-OE2 3.76Å; R407-E410 IonicContact NH1-OE2 2.79Å; R407-E410 PolarHBondContact NH1-OE2 3.28Å; R407-E410 PolarHBondContact O-N 2.81Å; R407-S411 WeakPolarHBondContact O-CB 3.49Å; R407-S411 PolarHBondContact O-N 3.49Å; R407-S411 PolarHBondContact O-OG 3.39Å
408L83.3Confident79.7Confident48 Ų4855.9 Ų55.925%0.25128%0.275SS..Hα-helixtrans-61.6-46.4172-72.8171.2000110.5V404 L405 F406 S411 F412 F475 L479V404-L408 HydrophobicContact CG1-CD1 4.02Å; V404-L408 HydrophobicContact CG1-CG 4.47Å; V404-L408 WeakPolarHBondContact O-CB 3.41Å; V404-L408 VanDerWaalsContact O-CG 3.32Å; V404-L408 WeakPolarHBondContact O-CG 3.47Å; V404-L408 PolarHBondContact O-N 3.37Å; L405-L408 PolarHBondContact O-N 3.5Å; F406-L408 VanDerWaalsContact C-N 3.34Å; F406-L408 PolarHBondContact O-N 2.94Å; L408-S411 WeakPolarHBondContact O-CB 3.24Å; L408-S411 PolarHBondContact O-N 2.85Å; L408-S411 VanDerWaalsContact O-N 3.16Å; L408-F412 WeakPolarHBondContact O-CD2 3.31Å; L408-F412 PolarHBondContact O-N 3.36Å; L408-F475 HydrophobicContact CD1-CD1 3.82Å; L408-F475 HydrophobicContact CD1-CE1 3.94Å; L408-L479 HydrophobicContact CB-CD1 4.46Å; L408-L479 HydrophobicContact CB-CD2 4.14Å
409L82Confident79.2Confident0 Ų058.9 Ų58.90%029%0.289CS..Hα-helixtrans-58-49.6176-178.263.7000112.2L405 F406 S411 F412 V413 L479 F482 L483 L535 F670L405-L409 WeakPolarHBondContact O-CB 3.39Å; L405-L409 PolarHBondContact O-N 3.34Å; F406-L409 WeakPolarHBondContact O-CB 3.27Å; F406-L409 PolarHBondContact O-N 2.91Å; L409-S411 VanDerWaalsContact C-N 3.26Å; L409-S411 PolarHBondContact O-N 2.94Å; L409-F412 PolarHBondContact O-N 2.97Å; L409-V413 WeakPolarHBondContact O-CG2 3.36Å; L409-V413 PolarHBondContact O-N 3.47Å; L409-L479 HydrophobicContact CB-CD2 4Å; L409-F482 HydrophobicContact CD2-CE1 4.33Å; L409-L483 HydrophobicContact CD1-CD1 4.28Å; L409-L483 HydrophobicContact CD1-CD2 4.38Å; L409-L483 HydrophobicContact CD1-CG 4.42Å; L409-L483 HydrophobicContact CD2-CD2 3.69Å; L409-L483 HydrophobicContact CD2-CG 4.37Å; L409-L535 HydrophobicContact CD1-CD1 3.78Å; L409-L535 HydrophobicContact CD1-CD2 4.07Å; L409-L535 HydrophobicContact CD1-CG 4.31Å; L409-F670 HydrophobicContact CD2-CE1 4.24Å; L409-F670 HydrophobicContact CD2-CZ 3.84Å; L409-F670 HydrophobicContact CG-CE1 4.41Å; L409-F670 HydrophobicContact CG-CZ 4.48Å
410E80.6Confident78.7Confident16 Ų1657.4 Ų57.48%0.07528%0.281CS..Hα-helixtrans-58.2-39.8175.8-73.8-172.7150.600111.6F406 R407 V413 F414 S674F406-E410 HydrophobicContact CD1-CG 4.5Å; F406-E410 HydrophobicContact CE1-CG 3.98Å; F406-E410 WeakPolarHBondContact CE1-OE1 3.33Å; F406-E410 HydrophobicContact CE2-CG 4.14Å; F406-E410 VanDerWaalsContact CZ-CD 3.44Å; F406-E410 HydrophobicContact CZ-CG 3.78Å; F406-E410 WeakPolarHBondContact CZ-OE1 3.48Å; F406-E410 PolarHBondContact O-N 3.48Å; R407-E410 IonicContact CZ-OE2 2.94Å; R407-E410 IonicContact NE-OE2 3.76Å; R407-E410 IonicContact NH1-OE2 2.79Å; R407-E410 PolarHBondContact NH1-OE2 3.28Å; R407-E410 PolarHBondContact O-N 2.81Å; E410-V413 PolarHBondContact O-N 2.72Å; E410-F414 VanDerWaalsContact O-CB 3.29Å; E410-F414 WeakPolarHBondContact O-CB 3.41Å; E410-F414 PolarHBondContact O-N 2.94Å; E410-S674 PolarHBondContact OE1-OG 3.21Å
411S80.8Confident78.4Confident54 Ų5455.8 Ų55.838%0.37827%0.273SS..Hα-helixtrans-64.7-45.7177.8-57.20000111.6R407 L408 L409 V413 F414 F415R407-S411 WeakPolarHBondContact O-CB 3.49Å; R407-S411 PolarHBondContact O-N 3.49Å; R407-S411 PolarHBondContact O-OG 3.39Å; L408-S411 WeakPolarHBondContact O-CB 3.24Å; L408-S411 PolarHBondContact O-N 2.85Å; L408-S411 VanDerWaalsContact O-N 3.16Å; L409-S411 VanDerWaalsContact C-N 3.26Å; L409-S411 PolarHBondContact O-N 2.94Å; S411-V413 PolarHBondContact O-N 2.85Å; S411-F414 PolarHBondContact O-N 3.22Å; S411-F415 WeakPolarHBondContact O-CD2 3.47Å; S411-F415 PolarHBondContact O-N 2.91Å
412F76.5Confident77.9Confident60 Ų6059.4 Ų59.426%0.26328%0.281SS..Hα-helixtrans-59.5-45.5175.9-92.3-83.9000112.2L408 L409 F414 F415 N416 L479 L535L408-F412 WeakPolarHBondContact O-CD2 3.31Å; L408-F412 PolarHBondContact O-N 3.36Å; L409-F412 PolarHBondContact O-N 2.97Å; F412-F414 VanDerWaalsContact C-N 3.32Å; F412-F414 PolarHBondContact O-N 3.41Å; F412-F415 PolarHBondContact O-N 3.33Å; F412-N416 WeakPolarHBondContact O-CB 3.23Å; F412-N416 PolarHBondContact O-N 2.95Å; F412-L479 HydrophobicContact CD2-CD1 3.51Å; F412-L479 HydrophobicContact CE2-CD1 3.65Å; F412-L479 HydrophobicContact CG-CD1 4.36Å; F412-L535 HydrophobicContact CB-CD2 3.8Å; F412-L535 HydrophobicContact CD1-CD2 4.21Å; F412-L535 HydrophobicContact CD2-CD2 4.36Å; F412-L535 HydrophobicContact CG-CD2 3.88Å
413V78.6Confident77.1Confident0 Ų059.9 Ų59.90%029%0.287CS..Hα-helixtrans-61.5-42.5176.6170.60000110.9L409 E410 S411 N416 I417 L533 N667 F670L409-V413 WeakPolarHBondContact O-CG2 3.36Å; L409-V413 PolarHBondContact O-N 3.47Å; E410-V413 PolarHBondContact O-N 2.72Å; S411-V413 PolarHBondContact O-N 2.85Å; V413-N416 PolarHBondContact O-N 3.3Å; V413-I417 HydrophobicContact CG1-CD1 4.12Å; V413-I417 WeakPolarHBondContact O-CG1 3.35Å; V413-I417 PolarHBondContact O-N 2.8Å; V413-L533 HydrophobicContact CG2-CB 4.22Å; V413-L533 HydrophobicContact CG2-CD2 3.63Å; V413-L533 HydrophobicContact CG2-CG 4.48Å; V413-N667 HydrophobicContact CG1-CB 3.83Å; V413-N667 WeakPolarHBondContact CG1-OD1 3.34Å; V413-F670 HydrophobicContact CG1-CD1 4.48Å; V413-F670 HydrophobicContact CG2-CD1 4.32Å; V413-F670 HydrophobicContact CG2-CE1 4.36Å
414F78.4Confident76.4Confident107 Ų10756.4 Ų56.447%0.46927%0.272SS..Hα-helixtrans-64.7-43.9177.6-175.6-102.2000112.5E410 S411 F412 N416 I417 I418 L671E410-F414 VanDerWaalsContact O-CB 3.29Å; E410-F414 WeakPolarHBondContact O-CB 3.41Å; E410-F414 PolarHBondContact O-N 2.94Å; S411-F414 PolarHBondContact O-N 3.22Å; F412-F414 VanDerWaalsContact C-N 3.32Å; F412-F414 PolarHBondContact O-N 3.41Å; F414-N416 VanDerWaalsContact C-N 3.32Å; F414-N416 PolarHBondContact O-N 3.43Å; F414-I417 WeakPolarHBondContact O-CB 3.34Å; F414-I417 PolarHBondContact O-N 3.42Å; F414-I418 HydrophobicContact CD1-CD1 3.72Å; F414-I418 HydrophobicContact CD1-CG1 4.48Å; F414-I418 HydrophobicContact CE1-CD1 3.24Å; F414-I418 HydrophobicContact CE1-CG1 4.19Å; F414-I418 HydrophobicContact CZ-CD1 3.74Å; F414-I418 HydrophobicContact CZ-CG1 4.36Å; F414-I418 WeakPolarHBondContact O-CG1 3.32Å; F414-I418 PolarHBondContact O-N 3.23Å; F414-L671 HydrophobicContact CD2-CD1 4.41Å
415F77.2Confident75.7Confident141 Ų14158.1 Ų58.162%0.61828%0.283SS*.Hα-helixtrans-60.7-41.7173.6-77.3-63.7000111.8S411 F412 I417 I418 D419S411-F415 WeakPolarHBondContact O-CD2 3.47Å; S411-F415 PolarHBondContact O-N 2.91Å; F412-F415 PolarHBondContact O-N 3.33Å; F415-I417 PolarHBondContact O-N 3.48Å; F415-I418 PolarHBondContact O-N 2.84Å; F415-D419 WeakPolarHBondContact O-CB 3.33Å; F415-D419 PolarHBondContact O-N 2.78Å
416N71.7Confident74.8Confident32 Ų3263.3 Ų63.317%0.17131%0.305CS..Hα-helixtrans-62.8-40.3175.5-175.231.4000112F412 V413 F414 D419 L420 L532 L533 G534F412-N416 WeakPolarHBondContact O-CB 3.23Å; F412-N416 PolarHBondContact O-N 2.95Å; V413-N416 PolarHBondContact O-N 3.3Å; F414-N416 VanDerWaalsContact C-N 3.32Å; F414-N416 PolarHBondContact O-N 3.43Å; N416-D419 PolarHBondContact O-N 2.95Å; N416-L420 WeakPolarHBondContact O-CB 3.47Å; N416-L420 PolarHBondContact O-N 2.74Å; N416-L532 PolarHBondContact ND2-O 3Å; N416-L533 PolarHBondContact ND2-O 3.48Å; N416-G534 VanDerWaalsContact ND2-CA 3.3Å; N416-G534 WeakPolarHBondContact ND2-CA 3.35Å; N416-G534 PolarHBondContact ND2-N 2.7Å
417I74.6Confident73.4Confident16 Ų1664.8 Ų64.88%0.08232%0.323CS..Hα-helixtrans-60.2-46.3172.9-70.9166.3000110.7V413 F414 F415 L420 L421 L664 N667 I668 L671V413-I417 HydrophobicContact CG1-CD1 4.12Å; V413-I417 WeakPolarHBondContact O-CG1 3.35Å; V413-I417 PolarHBondContact O-N 2.8Å; F414-I417 WeakPolarHBondContact O-CB 3.34Å; F414-I417 PolarHBondContact O-N 3.42Å; F415-I417 PolarHBondContact O-N 3.48Å; I417-L420 PolarHBondContact O-N 2.9Å; I417-L421 HydrophobicContact CG2-CD1 3.71Å; I417-L421 HydrophobicContact CG2-CG 4.3Å; I417-L421 WeakPolarHBondContact O-CB 3.47Å; I417-L421 VanDerWaalsContact O-CG 3.25Å; I417-L421 WeakPolarHBondContact O-CG 3.07Å; I417-L421 PolarHBondContact O-N 2.88Å; I417-L664 HydrophobicContact CB-CD1 4.42Å; I417-L664 HydrophobicContact CG1-CD1 4.36Å; I417-L664 HydrophobicContact CG2-CD1 3.71Å; I417-N667 HydrophobicContact CD1-CB 3.8Å; I417-N667 HydrophobicContact CG1-CB 3.64Å; I417-I668 HydrophobicContact CD1-CG1 4.31Å; I417-L671 HydrophobicContact CD1-CD1 4.47Å
418I76Confident71.5Confident76 Ų7665.9 Ų65.939%0.3934%0.338SS..Hα-helixtrans-62.4-47.2178.9-71173.5000110.8F414 F415 L420 L421 W422F414-I418 HydrophobicContact CD1-CD1 3.72Å; F414-I418 HydrophobicContact CD1-CG1 4.48Å; F414-I418 HydrophobicContact CE1-CD1 3.24Å; F414-I418 HydrophobicContact CE1-CG1 4.19Å; F414-I418 HydrophobicContact CZ-CD1 3.74Å; F414-I418 HydrophobicContact CZ-CG1 4.36Å; F414-I418 WeakPolarHBondContact O-CG1 3.32Å; F414-I418 PolarHBondContact O-N 3.23Å; F415-I418 PolarHBondContact O-N 2.84Å; I418-L420 VanDerWaalsContact C-N 3.3Å; I418-L420 PolarHBondContact O-N 3.02Å; I418-L421 PolarHBondContact O-N 3.48Å; I418-W422 VanDerWaalsContact O-CB 3.23Å; I418-W422 WeakPolarHBondContact O-CB 3.07Å; I418-W422 PolarHBondContact O-N 3.28Å
419D68.7Low69.5Low99 Ų9970.8 Ų70.853%0.52935%0.354SS..Hα-helixtrans-62.6-40.2-179.4-173.453000111.7F415 N416 W422 S423F415-D419 WeakPolarHBondContact O-CB 3.33Å; F415-D419 PolarHBondContact O-N 2.78Å; N416-D419 PolarHBondContact O-N 2.95Å; D419-W422 PolarHBondContact O-N 2.95Å; D419-S423 VanDerWaalsContact O-CB 3.25Å; D419-S423 WeakPolarHBondContact O-CB 3.25Å; D419-S423 PolarHBondContact O-N 3.26Å; D419-S423 PolarHBondContact O-OG 3.27Å
420L67.1Low67Low20 Ų2076.4 Ų76.411%0.10539%0.385CS..Hα-helixtrans-66.3-45175.8-17166.7000112N416 I417 I418 S423 M424 G660 I663 L664N416-L420 WeakPolarHBondContact O-CB 3.47Å; N416-L420 PolarHBondContact O-N 2.74Å; I417-L420 PolarHBondContact O-N 2.9Å; I418-L420 VanDerWaalsContact C-N 3.3Å; I418-L420 PolarHBondContact O-N 3.02Å; L420-S423 PolarHBondContact O-N 3.43Å; L420-M424 HydrophobicContact CG-SD 4.32Å; L420-M424 WeakPolarHBondContact O-CB 3.29Å; L420-M424 VanDerWaalsContact O-CG 3.22Å; L420-M424 WeakPolarHBondContact O-CG 3.24Å; L420-M424 PolarHBondContact O-N 3.3Å; L420-G660 WeakPolarHBondContact CD2-O 3.23Å; L420-I663 HydrophobicContact CD2-CB 4.12Å; L420-I663 HydrophobicContact CD2-CG2 3.99Å; L420-L664 HydrophobicContact CD2-CB 3.9Å; L420-L664 HydrophobicContact CD2-CD1 4.45Å
421L72.3Confident64.6Low72 Ų7278.2 Ų78.238%0.37740%0.399SS..Hα-helixtrans-64.3-43.1175.5-75.1171.8000111.3I417 I418 S423 M424 V425 L664I417-L421 HydrophobicContact CG2-CD1 3.71Å; I417-L421 HydrophobicContact CG2-CG 4.3Å; I417-L421 WeakPolarHBondContact O-CB 3.47Å; I417-L421 VanDerWaalsContact O-CG 3.25Å; I417-L421 WeakPolarHBondContact O-CG 3.07Å; I417-L421 PolarHBondContact O-N 2.88Å; I418-L421 PolarHBondContact O-N 3.48Å; L421-S423 VanDerWaalsContact C-N 3.33Å; L421-S423 PolarHBondContact O-N 3.38Å; L421-M424 PolarHBondContact O-N 3.42Å; L421-V425 WeakPolarHBondContact O-CB 3.36Å; L421-V425 WeakPolarHBondContact O-CG2 2.94Å; L421-V425 PolarHBondContact O-N 2.85Å; L421-L664 HydrophobicContact CD1-CD1 4.44Å; L421-L664 HydrophobicContact CD2-CD1 4.12Å; L421-L664 HydrophobicContact CD2-CD2 3.89Å; L421-L664 HydrophobicContact CG-CD1 4.04Å
422W73.3Confident62.2Low157 Ų15784.1 Ų84.160%0.59542%0.418SS*.Hα-helixtrans-59.1-47176.2-176-91000110.7I418 D419 M424 V425 F426I418-W422 VanDerWaalsContact O-CB 3.23Å; I418-W422 WeakPolarHBondContact O-CB 3.07Å; I418-W422 PolarHBondContact O-N 3.28Å; D419-W422 PolarHBondContact O-N 2.95Å; W422-M424 VanDerWaalsContact C-N 3.33Å; W422-M424 PolarHBondContact O-N 2.92Å; W422-V425 PolarHBondContact O-N 3.12Å; W422-F426 AromaticContact CD2-CD2 3.52Å; W422-F426 HydrophobicContact CD2-CD2 3.52Å; W422-F426 AromaticContact CD2-CE2 3.97Å; W422-F426 HydrophobicContact CD2-CE2 3.97Å; W422-F426 HydrophobicContact CD2-CG 4.48Å; W422-F426 AromaticContact CE2-CD2 3.73Å; W422-F426 AromaticContact CE3-CD2 3.52Å; W422-F426 HydrophobicContact CE3-CD2 3.52Å; W422-F426 AromaticContact CE3-CE2 3.44Å; W422-F426 HydrophobicContact CE3-CE2 3.44Å; W422-F426 VanDerWaalsContact CE3-CE2 3.44Å; W422-F426 HydrophobicContact CG-CD2 4.14Å; W422-F426 AromaticContact CH2-CD2 3.92Å; W422-F426 HydrophobicContact CH2-CD2 3.92Å; W422-F426 AromaticContact CH2-CE2 3.78Å; W422-F426 HydrophobicContact CH2-CE2 3.78Å; W422-F426 HydrophobicContact CH2-CZ 4.31Å; W422-F426 AromaticContact CZ2-CD2 3.93Å; W422-F426 HydrophobicContact CZ2-CD2 3.93Å; W422-F426 HydrophobicContact CZ2-CE2 4.28Å; W422-F426 HydrophobicContact CZ2-CG 4.33Å; W422-F426 AromaticContact CZ3-CD2 3.72Å; W422-F426 HydrophobicContact CZ3-CD2 3.72Å; W422-F426 AromaticContact CZ3-CE2 3.33Å; W422-F426 HydrophobicContact CZ3-CE2 3.33Å; W422-F426 HydrophobicContact CZ3-CZ 4.1Å; W422-F426 PolarHBondContact O-N 3.5Å
423S64.4Low60Low32 Ų3287.6 Ų87.622%0.22444%0.439CS..Hα-helixtrans-61.7-38.6175.5-66.20000112.6D419 L420 L421 G427D419-S423 VanDerWaalsContact O-CB 3.25Å; D419-S423 WeakPolarHBondContact O-CB 3.25Å; D419-S423 PolarHBondContact O-N 3.26Å; D419-S423 PolarHBondContact O-OG 3.27Å; L420-S423 PolarHBondContact O-N 3.43Å; L421-S423 VanDerWaalsContact C-N 3.33Å; L421-S423 PolarHBondContact O-N 3.38Å; S423-G427 PolarHBondContact O-N 3.4Å
424M66.5Low57.7Low43 Ų4392 Ų9221%0.21247%0.47CS..Hα-helixtrans-72.5-39.1178-74.8176.876.200112.9L420 L421 W422 Y657L420-M424 HydrophobicContact CG-SD 4.32Å; L420-M424 WeakPolarHBondContact O-CB 3.29Å; L420-M424 VanDerWaalsContact O-CG 3.22Å; L420-M424 WeakPolarHBondContact O-CG 3.24Å; L420-M424 PolarHBondContact O-N 3.3Å; L421-M424 PolarHBondContact O-N 3.42Å; W422-M424 VanDerWaalsContact C-N 3.33Å; W422-M424 PolarHBondContact O-N 2.92Å; M424-Y657 HydrophobicContact CB-CE1 4.44Å; M424-Y657 HydrophobicContact CE-CD1 4.1Å; M424-Y657 HydrophobicContact CG-CD1 4.5Å
425V68.9Low55.2Low103 Ų10390.1 Ų90.162%0.62447%0.47SS*.Hα-helixtrans-81.3-47.7-174.8172.40000111.6L421 W422L421-V425 WeakPolarHBondContact O-CB 3.36Å; L421-V425 WeakPolarHBondContact O-CG2 2.94Å; L421-V425 PolarHBondContact O-N 2.85Å; W422-V425 PolarHBondContact O-N 3.12Å
426F66.6Low52.8Low123 Ų12387 Ų8754%0.53947%0.466SS..Hα-helixtrans-96-8.7-172.7-65.8-72.6000113.9W422 N428W422-F426 AromaticContact CD2-CD2 3.52Å; W422-F426 HydrophobicContact CD2-CD2 3.52Å; W422-F426 AromaticContact CD2-CE2 3.97Å; W422-F426 HydrophobicContact CD2-CE2 3.97Å; W422-F426 HydrophobicContact CD2-CG 4.48Å; W422-F426 AromaticContact CE2-CD2 3.73Å; W422-F426 AromaticContact CE3-CD2 3.52Å; W422-F426 HydrophobicContact CE3-CD2 3.52Å; W422-F426 AromaticContact CE3-CE2 3.44Å; W422-F426 HydrophobicContact CE3-CE2 3.44Å; W422-F426 VanDerWaalsContact CE3-CE2 3.44Å; W422-F426 HydrophobicContact CG-CD2 4.14Å; W422-F426 AromaticContact CH2-CD2 3.92Å; W422-F426 HydrophobicContact CH2-CD2 3.92Å; W422-F426 AromaticContact CH2-CE2 3.78Å; W422-F426 HydrophobicContact CH2-CE2 3.78Å; W422-F426 HydrophobicContact CH2-CZ 4.31Å; W422-F426 AromaticContact CZ2-CD2 3.93Å; W422-F426 HydrophobicContact CZ2-CD2 3.93Å; W422-F426 HydrophobicContact CZ2-CE2 4.28Å; W422-F426 HydrophobicContact CZ2-CG 4.33Å; W422-F426 AromaticContact CZ3-CD2 3.72Å; W422-F426 HydrophobicContact CZ3-CD2 3.72Å; W422-F426 AromaticContact CZ3-CE2 3.33Å; W422-F426 HydrophobicContact CZ3-CE2 3.33Å; W422-F426 HydrophobicContact CZ3-CZ 4.1Å; W422-F426 PolarHBondContact O-N 3.5Å; F426-N428 PolarHBondContact O-N 2.87Å
427G53.3Low50.8Low43 Ų4392.3 Ų92.344%0.44348%0.484SS..  trans45.334.7154.500000116.6S423S423-G427 PolarHBondContact O-N 3.4Å
428N40.2Very low48.4Very low142 Ų14298.7 Ų98.776%0.75952%0.518SS*.  trans-115.675.3173.9-131.916.1000107.3F426 D430F426-N428 PolarHBondContact O-N 2.87Å; N428-D430 PolarHBondContact O-N 3.47Å
429Y42.3Very low46Very low150 Ų150100.6 Ų100.659%0.58853%0.533SS*.  trans-7455.8169.9-112.7-85.8000109.4S431 P655Y429-S431 VanDerWaalsContact C-N 3.28Å; Y429-S431 PolarHBondContact O-N 2.99Å; Y429-P655 HydrophobicContact CE2-CG 3.99Å
430D28.8Very low43.9Very low119 Ų119101.8 Ų101.864%0.63654%0.544SS*.  trans-76.391167.3-120.7-7.2000106.8N428 K432N428-D430 PolarHBondContact O-N 3.47Å; D430-K432 PolarHBondContact O-N 3.33Å
431S31.2Very low42Very low54 Ų54106.4 Ų106.438%0.37858%0.575SS.*  trans36.82415173.40000120.2Y429 D433 S434 S435Y429-S431 VanDerWaalsContact C-N 3.28Å; Y429-S431 PolarHBondContact O-N 2.99Å; S431-D433 PolarHBondContact O-N 2.96Å; S431-S434 PolarHBondContact O-N 3.04Å; S431-S434 VanDerWaalsContact O-N 3.11Å; S431-S435 PolarHBondContact O-N 3.12Å; S431-S435 PolarHBondContact O-OG 3.2Å; S431-S435 PolarHBondContact OG-OG 3.3Å
432K29Very low39.8Very low177 Ų177112 Ų11277%0.7760%0.6SS**THydrogen-bonded Turntrans-71.7-5.7-172.2-99.1-176.8177.1176.80115.2D430 S436D430-K432 PolarHBondContact O-N 3.33Å; K432-S436 PolarHBondContact O-OG 3.12Å
433D31.9Very low37.7Very low134 Ų134110 Ų11072%0.71761%0.609SS**THydrogen-bonded Turntrans-118.110171.4-69.9-29.9000114.7S431S431-D433 PolarHBondContact O-N 2.96Å
434S28.6Very low35.8Very low93 Ų93117.6 Ų117.665%0.6564%0.638SS**THydrogen-bonded Turntrans-122.3-5.9169.843.20000114.4S431S431-S434 PolarHBondContact O-N 3.04Å; S431-S434 VanDerWaalsContact O-N 3.11Å
435S26.8Very low33.9Very low67 Ų67125 Ų12547%0.46967%0.665SS.*SBendtrans-121.9-6.5175.8610000115.3S431 Y437S431-S435 PolarHBondContact O-N 3.12Å; S431-S435 PolarHBondContact O-OG 3.2Å; S431-S435 PolarHBondContact OG-OG 3.3Å; S435-Y437 VanDerWaalsContact C-N 3.3Å; S435-Y437 PolarHBondContact O-N 3.42Å
436S27.1Very low32.1Very low75 Ų75131.1 Ų131.152%0.52468%0.679SS.*THydrogen-bonded Turntrans-87.45.2175.262.40000114.4K432K432-S436 PolarHBondContact O-OG 3.12Å
437Y29.4Very low30.2Very low143 Ų143130.8 Ų130.856%0.56169%0.692SS**THydrogen-bonded Turntrans-109.98.3170.7-60.3-79.3000112.8S435 V439S435-Y437 VanDerWaalsContact C-N 3.3Å; S435-Y437 PolarHBondContact O-N 3.42Å; Y437-V439 PolarHBondContact O-N 3.07Å
438L23.5Very low29.2Very low150 Ų150134.3 Ų134.379%0.78571%0.709SS**SBendtrans-84.6102.9168.7-139.289.5000108.5T440L438-T440 PolarHBondContact O-N 2.85Å
439V26.5Very low28.7Very low116 Ų116135.7 Ų135.770%0.70372%0.716SS**  trans-24.7115.9163.8174.90000111.4Y437 P441Y437-V439 PolarHBondContact O-N 3.07Å; V439-P441 VanDerWaalsContact O-CD 3.31Å; V439-P441 WeakPolarHBondContact O-CD 3.3Å
440T24.1Very low28.1Very low124 Ų124134.6 Ų134.676%0.76173%0.727SS**  trans-60115.6154.642.30000106.7L438 E442L438-T440 PolarHBondContact O-N 2.85Å; T440-E442 VanDerWaalsContact C-N 3.3Å; T440-E442 PolarHBondContact O-N 3.44Å
441P26.4Very low28Very low117 Ų117132.2 Ų132.276%0.7673%0.731SS**  trans-82.183-174.533.2-30.5000108.6V439V439-P441 VanDerWaalsContact O-CD 3.31Å; V439-P441 WeakPolarHBondContact O-CD 3.3Å
442E27.3Very low27.7Very low191 Ų191138 Ų13889%0.89376%0.757SS**  trans-108.965.1161.5-75.3-163.2163.200109.8T440T440-E442 VanDerWaalsContact C-N 3.3Å; T440-E442 PolarHBondContact O-N 3.44Å
443S28.7Very low27.7Very low113 Ų113133.9 Ų133.979%0.7975%0.751SS**SBendtrans-152.9122.8146.255.70000109.6
444K24.7Very low27.5Very low192 Ų192131.3 Ų131.384%0.83575%0.748SS**  trans-65.4152.9-176.7-76.4165.5161.4168.20111.9
445Y26Very low27.5Very low200 Ų200131.7 Ų131.778%0.78474%0.743SS**  trans74.994.9168.3-69.1-86.9000116.1
446Y32.5Very low28Very low231 Ų231138.2 Ų138.291%0.90676%0.759SS**  -176.9121.5101.6-83.9-73000108.4
447S25.7Very low28.4Very low116 Ų116139.1 Ų139.181%0.81176%0.758SS**  trans-88.8121.1-178.848.40000111.3
448S33.2Very low29.3Very low116 Ų116135.9 Ų135.981%0.81175%0.747SS**  trans-176.7116.7144.851.90000113.3
449L29Very low30.4Very low172 Ų172133.2 Ų133.290%0.90174%0.737SS**  trans71.1124148.6-129.670.9000121.3G451L449-G451 PolarHBondContact O-N 2.78Å
450P29Very low31.8Very low126 Ų126128.7 Ų128.782%0.81871%0.709SS**  trans-86.4111.6175.934-28.1000110.5
451G28.2Very low33.3Very low70 Ų70123.5 Ų123.572%0.72268%0.679SS**  trans-109.2120.9173.600000111.1L449 S453L449-G451 PolarHBondContact O-N 2.78Å; G451-S453 PolarHBondContact O-N 3.35Å; G451-S453 VanDerWaalsContact O-N 3.14Å
452N24.5Very low34.5Very low174 Ų174124 Ų12493%0.9368%0.675SS**  trans-59.7104.8178-73.1-31.3000112.7
453S28Very low35.8Very low92 Ų92121.1 Ų121.164%0.64366%0.659SS**  trans-170.1112.5144.445.80000108.3G451 D455G451-S453 PolarHBondContact O-N 3.35Å; G451-S453 VanDerWaalsContact O-N 3.14Å; S453-D455 VanDerWaalsContact C-N 3.27Å; S453-D455 PolarHBondContact O-N 3.03Å
454A29.3Very low37.1Very low79 Ų79117.3 Ų117.365%0.65363%0.632SS**  trans-71.290.1170.700000107.9Y456A454-Y456 HydrophobicContact CB-CE2 4.11Å; A454-Y456 VanDerWaalsContact O-CD2 3.23Å; A454-Y456 WeakPolarHBondContact O-CD2 3.19Å; A454-Y456 PolarHBondContact O-N 3.49Å
455D28.6Very low38.6Very low101 Ų101109.8 Ų109.854%0.5460%0.602SS.*  trans-61.895.9169.2-92.9-18.5000108.9S453 N457 K586S453-D455 VanDerWaalsContact C-N 3.27Å; S453-D455 PolarHBondContact O-N 3.03Å; D455-N457 PolarHBondContact O-N 3.1Å; D455-K586 IonicContact OD1-NZ 3.79Å; D455-K586 PolarHBondContact OD1-NZ 3.3Å; D455-K586 IonicContact OD2-NZ 2.72Å; D455-K586 PolarHBondContact OD2-NZ 3.21Å
456Y35.9Very low40.1Very low205 Ų205101 Ų10180%0.80457%0.57SS**  trans-73.566.1168.1-66.5-82.9000109.5A454 F458A454-Y456 HydrophobicContact CB-CE2 4.11Å; A454-Y456 VanDerWaalsContact O-CD2 3.23Å; A454-Y456 WeakPolarHBondContact O-CD2 3.19Å; A454-Y456 PolarHBondContact O-N 3.49Å; Y456-F458 PolarHBondContact O-N 2.86Å
457N36.1Very low41.4Very low94 Ų9496.2 Ų96.250%0.50357%0.57SS.*  trans-73.2126.6170.3-68.1-12.5000108D455 T459 K586D455-N457 PolarHBondContact O-N 3.1Å; N457-T459 PolarHBondContact O-N 3.44Å; N457-K586 PolarHBondContact OD1-NZ 3.47Å
458F48.8Very low43Very low75 Ų7596.6 Ų96.633%0.32956%0.562SS.*  trans-6695.2174.6175.8-119.8000109.4I111 Y456 L460I111-F458 HydrophobicContact CB-CE1 4.35Å; I111-F458 HydrophobicContact CG2-CE1 4.39Å; Y456-F458 PolarHBondContact O-N 2.86Å; F458-L460 HydrophobicContact CD1-CD1 4.24Å; F458-L460 HydrophobicContact CD1-CG 4.3Å; F458-L460 HydrophobicContact CE1-CD1 3.5Å; F458-L460 HydrophobicContact CE1-CD2 4.11Å; F458-L460 HydrophobicContact CE1-CG 3.65Å; F458-L460 HydrophobicContact CE2-CD2 4.46Å; F458-L460 HydrophobicContact CE2-CG 4.49Å; F458-L460 HydrophobicContact CZ-CD1 4.01Å; F458-L460 HydrophobicContact CZ-CD2 3.72Å; F458-L460 HydrophobicContact CZ-CG 3.74Å
459T46.5Very low44.8Very low94 Ų9492 Ų9258%0.57753%0.534SS*.  trans-93.499-17847.70000110.9N457 L462N457-T459 PolarHBondContact O-N 3.44Å; T459-L462 HydrophobicContact CG2-CD1 4.12Å
460L55.9Low47Very low21 Ų2187.7 Ų87.711%0.1151%0.509CS..  trans-77.1153.2167.2-72.3157.9000110.7N91 L94 I111 F458 L462N91-L460 HydrophobicContact CB-CD2 4.09Å; L94-L460 HydrophobicContact CD2-CB 4.04Å; L94-L460 WeakPolarHBondContact CD2-O 3.2Å; I111-L460 HydrophobicContact CD1-CD1 3.36Å; I111-L460 HydrophobicContact CD1-CD2 4.39Å; I111-L460 HydrophobicContact CG1-CD1 4.36Å; F458-L460 HydrophobicContact CD1-CD1 4.24Å; F458-L460 HydrophobicContact CD1-CG 4.3Å; F458-L460 HydrophobicContact CE1-CD1 3.5Å; F458-L460 HydrophobicContact CE1-CD2 4.11Å; F458-L460 HydrophobicContact CE1-CG 3.65Å; F458-L460 HydrophobicContact CE2-CD2 4.46Å; F458-L460 HydrophobicContact CE2-CG 4.49Å; F458-L460 HydrophobicContact CZ-CD1 4.01Å; F458-L460 HydrophobicContact CZ-CD2 3.72Å; F458-L460 HydrophobicContact CZ-CG 3.74Å; L460-L462 PolarHBondContact O-N 2.86Å
461G54.8Low49.4Very low14 Ų1487.4 Ų87.414%0.14450%0.499CS..SBendtrans83.71.3167.300000116.6N91N91-G461 PolarHBondContact OD1-N 2.95Å
462L52.7Low51.7Low129 Ų12984.1 Ų84.168%0.67547%0.465SS*.SBendtrans-83.5-22.8178.1-67175.6000113.5T459 L460T459-L462 HydrophobicContact CG2-CD1 4.12Å; L460-L462 PolarHBondContact O-N 2.86Å
463K53.2Low54.2Low129 Ų12976 Ų7656%0.56142%0.422SS*.SBendtrans-145.5141.2177.6-166.7176179.8179.10109.2N91 V465N91-K463 PolarHBondContact ND2-O 3.37Å; N91-K463 VanDerWaalsContact ND2-O 3.08Å; K463-V465 PolarHBondContact O-N 2.83Å
464P56.3Low56.9Low34 Ų3474.5 Ų74.522%0.22142%0.415CS..  trans-57.1140.7170.823.1-33000110E92 S466E92-P464 WeakPolarHBondContact OE1-CA 3.2Å; P464-S466 PolarHBondContact O-N 3.3Å
465V56.8Low59.5Low34 Ų3474.9 Ų74.921%0.20640%0.402CS..SBendtrans-62.2-31.7-175.9-176.70000110.8N91 E92 K463N91-V465 HydrophobicContact CB-CG2 3.64Å; N91-V465 VanDerWaalsContact CG-CG2 3.5Å; N91-V465 WeakPolarHBondContact ND2-CG2 3.21Å; E92-V465 PolarHBondContact OE1-N 2.88Å; K463-V465 PolarHBondContact O-N 2.83Å
466S57.6Low62Low15 Ų1570.3 Ų70.311%0.10538%0.378CS..SBendtrans-107139.3179.6-71.30000111.1P464 L468 G469 G472 A473 Q476P464-S466 PolarHBondContact O-N 3.3Å; S466-L468 PolarHBondContact O-N 3.44Å; S466-L468 VanDerWaalsContact O-N 3.08Å; S466-G469 PolarHBondContact O-N 2.94Å; S466-G472 VanDerWaalsContact OG-C 3.26Å; S466-G472 PolarHBondContact OG-O 3.26Å; S466-A473 PolarHBondContact OG-N 2.8Å; S466-Q476 PolarHBondContact OG-OE1 3.49Å
467S58.7Low64.4Low130 Ų13061.6 Ų61.691%0.90935%0.346SS*.THydrogen-bonded Turntrans-56.9-24173.956.50000113.3G469S467-G469 VanDerWaalsContact C-N 3.28Å; S467-G469 PolarHBondContact O-N 3.43Å
468L60.5Low66.8Low124 Ų12459.3 Ų59.365%0.64934%0.337SS*.THydrogen-bonded Turntrans-83.79176.2-68.9166.6000114S466S466-L468 PolarHBondContact O-N 3.44Å; S466-L468 VanDerWaalsContact O-N 3.08Å
469G70.2Confident68.6Low20 Ų2055.8 Ų55.821%0.20632%0.321CS..Hα-helixtrans67.4-151.8-177.300000113.1S466 S467 I471 G472 A473S466-G469 PolarHBondContact O-N 2.94Å; S467-G469 VanDerWaalsContact C-N 3.28Å; S467-G469 PolarHBondContact O-N 3.43Å; G469-I471 VanDerWaalsContact C-N 3.26Å; G469-I471 PolarHBondContact O-N 3.42Å; G469-G472 PolarHBondContact O-N 3.44Å; G469-A473 PolarHBondContact O-N 2.76Å
470H76.3Confident70.5Confident82 Ų8251.3 Ų51.338%0.3829%0.294SS..Hα-helixtrans-54.2-37.7-176.7-60.1-45.7000114.3E92 F95 I96 G472 A473 A474E92-H470 IonicContact OE2-CE1 3.8Å; E92-H470 PolarHBondContact OE2-CE1 2.94Å; E92-H470 IonicContact OE2-CG 3.18Å; E92-H470 IonicContact OE2-ND1 3.61Å; E92-H470 PolarHBondContact OE2-ND1 2.89Å; F95-H470 AromaticContact CD1-CE1 3.47Å; F95-H470 VanDerWaalsContact CD1-CE1 3.47Å; F95-H470 WeakPolarHBondContact CD1-CE1 3.23Å; F95-H470 AromaticContact CD1-NE2 3.87Å; I96-H470 WeakPolarHBondContact CG1-CE1 3.46Å; H470-G472 VanDerWaalsContact C-N 3.33Å; H470-A473 PolarHBondContact O-N 2.73Å; H470-A474 PolarHBondContact O-N 3.47Å
471I79Confident72Confident119 Ų11954.7 Ų54.761%0.6131%0.312SS*.Hα-helixtrans-65.4-41.4179.2-63.3172.9000110G469 A474 F475G469-I471 VanDerWaalsContact C-N 3.26Å; G469-I471 PolarHBondContact O-N 3.42Å; I471-A474 PolarHBondContact O-N 2.96Å; I471-F475 HydrophobicContact CG2-CD2 3.75Å; I471-F475 HydrophobicContact CG2-CE2 3.41Å; I471-F475 VanDerWaalsContact CG2-CE2 3.41Å; I471-F475 HydrophobicContact CG2-CZ 4.45Å; I471-F475 WeakPolarHBondContact O-CD2 3.43Å; I471-F475 PolarHBondContact O-N 3.5Å
472G76.4Confident73.6Confident1 Ų154.7 Ų54.71%0.0131%0.308CS..Hα-helixtrans-61.5-43.5175.400000112.5S466 G469 H470 A474 F475 Q476S466-G472 VanDerWaalsContact OG-C 3.26Å; S466-G472 PolarHBondContact OG-O 3.26Å; G469-G472 PolarHBondContact O-N 3.44Å; H470-G472 VanDerWaalsContact C-N 3.33Å; G472-A474 PolarHBondContact O-N 2.92Å; G472-F475 PolarHBondContact O-N 3.35Å; G472-Q476 WeakPolarHBondContact O-CB 3.48Å; G472-Q476 PolarHBondContact O-N 2.93Å
473A76.9Confident75.2Confident3 Ų348.6 Ų48.63%0.02528%0.276CS..Hα-helixtrans-64.8-38.717700000112.3I88 E92 S466 G469 H470 Q476 V477I88-A473 HydrophobicContact CG2-CB 3.94Å; E92-A473 VanDerWaalsContact CD-CB 3.49Å; E92-A473 HydrophobicContact CG-CB 3.38Å; S466-A473 PolarHBondContact OG-N 2.8Å; G469-A473 PolarHBondContact O-N 2.76Å; H470-A473 PolarHBondContact O-N 2.73Å; A473-Q476 WeakPolarHBondContact O-CB 3.06Å; A473-Q476 PolarHBondContact O-N 3.44Å; A473-V477 WeakPolarHBondContact O-CG2 3.45Å; A473-V477 PolarHBondContact O-N 3.3Å
474A84Confident76.9Confident61 Ų6143.4 Ų43.450%0.50426%0.255SS..Hα-helixtrans-62.6-43.1173.900000112H470 I471 G472 Q476 V477 C478H470-A474 PolarHBondContact O-N 3.47Å; I471-A474 PolarHBondContact O-N 2.96Å; G472-A474 PolarHBondContact O-N 2.92Å; A474-Q476 VanDerWaalsContact C-N 3.34Å; A474-V477 PolarHBondContact O-N 3.46Å; A474-C478 WeakPolarHBondContact O-CB 3.28Å; A474-C478 PolarHBondContact O-N 3.37Å
475F84Confident78.4Confident87 Ų8745.8 Ų45.838%0.38227%0.269SS..Hα-helixtrans-62.3-41.7173-77.5-58.4000111.8L408 I471 G472 C478 L479L408-F475 HydrophobicContact CD1-CD1 3.82Å; L408-F475 HydrophobicContact CD1-CE1 3.94Å; I471-F475 HydrophobicContact CG2-CD2 3.75Å; I471-F475 HydrophobicContact CG2-CE2 3.41Å; I471-F475 VanDerWaalsContact CG2-CE2 3.41Å; I471-F475 HydrophobicContact CG2-CZ 4.45Å; I471-F475 WeakPolarHBondContact O-CD2 3.43Å; I471-F475 PolarHBondContact O-N 3.5Å; G472-F475 PolarHBondContact O-N 3.35Å; F475-C478 WeakPolarHBondContact O-CB 3.22Å; F475-C478 PolarHBondContact O-N 3.3Å; F475-L479 WeakPolarHBondContact O-CB 3.4Å; F475-L479 VanDerWaalsContact O-CG 3.28Å; F475-L479 WeakPolarHBondContact O-CG 3.25Å; F475-L479 PolarHBondContact O-N 3.43Å
476Q81.6Confident79.9Confident5 Ų544.3 Ų44.32%0.02326%0.259CS..Hα-helixtrans-60.7-46.3177.8-167.5-176.13.200111.6I88 S466 G472 A473 A474 C478 L479 V480 L535 T536I88-Q476 HydrophobicContact CD1-CG 3.86Å; S466-Q476 PolarHBondContact OG-OE1 3.49Å; G472-Q476 WeakPolarHBondContact O-CB 3.48Å; G472-Q476 PolarHBondContact O-N 2.93Å; A473-Q476 WeakPolarHBondContact O-CB 3.06Å; A473-Q476 PolarHBondContact O-N 3.44Å; A474-Q476 VanDerWaalsContact C-N 3.34Å; Q476-C478 VanDerWaalsContact C-N 3.34Å; Q476-C478 PolarHBondContact O-N 3.02Å; Q476-L479 PolarHBondContact O-N 2.93Å; Q476-V480 WeakPolarHBondContact O-CG2 3.48Å; Q476-V480 PolarHBondContact O-N 3.32Å; Q476-L535 WeakPolarHBondContact CG-O 3.43Å; Q476-L535 PolarHBondContact NE2-O 3.05Å; Q476-T536 VanDerWaalsContact NE2-CG2 3.34Å
477V85.7Confident81.3Confident22 Ų2243.6 Ų43.613%0.13325%0.254CS..Hα-helixtrans-60.5-44.8174.2171.40000111P85 I88 I89 A473 A474 L479 V480 L481P85-V477 HydrophobicContact CB-CG1 3.99Å; I88-V477 HydrophobicContact CB-CG2 3.86Å; I88-V477 HydrophobicContact CD1-CG2 4.19Å; I88-V477 HydrophobicContact CG2-CG2 3.64Å; I89-V477 HydrophobicContact CG1-CG2 4.14Å; A473-V477 WeakPolarHBondContact O-CG2 3.45Å; A473-V477 PolarHBondContact O-N 3.3Å; A474-V477 PolarHBondContact O-N 3.46Å; V477-L479 VanDerWaalsContact C-N 3.33Å; V477-L479 PolarHBondContact O-N 3.44Å; V477-V480 PolarHBondContact O-N 2.9Å; V477-L481 HydrophobicContact CG1-CD1 3.93Å; V477-L481 HydrophobicContact CG1-CG 4.47Å; V477-L481 WeakPolarHBondContact O-CB 3.05Å; V477-L481 WeakPolarHBondContact O-CG 3.49Å; V477-L481 PolarHBondContact O-N 3.34Å
478C87.6Confident82.7Confident47 Ų4739.5 Ų39.532%0.31822%0.222SC..Hα-helixtrans-61.9-40.9178-165.40000111.8L405 A474 F475 Q476 L481 F482L405-C478 HydrophobicContact CD2-CB 4.23Å; L405-C478 WeakPolarHBondContact CD2-SG 3.41Å; A474-C478 WeakPolarHBondContact O-CB 3.28Å; A474-C478 PolarHBondContact O-N 3.37Å; F475-C478 WeakPolarHBondContact O-CB 3.22Å; F475-C478 PolarHBondContact O-N 3.3Å; Q476-C478 VanDerWaalsContact C-N 3.34Å; Q476-C478 PolarHBondContact O-N 3.02Å; C478-L481 PolarHBondContact O-N 3.5Å; C478-F482 WeakPolarHBondContact O-CB 3.43Å; C478-F482 PolarHBondContact O-N 2.98Å
479L86.2Confident84Confident0 Ų038.4 Ų38.40%021%0.21CC..Hα-helixtrans-66.2-40.9176.2-72.9177.9000112.6L405 L408 L409 F412 F475 Q476 V477 F482 L483 L535L405-L479 HydrophobicContact CD2-CD2 4.42Å; L405-L479 VanDerWaalsContact O-CD2 3.24Å; L405-L479 WeakPolarHBondContact O-CD2 3.35Å; L408-L479 HydrophobicContact CB-CD1 4.46Å; L408-L479 HydrophobicContact CB-CD2 4.14Å; L409-L479 HydrophobicContact CB-CD2 4Å; F412-L479 HydrophobicContact CD2-CD1 3.51Å; F412-L479 HydrophobicContact CE2-CD1 3.65Å; F412-L479 HydrophobicContact CG-CD1 4.36Å; F475-L479 WeakPolarHBondContact O-CB 3.4Å; F475-L479 VanDerWaalsContact O-CG 3.28Å; F475-L479 WeakPolarHBondContact O-CG 3.25Å; F475-L479 PolarHBondContact O-N 3.43Å; Q476-L479 PolarHBondContact O-N 2.93Å; V477-L479 VanDerWaalsContact C-N 3.33Å; V477-L479 PolarHBondContact O-N 3.44Å; L479-F482 HydrophobicContact CD2-CD1 4.49Å; L479-F482 WeakPolarHBondContact O-CB 3.08Å; L479-F482 PolarHBondContact O-N 3.21Å; L479-L483 WeakPolarHBondContact O-CG 3.21Å; L479-L483 PolarHBondContact O-N 3.49Å; L479-L535 HydrophobicContact CB-CD2 4.4Å; L479-L535 HydrophobicContact CD1-CD2 3.85Å
480V85.6Confident84.8Confident1 Ų137.5 Ų37.51%0.00620%0.2CC..Hα-helixtrans-64.7-46.6176174.10000110.6L84 Q476 V477 F482 L483 V484 L526 T530L84-V480 HydrophobicContact CB-CG1 4.12Å; L84-V480 HydrophobicContact CD1-CG1 4.16Å; Q476-V480 WeakPolarHBondContact O-CG2 3.48Å; Q476-V480 PolarHBondContact O-N 3.32Å; V477-V480 PolarHBondContact O-N 2.9Å; V480-F482 VanDerWaalsContact C-N 3.31Å; V480-F482 PolarHBondContact O-N 3.41Å; V480-L483 PolarHBondContact O-N 3.5Å; V480-V484 WeakPolarHBondContact O-CG2 3.26Å; V480-V484 PolarHBondContact O-N 2.89Å; V480-V484 VanDerWaalsContact O-N 3.1Å; V480-L526 HydrophobicContact CG1-CD2 4.17Å; V480-T530 HydrophobicContact CG1-CG2 4.47Å; V480-T530 HydrophobicContact CG2-CG2 4.11Å
481L87.9Confident85.3Confident91 Ų9134.2 Ų34.248%0.47618%0.184SC..Hα-helixtrans-62.2-40.2175.2-71.3171.1000111.7V477 C478 V484 V485V477-L481 HydrophobicContact CG1-CD1 3.93Å; V477-L481 HydrophobicContact CG1-CG 4.47Å; V477-L481 WeakPolarHBondContact O-CB 3.05Å; V477-L481 WeakPolarHBondContact O-CG 3.49Å; V477-L481 PolarHBondContact O-N 3.34Å; C478-L481 PolarHBondContact O-N 3.5Å; L481-V484 WeakPolarHBondContact O-CB 3.48Å; L481-V484 PolarHBondContact O-N 3.28Å; L481-V485 WeakPolarHBondContact O-CG2 3.46Å; L481-V485 PolarHBondContact O-N 3.18Å
482F88.4Confident85.7Confident15 Ų1531.3 Ų31.37%0.06617%0.166CC..Hα-helixtrans-60-45175.7174.4-122.9000111.9L274 L402 L405 F406 L409 C478 L479 V480 V484 V485 L486L274-F482 HydrophobicContact CD1-CZ 4.22Å; L402-F482 HydrophobicContact CD1-CD2 4.34Å; L402-F482 HydrophobicContact CD1-CE2 3.39Å; L402-F482 HydrophobicContact CD1-CZ 4.07Å; L402-F482 HydrophobicContact CG-CE2 4.29Å; L405-F482 HydrophobicContact CB-CD1 3.99Å; L405-F482 HydrophobicContact CB-CD2 4.46Å; L405-F482 HydrophobicContact CB-CE1 4.11Å; L405-F482 HydrophobicContact CB-CG 4.15Å; L405-F482 HydrophobicContact CB-CZ 4.41Å; L405-F482 HydrophobicContact CD1-CB 4.37Å; L405-F482 HydrophobicContact CD1-CD2 4.29Å; L405-F482 HydrophobicContact CD1-CG 4.29Å; F406-F482 HydrophobicContact CB-CE1 4.19Å; F406-F482 HydrophobicContact CB-CZ 4.15Å; L409-F482 HydrophobicContact CD2-CE1 4.33Å; C478-F482 WeakPolarHBondContact O-CB 3.43Å; C478-F482 PolarHBondContact O-N 2.98Å; L479-F482 HydrophobicContact CD2-CD1 4.49Å; L479-F482 WeakPolarHBondContact O-CB 3.08Å; L479-F482 PolarHBondContact O-N 3.21Å; V480-F482 VanDerWaalsContact C-N 3.31Å; V480-F482 PolarHBondContact O-N 3.41Å; F482-V484 VanDerWaalsContact C-N 3.32Å; F482-V484 PolarHBondContact O-N 3.01Å; F482-V485 PolarHBondContact O-N 2.94Å; F482-L486 HydrophobicContact CD1-CD1 4.14Å; F482-L486 HydrophobicContact CD2-CD1 4.41Å; F482-L486 HydrophobicContact CD2-CD2 4.39Å; F482-L486 HydrophobicContact CD2-CG 3.98Å; F482-L486 HydrophobicContact CE1-CD1 3.54Å; F482-L486 HydrophobicContact CE1-CG 4.16Å; F482-L486 HydrophobicContact CE2-CD1 3.79Å; F482-L486 HydrophobicContact CE2-CD2 3.55Å; F482-L486 HydrophobicContact CE2-CG 3.49Å; F482-L486 VanDerWaalsContact CE2-CG 3.49Å; F482-L486 HydrophobicContact CG-CG 4.47Å; F482-L486 HydrophobicContact CZ-CD1 3.36Å; F482-L486 HydrophobicContact CZ-CD2 3.81Å; F482-L486 HydrophobicContact CZ-CG 3.65Å; F482-L486 WeakPolarHBondContact O-CB 3.26Å; F482-L486 WeakPolarHBondContact O-CG 3.32Å; F482-L486 PolarHBondContact O-N 3.35Å
483L87.3Confident86Confident0 Ų032.6 Ų32.60%018%0.175CC..Hα-helixtrans-61-38.5174.6-79.1176000112.8T270 L409 L479 V480 S487 T530 L533 L535T270-L483 HydrophobicContact CG2-CD2 4.2Å; L409-L483 HydrophobicContact CD1-CD1 4.28Å; L409-L483 HydrophobicContact CD1-CD2 4.38Å; L409-L483 HydrophobicContact CD1-CG 4.42Å; L409-L483 HydrophobicContact CD2-CD2 3.69Å; L409-L483 HydrophobicContact CD2-CG 4.37Å; L479-L483 WeakPolarHBondContact O-CG 3.21Å; L479-L483 PolarHBondContact O-N 3.49Å; V480-L483 PolarHBondContact O-N 3.5Å; L483-S487 VanDerWaalsContact O-CB 3.3Å; L483-S487 WeakPolarHBondContact O-CB 3.47Å; L483-S487 PolarHBondContact O-N 3.28Å; L483-S487 PolarHBondContact O-OG 3.19Å; L483-T530 HydrophobicContact CD1-CG2 4.48Å; L483-L533 HydrophobicContact CD1-CD1 3.68Å; L483-L533 HydrophobicContact CD2-CD1 4.3Å; L483-L535 HydrophobicContact CD1-CD1 3.35Å
484V88.2Confident86.4Confident20 Ų2034 Ų3412%0.12118%0.182CC..Hα-helixtrans-63.2-46174.6174.70000110.8Y81 V480 L481 F482 S487 L488 L526Y81-V484 HydrophobicContact CD1-CG1 4.18Å; Y81-V484 HydrophobicContact CD1-CG2 3.79Å; Y81-V484 HydrophobicContact CE1-CG1 4.25Å; Y81-V484 HydrophobicContact CE1-CG2 4.08Å; V480-V484 WeakPolarHBondContact O-CG2 3.26Å; V480-V484 PolarHBondContact O-N 2.89Å; V480-V484 VanDerWaalsContact O-N 3.1Å; L481-V484 WeakPolarHBondContact O-CB 3.48Å; L481-V484 PolarHBondContact O-N 3.28Å; F482-V484 VanDerWaalsContact C-N 3.32Å; F482-V484 PolarHBondContact O-N 3.01Å; V484-S487 WeakPolarHBondContact CA-OG 3.43Å; V484-S487 PolarHBondContact O-N 2.94Å; V484-S487 PolarHBondContact O-OG 3.31Å; V484-L488 HydrophobicContact CG1-CD1 3.86Å; V484-L488 HydrophobicContact CG1-CG 4.44Å; V484-L488 WeakPolarHBondContact O-CB 3.49Å; V484-L488 VanDerWaalsContact O-CG 3.3Å; V484-L488 WeakPolarHBondContact O-CG 3.15Å; V484-L488 PolarHBondContact O-N 2.92Å; V484-L526 HydrophobicContact CG2-CD1 3.99Å; V484-L526 HydrophobicContact CG2-CD2 3.65Å; V484-L526 HydrophobicContact CG2-CG 4.49Å
485V87.9Confident86.1Confident84 Ų8435.6 Ų35.651%0.50919%0.187SC..Hα-helixtrans-65.5-45.4178.7174.90000111.5L481 F482 S487 W489L481-V485 WeakPolarHBondContact O-CG2 3.46Å; L481-V485 PolarHBondContact O-N 3.18Å; F482-V485 PolarHBondContact O-N 2.94Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 3.21Å; V485-W489 VanDerWaalsContact O-CB 3.29Å; V485-W489 WeakPolarHBondContact O-CB 3.28Å; V485-W489 PolarHBondContact O-N 3.06Å
486L87.4Confident85.9Confident3 Ų336.5 Ų36.52%0.01620%0.203CC..Hα-helixtrans-58.9-45.6176.7-75.4-171.3000111.7L274 I277 F482 G490L274-L486 HydrophobicContact CB-CD2 4.24Å; L274-L486 HydrophobicContact CD1-CD1 4.4Å; L274-L486 HydrophobicContact CD1-CD2 4.12Å; I277-L486 HydrophobicContact CD1-CD2 3.64Å; F482-L486 HydrophobicContact CD1-CD1 4.14Å; F482-L486 HydrophobicContact CD2-CD1 4.41Å; F482-L486 HydrophobicContact CD2-CD2 4.39Å; F482-L486 HydrophobicContact CD2-CG 3.98Å; F482-L486 HydrophobicContact CE1-CD1 3.54Å; F482-L486 HydrophobicContact CE1-CG 4.16Å; F482-L486 HydrophobicContact CE2-CD1 3.79Å; F482-L486 HydrophobicContact CE2-CD2 3.55Å; F482-L486 HydrophobicContact CE2-CG 3.49Å; F482-L486 VanDerWaalsContact CE2-CG 3.49Å; F482-L486 HydrophobicContact CG-CG 4.47Å; F482-L486 HydrophobicContact CZ-CD1 3.36Å; F482-L486 HydrophobicContact CZ-CD2 3.81Å; F482-L486 HydrophobicContact CZ-CG 3.65Å; F482-L486 WeakPolarHBondContact O-CB 3.26Å; F482-L486 WeakPolarHBondContact O-CG 3.32Å; F482-L486 PolarHBondContact O-N 3.35Å; L486-G490 WeakPolarHBondContact O-CA 3.36Å; L486-G490 PolarHBondContact O-N 3.02Å
487S88.5Confident85.8Confident0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-67.7-44.4-178.153.70000112.5C269 L483 V484 V485 G490 F491C269-S487 WeakPolarHBondContact CB-O 3.32Å; L483-S487 VanDerWaalsContact O-CB 3.3Å; L483-S487 WeakPolarHBondContact O-CB 3.47Å; L483-S487 PolarHBondContact O-N 3.28Å; L483-S487 PolarHBondContact O-OG 3.19Å; V484-S487 WeakPolarHBondContact CA-OG 3.43Å; V484-S487 PolarHBondContact O-N 2.94Å; V484-S487 PolarHBondContact O-OG 3.31Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 3.21Å; S487-G490 PolarHBondContact O-N 3.27Å; S487-F491 VanDerWaalsContact O-CB 3.32Å; S487-F491 WeakPolarHBondContact O-CB 3.4Å; S487-F491 PolarHBondContact O-N 2.75Å
488L88.3Confident85.5Confident44 Ų4443.3 Ų43.323%0.2323%0.227CC..Hα-helixtrans-64.4-43.9176.7-68.7174.1000111.5V484 F491 Y492 F519V484-L488 HydrophobicContact CG1-CD1 3.86Å; V484-L488 HydrophobicContact CG1-CG 4.44Å; V484-L488 WeakPolarHBondContact O-CB 3.49Å; V484-L488 VanDerWaalsContact O-CG 3.3Å; V484-L488 WeakPolarHBondContact O-CG 3.15Å; V484-L488 PolarHBondContact O-N 2.92Å; L488-F491 PolarHBondContact O-N 2.84Å; L488-Y492 WeakPolarHBondContact O-CD2 3.24Å; L488-Y492 PolarHBondContact O-N 3.25Å; L488-F519 HydrophobicContact CD1-CE2 4.14Å; L488-F519 HydrophobicContact CD2-CD2 3.77Å; L488-F519 HydrophobicContact CD2-CE2 3.98Å
489W87.4Confident85.2Confident102 Ų10249.4 Ų49.439%0.38625%0.249SC..Hα-helixtrans-65.3-44.5177.1-169.8-75.3000112S276 I277 N280 V485 F491 Y492 S493S276-W489 PolarHBondContact OG-NE1 2.87Å; I277-W489 HydrophobicContact CD1-CB 3.77Å; I277-W489 HydrophobicContact CD1-CD2 4.19Å; I277-W489 HydrophobicContact CD1-CG 3.71Å; I277-W489 HydrophobicContact CG1-CB 4.05Å; I277-W489 HydrophobicContact CG1-CD2 3.61Å; I277-W489 HydrophobicContact CG1-CE3 4.39Å; I277-W489 HydrophobicContact CG1-CG 3.4Å; I277-W489 VanDerWaalsContact CG1-CG 3.4Å; N280-W489 HydrophobicContact CB-CZ2 4.41Å; N280-W489 WeakPolarHBondContact ND2-CZ2 3.25Å; V485-W489 VanDerWaalsContact O-CB 3.29Å; V485-W489 WeakPolarHBondContact O-CB 3.28Å; V485-W489 PolarHBondContact O-N 3.06Å; W489-F491 VanDerWaalsContact C-N 3.3Å; W489-F491 PolarHBondContact O-N 3.28Å; W489-Y492 PolarHBondContact O-N 2.89Å; W489-S493 WeakPolarHBondContact O-CB 3.42Å; W489-S493 PolarHBondContact O-N 3.2Å
490G85.5Confident85.1Confident0 Ų051.6 Ų51.60%026%0.26CS..Hα-helixtrans-60-41.6177.200000112.4C269 L486 S487 S493 L494C269-G490 WeakPolarHBondContact O-CA 3.42Å; L486-G490 WeakPolarHBondContact O-CA 3.36Å; L486-G490 PolarHBondContact O-N 3.02Å; S487-G490 PolarHBondContact O-N 3.27Å; G490-S493 WeakPolarHBondContact O-CB 3.14Å; G490-S493 PolarHBondContact O-N 2.87Å; G490-S493 VanDerWaalsContact O-N 3.12Å; G490-L494 PolarHBondContact O-N 2.69Å
491F87.6Confident85Confident13 Ų1359.1 Ų59.16%0.05729%0.288CS..Hα-helixtrans-55.8-54.7175.4-177.6-100000111.1C269 S487 L488 W489 S493 L494 A497 L518 L522C269-F491 VanDerWaalsContact SG-CA 3.52Å; S487-F491 VanDerWaalsContact O-CB 3.32Å; S487-F491 WeakPolarHBondContact O-CB 3.4Å; S487-F491 PolarHBondContact O-N 2.75Å; L488-F491 PolarHBondContact O-N 2.84Å; W489-F491 VanDerWaalsContact C-N 3.3Å; W489-F491 PolarHBondContact O-N 3.28Å; F491-S493 PolarHBondContact O-N 2.89Å; F491-L494 WeakPolarHBondContact O-CB 3.45Å; F491-L494 PolarHBondContact O-N 3.45Å; F491-A497 HydrophobicContact CD1-CB 4.27Å; F491-A497 HydrophobicContact CE1-CB 3.89Å; F491-A497 HydrophobicContact CE2-CB 4.23Å; F491-A497 HydrophobicContact CZ-CB 3.83Å; F491-A497 WeakPolarHBondContact O-CB 3.4Å; F491-L518 HydrophobicContact CE1-CB 4.41Å; F491-L518 HydrophobicContact CE1-CD1 3.81Å; F491-L518 HydrophobicContact CE2-CD1 4.4Å; F491-L518 HydrophobicContact CE2-CD2 3.94Å; F491-L518 HydrophobicContact CZ-CB 4.17Å; F491-L518 HydrophobicContact CZ-CD1 3.37Å; F491-L518 HydrophobicContact CZ-CD2 3.72Å; F491-L518 HydrophobicContact CZ-CG 3.94Å; F491-L522 HydrophobicContact CD2-CD1 4.44Å
492Y86.9Confident84.6Confident59 Ų5956 Ų5623%0.23127%0.274CS..Hα-helixtrans-69.9-12.8179.5-66.7-64000114.7L488 W489 R501 P502L488-Y492 WeakPolarHBondContact O-CD2 3.24Å; L488-Y492 PolarHBondContact O-N 3.25Å; W489-Y492 PolarHBondContact O-N 2.89Å; Y492-R501 HydrophobicContact CD1-CB 4.19Å; Y492-R501 HydrophobicContact CD1-CG 4.37Å; Y492-P502 HydrophobicContact CE1-CG 4.39Å
493S84.3Confident84.3Confident27 Ų2764 Ų6419%0.18930%0.303CS..Hα-helixtrans-84-19.5175.3-169.20000113.3S276 W489 G490 F491S276-S493 VanDerWaalsContact CB-OG 3.24Å; S276-S493 WeakPolarHBondContact CB-OG 3.09Å; S276-S493 WeakPolarHBondContact OG-CB 3.39Å; S276-S493 PolarHBondContact OG-OG 3.47Å; W489-S493 WeakPolarHBondContact O-CB 3.42Å; W489-S493 PolarHBondContact O-N 3.2Å; G490-S493 WeakPolarHBondContact O-CB 3.14Å; G490-S493 PolarHBondContact O-N 2.87Å; G490-S493 VanDerWaalsContact O-N 3.12Å; F491-S493 PolarHBondContact O-N 2.89Å
494L84.8Confident83.8Confident34 Ų3469.4 Ų69.418%0.17833%0.325CS..SBendtrans-65.4140.7178.5-71.2171.6000111.2I268 V272 G490 F491 C496 A497 R498I268-L494 HydrophobicContact CG2-CD1 4.28Å; I268-L494 HydrophobicContact CG2-CD2 4Å; V272-L494 HydrophobicContact CB-CD2 4.49Å; V272-L494 HydrophobicContact CG1-CD2 4.09Å; V272-L494 HydrophobicContact CG2-CD2 4.19Å; G490-L494 PolarHBondContact O-N 2.69Å; F491-L494 WeakPolarHBondContact O-CB 3.45Å; F491-L494 PolarHBondContact O-N 3.45Å; L494-C496 VanDerWaalsContact C-N 3.28Å; L494-C496 PolarHBondContact O-N 3.5Å; L494-A497 HydrophobicContact CB-CB 4.23Å; L494-A497 PolarHBondContact O-N 3.18Å; L494-A497 VanDerWaalsContact O-N 3.07Å; L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.11Å
495P77.8Confident83.3Confident94 Ų9474.8 Ų74.861%0.6134%0.343SS*.THydrogen-bonded Turntrans-58.5-38-174.523-33.6000113.1
496C78.5Confident82.9Confident106 Ų10673.7 Ų73.772%0.71634%0.343SS*.THydrogen-bonded Turntrans-69.7-37.5178-170.20000112.4L494L494-C496 VanDerWaalsContact C-N 3.28Å; L494-C496 PolarHBondContact O-N 3.5Å
497A80.1Confident82.6Confident5 Ų573.9 Ų73.94%0.04134%0.344CS..G310 helixtrans-84.2-9.9-177.800000113.7F491 L494 F499 L500 R501F491-A497 HydrophobicContact CD1-CB 4.27Å; F491-A497 HydrophobicContact CE1-CB 3.89Å; F491-A497 HydrophobicContact CE2-CB 4.23Å; F491-A497 HydrophobicContact CZ-CB 3.83Å; F491-A497 WeakPolarHBondContact O-CB 3.4Å; L494-A497 HydrophobicContact CB-CB 4.23Å; L494-A497 PolarHBondContact O-N 3.18Å; L494-A497 VanDerWaalsContact O-N 3.07Å; A497-F499 PolarHBondContact O-N 2.98Å; A497-L500 WeakPolarHBondContact O-CA 3.16Å; A497-L500 WeakPolarHBondContact O-CB 3.47Å; A497-L500 PolarHBondContact O-N 3.03Å; A497-R501 PolarHBondContact O-N 3.06Å
498R79.1Confident82.5Confident164 Ų16475.4 Ų75.462%0.61936%0.355SS*.G310 helixtrans-56.9-33.4174.1-78178.7-173-171.8-0.7112.5L494 L500 R501L494-R498 WeakPolarHBondContact O-CG 3.47Å; L494-R498 PolarHBondContact O-N 3.11Å; R498-L500 VanDerWaalsContact C-N 3.28Å; R498-L500 PolarHBondContact O-N 3.44Å; R498-R501 WeakPolarHBondContact O-CB 3.15Å; R498-R501 PolarHBondContact O-N 2.64Å
499F82.6Confident82.4Confident176 Ų17673.7 Ų73.777%0.77235%0.346SS*.G310 helixtrans-69.7-26.3176.2-61.5-74.3000112.9A497A497-F499 PolarHBondContact O-N 2.98Å
500L83.2Confident82.3Confident45 Ų4572.5 Ų72.524%0.23635%0.347CS..G310 helixtrans-88.4-6179-65171000112.6A497 R498 P502 I511 A514 N515 L518A497-L500 WeakPolarHBondContact O-CA 3.16Å; A497-L500 WeakPolarHBondContact O-CB 3.47Å; A497-L500 PolarHBondContact O-N 3.03Å; R498-L500 VanDerWaalsContact C-N 3.28Å; R498-L500 PolarHBondContact O-N 3.44Å; L500-P502 WeakPolarHBondContact O-CD 3.32Å; L500-P502 VanDerWaalsContact O-N 3.13Å; L500-I511 HydrophobicContact CD2-CG2 4.26Å; L500-A514 HydrophobicContact CD2-CB 4.02Å; L500-N515 PolarHBondContact O-ND2 3.39Å; L500-N515 PolarHBondContact O-OD1 3.46Å; L500-N515 VanDerWaalsContact O-OD1 3.06Å; L500-L518 HydrophobicContact CD1-CD1 3.59Å
501R82.8Confident82.4Confident159 Ų15975.3 Ų75.360%0.636%0.361SS*.  trans-58.2119-176.6-175.3176.1179.2178.51.2110.9Y492 A497 R498 R503Y492-R501 HydrophobicContact CD1-CB 4.19Å; Y492-R501 HydrophobicContact CD1-CG 4.37Å; A497-R501 PolarHBondContact O-N 3.06Å; R498-R501 WeakPolarHBondContact O-CB 3.15Å; R498-R501 PolarHBondContact O-N 2.64Å; R501-R503 PolarHBondContact O-N 3.09Å
502P81Confident82.5Confident27 Ų2775 Ų7518%0.17536%0.36CS..  trans-64.5128.2179.927.4-34.4000109.2F45 Y492 L500F45-P502 HydrophobicContact CB-CB 4.28Å; F45-P502 HydrophobicContact CD1-CB 3.68Å; F45-P502 HydrophobicContact CD1-CG 4.31Å; F45-P502 HydrophobicContact CD2-CB 4.43Å; F45-P502 HydrophobicContact CE1-CB 4.06Å; F45-P502 HydrophobicContact CE1-CG 4.19Å; F45-P502 HydrophobicContact CG-CB 3.89Å; F45-P502 HydrophobicContact CZ-CG 4.42Å; Y492-P502 HydrophobicContact CE1-CG 4.39Å; L500-P502 WeakPolarHBondContact O-CD 3.32Å; L500-P502 VanDerWaalsContact O-N 3.13Å
503R80.5Confident82.6Confident181 Ų18172.7 Ų72.768%0.68335%0.352SS*.  trans-104.1140.8176.2-69.5-173.4-179.9-176.20.4108.9R501 R505 A506 T507R501-R503 PolarHBondContact O-N 3.09Å; R503-R505 PolarHBondContact O-N 3.48Å; R503-R505 VanDerWaalsContact O-N 3.12Å; R503-A506 HydrophobicContact CB-CB 3.96Å; R503-A506 PolarHBondContact O-N 3Å; R503-T507 PolarHBondContact N-OG1 3.15Å; R503-T507 PolarHBondContact O-OG1 3.21Å
504Y78.2Confident82.9Confident115 Ų11573.1 Ų73.145%0.45136%0.357SS..THydrogen-bonded Turntrans-54.7119.7179.5179.3-108.7000110.6Y44 A506Y44-Y504 AromaticContact CD1-CD2 4Å; Y44-Y504 HydrophobicContact CD1-CD2 4Å; Y44-Y504 HydrophobicContact CD1-CE2 4.37Å; Y44-Y504 HydrophobicContact CD2-CD2 4.18Å; Y44-Y504 AromaticContact CD2-CE2 3.73Å; Y44-Y504 HydrophobicContact CD2-CE2 3.73Å; Y44-Y504 AromaticContact CE1-CD2 3.56Å; Y44-Y504 HydrophobicContact CE1-CD2 3.56Å; Y44-Y504 HydrophobicContact CE1-CE2 4.07Å; Y44-Y504 AromaticContact CE2-CD2 3.77Å; Y44-Y504 HydrophobicContact CE2-CD2 3.77Å; Y44-Y504 AromaticContact CE2-CE2 3.36Å; Y44-Y504 HydrophobicContact CE2-CE2 3.36Å; Y44-Y504 HydrophobicContact CG-CD2 4.27Å; Y44-Y504 HydrophobicContact CG-CE2 4.21Å; Y44-Y504 AromaticContact CZ-CD2 3.42Å; Y44-Y504 VanDerWaalsContact CZ-CD2 3.42Å; Y44-Y504 AromaticContact CZ-CE2 3.54Å; Y44-Y504 WeakPolarHBondContact O-CD2 3.29Å; Y504-A506 PolarHBondContact O-N 3.34Å
505R77.5Confident83.2Confident133 Ų13372.1 Ų72.150%0.50235%0.351SS..THydrogen-bonded Turntrans48.729.2-179.5-62.9-177.3173166.11.6115.5Y44 F45 T47 R503Y44-R505 PolarHBondContact O-N 3.03Å; F45-R505 PolarHBondContact O-N 2.92Å; T47-R505 WeakPolarHBondContact CA-O 3.29Å; T47-R505 WeakPolarHBondContact CG2-O 3.41Å; R503-R505 PolarHBondContact O-N 3.48Å; R503-R505 VanDerWaalsContact O-N 3.12Å
506A78.2Confident83.9Confident61 Ų6168 Ų6850%0.50432%0.324SS..THydrogen-bonded Turntrans-138.812.4-176.900000113.4T47 R503 Y504T47-A506 WeakPolarHBondContact OG1-CA 3.37Å; R503-A506 HydrophobicContact CB-CB 3.96Å; R503-A506 PolarHBondContact O-N 3Å; Y504-A506 PolarHBondContact O-N 3.34Å
507T82.8Confident84.6Confident6 Ų665.9 Ų65.94%0.03731%0.305CS..BIsolated β-bridgetrans-94.1129.2178.2-450000109.6F45 T47 R503 I511F45-T507 WeakPolarHBondContact O-CB 3.34Å; F45-T507 PolarHBondContact O-N 3.09Å; F45-T507 PolarHBondContact O-OG1 3.05Å; T47-T507 PolarHBondContact N-O 2.89Å; T47-T507 VanDerWaalsContact OG1-C 3.28Å; T47-T507 PolarHBondContact OG1-N 2.91Å; T47-T507 PolarHBondContact OG1-O 2.89Å; R503-T507 PolarHBondContact N-OG1 3.15Å; R503-T507 PolarHBondContact O-OG1 3.21Å; T507-I511 HydrophobicContact CG2-CB 3.83Å; T507-I511 HydrophobicContact CG2-CG2 3.68Å
508S85.7Confident85.1Confident33 Ų3367.3 Ų67.323%0.23131%0.312CS..  trans-73.7156.5171.762.90000110.8E50 D510 I511 M512E50-S508 VanDerWaalsContact OE1-CA 3.3Å; E50-S508 WeakPolarHBondContact OE1-CA 3.21Å; E50-S508 VanDerWaalsContact OE1-CB 3.27Å; E50-S508 WeakPolarHBondContact OE1-CB 3.48Å; S508-D510 PolarHBondContact O-N 2.94Å; S508-I511 PolarHBondContact O-N 3.4Å; S508-I511 WeakPolarHBondContact OG-CG1 3.15Å; S508-M512 PolarHBondContact O-N 3.25Å; S508-M512 VanDerWaalsContact O-N 3.09Å
509L85.5Confident85.7Confident8 Ų860.9 Ų60.94%0.04229%0.289CS..Hα-helixtrans-59.8-34.8-178.7-159.6159000112.3E50 V66 L136 M512 L513E50-L509 PolarHBondContact OE2-N 3.4Å; V66-L509 HydrophobicContact CB-CD1 4.4Å; V66-L509 HydrophobicContact CB-CD2 4.17Å; V66-L509 HydrophobicContact CG1-CD1 4.38Å; V66-L509 HydrophobicContact CG1-CD2 3.32Å; V66-L509 HydrophobicContact CG1-CG 4.45Å; L136-L509 HydrophobicContact CD1-CD2 3.39Å; L136-L509 HydrophobicContact CD2-CD1 4.21Å; L136-L509 HydrophobicContact CD2-CD2 3.9Å; L136-L509 HydrophobicContact CD2-CG 4.49Å; L136-L509 HydrophobicContact CG-CD2 4.2Å; L509-M512 HydrophobicContact CG-CE 4.11Å; L509-M512 WeakPolarHBondContact O-CB 3.38Å; L509-M512 PolarHBondContact O-N 3.47Å; L509-L513 PolarHBondContact O-N 3.4Å
510D85.8Confident86.1Confident77 Ų7752.5 Ų52.541%0.41225%0.252SS..Hα-helixtrans-63.3-44178.5-61.4-41.1000112.6L136 S508 M512 L513 A514L136-D510 WeakPolarHBondContact CD1-OD1 3.4Å; S508-D510 PolarHBondContact O-N 2.94Å; D510-M512 VanDerWaalsContact C-N 3.28Å; D510-M512 PolarHBondContact O-N 3.41Å; D510-L513 PolarHBondContact O-N 3.44Å; D510-A514 PolarHBondContact O-N 3.29Å
511I87.9Confident86.4Confident58 Ų5851.3 Ų51.330%0.29725%0.246SC..Hα-helixtrans-67.1-36.2176.9-63.4171000109.9L500 T507 S508 A514 N515L500-I511 HydrophobicContact CD2-CG2 4.26Å; T507-I511 HydrophobicContact CG2-CB 3.83Å; T507-I511 HydrophobicContact CG2-CG2 3.68Å; S508-I511 PolarHBondContact O-N 3.4Å; S508-I511 WeakPolarHBondContact OG-CG1 3.15Å; I511-A514 PolarHBondContact O-N 2.8Å; I511-N515 PolarHBondContact O-N 3.44Å; I511-N515 PolarHBondContact O-ND2 2.85Å
512M88.9Confident86.7Confident8 Ų843.9 Ų43.94%0.03922%0.218CC..Hα-helixtrans-64-43.1175.4-167176.376.200111.6L42 L46 L67 C70 S508 L509 D510 A514 N515 I516L42-M512 HydrophobicContact CB-SD 4.27Å; L42-M512 HydrophobicContact CD2-CE 4.01Å; L42-M512 HydrophobicContact CD2-CG 3.63Å; L42-M512 HydrophobicContact CD2-SD 3.4Å; L42-M512 WeakPolarHBondContact CD2-SD 3.47Å; L42-M512 HydrophobicContact CG-SD 4.41Å; L46-M512 HydrophobicContact CB-SD 4.46Å; L46-M512 HydrophobicContact CD1-CE 4.25Å; L46-M512 HydrophobicContact CD1-SD 4.12Å; L67-M512 HydrophobicContact CD1-CE 3.72Å; C70-M512 HydrophobicContact CB-CE 4.15Å; S508-M512 PolarHBondContact O-N 3.25Å; S508-M512 VanDerWaalsContact O-N 3.09Å; L509-M512 HydrophobicContact CG-CE 4.11Å; L509-M512 WeakPolarHBondContact O-CB 3.38Å; L509-M512 PolarHBondContact O-N 3.47Å; D510-M512 VanDerWaalsContact C-N 3.28Å; D510-M512 PolarHBondContact O-N 3.41Å; M512-A514 VanDerWaalsContact C-N 3.35Å; M512-A514 PolarHBondContact O-N 2.9Å; M512-N515 PolarHBondContact O-N 2.96Å; M512-I516 HydrophobicContact CG-CD1 4.24Å; M512-I516 VanDerWaalsContact O-CG1 3.3Å; M512-I516 WeakPolarHBondContact O-CG1 3.47Å; M512-I516 PolarHBondContact O-N 3.33Å
513L90.4Very high87.1Confident10 Ų1042.6 Ų42.65%0.05221%0.209CC..Hα-helixtrans-60.9-43.2174.9-175.466.9000111.4I129 L509 D510 I516 L517I129-L513 HydrophobicContact CG1-CD1 4.49Å; I129-L513 HydrophobicContact CG2-CD1 4.31Å; I129-L513 HydrophobicContact CG2-CG 4.47Å; L509-L513 PolarHBondContact O-N 3.4Å; D510-L513 PolarHBondContact O-N 3.44Å; L513-I516 PolarHBondContact O-N 2.93Å; L513-L517 PolarHBondContact O-N 2.84Å
514A90.1Very high87.2Confident35 Ų3534.9 Ų34.929%0.28919%0.185SC..Hα-helixtrans-61.3-45.6175.500000112.1L500 D510 I511 M512 I516 L517 L518L500-A514 HydrophobicContact CD2-CB 4.02Å; D510-A514 PolarHBondContact O-N 3.29Å; I511-A514 PolarHBondContact O-N 2.8Å; M512-A514 VanDerWaalsContact C-N 3.35Å; M512-A514 PolarHBondContact O-N 2.9Å; A514-I516 VanDerWaalsContact C-N 3.34Å; A514-I516 PolarHBondContact O-N 3.18Å; A514-L517 PolarHBondContact O-N 3.45Å; A514-L518 WeakPolarHBondContact O-CD1 3.34Å; A514-L518 WeakPolarHBondContact O-CG 3.45Å; A514-L518 PolarHBondContact O-N 3.04Å
515N91.3Very high87.6Confident13 Ų1329.4 Ų29.47%0.0716%0.163CC..Hα-helixtrans-62.2-39.1177.2-79.2-33.4000113L500 I511 M512 L518 F519L500-N515 PolarHBondContact O-ND2 3.39Å; L500-N515 PolarHBondContact O-OD1 3.46Å; L500-N515 VanDerWaalsContact O-OD1 3.06Å; I511-N515 PolarHBondContact O-N 3.44Å; I511-N515 PolarHBondContact O-ND2 2.85Å; M512-N515 PolarHBondContact O-N 2.96Å; N515-L518 PolarHBondContact O-N 2.9Å; N515-F519 VanDerWaalsContact O-CB 3.32Å; N515-F519 WeakPolarHBondContact O-CB 3.46Å; N515-F519 PolarHBondContact O-N 3.32Å
516I92.8Very high87.7Confident8 Ų823.1 Ų23.14%0.04114%0.139CC..Hα-helixtrans-69.7-41.2178.1-68169.5000111.1L42 C70 T73 M512 L513 A514 L518 F519 L520L42-I516 HydrophobicContact CD1-CD1 4.44Å; L42-I516 HydrophobicContact CD2-CD1 3.57Å; L42-I516 HydrophobicContact CD2-CG1 4.31Å; C70-I516 HydrophobicContact CB-CD1 3.39Å; T73-I516 HydrophobicContact CG2-CG2 3.39Å; M512-I516 HydrophobicContact CG-CD1 4.24Å; M512-I516 VanDerWaalsContact O-CG1 3.3Å; M512-I516 WeakPolarHBondContact O-CG1 3.47Å; M512-I516 PolarHBondContact O-N 3.33Å; L513-I516 PolarHBondContact O-N 2.93Å; A514-I516 VanDerWaalsContact C-N 3.34Å; A514-I516 PolarHBondContact O-N 3.18Å; I516-L518 VanDerWaalsContact C-N 3.31Å; I516-L518 PolarHBondContact O-N 3.08Å; I516-F519 PolarHBondContact O-N 3.14Å; I516-L520 WeakPolarHBondContact O-CB 3.49Å; I516-L520 PolarHBondContact O-N 2.93Å
517L91.7Very high87.5Confident61 Ų6122 Ų2232%0.31913%0.127SC..Hα-helixtrans-57.6-47.8172.9173.963.7000110.2Y126 I129 L513 A514 F519 L520 M521Y126-L517 HydrophobicContact CD1-CD1 4.42Å; Y126-L517 HydrophobicContact CE1-CD1 4.19Å; I129-L517 HydrophobicContact CD1-CB 4.23Å; I129-L517 HydrophobicContact CD1-CD1 3.63Å; I129-L517 HydrophobicContact CG2-CD1 4.42Å; I129-L517 HydrophobicContact CG2-CD2 4.46Å; L513-L517 PolarHBondContact O-N 2.84Å; A514-L517 PolarHBondContact O-N 3.45Å; L517-F519 PolarHBondContact O-N 3.34Å; L517-L520 WeakPolarHBondContact O-CB 3.41Å; L517-L520 PolarHBondContact O-N 2.96Å; L517-M521 HydrophobicContact CD1-CG 4.33Å; L517-M521 WeakPolarHBondContact O-CG 3.41Å; L517-M521 PolarHBondContact O-N 3.42Å
518L90.8Very high86.9Confident35 Ų3522 Ų2218%0.18313%0.127CC..Hα-helixtrans-60.5-46.7176.9-72.7157.8000111.6L265 F491 L500 A514 N515 I516 L520 M521 L522L265-L518 HydrophobicContact CD1-CD2 4.34Å; F491-L518 HydrophobicContact CE1-CB 4.41Å; F491-L518 HydrophobicContact CE1-CD1 3.81Å; F491-L518 HydrophobicContact CE2-CD1 4.4Å; F491-L518 HydrophobicContact CE2-CD2 3.94Å; F491-L518 HydrophobicContact CZ-CB 4.17Å; F491-L518 HydrophobicContact CZ-CD1 3.37Å; F491-L518 HydrophobicContact CZ-CD2 3.72Å; F491-L518 HydrophobicContact CZ-CG 3.94Å; L500-L518 HydrophobicContact CD1-CD1 3.59Å; A514-L518 WeakPolarHBondContact O-CD1 3.34Å; A514-L518 WeakPolarHBondContact O-CG 3.45Å; A514-L518 PolarHBondContact O-N 3.04Å; N515-L518 PolarHBondContact O-N 2.9Å; I516-L518 VanDerWaalsContact C-N 3.31Å; I516-L518 PolarHBondContact O-N 3.08Å; L518-L520 VanDerWaalsContact C-N 3.31Å; L518-L520 PolarHBondContact O-N 3.48Å; L518-M521 WeakPolarHBondContact O-CB 3.34Å; L518-M521 PolarHBondContact O-N 3.18Å; L518-M521 VanDerWaalsContact O-N 3.09Å; L518-L522 HydrophobicContact CB-CD1 4.47Å; L518-L522 WeakPolarHBondContact O-CD1 3.18Å; L518-L522 PolarHBondContact O-N 3.08Å
519F91.6Very high86.6Confident29 Ų2920.4 Ų20.413%0.12712%0.116CC..Hα-helixtrans-57.6-42.3177-174.1-95.4000112.5L74 L78 Y81 L488 N515 I516 L517 M521 L522 S523L74-F519 HydrophobicContact CD1-CD1 3.71Å; L74-F519 HydrophobicContact CD1-CE1 3.69Å; L74-F519 HydrophobicContact CD1-CG 4.27Å; L74-F519 HydrophobicContact CD1-CZ 4.26Å; L78-F519 HydrophobicContact CD2-CE1 4.3Å; L78-F519 HydrophobicContact CD2-CZ 3.8Å; L78-F519 HydrophobicContact CG-CE1 4.18Å; L78-F519 HydrophobicContact CG-CZ 4.2Å; Y81-F519 HydrophobicContact CD2-CD1 4.41Å; Y81-F519 AromaticContact CD2-CE1 3.6Å; Y81-F519 HydrophobicContact CD2-CE1 3.6Å; Y81-F519 AromaticContact CD2-CE2 3.82Å; Y81-F519 HydrophobicContact CD2-CE2 3.82Å; Y81-F519 AromaticContact CD2-CZ 3.25Å; Y81-F519 HydrophobicContact CD2-CZ 3.25Å; Y81-F519 AromaticContact CE2-CD1 3.99Å; Y81-F519 HydrophobicContact CE2-CD1 3.99Å; Y81-F519 AromaticContact CE2-CD2 3.78Å; Y81-F519 HydrophobicContact CE2-CD2 3.78Å; Y81-F519 AromaticContact CE2-CE1 3.59Å; Y81-F519 HydrophobicContact CE2-CE1 3.59Å; Y81-F519 AromaticContact CE2-CE2 3.35Å; Y81-F519 HydrophobicContact CE2-CE2 3.35Å; Y81-F519 HydrophobicContact CE2-CG 4.1Å; Y81-F519 AromaticContact CE2-CZ 3.25Å; Y81-F519 HydrophobicContact CE2-CZ 3.25Å; L488-F519 HydrophobicContact CD1-CE2 4.14Å; L488-F519 HydrophobicContact CD2-CD2 3.77Å; L488-F519 HydrophobicContact CD2-CE2 3.98Å; N515-F519 VanDerWaalsContact O-CB 3.32Å; N515-F519 WeakPolarHBondContact O-CB 3.46Å; N515-F519 PolarHBondContact O-N 3.32Å; I516-F519 PolarHBondContact O-N 3.14Å; L517-F519 PolarHBondContact O-N 3.34Å; F519-M521 VanDerWaalsContact C-N 3.33Å; F519-M521 PolarHBondContact O-N 3.34Å; F519-L522 PolarHBondContact O-N 2.89Å; F519-S523 WeakPolarHBondContact O-CB 3.4Å; F519-S523 PolarHBondContact O-N 2.88Å
520L91.2Very high86.1Confident0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-63.2-38.7175.3-173.670.1000112.1T73 I76 Y126 I129 I516 L517 L518 S523 A524T73-L520 HydrophobicContact CG2-CB 4.42Å; T73-L520 HydrophobicContact CG2-CD1 4.39Å; T73-L520 HydrophobicContact CG2-CD2 3.93Å; T73-L520 HydrophobicContact CG2-CG 4.49Å; I76-L520 HydrophobicContact CG2-CD1 4.26Å; Y126-L520 HydrophobicContact CD1-CD2 4.16Å; Y126-L520 HydrophobicContact CE1-CD2 3.73Å; Y126-L520 HydrophobicContact CE1-CG 4.44Å; Y126-L520 HydrophobicContact CE2-CD2 4.22Å; I129-L520 HydrophobicContact CD1-CD2 4.15Å; I516-L520 WeakPolarHBondContact O-CB 3.49Å; I516-L520 PolarHBondContact O-N 2.93Å; L517-L520 WeakPolarHBondContact O-CB 3.41Å; L517-L520 PolarHBondContact O-N 2.96Å; L518-L520 VanDerWaalsContact C-N 3.31Å; L518-L520 PolarHBondContact O-N 3.48Å; L520-S523 PolarHBondContact O-N 3.34Å; L520-S523 PolarHBondContact O-OG 3.47Å; L520-A524 WeakPolarHBondContact O-CB 3.48Å; L520-A524 PolarHBondContact O-N 2.81Å; L520-A524 VanDerWaalsContact O-N 3.07Å
521M89.9Confident85.3Confident21 Ų2118.3 Ų18.310%0.10310%0.104CC..Hα-helixtrans-66.6-44.5177.5-60.8-88.6-61.300111.3Y126 A258 L261 G262 L517 L518 F519 A525Y126-M521 HydrophobicContact CE1-SD 4.09Å; A258-M521 VanDerWaalsContact CA-CE 3.41Å; A258-M521 WeakPolarHBondContact CA-SD 3.12Å; A258-M521 HydrophobicContact CB-CE 3.88Å; A258-M521 HydrophobicContact CB-SD 3.16Å; A258-M521 WeakPolarHBondContact CB-SD 3.26Å; A258-M521 VanDerWaalsContact O-CE 3.26Å; A258-M521 WeakPolarHBondContact O-CE 3.16Å; L261-M521 HydrophobicContact CB-CE 3.69Å; L261-M521 HydrophobicContact CD2-CE 3.59Å; L261-M521 HydrophobicContact CG-CE 3.97Å; G262-M521 WeakPolarHBondContact CA-O 3.05Å; L517-M521 HydrophobicContact CD1-CG 4.33Å; L517-M521 WeakPolarHBondContact O-CG 3.41Å; L517-M521 PolarHBondContact O-N 3.42Å; L518-M521 WeakPolarHBondContact O-CB 3.34Å; L518-M521 PolarHBondContact O-N 3.18Å; L518-M521 VanDerWaalsContact O-N 3.09Å; F519-M521 VanDerWaalsContact C-N 3.33Å; F519-M521 PolarHBondContact O-N 3.34Å; M521-A525 PolarHBondContact O-N 3.38Å
522L89Confident84.5Confident2 Ų216.1 Ų16.11%0.019%0.093CC..Hα-helixtrans-67.2-35.8175.4-77.693.3000111.6Y81 L266 F491 L518 F519 A525 L526Y81-L522 WeakPolarHBondContact OH-CB 3.11Å; L266-L522 HydrophobicContact CD2-CB 4.38Å; L266-L522 HydrophobicContact CD2-CD2 3.79Å; L266-L522 HydrophobicContact CD2-CG 4.26Å; L266-L522 HydrophobicContact CG-CD2 4.47Å; F491-L522 HydrophobicContact CD2-CD1 4.44Å; L518-L522 HydrophobicContact CB-CD1 4.47Å; L518-L522 WeakPolarHBondContact O-CD1 3.18Å; L518-L522 PolarHBondContact O-N 3.08Å; F519-L522 PolarHBondContact O-N 2.89Å; L522-A525 PolarHBondContact O-N 2.89Å; L522-L526 PolarHBondContact O-N 2.83Å
523S88.7Confident83.7Confident0 Ų015.7 Ų15.70%09%0.091CC..Hα-helixtrans-67.1-41.1179.577.90000112.2S80 Y81 F519 L520 A525 L526S80-S523 PolarHBondContact OG-O 3.19Å; Y81-S523 VanDerWaalsContact CE2-CB 3.44Å; Y81-S523 VanDerWaalsContact CZ-CA 3.49Å; Y81-S523 PolarHBondContact OH-N 3.07Å; F519-S523 WeakPolarHBondContact O-CB 3.4Å; F519-S523 PolarHBondContact O-N 2.88Å; L520-S523 PolarHBondContact O-N 3.34Å; L520-S523 PolarHBondContact O-OG 3.47Å; S523-A525 PolarHBondContact O-N 3.46Å; S523-L526 PolarHBondContact O-N 2.92Å
524A83.5Confident82.5Confident20 Ų2016.3 Ų16.317%0.16510%0.1CC..Hα-helixtrans-63.9-24.817800000113.2S259 L520S259-A524 WeakPolarHBondContact OG-CB 3.46Å; L520-A524 WeakPolarHBondContact O-CB 3.48Å; L520-A524 PolarHBondContact O-N 2.81Å; L520-A524 VanDerWaalsContact O-N 3.07Å
525A85.2Confident81.5Confident0 Ų015 Ų150%09%0.088CC..Hα-helixtrans-93.3-8.718000000114.3S259 L263 L266 M521 L522 S523 L528 Q529S259-A525 WeakPolarHBondContact O-CB 3.42Å; L263-A525 HydrophobicContact CB-CB 4.17Å; L266-A525 HydrophobicContact CD1-CB 3.54Å; M521-A525 PolarHBondContact O-N 3.38Å; L522-A525 PolarHBondContact O-N 2.89Å; S523-A525 PolarHBondContact O-N 3.46Å; A525-L528 WeakPolarHBondContact O-CB 3.38Å; A525-L528 PolarHBondContact O-N 3.4Å; A525-Q529 PolarHBondContact O-N 3.31Å
526L80.6Confident80.3Confident0 Ų014.7 Ų14.70%09%0.086CC..Hα-helixtrans-65.6-48.7-177.5-174.477.3000113.4Y81 L84 V480 V484 L522 S523 L528 Q529 T530Y81-L526 HydrophobicContact CD1-CB 4.26Å; Y81-L526 HydrophobicContact CD1-CD2 3.68Å; Y81-L526 HydrophobicContact CD1-CG 4.45Å; Y81-L526 HydrophobicContact CE1-CB 4.16Å; Y81-L526 HydrophobicContact CE1-CD2 4.22Å; L84-L526 HydrophobicContact CD1-CD2 3.85Å; L84-L526 HydrophobicContact CD1-CG 3.99Å; V480-L526 HydrophobicContact CG1-CD2 4.17Å; V484-L526 HydrophobicContact CG2-CD1 3.99Å; V484-L526 HydrophobicContact CG2-CD2 3.65Å; V484-L526 HydrophobicContact CG2-CG 4.49Å; L522-L526 PolarHBondContact O-N 2.83Å; S523-L526 PolarHBondContact O-N 2.92Å; L526-L528 PolarHBondContact O-N 2.83Å; L526-Q529 PolarHBondContact O-N 3.43Å; L526-T530 HydrophobicContact CD1-CG2 4.36Å; L526-T530 HydrophobicContact CG-CG2 4.31Å; L526-T530 PolarHBondContact O-N 3.19Å; L526-T530 PolarHBondContact O-OG1 2.68Å
527P73.1Confident78.5Confident37 Ų3720 Ų2024%0.2412%0.12CC..Hα-helixtrans-58.2-33.1177.5-2334.7000112.7T530 N531P527-T530 PolarHBondContact O-OG1 2.76Å; P527-N531 WeakPolarHBondContact O-CB 3.41Å; P527-N531 PolarHBondContact O-N 3.05Å
528L70.5Confident76.1Confident7 Ų719 Ų194%0.03711%0.114CC..Hα-helixtrans-66.4-48.3174.3178.755.2000111.3L263 A525 L526 N531 L532 A647L263-L528 HydrophobicContact CB-CD2 4.18Å; L263-L528 HydrophobicContact CD1-CB 4.46Å; L263-L528 HydrophobicContact CD1-CD2 4.05Å; L263-L528 HydrophobicContact CD1-CG 3.89Å; L263-L528 HydrophobicContact CD2-CD2 3.64Å; L263-L528 HydrophobicContact CD2-CG 4.1Å; L263-L528 HydrophobicContact CG-CD2 4.15Å; L263-L528 HydrophobicContact CG-CG 4.48Å; A525-L528 WeakPolarHBondContact O-CB 3.38Å; A525-L528 PolarHBondContact O-N 3.4Å; L526-L528 PolarHBondContact O-N 2.83Å; L528-N531 PolarHBondContact O-N 2.79Å; L528-L532 HydrophobicContact CD1-CD1 3.92Å; L528-L532 HydrophobicContact CD1-CG 4.1Å; L528-L532 HydrophobicContact CG-CD1 3.94Å; L528-L532 WeakPolarHBondContact O-CB 3Å; L528-L532 VanDerWaalsContact O-CG 3.22Å; L528-L532 WeakPolarHBondContact O-CG 3.22Å; L528-L532 PolarHBondContact O-N 3.02Å; L528-A647 HydrophobicContact CD1-CB 3.11Å; L528-A647 HydrophobicContact CD2-CB 4.16Å; L528-A647 HydrophobicContact CG-CB 4.26Å
529Q79.5Confident73.7Confident0 Ų023.2 Ų23.20%014%0.142CC..Hα-helixtrans-61-45.4178.9-177175.130.200112.4L263 L266 A525 L526 N531 L532 L533L263-Q529 HydrophobicContact CD1-CB 4.18Å; L266-Q529 HydrophobicContact CD1-CB 4.24Å; A525-Q529 PolarHBondContact O-N 3.31Å; L526-Q529 PolarHBondContact O-N 3.43Å; Q529-N531 VanDerWaalsContact C-N 3.34Å; Q529-N531 PolarHBondContact O-N 2.93Å; Q529-L532 PolarHBondContact O-N 3.03Å; Q529-L533 HydrophobicContact CG-CD1 3.77Å; Q529-L533 HydrophobicContact CG-CG 4.37Å; Q529-L533 WeakPolarHBondContact O-CB 3.41Å; Q529-L533 VanDerWaalsContact O-CG 3.31Å; Q529-L533 WeakPolarHBondContact O-CG 3.22Å; Q529-L533 PolarHBondContact O-N 2.76Å
530T76Confident71.1Confident0 Ų023.8 Ų23.80%015%0.146CC..Hα-helixtrans-68.5-33.9-177.760.20000112.5L84 V480 L483 L526 P527 G534 L535 T536L84-T530 HydrophobicContact CD1-CG2 3.75Å; L84-T530 WeakPolarHBondContact CD1-OG1 3.17Å; V480-T530 HydrophobicContact CG1-CG2 4.47Å; V480-T530 HydrophobicContact CG2-CG2 4.11Å; L483-T530 HydrophobicContact CD1-CG2 4.48Å; L526-T530 HydrophobicContact CD1-CG2 4.36Å; L526-T530 HydrophobicContact CG-CG2 4.31Å; L526-T530 PolarHBondContact O-N 3.19Å; L526-T530 PolarHBondContact O-OG1 2.68Å; P527-T530 PolarHBondContact O-OG1 2.76Å; T530-G534 PolarHBondContact O-N 3.42Å; T530-L535 PolarHBondContact O-N 3.29Å; T530-T536 PolarHBondContact O-N 3.38Å; T530-T536 PolarHBondContact OG1-OG1 2.95Å
531N69.4Low68.4Low41 Ų4125.7 Ų25.722%0.21916%0.158CC..Hα-helixtrans-68.8-44.3172.7-170.50.5000111.3P527 L528 Q529 L533 G534 R646P527-N531 WeakPolarHBondContact O-CB 3.41Å; P527-N531 PolarHBondContact O-N 3.05Å; L528-N531 PolarHBondContact O-N 2.79Å; Q529-N531 VanDerWaalsContact C-N 3.34Å; Q529-N531 PolarHBondContact O-N 2.93Å; N531-L533 VanDerWaalsContact C-N 3.34Å; N531-L533 PolarHBondContact O-N 3.24Å; N531-G534 PolarHBondContact O-N 2.98Å; N531-R646 PolarHBondContact ND2-O 2.91Å
532L69.8Low65.7Low11 Ų1124.9 Ų24.96%0.05815%0.154CC..Hα-helixtrans-62.6-38.3177.1-72.5171.9000112.9L263 N416 L528 Q529 G534 F643 I663 Y666 N667L263-L532 HydrophobicContact CD1-CD1 3.97Å; L263-L532 HydrophobicContact CD2-CD1 3.9Å; N416-L532 PolarHBondContact ND2-O 3Å; L528-L532 HydrophobicContact CD1-CD1 3.92Å; L528-L532 HydrophobicContact CD1-CG 4.1Å; L528-L532 HydrophobicContact CG-CD1 3.94Å; L528-L532 WeakPolarHBondContact O-CB 3Å; L528-L532 VanDerWaalsContact O-CG 3.22Å; L528-L532 WeakPolarHBondContact O-CG 3.22Å; L528-L532 PolarHBondContact O-N 3.02Å; Q529-L532 PolarHBondContact O-N 3.03Å; L532-G534 PolarHBondContact O-N 2.94Å; L532-F643 HydrophobicContact CD2-CE2 4.06Å; L532-I663 HydrophobicContact CD2-CG1 3.83Å; L532-Y666 HydrophobicContact CB-CD1 3.99Å; L532-Y666 HydrophobicContact CB-CE1 3.93Å; L532-N667 PolarHBondContact O-ND2 2.9Å; L532-N667 PolarHBondContact O-OD1 3.07Å
533L73.1Confident63.1Low0 Ų027 Ų270%017%0.169CC..THydrogen-bonded Turntrans-74.3-11.6175.7-68.1169.5000113.2V413 N416 L483 Q529 N531 L535 Y666 F670V413-L533 HydrophobicContact CG2-CB 4.22Å; V413-L533 HydrophobicContact CG2-CD2 3.63Å; V413-L533 HydrophobicContact CG2-CG 4.48Å; N416-L533 PolarHBondContact ND2-O 3.48Å; L483-L533 HydrophobicContact CD1-CD1 3.68Å; L483-L533 HydrophobicContact CD2-CD1 4.3Å; Q529-L533 HydrophobicContact CG-CD1 3.77Å; Q529-L533 HydrophobicContact CG-CG 4.37Å; Q529-L533 WeakPolarHBondContact O-CB 3.41Å; Q529-L533 VanDerWaalsContact O-CG 3.31Å; Q529-L533 WeakPolarHBondContact O-CG 3.22Å; Q529-L533 PolarHBondContact O-N 2.76Å; N531-L533 VanDerWaalsContact C-N 3.34Å; N531-L533 PolarHBondContact O-N 3.24Å; L533-L535 VanDerWaalsContact C-N 3.31Å; L533-L535 HydrophobicContact CB-CD1 4.33Å; L533-L535 HydrophobicContact CB-CG 4.16Å; L533-L535 HydrophobicContact CD1-CD1 4.28Å; L533-Y666 HydrophobicContact CD2-CE1 3.84Å; L533-Y666 HydrophobicContact CG-CE1 4.12Å; L533-F670 HydrophobicContact CD2-CD1 4.21Å; L533-F670 HydrophobicContact CD2-CE1 4.48Å; L533-F670 HydrophobicContact CD2-CG 4.26Å
534G65.6Low60.4Low23 Ų2329.9 Ų29.924%0.23718%0.183CC..THydrogen-bonded Turntrans75.916.8-177.100000114N416 T530 N531 L532 T536N416-G534 VanDerWaalsContact ND2-CA 3.3Å; N416-G534 WeakPolarHBondContact ND2-CA 3.35Å; N416-G534 PolarHBondContact ND2-N 2.7Å; T530-G534 PolarHBondContact O-N 3.42Å; N531-G534 PolarHBondContact O-N 2.98Å; L532-G534 PolarHBondContact O-N 2.94Å; G534-T536 VanDerWaalsContact C-N 3.34Å
535L68.7Low58Low7 Ų733.2 Ų33.24%0.03719%0.194CC..SBendtrans-74.1-26.4177.9-70.4173.6000112.3L409 F412 Q476 L479 L483 T530 L533L409-L535 HydrophobicContact CD1-CD1 3.78Å; L409-L535 HydrophobicContact CD1-CD2 4.07Å; L409-L535 HydrophobicContact CD1-CG 4.31Å; F412-L535 HydrophobicContact CB-CD2 3.8Å; F412-L535 HydrophobicContact CD1-CD2 4.21Å; F412-L535 HydrophobicContact CD2-CD2 4.36Å; F412-L535 HydrophobicContact CG-CD2 3.88Å; Q476-L535 WeakPolarHBondContact CG-O 3.43Å; Q476-L535 PolarHBondContact NE2-O 3.05Å; L479-L535 HydrophobicContact CB-CD2 4.4Å; L479-L535 HydrophobicContact CD1-CD2 3.85Å; L483-L535 HydrophobicContact CD1-CD1 3.35Å; T530-L535 PolarHBondContact O-N 3.29Å; L533-L535 VanDerWaalsContact C-N 3.31Å; L533-L535 HydrophobicContact CB-CD1 4.33Å; L533-L535 HydrophobicContact CB-CG 4.16Å; L533-L535 HydrophobicContact CD1-CD1 4.28Å
536T65.9Low55.5Low6 Ų635.7 Ų35.74%0.03721%0.209CC..  trans-136.1119.4-179.552.50000109.2I88 Q476 T530 G534 L538I88-T536 HydrophobicContact CD1-CG2 4.34Å; Q476-T536 VanDerWaalsContact NE2-CG2 3.34Å; T530-T536 PolarHBondContact O-N 3.38Å; T530-T536 PolarHBondContact OG1-OG1 2.95Å; G534-T536 VanDerWaalsContact C-N 3.34Å; T536-L538 PolarHBondContact O-N 2.87Å
537T53.9Low53.4Low121 Ų12141.3 Ų41.374%0.74224%0.236SC*.  trans-8513.2172.751.40000113T539T537-T539 PolarHBondContact O-N 3Å
538L42Very low51.3Low38 Ų3843.3 Ų43.320%0.19926%0.255CS..  trans-66.2106.7-179-68168.2000109.6T536 L540T536-L538 PolarHBondContact O-N 2.87Å; L538-L540 HydrophobicContact CB-CD1 3.77Å; L538-L540 HydrophobicContact CD1-CD1 4.33Å; L538-L540 PolarHBondContact O-N 3.14Å
539T41Very low49.4Very low125 Ų12549.6 Ų49.677%0.76729%0.287SS*.  trans-67.374.8156.944.80000107.4T537 P541T537-T539 PolarHBondContact O-N 3Å; T539-P541 WeakPolarHBondContact O-CD 3.36Å
540L35.6Very low47.1Very low41 Ų4155.3 Ų55.322%0.21532%0.317CS..  trans-53.8125.9167.8-103.982.9000106.9L83 I115 L538 S542L83-L540 HydrophobicContact CD2-CD2 4.48Å; I115-L540 HydrophobicContact CD1-CD2 3.46Å; I115-L540 VanDerWaalsContact CD1-CD2 3.46Å; I115-L540 HydrophobicContact CD1-CG 3.93Å; I115-L540 HydrophobicContact CG1-CD2 3.99Å; L538-L540 HydrophobicContact CB-CD1 3.77Å; L538-L540 HydrophobicContact CD1-CD1 4.33Å; L538-L540 PolarHBondContact O-N 3.14Å; L540-S542 PolarHBondContact O-N 2.68Å
541P35.8Very low44.6Very low39 Ų3961.2 Ų61.225%0.25335%0.348SS..  trans-62.8114.1169.623.8-29.1000107.6T539T539-P541 WeakPolarHBondContact O-CD 3.36Å
542S33.6Very low42.6Very low4 Ų462.4 Ų62.43%0.02836%0.359CS..  trans-52.1130.4161.252.20000108.1L540 L544 K545 F648 G649L540-S542 PolarHBondContact O-N 2.68Å; S542-L544 PolarHBondContact O-N 2.96Å; S542-K545 PolarHBondContact O-N 2.96Å; S542-F648 WeakPolarHBondContact CB-O 3.25Å; S542-G649 PolarHBondContact OG-O 2.86Å
543P34.6Very low40.5Very low47 Ų4767.8 Ų67.831%0.30539%0.392SS..THydrogen-bonded Turntrans-64.20.5-179.725.8-34.8000114.3L116 T546L116-P543 HydrophobicContact CD1-CB 4.45Å; P543-T546 PolarHBondContact O-OG1 2.86Å
544L31.3Very low38.3Very low60 Ų6077.4 Ų77.431%0.31443%0.43SS..THydrogen-bonded Turntrans-96.11172.9-95.9131.5000113.8E252 S542 Y650E252-L544 WeakPolarHBondContact OE1-CD1 3.25Å; S542-L544 PolarHBondContact O-N 2.96Å; L544-Y650 HydrophobicContact CB-CD1 4.04Å; L544-Y650 HydrophobicContact CB-CE1 3.19Å; L544-Y650 HydrophobicContact CD1-CE1 3.75Å; L544-Y650 WeakPolarHBondContact CD1-OH 3.46Å; L544-Y650 HydrophobicContact CD2-CE1 4.45Å; L544-Y650 HydrophobicContact CG-CE1 3.95Å
545K32.8Very low36.4Very low91 Ų9180.2 Ų80.240%0.39645%0.451SS..SBendtrans-87-9.7171.8-143.2178.4-175.9-169.90112.9S542 E547 A548S542-K545 PolarHBondContact O-N 2.96Å; K545-E547 PolarHBondContact O-N 3.33Å; K545-A548 PolarHBondContact O-N 3.36Å
546T33.3Very low34.4Very low51 Ų5188 Ų8831%0.31349%0.487SS..G310 helixtrans-69.9-17.5175.1-3.50000113.2P543P543-T546 PolarHBondContact O-OG1 2.86Å
547E35.1Very low32.5Very low119 Ų11993.8 Ų93.856%0.55653%0.526SS*.G310 helixtrans-82.6-12.4174.3-68.8-172.6177.100113.7K545K545-E547 PolarHBondContact O-N 3.33Å
548A30.5Very low31.3Very low79 Ų7992.8 Ų92.865%0.65352%0.524SS*.G310 helixtrans-89.1-9.5179.300000113.7K545K545-A548 PolarHBondContact O-N 3.36Å
549I29.5Very low30.9Very low138 Ų13895.7 Ų95.771%0.70855%0.548SS*.SBendtrans-111.2-6.3-177.9-59.6168.3000111.3
550L30.9Very low30.4Very low120 Ų12097.3 Ų97.363%0.62855%0.551SS**  trans-101.813.4-179.4-81.3168.2000115.3P552L550-P552 VanDerWaalsContact C-CD 3.45Å; L550-P552 WeakPolarHBondContact O-CD 3.35Å
551L25.3Very low30.1Very low124 Ų124101.5 Ų101.565%0.64958%0.578SS**  trans-87.698.3150.3-85.2121.4000107T553L551-T553 VanDerWaalsContact C-N 3.29Å; L551-T553 PolarHBondContact O-N 3.42Å; L551-T553 VanDerWaalsContact O-N 3.08Å
552P25.4Very low29.8Very low67 Ų67105 Ų10544%0.43560%0.602SS.*  trans-56119.1135.228.8-24.5000102.4L550 Y554L550-P552 VanDerWaalsContact C-CD 3.45Å; L550-P552 WeakPolarHBondContact O-CD 3.35Å; P552-Y554 HydrophobicContact CG-CD2 3.86Å; P552-Y554 HydrophobicContact CG-CE2 3.47Å; P552-Y554 VanDerWaalsContact CG-CE2 3.47Å; P552-Y554 PolarHBondContact O-N 3.47Å
553T26Very low29.7Very low124 Ų124113.1 Ų113.176%0.76164%0.64SS**  trans-5392.1152.945.40000104.2L551 A555L551-T553 VanDerWaalsContact C-N 3.29Å; L551-T553 PolarHBondContact O-N 3.42Å; L551-T553 VanDerWaalsContact O-N 3.08Å; T553-A555 PolarHBondContact O-N 3.38Å
554Y27.9Very low29.4Very low201 Ų201116.3 Ų116.379%0.78866%0.663SS**  trans-60.680.9149.7-67.1-78000102.5P552 E556P552-Y554 HydrophobicContact CG-CD2 3.86Å; P552-Y554 HydrophobicContact CG-CE2 3.47Å; P552-Y554 VanDerWaalsContact CG-CE2 3.47Å; P552-Y554 PolarHBondContact O-N 3.47Å; Y554-E556 PolarHBondContact O-N 3.47Å
555A25.7Very low29.5Very low83 Ų83118.4 Ų118.469%0.68668%0.682SS**  trans-57.590.4140.500000102.4T553 C557T553-A555 PolarHBondContact O-N 3.38Å; A555-C557 PolarHBondContact O-N 2.89Å
556E26.9Very low29.5Very low170 Ų170122.1 Ų122.179%0.79470%0.701SS**  trans-45.5104.9148.4-82.1174.9147.900103.6Y554 S558Y554-E556 PolarHBondContact O-N 3.47Å; E556-S558 PolarHBondContact O-N 3.48Å
557C24.8Very low29.6Very low128 Ų128129.4 Ų129.487%0.86572%0.724SS**  trans-58.785.7148.6-75.80000103.5A555 S559A555-C557 PolarHBondContact O-N 2.89Å; C557-S559 PolarHBondContact O-N 3.46Å
558S30.2Very low29.2Very low100 Ų100134.5 Ų134.570%0.69974%0.738SS**  trans-51.4119.417038.20000105.3E556 L560E556-S558 PolarHBondContact O-N 3.48Å; S558-L560 PolarHBondContact O-N 3.44Å
559S32.9Very low29.2Very low98 Ų98140.3 Ų140.369%0.68575%0.749SS**  trans-24.2127.3167.850.20000112C557 V561C557-S559 PolarHBondContact O-N 3.46Å; S559-V561 PolarHBondContact O-N 2.95Å; S559-V561 VanDerWaalsContact O-N 3.09Å
560L29.5Very low29.2Very low160 Ų160140.3 Ų140.384%0.83875%0.749SS**  trans-21.1108.2165.5-73.984.9000112.7S558S558-L560 PolarHBondContact O-N 3.44Å
561V31Very low29.3Very low129 Ų129140.5 Ų140.578%0.78276%0.759SS**  trans-109.789.3151.2-1790000105.3S559 E563S559-V561 PolarHBondContact O-N 2.95Å; S559-V561 VanDerWaalsContact O-N 3.09Å; V561-E563 PolarHBondContact O-N 3.07Å; V561-E563 VanDerWaalsContact O-N 3.15Å
562C28.8Very low29.6Very low113 Ų113141.2 Ų141.276%0.76476%0.764SS**  trans-68.8103.7165.2-70.90000107.3
563E30.5Very low29.9Very low174 Ų174147 Ų14781%0.81379%0.785SS**  trans-83.7120.5169.3-163.4140.9-15600109.2V561 S565V561-E563 PolarHBondContact O-N 3.07Å; V561-E563 VanDerWaalsContact O-N 3.15Å; E563-S565 PolarHBondContact O-N 2.79Å
564S28.9Very low30.4Very low114 Ų114147.9 Ų147.980%0.79779%0.785SS**  trans-68.6113.4-17853.80000111
565S34.1Very low30.4Very low103 Ų103144.8 Ų144.872%0.7279%0.787SS**  trans-157.4111.1147.350.30000111.3E563E563-S565 PolarHBondContact O-N 2.79Å
566Q32.8Very low30.9Very low169 Ų169146.1 Ų146.179%0.7979%0.792SS**  trans50.2121.3142.4-69.1-179.1-20.400119.8
567Y35Very low30.9Very low204 Ų204145.8 Ų145.880%0.880%0.796SS**  trans86.378.2164.2-59.1-80000118.4
568R25.8Very low30.9Very low226 Ų226145.2 Ų145.285%0.85379%0.792SS**  34.395.2121.2-160.8-173.6-122.1-174.90.7116.5
569F31.3Very low30.8Very low201 Ų201145.4 Ų145.488%0.88279%0.79SS**  trans-136.2124.1145-93.8-83.4000110.7
570I29.8Very low30.5Very low138 Ų138145.8 Ų145.871%0.70879%0.793SS**  trans-75125.6170.1-66.7161.4000106.2
571C32.1Very low30.4Very low124 Ų124143.9 Ų143.984%0.83879%0.788SS**  trans-114.6118.1163.9-74.60000108.1
572D32.3Very low30.2Very low140 Ų140146.2 Ų146.275%0.74979%0.788SS**  trans-63.1146.9-175-70.8-49.2000113.8N574D572-N574 PolarHBondContact O-N 3.42Å
573E31.5Very low30Very low189 Ų189146.6 Ų146.688%0.88379%0.787SS**  trans-62.899.3158.9-81.7179.6140.600109.1
574N36.3Very low29.8Very low141 Ų141143.4 Ų143.475%0.75478%0.784SS**  trans-163.4105.3154.2-92.8-32000110.7D572D572-N574 PolarHBondContact O-N 3.42Å
575T29.3Very low29.9Very low136 Ų136147 Ų14783%0.83479%0.785SS**  trans34.190.814756.40000117.4
576S34.2Very low29.8Very low112 Ų112148 Ų14878%0.78378%0.777SS**  trans-135.8109.8151.565.50000110.1C578S576-C578 PolarHBondContact O-N 3.4Å
577N27.5Very low30Very low163 Ų163142.2 Ų142.287%0.87276%0.755SS**  trans-33.899.6171.3-61.7-30.5000114
578C25.5Very low30.6Very low116 Ų116134.6 Ų134.678%0.78473%0.731SS**  trans-74.9125.3143-75.30000106.2S576 S580S576-C578 PolarHBondContact O-N 3.4Å; C578-S580 PolarHBondContact O-N 3.01Å
579P27.8Very low31.7Very low103 Ų103124.6 Ų124.667%0.66970%0.696SS**  trans-62.3115.9168.827.2-28.5000105.7T581P579-T581 PolarHBondContact O-N 3.38Å
580S26.2Very low32.4Very low107 Ų107121.3 Ų121.375%0.74868%0.678SS**  trans-6085.7153.157.50000105.6C578 K582C578-S580 PolarHBondContact O-N 3.01Å; S580-K582 PolarHBondContact O-N 2.8Å
581T27.9Very low32.9Very low119 Ų119118 Ų11873%0.7366%0.657SS**  trans-65.186159.235.70000104.7P579 T583P579-T581 PolarHBondContact O-N 3.38Å; T581-T583 PolarHBondContact O-N 2.92Å
582K25.8Very low33.4Very low179 Ų179113.8 Ų113.878%0.77863%0.627SS**  trans-41116.3156.1-80.8-177.7174.5-178.80104.4S580 S584S580-K582 PolarHBondContact O-N 2.8Å; K582-S584 VanDerWaalsContact C-N 3.25Å; K582-S584 PolarHBondContact O-N 3.39Å
583T25.7Very low33.8Very low120 Ų120111.8 Ų111.874%0.73661%0.611SS**  trans-55.497.3175.138.10000106.6T581 K585T581-T583 PolarHBondContact O-N 2.92Å; T583-K585 PolarHBondContact O-N 2.99Å
584S26.2Very low34.3Very low108 Ų108107.5 Ų107.576%0.75559%0.594SS**  trans-67.186163.463.50000104.4K582 K586K582-S584 VanDerWaalsContact C-N 3.25Å; K582-S584 PolarHBondContact O-N 3.39Å; S584-K586 PolarHBondContact O-N 3.48Å
585K30.3Very low34.6Very low188 Ų188104.6 Ų104.682%0.81758%0.578SS**  trans-58.888.9163.8-81-178.9174.51770105.3T583 S587T583-K585 PolarHBondContact O-N 2.99Å; K585-S587 PolarHBondContact O-N 3.36Å
586K32.5Very low34.9Very low126 Ų126100.2 Ų100.255%0.54855%0.552SS.*  trans-61.1110.8172.8-150.1170.4178.2179.60104.7D455 N457 S584 S588D455-K586 IonicContact OD1-NZ 3.79Å; D455-K586 PolarHBondContact OD1-NZ 3.3Å; D455-K586 IonicContact OD2-NZ 2.72Å; D455-K586 PolarHBondContact OD2-NZ 3.21Å; N457-K586 PolarHBondContact OD1-NZ 3.47Å; S584-K586 PolarHBondContact O-N 3.48Å; K586-S588 PolarHBondContact O-N 2.95Å
587S38.4Very low34.7Very low47 Ų4796.4 Ų96.433%0.32953%0.531SS..  trans-57110.7-171.5-177.40000109.4K585 K593K585-S587 PolarHBondContact O-N 3.36Å; S587-K593 PolarHBondContact OG-NZ 2.99Å
588S45.6Very low34.8Very low43 Ų4394.7 Ų94.730%0.30153%0.527SS..  trans-70.7133.1165.661.40000107.5K586 T592 K593K586-S588 PolarHBondContact O-N 2.95Å; S588-T592 WeakPolarHBondContact CA-OG1 3.23Å; S588-T592 WeakPolarHBondContact CB-OG1 2.89Å; S588-K593 WeakPolarHBondContact O-CD 3.38Å; S588-K593 WeakPolarHBondContact O-CE 3.44Å; S588-K593 PolarHBondContact O-NZ 2.89Å; S588-K593 WeakPolarHBondContact OG-CE 3Å; S588-K593 VanDerWaalsContact OG-CG 3.29Å; S588-K593 WeakPolarHBondContact OG-CG 3.45Å
589S50.3Low35.2Very low17 Ų1797.1 Ų97.112%0.11952%0.521CS..  trans-50.5149.2-176.373.90000111.3E20 D113 W591 T592 K593E20-S589 VanDerWaalsContact OE1-CA 3.25Å; E20-S589 WeakPolarHBondContact OE1-CA 3.27Å; D113-S589 PolarHBondContact OD1-OG 2.84Å; S589-W591 PolarHBondContact O-N 2.87Å; S589-T592 PolarHBondContact N-OG1 3Å; S589-T592 CarbonylContact O-C 3.57Å; S589-T592 WeakPolarHBondContact O-CA 3.38Å; S589-T592 PolarHBondContact O-N 2.82Å; S589-T592 PolarHBondContact O-OG1 3.38Å; S589-T592 WeakPolarHBondContact OG-CG2 2.98Å; S589-T592 PolarHBondContact OG-N 3.31Å; S589-T592 PolarHBondContact OG-OG1 3.22Å; S589-K593 PolarHBondContact O-N 2.88Å
590W46.2Very low35.5Very low132 Ų13297 Ų9750%0.551%0.51SS..Hα-helixtrans-52.5-34.5178.9178.884.2000111.8E20 K593 L594E20-W590 PolarHBondContact OE1-N 2.95Å; W590-K593 CarbonylContact O-C 3.36Å; W590-K593 PolarHBondContact O-N 3.29Å; W590-L594 HydrophobicContact CH2-CD1 3.83Å; W590-L594 HydrophobicContact CH2-CD2 3.97Å; W590-L594 HydrophobicContact CH2-CG 4.45Å; W590-L594 HydrophobicContact CZ2-CD1 3.56Å; W590-L594 HydrophobicContact CZ3-CD1 4.44Å; W590-L594 HydrophobicContact CZ3-CD2 4.05Å; W590-L594 VanDerWaalsContact O-CB 3.24Å; W590-L594 WeakPolarHBondContact O-CB 3.43Å; W590-L594 PolarHBondContact O-N 3.45Å
591W39.6Very low35.6Very low69 Ų6997.8 Ų97.826%0.26151%0.506SS..Hα-helixtrans-61.5-47.2171.7-68.9104.7000113L24 L116 S589 K593 L594 I595L24-W591 HydrophobicContact CD1-CZ2 3.97Å; L116-W591 HydrophobicContact CD2-CB 4.35Å; S589-W591 PolarHBondContact O-N 2.87Å; W591-K593 VanDerWaalsContact C-N 3.32Å; W591-K593 PolarHBondContact O-N 3.07Å; W591-L594 HydrophobicContact CE3-CD2 4.38Å; W591-L594 HydrophobicContact CZ3-CD2 4.38Å; W591-L594 PolarHBondContact O-N 3.34Å; W591-I595 VanDerWaalsContact O-CB 3.29Å; W591-I595 WeakPolarHBondContact O-CB 3.29Å; W591-I595 VanDerWaalsContact O-CD1 3.32Å; W591-I595 WeakPolarHBondContact O-CD1 3.39Å; W591-I595 WeakPolarHBondContact O-CG1 3.46Å; W591-I595 PolarHBondContact O-N 3.32Å
592T43.5Very low35.8Very low34 Ų3497.2 Ų97.221%0.20951%0.506CS..Hα-helixtrans-64.1-36.617459.70000111.8S588 S589 I595 S596S588-T592 WeakPolarHBondContact CA-OG1 3.23Å; S588-T592 WeakPolarHBondContact CB-OG1 2.89Å; S589-T592 PolarHBondContact N-OG1 3Å; S589-T592 CarbonylContact O-C 3.57Å; S589-T592 WeakPolarHBondContact O-CA 3.38Å; S589-T592 PolarHBondContact O-N 2.82Å; S589-T592 PolarHBondContact O-OG1 3.38Å; S589-T592 WeakPolarHBondContact OG-CG2 2.98Å; S589-T592 PolarHBondContact OG-N 3.31Å; S589-T592 PolarHBondContact OG-OG1 3.22Å; T592-I595 PolarHBondContact O-N 3.15Å; T592-S596 WeakPolarHBondContact O-CA 3.37Å; T592-S596 WeakPolarHBondContact O-CB 3.22Å; T592-S596 PolarHBondContact O-N 3.5Å; T592-S596 PolarHBondContact O-OG 3.48Å
593K40.5Very low36.1Very low98 Ų9893.2 Ų93.243%0.42649%0.489SS..Hα-helixtrans-68.7-34.1173-71.4173179.6141.80113.3S587 S588 S589 W590 W591 G597S587-K593 PolarHBondContact OG-NZ 2.99Å; S588-K593 WeakPolarHBondContact O-CD 3.38Å; S588-K593 WeakPolarHBondContact O-CE 3.44Å; S588-K593 PolarHBondContact O-NZ 2.89Å; S588-K593 WeakPolarHBondContact OG-CE 3Å; S588-K593 VanDerWaalsContact OG-CG 3.29Å; S588-K593 WeakPolarHBondContact OG-CG 3.45Å; S589-K593 PolarHBondContact O-N 2.88Å; W590-K593 CarbonylContact O-C 3.36Å; W590-K593 PolarHBondContact O-N 3.29Å; W591-K593 VanDerWaalsContact C-N 3.32Å; W591-K593 PolarHBondContact O-N 3.07Å; K593-G597 WeakPolarHBondContact O-CA 3.44Å; K593-G597 PolarHBondContact O-N 2.9Å
594L41.6Very low36.7Very low100 Ų10093 Ų9352%0.52448%0.483SS..Hα-helixtrans-70.5-35.2176.4-161.987.7000111W590 W591W590-L594 HydrophobicContact CH2-CD1 3.83Å; W590-L594 HydrophobicContact CH2-CD2 3.97Å; W590-L594 HydrophobicContact CH2-CG 4.45Å; W590-L594 HydrophobicContact CZ2-CD1 3.56Å; W590-L594 HydrophobicContact CZ3-CD1 4.44Å; W590-L594 HydrophobicContact CZ3-CD2 4.05Å; W590-L594 VanDerWaalsContact O-CB 3.24Å; W590-L594 WeakPolarHBondContact O-CB 3.43Å; W590-L594 PolarHBondContact O-N 3.45Å; W591-L594 HydrophobicContact CE3-CD2 4.38Å; W591-L594 HydrophobicContact CZ3-CD2 4.38Å; W591-L594 PolarHBondContact O-N 3.34Å
595I42.8Very low37.1Very low80 Ų8091.4 Ų91.441%0.4146%0.461SS..Hα-helixtrans-87.3-32-179.5-64.7163.2000111.3L116 I120 W591 T592L116-I595 HydrophobicContact CD1-CD1 4.49Å; L116-I595 HydrophobicContact CD2-CD1 3.73Å; L116-I595 HydrophobicContact CG-CD1 4.31Å; I120-I595 HydrophobicContact CD1-CD1 3.8Å; W591-I595 VanDerWaalsContact O-CB 3.29Å; W591-I595 WeakPolarHBondContact O-CB 3.29Å; W591-I595 VanDerWaalsContact O-CD1 3.32Å; W591-I595 WeakPolarHBondContact O-CD1 3.39Å; W591-I595 WeakPolarHBondContact O-CG1 3.46Å; W591-I595 PolarHBondContact O-N 3.32Å; T592-I595 PolarHBondContact O-N 3.15Å
596S36.2Very low37.2Very low43 Ų4387.8 Ų87.830%0.30145%0.45SS..SBendtrans-911.7177.385.10000113.3T592 T598T592-S596 WeakPolarHBondContact O-CA 3.37Å; T592-S596 WeakPolarHBondContact O-CB 3.22Å; T592-S596 PolarHBondContact O-N 3.5Å; T592-S596 PolarHBondContact O-OG 3.48Å; S596-T598 PolarHBondContact O-N 3.49Å
597G28.2Very low37.3Very low33 Ų3384.9 Ų84.934%0.3444%0.443SS..SBendtrans-62.896.1-178.100000112.5K593 Y599K593-G597 WeakPolarHBondContact O-CA 3.44Å; K593-G597 PolarHBondContact O-N 2.9Å; G597-Y599 PolarHBondContact O-N 3.29Å
598T30.2Very low37.2Very low127 Ų12784.6 Ų84.678%0.77944%0.436SS*.SBendtrans49.2-0.3155.156.50000120S596S596-T598 PolarHBondContact O-N 3.49Å
599Y33.6Very low36.6Very low167 Ų16785.8 Ų85.866%0.65544%0.438SS*.SBendtrans-112.7-12.8177.6-84.9-83.5000113.3G597G597-Y599 PolarHBondContact O-N 3.29Å
600F33.7Very low35.8Very low99 Ų9993 Ų9343%0.43446%0.463SS..SBendtrans-113.5-9.9-178.2-82.6-99000114.7Q244 S602Q244-F600 HydrophobicContact CB-CE1 3.91Å; Q244-F600 HydrophobicContact CG-CD1 3.85Å; Q244-F600 HydrophobicContact CG-CE1 3.54Å; F600-S602 PolarHBondContact O-N 2.78Å
601D30Very low35.3Very low125 Ų12589.4 Ų89.467%0.66846%0.455SS*.THydrogen-bonded Turntrans-87.97.4-168.2-98.5-8.1000116.4
602S30.4Very low35Very low106 Ų10690.6 Ų90.674%0.74147%0.466SS*.THydrogen-bonded Turntrans-108.614.8-172.3-70.10000116.2F600F600-S602 PolarHBondContact O-N 2.78Å
603F33.5Very low34.5Very low96 Ų9691.7 Ų91.742%0.42147%0.471SS..  trans-131.3126.5179-109.2-93.1000113.9W605F603-W605 PolarHBondContact O-N 2.98Å
604N36.7Very low34.2Very low115 Ų11591.9 Ų91.962%0.61548%0.482SS*.  trans-68.375.9174.6-136.8-11.6000109L606 T607 F608N604-L606 PolarHBondContact O-N 3.12Å; N604-T607 WeakPolarHBondContact CB-OG1 3.41Å; N604-T607 VanDerWaalsContact CG-OG1 3.23Å; N604-T607 PolarHBondContact ND2-OG1 3.14Å; N604-T607 WeakPolarHBondContact O-CA 3.1Å; N604-T607 WeakPolarHBondContact O-CB 3.43Å; N604-T607 PolarHBondContact O-N 2.75Å; N604-T607 PolarHBondContact O-OG1 2.87Å; N604-F608 PolarHBondContact O-N 3.5Å
605W36.2Very low33.6Very low74 Ų7493.9 Ų93.928%0.2849%0.487SS..Hα-helixtrans-52.4-37.7-173.8179.9-112000112.8V245 F603 T607 F608 I609V245-W605 HydrophobicContact CB-CZ3 4.43Å; V245-W605 HydrophobicContact CG2-CH2 4.4Å; V245-W605 HydrophobicContact CG2-CZ3 3.68Å; F603-W605 PolarHBondContact O-N 2.98Å; W605-T607 VanDerWaalsContact C-N 3.35Å; W605-T607 PolarHBondContact O-N 2.86Å; W605-F608 PolarHBondContact O-N 2.68Å; W605-I609 HydrophobicContact CD2-CD1 4.27Å; W605-I609 HydrophobicContact CG-CD1 4.41Å; W605-I609 HydrophobicContact CZ2-CD1 3.97Å; W605-I609 VanDerWaalsContact NE1-CD1 3.32Å; W605-I609 WeakPolarHBondContact O-CB 3.45Å; W605-I609 WeakPolarHBondContact O-CG1 3.2Å; W605-I609 PolarHBondContact O-N 2.94Å
606L31.3Very low33Very low113 Ų11392.3 Ų92.359%0.59248%0.483SS*.Hα-helixtrans-64.2-34.6174.2-94.5129.7000113.6N604 R610N604-L606 PolarHBondContact O-N 3.12Å; L606-R610 WeakPolarHBondContact O-CB 3.25Å; L606-R610 WeakPolarHBondContact O-CG 3.41Å; L606-R610 PolarHBondContact O-N 2.97Å
607T34.3Very low32.7Very low65 Ų6594 Ų9440%0.39949%0.494SS..Hα-helixtrans-73.4-38.5178.9-39.10000110.4N604 W605 R610 T611N604-T607 WeakPolarHBondContact CB-OG1 3.41Å; N604-T607 VanDerWaalsContact CG-OG1 3.23Å; N604-T607 PolarHBondContact ND2-OG1 3.14Å; N604-T607 WeakPolarHBondContact O-CA 3.1Å; N604-T607 WeakPolarHBondContact O-CB 3.43Å; N604-T607 PolarHBondContact O-N 2.75Å; N604-T607 PolarHBondContact O-OG1 2.87Å; W605-T607 VanDerWaalsContact C-N 3.35Å; W605-T607 PolarHBondContact O-N 2.86Å; T607-R610 WeakPolarHBondContact O-CB 3.29Å; T607-R610 PolarHBondContact O-N 2.85Å; T607-T611 PolarHBondContact O-N 3.5Å; T607-T611 VanDerWaalsContact O-N 3.12Å; T607-T611 PolarHBondContact O-OG1 2.96Å
608F35.9Very low32.9Very low40 Ų4098.3 Ų98.318%0.17552%0.516CS..Hα-helixtrans-73.9-40.4178.5-174.9-100.8000112.7V245 N604 W605 R610 T611 I612V245-F608 HydrophobicContact CB-CE1 4.27Å; V245-F608 HydrophobicContact CG1-CE1 3.69Å; V245-F608 HydrophobicContact CG1-CZ 4.42Å; V245-F608 HydrophobicContact CG2-CD1 4.21Å; V245-F608 HydrophobicContact CG2-CE1 3.66Å; V245-F608 HydrophobicContact CG2-CZ 4.3Å; N604-F608 PolarHBondContact O-N 3.5Å; W605-F608 PolarHBondContact O-N 2.68Å; F608-R610 VanDerWaalsContact C-N 3.29Å; F608-R610 PolarHBondContact O-N 3.4Å; F608-T611 WeakPolarHBondContact O-CB 3.28Å; F608-T611 PolarHBondContact O-N 3.46Å; F608-I612 HydrophobicContact CD1-CD1 4.09Å; F608-I612 HydrophobicContact CD2-CD1 4.5Å; F608-I612 HydrophobicContact CE1-CD1 3.39Å; F608-I612 HydrophobicContact CE2-CD1 3.88Å; F608-I612 HydrophobicContact CZ-CD1 3.29Å; F608-I612 HydrophobicContact CZ-CG1 4.47Å; F608-I612 PolarHBondContact O-N 3Å; F608-I612 VanDerWaalsContact O-N 3.15Å
609I34.6Very low32.9Very low68 Ų6896.8 Ų96.835%0.34951%0.511SS..Hα-helixtrans-63.3-35.5170.1-71-172.7000111.2W605 T611 I612 N613W605-I609 HydrophobicContact CD2-CD1 4.27Å; W605-I609 HydrophobicContact CG-CD1 4.41Å; W605-I609 HydrophobicContact CZ2-CD1 3.97Å; W605-I609 VanDerWaalsContact NE1-CD1 3.32Å; W605-I609 WeakPolarHBondContact O-CB 3.45Å; W605-I609 WeakPolarHBondContact O-CG1 3.2Å; W605-I609 PolarHBondContact O-N 2.94Å; I609-T611 VanDerWaalsContact C-N 3.25Å; I609-T611 PolarHBondContact O-N 2.64Å; I609-I612 PolarHBondContact O-N 3.39Å; I609-N613 HydrophobicContact CG2-CB 4.44Å; I609-N613 WeakPolarHBondContact O-CB 3.14Å; I609-N613 PolarHBondContact O-N 2.9Å
610R32.8Very low32.8Very low170 Ų17094.6 Ų94.664%0.64252%0.517SS*.Hα-helixtrans-63.6-29171-86.7-178-157.4165.26.6113.1L606 T607 F608L606-R610 WeakPolarHBondContact O-CB 3.25Å; L606-R610 WeakPolarHBondContact O-CG 3.41Å; L606-R610 PolarHBondContact O-N 2.97Å; T607-R610 WeakPolarHBondContact O-CB 3.29Å; T607-R610 PolarHBondContact O-N 2.85Å; F608-R610 VanDerWaalsContact C-N 3.29Å; F608-R610 PolarHBondContact O-N 3.4Å
611T36.1Very low32.7Very low56 Ų5696.7 Ų96.734%0.34453%0.533SS..Hα-helixtrans-79.4-28.7179.6-40.20000112.3F206 T607 F608 I609F206-T611 HydrophobicContact CD2-CG2 4.35Å; F206-T611 WeakPolarHBondContact CD2-O 3.41Å; T607-T611 PolarHBondContact O-N 3.5Å; T607-T611 VanDerWaalsContact O-N 3.12Å; T607-T611 PolarHBondContact O-OG1 2.96Å; F608-T611 WeakPolarHBondContact O-CB 3.28Å; F608-T611 PolarHBondContact O-N 3.46Å; I609-T611 VanDerWaalsContact C-N 3.25Å; I609-T611 PolarHBondContact O-N 2.64Å
612I33.7Very low32.7Very low93 Ų9396.1 Ų96.148%0.47753%0.53SS..Hα-helixtrans-101.9-18.4-174.5-63.3-177.9000112.9F608 I609 P614F608-I612 HydrophobicContact CD1-CD1 4.09Å; F608-I612 HydrophobicContact CD2-CD1 4.5Å; F608-I612 HydrophobicContact CE1-CD1 3.39Å; F608-I612 HydrophobicContact CE2-CD1 3.88Å; F608-I612 HydrophobicContact CZ-CD1 3.29Å; F608-I612 HydrophobicContact CZ-CG1 4.47Å; F608-I612 PolarHBondContact O-N 3Å; F608-I612 VanDerWaalsContact O-N 3.15Å; I609-I612 PolarHBondContact O-N 3.39Å; I612-P614 VanDerWaalsContact O-CD 3.23Å; I612-P614 WeakPolarHBondContact O-CD 3.44Å
613N32Very low32.7Very low58 Ų5898.5 Ų98.531%0.3153%0.533SS..  trans-99.2105.8-177.2-160.5-9.4000111.6I609 F615I609-N613 HydrophobicContact CG2-CB 4.44Å; I609-N613 WeakPolarHBondContact O-CB 3.14Å; I609-N613 PolarHBondContact O-N 2.9Å; N613-F615 PolarHBondContact O-N 3.17Å
614P34Very low32.4Very low102 Ų102101.8 Ų101.866%0.66256%0.555SS**THydrogen-bonded Turntrans-69.35.2-178.826.5-30.5000114I612I612-P614 VanDerWaalsContact O-CD 3.23Å; I612-P614 WeakPolarHBondContact O-CD 3.44Å
615F30.3Very low32.1Very low142 Ų142105.4 Ų105.462%0.62357%0.568SS**THydrogen-bonded Turntrans-114.49.8-175.5-65.1-76.8000115.3N181 N613N181-F615 WeakPolarHBondContact ND2-CZ 3.45Å; N613-F615 PolarHBondContact O-N 3.17Å
616S29.6Very low31.6Very low47 Ų47106.7 Ų106.733%0.32959%0.589SS.*  trans-101.487.5175.462.80000112.8
617S29Very low31.4Very low77 Ų77107.7 Ų107.754%0.53860%0.6SS.*PPolyproline II helixtrans-61.7140.5171.955.20000114K635S617-K635 PolarHBondContact O-NZ 3.45Å; S617-K635 WeakPolarHBondContact OG-CE 3.45Å; S617-K635 PolarHBondContact OG-NZ 3.42Å
618P33.2Very low31Very low124 Ų124110.6 Ų110.681%0.80562%0.617SS**PPolyproline II helixtrans-86138.3165.45.413.4000109.8
619S29.3Very low30.5Very low96 Ų96114.9 Ų114.967%0.67165%0.649SS**PPolyproline II helixtrans-79.2144.2159.1650000108.7N621S619-N621 PolarHBondContact O-N 2.52Å
620P31.7Very low29.9Very low120 Ų120122.5 Ų122.578%0.77967%0.673SS**PPolyproline II helixtrans-77.6118.2-18030.9-29.7000109.3
621N31.2Very low29.6Very low144 Ų144120.3 Ų120.377%0.7768%0.681SS**  trans-9690.2165-72.9-3.2000107.5S619S619-N621 PolarHBondContact O-N 2.52Å
622N30.7Very low29.3Very low112 Ų112125.7 Ų125.760%0.59971%0.706SS**  trans-80.9129.9153.4-86.1-21.1000107.4D624N622-D624 PolarHBondContact O-N 2.91Å
623L30.5Very low28.9Very low156 Ų156130.2 Ų130.282%0.81773%0.725SS**  trans-58.7120.9167.5-75.291.4000108.6
624D28.3Very low28.9Very low165 Ų165131.4 Ų131.488%0.88274%0.743SS**  trans-138.6104.8142.7-86.5-35.2000107N622 S626N622-D624 PolarHBondContact O-N 2.91Å; D624-S626 PolarHBondContact O-N 3.3Å
625E28.5Very low28.8Very low191 Ų191132.1 Ų132.189%0.89374%0.736SS**  trans-71.8100.7172.4-177.5172.2-174.400108.2
626S26.2Very low29.3Very low102 Ų102135.2 Ų135.271%0.71375%0.749SS**  trans149.391.1156.9179.40000109.6D624D624-S626 PolarHBondContact O-N 3.3Å
627T26.7Very low30Very low134 Ų134136.4 Ų136.482%0.82275%0.749SS**SBendtrans166.9116.8143.930.40000110.4
628V25.9Very low31.2Very low125 Ų125136.1 Ų136.176%0.75875%0.747SS**  trans24.8115.6155.3-168.40000117.5R630V628-R630 PolarHBondContact O-N 3.37Å
629P26.7Very low32.2Very low130 Ų130133.4 Ų133.484%0.84473%0.728SS**  trans-72.8108.8-178.730.9-31.4000110.9
630R22.3Very low33.1Very low228 Ų228134.9 Ų134.986%0.8672%0.723SS**  trans-76.9149.3160.6-77-177.5-179171.31.5109.6V628 I632V628-R630 PolarHBondContact O-N 3.37Å; R630-I632 PolarHBondContact O-N 3.45Å
631P26.7Very low33.9Very low125 Ų125135.9 Ų135.981%0.81271%0.711SS**  trans-65.7132.1-172.327.4-33.6000111.3Q633P631-Q633 PolarHBondContact O-N 2.82Å; P631-Q633 VanDerWaalsContact O-N 3.15Å
632I27.8Very low34.6Very low168 Ų168130.2 Ų130.286%0.86268%0.68SS**  trans-54.6112.9178.5-62.3163000109.5R630 A634R630-I632 PolarHBondContact O-N 3.45Å; I632-A634 PolarHBondContact O-N 2.9Å; I632-A634 VanDerWaalsContact O-N 3.15Å
633Q25.4Very low35.5Very low189 Ų189126.3 Ų126.388%0.88366%0.658SS**  trans-62.8113170-91.2178.8-40.200109.5P631 K635P631-Q633 PolarHBondContact O-N 2.82Å; P631-Q633 VanDerWaalsContact O-N 3.15Å; Q633-K635 PolarHBondContact O-N 2.82Å
634A32.9Very low36.5Very low83 Ų83120.4 Ų120.469%0.68663%0.627SS**  trans-59.3117.2175.100000110.6I632 K636I632-A634 PolarHBondContact O-N 2.9Å; I632-A634 VanDerWaalsContact O-N 3.15Å; A634-K636 PolarHBondContact O-N 2.84Å
635K32.5Very low37.3Very low117 Ų117113.2 Ų113.251%0.50959%0.589SS.*  trans-49.8120.7171.1-171.4178.6179.8-171.90110.3S617 Q633 Q637S617-K635 PolarHBondContact O-NZ 3.45Å; S617-K635 WeakPolarHBondContact OG-CE 3.45Å; S617-K635 PolarHBondContact OG-NZ 3.42Å; Q633-K635 PolarHBondContact O-N 2.82Å; K635-Q637 PolarHBondContact O-N 3.21Å
636K39.6Very low38Very low206 Ų206108.6 Ų108.690%0.89656%0.564SS**  trans-48.4103178-93.4178.7174.8175.20110.4A634A634-K636 PolarHBondContact O-N 2.84Å
637Q44.9Very low38.9Very low72 Ų72104.5 Ų104.534%0.33654%0.536SS..  trans-74.5145.6164.3-78.6178-17.800108.9K635 Q642K635-Q637 PolarHBondContact O-N 3.21Å; Q637-Q642 HydrophobicContact CB-CG 3.9Å; Q637-Q642 PolarHBondContact O-NE2 2.77Å
638S54.9Low39.7Very low71 Ų71100.3 Ų100.350%0.49751%0.506SS..  trans-60.2146.4174.562.20000110.4F640 R641 Q642S638-F640 PolarHBondContact O-N 2.76Å; S638-R641 WeakPolarHBondContact O-CA 3.37Å; S638-R641 WeakPolarHBondContact O-CB 3.16Å; S638-R641 PolarHBondContact O-N 3.22Å; S638-R641 WeakPolarHBondContact OG-CB 3.33Å; S638-R641 PolarHBondContact OG-N 2.98Å; S638-Q642 PolarHBondContact O-N 2.98Å
639V53Low40.3Very low67 Ų6795.4 Ų95.441%0.40648%0.482SS..Hα-helixtrans-54-38.2179.6178.10000111Q642 F643 V662V639-Q642 PolarHBondContact O-N 2.95Å; V639-F643 WeakPolarHBondContact O-CB 3.46Å; V639-F643 PolarHBondContact O-N 3.43Å; V639-V662 HydrophobicContact CG1-CG2 4.4Å
640F49.6Very low40.7Very low128 Ų12892.2 Ų92.256%0.56145%0.453SS*.Hα-helixtrans-62.1-41.8175-175.2-107000112.8S638 Q642 F643 I644S638-F640 PolarHBondContact O-N 2.76Å; F640-Q642 VanDerWaalsContact C-N 3.34Å; F640-F643 PolarHBondContact O-N 2.95Å; F640-I644 HydrophobicContact CD1-CD1 3.79Å; F640-I644 HydrophobicContact CE1-CD1 3.2Å; F640-I644 HydrophobicContact CE1-CG1 4.25Å; F640-I644 HydrophobicContact CE2-CD1 4.1Å; F640-I644 HydrophobicContact CG-CD1 4.47Å; F640-I644 HydrophobicContact CZ-CD1 3.39Å; F640-I644 HydrophobicContact CZ-CG1 4.24Å; F640-I644 WeakPolarHBondContact O-CB 3.42Å; F640-I644 WeakPolarHBondContact O-CG1 3.35Å; F640-I644 PolarHBondContact O-N 3.31Å
641R48.4Very low41.2Very low140 Ų14084.1 Ų84.153%0.52843%0.432SS..Hα-helixtrans-67.9-37.1177.6-160.6175.6-134-108.11.7111.1S638 S645S638-R641 WeakPolarHBondContact O-CA 3.37Å; S638-R641 WeakPolarHBondContact O-CB 3.16Å; S638-R641 PolarHBondContact O-N 3.22Å; S638-R641 WeakPolarHBondContact OG-CB 3.33Å; S638-R641 PolarHBondContact OG-N 2.98Å; R641-S645 WeakPolarHBondContact O-CB 3.46Å; R641-S645 PolarHBondContact O-N 2.78Å; R641-S645 PolarHBondContact O-OG 3.49Å
642Q45Very low41.6Very low25 Ų2583.4 Ų83.412%0.11743%0.429CS..Hα-helixtrans-69.3-36173.9-67.9167.1-18.500112.4Q637 S638 V639 F640 S645 R646 S656 L659Q637-Q642 HydrophobicContact CB-CG 3.9Å; Q637-Q642 PolarHBondContact O-NE2 2.77Å; S638-Q642 PolarHBondContact O-N 2.98Å; V639-Q642 PolarHBondContact O-N 2.95Å; F640-Q642 VanDerWaalsContact C-N 3.34Å; Q642-S645 WeakPolarHBondContact CA-OG 3.45Å; Q642-S645 PolarHBondContact O-N 3.04Å; Q642-S645 PolarHBondContact O-OG 2.91Å; Q642-S645 VanDerWaalsContact O-OG 3.07Å; Q642-R646 WeakPolarHBondContact O-CB 3.19Å; Q642-R646 PolarHBondContact O-N 3.38Å; Q642-S656 PolarHBondContact OE1-OG 3.08Å; Q642-L659 HydrophobicContact CB-CD2 4.25Å; Q642-L659 WeakPolarHBondContact O-CD2 3.49Å
643F49.7Very low41.9Very low30 Ų3078 Ų7813%0.13240%0.404CS..Hα-helixtrans-63.6-51.3173178.9-96.9000111.5L263 L532 V639 F640 S645 R646 A647 L659 V662L263-F643 HydrophobicContact CD2-CZ 4.42Å; L532-F643 HydrophobicContact CD2-CE2 4.06Å; V639-F643 WeakPolarHBondContact O-CB 3.46Å; V639-F643 PolarHBondContact O-N 3.43Å; F640-F643 PolarHBondContact O-N 2.95Å; F643-S645 VanDerWaalsContact C-N 3.28Å; F643-S645 PolarHBondContact O-N 2.91Å; F643-R646 PolarHBondContact O-N 3.45Å; F643-A647 WeakPolarHBondContact O-CA 3.45Å; F643-A647 WeakPolarHBondContact O-CB 3.49Å; F643-A647 PolarHBondContact O-N 3.38Å; F643-L659 HydrophobicContact CB-CD1 3.72Å; F643-L659 HydrophobicContact CD2-CD1 3.71Å; F643-L659 HydrophobicContact CG-CD1 4.2Å; F643-V662 HydrophobicContact CD2-CB 4.28Å; F643-V662 HydrophobicContact CD2-CG1 3.58Å; F643-V662 HydrophobicContact CE2-CG1 3.51Å; F643-V662 HydrophobicContact CZ-CG1 4.43Å
644I50.9Low42.7Very low32 Ų3273.3 Ų73.316%0.16439%0.392CS..Hα-helixtrans-60.3-41.1173.5-74.4-177.6000111M256 F640 R646 A647 F648M256-I644 HydrophobicContact CE-CD1 4.17Å; M256-I644 HydrophobicContact CE-CG1 4.44Å; M256-I644 HydrophobicContact CE-CG2 3.47Å; M256-I644 VanDerWaalsContact CE-CG2 3.47Å; F640-I644 HydrophobicContact CD1-CD1 3.79Å; F640-I644 HydrophobicContact CE1-CD1 3.2Å; F640-I644 HydrophobicContact CE1-CG1 4.25Å; F640-I644 HydrophobicContact CE2-CD1 4.1Å; F640-I644 HydrophobicContact CG-CD1 4.47Å; F640-I644 HydrophobicContact CZ-CD1 3.39Å; F640-I644 HydrophobicContact CZ-CG1 4.24Å; F640-I644 WeakPolarHBondContact O-CB 3.42Å; F640-I644 WeakPolarHBondContact O-CG1 3.35Å; F640-I644 PolarHBondContact O-N 3.31Å; I644-R646 PolarHBondContact O-N 2.9Å; I644-A647 WeakPolarHBondContact O-CB 3.3Å; I644-A647 PolarHBondContact O-N 3.46Å; I644-F648 HydrophobicContact CG2-CD2 3.96Å; I644-F648 HydrophobicContact CG2-CE2 4.38Å; I644-F648 WeakPolarHBondContact O-CD2 3.05Å; I644-F648 PolarHBondContact O-N 3.15Å
645S46.3Very low43.5Very low14 Ų1471.1 Ų71.110%0.09837%0.371CS..Hα-helixtrans-66.5-43.9-17684.80000110.7R641 Q642 F643 G649 Y650R641-S645 WeakPolarHBondContact O-CB 3.46Å; R641-S645 PolarHBondContact O-N 2.78Å; R641-S645 PolarHBondContact O-OG 3.49Å; Q642-S645 WeakPolarHBondContact CA-OG 3.45Å; Q642-S645 PolarHBondContact O-N 3.04Å; Q642-S645 PolarHBondContact O-OG 2.91Å; Q642-S645 VanDerWaalsContact O-OG 3.07Å; F643-S645 VanDerWaalsContact C-N 3.28Å; F643-S645 PolarHBondContact O-N 2.91Å; S645-G649 CarbonylContact O-C 3.31Å; S645-G649 WeakPolarHBondContact O-CA 3.25Å; S645-G649 PolarHBondContact O-N 2.9Å; S645-Y650 CarbonylContact C-O 3.54Å; S645-Y650 VanDerWaalsContact C-O 3.31Å; S645-Y650 WeakPolarHBondContact CB-O 3.45Å; S645-Y650 CarbonylContact O-C 3.57Å; S645-Y650 WeakPolarHBondContact O-CA 3.38Å; S645-Y650 PolarHBondContact O-N 3.37Å; S645-Y650 PolarHBondContact OG-O 2.77Å; S645-Y650 VanDerWaalsContact OG-O 3.14Å
646R43Very low44.6Very low95 Ų9566.9 Ų66.936%0.35836%0.356SS..Hα-helixtrans-71.1-34.9173.6-164.9175.1178.4123.2-4.4112.8N531 Q642 F643 I644 F648 G649 L659N531-R646 PolarHBondContact ND2-O 2.91Å; Q642-R646 WeakPolarHBondContact O-CB 3.19Å; Q642-R646 PolarHBondContact O-N 3.38Å; F643-R646 PolarHBondContact O-N 3.45Å; I644-R646 PolarHBondContact O-N 2.9Å; R646-F648 VanDerWaalsContact C-N 3.28Å; R646-F648 PolarHBondContact O-N 2.92Å; R646-G649 PolarHBondContact O-N 3.2Å; R646-L659 HydrophobicContact CB-CD2 3.77Å; R646-L659 HydrophobicContact CG-CD2 4.3Å
647A45Very low45.4Very low15 Ų1564.7 Ų64.712%0.12434%0.343CS..Hα-helixtrans-58.9-39.5176.700000112.7L528 F643 I644L528-A647 HydrophobicContact CD1-CB 3.11Å; L528-A647 HydrophobicContact CD2-CB 4.16Å; L528-A647 HydrophobicContact CG-CB 4.26Å; F643-A647 WeakPolarHBondContact O-CA 3.45Å; F643-A647 WeakPolarHBondContact O-CB 3.49Å; F643-A647 PolarHBondContact O-N 3.38Å; I644-A647 WeakPolarHBondContact O-CB 3.3Å; I644-A647 PolarHBondContact O-N 3.46Å
648F43.2Very low46.1Very low46 Ų4662.6 Ų62.620%0.20234%0.341CS..Hα-helixtrans-110.29-177.2-66.4-95.4000113.7M256 S542 I644 R646 Y650M256-F648 HydrophobicContact CE-CD2 3.65Å; M256-F648 HydrophobicContact CE-CE1 4.29Å; M256-F648 HydrophobicContact CE-CE2 3.22Å; M256-F648 HydrophobicContact CE-CG 4.35Å; M256-F648 HydrophobicContact CE-CZ 3.59Å; M256-F648 HydrophobicContact SD-CD1 3.95Å; M256-F648 HydrophobicContact SD-CD2 4.02Å; M256-F648 HydrophobicContact SD-CE1 3.45Å; M256-F648 WeakPolarHBondContact SD-CE1 3.39Å; M256-F648 HydrophobicContact SD-CE2 3.54Å; M256-F648 VanDerWaalsContact SD-CE2 3.54Å; M256-F648 HydrophobicContact SD-CG 4.22Å; M256-F648 HydrophobicContact SD-CZ 3.22Å; M256-F648 WeakPolarHBondContact SD-CZ 2.97Å; S542-F648 WeakPolarHBondContact CB-O 3.25Å; I644-F648 HydrophobicContact CG2-CD2 3.96Å; I644-F648 HydrophobicContact CG2-CE2 4.38Å; I644-F648 WeakPolarHBondContact O-CD2 3.05Å; I644-F648 PolarHBondContact O-N 3.15Å; R646-F648 VanDerWaalsContact C-N 3.28Å; R646-F648 PolarHBondContact O-N 2.92Å; F648-Y650 HydrophobicContact CB-CD2 3.51Å; F648-Y650 HydrophobicContact CB-CE2 3.31Å; F648-Y650 HydrophobicContact CG-CE2 4.3Å
649G38.6Very low46.3Very low23 Ų2359.6 Ų59.624%0.23732%0.32CS..THydrogen-bonded Turntrans819.2175.700000116S542 S645 R646 S651S542-G649 PolarHBondContact OG-O 2.86Å; S645-G649 CarbonylContact O-C 3.31Å; S645-G649 WeakPolarHBondContact O-CA 3.25Å; S645-G649 PolarHBondContact O-N 2.9Å; R646-G649 PolarHBondContact O-N 3.2Å; G649-S651 PolarHBondContact O-N 3.48Å
650Y35.1Very low46.8Very low62 Ų6256.5 Ų56.524%0.24330%0.301CS..  trans-74.4107.3172.8-57.3-109.3000109.8L544 S645 F648L544-Y650 HydrophobicContact CB-CD1 4.04Å; L544-Y650 HydrophobicContact CB-CE1 3.19Å; L544-Y650 HydrophobicContact CD1-CE1 3.75Å; L544-Y650 WeakPolarHBondContact CD1-OH 3.46Å; L544-Y650 HydrophobicContact CD2-CE1 4.45Å; L544-Y650 HydrophobicContact CG-CE1 3.95Å; S645-Y650 CarbonylContact C-O 3.54Å; S645-Y650 VanDerWaalsContact C-O 3.31Å; S645-Y650 WeakPolarHBondContact CB-O 3.45Å; S645-Y650 CarbonylContact O-C 3.57Å; S645-Y650 WeakPolarHBondContact O-CA 3.38Å; S645-Y650 PolarHBondContact O-N 3.37Å; S645-Y650 PolarHBondContact OG-O 2.77Å; S645-Y650 VanDerWaalsContact OG-O 3.14Å; F648-Y650 HydrophobicContact CB-CD2 3.51Å; F648-Y650 HydrophobicContact CB-CE2 3.31Å; F648-Y650 HydrophobicContact CG-CE2 4.3Å
651S33.2Very low47.7Very low59 Ų5955 Ų5541%0.41330%0.299SS..  trans78.3126.2162.8-1590000118.6G649 V653G649-S651 PolarHBondContact O-N 3.48Å; S651-V653 PolarHBondContact O-N 3.2Å; S651-V653 WeakPolarHBondContact OG-CG2 3.31Å
652S34.8Very low48.6Very low109 Ų10951 Ų5176%0.76229%0.29SS*.  trans-70.765.8160.452.80000110
653V35Very low49.7Very low54 Ų5450.2 Ų50.233%0.32729%0.286SS..  trans-98.4128.9163.9-169.70000106.8S651S651-V653 PolarHBondContact O-N 3.2Å; S651-V653 WeakPolarHBondContact OG-CG2 3.31Å
654S40.6Very low50.8Low91 Ų9149.9 Ų49.964%0.63629%0.285SS*.  trans-40.2130.1172.223.20000109.7S656S654-S656 PolarHBondContact O-N 2.91Å
655P49.9Very low52.1Low38 Ų3851.6 Ų51.625%0.24730%0.298CS..  trans-54.8120.1-17622-31.2000108.1Y429Y429-P655 HydrophobicContact CE2-CG 3.99Å
656S55.1Low53.4Low28 Ų2852.4 Ų52.420%0.19630%0.299CS..  trans-63.7146.8165.274.80000107.8Q642 S654 G658 L659 G660Q642-S656 PolarHBondContact OE1-OG 3.08Å; S654-S656 PolarHBondContact O-N 2.91Å; S656-G658 PolarHBondContact O-N 3.17Å; S656-G658 VanDerWaalsContact O-N 3.07Å; S656-L659 PolarHBondContact O-N 3.34Å; S656-L659 PolarHBondContact OG-N 2.99Å; S656-G660 PolarHBondContact O-N 2.93Å; S656-G660 VanDerWaalsContact O-N 3.15Å
657Y58.2Low55Low159 Ų15947.9 Ų47.962%0.62428%0.282SS*.Hα-helixtrans-50-34.6173.2-76.5-82.9000112.4M424 G660 L661M424-Y657 HydrophobicContact CB-CE1 4.44Å; M424-Y657 HydrophobicContact CE-CD1 4.1Å; M424-Y657 HydrophobicContact CG-CD1 4.5Å; Y657-G660 PolarHBondContact O-N 2.91Å; Y657-L661 WeakPolarHBondContact O-CB 3.47Å; Y657-L661 PolarHBondContact O-N 3.31Å
658G59Low56.8Low29 Ų2950.9 Ų50.930%0.29930%0.295SS..Hα-helixtrans-64.9-40.9177.900000113.4S656 L661 V662S656-G658 PolarHBondContact O-N 3.17Å; S656-G658 VanDerWaalsContact O-N 3.07Å; G658-L661 PolarHBondContact O-N 2.87Å; G658-V662 WeakPolarHBondContact O-CG2 3.43Å; G658-V662 PolarHBondContact O-N 3.49Å
659L59.1Low58.5Low7 Ų751.1 Ų51.14%0.03730%0.302CS..Hα-helixtrans-69.5-43.2177.2178.657.9000112Q642 F643 R646 S656 L661 V662 I663Q642-L659 HydrophobicContact CB-CD2 4.25Å; Q642-L659 WeakPolarHBondContact O-CD2 3.49Å; F643-L659 HydrophobicContact CB-CD1 3.72Å; F643-L659 HydrophobicContact CD2-CD1 3.71Å; F643-L659 HydrophobicContact CG-CD1 4.2Å; R646-L659 HydrophobicContact CB-CD2 3.77Å; R646-L659 HydrophobicContact CG-CD2 4.3Å; S656-L659 PolarHBondContact O-N 3.34Å; S656-L659 PolarHBondContact OG-N 2.99Å; L659-L661 PolarHBondContact O-N 2.85Å; L659-V662 PolarHBondContact O-N 3.22Å; L659-I663 HydrophobicContact CD1-CD1 4.24Å; L659-I663 HydrophobicContact CD1-CG1 4.4Å; L659-I663 HydrophobicContact CG-CD1 4.1Å; L659-I663 WeakPolarHBondContact O-CG1 3.27Å; L659-I663 PolarHBondContact O-N 3.4Å; L659-I663 VanDerWaalsContact O-N 3.08Å
660G63.2Low60.4Low2 Ų250.4 Ų50.42%0.02129%0.292CS..Hα-helixtrans-55.5-42.1173.400000111.2L420 S656 Y657 V662 I663 L664L420-G660 WeakPolarHBondContact CD2-O 3.23Å; S656-G660 PolarHBondContact O-N 2.93Å; S656-G660 VanDerWaalsContact O-N 3.15Å; Y657-G660 PolarHBondContact O-N 2.91Å; G660-V662 PolarHBondContact O-N 3.04Å; G660-I663 PolarHBondContact O-N 2.84Å; G660-L664 VanDerWaalsContact O-CB 3.25Å; G660-L664 WeakPolarHBondContact O-CB 3.44Å; G660-L664 PolarHBondContact O-N 2.75Å
661L68.4Low62.4Low98 Ų9849.2 Ų49.251%0.51329%0.29SS..Hα-helixtrans-65.3-36.8178.6-163.1135.4000113.3Y657 G658 L659 T665Y657-L661 WeakPolarHBondContact O-CB 3.47Å; Y657-L661 PolarHBondContact O-N 3.31Å; G658-L661 PolarHBondContact O-N 2.87Å; L659-L661 PolarHBondContact O-N 2.85Å; L661-T665 WeakPolarHBondContact O-CB 3.32Å; L661-T665 PolarHBondContact O-N 2.65Å; L661-T665 PolarHBondContact O-OG1 2.91Å
662V66.9Low64.6Low55 Ų5550.4 Ų50.433%0.33330%0.295SS..Hα-helixtrans-65.6-45.5174.7175.80000111.1V639 F643 G658 L659 G660 L664 T665 Y666V639-V662 HydrophobicContact CG1-CG2 4.4Å; F643-V662 HydrophobicContact CD2-CB 4.28Å; F643-V662 HydrophobicContact CD2-CG1 3.58Å; F643-V662 HydrophobicContact CE2-CG1 3.51Å; F643-V662 HydrophobicContact CZ-CG1 4.43Å; G658-V662 WeakPolarHBondContact O-CG2 3.43Å; G658-V662 PolarHBondContact O-N 3.49Å; L659-V662 PolarHBondContact O-N 3.22Å; G660-V662 PolarHBondContact O-N 3.04Å; V662-L664 VanDerWaalsContact C-N 3.35Å; V662-T665 PolarHBondContact O-N 3.42Å; V662-Y666 WeakPolarHBondContact O-CB 3.42Å; V662-Y666 PolarHBondContact O-N 2.92Å
663I67.4Low66.5Low9 Ų946.9 Ų46.95%0.04627%0.27CS..Hα-helixtrans-64.1-43177.9-62.6171.2000110.4L420 L532 L659 G660 T665 Y666 N667L420-I663 HydrophobicContact CD2-CB 4.12Å; L420-I663 HydrophobicContact CD2-CG2 3.99Å; L532-I663 HydrophobicContact CD2-CG1 3.83Å; L659-I663 HydrophobicContact CD1-CD1 4.24Å; L659-I663 HydrophobicContact CD1-CG1 4.4Å; L659-I663 HydrophobicContact CG-CD1 4.1Å; L659-I663 WeakPolarHBondContact O-CG1 3.27Å; L659-I663 PolarHBondContact O-N 3.4Å; L659-I663 VanDerWaalsContact O-N 3.08Å; G660-I663 PolarHBondContact O-N 2.84Å; I663-T665 PolarHBondContact O-N 3.31Å; I663-Y666 WeakPolarHBondContact O-CB 3.26Å; I663-Y666 PolarHBondContact O-N 3.44Å; I663-N667 WeakPolarHBondContact CG2-ND2 3.41Å; I663-N667 PolarHBondContact O-N 3.4Å; I663-N667 PolarHBondContact O-ND2 3.39Å
664L74.5Confident68.3Low22 Ų2244.4 Ų44.412%0.11526%0.255CS..Hα-helixtrans-59.6-47.6176-176.768.9000110.9I417 L420 L421 G660 V662 Y666 N667 I668I417-L664 HydrophobicContact CB-CD1 4.42Å; I417-L664 HydrophobicContact CG1-CD1 4.36Å; I417-L664 HydrophobicContact CG2-CD1 3.71Å; L420-L664 HydrophobicContact CD2-CB 3.9Å; L420-L664 HydrophobicContact CD2-CD1 4.45Å; L421-L664 HydrophobicContact CD1-CD1 4.44Å; L421-L664 HydrophobicContact CD2-CD1 4.12Å; L421-L664 HydrophobicContact CD2-CD2 3.89Å; L421-L664 HydrophobicContact CG-CD1 4.04Å; G660-L664 VanDerWaalsContact O-CB 3.25Å; G660-L664 WeakPolarHBondContact O-CB 3.44Å; G660-L664 PolarHBondContact O-N 2.75Å; V662-L664 VanDerWaalsContact C-N 3.35Å; L664-Y666 VanDerWaalsContact C-N 3.34Å; L664-Y666 PolarHBondContact O-N 3.2Å; L664-N667 PolarHBondContact O-N 3.15Å; L664-I668 HydrophobicContact CD1-CD1 4.01Å; L664-I668 HydrophobicContact CD1-CG1 4.43Å; L664-I668 HydrophobicContact CD2-CD1 4.36Å; L664-I668 HydrophobicContact CG-CD1 3.74Å; L664-I668 HydrophobicContact CG-CG1 4.46Å; L664-I668 WeakPolarHBondContact O-CB 3.38Å; L664-I668 VanDerWaalsContact O-CG1 3.26Å; L664-I668 WeakPolarHBondContact O-CG1 3Å; L664-I668 PolarHBondContact O-N 3.43Å
665T77.3Confident69.8Low69 Ų6945.1 Ų45.142%0.42325%0.25SC..Hα-helixtrans-60-45.2178.2-55.60000110.9L661 V662 I663 N667 I668 C669L661-T665 WeakPolarHBondContact O-CB 3.32Å; L661-T665 PolarHBondContact O-N 2.65Å; L661-T665 PolarHBondContact O-OG1 2.91Å; V662-T665 PolarHBondContact O-N 3.42Å; I663-T665 PolarHBondContact O-N 3.31Å; T665-N667 PolarHBondContact O-N 3.31Å; T665-I668 PolarHBondContact O-N 2.78Å; T665-C669 VanDerWaalsContact O-CB 3.32Å; T665-C669 WeakPolarHBondContact O-CB 3.36Å; T665-C669 PolarHBondContact O-N 3.12Å; T665-C669 PolarHBondContact O-SG 3.41Å
666Y74.3Confident70.8Confident30 Ų3050.2 Ų50.212%0.11826%0.264CS..Hα-helixtrans-57-49.4176.9179.1-93.3000112.2F267 L532 L533 V662 I663 L664 C669 F670F267-Y666 HydrophobicContact CB-CE2 4.43Å; F267-Y666 HydrophobicContact CD2-CD2 4.16Å; F267-Y666 AromaticContact CD2-CE2 3.64Å; F267-Y666 HydrophobicContact CD2-CE2 3.64Å; F267-Y666 HydrophobicContact CE2-CE2 4.4Å; F267-Y666 HydrophobicContact CG-CE2 4.39Å; L532-Y666 HydrophobicContact CB-CD1 3.99Å; L532-Y666 HydrophobicContact CB-CE1 3.93Å; L533-Y666 HydrophobicContact CD2-CE1 3.84Å; L533-Y666 HydrophobicContact CG-CE1 4.12Å; V662-Y666 WeakPolarHBondContact O-CB 3.42Å; V662-Y666 PolarHBondContact O-N 2.92Å; I663-Y666 WeakPolarHBondContact O-CB 3.26Å; I663-Y666 PolarHBondContact O-N 3.44Å; L664-Y666 VanDerWaalsContact C-N 3.34Å; L664-Y666 PolarHBondContact O-N 3.2Å; Y666-C669 PolarHBondContact O-N 3.2Å; Y666-F670 WeakPolarHBondContact O-CB 3.49Å; Y666-F670 PolarHBondContact O-N 2.89Å
667N76.9Confident71.4Confident0 Ų050.1 Ų50.10%026%0.261CS..Hα-helixtrans-68.1-39.1-178.7-75.8-66.3000112.6V413 I417 L532 I663 L664 T665 F670 L671V413-N667 HydrophobicContact CG1-CB 3.83Å; V413-N667 WeakPolarHBondContact CG1-OD1 3.34Å; I417-N667 HydrophobicContact CD1-CB 3.8Å; I417-N667 HydrophobicContact CG1-CB 3.64Å; L532-N667 PolarHBondContact O-ND2 2.9Å; L532-N667 PolarHBondContact O-OD1 3.07Å; I663-N667 WeakPolarHBondContact CG2-ND2 3.41Å; I663-N667 PolarHBondContact O-N 3.4Å; I663-N667 PolarHBondContact O-ND2 3.39Å; L664-N667 PolarHBondContact O-N 3.15Å; T665-N667 PolarHBondContact O-N 3.31Å; N667-F670 PolarHBondContact O-N 3.49Å; N667-L671 WeakPolarHBondContact O-CB 3.28Å; N667-L671 PolarHBondContact O-N 2.94Å
668I81.8Confident71.7Confident78 Ų7844 Ų4440%0.424%0.243SC..Hα-helixtrans-64.3-47.5174.4-68.8170.8000110.5I417 L664 T665 F670 L671 V672I417-I668 HydrophobicContact CD1-CG1 4.31Å; L664-I668 HydrophobicContact CD1-CD1 4.01Å; L664-I668 HydrophobicContact CD1-CG1 4.43Å; L664-I668 HydrophobicContact CD2-CD1 4.36Å; L664-I668 HydrophobicContact CG-CD1 3.74Å; L664-I668 HydrophobicContact CG-CG1 4.46Å; L664-I668 WeakPolarHBondContact O-CB 3.38Å; L664-I668 VanDerWaalsContact O-CG1 3.26Å; L664-I668 WeakPolarHBondContact O-CG1 3Å; L664-I668 PolarHBondContact O-N 3.43Å; T665-I668 PolarHBondContact O-N 2.78Å; I668-F670 VanDerWaalsContact C-N 3.27Å; I668-F670 PolarHBondContact O-N 3.15Å; I668-L671 PolarHBondContact O-N 2.9Å; I668-V672 HydrophobicContact CG2-CG2 4.12Å; I668-V672 WeakPolarHBondContact O-CB 3.41Å; I668-V672 VanDerWaalsContact O-CG2 3.29Å; I668-V672 WeakPolarHBondContact O-CG2 3.26Å; I668-V672 PolarHBondContact O-N 2.55Å
669C79.8Confident71.9Confident52 Ų5244.8 Ų44.835%0.35125%0.251SS..Hα-helixtrans-61-38.2178.7-71.80000111.9F267 T665 Y666 S673F267-C669 HydrophobicContact CE2-CB 4.1Å; F267-C669 HydrophobicContact CZ-CB 3.82Å; T665-C669 VanDerWaalsContact O-CB 3.32Å; T665-C669 WeakPolarHBondContact O-CB 3.36Å; T665-C669 PolarHBondContact O-N 3.12Å; T665-C669 PolarHBondContact O-SG 3.41Å; Y666-C669 PolarHBondContact O-N 3.2Å; C669-S673 VanDerWaalsContact O-CB 3.26Å; C669-S673 WeakPolarHBondContact O-CB 3.44Å; C669-S673 PolarHBondContact O-N 3.18Å; C669-S673 PolarHBondContact O-OG 2.98Å
670F76.9Confident72.2Confident8 Ų852.4 Ų52.44%0.03528%0.28CS..Hα-helixtrans-61-51.7174179.3-98.2000111.4L409 V413 L533 Y666 N667 I668 V672 S673 S674L409-F670 HydrophobicContact CD2-CE1 4.24Å; L409-F670 HydrophobicContact CD2-CZ 3.84Å; L409-F670 HydrophobicContact CG-CE1 4.41Å; L409-F670 HydrophobicContact CG-CZ 4.48Å; V413-F670 HydrophobicContact CG1-CD1 4.48Å; V413-F670 HydrophobicContact CG2-CD1 4.32Å; V413-F670 HydrophobicContact CG2-CE1 4.36Å; L533-F670 HydrophobicContact CD2-CD1 4.21Å; L533-F670 HydrophobicContact CD2-CE1 4.48Å; L533-F670 HydrophobicContact CD2-CG 4.26Å; Y666-F670 WeakPolarHBondContact O-CB 3.49Å; Y666-F670 PolarHBondContact O-N 2.89Å; N667-F670 PolarHBondContact O-N 3.49Å; I668-F670 VanDerWaalsContact C-N 3.27Å; I668-F670 PolarHBondContact O-N 3.15Å; F670-V672 PolarHBondContact O-N 3.41Å; F670-S673 PolarHBondContact O-N 3.03Å; F670-S674 VanDerWaalsContact O-CB 3.31Å; F670-S674 WeakPolarHBondContact O-CB 3.43Å; F670-S674 PolarHBondContact O-N 2.77Å; F670-S674 PolarHBondContact O-OG 3.31Å
671L78Confident72.1Confident36 Ų3659.5 Ų59.519%0.18831%0.306CS..Hα-helixtrans-63.8-42.1-178.8-167.9153000112.1F414 I417 N667 I668 S674 M675F414-L671 HydrophobicContact CD2-CD1 4.41Å; I417-L671 HydrophobicContact CD1-CD1 4.47Å; N667-L671 WeakPolarHBondContact O-CB 3.28Å; N667-L671 PolarHBondContact O-N 2.94Å; I668-L671 PolarHBondContact O-N 2.9Å; L671-S674 PolarHBondContact O-N 2.91Å; L671-S674 PolarHBondContact O-OG 2.98Å; L671-M675 HydrophobicContact CD2-CG 4.17Å; L671-M675 HydrophobicContact CD2-SD 3.39Å; L671-M675 WeakPolarHBondContact CD2-SD 3.38Å; L671-M675 HydrophobicContact CG-SD 4.38Å; L671-M675 VanDerWaalsContact O-CB 3.32Å; L671-M675 WeakPolarHBondContact O-CB 3.4Å; L671-M675 VanDerWaalsContact O-CG 3.23Å; L671-M675 WeakPolarHBondContact O-CG 3.32Å; L671-M675 PolarHBondContact O-N 3.4Å
672V79.4Confident71.5Confident85 Ų8557.6 Ų57.652%0.51530%0.296SS..Hα-helixtrans-65-43.6176.4172.90000111I668 F670 W676I668-V672 HydrophobicContact CG2-CG2 4.12Å; I668-V672 WeakPolarHBondContact O-CB 3.41Å; I668-V672 VanDerWaalsContact O-CG2 3.29Å; I668-V672 WeakPolarHBondContact O-CG2 3.26Å; I668-V672 PolarHBondContact O-N 2.55Å; F670-V672 PolarHBondContact O-N 3.41Å; V672-W676 WeakPolarHBondContact O-CB 3.29Å; V672-W676 PolarHBondContact O-N 3.47Å
673S73.8Confident70.8Confident35 Ų3563.5 Ų63.525%0.24531%0.312CS..Hα-helixtrans-65.1-43.7179.3-59.80000111.3C669 F670 W676 I677C669-S673 VanDerWaalsContact O-CB 3.26Å; C669-S673 WeakPolarHBondContact O-CB 3.44Å; C669-S673 PolarHBondContact O-N 3.18Å; C669-S673 PolarHBondContact O-OG 2.98Å; F670-S673 PolarHBondContact O-N 3.03Å; S673-W676 PolarHBondContact O-N 2.93Å; S673-I677 VanDerWaalsContact O-CB 3.26Å; S673-I677 WeakPolarHBondContact O-CB 3.49Å; S673-I677 WeakPolarHBondContact O-CD1 3.34Å; S673-I677 WeakPolarHBondContact O-CG1 3.37Å; S673-I677 PolarHBondContact O-N 3.38Å
674S72.8Confident70.2Confident2 Ų268.7 Ų68.71%0.01434%0.34CS..Hα-helixtrans-64.2-45.1180810000111.2E410 F670 L671 A678E410-S674 PolarHBondContact OE1-OG 3.21Å; F670-S674 VanDerWaalsContact O-CB 3.31Å; F670-S674 WeakPolarHBondContact O-CB 3.43Å; F670-S674 PolarHBondContact O-N 2.77Å; F670-S674 PolarHBondContact O-OG 3.31Å; L671-S674 PolarHBondContact O-N 2.91Å; L671-S674 PolarHBondContact O-OG 2.98Å; S674-A678 WeakPolarHBondContact O-CB 3.44Å; S674-A678 PolarHBondContact O-N 3.36Å
675M72.8Confident69.2Low106 Ų10668.3 Ų68.352%0.52234%0.34SS..Hα-helixtrans-68.8-39.8175.8-70.6-173.878.500113.2L671 A678 G679L671-M675 HydrophobicContact CD2-CG 4.17Å; L671-M675 HydrophobicContact CD2-SD 3.39Å; L671-M675 WeakPolarHBondContact CD2-SD 3.38Å; L671-M675 HydrophobicContact CG-SD 4.38Å; L671-M675 VanDerWaalsContact O-CB 3.32Å; L671-M675 WeakPolarHBondContact O-CB 3.4Å; L671-M675 VanDerWaalsContact O-CG 3.23Å; L671-M675 WeakPolarHBondContact O-CG 3.32Å; L671-M675 PolarHBondContact O-N 3.4Å; M675-A678 PolarHBondContact O-N 3.5Å; M675-G679 PolarHBondContact O-N 3.46Å
676W72.3Confident68Low145 Ų14568.4 Ų68.455%0.54934%0.341SS..Hα-helixtrans-65.6-43.5179.8-178.374000111.5V672 S673 G679 R680V672-W676 WeakPolarHBondContact O-CB 3.29Å; V672-W676 PolarHBondContact O-N 3.47Å; S673-W676 PolarHBondContact O-N 2.93Å; W676-G679 PolarHBondContact O-N 2.96Å; W676-R680 PolarHBondContact O-N 2.92Å
677I67.6Low67Low25 Ų2572.2 Ų72.213%0.12836%0.362CS..Hα-helixtrans-68.8-43.4178.2-71.1166.8000110.5P271 L275 S673 R681P271-I677 HydrophobicContact CB-CD1 3.6Å; P271-I677 HydrophobicContact CG-CD1 4.48Å; L275-I677 HydrophobicContact CB-CG2 3.62Å; L275-I677 HydrophobicContact CD1-CG2 3.7Å; L275-I677 HydrophobicContact CD2-CG2 3.8Å; L275-I677 HydrophobicContact CG-CG2 3.87Å; S673-I677 VanDerWaalsContact O-CB 3.26Å; S673-I677 WeakPolarHBondContact O-CB 3.49Å; S673-I677 WeakPolarHBondContact O-CD1 3.34Å; S673-I677 WeakPolarHBondContact O-CG1 3.37Å; S673-I677 PolarHBondContact O-N 3.38Å; I677-R681 WeakPolarHBondContact O-CB 3.28Å; I677-R681 PolarHBondContact O-N 2.86Å
678A64.2Low66Low31 Ų3174.6 Ų74.626%0.25638%0.379SS..Hα-helixtrans-61-47.417400000111.2S674 M675 L682S674-A678 WeakPolarHBondContact O-CB 3.44Å; S674-A678 PolarHBondContact O-N 3.36Å; M675-A678 PolarHBondContact O-N 3.5Å; A678-L682 HydrophobicContact CB-CD1 4.05Å; A678-L682 WeakPolarHBondContact O-CB 3.48Å; A678-L682 VanDerWaalsContact O-CD1 3.26Å; A678-L682 WeakPolarHBondContact O-CD1 3.39Å; A678-L682 PolarHBondContact O-N 2.91Å
679G61.8Low64.7Low45 Ų4573.3 Ų73.346%0.46437%0.372SS..Hα-helixtrans-67.6-44.5-174.200000114.6M675 W676 R683M675-G679 PolarHBondContact O-N 3.46Å; W676-G679 PolarHBondContact O-N 2.96Å; G679-R683 VanDerWaalsContact O-CB 3.24Å; G679-R683 WeakPolarHBondContact O-CB 3.38Å
680R65.6Low63.5Low168 Ų16873.7 Ų73.763%0.63438%0.376SS*.Hα-helixtrans-78.5-47.7-179.1-79-163.8-179.6-179.22.8112.8W676W676-R680 PolarHBondContact O-N 2.92Å
681R61.5Low62.6Low150 Ų15078.9 Ų78.957%0.56640%0.403SS*.Hα-helixtrans-79.8-35.1-172.8-68.5-93.8-172.8173.5-1.9112.7L275 I677 A685L275-R681 HydrophobicContact CD1-CB 3.47Å; L275-R681 VanDerWaalsContact CD1-CB 3.47Å; L275-R681 HydrophobicContact CD1-CG 3.69Å; L275-R681 HydrophobicContact CD2-CG 4.1Å; I677-R681 WeakPolarHBondContact O-CB 3.28Å; I677-R681 PolarHBondContact O-N 2.86Å; R681-A685 PolarHBondContact O-N 3.07Å
682L56.8Low61.6Low58 Ų5880.4 Ų80.430%0.30441%0.412SS..Hα-helixtrans-73.7-29.5174.3-78.696.3000112.1V278 A678 D684 A685 T686V278-L682 HydrophobicContact CG1-CD1 4.37Å; V278-L682 HydrophobicContact CG1-CD2 4.29Å; V278-L682 HydrophobicContact CG1-CG 4.35Å; A678-L682 HydrophobicContact CB-CD1 4.05Å; A678-L682 WeakPolarHBondContact O-CB 3.48Å; A678-L682 VanDerWaalsContact O-CD1 3.26Å; A678-L682 WeakPolarHBondContact O-CD1 3.39Å; A678-L682 PolarHBondContact O-N 2.91Å; L682-D684 VanDerWaalsContact C-N 3.3Å; L682-D684 PolarHBondContact O-N 3.23Å; L682-A685 PolarHBondContact O-N 2.74Å; L682-T686 HydrophobicContact CB-CG2 4.35Å; L682-T686 WeakPolarHBondContact O-CB 3.41Å; L682-T686 VanDerWaalsContact O-CG2 3.23Å; L682-T686 WeakPolarHBondContact O-CG2 3.15Å; L682-T686 PolarHBondContact O-N 2.87Å; L682-T686 PolarHBondContact O-OG1 3.07Å
683R52.2Low60.5Low179 Ų17979.6 Ų79.668%0.67541%0.406SS*.Hα-helixtrans-61.6-40.4180-168178.1-160.5-154.44.6112.2G679 T686 L687G679-R683 VanDerWaalsContact O-CB 3.24Å; G679-R683 WeakPolarHBondContact O-CB 3.38Å; R683-T686 PolarHBondContact O-OG1 3.07Å; R683-L687 WeakPolarHBondContact O-CB 3.34Å; R683-L687 PolarHBondContact O-N 3.11Å
684D54.1Low59.7Low119 Ų11981.3 Ų81.364%0.63642%0.415SS*.Hα-helixtrans-71.6-38.6177.4-61.3-23000111.2L682 S688L682-D684 VanDerWaalsContact C-N 3.3Å; L682-D684 PolarHBondContact O-N 3.23Å; D684-S688 PolarHBondContact O-N 3.04Å
685A53.8Low58.9Low14 Ų1484 Ų8412%0.11643%0.432CS..Hα-helixtrans-72.1-39.3177.700000113.2I282 R681 L682 S688 I689I282-A685 HydrophobicContact CD1-CB 4.31Å; R681-A685 PolarHBondContact O-N 3.07Å; L682-A685 PolarHBondContact O-N 2.74Å; A685-S688 PolarHBondContact O-N 3Å; A685-S688 PolarHBondContact O-OG 3.39Å; A685-I689 WeakPolarHBondContact O-CB 3.47Å; A685-I689 VanDerWaalsContact O-CD1 3.3Å; A685-I689 WeakPolarHBondContact O-CD1 3.23Å; A685-I689 WeakPolarHBondContact O-CG1 2.93Å; A685-I689 PolarHBondContact O-N 3.36Å
686T52.5Low58.1Low71 Ų7180.6 Ų80.644%0.43642%0.417SS..Hα-helixtrans-70.4-33.5179.654.30000111.8L682 R683 S690L682-T686 HydrophobicContact CB-CG2 4.35Å; L682-T686 WeakPolarHBondContact O-CB 3.41Å; L682-T686 VanDerWaalsContact O-CG2 3.23Å; L682-T686 WeakPolarHBondContact O-CG2 3.15Å; L682-T686 PolarHBondContact O-N 2.87Å; L682-T686 PolarHBondContact O-OG1 3.07Å; R683-T686 PolarHBondContact O-OG1 3.07Å; T686-S690 WeakPolarHBondContact O-CB 3.34Å; T686-S690 PolarHBondContact O-N 3.49Å
687L52.1Low57.3Low110 Ų11078.7 Ų78.758%0.57642%0.416SS*.Hα-helixtrans-61.8-46.7170.2-91.2159.4000111.2R683 S690 L691R683-L687 WeakPolarHBondContact O-CB 3.34Å; R683-L687 PolarHBondContact O-N 3.11Å; L687-S690 PolarHBondContact O-N 3.36Å; L687-S690 PolarHBondContact O-OG 2.92Å; L687-L691 PolarHBondContact O-N 3.44Å; L687-L691 VanDerWaalsContact O-N 3.16Å
688S55.7Low56.4Low50 Ų5085.3 Ų85.335%0.3544%0.44SS..Hα-helixtrans-65.4-43.6177.798.60000112D684 A685 S690 L691 D692D684-S688 PolarHBondContact O-N 3.04Å; A685-S688 PolarHBondContact O-N 3Å; A685-S688 PolarHBondContact O-OG 3.39Å; S688-S690 VanDerWaalsContact C-N 3.34Å; S688-S690 PolarHBondContact O-N 3.22Å; S688-L691 PolarHBondContact O-N 3.02Å; S688-D692 PolarHBondContact O-N 2.88Å
689I54.7Low55.8Low50 Ų5086.7 Ų86.726%0.25645%0.447SS..Hα-helixtrans-62-42.3177.4-66.7159.8000110.7I282 A685 L691 D692 V693I282-I689 HydrophobicContact CD1-CD1 4.12Å; I282-I689 HydrophobicContact CG1-CD1 4.11Å; I282-I689 HydrophobicContact CG2-CD1 3.7Å; I282-I689 HydrophobicContact CG2-CG1 4.12Å; A685-I689 WeakPolarHBondContact O-CB 3.47Å; A685-I689 VanDerWaalsContact O-CD1 3.3Å; A685-I689 WeakPolarHBondContact O-CD1 3.23Å; A685-I689 WeakPolarHBondContact O-CG1 2.93Å; A685-I689 PolarHBondContact O-N 3.36Å; I689-L691 VanDerWaalsContact C-N 3.26Å; I689-L691 PolarHBondContact O-N 2.92Å; I689-D692 PolarHBondContact O-N 3.21Å; I689-V693 HydrophobicContact CG2-CG2 3.9Å; I689-V693 VanDerWaalsContact O-CB 3.23Å; I689-V693 WeakPolarHBondContact O-CB 3.48Å; I689-V693 WeakPolarHBondContact O-CG2 3.49Å; I689-V693 PolarHBondContact O-N 3.11Å
690S56.2Low55.3Low61 Ų6189.1 Ų89.143%0.42745%0.449SS..Hα-helixtrans-62.9-37.8178.583.40000111.2T686 L687 S688 V694T686-S690 WeakPolarHBondContact O-CB 3.34Å; T686-S690 PolarHBondContact O-N 3.49Å; L687-S690 PolarHBondContact O-N 3.36Å; L687-S690 PolarHBondContact O-OG 2.92Å; S688-S690 VanDerWaalsContact C-N 3.34Å; S688-S690 PolarHBondContact O-N 3.22Å; S690-V694 WeakPolarHBondContact O-CB 3.37Å; S690-V694 WeakPolarHBondContact O-CG2 3.48Å; S690-V694 PolarHBondContact O-N 3.41Å
691L57.3Low54.5Low117 Ų11787.2 Ų87.261%0.61345%0.447SS*.Hα-helixtrans-71.4-43.9179.1-157.177.5000111.4L687 S688 I689 T695L687-L691 PolarHBondContact O-N 3.44Å; L687-L691 VanDerWaalsContact O-N 3.16Å; S688-L691 PolarHBondContact O-N 3.02Å; I689-L691 VanDerWaalsContact C-N 3.26Å; I689-L691 PolarHBondContact O-N 2.92Å; L691-T695 WeakPolarHBondContact O-CB 3.47Å; L691-T695 WeakPolarHBondContact O-CG2 3.42Å; L691-T695 PolarHBondContact O-N 2.78Å; L691-T695 PolarHBondContact O-OG1 3.5Å
692D57Low54Low68 Ų6886.1 Ų86.136%0.36445%0.448SS..Hα-helixtrans-69.9-40179.5-73-19.5000112.2S688 I689 T695 T696S688-D692 PolarHBondContact O-N 2.88Å; I689-D692 PolarHBondContact O-N 3.21Å; D692-T695 VanDerWaalsContact CA-OG1 3.29Å; D692-T695 WeakPolarHBondContact CA-OG1 3.34Å; D692-T695 PolarHBondContact O-N 2.87Å; D692-T695 PolarHBondContact O-OG1 3.45Å; D692-T696 VanDerWaalsContact O-CB 3.28Å; D692-T696 WeakPolarHBondContact O-CB 3.2Å; D692-T696 PolarHBondContact O-N 3.26Å; D692-T696 PolarHBondContact O-OG1 3.32Å
693V55.5Low53.4Low67 Ų6786 Ų8641%0.40645%0.447SS..Hα-helixtrans-68.2-43.5175.2172.20000110.6I689 T695 T696 I697I689-V693 HydrophobicContact CG2-CG2 3.9Å; I689-V693 VanDerWaalsContact O-CB 3.23Å; I689-V693 WeakPolarHBondContact O-CB 3.48Å; I689-V693 WeakPolarHBondContact O-CG2 3.49Å; I689-V693 PolarHBondContact O-N 3.11Å; V693-T695 PolarHBondContact O-N 2.81Å; V693-T696 PolarHBondContact O-N 3.11Å; V693-I697 HydrophobicContact CG1-CD1 3.58Å; V693-I697 HydrophobicContact CG1-CG1 4.21Å; V693-I697 WeakPolarHBondContact O-CB 3.47Å; V693-I697 VanDerWaalsContact O-CG1 3.23Å; V693-I697 WeakPolarHBondContact O-CG1 3.37Å; V693-I697 PolarHBondContact O-N 2.98Å
694V56.9Low53Low71 Ų7182.8 Ų82.843%0.4344%0.444SS..Hα-helixtrans-63-41.8176.5168.40000111.1S690 R698S690-V694 WeakPolarHBondContact O-CB 3.37Å; S690-V694 WeakPolarHBondContact O-CG2 3.48Å; S690-V694 PolarHBondContact O-N 3.41Å; V694-R698 WeakPolarHBondContact O-CB 3.47Å; V694-R698 PolarHBondContact O-N 3.38Å
695T56.6Low52.6Low60 Ų6082.5 Ų82.537%0.36844%0.441SS..Hα-helixtrans-68.1-38.117751.50000112.2L691 D692 V693 R698 C699L691-T695 WeakPolarHBondContact O-CB 3.47Å; L691-T695 WeakPolarHBondContact O-CG2 3.42Å; L691-T695 PolarHBondContact O-N 2.78Å; L691-T695 PolarHBondContact O-OG1 3.5Å; D692-T695 VanDerWaalsContact CA-OG1 3.29Å; D692-T695 WeakPolarHBondContact CA-OG1 3.34Å; D692-T695 PolarHBondContact O-N 2.87Å; D692-T695 PolarHBondContact O-OG1 3.45Å; V693-T695 PolarHBondContact O-N 2.81Å; T695-R698 PolarHBondContact O-N 2.97Å; T695-C699 WeakPolarHBondContact O-CB 3.42Å; T695-C699 PolarHBondContact O-N 3.47Å; T695-C699 PolarHBondContact O-SG 3.05Å
696T55.8Low52.1Low34 Ų3486.1 Ų86.121%0.20946%0.462CS..Hα-helixtrans-68.8-43.7176.8-53.10000112L289 D692 V693 R698 C699 L700L289-T696 HydrophobicContact CD2-CG2 3.82Å; L289-T696 VanDerWaalsContact CD2-OG1 3.31Å; L289-T696 WeakPolarHBondContact CD2-OG1 3.3Å; L289-T696 HydrophobicContact CG-CG2 4.5Å; D692-T696 VanDerWaalsContact O-CB 3.28Å; D692-T696 WeakPolarHBondContact O-CB 3.2Å; D692-T696 PolarHBondContact O-N 3.26Å; D692-T696 PolarHBondContact O-OG1 3.32Å; V693-T696 PolarHBondContact O-N 3.11Å; T696-R698 VanDerWaalsContact C-N 3.32Å; T696-R698 PolarHBondContact O-N 3.4Å; T696-C699 PolarHBondContact O-N 2.97Å; T696-L700 HydrophobicContact CG2-CD1 4.25Å; T696-L700 WeakPolarHBondContact O-CB 3.33Å; T696-L700 PolarHBondContact O-N 3.27Å
697I55.2Low51.6Low104 Ų10485.7 Ų85.753%0.53346%0.462SS..Hα-helixtrans-62.4-42.2173.7-69.1170.5000110.1V693 C699 L700 H701V693-I697 HydrophobicContact CG1-CD1 3.58Å; V693-I697 HydrophobicContact CG1-CG1 4.21Å; V693-I697 WeakPolarHBondContact O-CB 3.47Å; V693-I697 VanDerWaalsContact O-CG1 3.23Å; V693-I697 WeakPolarHBondContact O-CG1 3.37Å; V693-I697 PolarHBondContact O-N 2.98Å; I697-C699 VanDerWaalsContact C-N 3.35Å; I697-C699 PolarHBondContact O-N 3.39Å; I697-L700 PolarHBondContact O-N 3.03Å; I697-H701 VanDerWaalsContact O-CB 3.3Å; I697-H701 WeakPolarHBondContact O-CB 3.35Å; I697-H701 PolarHBondContact O-N 3.16Å
698R49.9Very low50.7Low164 Ų16488.6 Ų88.662%0.61947%0.47SS*.Hα-helixtrans-64.1-39.5177.8-161.2-178.5-83.3165.4-7.8111.3V694 T695 T696 Q702V694-R698 WeakPolarHBondContact O-CB 3.47Å; V694-R698 PolarHBondContact O-N 3.38Å; T695-R698 PolarHBondContact O-N 2.97Å; T696-R698 VanDerWaalsContact C-N 3.32Å; T696-R698 PolarHBondContact O-N 3.4Å; R698-Q702 WeakPolarHBondContact O-CB 3.31Å; R698-Q702 PolarHBondContact O-N 2.9Å
699C50.1Low49.7Very low60 Ų6090 Ų9041%0.40548%0.478SS..Hα-helixtrans-65.9-43.6172.5-73.80000112.9T695 T696 I697 Q702 L703T695-C699 WeakPolarHBondContact O-CB 3.42Å; T695-C699 PolarHBondContact O-N 3.47Å; T695-C699 PolarHBondContact O-SG 3.05Å; T696-C699 PolarHBondContact O-N 2.97Å; I697-C699 VanDerWaalsContact C-N 3.35Å; I697-C699 PolarHBondContact O-N 3.39Å; C699-Q702 PolarHBondContact O-N 3.05Å; C699-L703 WeakPolarHBondContact O-CB 3.47Å; C699-L703 WeakPolarHBondContact O-CD1 3.33Å; C699-L703 WeakPolarHBondContact O-CG 3.48Å; C699-L703 PolarHBondContact O-N 3.23Å
700L51Low48.6Very low96 Ų9697.5 Ų97.550%0.50350%0.503SS..Hα-helixtrans-62.7-43.3176.4-87.3161.8000111.5T696 I697 L703 D704T696-L700 HydrophobicContact CG2-CD1 4.25Å; T696-L700 WeakPolarHBondContact O-CB 3.33Å; T696-L700 PolarHBondContact O-N 3.27Å; I697-L700 PolarHBondContact O-N 3.03Å; L700-L703 PolarHBondContact O-N 3.07Å; L700-D704 WeakPolarHBondContact O-CB 3.41Å; L700-D704 PolarHBondContact O-N 3.09Å
701H50.3Low47.3Very low128 Ų12898.6 Ų98.659%0.59351%0.51SS*.Hα-helixtrans-64.2-40176.8-170.3-94.9000111.6I697 I705I697-H701 VanDerWaalsContact O-CB 3.3Å; I697-H701 WeakPolarHBondContact O-CB 3.35Å; I697-H701 PolarHBondContact O-N 3.16Å; H701-I705 WeakPolarHBondContact O-CD1 3.02Å; H701-I705 VanDerWaalsContact O-CG1 3.25Å; H701-I705 WeakPolarHBondContact O-CG1 3.47Å; H701-I705 PolarHBondContact O-N 3.4Å
702Q49.6Very low46.1Very low128 Ų128101.7 Ų101.760%0.59852%0.521SS*.Hα-helixtrans-64.9-36.5173.3-104.2169.8-49.500113R698 C699 T706R698-Q702 WeakPolarHBondContact O-CB 3.31Å; R698-Q702 PolarHBondContact O-N 2.9Å; C699-Q702 PolarHBondContact O-N 3.05Å; Q702-T706 PolarHBondContact O-OG1 3.09Å
703L45.8Very low45Very low54 Ų54102.8 Ų102.828%0.28353%0.527SS..Hα-helixtrans-76.8-29.3179.2-76.6160.3000113.3L292 C699 L700 T706 S707L292-L703 HydrophobicContact CD2-CD1 4.27Å; C699-L703 WeakPolarHBondContact O-CB 3.47Å; C699-L703 WeakPolarHBondContact O-CD1 3.33Å; C699-L703 WeakPolarHBondContact O-CG 3.48Å; C699-L703 PolarHBondContact O-N 3.23Å; L700-L703 PolarHBondContact O-N 3.07Å; L703-T706 PolarHBondContact O-OG1 3.15Å; L703-S707 WeakPolarHBondContact O-CB 3.28Å; L703-S707 PolarHBondContact O-N 3.33Å
704D43.5Very low43.9Very low113 Ų113105.5 Ų105.560%0.60454%0.535SS*.Hα-helixtrans-74.5-35.4177.4-153.917.7000111.1L700 T706 S707L700-D704 WeakPolarHBondContact O-CB 3.41Å; L700-D704 PolarHBondContact O-N 3.09Å; D704-T706 VanDerWaalsContact C-N 3.3Å; D704-T706 PolarHBondContact O-N 3.47Å; D704-S707 PolarHBondContact O-N 3.48Å; D704-S707 PolarHBondContact O-OG 3.37Å
705I44.4Very low42.7Very low113 Ų113111.1 Ų111.158%0.57956%0.556SS**Hα-helixtrans-63-34.6173.9-67.2165.8000111.9H701H701-I705 WeakPolarHBondContact O-CD1 3.02Å; H701-I705 VanDerWaalsContact O-CG1 3.25Å; H701-I705 WeakPolarHBondContact O-CG1 3.47Å; H701-I705 PolarHBondContact O-N 3.4Å
706T43.7Very low41.7Very low90 Ų90113 Ų11355%0.55257%0.568SS**Hα-helixtrans-87.5-10.7-178.557.80000114.3Q702 L703 D704Q702-T706 PolarHBondContact O-OG1 3.09Å; L703-T706 PolarHBondContact O-OG1 3.15Å; D704-T706 VanDerWaalsContact C-N 3.3Å; D704-T706 PolarHBondContact O-N 3.47Å
707S41.8Very low40.8Very low62 Ų62118.3 Ų118.343%0.43459%0.59SS.*Hα-helixtrans-95.7-15-174.9800000115.2R374 L703 D704R374-S707 PolarHBondContact NH2-O 3.37Å; R374-S707 VanDerWaalsContact NH2-O 3.15Å; L703-S707 WeakPolarHBondContact O-CB 3.28Å; L703-S707 PolarHBondContact O-N 3.33Å; D704-S707 PolarHBondContact O-N 3.48Å; D704-S707 PolarHBondContact O-OG 3.37Å
708K34.1Very low39.7Very low171 Ų171124.5 Ų124.574%0.74361%0.607SS**SBendtrans-61.3123.7170.9-91-178.3177.5176.10109.3R710K708-R710 PolarHBondContact O-N 3.4Å
709P35.1Very low39Very low79 Ų79124 Ų12451%0.51362%0.616SS.*  trans-61120173.227.6-30.2000106.6S711P709-S711 PolarHBondContact O-N 2.82Å; P709-S711 PolarHBondContact O-OG 3.23Å
710R30.2Very low38.2Very low207 Ų207127.9 Ų127.978%0.78163%0.632SS**  trans-70.261.2168-132.5-178.4-165.6179.6-0.1108.2K708 L713K708-R710 PolarHBondContact O-N 3.4Å; R710-L713 HydrophobicContact CG-CB 4.22Å; R710-L713 HydrophobicContact CG-CD1 4.4Å
711S30.1Very low37.3Very low84 Ų84131.8 Ų131.859%0.58765%0.648SS**THydrogen-bonded Turntrans-84.1116.7167.851.50000106.2P709P709-S711 PolarHBondContact O-N 2.82Å; P709-S711 PolarHBondContact O-OG 3.23Å
712H31.1Very low36.4Very low182 Ų182132.9 Ų132.984%0.84366%0.657SS**THydrogen-bonded Turntrans82.540-173.9-57.2-83000116.9E714H712-E714 PolarHBondContact O-N 3Å; H712-E714 VanDerWaalsContact O-N 3.16Å
713L33.6Very low35.7Very low92 Ų92132.4 Ų132.448%0.48267%0.666SS.*  trans-72.1108.7152-155.177000107.3R710 H715R710-L713 HydrophobicContact CG-CB 4.22Å; R710-L713 HydrophobicContact CG-CD1 4.4Å; L713-H715 PolarHBondContact O-N 3.22Å
714E32.6Very low34.8Very low124 Ų124135.6 Ų135.658%0.57969%0.691SS**  trans-45.4122.5-177.7-73.9157.4141.100112.1H712 T716H712-E714 PolarHBondContact O-N 3Å; H712-E714 VanDerWaalsContact O-N 3.16Å; E714-T716 PolarHBondContact O-N 3.31Å
715H32.1Very low34.4Very low189 Ų189135.9 Ų135.988%0.87570%0.697SS**THydrogen-bonded Turntrans-6822.3173-118.1-63.5000113.1L713L713-H715 PolarHBondContact O-N 3.22Å
716T36.4Very low33.7Very low99 Ų99138.5 Ų138.561%0.60771%0.712SS**THydrogen-bonded Turntrans-132.5-5.5-16842.20000115.7E714E714-T716 PolarHBondContact O-N 3.31Å
717E35.3Very low33.1Very low146 Ų146137.6 Ų137.668%0.68272%0.721SS**SBendtrans-105.8-10.2-177.8-78.1-170.4154.100116
718W33.2Very low32.7Very low234 Ų234140.3 Ų140.389%0.88674%0.74SS**SBendtrans-94.45.4178.5-85.383.6000115.3
719L34.5Very low33Very low152 Ų152141 Ų14180%0.79675%0.746SS**SBendtrans-106.81.8-179.3-93.4155.2000114.6
720N34.6Very low33.1Very low142 Ų142144.8 Ų144.876%0.75976%0.757SS**SBendtrans-1174.1-173.3-80.7-17.2000116.5
721E31.9Very low33.3Very low179 Ų179142.9 Ų142.984%0.83676%0.761SS**  trans-133.277.1174.1-72.1-165168.600111.9
722L31.7Very low33.8Very low150 Ų150147 Ų14779%0.78578%0.777SS**  trans-155.191.3156.3-100.8137.9000108.7C724L722-C724 PolarHBondContact O-N 3.2Å
723P33.2Very low34.3Very low119 Ų119149.1 Ų149.177%0.77378%0.777SS**  trans-74.2113.2154.628-21.6000107.3T725P723-T725 PolarHBondContact O-N 3.25Å; P723-T725 VanDerWaalsContact O-N 3.1Å
724C26.8Very low34.7Very low120 Ų120156.2 Ų156.281%0.81180%0.797SS**  trans-56109.6166.3-57.80000109.6L722L722-C724 PolarHBondContact O-N 3.2Å
725T35.1Very low34.9Very low119 Ų119157.9 Ų157.973%0.7381%0.809SS**  trans-158.2115.315145.50000111.1P723P723-T725 PolarHBondContact O-N 3.25Å; P723-T725 VanDerWaalsContact O-N 3.1Å
726N30.6Very low35.3Very low168 Ų168163.5 Ų163.590%0.89883%0.825SS**  trans54.6101.5145.1-61.4-8.8000118.6
727G32.1Very low35.2Very low72 Ų72166.8 Ų166.874%0.74284%0.835SS**  trans17840.9165.200000113.8E729G727-E729 VanDerWaalsContact C-N 3.34Å; G727-E729 PolarHBondContact O-N 3.42Å
728S31.6Very low35.2Very low119 Ų119167.8 Ų167.883%0.83284%0.843SS**THydrogen-bonded Turntrans-72.589.5167.860.20000108.6
729E40.5Very low35.3Very low186 Ų186164.2 Ų164.287%0.86984%0.841SS**THydrogen-bonded Turntrans-174-13.7156.9-109166.5-17000114.8G727G727-E729 VanDerWaalsContact C-N 3.34Å; G727-E729 PolarHBondContact O-N 3.42Å
730E38Very low35.4Very low158 Ų158164.9 Ų164.974%0.73884%0.844SS**SBendtrans-104.3-1.2-165.4-147.563.6-143.500116.6
731L35Very low35.4Very low167 Ų167166.3 Ų166.387%0.87485%0.849SS**SBendtrans-100.2-4.6-173.6-138.978000115.8R733L731-R733 VanDerWaalsContact C-N 3.32Å; L731-R733 PolarHBondContact O-N 3.48Å
732D40Very low35.7Very low170 Ų170165.5 Ų165.591%0.90985%0.85SS**THydrogen-bonded Turntrans-86.410.6-177.7-104.7-10.4000114.7
733R41.8Very low35.9Very low226 Ų226166.6 Ų166.685%0.85385%0.854SS**THydrogen-bonded Turntrans-114.25.1-173.5-102.7-175.9-172171.35.1117.3L731L731-R733 VanDerWaalsContact C-N 3.32Å; L731-R733 PolarHBondContact O-N 3.48Å
734R41.3Very low36.2Very low241 Ų241170.2 Ų170.291%0.90986%0.861SS**SBendtrans-124.314.2-176.5-69-165.6-166.6-171.56.2116.3
735I37.3Very low36.9Very low159 Ų159174.4 Ų174.482%0.81587%0.865SS**  trans-127.886.7174-54.3178.7000108.8
736Y40Very low37.1Very low308 Ų308179.5 Ų179.5100%1.20888%0.877SS**  trans-151.10155.8-111.3-76.8000108.9

Retrieved 736 of 736 residues in 234.7 ms (Link to these results)

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