G4V8G7_SCHMA Loading...

Derlin

May be involved in the degradation of misfolded endoplasmic reticulum (ER) luminal proteins.

AlphaFold DB , UniProt , Accession G4V8G7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 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
1M56.1Low75.2Confident210 Ų21099.2 Ų99.2100%1.03453%0.529SS*.  06.20-82.3-162.9-166.700111.2S5M1-S5 PolarHBondContact O-OG 3.39Å
2D74Confident76.2Confident121 Ų12190.9 Ų90.965%0.64749%0.485SS*.Hα-helixtrans-80.4-31.1-158.9-47.4-69.2000112.8S5 Q6D2-S5 WeakPolarHBondContact CA-OG 3.38Å; D2-S5 PolarHBondContact O-OG 3Å; D2-Q6 WeakPolarHBondContact O-CB 3.35Å; D2-Q6 PolarHBondContact O-N 2.89Å
3I76.6Confident77.1Confident141 Ų14189.1 Ų89.172%0.72348%0.481SS*.Hα-helixtrans-65.3-45.6-179.2-57.6173.5000111.2Q6 E7I3-Q6 PolarHBondContact O-N 3.34Å; I3-E7 VanDerWaalsContact O-CB 3.31Å; I3-E7 WeakPolarHBondContact O-CB 3.41Å; I3-E7 PolarHBondContact O-N 3.38Å
4I74.6Confident78.2Confident124 Ų12484.6 Ų84.664%0.63646%0.458SS*.Hα-helixtrans-69.9-44.4-178-62.2175.1000110.2Q6 E7 I8I4-Q6 VanDerWaalsContact C-N 3.29Å; I4-Q6 PolarHBondContact O-N 2.84Å; I4-E7 PolarHBondContact O-N 3.16Å; I4-I8 HydrophobicContact CG2-CD1 3.76Å; I4-I8 HydrophobicContact CG2-CG1 4.36Å; I4-I8 WeakPolarHBondContact O-CB 3.38Å; I4-I8 VanDerWaalsContact O-CG1 3.28Å; I4-I8 WeakPolarHBondContact O-CG1 3.34Å; I4-I8 PolarHBondContact O-N 2.93Å
5S75.2Confident79.2Confident66 Ų6678.9 Ų78.946%0.46243%0.427SS..Hα-helixtrans-62.8-38.3176.749.20000112M1 D2 S9M1-S5 PolarHBondContact O-OG 3.39Å; D2-S5 WeakPolarHBondContact CA-OG 3.38Å; D2-S5 PolarHBondContact O-OG 3Å; S5-S9 VanDerWaalsContact O-CB 3.26Å; S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.49Å
6Q75.7Confident80Confident117 Ų11776.2 Ų76.255%0.54742%0.416SS..Hα-helixtrans-66.4-43.6176.4-174.7172.68.600111D2 I3 I4 S9 N10D2-Q6 WeakPolarHBondContact O-CB 3.35Å; D2-Q6 PolarHBondContact O-N 2.89Å; I3-Q6 PolarHBondContact O-N 3.34Å; I4-Q6 VanDerWaalsContact C-N 3.29Å; I4-Q6 PolarHBondContact O-N 2.84Å; Q6-S9 PolarHBondContact O-N 3Å; Q6-N10 VanDerWaalsContact O-CB 3.27Å; Q6-N10 WeakPolarHBondContact O-CB 3.29Å; Q6-N10 PolarHBondContact O-N 3.38Å; Q6-N10 PolarHBondContact O-ND2 2.88Å
7E76.3Confident80.8Confident70 Ų7075.1 Ų75.133%0.32742%0.419SS..Hα-helixtrans-63.5-42.8177-178.169.816500112.1I3 I4 N10 T11 Y77 R81I3-E7 VanDerWaalsContact O-CB 3.31Å; I3-E7 WeakPolarHBondContact O-CB 3.41Å; I3-E7 PolarHBondContact O-N 3.38Å; I4-E7 PolarHBondContact O-N 3.16Å; E7-N10 PolarHBondContact O-N 3.42Å; E7-T11 PolarHBondContact O-N 3.13Å; E7-T11 PolarHBondContact O-OG1 3.35Å; E7-Y77 PolarHBondContact OE1-OH 3.5Å; E7-R81 VanDerWaalsContact CD-NH1 3.3Å; E7-R81 IonicContact OE1-CZ 3.48Å; E7-R81 IonicContact OE1-NH1 3.6Å; E7-R81 PolarHBondContact OE1-NH1 3.41Å; E7-R81 IonicContact OE1-NH2 3.52Å; E7-R81 IonicContact OE2-CZ 3.78Å; E7-R81 IonicContact OE2-NH1 3.62Å; E7-R81 IonicContact OE2-NH2 3.76Å; E7-R81 PolarHBondContact OE2-NH2 2.7Å
8I77.7Confident81.6Confident105 Ų10571.9 Ų71.954%0.53840%0.4SS..Hα-helixtrans-63.6-42.9174.8-68.3169.5000110.6I4 N10 T11I4-I8 HydrophobicContact CG2-CD1 3.76Å; I4-I8 HydrophobicContact CG2-CG1 4.36Å; I4-I8 WeakPolarHBondContact O-CB 3.38Å; I4-I8 VanDerWaalsContact O-CG1 3.28Å; I4-I8 WeakPolarHBondContact O-CG1 3.34Å; I4-I8 PolarHBondContact O-N 2.93Å; I8-N10 VanDerWaalsContact C-N 3.27Å; I8-N10 PolarHBondContact O-N 3.43Å; I8-T11 PolarHBondContact O-N 2.93Å
9S76.4Confident82.3Confident96 Ų9669.5 Ų69.567%0.67139%0.386SS*.Hα-helixtrans-64.8-32178.2-177.10000112.8S5 Q6S5-S9 VanDerWaalsContact O-CB 3.26Å; S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.49Å; Q6-S9 PolarHBondContact O-N 3Å
10N81.3Confident82.8Confident25 Ų2568.9 Ų68.913%0.13439%0.387CS..Hα-helixtrans-85.1-21.4-178.8-73.5-17.9000112.7Q6 E7 I8 Y216Q6-N10 VanDerWaalsContact O-CB 3.27Å; Q6-N10 WeakPolarHBondContact O-CB 3.29Å; Q6-N10 PolarHBondContact O-N 3.38Å; Q6-N10 PolarHBondContact O-ND2 2.88Å; E7-N10 PolarHBondContact O-N 3.42Å; I8-N10 VanDerWaalsContact C-N 3.27Å; I8-N10 PolarHBondContact O-N 3.43Å; N10-Y216 HydrophobicContact CB-CD2 3.7Å; N10-Y216 HydrophobicContact CB-CE2 3.39Å; N10-Y216 WeakPolarHBondContact ND2-CD2 3.48Å
11T83.6Confident83.4Confident16 Ų1668.3 Ų68.310%0.09839%0.385CS..SBendtrans-60.2128.2179.2-60.70000109.8E7 I8 T15 Y77E7-T11 PolarHBondContact O-N 3.13Å; E7-T11 PolarHBondContact O-OG1 3.35Å; I8-T11 PolarHBondContact O-N 2.93Å; T11-T15 HydrophobicContact CG2-CG2 4.01Å; T11-Y77 HydrophobicContact CG2-CE2 3.9Å
12P87.3Confident85.2Confident0 Ų058.3 Ų58.30%034%0.335CS..  trans-53.3147175.7-28.335.8000113.7V14 T15 S16 R81 E84 E85P12-V14 PolarHBondContact O-N 2.91Å; P12-T15 PolarHBondContact O-N 3.02Å; P12-S16 VanDerWaalsContact O-CB 3.28Å; P12-S16 WeakPolarHBondContact O-CB 3.29Å; P12-S16 PolarHBondContact O-N 2.93Å; P12-R81 HydrophobicContact CG-CG 4.11Å; P12-E84 HydrophobicContact CB-CB 3.91Å; P12-E84 HydrophobicContact CB-CG 3.57Å; P12-E84 VanDerWaalsContact CB-OE1 3.27Å; P12-E84 WeakPolarHBondContact CB-OE1 3.26Å; P12-E84 WeakPolarHBondContact CB-OE2 3.35Å; P12-E84 HydrophobicContact CG-CB 4.17Å; P12-E84 HydrophobicContact CG-CG 4.28Å; P12-E85 WeakPolarHBondContact CD-OE1 3.36Å; P12-E85 HydrophobicContact CG-CG 3.42Å; P12-E85 VanDerWaalsContact CG-CG 3.42Å
13P87.8Confident86.1Confident67 Ų6757.7 Ų57.744%0.43533%0.327SS..Hα-helixtrans-63.1-40-169.424.6-34.5000113.5A17 E84 T92P13-A17 VanDerWaalsContact O-CB 3.29Å; P13-A17 WeakPolarHBondContact O-CB 3.4Å; P13-A17 PolarHBondContact O-N 3.3Å; P13-E84 VanDerWaalsContact CD-OE1 3.26Å; P13-E84 WeakPolarHBondContact CD-OE1 3.37Å; P13-T92 HydrophobicContact CG-CG2 4.45Å
14V91.9Very high86.9Confident26 Ų2656.4 Ų56.416%0.15832%0.321CS..Hα-helixtrans-72-43.2-178.5-178.30000110P12 S16 A17 Y18 E84 F95 V96P12-V14 PolarHBondContact O-N 2.91Å; V14-S16 PolarHBondContact O-N 2.94Å; V14-A17 PolarHBondContact O-N 2.9Å; V14-Y18 VanDerWaalsContact O-CB 3.31Å; V14-Y18 WeakPolarHBondContact O-CB 3.49Å; V14-Y18 PolarHBondContact O-N 2.87Å; V14-E84 WeakPolarHBondContact CB-OE1 3.08Å; V14-E84 WeakPolarHBondContact CB-OE2 3.26Å; V14-E84 PolarHBondContact N-OE1 3.22Å; V14-E84 PolarHBondContact N-OE2 3.18Å; V14-F95 HydrophobicContact CB-CD1 3.69Å; V14-F95 HydrophobicContact CB-CE1 3.87Å; V14-F95 HydrophobicContact CG1-CD1 3.66Å; V14-F95 HydrophobicContact CG1-CE1 3.74Å; V14-F95 HydrophobicContact CG2-CD1 4.07Å; V14-V96 HydrophobicContact CG1-CG2 4.46Å; V14-V96 HydrophobicContact CG2-CG2 3.83Å
15T93Very high87.8Confident0 Ų051.6 Ų51.60%030%0.297CS..Hα-helixtrans-59.1-47.5174.6-59.20000111T11 P12 Y18 I19 Y77 C80 R81 E84T11-T15 HydrophobicContact CG2-CG2 4.01Å; P12-T15 PolarHBondContact O-N 3.02Å; T15-Y18 PolarHBondContact O-N 3.49Å; T15-I19 HydrophobicContact CG2-CG1 4.18Å; T15-I19 WeakPolarHBondContact O-CB 3.31Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.43Å; T15-I19 PolarHBondContact O-N 3.44Å; T15-Y77 HydrophobicContact CG2-CD2 3.98Å; T15-Y77 HydrophobicContact CG2-CE2 4.39Å; T15-C80 HydrophobicContact CG2-CB 4.02Å; T15-C80 PolarHBondContact OG1-SG 3.03Å; T15-R81 HydrophobicContact CG2-CB 4.04Å; T15-R81 PolarHBondContact OG1-N 2.88Å; T15-E84 WeakPolarHBondContact CB-OE2 3.19Å; T15-E84 PolarHBondContact N-OE2 2.9Å; T15-E84 PolarHBondContact OG1-OE2 3.43Å
16S92.7Very high88.6Confident35 Ų3548.5 Ų48.525%0.24528%0.275CS..Hα-helixtrans-61.8-46.8178.9-175.80000111.3P12 V14 Y18 S20P12-S16 VanDerWaalsContact O-CB 3.28Å; P12-S16 WeakPolarHBondContact O-CB 3.29Å; P12-S16 PolarHBondContact O-N 2.93Å; V14-S16 PolarHBondContact O-N 2.94Å; S16-Y18 PolarHBondContact O-N 3.44Å; S16-S20 WeakPolarHBondContact O-CB 3.07Å; S16-S20 PolarHBondContact O-N 2.91Å; S16-S20 PolarHBondContact O-OG 2.91Å
17A93.6Very high89.5Confident57 Ų5745 Ų4547%0.47126%0.261SS..Hα-helixtrans-61.4-45.3177.300000112.1P13 V14 T21P13-A17 VanDerWaalsContact O-CB 3.29Å; P13-A17 WeakPolarHBondContact O-CB 3.4Å; P13-A17 PolarHBondContact O-N 3.3Å; V14-A17 PolarHBondContact O-N 2.9Å; A17-T21 WeakPolarHBondContact O-CB 3.28Å; A17-T21 PolarHBondContact O-N 3.08Å; A17-T21 PolarHBondContact O-OG1 3.22Å
18Y95.1Very high90.3Very high18 Ų1842.4 Ų42.47%0.07125%0.252CS..Hα-helixtrans-63.2-53.5178.5172.5-119.9000111.7V14 T15 S16 S20 T21 C22 F62 A76 F99 L122V14-Y18 VanDerWaalsContact O-CB 3.31Å; V14-Y18 WeakPolarHBondContact O-CB 3.49Å; V14-Y18 PolarHBondContact O-N 2.87Å; T15-Y18 PolarHBondContact O-N 3.49Å; S16-Y18 PolarHBondContact O-N 3.44Å; Y18-S20 PolarHBondContact O-N 3.37Å; Y18-T21 WeakPolarHBondContact O-CB 3.3Å; Y18-T21 PolarHBondContact O-N 3.48Å; Y18-T21 VanDerWaalsContact O-N 3.13Å; Y18-C22 WeakPolarHBondContact CE2-SG 3.09Å; Y18-C22 PolarHBondContact O-N 3.07Å; Y18-C22 PolarHBondContact O-SG 3.29Å; Y18-F62 WeakPolarHBondContact OH-CZ 3.31Å; Y18-A76 HydrophobicContact CE1-CB 4.14Å; Y18-F99 HydrophobicContact CD2-CE1 4.43Å; Y18-F99 HydrophobicContact CG-CE1 4.38Å; Y18-L122 HydrophobicContact CE2-CD2 3.71Å; Y18-L122 WeakPolarHBondContact OH-CD2 3.37Å
19I94.7Very high91Very high27 Ų2738.2 Ų38.214%0.13823%0.231CC..Hα-helixtrans-67.7-37-176.9-63-62.6000111.7T15 T21 C22 F23 I73 A76 Y77T15-I19 HydrophobicContact CG2-CG1 4.18Å; T15-I19 WeakPolarHBondContact O-CB 3.31Å; T15-I19 VanDerWaalsContact O-CG1 3.28Å; T15-I19 WeakPolarHBondContact O-CG1 3.43Å; T15-I19 PolarHBondContact O-N 3.44Å; I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 2.98Å; I19-C22 PolarHBondContact O-N 3.26Å; I19-F23 WeakPolarHBondContact O-CB 2.95Å; I19-F23 PolarHBondContact O-N 3.22Å; I19-I73 HydrophobicContact CD1-CD1 3.72Å; I19-I73 HydrophobicContact CD1-CG1 4.4Å; I19-I73 HydrophobicContact CG2-CD1 4.29Å; I19-I73 HydrophobicContact CG2-CG1 4.36Å; I19-A76 HydrophobicContact CD1-CB 4.04Å; I19-Y77 HydrophobicContact CG1-CD2 4.1Å; I19-Y77 HydrophobicContact CG2-CD2 4.48Å
20S93.5Very high91.7Very high57 Ų5738.9 Ų38.940%0.39922%0.224SC..Hα-helixtrans-61.7-42.5172-61.70000111.2S16 Y18 F23 L24S16-S20 WeakPolarHBondContact O-CB 3.07Å; S16-S20 PolarHBondContact O-N 2.91Å; S16-S20 PolarHBondContact O-OG 2.91Å; Y18-S20 PolarHBondContact O-N 3.37Å; S20-F23 PolarHBondContact O-N 2.85Å; S20-L24 VanDerWaalsContact O-CB 3.29Å; S20-L24 WeakPolarHBondContact O-CB 3.15Å; S20-L24 WeakPolarHBondContact O-CG 3.38Å; S20-L24 PolarHBondContact O-N 3.12Å
21T94.4Very high92.3Very high56 Ų5643 Ų4334%0.34425%0.245SC..Hα-helixtrans-62.3-44.5176.1-57.80000111.2A17 Y18 I19 L24 L25 C60A17-T21 WeakPolarHBondContact O-CB 3.28Å; A17-T21 PolarHBondContact O-N 3.08Å; A17-T21 PolarHBondContact O-OG1 3.22Å; Y18-T21 WeakPolarHBondContact O-CB 3.3Å; Y18-T21 PolarHBondContact O-N 3.48Å; Y18-T21 VanDerWaalsContact O-N 3.13Å; I19-T21 VanDerWaalsContact C-N 3.33Å; I19-T21 PolarHBondContact O-N 2.98Å; T21-L24 PolarHBondContact O-N 2.9Å; T21-L25 HydrophobicContact CG2-CD1 4.04Å; T21-L25 HydrophobicContact CG2-CG 4.44Å; T21-L25 WeakPolarHBondContact O-CB 3.34Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.38Å; T21-L25 PolarHBondContact O-N 3.25Å; T21-C60 HydrophobicContact CG2-CB 3.98Å
22C94.1Very high92.6Very high0 Ų049.3 Ų49.30%028%0.278CS..Hα-helixtrans-59.7-48176.2-62.50000112Y18 I19 L25 T26 C60 F62 I73Y18-C22 WeakPolarHBondContact CE2-SG 3.09Å; Y18-C22 PolarHBondContact O-N 3.07Å; Y18-C22 PolarHBondContact O-SG 3.29Å; I19-C22 PolarHBondContact O-N 3.26Å; C22-L25 PolarHBondContact O-N 3.41Å; C22-T26 PolarHBondContact O-N 3.13Å; C22-T26 VanDerWaalsContact O-N 3.08Å; C22-T26 PolarHBondContact O-OG1 3.21Å; C22-C60 VanDerWaalsContact CA-O 3.22Å; C22-C60 WeakPolarHBondContact CA-O 3.33Å; C22-C60 WeakPolarHBondContact CB-O 3.41Å; C22-C60 VanDerWaalsContact SG-CA 3.6Å; C22-C60 PolarHBondContact SG-O 3.43Å; C22-F62 HydrophobicContact CB-CD2 4.34Å; C22-F62 HydrophobicContact CB-CE2 4.33Å; C22-I73 HydrophobicContact CB-CD1 3.49Å; C22-I73 VanDerWaalsContact CB-CD1 3.49Å
23F92.5Very high92.8Very high108 Ų10855.5 Ų55.547%0.47431%0.311SS..Hα-helixtrans-63.7-47.3179.7-174.6-98.3000112I19 S20 L25 T26 V27 F65I19-F23 WeakPolarHBondContact O-CB 2.95Å; I19-F23 PolarHBondContact O-N 3.22Å; S20-F23 PolarHBondContact O-N 2.85Å; F23-L25 PolarHBondContact O-N 3.38Å; F23-T26 PolarHBondContact O-N 3.37Å; F23-V27 HydrophobicContact CD1-CG2 4.11Å; F23-V27 HydrophobicContact CE1-CG2 3.74Å; F23-V27 HydrophobicContact CE2-CG2 4.42Å; F23-V27 HydrophobicContact CZ-CG2 3.92Å; F23-V27 WeakPolarHBondContact O-CG2 3.44Å; F23-V27 PolarHBondContact O-N 3.12Å; F23-F65 HydrophobicContact CD2-CZ 4.38Å; F23-F65 AromaticContact CE2-CZ 3.85Å; F23-F65 HydrophobicContact CE2-CZ 3.85Å
24L93.8Very high92.9Very high114 Ų11454.9 Ų54.960%0.59730%0.303SS*.Hα-helixtrans-61-42.1178.7-73.6171.7000112.1S20 T21 V27 A28S20-L24 VanDerWaalsContact O-CB 3.29Å; S20-L24 WeakPolarHBondContact O-CB 3.15Å; S20-L24 WeakPolarHBondContact O-CG 3.38Å; S20-L24 PolarHBondContact O-N 3.12Å; T21-L24 PolarHBondContact O-N 2.9Å; L24-V27 PolarHBondContact O-N 3.32Å; L24-A28 VanDerWaalsContact O-CB 3.29Å; L24-A28 WeakPolarHBondContact O-CB 3.14Å; L24-A28 PolarHBondContact O-N 2.83Å
25L93.4Very high92.8Very high23 Ų2355.8 Ų55.812%0.1231%0.311CS..Hα-helixtrans-64.5-43.8176.9-75174.3000111.9T21 C22 F23 V27 A28 V29 L39 T57 C60T21-L25 HydrophobicContact CG2-CD1 4.04Å; T21-L25 HydrophobicContact CG2-CG 4.44Å; T21-L25 WeakPolarHBondContact O-CB 3.34Å; T21-L25 VanDerWaalsContact O-CG 3.3Å; T21-L25 WeakPolarHBondContact O-CG 3.38Å; T21-L25 PolarHBondContact O-N 3.25Å; C22-L25 PolarHBondContact O-N 3.41Å; F23-L25 PolarHBondContact O-N 3.38Å; L25-V27 PolarHBondContact O-N 2.92Å; L25-A28 PolarHBondContact O-N 3.05Å; L25-V29 WeakPolarHBondContact O-CG2 3.22Å; L25-V29 PolarHBondContact O-N 2.92Å; L25-L39 HydrophobicContact CD2-CD2 4.09Å; L25-T57 HydrophobicContact CD1-CG2 4.19Å; L25-T57 HydrophobicContact CD2-CG2 4.26Å; L25-C60 HydrophobicContact CD1-CB 3.47Å; L25-C60 VanDerWaalsContact CD1-CB 3.47Å
26T92.7Very high92.6Very high1 Ų158.4 Ų58.41%0.00633%0.328CS..Hα-helixtrans-63.2-42.2176.8-63.40000111.5C22 F23 V29 Q30 F65 F69C22-T26 PolarHBondContact O-N 3.13Å; C22-T26 VanDerWaalsContact O-N 3.08Å; C22-T26 PolarHBondContact O-OG1 3.21Å; F23-T26 PolarHBondContact O-N 3.37Å; T26-V29 PolarHBondContact O-N 3.31Å; T26-Q30 WeakPolarHBondContact O-CB 3.37Å; T26-Q30 PolarHBondContact O-N 3.19Å; T26-F65 HydrophobicContact CG2-CD2 3.54Å; T26-F65 HydrophobicContact CG2-CE2 3.54Å; T26-F65 HydrophobicContact CG2-CG 4.34Å; T26-F65 HydrophobicContact CG2-CZ 4.32Å; T26-F69 HydrophobicContact CG2-CD2 4.22Å; T26-F69 HydrophobicContact CG2-CE1 4.34Å; T26-F69 HydrophobicContact CG2-CE2 3.77Å; T26-F69 HydrophobicContact CG2-CZ 3.83Å; T26-F69 WeakPolarHBondContact OG1-CE2 3.28Å
27V93.2Very high92.4Very high43 Ų4364 Ų6426%0.26135%0.348SS..Hα-helixtrans-64-44.6175.2171.70000111.3F23 L24 L25 V29 Q30 L31 F65F23-V27 HydrophobicContact CD1-CG2 4.11Å; F23-V27 HydrophobicContact CE1-CG2 3.74Å; F23-V27 HydrophobicContact CE2-CG2 4.42Å; F23-V27 HydrophobicContact CZ-CG2 3.92Å; F23-V27 WeakPolarHBondContact O-CG2 3.44Å; F23-V27 PolarHBondContact O-N 3.12Å; L24-V27 PolarHBondContact O-N 3.32Å; L25-V27 PolarHBondContact O-N 2.92Å; V27-V29 VanDerWaalsContact C-N 3.28Å; V27-V29 PolarHBondContact O-N 3.11Å; V27-Q30 PolarHBondContact O-N 3.48Å; V27-Q30 VanDerWaalsContact O-N 3.13Å; V27-L31 HydrophobicContact CG1-CD1 3.76Å; V27-L31 HydrophobicContact CG1-CG 4.19Å; V27-L31 WeakPolarHBondContact O-CB 3.44Å; V27-L31 WeakPolarHBondContact O-CG 3.1Å; V27-L31 PolarHBondContact O-N 2.89Å; V27-F65 HydrophobicContact CG2-CE2 4.13Å
28A93.8Very high92.1Very high17 Ų1766 Ų6614%0.1435%0.347CS..Hα-helixtrans-60.6-38.5178.800000112.2L24 L25 N32 L33 I34L24-A28 VanDerWaalsContact O-CB 3.29Å; L24-A28 WeakPolarHBondContact O-CB 3.14Å; L24-A28 PolarHBondContact O-N 2.83Å; L25-A28 PolarHBondContact O-N 3.05Å; A28-N32 PolarHBondContact O-N 3.26Å; A28-L33 WeakPolarHBondContact O-CB 3.28Å; A28-L33 PolarHBondContact O-N 2.95Å; A28-I34 HydrophobicContact CB-CD1 3.93Å; A28-I34 HydrophobicContact CB-CG1 4.31Å; A28-I34 PolarHBondContact O-N 3.49Å
29V92.9Very high91.8Very high16 Ų1665.3 Ų65.310%0.09735%0.345CS..Hα-helixtrans-68.2-43.4173.3168.70000111.5L25 T26 V27 L31 N32 I34 P36 L39 F61L25-V29 WeakPolarHBondContact O-CG2 3.22Å; L25-V29 PolarHBondContact O-N 2.92Å; T26-V29 PolarHBondContact O-N 3.31Å; V27-V29 VanDerWaalsContact C-N 3.28Å; V27-V29 PolarHBondContact O-N 3.11Å; V29-L31 VanDerWaalsContact C-N 3.28Å; V29-L31 PolarHBondContact O-N 3.4Å; V29-N32 PolarHBondContact O-N 3.35Å; V29-I34 WeakPolarHBondContact CA-O 3.32Å; V29-P36 HydrophobicContact CG1-CG 3.68Å; V29-L39 HydrophobicContact CG2-CD1 3.5Å; V29-L39 VanDerWaalsContact CG2-CD1 3.5Å; V29-F61 HydrophobicContact CB-CE2 3.93Å; V29-F61 HydrophobicContact CB-CZ 4.45Å; V29-F61 HydrophobicContact CG1-CE2 4.01Å; V29-F61 HydrophobicContact CG1-CZ 4.03Å; V29-F61 HydrophobicContact CG2-CD2 4.28Å; V29-F61 HydrophobicContact CG2-CE2 3.68Å; V29-F61 HydrophobicContact CG2-CZ 4.26Å
30Q91.4Very high91.5Very high111 Ų11166.4 Ų66.452%0.51935%0.348SS..Hα-helixtrans-65.2-32.8-179.9-170.662.332.700112.7T26 V27 N32 F65T26-Q30 WeakPolarHBondContact O-CB 3.37Å; T26-Q30 PolarHBondContact O-N 3.19Å; V27-Q30 PolarHBondContact O-N 3.48Å; V27-Q30 VanDerWaalsContact O-N 3.13Å; Q30-N32 PolarHBondContact O-N 2.72Å; Q30-F65 HydrophobicContact CG-CD2 4.49Å
31L93.3Very high91.4Very high110 Ų11064 Ų6458%0.57633%0.331SS*.THydrogen-bonded Turntrans-80.34.8174-65.4177.4000113.1V27 V29 L33V27-L31 HydrophobicContact CG1-CD1 3.76Å; V27-L31 HydrophobicContact CG1-CG 4.19Å; V27-L31 WeakPolarHBondContact O-CB 3.44Å; V27-L31 WeakPolarHBondContact O-CG 3.1Å; V27-L31 PolarHBondContact O-N 2.89Å; V29-L31 VanDerWaalsContact C-N 3.28Å; V29-L31 PolarHBondContact O-N 3.4Å; L31-L33 HydrophobicContact CB-CD1 4.2Å; L31-L33 HydrophobicContact CB-CG 3.93Å; L31-L33 HydrophobicContact CD1-CD1 4.29Å; L31-L33 PolarHBondContact O-N 3.38Å; L31-L33 VanDerWaalsContact O-N 3.16Å
32N90.2Very high91.2Very high149 Ų14962.8 Ų62.880%0.79732%0.322SS*.THydrogen-bonded Turntrans55.823.8-175-60.5-61.4000114.2A28 V29 Q30 I34A28-N32 PolarHBondContact O-N 3.26Å; V29-N32 PolarHBondContact O-N 3.35Å; Q30-N32 PolarHBondContact O-N 2.72Å; N32-I34 VanDerWaalsContact C-N 3.33Å
33L91.2Very high90.8Very high130 Ų13064.9 Ų64.968%0.68134%0.335SS*.SBendtrans-74-31.2174.5-60.5176.7000111.2A28 L31A28-L33 WeakPolarHBondContact O-CB 3.28Å; A28-L33 PolarHBondContact O-N 2.95Å; L31-L33 HydrophobicContact CB-CD1 4.2Å; L31-L33 HydrophobicContact CB-CG 3.93Å; L31-L33 HydrophobicContact CD1-CD1 4.29Å; L31-L33 PolarHBondContact O-N 3.38Å; L31-L33 VanDerWaalsContact O-N 3.16Å
34I89.9Confident90.5Very high54 Ų5463.2 Ų63.228%0.27734%0.337SS..SBendtrans-133.9136.8-178.8-59.5175.3000108.4A28 V29 N32 Q38 L39A28-I34 HydrophobicContact CB-CD1 3.93Å; A28-I34 HydrophobicContact CB-CG1 4.31Å; A28-I34 PolarHBondContact O-N 3.49Å; V29-I34 WeakPolarHBondContact CA-O 3.32Å; N32-I34 VanDerWaalsContact C-N 3.33Å; I34-Q38 HydrophobicContact CG2-CB 4.15Å; I34-L39 HydrophobicContact CG2-CD2 3.93Å; I34-L39 HydrophobicContact CG2-CG 4.17Å
35S90.2Very high90.1Very high46 Ų4660 Ų6032%0.32232%0.32SS..  trans-80.3139.6173.3-177.80000110.7F37 Q38S35-F37 PolarHBondContact O-N 2.87Å; S35-F37 WeakPolarHBondContact OG-CD2 3.4Å; S35-F37 PolarHBondContact OG-N 2.98Å; S35-Q38 VanDerWaalsContact N-OE1 3.11Å; S35-Q38 WeakPolarHBondContact O-CB 3.34Å; S35-Q38 PolarHBondContact O-N 2.69Å
36P87.8Confident89.9Confident54 Ų5459.9 Ų59.935%0.35132%0.32SS..G310 helixtrans-51.9-29.4171.4-23.530.3000113.2V29 Q38 L39 Y40 F61V29-P36 HydrophobicContact CG1-CG 3.68Å; P36-Q38 PolarHBondContact O-N 3.13Å; P36-L39 PolarHBondContact O-N 3.15Å; P36-Y40 PolarHBondContact O-N 2.89Å; P36-F61 HydrophobicContact CB-CE1 4.38Å; P36-F61 HydrophobicContact CB-CZ 4.42Å
37F88.9Confident89.7Confident153 Ų15363 Ų6367%0.67135%0.346SS*.G310 helixtrans-64.5-18.5177-64.3-65.4000113.9S35 Y40 R54S35-F37 PolarHBondContact O-N 2.87Å; S35-F37 WeakPolarHBondContact OG-CD2 3.4Å; S35-F37 PolarHBondContact OG-N 2.98Å; F37-Y40 HydrophobicContact CB-CD1 4.48Å; F37-Y40 HydrophobicContact CB-CE1 4.17Å; F37-Y40 HydrophobicContact CD1-CE1 4.18Å; F37-Y40 WeakPolarHBondContact O-CD1 3.47Å; F37-Y40 WeakPolarHBondContact O-CE1 3.5Å; F37-R54 PolarHBondContact O-NH1 3.49Å; F37-R54 PolarHBondContact O-NH2 3.45Å
38Q87.6Confident89.5Confident98 Ų9866.8 Ų66.846%0.45836%0.364SS..G310 helixtrans-85-14.7176.2-65.7173.9-51.800112.7I34 S35 P36 W53 R54I34-Q38 HydrophobicContact CG2-CB 4.15Å; S35-Q38 VanDerWaalsContact N-OE1 3.11Å; S35-Q38 WeakPolarHBondContact O-CB 3.34Å; S35-Q38 PolarHBondContact O-N 2.69Å; P36-Q38 PolarHBondContact O-N 3.13Å; Q38-W53 PolarHBondContact O-NE1 2.81Å; Q38-R54 VanDerWaalsContact C-NH1 3.34Å; Q38-R54 PolarHBondContact O-NH1 2.94Å
39L88.5Confident89.3Confident5 Ų570.5 Ų70.53%0.02638%0.382CS..THydrogen-bonded Turntrans-100.3-30-172.2-56.5-177.9000113.8L25 V29 I34 P36 T57 S58 F61 F117L25-L39 HydrophobicContact CD2-CD2 4.09Å; V29-L39 HydrophobicContact CG2-CD1 3.5Å; V29-L39 VanDerWaalsContact CG2-CD1 3.5Å; I34-L39 HydrophobicContact CG2-CD2 3.93Å; I34-L39 HydrophobicContact CG2-CG 4.17Å; P36-L39 PolarHBondContact O-N 3.15Å; L39-T57 HydrophobicContact CD2-CG2 3.77Å; L39-T57 PolarHBondContact O-OG1 2.73Å; L39-S58 PolarHBondContact O-N 3.45Å; L39-F61 HydrophobicContact CD1-CB 4.11Å; L39-F61 HydrophobicContact CD1-CD1 4.42Å; L39-F61 HydrophobicContact CD1-CD2 3.61Å; L39-F61 HydrophobicContact CD1-CE2 4.1Å; L39-F61 HydrophobicContact CD1-CG 3.78Å; L39-F117 HydrophobicContact CB-CE1 4.44Å
40Y89.2Confident89.1Confident50 Ų5077.2 Ų77.220%0.19641%0.41CS..SBendtrans-64.8152.4-176.279.5-90.8000112.1P36 F37 N42 R54 L116P36-Y40 PolarHBondContact O-N 2.89Å; F37-Y40 HydrophobicContact CB-CD1 4.48Å; F37-Y40 HydrophobicContact CB-CE1 4.17Å; F37-Y40 HydrophobicContact CD1-CE1 4.18Å; F37-Y40 WeakPolarHBondContact O-CD1 3.47Å; F37-Y40 WeakPolarHBondContact O-CE1 3.5Å; Y40-N42 HydrophobicContact CD2-CB 4.13Å; Y40-N42 HydrophobicContact CE2-CB 3.52Å; Y40-N42 PolarHBondContact O-N 3.16Å; Y40-N42 PolarHBondContact OH-ND2 3.13Å; Y40-R54 WeakPolarHBondContact O-CD 3.45Å; Y40-R54 PolarHBondContact O-NH1 3.14Å; Y40-L116 CarbonylContact C-O 3.59Å; Y40-L116 WeakPolarHBondContact CA-O 3.38Å; Y40-L116 WeakPolarHBondContact CB-O 3.12Å; Y40-L116 HydrophobicContact CD2-CD2 3.68Å; Y40-L116 HydrophobicContact CE2-CD2 4.1Å; Y40-L116 HydrophobicContact CG-CD2 4.43Å
41F89.9Confident89.1Confident7 Ų773.7 Ų73.73%0.03139%0.394CS..  trans-70.1112.5177.1-179.1-103000110.2P43 I46 L55 I107 A110 L111 L116 L118F41-P43 HydrophobicContact CE1-CB 4.35Å; F41-P43 HydrophobicContact CE1-CG 4.34Å; F41-P43 HydrophobicContact CZ-CB 4.37Å; F41-I46 HydrophobicContact CD2-CD1 3.71Å; F41-I46 HydrophobicContact CE2-CD1 3.65Å; F41-I46 HydrophobicContact CZ-CD1 4.49Å; F41-L55 HydrophobicContact CD2-CD2 4.39Å; F41-L55 HydrophobicContact CE2-CD2 3.87Å; F41-I107 HydrophobicContact CE2-CG1 4.32Å; F41-I107 HydrophobicContact CE2-CG2 3.94Å; F41-I107 HydrophobicContact CZ-CG2 3.96Å; F41-A110 HydrophobicContact CD1-CB 4.03Å; F41-A110 HydrophobicContact CE1-CB 3.76Å; F41-A110 HydrophobicContact CZ-CB 4.38Å; F41-L111 HydrophobicContact CE1-CD2 4.14Å; F41-L111 HydrophobicContact CZ-CD2 3.84Å; F41-L111 HydrophobicContact CZ-CG 4.48Å; F41-L116 PolarHBondContact N-O 3.4Å; F41-L118 HydrophobicContact CB-CD1 3.46Å; F41-L118 VanDerWaalsContact CB-CD1 3.46Å; F41-L118 HydrophobicContact CD1-CD1 4.35Å; F41-L118 HydrophobicContact CD2-CD1 4.45Å; F41-L118 HydrophobicContact CG-CD1 3.86Å
42N90.3Very high88.9Confident30 Ų3073.3 Ų73.316%0.1639%0.392CS..  trans-127.3102.8175.2-172-45.4000109.2Y40 S44 L45 I46Y40-N42 HydrophobicContact CD2-CB 4.13Å; Y40-N42 HydrophobicContact CE2-CB 3.52Å; Y40-N42 PolarHBondContact O-N 3.16Å; Y40-N42 PolarHBondContact OH-ND2 3.13Å; N42-S44 VanDerWaalsContact C-N 3.3Å; N42-S44 PolarHBondContact O-N 3.19Å; N42-S44 WeakPolarHBondContact OD1-CB 3.36Å; N42-S44 PolarHBondContact OD1-N 3.22Å; N42-S44 VanDerWaalsContact OD1-N 3.11Å; N42-L45 HydrophobicContact CB-CB 4.05Å; N42-L45 HydrophobicContact CB-CD1 3.94Å; N42-L45 HydrophobicContact CB-CG 4.13Å; N42-L45 PolarHBondContact O-N 2.76Å; N42-L45 PolarHBondContact OD1-N 3.31Å; N42-I46 WeakPolarHBondContact O-CD1 3.27Å; N42-I46 WeakPolarHBondContact O-CG1 3.42Å; N42-I46 PolarHBondContact O-N 2.93Å
43P86Confident89Confident44 Ų4472.5 Ų72.529%0.28638%0.377SS..Hα-helixtrans-64.3-34.6-17524.8-33.1000112.8F41 I46 A47 L111F41-P43 HydrophobicContact CE1-CB 4.35Å; F41-P43 HydrophobicContact CE1-CG 4.34Å; F41-P43 HydrophobicContact CZ-CB 4.37Å; P43-I46 PolarHBondContact O-N 3.45Å; P43-A47 WeakPolarHBondContact O-CB 3.46Å; P43-A47 PolarHBondContact O-N 2.89Å; P43-L111 HydrophobicContact CB-CD2 3.4Å; P43-L111 VanDerWaalsContact CB-CD2 3.4Å; P43-L111 HydrophobicContact CG-CD2 4.1Å
44S85.9Confident89Confident73 Ų7366.9 Ų66.951%0.5135%0.347SS..Hα-helixtrans-64.5-42.4177.4-52.10000111.8N42 N48N42-S44 VanDerWaalsContact C-N 3.3Å; N42-S44 PolarHBondContact O-N 3.19Å; N42-S44 WeakPolarHBondContact OD1-CB 3.36Å; N42-S44 PolarHBondContact OD1-N 3.22Å; N42-S44 VanDerWaalsContact OD1-N 3.11Å; S44-N48 WeakPolarHBondContact O-CB 3.28Å; S44-N48 VanDerWaalsContact O-CG 3.29Å; S44-N48 PolarHBondContact O-N 3.19Å; S44-N48 PolarHBondContact O-ND2 2.98Å
45L86.3Confident89.1Confident45 Ų4566.8 Ų66.824%0.23635%0.347CS..Hα-helixtrans-72.2-32.6176.6-66.7176.8000112.6N42 N49 Q51N42-L45 HydrophobicContact CB-CB 4.05Å; N42-L45 HydrophobicContact CB-CD1 3.94Å; N42-L45 HydrophobicContact CB-CG 4.13Å; N42-L45 PolarHBondContact O-N 2.76Å; N42-L45 PolarHBondContact OD1-N 3.31Å; L45-N49 CarbonylContact O-C 3.09Å; L45-N49 WeakPolarHBondContact O-CA 3.39Å; L45-N49 WeakPolarHBondContact O-CB 3.33Å; L45-N49 PolarHBondContact O-N 3.32Å; L45-Q51 PolarHBondContact O-N 3.14Å
46I88.2Confident89.2Confident22 Ų2268.9 Ų68.911%0.11336%0.358CS..Hα-helixtrans-66-47.3175.6-68159.8000109.9F41 N42 P43 F50 L52 R54 L55F41-I46 HydrophobicContact CD2-CD1 3.71Å; F41-I46 HydrophobicContact CE2-CD1 3.65Å; F41-I46 HydrophobicContact CZ-CD1 4.49Å; N42-I46 WeakPolarHBondContact O-CD1 3.27Å; N42-I46 WeakPolarHBondContact O-CG1 3.42Å; N42-I46 PolarHBondContact O-N 2.93Å; P43-I46 PolarHBondContact O-N 3.45Å; I46-F50 WeakPolarHBondContact O-CA 3.22Å; I46-F50 PolarHBondContact O-N 3.31Å; I46-L52 HydrophobicContact CG2-CD2 4.4Å; I46-R54 HydrophobicContact CD1-CB 3.9Å; I46-R54 HydrophobicContact CG1-CB 3.87Å; I46-L55 HydrophobicContact CD1-CD2 3.75Å; I46-L55 HydrophobicContact CD1-CG 4.33Å; I46-L55 HydrophobicContact CG2-CD1 4.47Å; I46-L55 HydrophobicContact CG2-CD2 4.28Å; I46-L55 HydrophobicContact CG2-CG 4.36Å
47A88.6Confident89.4Confident67 Ų6767.1 Ų67.155%0.55435%0.346SS*.Hα-helixtrans-73.5-44.2-177.500000113P43P43-A47 WeakPolarHBondContact O-CB 3.46Å; P43-A47 PolarHBondContact O-N 2.89Å
48N88.8Confident89.6Confident121 Ų12159.9 Ų59.965%0.64731%0.314SS*.Hα-helixtrans-86.1-35.4-173-63.1-26.2000113S44S44-N48 WeakPolarHBondContact O-CB 3.28Å; S44-N48 VanDerWaalsContact O-CG 3.29Å; S44-N48 PolarHBondContact O-N 3.19Å; S44-N48 PolarHBondContact O-ND2 2.98Å
49N89.5Confident89.9Confident96 Ų9655.9 Ų55.951%0.51330%0.295SS..Hα-helixtrans-114.19.7-171.8-63.62.8000112.9L45 Q51L45-N49 CarbonylContact O-C 3.09Å; L45-N49 WeakPolarHBondContact O-CA 3.39Å; L45-N49 WeakPolarHBondContact O-CB 3.33Å; L45-N49 PolarHBondContact O-N 3.32Å; N49-Q51 HydrophobicContact CB-CG 3.95Å; N49-Q51 PolarHBondContact O-N 3.27Å; N49-Q51 VanDerWaalsContact O-N 3.11Å
50F89.6Confident90.2Very high157 Ų15756 Ų5669%0.68930%0.296SS*.  trans50.836-179.4-65.8-85.3000113.9I46 L52I46-F50 WeakPolarHBondContact O-CA 3.22Å; I46-F50 PolarHBondContact O-N 3.31Å; F50-L52 PolarHBondContact O-N 3.29Å
51Q90.7Very high90.3Very high37 Ų3754 Ų5417%0.17329%0.289CS..  trans-77.659.7178-59.8-163.6-14.100111.7L45 N49 W53 R54L45-Q51 PolarHBondContact O-N 3.14Å; N49-Q51 HydrophobicContact CB-CG 3.95Å; N49-Q51 PolarHBondContact O-N 3.27Å; N49-Q51 VanDerWaalsContact O-N 3.11Å; Q51-W53 HydrophobicContact CB-CD2 4.33Å; Q51-W53 HydrophobicContact CB-CE3 4.43Å; Q51-W53 HydrophobicContact CB-CH2 3.74Å; Q51-W53 HydrophobicContact CB-CZ2 3.58Å; Q51-W53 HydrophobicContact CB-CZ3 4.16Å; Q51-W53 HydrophobicContact CG-CH2 3.48Å; Q51-W53 VanDerWaalsContact CG-CH2 3.48Å; Q51-W53 HydrophobicContact CG-CZ2 3.52Å; Q51-W53 HydrophobicContact CG-CZ3 4.25Å; Q51-W53 PolarHBondContact O-N 3.33Å; Q51-R54 HydrophobicContact CB-CG 4.3Å; Q51-R54 WeakPolarHBondContact O-CB 3.45Å; Q51-R54 WeakPolarHBondContact O-CG 3.39Å; Q51-R54 PolarHBondContact O-N 3.25Å; Q51-R54 VanDerWaalsContact O-N 3.14Å; Q51-R54 VanDerWaalsContact OE1-CZ 3.28Å
52L90.6Very high90.3Very high102 Ų10254.3 Ų54.353%0.53429%0.29SS..THydrogen-bonded Turntrans-62.1-26.5-171.1-63.5179.6000113.6I46 F50 R54 L55I46-L52 HydrophobicContact CG2-CD2 4.4Å; F50-L52 PolarHBondContact O-N 3.29Å; L52-R54 PolarHBondContact O-N 2.88Å; L52-R54 VanDerWaalsContact O-N 3.13Å; L52-L55 HydrophobicContact CD2-CD1 4.29Å; L52-L55 VanDerWaalsContact O-CB 3.28Å; L52-L55 WeakPolarHBondContact O-CB 3.3Å; L52-L55 WeakPolarHBondContact O-CG 3.29Å; L52-L55 PolarHBondContact O-N 3Å
53W91.1Very high90.2Very high132 Ų13253.9 Ų53.950%0.529%0.293SS..THydrogen-bonded Turntrans-57.8-28.217760.485.9000112.5Q38 Q51 L55 V56 T57Q38-W53 PolarHBondContact O-NE1 2.81Å; Q51-W53 HydrophobicContact CB-CD2 4.33Å; Q51-W53 HydrophobicContact CB-CE3 4.43Å; Q51-W53 HydrophobicContact CB-CH2 3.74Å; Q51-W53 HydrophobicContact CB-CZ2 3.58Å; Q51-W53 HydrophobicContact CB-CZ3 4.16Å; Q51-W53 HydrophobicContact CG-CH2 3.48Å; Q51-W53 VanDerWaalsContact CG-CH2 3.48Å; Q51-W53 HydrophobicContact CG-CZ2 3.52Å; Q51-W53 HydrophobicContact CG-CZ3 4.25Å; Q51-W53 PolarHBondContact O-N 3.33Å; W53-L55 PolarHBondContact O-N 3.35Å; W53-L55 VanDerWaalsContact O-N 3.16Å; W53-V56 PolarHBondContact O-N 2.98Å; W53-T57 WeakPolarHBondContact O-CG2 3.4Å; W53-T57 PolarHBondContact O-N 3.33Å; W53-T57 PolarHBondContact O-OG1 3.01Å
54R92.5Very high90.1Very high11 Ų1155 Ų554%0.04230%0.302CS..Hα-helixtrans-59.5-25.5176.2-67.2-177.9180-84.5-2.3113.2F37 Q38 Y40 I46 Q51 L52 V56 T57 S58F37-R54 PolarHBondContact O-NH1 3.49Å; F37-R54 PolarHBondContact O-NH2 3.45Å; Q38-R54 VanDerWaalsContact C-NH1 3.34Å; Q38-R54 PolarHBondContact O-NH1 2.94Å; Y40-R54 WeakPolarHBondContact O-CD 3.45Å; Y40-R54 PolarHBondContact O-NH1 3.14Å; I46-R54 HydrophobicContact CD1-CB 3.9Å; I46-R54 HydrophobicContact CG1-CB 3.87Å; Q51-R54 HydrophobicContact CB-CG 4.3Å; Q51-R54 WeakPolarHBondContact O-CB 3.45Å; Q51-R54 WeakPolarHBondContact O-CG 3.39Å; Q51-R54 PolarHBondContact O-N 3.25Å; Q51-R54 VanDerWaalsContact O-N 3.14Å; Q51-R54 VanDerWaalsContact OE1-CZ 3.28Å; L52-R54 PolarHBondContact O-N 2.88Å; L52-R54 VanDerWaalsContact O-N 3.13Å; R54-V56 PolarHBondContact O-N 3.11Å; R54-T57 WeakPolarHBondContact CA-OG1 3.49Å; R54-S58 WeakPolarHBondContact O-CB 3.18Å; R54-S58 PolarHBondContact O-N 2.83Å; R54-S58 PolarHBondContact O-OG 3.3Å
55L90.7Very high90.1Very high52 Ų5256 Ų5627%0.27230%0.297SS..Hα-helixtrans-69.6-20.7175.5-61.7177.5000112.9F41 I46 L52 W53 F59 I107F41-L55 HydrophobicContact CD2-CD2 4.39Å; F41-L55 HydrophobicContact CE2-CD2 3.87Å; I46-L55 HydrophobicContact CD1-CD2 3.75Å; I46-L55 HydrophobicContact CD1-CG 4.33Å; I46-L55 HydrophobicContact CG2-CD1 4.47Å; I46-L55 HydrophobicContact CG2-CD2 4.28Å; I46-L55 HydrophobicContact CG2-CG 4.36Å; L52-L55 HydrophobicContact CD2-CD1 4.29Å; L52-L55 VanDerWaalsContact O-CB 3.28Å; L52-L55 WeakPolarHBondContact O-CB 3.3Å; L52-L55 WeakPolarHBondContact O-CG 3.29Å; L52-L55 PolarHBondContact O-N 3Å; W53-L55 PolarHBondContact O-N 3.35Å; W53-L55 VanDerWaalsContact O-N 3.16Å; L55-F59 WeakPolarHBondContact O-CD2 3.13Å; L55-F59 VanDerWaalsContact O-CE2 3.28Å; L55-F59 WeakPolarHBondContact O-CE2 3.5Å; L55-I107 HydrophobicContact CD2-CD1 3.97Å; L55-I107 HydrophobicContact CD2-CG1 4.38Å; L55-I107 HydrophobicContact CD2-CG2 4.41Å
56V92.1Very high90.1Very high91 Ų9157 Ų5755%0.55230%0.303SS*.Hα-helixtrans-107.1-45.6179.2179.60000110.3W53 R54 S58 F59 C60W53-V56 PolarHBondContact O-N 2.98Å; R54-V56 PolarHBondContact O-N 3.11Å; V56-S58 VanDerWaalsContact C-N 3.26Å; V56-S58 PolarHBondContact O-N 2.75Å; V56-F59 PolarHBondContact O-N 3.02Å; V56-F59 VanDerWaalsContact O-N 3.12Å; V56-C60 PolarHBondContact O-N 3.5Å; V56-C60 PolarHBondContact O-SG 2.94Å; V56-C60 VanDerWaalsContact O-SG 3.32Å
57T93.1Very high89.9Confident17 Ų1763.1 Ų63.110%0.10433%0.329CS..Hα-helixtrans-63.4-32.5-176.556.40000112.9L25 L39 W53 R54 F59 C60 F61L25-T57 HydrophobicContact CD1-CG2 4.19Å; L25-T57 HydrophobicContact CD2-CG2 4.26Å; L39-T57 HydrophobicContact CD2-CG2 3.77Å; L39-T57 PolarHBondContact O-OG1 2.73Å; W53-T57 WeakPolarHBondContact O-CG2 3.4Å; W53-T57 PolarHBondContact O-N 3.33Å; W53-T57 PolarHBondContact O-OG1 3.01Å; R54-T57 WeakPolarHBondContact CA-OG1 3.49Å; T57-F59 PolarHBondContact O-N 2.62Å; T57-C60 PolarHBondContact O-N 2.86Å; T57-C60 VanDerWaalsContact O-N 3.14Å; T57-F61 WeakPolarHBondContact O-CB 3.28Å; T57-F61 PolarHBondContact O-N 2.96Å
58S93Very high89.6Confident0 Ų062.1 Ų62.10%032%0.318CS..Hα-helixtrans-66.7-24.4178.660.90000113.5L39 R54 V56 L118 S119L39-S58 PolarHBondContact O-N 3.45Å; R54-S58 WeakPolarHBondContact O-CB 3.18Å; R54-S58 PolarHBondContact O-N 2.83Å; R54-S58 PolarHBondContact O-OG 3.3Å; V56-S58 VanDerWaalsContact C-N 3.26Å; V56-S58 PolarHBondContact O-N 2.75Å; S58-L118 PolarHBondContact O-N 3.09Å; S58-S119 PolarHBondContact O-N 3.02Å
59F93.9Very high89.5Confident15 Ų1556.5 Ų56.57%0.06629%0.288CS..Hα-helixtrans-85.6-24.1172.5-71.9-83.8000113.4L55 V56 T57 G103 T106 I107 L118 S119 L122L55-F59 WeakPolarHBondContact O-CD2 3.13Å; L55-F59 VanDerWaalsContact O-CE2 3.28Å; L55-F59 WeakPolarHBondContact O-CE2 3.5Å; V56-F59 PolarHBondContact O-N 3.02Å; V56-F59 VanDerWaalsContact O-N 3.12Å; T57-F59 PolarHBondContact O-N 2.62Å; F59-G103 WeakPolarHBondContact CZ-O 3.19Å; F59-T106 HydrophobicContact CE1-CG2 4.06Å; F59-T106 HydrophobicContact CZ-CG2 4.31Å; F59-I107 HydrophobicContact CE2-CD1 3.98Å; F59-I107 HydrophobicContact CE2-CG1 3.9Å; F59-I107 HydrophobicContact CZ-CD1 4.34Å; F59-I107 HydrophobicContact CZ-CG1 3.99Å; F59-L118 HydrophobicContact CD1-CB 3.6Å; F59-L118 HydrophobicContact CD2-CB 4.32Å; F59-L118 HydrophobicContact CD2-CD2 4.41Å; F59-L118 HydrophobicContact CE1-CB 3.57Å; F59-L118 HydrophobicContact CE1-CD2 3.86Å; F59-L118 HydrophobicContact CE1-CG 4.34Å; F59-L118 HydrophobicContact CE2-CB 4.29Å; F59-L118 HydrophobicContact CE2-CD2 3.66Å; F59-L118 HydrophobicContact CG-CB 4.03Å; F59-L118 HydrophobicContact CZ-CB 3.94Å; F59-L118 HydrophobicContact CZ-CD2 3.36Å; F59-L118 HydrophobicContact CZ-CG 4.29Å; F59-S119 WeakPolarHBondContact O-CA 3.49Å; F59-S119 WeakPolarHBondContact O-CB 3.47Å; F59-L122 HydrophobicContact CB-CD2 4.09Å; F59-L122 HydrophobicContact CD1-CB 3.97Å; F59-L122 HydrophobicContact CD1-CD1 4.14Å; F59-L122 HydrophobicContact CD1-CD2 4.04Å; F59-L122 HydrophobicContact CD1-CG 4.3Å; F59-L122 HydrophobicContact CE1-CD1 4.41Å; F59-L122 HydrophobicContact CG-CD2 4.47Å
60C93.4Very high89.5Confident7 Ų756.3 Ų56.35%0.04729%0.286CS..Hα-helixtrans-97.5-15-174-59.10000113T21 C22 L25 V56 T57T21-C60 HydrophobicContact CG2-CB 3.98Å; C22-C60 VanDerWaalsContact CA-O 3.22Å; C22-C60 WeakPolarHBondContact CA-O 3.33Å; C22-C60 WeakPolarHBondContact CB-O 3.41Å; C22-C60 VanDerWaalsContact SG-CA 3.6Å; C22-C60 PolarHBondContact SG-O 3.43Å; L25-C60 HydrophobicContact CD1-CB 3.47Å; L25-C60 VanDerWaalsContact CD1-CB 3.47Å; V56-C60 PolarHBondContact O-N 3.5Å; V56-C60 PolarHBondContact O-SG 2.94Å; V56-C60 VanDerWaalsContact O-SG 3.32Å; T57-C60 PolarHBondContact O-N 2.86Å; T57-C60 VanDerWaalsContact O-N 3.14Å
61F92.6Very high89.3Confident9 Ų952.3 Ų52.34%0.03927%0.268CS..  trans-94.2120-179.8-173.5-107000112.2V29 P36 L39 T57 G63 F117 S119V29-F61 HydrophobicContact CB-CE2 3.93Å; V29-F61 HydrophobicContact CB-CZ 4.45Å; V29-F61 HydrophobicContact CG1-CE2 4.01Å; V29-F61 HydrophobicContact CG1-CZ 4.03Å; V29-F61 HydrophobicContact CG2-CD2 4.28Å; V29-F61 HydrophobicContact CG2-CE2 3.68Å; V29-F61 HydrophobicContact CG2-CZ 4.26Å; P36-F61 HydrophobicContact CB-CE1 4.38Å; P36-F61 HydrophobicContact CB-CZ 4.42Å; L39-F61 HydrophobicContact CD1-CB 4.11Å; L39-F61 HydrophobicContact CD1-CD1 4.42Å; L39-F61 HydrophobicContact CD1-CD2 3.61Å; L39-F61 HydrophobicContact CD1-CE2 4.1Å; L39-F61 HydrophobicContact CD1-CG 3.78Å; T57-F61 WeakPolarHBondContact O-CB 3.28Å; T57-F61 PolarHBondContact O-N 2.96Å; F61-G63 VanDerWaalsContact CE1-CA 3.49Å; F61-F117 HydrophobicContact CB-CD1 4.43Å; F61-F117 HydrophobicContact CB-CE1 4.43Å; F61-F117 AromaticContact CD1-CD1 3.81Å; F61-F117 HydrophobicContact CD1-CD1 3.81Å; F61-F117 AromaticContact CD1-CE1 3.35Å; F61-F117 HydrophobicContact CD1-CE1 3.35Å; F61-F117 AromaticContact CD1-CZ 3.78Å; F61-F117 HydrophobicContact CD1-CZ 3.78Å; F61-F117 AromaticContact CE1-CE1 4Å; F61-F117 HydrophobicContact CE1-CE1 4Å; F61-F117 AromaticContact CE1-CZ 3.94Å; F61-F117 HydrophobicContact CE1-CZ 3.94Å; F61-F117 HydrophobicContact CG-CE1 4.29Å; F61-S119 VanDerWaalsContact O-CB 3.28Å; F61-S119 WeakPolarHBondContact O-CB 3.5Å; F61-S119 PolarHBondContact O-OG 3.23Å
62F89.3Confident89.1Confident13 Ų1351.7 Ų51.76%0.05727%0.266CS..  trans-103.66.5-179.8-75.9-87000113.9Y18 C22 F69 N72 I73 A76 T123Y18-F62 WeakPolarHBondContact OH-CZ 3.31Å; C22-F62 HydrophobicContact CB-CD2 4.34Å; C22-F62 HydrophobicContact CB-CE2 4.33Å; F62-F69 HydrophobicContact CB-CD2 3.55Å; F62-F69 HydrophobicContact CB-CE2 3.89Å; F62-N72 HydrophobicContact CD1-CB 3.49Å; F62-N72 VanDerWaalsContact CD1-CB 3.49Å; F62-N72 HydrophobicContact CE1-CB 3.79Å; F62-N72 HydrophobicContact CG-CB 4.34Å; F62-I73 HydrophobicContact CD2-CD1 4.29Å; F62-I73 HydrophobicContact CE2-CD1 4.15Å; F62-A76 HydrophobicContact CZ-CB 3.96Å; F62-T123 VanDerWaalsContact CE1-OG1 3.3Å; F62-T123 WeakPolarHBondContact CE1-OG1 3.3Å; F62-T123 VanDerWaalsContact CZ-OG1 3.29Å; F62-T123 WeakPolarHBondContact CZ-OG1 3.5Å
63G87.9Confident89.2Confident21 Ų2147.9 Ų47.922%0.21625%0.246CC..  trans98.4-164.5-176.900000113.8F61F61-G63 VanDerWaalsContact CE1-CA 3.49Å
64S85.3Confident89.2Confident67 Ų6746.1 Ų46.147%0.46925%0.246SC..SBendtrans-72160.6-178.756.40000112.7N66 F69S64-N66 PolarHBondContact O-N 3.31Å; S64-N66 PolarHBondContact O-ND2 2.87Å; S64-N66 PolarHBondContact OG-ND2 3.31Å; S64-F69 WeakPolarHBondContact O-CB 3.31Å
65F85.4Confident89.1Confident93 Ų9348.1 Ų48.141%0.40826%0.255SS..SBendtrans-63.799.1173-97.6-79.4000110.8F23 T26 V27 Q30 F69F23-F65 HydrophobicContact CD2-CZ 4.38Å; F23-F65 AromaticContact CE2-CZ 3.85Å; F23-F65 HydrophobicContact CE2-CZ 3.85Å; T26-F65 HydrophobicContact CG2-CD2 3.54Å; T26-F65 HydrophobicContact CG2-CE2 3.54Å; T26-F65 HydrophobicContact CG2-CG 4.34Å; T26-F65 HydrophobicContact CG2-CZ 4.32Å; V27-F65 HydrophobicContact CG2-CE2 4.13Å; Q30-F65 HydrophobicContact CG-CD2 4.49Å; F65-F69 AromaticContact CD1-CD1 3.93Å; F65-F69 HydrophobicContact CD1-CD1 3.93Å; F65-F69 AromaticContact CD1-CE1 3.95Å; F65-F69 HydrophobicContact CD1-CE1 3.95Å; F65-F69 HydrophobicContact CE1-CD1 4.06Å; F65-F69 AromaticContact CE1-CE1 3.6Å; F65-F69 HydrophobicContact CE1-CE1 3.6Å; F65-F69 HydrophobicContact CG-CD1 4.49Å; F65-F69 AromaticContact CZ-CE1 3.96Å; F65-F69 HydrophobicContact CZ-CE1 3.96Å
66N85.3Confident89.2Confident68 Ų6845.7 Ų45.736%0.36424%0.242SC..SBendtrans-145.7176.2173.463.554.5000109.6S64 S68 F69 L70S64-N66 PolarHBondContact O-N 3.31Å; S64-N66 PolarHBondContact O-ND2 2.87Å; S64-N66 PolarHBondContact OG-ND2 3.31Å; N66-S68 VanDerWaalsContact C-N 3.26Å; N66-S68 PolarHBondContact O-N 3.15Å; N66-S68 WeakPolarHBondContact OD1-CA 3.26Å; N66-S68 WeakPolarHBondContact OD1-CB 3.29Å; N66-S68 PolarHBondContact OD1-N 3.09Å; N66-F69 WeakPolarHBondContact O-CB 3.49Å; N66-F69 PolarHBondContact O-N 2.85Å; N66-F69 VanDerWaalsContact O-N 3.13Å; N66-F69 PolarHBondContact OD1-N 3.35Å; N66-L70 PolarHBondContact O-N 2.73Å; N66-L70 VanDerWaalsContact O-N 3.12Å
67F84.5Confident89.3Confident149 Ų14943.7 Ų43.765%0.65423%0.225SC*.Hα-helixtrans-62.3-33.4-178.1-169.7-126.8000113.1L70 F71F67-L70 PolarHBondContact O-N 3.18Å; F67-F71 AromaticContact CD1-CD2 3.96Å; F67-F71 HydrophobicContact CD1-CD2 3.96Å; F67-F71 AromaticContact CD1-CE2 3.58Å; F67-F71 HydrophobicContact CD1-CE2 3.58Å; F67-F71 HydrophobicContact CD2-CD2 4.45Å; F67-F71 HydrophobicContact CD2-CE2 4.22Å; F67-F71 AromaticContact CE1-CD2 3.88Å; F67-F71 HydrophobicContact CE1-CD2 3.88Å; F67-F71 AromaticContact CE1-CE2 3.03Å; F67-F71 HydrophobicContact CE1-CE2 3.03Å; F67-F71 AromaticContact CE1-CZ 3.74Å; F67-F71 HydrophobicContact CE1-CZ 3.74Å; F67-F71 HydrophobicContact CE2-CD2 4.3Å; F67-F71 AromaticContact CE2-CE2 3.69Å; F67-F71 HydrophobicContact CE2-CE2 3.69Å; F67-F71 AromaticContact CE2-CZ 3.88Å; F67-F71 HydrophobicContact CE2-CZ 3.88Å; F67-F71 HydrophobicContact CG-CD2 4.29Å; F67-F71 HydrophobicContact CG-CE2 4.17Å; F67-F71 HydrophobicContact CZ-CD2 4.03Å; F67-F71 HydrophobicContact CZ-CE1 4.43Å; F67-F71 AromaticContact CZ-CE2 3.06Å; F67-F71 HydrophobicContact CZ-CE2 3.06Å; F67-F71 AromaticContact CZ-CZ 3.28Å; F67-F71 HydrophobicContact CZ-CZ 3.28Å; F67-F71 WeakPolarHBondContact O-CD2 3.36Å; F67-F71 PolarHBondContact O-N 3.45Å; F67-F71 VanDerWaalsContact O-N 3.12Å
68S82.8Confident89.2Confident47 Ų4747.2 Ų47.233%0.32924%0.237SC..Hα-helixtrans-63.5-45.3173.4-171.90000110.8N66 L70 F71 N72N66-S68 VanDerWaalsContact C-N 3.26Å; N66-S68 PolarHBondContact O-N 3.15Å; N66-S68 WeakPolarHBondContact OD1-CA 3.26Å; N66-S68 WeakPolarHBondContact OD1-CB 3.29Å; N66-S68 PolarHBondContact OD1-N 3.09Å; S68-L70 VanDerWaalsContact C-N 3.34Å; S68-L70 PolarHBondContact O-N 2.91Å; S68-F71 PolarHBondContact O-N 3.23Å; S68-N72 WeakPolarHBondContact O-CB 3.35Å; S68-N72 PolarHBondContact O-N 3.48Å; S68-N72 PolarHBondContact O-ND2 3.08Å; S68-N72 PolarHBondContact OG-ND2 3.28Å
69F87.1Confident89.2Confident3 Ų347.6 Ų47.61%0.01324%0.238CC..Hα-helixtrans-55.4-47.8174.7168.1-94.1000111.9T26 F62 S64 F65 N66 F71 N72 I73T26-F69 HydrophobicContact CG2-CD2 4.22Å; T26-F69 HydrophobicContact CG2-CE1 4.34Å; T26-F69 HydrophobicContact CG2-CE2 3.77Å; T26-F69 HydrophobicContact CG2-CZ 3.83Å; T26-F69 WeakPolarHBondContact OG1-CE2 3.28Å; F62-F69 HydrophobicContact CB-CD2 3.55Å; F62-F69 HydrophobicContact CB-CE2 3.89Å; S64-F69 WeakPolarHBondContact O-CB 3.31Å; F65-F69 AromaticContact CD1-CD1 3.93Å; F65-F69 HydrophobicContact CD1-CD1 3.93Å; F65-F69 AromaticContact CD1-CE1 3.95Å; F65-F69 HydrophobicContact CD1-CE1 3.95Å; F65-F69 HydrophobicContact CE1-CD1 4.06Å; F65-F69 AromaticContact CE1-CE1 3.6Å; F65-F69 HydrophobicContact CE1-CE1 3.6Å; F65-F69 HydrophobicContact CG-CD1 4.49Å; F65-F69 AromaticContact CZ-CE1 3.96Å; F65-F69 HydrophobicContact CZ-CE1 3.96Å; N66-F69 WeakPolarHBondContact O-CB 3.49Å; N66-F69 PolarHBondContact O-N 2.85Å; N66-F69 VanDerWaalsContact O-N 3.13Å; N66-F69 PolarHBondContact OD1-N 3.35Å; F69-F71 VanDerWaalsContact C-N 3.35Å; F69-F71 PolarHBondContact O-N 3.15Å; F69-N72 PolarHBondContact O-N 2.88Å; F69-I73 HydrophobicContact CE1-CG2 4.2Å; F69-I73 HydrophobicContact CZ-CB 4.37Å; F69-I73 HydrophobicContact CZ-CG2 4.37Å; F69-I73 WeakPolarHBondContact O-CG2 3.41Å; F69-I73 PolarHBondContact O-N 3.28Å
70L88.7Confident89.2Confident91 Ų9146.9 Ų46.948%0.47624%0.235SC..Hα-helixtrans-60-42.4-179.9-69.5177.7000112.5N66 F67 S68 I73 L74N66-L70 PolarHBondContact O-N 2.73Å; N66-L70 VanDerWaalsContact O-N 3.12Å; F67-L70 PolarHBondContact O-N 3.18Å; S68-L70 VanDerWaalsContact C-N 3.34Å; S68-L70 PolarHBondContact O-N 2.91Å; L70-I73 WeakPolarHBondContact O-CG2 3.35Å; L70-L74 WeakPolarHBondContact O-CB 3.5Å; L70-L74 PolarHBondContact O-N 3.48Å
71F85.3Confident89.2Confident73 Ų7346.6 Ų46.632%0.3223%0.233SC..Hα-helixtrans-67.6-43.6175.8-81.2-55.4000112.9F67 S68 F69 I73 L74 F75F67-F71 AromaticContact CD1-CD2 3.96Å; F67-F71 HydrophobicContact CD1-CD2 3.96Å; F67-F71 AromaticContact CD1-CE2 3.58Å; F67-F71 HydrophobicContact CD1-CE2 3.58Å; F67-F71 HydrophobicContact CD2-CD2 4.45Å; F67-F71 HydrophobicContact CD2-CE2 4.22Å; F67-F71 AromaticContact CE1-CD2 3.88Å; F67-F71 HydrophobicContact CE1-CD2 3.88Å; F67-F71 AromaticContact CE1-CE2 3.03Å; F67-F71 HydrophobicContact CE1-CE2 3.03Å; F67-F71 AromaticContact CE1-CZ 3.74Å; F67-F71 HydrophobicContact CE1-CZ 3.74Å; F67-F71 HydrophobicContact CE2-CD2 4.3Å; F67-F71 AromaticContact CE2-CE2 3.69Å; F67-F71 HydrophobicContact CE2-CE2 3.69Å; F67-F71 AromaticContact CE2-CZ 3.88Å; F67-F71 HydrophobicContact CE2-CZ 3.88Å; F67-F71 HydrophobicContact CG-CD2 4.29Å; F67-F71 HydrophobicContact CG-CE2 4.17Å; F67-F71 HydrophobicContact CZ-CD2 4.03Å; F67-F71 HydrophobicContact CZ-CE1 4.43Å; F67-F71 AromaticContact CZ-CE2 3.06Å; F67-F71 HydrophobicContact CZ-CE2 3.06Å; F67-F71 AromaticContact CZ-CZ 3.28Å; F67-F71 HydrophobicContact CZ-CZ 3.28Å; F67-F71 WeakPolarHBondContact O-CD2 3.36Å; F67-F71 PolarHBondContact O-N 3.45Å; F67-F71 VanDerWaalsContact O-N 3.12Å; S68-F71 PolarHBondContact O-N 3.23Å; F69-F71 VanDerWaalsContact C-N 3.35Å; F69-F71 PolarHBondContact O-N 3.15Å; F71-I73 PolarHBondContact O-N 3.29Å; F71-L74 PolarHBondContact O-N 2.82Å; F71-F75 HydrophobicContact CB-CD2 4.41Å; F71-F75 HydrophobicContact CB-CE2 4.11Å; F71-F75 HydrophobicContact CD1-CE2 4.43Å; F71-F75 HydrophobicContact CD1-CZ 4.41Å; F71-F75 WeakPolarHBondContact O-CB 3.33Å; F71-F75 WeakPolarHBondContact O-CD2 3.2Å; F71-F75 WeakPolarHBondContact O-CG 3.2Å; F71-F75 PolarHBondContact O-N 3.09Å
72N87.5Confident89.1Confident25 Ų2546.4 Ų46.413%0.13423%0.232CC..Hα-helixtrans-63.7-44.2-179.3-75.9-68.8000111.5F62 S68 F69 F75 A76 H120F62-N72 HydrophobicContact CD1-CB 3.49Å; F62-N72 VanDerWaalsContact CD1-CB 3.49Å; F62-N72 HydrophobicContact CE1-CB 3.79Å; F62-N72 HydrophobicContact CG-CB 4.34Å; S68-N72 WeakPolarHBondContact O-CB 3.35Å; S68-N72 PolarHBondContact O-N 3.48Å; S68-N72 PolarHBondContact O-ND2 3.08Å; S68-N72 PolarHBondContact OG-ND2 3.28Å; F69-N72 PolarHBondContact O-N 2.88Å; N72-F75 PolarHBondContact O-N 3.49Å; N72-A76 WeakPolarHBondContact O-CB 3.33Å; N72-A76 PolarHBondContact O-N 3.36Å; N72-H120 VanDerWaalsContact CG-CE1 3.4Å; N72-H120 PolarHBondContact ND2-CE1 3.23Å; N72-H120 VanDerWaalsContact ND2-CE1 3.31Å; N72-H120 PolarHBondContact OD1-CE1 3.46Å; N72-H120 VanDerWaalsContact OD1-CE1 3.31Å; N72-H120 PolarHBondContact OD1-ND1 3.28Å; N72-H120 VanDerWaalsContact OD1-ND1 3.15Å
73I91.6Very high89.3Confident22 Ų2245.8 Ų45.811%0.11323%0.23CC..Hα-helixtrans-68-35.9177-163.166.2000111.8I19 C22 F62 F69 L70 F71 A76 Y77I19-I73 HydrophobicContact CD1-CD1 3.72Å; I19-I73 HydrophobicContact CD1-CG1 4.4Å; I19-I73 HydrophobicContact CG2-CD1 4.29Å; I19-I73 HydrophobicContact CG2-CG1 4.36Å; C22-I73 HydrophobicContact CB-CD1 3.49Å; C22-I73 VanDerWaalsContact CB-CD1 3.49Å; F62-I73 HydrophobicContact CD2-CD1 4.29Å; F62-I73 HydrophobicContact CE2-CD1 4.15Å; F69-I73 HydrophobicContact CE1-CG2 4.2Å; F69-I73 HydrophobicContact CZ-CB 4.37Å; F69-I73 HydrophobicContact CZ-CG2 4.37Å; F69-I73 WeakPolarHBondContact O-CG2 3.41Å; F69-I73 PolarHBondContact O-N 3.28Å; L70-I73 WeakPolarHBondContact O-CG2 3.35Å; F71-I73 PolarHBondContact O-N 3.29Å; I73-A76 PolarHBondContact O-N 3.37Å; I73-Y77 VanDerWaalsContact O-CB 3.3Å; I73-Y77 WeakPolarHBondContact O-CB 3.47Å; I73-Y77 PolarHBondContact O-N 2.97Å
74L91.2Very high89.5Confident94 Ų9444.8 Ų44.849%0.49222%0.219SC..Hα-helixtrans-64.3-45.6175.4177.965.2000111.5L70 F71 Y77 R78L70-L74 WeakPolarHBondContact O-CB 3.5Å; L70-L74 PolarHBondContact O-N 3.48Å; F71-L74 PolarHBondContact O-N 2.82Å; L74-Y77 PolarHBondContact O-N 2.89Å; L74-R78 VanDerWaalsContact O-CB 3.26Å; L74-R78 WeakPolarHBondContact O-CB 3.08Å; L74-R78 PolarHBondContact O-N 3Å
75F90.4Very high89.6Confident54 Ų5442.4 Ų42.424%0.23720%0.201CC..Hα-helixtrans-65.1-45175.9-67.9-42.1000111.1F71 N72 Y77 R78 Y79 T123 F156F71-F75 HydrophobicContact CB-CD2 4.41Å; F71-F75 HydrophobicContact CB-CE2 4.11Å; F71-F75 HydrophobicContact CD1-CE2 4.43Å; F71-F75 HydrophobicContact CD1-CZ 4.41Å; F71-F75 WeakPolarHBondContact O-CB 3.33Å; F71-F75 WeakPolarHBondContact O-CD2 3.2Å; F71-F75 WeakPolarHBondContact O-CG 3.2Å; F71-F75 PolarHBondContact O-N 3.09Å; N72-F75 PolarHBondContact O-N 3.49Å; F75-Y77 PolarHBondContact O-N 3.39Å; F75-R78 PolarHBondContact O-N 2.99Å; F75-Y79 HydrophobicContact CB-CD2 4.14Å; F75-Y79 HydrophobicContact CB-CE2 4.07Å; F75-Y79 AromaticContact CD1-CE2 3.87Å; F75-Y79 HydrophobicContact CD1-CE2 3.87Å; F75-Y79 HydrophobicContact CG-CE2 4.29Å; F75-Y79 WeakPolarHBondContact O-CD2 3.16Å; F75-Y79 PolarHBondContact O-N 3.34Å; F75-T123 HydrophobicContact CB-CG2 4.1Å; F75-F156 HydrophobicContact CD1-CE2 4.26Å; F75-F156 AromaticContact CD1-CZ 3.83Å; F75-F156 HydrophobicContact CD1-CZ 3.83Å; F75-F156 HydrophobicContact CD2-CE2 4.37Å; F75-F156 HydrophobicContact CD2-CZ 4.27Å; F75-F156 HydrophobicContact CE1-CE1 4.19Å; F75-F156 HydrophobicContact CE1-CE2 4.46Å; F75-F156 AromaticContact CE1-CZ 3.62Å; F75-F156 HydrophobicContact CE1-CZ 3.62Å; F75-F156 HydrophobicContact CE2-CE1 4.3Å; F75-F156 HydrophobicContact CE2-CZ 4.08Å; F75-F156 HydrophobicContact CG-CE2 4.23Å; F75-F156 HydrophobicContact CG-CZ 4.17Å; F75-F156 AromaticContact CZ-CE1 3.94Å; F75-F156 HydrophobicContact CZ-CE1 3.94Å; F75-F156 AromaticContact CZ-CZ 3.75Å; F75-F156 HydrophobicContact CZ-CZ 3.75Å
76A93.4Very high89.7Confident0 Ų040.5 Ų40.50%020%0.197CC..Hα-helixtrans-56.2-49.3175.300000111.3Y18 I19 F62 N72 I73 C80 T123Y18-A76 HydrophobicContact CE1-CB 4.14Å; I19-A76 HydrophobicContact CD1-CB 4.04Å; F62-A76 HydrophobicContact CZ-CB 3.96Å; N72-A76 WeakPolarHBondContact O-CB 3.33Å; N72-A76 PolarHBondContact O-N 3.36Å; I73-A76 PolarHBondContact O-N 3.37Å; A76-C80 WeakPolarHBondContact O-CB 3.23Å; A76-C80 PolarHBondContact O-N 3.37Å; A76-T123 HydrophobicContact CB-CG2 4.24Å
77Y93.8Very high89.7Confident49 Ų4942.5 Ų42.519%0.19220%0.199CC..Hα-helixtrans-59.3-51.2176.5170.4-108.6000111.8E7 T11 T15 I19 I73 L74 F75 R81E7-Y77 PolarHBondContact OE1-OH 3.5Å; T11-Y77 HydrophobicContact CG2-CE2 3.9Å; T15-Y77 HydrophobicContact CG2-CD2 3.98Å; T15-Y77 HydrophobicContact CG2-CE2 4.39Å; I19-Y77 HydrophobicContact CG1-CD2 4.1Å; I19-Y77 HydrophobicContact CG2-CD2 4.48Å; I73-Y77 VanDerWaalsContact O-CB 3.3Å; I73-Y77 WeakPolarHBondContact O-CB 3.47Å; I73-Y77 PolarHBondContact O-N 2.97Å; L74-Y77 PolarHBondContact O-N 2.89Å; F75-Y77 PolarHBondContact O-N 3.39Å; Y77-R81 VanDerWaalsContact O-CB 3.23Å; Y77-R81 WeakPolarHBondContact O-CB 2.93Å; Y77-R81 PolarHBondContact O-N 3.49Å; Y77-R81 PolarHBondContact OH-NH1 3.41Å
78R91.4Very high89.7Confident92 Ų9235.8 Ų35.835%0.34717%0.17SC..Hα-helixtrans-60-55-176.2179175.1178.1158.50.1111.9L74 F75 R81 M82 V222L74-R78 VanDerWaalsContact O-CB 3.26Å; L74-R78 WeakPolarHBondContact O-CB 3.08Å; L74-R78 PolarHBondContact O-N 3Å; F75-R78 PolarHBondContact O-N 2.99Å; R78-R81 PolarHBondContact O-N 3.27Å; R78-M82 HydrophobicContact CG-SD 3.81Å; R78-M82 WeakPolarHBondContact O-CB 3.22Å; R78-M82 WeakPolarHBondContact O-CG 3.12Å; R78-M82 PolarHBondContact O-N 3.44Å; R78-V222 VanDerWaalsContact NH2-CG2 3.35Å
79Y93.3Very high89.6Confident7 Ų735.1 Ų35.13%0.02717%0.165CC..Hα-helixtrans-74.4-31.6-175-63.6-67.8000112.4F75 L83 V127 W130 L152 F156F75-Y79 HydrophobicContact CB-CD2 4.14Å; F75-Y79 HydrophobicContact CB-CE2 4.07Å; F75-Y79 AromaticContact CD1-CE2 3.87Å; F75-Y79 HydrophobicContact CD1-CE2 3.87Å; F75-Y79 HydrophobicContact CG-CE2 4.29Å; F75-Y79 WeakPolarHBondContact O-CD2 3.16Å; F75-Y79 PolarHBondContact O-N 3.34Å; Y79-L83 WeakPolarHBondContact O-CB 3.28Å; Y79-L83 WeakPolarHBondContact O-CG 3.19Å; Y79-L83 PolarHBondContact O-N 3.36Å; Y79-V127 HydrophobicContact CD2-CB 4.39Å; Y79-V127 HydrophobicContact CD2-CG2 3.34Å; Y79-V127 HydrophobicContact CE2-CG2 3.63Å; Y79-V127 HydrophobicContact CG-CG2 3.91Å; Y79-W130 HydrophobicContact CD1-CB 4.19Å; Y79-W130 AromaticContact CD1-CD2 3.76Å; Y79-W130 HydrophobicContact CD1-CD2 3.76Å; Y79-W130 AromaticContact CD1-CE3 3.76Å; Y79-W130 HydrophobicContact CD1-CE3 3.76Å; Y79-W130 AromaticContact CD1-CG 3.94Å; Y79-W130 HydrophobicContact CD1-CG 3.94Å; Y79-W130 AromaticContact CE1-CD2 3.96Å; Y79-W130 HydrophobicContact CE1-CD2 3.96Å; Y79-W130 AromaticContact CE1-CE3 3.55Å; Y79-W130 HydrophobicContact CE1-CE3 3.55Å; Y79-W130 AromaticContact CE1-CZ3 3.88Å; Y79-W130 HydrophobicContact CE1-CZ3 3.88Å; Y79-L152 HydrophobicContact CE1-CD2 3.69Å; Y79-L152 WeakPolarHBondContact OH-CD2 3.35Å; Y79-F156 AromaticContact CE2-CE2 3.79Å; Y79-F156 HydrophobicContact CE2-CE2 3.79Å; Y79-F156 HydrophobicContact CE2-CZ 4.09Å
80C93.9Very high89.2Confident0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-62.3-50.7171.5-1680000110.7T15 A76 M82 L83 E84 F95 L126T15-C80 HydrophobicContact CG2-CB 4.02Å; T15-C80 PolarHBondContact OG1-SG 3.03Å; A76-C80 WeakPolarHBondContact O-CB 3.23Å; A76-C80 PolarHBondContact O-N 3.37Å; C80-M82 PolarHBondContact O-N 2.92Å; C80-L83 PolarHBondContact O-N 2.91Å; C80-E84 WeakPolarHBondContact O-CB 3.46Å; C80-E84 PolarHBondContact O-N 2.81Å; C80-F95 WeakPolarHBondContact O-CZ 3.48Å; C80-F95 VanDerWaalsContact SG-CZ 3.59Å; C80-L126 HydrophobicContact CB-CD1 4.07Å
81R91.6Very high89Confident2 Ų238.9 Ų38.91%0.00818%0.184CC..Hα-helixtrans-60-49.1178-175.7163.3170.6-160.75.6112.1E7 P12 T15 Y77 R78 L83 E84 E85 Y216 L219E7-R81 VanDerWaalsContact CD-NH1 3.3Å; E7-R81 IonicContact OE1-CZ 3.48Å; E7-R81 IonicContact OE1-NH1 3.6Å; E7-R81 PolarHBondContact OE1-NH1 3.41Å; E7-R81 IonicContact OE1-NH2 3.52Å; E7-R81 IonicContact OE2-CZ 3.78Å; E7-R81 IonicContact OE2-NH1 3.62Å; E7-R81 IonicContact OE2-NH2 3.76Å; E7-R81 PolarHBondContact OE2-NH2 2.7Å; P12-R81 HydrophobicContact CG-CG 4.11Å; T15-R81 HydrophobicContact CG2-CB 4.04Å; T15-R81 PolarHBondContact OG1-N 2.88Å; Y77-R81 VanDerWaalsContact O-CB 3.23Å; Y77-R81 WeakPolarHBondContact O-CB 2.93Å; Y77-R81 PolarHBondContact O-N 3.49Å; Y77-R81 PolarHBondContact OH-NH1 3.41Å; R78-R81 PolarHBondContact O-N 3.27Å; R81-L83 VanDerWaalsContact C-N 3.3Å; R81-L83 PolarHBondContact O-N 3.28Å; R81-E84 PolarHBondContact O-N 2.6Å; R81-E85 VanDerWaalsContact CG-CD 3.48Å; R81-E85 HydrophobicContact CG-CG 4.03Å; R81-E85 WeakPolarHBondContact CG-OE1 3.23Å; R81-E85 IonicContact CZ-OE1 2.89Å; R81-E85 IonicContact NE-OE1 3.25Å; R81-E85 PolarHBondContact NE-OE1 2.62Å; R81-E85 IonicContact NE-OE2 3.56Å; R81-E85 IonicContact NH2-OE1 2.83Å; R81-E85 WeakPolarHBondContact O-CB 3.31Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.04Å; R81-Y216 PolarHBondContact NE-OH 3.36Å; R81-Y216 PolarHBondContact NH2-OH 2.86Å; R81-L219 HydrophobicContact CB-CD1 4.44Å; R81-L219 HydrophobicContact CG-CD1 3.9Å; R81-L219 VanDerWaalsContact CZ-CG 3.47Å
82M90.9Very high89.2Confident5 Ų535.6 Ų35.63%0.02517%0.17CC..Hα-helixtrans-61.2-38.4-179.5-69.9177.285.700112R78 C80 T86 W130R78-M82 HydrophobicContact CG-SD 3.81Å; R78-M82 WeakPolarHBondContact O-CB 3.22Å; R78-M82 WeakPolarHBondContact O-CG 3.12Å; R78-M82 PolarHBondContact O-N 3.44Å; C80-M82 PolarHBondContact O-N 2.92Å; M82-T86 VanDerWaalsContact O-CB 3.23Å; M82-T86 WeakPolarHBondContact O-CB 3.4Å; M82-T86 PolarHBondContact O-N 3.42Å; M82-T86 PolarHBondContact O-OG1 2.72Å; M82-W130 HydrophobicContact CE-CZ2 3.41Å; M82-W130 VanDerWaalsContact CE-CZ2 3.41Å; M82-W130 HydrophobicContact SD-CZ2 4.2Å
83L92.9Very high89.3Confident0 Ų034.4 Ų34.40%016%0.164CC..Hα-helixtrans-66.4-48.3173.6-77.5168.1000111.5Y79 C80 R81 E85 W87 Y88 F95 M98 L126 V129 W130Y79-L83 WeakPolarHBondContact O-CB 3.28Å; Y79-L83 WeakPolarHBondContact O-CG 3.19Å; Y79-L83 PolarHBondContact O-N 3.36Å; C80-L83 PolarHBondContact O-N 2.91Å; R81-L83 VanDerWaalsContact C-N 3.3Å; R81-L83 PolarHBondContact O-N 3.28Å; L83-E85 PolarHBondContact O-N 3.29Å; L83-W87 WeakPolarHBondContact O-CB 2.95Å; L83-W87 PolarHBondContact O-N 3.12Å; L83-Y88 VanDerWaalsContact O-CD2 3.32Å; L83-Y88 WeakPolarHBondContact O-CD2 3.21Å; L83-Y88 PolarHBondContact O-N 2.7Å; L83-F95 HydrophobicContact CB-CE2 3.73Å; L83-F95 HydrophobicContact CB-CZ 4.32Å; L83-M98 HydrophobicContact CD1-CE 4.32Å; L83-L126 HydrophobicContact CD1-CB 4.24Å; L83-L126 HydrophobicContact CD1-CD2 3.72Å; L83-V129 HydrophobicContact CD1-CB 4.42Å; L83-V129 HydrophobicContact CD1-CG1 4.45Å; L83-V129 HydrophobicContact CD2-CG1 3.97Å; L83-W130 HydrophobicContact CD1-CB 4.24Å; L83-W130 HydrophobicContact CD2-CB 4Å; L83-W130 HydrophobicContact CG-CB 3.96Å
84E92.5Very high89.3Confident0 Ų034.8 Ų34.80%017%0.166CC..Hα-helixtrans-64.9-38-177.2-162.2173.9167.300112.5P12 P13 V14 T15 C80 R81 Y88 S89 F95P12-E84 HydrophobicContact CB-CB 3.91Å; P12-E84 HydrophobicContact CB-CG 3.57Å; P12-E84 VanDerWaalsContact CB-OE1 3.27Å; P12-E84 WeakPolarHBondContact CB-OE1 3.26Å; P12-E84 WeakPolarHBondContact CB-OE2 3.35Å; P12-E84 HydrophobicContact CG-CB 4.17Å; P12-E84 HydrophobicContact CG-CG 4.28Å; P13-E84 VanDerWaalsContact CD-OE1 3.26Å; P13-E84 WeakPolarHBondContact CD-OE1 3.37Å; V14-E84 WeakPolarHBondContact CB-OE1 3.08Å; V14-E84 WeakPolarHBondContact CB-OE2 3.26Å; V14-E84 PolarHBondContact N-OE1 3.22Å; V14-E84 PolarHBondContact N-OE2 3.18Å; T15-E84 WeakPolarHBondContact CB-OE2 3.19Å; T15-E84 PolarHBondContact N-OE2 2.9Å; T15-E84 PolarHBondContact OG1-OE2 3.43Å; C80-E84 WeakPolarHBondContact O-CB 3.46Å; C80-E84 PolarHBondContact O-N 2.81Å; R81-E84 PolarHBondContact O-N 2.6Å; E84-Y88 CarbonylContact O-C 3.58Å; E84-Y88 PolarHBondContact O-N 3.35Å; E84-S89 WeakPolarHBondContact O-CA 3.37Å; E84-S89 PolarHBondContact O-N 3.43Å; E84-F95 HydrophobicContact CB-CD1 4.02Å; E84-F95 HydrophobicContact CB-CE1 3.65Å; E84-F95 HydrophobicContact CB-CE2 4.4Å; E84-F95 HydrophobicContact CB-CZ 3.83Å; E84-F95 HydrophobicContact CG-CD1 3.7Å; E84-F95 HydrophobicContact CG-CE1 3.78Å; E84-F95 HydrophobicContact CG-CG 4.32Å; E84-F95 HydrophobicContact CG-CZ 4.43Å; E84-F95 WeakPolarHBondContact OE2-CE1 3.39Å
85E88.1Confident89.4Confident16 Ų1630.3 Ų30.38%0.07514%0.142CC..Hα-helixtrans-75.5-50.6178.1-69.7-178.417200112.7P12 R81 L83 S89 Y216 P218 L219P12-E85 WeakPolarHBondContact CD-OE1 3.36Å; P12-E85 HydrophobicContact CG-CG 3.42Å; P12-E85 VanDerWaalsContact CG-CG 3.42Å; R81-E85 VanDerWaalsContact CG-CD 3.48Å; R81-E85 HydrophobicContact CG-CG 4.03Å; R81-E85 WeakPolarHBondContact CG-OE1 3.23Å; R81-E85 IonicContact CZ-OE1 2.89Å; R81-E85 IonicContact NE-OE1 3.25Å; R81-E85 PolarHBondContact NE-OE1 2.62Å; R81-E85 IonicContact NE-OE2 3.56Å; R81-E85 IonicContact NH2-OE1 2.83Å; R81-E85 WeakPolarHBondContact O-CB 3.31Å; R81-E85 WeakPolarHBondContact O-CG 3.41Å; R81-E85 PolarHBondContact O-N 3.04Å; L83-E85 PolarHBondContact O-N 3.29Å; E85-S89 WeakPolarHBondContact O-CB 3.4Å; E85-Y216 WeakPolarHBondContact OE1-CE1 3.37Å; E85-Y216 PolarHBondContact OE1-OH 2.76Å; E85-Y216 PolarHBondContact OE2-OH 2.96Å; E85-P218 HydrophobicContact CB-CB 4.29Å; E85-L219 PolarHBondContact OE2-N 3.39Å
86T86.7Confident89.6Confident54 Ų5429 Ų2933%0.33114%0.138SC..Hα-helixtrans-75.2-45.2-173.9-59.70000111.7M82 E221M82-T86 VanDerWaalsContact O-CB 3.23Å; M82-T86 WeakPolarHBondContact O-CB 3.4Å; M82-T86 PolarHBondContact O-N 3.42Å; M82-T86 PolarHBondContact O-OG1 2.72Å; T86-E221 WeakPolarHBondContact CG2-OE1 3.2Å; T86-E221 PolarHBondContact OG1-OE1 2.79Å
87W85.6Confident89.5Confident109 Ų10931.1 Ų31.141%0.41315%0.149SC..THydrogen-bonded Turntrans-104.6-27.4-167.7-67.489.6000113.7L83 R133L83-W87 WeakPolarHBondContact O-CB 2.95Å; L83-W87 PolarHBondContact O-N 3.12Å; W87-R133 HydrophobicContact CD2-CB 4.48Å; W87-R133 HydrophobicContact CH2-CB 4.35Å; W87-R133 HydrophobicContact CZ2-CB 3.63Å; W87-R133 HydrophobicContact CZ2-CG 4.24Å; W87-R133 WeakPolarHBondContact CZ2-O 3.31Å
88Y85.3Confident89.6Confident8 Ų828.8 Ų28.83%0.03114%0.14CC..  trans-122.317.9-171.5-57.6-81.7000114.8L83 E84 T90 K91 T92 D94 F95 M98 R133 Y180L83-Y88 VanDerWaalsContact O-CD2 3.32Å; L83-Y88 WeakPolarHBondContact O-CD2 3.21Å; L83-Y88 PolarHBondContact O-N 2.7Å; E84-Y88 CarbonylContact O-C 3.58Å; E84-Y88 PolarHBondContact O-N 3.35Å; Y88-T90 PolarHBondContact O-N 3.47Å; Y88-K91 CarbonylContact O-C 3.59Å; Y88-K91 PolarHBondContact O-N 3.01Å; Y88-T92 PolarHBondContact O-N 2.95Å; Y88-D94 HydrophobicContact CD1-CB 3.77Å; Y88-D94 HydrophobicContact CE1-CB 3.73Å; Y88-F95 HydrophobicContact CD1-CB 3.93Å; Y88-F95 HydrophobicContact CD2-CB 4Å; Y88-F95 AromaticContact CD2-CD2 3.31Å; Y88-F95 HydrophobicContact CD2-CD2 3.31Å; Y88-F95 HydrophobicContact CD2-CE2 4.03Å; Y88-F95 AromaticContact CD2-CG 3.98Å; Y88-F95 HydrophobicContact CD2-CG 3.98Å; Y88-F95 AromaticContact CE2-CD2 3.58Å; Y88-F95 HydrophobicContact CE2-CD2 3.58Å; Y88-F95 HydrophobicContact CE2-CE2 4.24Å; Y88-F95 HydrophobicContact CG-CB 3.63Å; Y88-F95 AromaticContact CG-CD2 3.89Å; Y88-F95 HydrophobicContact CG-CD2 3.89Å; Y88-F95 HydrophobicContact CG-CG 4.1Å; Y88-M98 HydrophobicContact CE2-SD 4.39Å; Y88-R133 VanDerWaalsContact CE2-NH1 3.29Å; Y88-R133 VanDerWaalsContact CZ-NH1 3.3Å; Y88-R133 PolarHBondContact OH-NH1 3.3Å; Y88-R133 PolarHBondContact OH-NH2 2.89Å; Y88-Y180 PolarHBondContact OH-OH 2.89Å
89S79.3Confident89.8Confident34 Ų3426 Ų2624%0.23813%0.131CC..THydrogen-bonded Turntrans-48.9-43.1-174.1-169.90000113.9E84 E85E84-S89 WeakPolarHBondContact O-CA 3.37Å; E84-S89 PolarHBondContact O-N 3.43Å; E85-S89 WeakPolarHBondContact O-CB 3.4Å
90T79Confident89.8Confident73 Ų7330 Ų3045%0.44815%0.151SC..THydrogen-bonded Turntrans-106.1-2.2178.2560000113.8Y88 I212Y88-T90 PolarHBondContact O-N 3.47Å; T90-I212 HydrophobicContact CG2-CD1 3.4Å; T90-I212 VanDerWaalsContact CG2-CD1 3.4Å; T90-I212 HydrophobicContact CG2-CG1 3.78Å
91K85.9Confident89.9Confident100 Ų10032 Ų3244%0.43516%0.161SC..  trans-125.349.7-172.7-60.3-179.3-172.5170.50110.5Y88 A93 D94 F95Y88-K91 CarbonylContact O-C 3.59Å; Y88-K91 PolarHBondContact O-N 3.01Å; K91-A93 PolarHBondContact O-N 3.36Å; K91-A93 VanDerWaalsContact O-N 3.17Å; K91-D94 HydrophobicContact CB-CB 4.19Å; K91-D94 WeakPolarHBondContact CD-OD2 3.44Å; K91-D94 WeakPolarHBondContact O-CB 3.27Å; K91-D94 PolarHBondContact O-N 2.97Å; K91-F95 PolarHBondContact O-N 3.07Å
92T88.7Confident90.2Very high4 Ų432 Ų323%0.02516%0.16CC..Hα-helixtrans-56.3-32.2179.351.40000111.8P13 Y88 D94 F95 V96 F207 N208P13-T92 HydrophobicContact CG-CG2 4.45Å; Y88-T92 PolarHBondContact O-N 2.95Å; T92-D94 VanDerWaalsContact C-N 3.32Å; T92-D94 PolarHBondContact O-N 3.22Å; T92-F95 WeakPolarHBondContact O-CB 3.36Å; T92-F95 PolarHBondContact O-N 3.46Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 2.96Å; T92-F207 WeakPolarHBondContact OG1-CB 3.26Å; T92-F207 PolarHBondContact OG1-O 3.34Å; T92-N208 PolarHBondContact N-OD1 3.1Å; T92-N208 PolarHBondContact OG1-OD1 3.4Å
93A90.3Very high90.4Very high0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-61-38.7174.700000112.9K91 F95 V96 M97 T199 M203 K204 F207 N208K91-A93 PolarHBondContact O-N 3.36Å; K91-A93 VanDerWaalsContact O-N 3.17Å; A93-F95 VanDerWaalsContact C-N 3.31Å; A93-V96 PolarHBondContact O-N 2.89Å; A93-M97 WeakPolarHBondContact O-CG 3.44Å; A93-M97 PolarHBondContact O-N 3.01Å; A93-T199 HydrophobicContact CB-CG2 3.67Å; A93-M203 HydrophobicContact CB-CB 4.11Å; A93-M203 WeakPolarHBondContact CB-O 3.46Å; A93-K204 HydrophobicContact CB-CB 4.47Å; A93-K204 HydrophobicContact CB-CG 4.07Å; A93-F207 HydrophobicContact CB-CB 4.1Å; A93-N208 VanDerWaalsContact CB-OD1 3.29Å; A93-N208 WeakPolarHBondContact CB-OD1 3.46Å; A93-N208 PolarHBondContact N-OD1 2.87Å
94D91.3Very high90.5Very high30 Ų3035.7 Ų35.716%0.1619%0.185CC..Hα-helixtrans-70.1-32.6177.8-61.6-15.2000110.6Y88 K91 T92 M97 M98 T199Y88-D94 HydrophobicContact CD1-CB 3.77Å; Y88-D94 HydrophobicContact CE1-CB 3.73Å; K91-D94 HydrophobicContact CB-CB 4.19Å; K91-D94 WeakPolarHBondContact CD-OD2 3.44Å; K91-D94 WeakPolarHBondContact O-CB 3.27Å; K91-D94 PolarHBondContact O-N 2.97Å; T92-D94 VanDerWaalsContact C-N 3.32Å; T92-D94 PolarHBondContact O-N 3.22Å; D94-M97 PolarHBondContact O-N 2.67Å; D94-M98 PolarHBondContact O-N 3.21Å; D94-T199 WeakPolarHBondContact OD1-CB 3.33Å; D94-T199 PolarHBondContact OD1-OG1 3.26Å
95F93.5Very high90.7Very high0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-67.5-44.7173.1-167.1-127.3000112.3V14 C80 L83 E84 Y88 K91 T92 A93 M97 M98 F99V14-F95 HydrophobicContact CB-CD1 3.69Å; V14-F95 HydrophobicContact CB-CE1 3.87Å; V14-F95 HydrophobicContact CG1-CD1 3.66Å; V14-F95 HydrophobicContact CG1-CE1 3.74Å; V14-F95 HydrophobicContact CG2-CD1 4.07Å; C80-F95 WeakPolarHBondContact O-CZ 3.48Å; C80-F95 VanDerWaalsContact SG-CZ 3.59Å; L83-F95 HydrophobicContact CB-CE2 3.73Å; L83-F95 HydrophobicContact CB-CZ 4.32Å; E84-F95 HydrophobicContact CB-CD1 4.02Å; E84-F95 HydrophobicContact CB-CE1 3.65Å; E84-F95 HydrophobicContact CB-CE2 4.4Å; E84-F95 HydrophobicContact CB-CZ 3.83Å; E84-F95 HydrophobicContact CG-CD1 3.7Å; E84-F95 HydrophobicContact CG-CE1 3.78Å; E84-F95 HydrophobicContact CG-CG 4.32Å; E84-F95 HydrophobicContact CG-CZ 4.43Å; E84-F95 WeakPolarHBondContact OE2-CE1 3.39Å; Y88-F95 HydrophobicContact CD1-CB 3.93Å; Y88-F95 HydrophobicContact CD2-CB 4Å; Y88-F95 AromaticContact CD2-CD2 3.31Å; Y88-F95 HydrophobicContact CD2-CD2 3.31Å; Y88-F95 HydrophobicContact CD2-CE2 4.03Å; Y88-F95 AromaticContact CD2-CG 3.98Å; Y88-F95 HydrophobicContact CD2-CG 3.98Å; Y88-F95 AromaticContact CE2-CD2 3.58Å; Y88-F95 HydrophobicContact CE2-CD2 3.58Å; Y88-F95 HydrophobicContact CE2-CE2 4.24Å; Y88-F95 HydrophobicContact CG-CB 3.63Å; Y88-F95 AromaticContact CG-CD2 3.89Å; Y88-F95 HydrophobicContact CG-CD2 3.89Å; Y88-F95 HydrophobicContact CG-CG 4.1Å; K91-F95 PolarHBondContact O-N 3.07Å; T92-F95 WeakPolarHBondContact O-CB 3.36Å; T92-F95 PolarHBondContact O-N 3.46Å; A93-F95 VanDerWaalsContact C-N 3.31Å; F95-M97 VanDerWaalsContact C-N 3.26Å; F95-M97 PolarHBondContact O-N 3.29Å; F95-M98 HydrophobicContact CD2-CE 3.62Å; F95-M98 HydrophobicContact CD2-SD 4.46Å; F95-M98 HydrophobicContact CE2-CE 3.34Å; F95-M98 HydrophobicContact CZ-CE 4.26Å; F95-M98 VanDerWaalsContact O-CB 3.31Å; F95-M98 WeakPolarHBondContact O-CB 3.37Å; F95-M98 PolarHBondContact O-N 3.19Å; F95-M98 VanDerWaalsContact O-N 3.14Å; F95-F99 HydrophobicContact CD1-CE2 4.23Å; F95-F99 HydrophobicContact CD2-CE2 4.43Å; F95-F99 HydrophobicContact CE1-CD2 4.38Å; F95-F99 AromaticContact CE1-CE2 3.66Å; F95-F99 HydrophobicContact CE1-CE2 3.66Å; F95-F99 HydrophobicContact CE1-CZ 4.47Å; F95-F99 AromaticContact CE2-CE2 3.91Å; F95-F99 HydrophobicContact CE2-CE2 3.91Å; F95-F99 HydrophobicContact CZ-CD2 4.41Å; F95-F99 AromaticContact CZ-CE2 3.52Å; F95-F99 HydrophobicContact CZ-CE2 3.52Å; F95-F99 HydrophobicContact CZ-CZ 4.32Å; F95-F99 WeakPolarHBondContact O-CD2 3.48Å; F95-F99 PolarHBondContact O-N 2.87Å; F95-F99 VanDerWaalsContact O-N 3.14Å
96V93.5Very high91Very high25 Ų2536.4 Ų36.415%0.15219%0.189CC..Hα-helixtrans-61.4-39.2174177.30000110.4V14 T92 A93 M98 F99 L100 M203 F207V14-V96 HydrophobicContact CG1-CG2 4.46Å; V14-V96 HydrophobicContact CG2-CG2 3.83Å; T92-V96 WeakPolarHBondContact O-CG2 3.49Å; T92-V96 PolarHBondContact O-N 2.96Å; A93-V96 PolarHBondContact O-N 2.89Å; V96-M98 VanDerWaalsContact C-N 3.33Å; V96-M98 PolarHBondContact O-N 3.03Å; V96-F99 WeakPolarHBondContact O-CB 3.34Å; V96-F99 PolarHBondContact O-N 3.49Å; V96-F99 VanDerWaalsContact O-N 3.16Å; V96-L100 HydrophobicContact CG1-CD1 4.26Å; V96-L100 HydrophobicContact CG1-CG 4.4Å; V96-L100 WeakPolarHBondContact O-CG 3.5Å; V96-L100 PolarHBondContact O-N 3.21Å; V96-M203 HydrophobicContact CB-CE 3.78Å; V96-M203 HydrophobicContact CG1-CE 3.52Å; V96-F207 HydrophobicContact CG1-CE2 4.22Å; V96-F207 HydrophobicContact CG1-CZ 4.44Å; V96-F207 HydrophobicContact CG2-CD1 4.44Å; V96-F207 HydrophobicContact CG2-CD2 4.39Å; V96-F207 HydrophobicContact CG2-CE1 4.42Å; V96-F207 HydrophobicContact CG2-CE2 4.36Å; V96-F207 HydrophobicContact CG2-CG 4.44Å; V96-F207 HydrophobicContact CG2-CZ 4.38Å
97M92.9Very high91.4Very high46 Ų4635.5 Ų35.523%0.22718%0.182CC..Hα-helixtrans-63-37174.5-78.6-60.2-6900113.3A93 D94 F95 F99 L100 F101 T199 P200 M203A93-M97 WeakPolarHBondContact O-CG 3.44Å; A93-M97 PolarHBondContact O-N 3.01Å; D94-M97 PolarHBondContact O-N 2.67Å; F95-M97 VanDerWaalsContact C-N 3.26Å; F95-M97 PolarHBondContact O-N 3.29Å; M97-F99 VanDerWaalsContact C-N 3.34Å; M97-L100 PolarHBondContact O-N 2.96Å; M97-L100 HydrophobicContact SD-CD1 3.97Å; M97-F101 WeakPolarHBondContact O-CB 3.44Å; M97-F101 PolarHBondContact O-N 3.38Å; M97-T199 HydrophobicContact CG-CG2 3.63Å; M97-T199 WeakPolarHBondContact CG-OG1 3.28Å; M97-P200 HydrophobicContact SD-CG 4.36Å; M97-M203 HydrophobicContact CG-CE 3.56Å; M97-M203 HydrophobicContact CG-SD 3.9Å; M97-M203 HydrophobicContact SD-CE 3.6Å; M97-M203 HydrophobicContact SD-SD 3.31Å
98M95Very high91.8Very high0 Ų034.7 Ų34.70%019%0.185CC..Hα-helixtrans-57.9-47.6171-179-172.678.600110.9L83 Y88 D94 F95 V96 L100 F101 C102 M125 L126 V129 Y180L83-M98 HydrophobicContact CD1-CE 4.32Å; Y88-M98 HydrophobicContact CE2-SD 4.39Å; D94-M98 PolarHBondContact O-N 3.21Å; F95-M98 HydrophobicContact CD2-CE 3.62Å; F95-M98 HydrophobicContact CD2-SD 4.46Å; F95-M98 HydrophobicContact CE2-CE 3.34Å; F95-M98 HydrophobicContact CZ-CE 4.26Å; F95-M98 VanDerWaalsContact O-CB 3.31Å; F95-M98 WeakPolarHBondContact O-CB 3.37Å; F95-M98 PolarHBondContact O-N 3.19Å; F95-M98 VanDerWaalsContact O-N 3.14Å; V96-M98 VanDerWaalsContact C-N 3.33Å; V96-M98 PolarHBondContact O-N 3.03Å; M98-L100 PolarHBondContact O-N 3.4Å; M98-F101 PolarHBondContact O-N 3.04Å; M98-C102 VanDerWaalsContact O-CB 3.3Å; M98-C102 WeakPolarHBondContact O-CB 3.44Å; M98-C102 PolarHBondContact O-N 2.95Å; M98-C102 PolarHBondContact O-SG 2.84Å; M98-C102 VanDerWaalsContact O-SG 3.38Å; M98-M125 HydrophobicContact CE-CE 4.32Å; M98-L126 HydrophobicContact CE-CD2 3.5Å; M98-L126 VanDerWaalsContact CE-CD2 3.5Å; M98-V129 HydrophobicContact SD-CG1 4.31Å; M98-Y180 HydrophobicContact CB-CE1 4.19Å; M98-Y180 HydrophobicContact CB-CE2 3.8Å; M98-Y180 HydrophobicContact CG-CD1 3.91Å; M98-Y180 HydrophobicContact CG-CD2 4.08Å; M98-Y180 HydrophobicContact CG-CE1 3.5Å; M98-Y180 VanDerWaalsContact CG-CE1 3.5Å; M98-Y180 HydrophobicContact CG-CE2 3.7Å; M98-Y180 HydrophobicContact CG-CG 4.19Å; M98-Y180 VanDerWaalsContact CG-CZ 3.4Å; M98-Y180 HydrophobicContact SD-CD1 4.18Å; M98-Y180 HydrophobicContact SD-CE1 3.64Å
99F95Very high92.2Very high34 Ų3435.8 Ų35.815%0.14919%0.191CC..Hα-helixtrans-60.8-42.8176.6-88.3-104.4000112.2Y18 F95 V96 M97 G103 L122 L126Y18-F99 HydrophobicContact CD2-CE1 4.43Å; Y18-F99 HydrophobicContact CG-CE1 4.38Å; F95-F99 HydrophobicContact CD1-CE2 4.23Å; F95-F99 HydrophobicContact CD2-CE2 4.43Å; F95-F99 HydrophobicContact CE1-CD2 4.38Å; F95-F99 AromaticContact CE1-CE2 3.66Å; F95-F99 HydrophobicContact CE1-CE2 3.66Å; F95-F99 HydrophobicContact CE1-CZ 4.47Å; F95-F99 AromaticContact CE2-CE2 3.91Å; F95-F99 HydrophobicContact CE2-CE2 3.91Å; F95-F99 HydrophobicContact CZ-CD2 4.41Å; F95-F99 AromaticContact CZ-CE2 3.52Å; F95-F99 HydrophobicContact CZ-CE2 3.52Å; F95-F99 HydrophobicContact CZ-CZ 4.32Å; F95-F99 WeakPolarHBondContact O-CD2 3.48Å; F95-F99 PolarHBondContact O-N 2.87Å; F95-F99 VanDerWaalsContact O-N 3.14Å; V96-F99 WeakPolarHBondContact O-CB 3.34Å; V96-F99 PolarHBondContact O-N 3.49Å; V96-F99 VanDerWaalsContact O-N 3.16Å; M97-F99 VanDerWaalsContact C-N 3.34Å; F99-G103 WeakPolarHBondContact O-CA 3.27Å; F99-G103 PolarHBondContact O-N 3.4Å; F99-L122 HydrophobicContact CD1-CD1 4.25Å; F99-L122 HydrophobicContact CD1-CD2 4.29Å; F99-L122 HydrophobicContact CE1-CD1 4.37Å; F99-L122 HydrophobicContact CE1-CD2 3.94Å; F99-L122 HydrophobicContact CE1-CG 4.4Å; F99-L126 HydrophobicContact CE2-CD2 4.08Å; F99-L126 HydrophobicContact CZ-CD1 4.27Å; F99-L126 HydrophobicContact CZ-CD2 4.08Å
100L94.8Very high92.9Very high89 Ų8934.2 Ų34.247%0.46618%0.18SC..Hα-helixtrans-65.4-45.3178-69175.6000111.8V96 M97 M98 T104 M203V96-L100 HydrophobicContact CG1-CD1 4.26Å; V96-L100 HydrophobicContact CG1-CG 4.4Å; V96-L100 WeakPolarHBondContact O-CG 3.5Å; V96-L100 PolarHBondContact O-N 3.21Å; M97-L100 PolarHBondContact O-N 2.96Å; M97-L100 HydrophobicContact SD-CD1 3.97Å; M98-L100 PolarHBondContact O-N 3.4Å; L100-T104 WeakPolarHBondContact O-CB 3.4Å; L100-T104 WeakPolarHBondContact O-CG2 3.28Å; L100-T104 PolarHBondContact O-N 3.17Å; L100-T104 PolarHBondContact O-OG1 2.96Å; L100-M203 HydrophobicContact CD1-CE 3.97Å; L100-M203 HydrophobicContact CD1-SD 4.22Å
101F95.6Very high93.5Very high44 Ų4434.7 Ų34.719%0.19318%0.179CC..Hα-helixtrans-64.4-53.4178175.9-95.5000111.6M97 M98 G103 T104 L105 L179 Y180 L183 L197M97-F101 WeakPolarHBondContact O-CB 3.44Å; M97-F101 PolarHBondContact O-N 3.38Å; M98-F101 PolarHBondContact O-N 3.04Å; F101-G103 VanDerWaalsContact C-N 3.3Å; F101-G103 PolarHBondContact O-N 3.08Å; F101-T104 PolarHBondContact O-N 3.01Å; F101-T104 PolarHBondContact O-OG1 3.01Å; F101-L105 HydrophobicContact CE1-CD2 4.32Å; F101-L105 HydrophobicContact CZ-CD2 4.46Å; F101-L105 WeakPolarHBondContact O-CB 3.49Å; F101-L105 PolarHBondContact O-N 3.31Å; F101-L179 HydrophobicContact CZ-CD2 4.48Å; F101-Y180 AromaticContact CD1-CD2 3.6Å; F101-Y180 HydrophobicContact CD1-CD2 3.6Å; F101-Y180 HydrophobicContact CD1-CG 4.34Å; F101-Y180 HydrophobicContact CE1-CD2 4.14Å; F101-Y180 HydrophobicContact CG-CD2 4.37Å; F101-L183 HydrophobicContact CE1-CD1 4.35Å; F101-L183 HydrophobicContact CE2-CD1 4.25Å; F101-L183 HydrophobicContact CZ-CD1 3.59Å; F101-L197 HydrophobicContact CD1-CD1 4.34Å; F101-L197 HydrophobicContact CD2-CD1 4.49Å; F101-L197 HydrophobicContact CD2-CD2 3.41Å; F101-L197 VanDerWaalsContact CD2-CD2 3.41Å; F101-L197 HydrophobicContact CE2-CD2 3.67Å; F101-L197 HydrophobicContact CG-CD1 4.31Å; F101-L197 HydrophobicContact CG-CD2 3.94Å; F101-L197 HydrophobicContact CZ-CD2 4.39Å
102C96.5Very high93.7Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-63.5-39.1179.6-67.90000111.3M98 T106 M125 V176M98-C102 VanDerWaalsContact O-CB 3.3Å; M98-C102 WeakPolarHBondContact O-CB 3.44Å; M98-C102 PolarHBondContact O-N 2.95Å; M98-C102 PolarHBondContact O-SG 2.84Å; M98-C102 VanDerWaalsContact O-SG 3.38Å; C102-T106 WeakPolarHBondContact O-CB 3.41Å; C102-T106 PolarHBondContact O-N 3.38Å; C102-T106 PolarHBondContact O-OG1 3.32Å; C102-M125 HydrophobicContact CB-CE 3.98Å; C102-M125 HydrophobicContact CB-CG 4.2Å; C102-M125 HydrophobicContact CB-SD 4Å; C102-V176 HydrophobicContact CB-CG1 3.75Å
103G95.7Very high93.7Very high9 Ų940.8 Ų40.89%0.09321%0.211CC..Hα-helixtrans-64.9-48.6177.600000112.5F59 F99 F101 T106 I107F59-G103 WeakPolarHBondContact CZ-O 3.19Å; F99-G103 WeakPolarHBondContact O-CA 3.27Å; F99-G103 PolarHBondContact O-N 3.4Å; F101-G103 VanDerWaalsContact C-N 3.3Å; F101-G103 PolarHBondContact O-N 3.08Å; G103-T106 PolarHBondContact O-N 3.17Å; G103-I107 WeakPolarHBondContact O-CD1 3.36Å; G103-I107 VanDerWaalsContact O-CG1 3.27Å; G103-I107 WeakPolarHBondContact O-CG1 3.42Å; G103-I107 PolarHBondContact O-N 2.99Å
104T95Very high93.4Very high75 Ų7547.1 Ų47.146%0.4625%0.245SC..Hα-helixtrans-62.6-43.8176.850.60000112L100 F101 T106 I107 I108L100-T104 WeakPolarHBondContact O-CB 3.4Å; L100-T104 WeakPolarHBondContact O-CG2 3.28Å; L100-T104 PolarHBondContact O-N 3.17Å; L100-T104 PolarHBondContact O-OG1 2.96Å; F101-T104 PolarHBondContact O-N 3.01Å; F101-T104 PolarHBondContact O-OG1 3.01Å; T104-T106 VanDerWaalsContact C-N 3.35Å; T104-T106 PolarHBondContact O-N 3.28Å; T104-I107 PolarHBondContact O-N 3.28Å; T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.47Å; T104-I108 PolarHBondContact O-N 2.82Å
105L96.1Very high93.1Very high30 Ų3046.2 Ų46.216%0.15724%0.24CC..Hα-helixtrans-61-43.7174.8-177.263.5000111.8F101 I107 I108 I109 V176 L179F101-L105 HydrophobicContact CE1-CD2 4.32Å; F101-L105 HydrophobicContact CZ-CD2 4.46Å; F101-L105 WeakPolarHBondContact O-CB 3.49Å; F101-L105 PolarHBondContact O-N 3.31Å; L105-I107 PolarHBondContact O-N 3.12Å; L105-I108 PolarHBondContact O-N 3.46Å; L105-I109 HydrophobicContact CD1-CD1 4.4Å; L105-I109 HydrophobicContact CG-CD1 4.12Å; L105-I109 WeakPolarHBondContact O-CG1 3.23Å; L105-I109 PolarHBondContact O-N 3.36Å; L105-V176 HydrophobicContact CD2-CB 4.3Å; L105-V176 HydrophobicContact CD2-CG1 4.18Å; L105-V176 HydrophobicContact CD2-CG2 3.97Å; L105-V176 HydrophobicContact CG-CG2 4.16Å; L105-L179 HydrophobicContact CD1-CD2 4.38Å; L105-L179 HydrophobicContact CD2-CB 4.35Å; L105-L179 HydrophobicContact CD2-CD2 3.6Å; L105-L179 HydrophobicContact CD2-CG 4.46Å
106T96.1Very high92.8Very high0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-63.4-41.2176.7-55.50000111.6F59 C102 G103 T104 I109 A110 L118 V121F59-T106 HydrophobicContact CE1-CG2 4.06Å; F59-T106 HydrophobicContact CZ-CG2 4.31Å; C102-T106 WeakPolarHBondContact O-CB 3.41Å; C102-T106 PolarHBondContact O-N 3.38Å; C102-T106 PolarHBondContact O-OG1 3.32Å; G103-T106 PolarHBondContact O-N 3.17Å; T104-T106 VanDerWaalsContact C-N 3.35Å; T104-T106 PolarHBondContact O-N 3.28Å; T106-I109 PolarHBondContact O-N 3.18Å; T106-A110 VanDerWaalsContact O-CB 3.26Å; T106-A110 WeakPolarHBondContact O-CB 3.4Å; T106-A110 PolarHBondContact O-N 2.93Å; T106-L118 HydrophobicContact CG2-CB 4.27Å; T106-L118 HydrophobicContact CG2-CD2 3.78Å; T106-L118 HydrophobicContact CG2-CG 4.04Å; T106-V121 HydrophobicContact CG2-CB 3.95Å; T106-V121 HydrophobicContact CG2-CG1 3.6Å; T106-V121 HydrophobicContact CG2-CG2 4.23Å
107I94.2Very high92.6Very high35 Ų3552.8 Ų52.818%0.17927%0.271CS..Hα-helixtrans-59.5-47.8175.4-73.1158.3000110.1F41 L55 F59 G103 T104 L105 I109 A110 L111 L118F41-I107 HydrophobicContact CE2-CG1 4.32Å; F41-I107 HydrophobicContact CE2-CG2 3.94Å; F41-I107 HydrophobicContact CZ-CG2 3.96Å; L55-I107 HydrophobicContact CD2-CD1 3.97Å; L55-I107 HydrophobicContact CD2-CG1 4.38Å; L55-I107 HydrophobicContact CD2-CG2 4.41Å; F59-I107 HydrophobicContact CE2-CD1 3.98Å; F59-I107 HydrophobicContact CE2-CG1 3.9Å; F59-I107 HydrophobicContact CZ-CD1 4.34Å; F59-I107 HydrophobicContact CZ-CG1 3.99Å; G103-I107 WeakPolarHBondContact O-CD1 3.36Å; G103-I107 VanDerWaalsContact O-CG1 3.27Å; G103-I107 WeakPolarHBondContact O-CG1 3.42Å; G103-I107 PolarHBondContact O-N 2.99Å; T104-I107 PolarHBondContact O-N 3.28Å; L105-I107 PolarHBondContact O-N 3.12Å; I107-I109 VanDerWaalsContact C-N 3.33Å; I107-I109 PolarHBondContact O-N 3.26Å; I107-A110 WeakPolarHBondContact O-CB 3.26Å; I107-A110 PolarHBondContact O-N 2.71Å; I107-A110 VanDerWaalsContact O-N 3.14Å; I107-L111 WeakPolarHBondContact O-CG 3.26Å; I107-L111 PolarHBondContact O-N 3.3Å; I107-L111 VanDerWaalsContact O-N 3.09Å; I107-L118 HydrophobicContact CG1-CD2 4.15Å
108I94.1Very high92.6Very high93 Ų9350.6 Ų50.648%0.47726%0.26SS..Hα-helixtrans-57.8-47.4178.2-67.6164.4000110.2T104 L105 A110 L111 F112T104-I108 VanDerWaalsContact O-CG1 3.31Å; T104-I108 WeakPolarHBondContact O-CG1 3.47Å; T104-I108 PolarHBondContact O-N 2.82Å; L105-I108 PolarHBondContact O-N 3.46Å; I108-A110 VanDerWaalsContact C-N 3.34Å; I108-A110 PolarHBondContact O-N 3.31Å; I108-L111 WeakPolarHBondContact O-CB 3.42Å; I108-L111 PolarHBondContact O-N 2.8Å; I108-F112 HydrophobicContact CG2-CE2 4.17Å; I108-F112 WeakPolarHBondContact O-CD2 3.1Å; I108-F112 WeakPolarHBondContact O-CE2 2.86Å
109I94.6Very high92.5Very high30 Ų3050.7 Ų50.715%0.15426%0.261CS..Hα-helixtrans-63-41.1177.2-65.3167.3000111L105 T106 I107 L111 F112 V113 I172 F175 V176L105-I109 HydrophobicContact CD1-CD1 4.4Å; L105-I109 HydrophobicContact CG-CD1 4.12Å; L105-I109 WeakPolarHBondContact O-CG1 3.23Å; L105-I109 PolarHBondContact O-N 3.36Å; T106-I109 PolarHBondContact O-N 3.18Å; I107-I109 VanDerWaalsContact C-N 3.33Å; I107-I109 PolarHBondContact O-N 3.26Å; I109-L111 PolarHBondContact O-N 3.27Å; I109-F112 PolarHBondContact O-N 2.86Å; I109-V113 HydrophobicContact CG2-CG2 3.97Å; I109-V113 PolarHBondContact O-N 3.19Å; I109-V113 VanDerWaalsContact O-N 3.12Å; I109-I172 HydrophobicContact CD1-CG2 4.13Å; I109-I172 HydrophobicContact CG2-CD1 3.94Å; I109-I172 HydrophobicContact CG2-CG1 4.16Å; I109-I172 HydrophobicContact CG2-CG2 3.91Å; I109-F175 HydrophobicContact CD1-CD1 4.07Å; I109-F175 HydrophobicContact CD1-CE1 4.2Å; I109-V176 HydrophobicContact CD1-CG2 3.8Å
110A92.6Very high92.4Very high1 Ų151.4 Ų51.41%0.00827%0.265CS..Hα-helixtrans-63.3-26.7-179.400000113.3F41 T106 I107 I108 F112 N114 M115 L118F41-A110 HydrophobicContact CD1-CB 4.03Å; F41-A110 HydrophobicContact CE1-CB 3.76Å; F41-A110 HydrophobicContact CZ-CB 4.38Å; T106-A110 VanDerWaalsContact O-CB 3.26Å; T106-A110 WeakPolarHBondContact O-CB 3.4Å; T106-A110 PolarHBondContact O-N 2.93Å; I107-A110 WeakPolarHBondContact O-CB 3.26Å; I107-A110 PolarHBondContact O-N 2.71Å; I107-A110 VanDerWaalsContact O-N 3.14Å; I108-A110 VanDerWaalsContact C-N 3.34Å; I108-A110 PolarHBondContact O-N 3.31Å; A110-F112 PolarHBondContact O-N 3.42Å; A110-N114 PolarHBondContact O-N 3.5Å; A110-N114 VanDerWaalsContact O-N 3.16Å; A110-M115 HydrophobicContact CB-CB 4.49Å; A110-M115 HydrophobicContact CB-CE 3.82Å; A110-L118 HydrophobicContact CB-CD2 4.19Å; A110-L118 HydrophobicContact CB-CG 4.5Å
111L91.5Very high92.4Very high83 Ų8347.2 Ų47.244%0.43524%0.243SC..Hα-helixtrans-61.7-29.1172.1-64.3176.2000112.9F41 P43 I107 I108 I109F41-L111 HydrophobicContact CE1-CD2 4.14Å; F41-L111 HydrophobicContact CZ-CD2 3.84Å; F41-L111 HydrophobicContact CZ-CG 4.48Å; P43-L111 HydrophobicContact CB-CD2 3.4Å; P43-L111 VanDerWaalsContact CB-CD2 3.4Å; P43-L111 HydrophobicContact CG-CD2 4.1Å; I107-L111 WeakPolarHBondContact O-CG 3.26Å; I107-L111 PolarHBondContact O-N 3.3Å; I107-L111 VanDerWaalsContact O-N 3.09Å; I108-L111 WeakPolarHBondContact O-CB 3.42Å; I108-L111 PolarHBondContact O-N 2.8Å; I109-L111 PolarHBondContact O-N 3.27Å
112F91.5Very high92.4Very high165 Ų16545.3 Ų45.372%0.72423%0.234SC*.Hα-helixtrans-97.5-29.6-178.3-59.4-79.1000113.1I108 I109 A110I108-F112 HydrophobicContact CG2-CE2 4.17Å; I108-F112 WeakPolarHBondContact O-CD2 3.1Å; I108-F112 WeakPolarHBondContact O-CE2 2.86Å; I109-F112 PolarHBondContact O-N 2.86Å; A110-F112 PolarHBondContact O-N 3.42Å
113V87.9Confident92.3Very high67 Ų6745.7 Ų45.741%0.40624%0.237SC..Hα-helixtrans-96.8-5.2-173.6-1740000112.9I109 M115 I172I109-V113 HydrophobicContact CG2-CG2 3.97Å; I109-V113 PolarHBondContact O-N 3.19Å; I109-V113 VanDerWaalsContact O-N 3.12Å; V113-M115 HydrophobicContact CB-CG 4.25Å; V113-M115 HydrophobicContact CG1-CG 3.99Å; V113-M115 HydrophobicContact CG1-SD 4.39Å; V113-M115 PolarHBondContact O-N 3.14Å; V113-I172 HydrophobicContact CB-CD1 4.44Å; V113-I172 HydrophobicContact CG1-CD1 4.09Å; V113-I172 HydrophobicContact CG2-CD1 4.26Å
114N84.1Confident92.3Very high133 Ų13345.6 Ų45.671%0.71123%0.234SC*.THydrogen-bonded Turntrans53.551.3-179.3-68.4-43.2000113.4A110A110-N114 PolarHBondContact O-N 3.5Å; A110-N114 VanDerWaalsContact O-N 3.16Å
115M84.2Confident92.4Very high12 Ų1242 Ų426%0.05921%0.212CC..  trans-88.5136.4176.2-63-174.3-61.500111.7A110 V113 V121 V169 I172A110-M115 HydrophobicContact CB-CB 4.49Å; A110-M115 HydrophobicContact CB-CE 3.82Å; V113-M115 HydrophobicContact CB-CG 4.25Å; V113-M115 HydrophobicContact CG1-CG 3.99Å; V113-M115 HydrophobicContact CG1-SD 4.39Å; V113-M115 PolarHBondContact O-N 3.14Å; M115-V121 HydrophobicContact CE-CG2 4.26Å; M115-V121 HydrophobicContact SD-CG2 4.31Å; M115-V169 HydrophobicContact SD-CG2 4.32Å; M115-I172 HydrophobicContact CE-CD1 3.79Å; M115-I172 HydrophobicContact CE-CG2 4.44Å; M115-I172 HydrophobicContact SD-CD1 3.54Å; M115-I172 VanDerWaalsContact SD-CD1 3.54Å
116L87.6Confident92.4Very high99 Ų9940.6 Ų40.652%0.51821%0.205SC..SBendtrans-85.4-39.7-178.9-60.3176.9000113Y40 F41Y40-L116 CarbonylContact C-O 3.59Å; Y40-L116 WeakPolarHBondContact CA-O 3.38Å; Y40-L116 WeakPolarHBondContact CB-O 3.12Å; Y40-L116 HydrophobicContact CD2-CD2 3.68Å; Y40-L116 HydrophobicContact CE2-CD2 4.1Å; Y40-L116 HydrophobicContact CG-CD2 4.43Å; F41-L116 PolarHBondContact N-O 3.4Å
117F89.7Confident92.3Very high64 Ų6440.6 Ų40.628%0.28121%0.205SC..  trans-128.2136-178.2-63.7-72000110.5L39 F61L39-F117 HydrophobicContact CB-CE1 4.44Å; F61-F117 HydrophobicContact CB-CD1 4.43Å; F61-F117 HydrophobicContact CB-CE1 4.43Å; F61-F117 AromaticContact CD1-CD1 3.81Å; F61-F117 HydrophobicContact CD1-CD1 3.81Å; F61-F117 AromaticContact CD1-CE1 3.35Å; F61-F117 HydrophobicContact CD1-CE1 3.35Å; F61-F117 AromaticContact CD1-CZ 3.78Å; F61-F117 HydrophobicContact CD1-CZ 3.78Å; F61-F117 AromaticContact CE1-CE1 4Å; F61-F117 HydrophobicContact CE1-CE1 4Å; F61-F117 AromaticContact CE1-CZ 3.94Å; F61-F117 HydrophobicContact CE1-CZ 3.94Å; F61-F117 HydrophobicContact CG-CE1 4.29Å
118L93.1Very high92.5Very high0 Ų039.5 Ų39.50%020%0.198CC..  trans-111.1-1.9-170.6-70.769.9000111.9F41 S58 F59 T106 I107 A110 H120 V121 L122F41-L118 HydrophobicContact CB-CD1 3.46Å; F41-L118 VanDerWaalsContact CB-CD1 3.46Å; F41-L118 HydrophobicContact CD1-CD1 4.35Å; F41-L118 HydrophobicContact CD2-CD1 4.45Å; F41-L118 HydrophobicContact CG-CD1 3.86Å; S58-L118 PolarHBondContact O-N 3.09Å; F59-L118 HydrophobicContact CD1-CB 3.6Å; F59-L118 HydrophobicContact CD2-CB 4.32Å; F59-L118 HydrophobicContact CD2-CD2 4.41Å; F59-L118 HydrophobicContact CE1-CB 3.57Å; F59-L118 HydrophobicContact CE1-CD2 3.86Å; F59-L118 HydrophobicContact CE1-CG 4.34Å; F59-L118 HydrophobicContact CE2-CB 4.29Å; F59-L118 HydrophobicContact CE2-CD2 3.66Å; F59-L118 HydrophobicContact CG-CB 4.03Å; F59-L118 HydrophobicContact CZ-CB 3.94Å; F59-L118 HydrophobicContact CZ-CD2 3.36Å; F59-L118 HydrophobicContact CZ-CG 4.29Å; T106-L118 HydrophobicContact CG2-CB 4.27Å; T106-L118 HydrophobicContact CG2-CD2 3.78Å; T106-L118 HydrophobicContact CG2-CG 4.04Å; I107-L118 HydrophobicContact CG1-CD2 4.15Å; A110-L118 HydrophobicContact CB-CD2 4.19Å; A110-L118 HydrophobicContact CB-CG 4.5Å; L118-H120 PolarHBondContact O-N 3.27Å; L118-V121 WeakPolarHBondContact O-CB 3.42Å; L118-V121 PolarHBondContact O-N 3.49Å; L118-L122 PolarHBondContact O-N 3.2Å; L118-L122 VanDerWaalsContact O-N 3.07Å
119S93.4Very high92.6Very high1 Ų135 Ų351%0.00718%0.176CC..Hα-helixtrans-59.6-42.6-178.751.10000113.8S58 F59 F61 L122 T123S58-S119 PolarHBondContact O-N 3.02Å; F59-S119 WeakPolarHBondContact O-CA 3.49Å; F59-S119 WeakPolarHBondContact O-CB 3.47Å; F61-S119 VanDerWaalsContact O-CB 3.28Å; F61-S119 WeakPolarHBondContact O-CB 3.5Å; F61-S119 PolarHBondContact O-OG 3.23Å; S119-L122 PolarHBondContact O-N 2.93Å; S119-T123 PolarHBondContact O-N 3.05Å; S119-T123 PolarHBondContact O-OG1 3.45Å
120H92.4Very high92.7Very high50 Ų5033.6 Ų33.623%0.23117%0.168CC..Hα-helixtrans-66.9-40.9176.1-71.2-88000112.2N72 L118 L122 T123 M124 V169N72-H120 VanDerWaalsContact CG-CE1 3.4Å; N72-H120 PolarHBondContact ND2-CE1 3.23Å; N72-H120 VanDerWaalsContact ND2-CE1 3.31Å; N72-H120 PolarHBondContact OD1-CE1 3.46Å; N72-H120 VanDerWaalsContact OD1-CE1 3.31Å; N72-H120 PolarHBondContact OD1-ND1 3.28Å; N72-H120 VanDerWaalsContact OD1-ND1 3.15Å; L118-H120 PolarHBondContact O-N 3.27Å; H120-L122 VanDerWaalsContact C-N 3.27Å; H120-L122 PolarHBondContact O-N 3.49Å; H120-T123 PolarHBondContact O-N 3.46Å; H120-M124 VanDerWaalsContact O-CB 3.31Å; H120-M124 WeakPolarHBondContact O-CB 3.31Å; H120-M124 PolarHBondContact O-N 3.11Å; H120-V169 HydrophobicContact CB-CG1 3.43Å; H120-V169 VanDerWaalsContact CB-CG1 3.43Å
121V95.2Very high92.8Very high0 Ų033.6 Ų33.60%017%0.168CC..Hα-helixtrans-58.1-44174.6-174.40000110.4T106 M115 L118 M124 M125 V169 I172T106-V121 HydrophobicContact CG2-CB 3.95Å; T106-V121 HydrophobicContact CG2-CG1 3.6Å; T106-V121 HydrophobicContact CG2-CG2 4.23Å; M115-V121 HydrophobicContact CE-CG2 4.26Å; M115-V121 HydrophobicContact SD-CG2 4.31Å; L118-V121 WeakPolarHBondContact O-CB 3.42Å; L118-V121 PolarHBondContact O-N 3.49Å; V121-M124 PolarHBondContact O-N 3.35Å; V121-M125 PolarHBondContact O-N 3.26Å; V121-V169 HydrophobicContact CG2-CG1 3.65Å; V121-I172 HydrophobicContact CG1-CB 4.4Å; V121-I172 HydrophobicContact CG1-CG2 3.77Å
122L95.1Very high93Very high4 Ų433.6 Ų33.62%0.02116%0.162CC..Hα-helixtrans-65.7-41.6178.9-168.473.3000112.4Y18 F59 F99 L118 S119 H120 M124 M125 L126Y18-L122 HydrophobicContact CE2-CD2 3.71Å; Y18-L122 WeakPolarHBondContact OH-CD2 3.37Å; F59-L122 HydrophobicContact CB-CD2 4.09Å; F59-L122 HydrophobicContact CD1-CB 3.97Å; F59-L122 HydrophobicContact CD1-CD1 4.14Å; F59-L122 HydrophobicContact CD1-CD2 4.04Å; F59-L122 HydrophobicContact CD1-CG 4.3Å; F59-L122 HydrophobicContact CE1-CD1 4.41Å; F59-L122 HydrophobicContact CG-CD2 4.47Å; F99-L122 HydrophobicContact CD1-CD1 4.25Å; F99-L122 HydrophobicContact CD1-CD2 4.29Å; F99-L122 HydrophobicContact CE1-CD1 4.37Å; F99-L122 HydrophobicContact CE1-CD2 3.94Å; F99-L122 HydrophobicContact CE1-CG 4.4Å; L118-L122 PolarHBondContact O-N 3.2Å; L118-L122 VanDerWaalsContact O-N 3.07Å; S119-L122 PolarHBondContact O-N 2.93Å; H120-L122 VanDerWaalsContact C-N 3.27Å; H120-L122 PolarHBondContact O-N 3.49Å; L122-M124 VanDerWaalsContact C-N 3.31Å; L122-M124 PolarHBondContact O-N 3.36Å; L122-M125 HydrophobicContact CD1-CE 3.19Å; L122-M125 HydrophobicContact CD1-CG 4.38Å; L122-M125 HydrophobicContact CG-CE 3.89Å; L122-M125 VanDerWaalsContact O-CG 3.26Å; L122-M125 WeakPolarHBondContact O-CG 3.5Å; L122-M125 PolarHBondContact O-N 2.81Å; L122-L126 VanDerWaalsContact O-CG 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.21Å; L122-L126 PolarHBondContact O-N 3.32Å; L122-L126 VanDerWaalsContact O-N 3.11Å
123T94.5Very high93.2Very high9 Ų926.8 Ų26.86%0.05513%0.132CC..Hα-helixtrans-63.2-44.3175.7-56.80000110.5F62 F75 A76 S119 H120 M125 L126 V127F62-T123 VanDerWaalsContact CE1-OG1 3.3Å; F62-T123 WeakPolarHBondContact CE1-OG1 3.3Å; F62-T123 VanDerWaalsContact CZ-OG1 3.29Å; F62-T123 WeakPolarHBondContact CZ-OG1 3.5Å; F75-T123 HydrophobicContact CB-CG2 4.1Å; A76-T123 HydrophobicContact CB-CG2 4.24Å; S119-T123 PolarHBondContact O-N 3.05Å; S119-T123 PolarHBondContact O-OG1 3.45Å; H120-T123 PolarHBondContact O-N 3.46Å; T123-M125 PolarHBondContact O-N 3.32Å; T123-L126 WeakPolarHBondContact O-CB 3.25Å; T123-L126 PolarHBondContact O-N 3.16Å; T123-V127 VanDerWaalsContact O-CG2 3.23Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 2.68Å
124M95.4Very high93.4Very high7 Ų724.2 Ų24.23%0.03412%0.116CC..Hα-helixtrans-66.5-37.2-179.1-164.969.2-143.900112.7H120 V121 L122 V127 Y128 P153 F156 D170 I174H120-M124 VanDerWaalsContact O-CB 3.31Å; H120-M124 WeakPolarHBondContact O-CB 3.31Å; H120-M124 PolarHBondContact O-N 3.11Å; V121-M124 PolarHBondContact O-N 3.35Å; L122-M124 VanDerWaalsContact C-N 3.31Å; L122-M124 PolarHBondContact O-N 3.36Å; M124-V127 HydrophobicContact CE-CG1 4.43Å; M124-V127 PolarHBondContact O-N 2.98Å; M124-Y128 WeakPolarHBondContact O-CB 3.41Å; M124-Y128 PolarHBondContact O-N 3.01Å; M124-P153 HydrophobicContact CE-CB 3.38Å; M124-P153 HydrophobicContact CE-CG 4.46Å; M124-P153 WeakPolarHBondContact CE-O 3.32Å; M124-F156 HydrophobicContact CE-CB 4.22Å; M124-F156 HydrophobicContact SD-CB 4.23Å; M124-D170 HydrophobicContact CG-CB 4.33Å; M124-D170 WeakPolarHBondContact CG-O 3.45Å; M124-D170 HydrophobicContact SD-CB 4.43Å; M124-I174 HydrophobicContact CE-CD1 4.11Å; M124-I174 HydrophobicContact CE-CG1 3.78Å; M124-I174 HydrophobicContact CG-CG1 4.15Å
125M96.3Very high93.8Very high0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-66.8-38.5173.778.873.2-174.900111.9M98 C102 V121 L122 T123 Y128 V129 G173 V176M98-M125 HydrophobicContact CE-CE 4.32Å; C102-M125 HydrophobicContact CB-CE 3.98Å; C102-M125 HydrophobicContact CB-CG 4.2Å; C102-M125 HydrophobicContact CB-SD 4Å; V121-M125 PolarHBondContact O-N 3.26Å; L122-M125 HydrophobicContact CD1-CE 3.19Å; L122-M125 HydrophobicContact CD1-CG 4.38Å; L122-M125 HydrophobicContact CG-CE 3.89Å; L122-M125 VanDerWaalsContact O-CG 3.26Å; L122-M125 WeakPolarHBondContact O-CG 3.5Å; L122-M125 PolarHBondContact O-N 2.81Å; T123-M125 PolarHBondContact O-N 3.32Å; M125-Y128 WeakPolarHBondContact O-CB 3.46Å; M125-Y128 PolarHBondContact O-N 3.48Å; M125-V129 WeakPolarHBondContact O-CG2 3.41Å; M125-V129 PolarHBondContact O-N 3.04Å; M125-G173 WeakPolarHBondContact CA-O 3.12Å; M125-G173 WeakPolarHBondContact CB-O 3.4Å; M125-V176 HydrophobicContact CB-CB 4.46Å; M125-V176 HydrophobicContact CB-CG1 4.15Å; M125-V176 HydrophobicContact CG-CG1 4.4Å
126L96.3Very high94.2Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-62.6-46.8175.8-69.7168.6000110.8C80 L83 M98 F99 L122 T123 Y128 V129 W130C80-L126 HydrophobicContact CB-CD1 4.07Å; L83-L126 HydrophobicContact CD1-CB 4.24Å; L83-L126 HydrophobicContact CD1-CD2 3.72Å; M98-L126 HydrophobicContact CE-CD2 3.5Å; M98-L126 VanDerWaalsContact CE-CD2 3.5Å; F99-L126 HydrophobicContact CE2-CD2 4.08Å; F99-L126 HydrophobicContact CZ-CD1 4.27Å; F99-L126 HydrophobicContact CZ-CD2 4.08Å; L122-L126 VanDerWaalsContact O-CG 3.28Å; L122-L126 WeakPolarHBondContact O-CG 3.21Å; L122-L126 PolarHBondContact O-N 3.32Å; L122-L126 VanDerWaalsContact O-N 3.11Å; T123-L126 WeakPolarHBondContact O-CB 3.25Å; T123-L126 PolarHBondContact O-N 3.16Å; L126-Y128 VanDerWaalsContact C-N 3.28Å; L126-Y128 PolarHBondContact O-N 2.89Å; L126-V129 PolarHBondContact O-N 3.49Å; L126-W130 WeakPolarHBondContact O-CB 3.4Å; L126-W130 PolarHBondContact O-N 2.98Å
127V95.6Very high94.3Very high0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-55.4-47.6174.51740000109.9Y79 T123 M124 S131 L152 P153 F156Y79-V127 HydrophobicContact CD2-CB 4.39Å; Y79-V127 HydrophobicContact CD2-CG2 3.34Å; Y79-V127 HydrophobicContact CE2-CG2 3.63Å; Y79-V127 HydrophobicContact CG-CG2 3.91Å; T123-V127 VanDerWaalsContact O-CG2 3.23Å; T123-V127 WeakPolarHBondContact O-CG2 3.49Å; T123-V127 PolarHBondContact O-N 2.68Å; M124-V127 HydrophobicContact CE-CG1 4.43Å; M124-V127 PolarHBondContact O-N 2.98Å; V127-S131 WeakPolarHBondContact O-CB 3.33Å; V127-S131 PolarHBondContact O-N 3.28Å; V127-S131 PolarHBondContact O-OG 3.47Å; V127-L152 HydrophobicContact CG1-CD2 3.75Å; V127-L152 HydrophobicContact CG1-CG 3.97Å; V127-P153 HydrophobicContact CG1-CG 4.22Å; V127-F156 HydrophobicContact CB-CD2 4.42Å; V127-F156 HydrophobicContact CB-CE2 4.45Å; V127-F156 HydrophobicContact CG1-CD2 3.8Å; V127-F156 HydrophobicContact CG1-CE2 3.87Å; V127-F156 HydrophobicContact CG2-CD2 3.91Å; V127-F156 HydrophobicContact CG2-CE2 3.68Å
128Y97.3Very high94.3Very high11 Ų1129.7 Ų29.74%0.04314%0.139CC..Hα-helixtrans-61.6-52.1-178.9-171.7-80.3000112.5M124 M125 L126 W130 S131 R132 P153 I174 H178M124-Y128 WeakPolarHBondContact O-CB 3.41Å; M124-Y128 PolarHBondContact O-N 3.01Å; M125-Y128 WeakPolarHBondContact O-CB 3.46Å; M125-Y128 PolarHBondContact O-N 3.48Å; L126-Y128 VanDerWaalsContact C-N 3.28Å; L126-Y128 PolarHBondContact O-N 2.89Å; Y128-W130 VanDerWaalsContact C-N 3.33Å; Y128-W130 PolarHBondContact O-N 3.43Å; Y128-S131 WeakPolarHBondContact O-CB 3.29Å; Y128-S131 PolarHBondContact O-N 3.47Å; Y128-S131 VanDerWaalsContact O-N 3.15Å; Y128-R132 HydrophobicContact CD1-CG 3.86Å; Y128-R132 HydrophobicContact CE1-CB 4.48Å; Y128-R132 HydrophobicContact CE1-CG 3.32Å; Y128-R132 HydrophobicContact CE2-CG 4.49Å; Y128-R132 WeakPolarHBondContact O-CG 3.37Å; Y128-R132 PolarHBondContact O-N 2.94Å; Y128-R132 PolarHBondContact OH-NH1 3.35Å; Y128-P153 HydrophobicContact CD2-CB 4.01Å; Y128-P153 HydrophobicContact CD2-CG 3.86Å; Y128-P153 HydrophobicContact CG-CG 4.42Å; Y128-I174 HydrophobicContact CD2-CB 4.22Å; Y128-I174 HydrophobicContact CD2-CG1 4.28Å; Y128-I174 HydrophobicContact CD2-CG2 3.83Å; Y128-I174 HydrophobicContact CE2-CG2 3.73Å; Y128-H178 HydrophobicContact CD1-CB 4.46Å; Y128-H178 HydrophobicContact CE1-CB 3.68Å; Y128-H178 AromaticContact CE1-ND1 3.92Å; Y128-H178 HydrophobicContact CE2-CB 4.41Å; Y128-H178 AromaticContact CZ-ND1 3.67Å; Y128-H178 PolarHBondContact OH-ND1 3.42Å
129V96.8Very high94.1Very high0 Ų030.2 Ų30.20%014%0.142CC..Hα-helixtrans-60.4-46-178.2174.60000110.3L83 M98 M125 L126 S131 R132 R133 Y180L83-V129 HydrophobicContact CD1-CB 4.42Å; L83-V129 HydrophobicContact CD1-CG1 4.45Å; L83-V129 HydrophobicContact CD2-CG1 3.97Å; M98-V129 HydrophobicContact SD-CG1 4.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.41Å; M125-V129 PolarHBondContact O-N 3.04Å; L126-V129 PolarHBondContact O-N 3.49Å; V129-S131 VanDerWaalsContact C-N 3.33Å; V129-S131 PolarHBondContact O-N 3.31Å; V129-R132 PolarHBondContact O-N 2.94Å; V129-R133 WeakPolarHBondContact O-CB 3.31Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.81Å; V129-R133 VanDerWaalsContact O-N 3.1Å; V129-Y180 HydrophobicContact CG1-CD1 4.15Å; V129-Y180 HydrophobicContact CG1-CE1 4.16Å; V129-Y180 HydrophobicContact CG2-CD1 3.74Å
130W95.6Very high93.8Very high0 Ų033 Ų330%016%0.157CC..Hα-helixtrans-59.9-44175.717984.9000112Y79 M82 L83 L126 Y128 R132 R133 N134 V137 L139 A149 L152Y79-W130 HydrophobicContact CD1-CB 4.19Å; Y79-W130 AromaticContact CD1-CD2 3.76Å; Y79-W130 HydrophobicContact CD1-CD2 3.76Å; Y79-W130 AromaticContact CD1-CE3 3.76Å; Y79-W130 HydrophobicContact CD1-CE3 3.76Å; Y79-W130 AromaticContact CD1-CG 3.94Å; Y79-W130 HydrophobicContact CD1-CG 3.94Å; Y79-W130 AromaticContact CE1-CD2 3.96Å; Y79-W130 HydrophobicContact CE1-CD2 3.96Å; Y79-W130 AromaticContact CE1-CE3 3.55Å; Y79-W130 HydrophobicContact CE1-CE3 3.55Å; Y79-W130 AromaticContact CE1-CZ3 3.88Å; Y79-W130 HydrophobicContact CE1-CZ3 3.88Å; M82-W130 HydrophobicContact CE-CZ2 3.41Å; M82-W130 VanDerWaalsContact CE-CZ2 3.41Å; M82-W130 HydrophobicContact SD-CZ2 4.2Å; L83-W130 HydrophobicContact CD1-CB 4.24Å; L83-W130 HydrophobicContact CD2-CB 4Å; L83-W130 HydrophobicContact CG-CB 3.96Å; L126-W130 WeakPolarHBondContact O-CB 3.4Å; L126-W130 PolarHBondContact O-N 2.98Å; Y128-W130 VanDerWaalsContact C-N 3.33Å; Y128-W130 PolarHBondContact O-N 3.43Å; W130-R132 VanDerWaalsContact C-N 3.35Å; W130-R132 PolarHBondContact O-N 3.14Å; W130-R133 PolarHBondContact O-N 3.4Å; W130-N134 VanDerWaalsContact CD1-ND2 3.34Å; W130-N134 HydrophobicContact CZ2-CB 4.34Å; W130-N134 PolarHBondContact NE1-ND2 3.08Å; W130-N134 WeakPolarHBondContact O-CB 3.4Å; W130-N134 PolarHBondContact O-N 3.44Å; W130-N134 VanDerWaalsContact O-N 3.08Å; W130-N134 PolarHBondContact O-ND2 3.17Å; W130-V137 HydrophobicContact CH2-CB 4.5Å; W130-V137 HydrophobicContact CH2-CG1 3.97Å; W130-V137 HydrophobicContact CZ2-CG1 4.31Å; W130-L139 HydrophobicContact CH2-CD1 4.12Å; W130-L139 HydrophobicContact CH2-CD2 4.05Å; W130-L139 HydrophobicContact CH2-CG 4.43Å; W130-L139 HydrophobicContact CZ3-CD1 3.95Å; W130-A149 HydrophobicContact CH2-CB 3.95Å; W130-A149 HydrophobicContact CZ3-CB 3.69Å; W130-L152 HydrophobicContact CE3-CD2 4.21Å; W130-L152 HydrophobicContact CZ3-CD2 3.89Å
131S95.7Very high93.3Very high0 Ų031.8 Ų31.80%015%0.152CC..Hα-helixtrans-62.4-39.3-178.6-66.60000113V127 Y128 V129 A149 P153V127-S131 WeakPolarHBondContact O-CB 3.33Å; V127-S131 PolarHBondContact O-N 3.28Å; V127-S131 PolarHBondContact O-OG 3.47Å; Y128-S131 WeakPolarHBondContact O-CB 3.29Å; Y128-S131 PolarHBondContact O-N 3.47Å; Y128-S131 VanDerWaalsContact O-N 3.15Å; V129-S131 VanDerWaalsContact C-N 3.33Å; V129-S131 PolarHBondContact O-N 3.31Å; S131-A149 WeakPolarHBondContact CB-O 3.49Å; S131-A149 PolarHBondContact OG-O 3.46Å; S131-A149 VanDerWaalsContact OG-O 3.12Å; S131-P153 WeakPolarHBondContact OG-CD 3.46Å
132R95.9Very high92.4Very high84 Ų8439.3 Ų39.332%0.31719%0.185SC..Hα-helixtrans-76.7-32.3179.5-66.7-58.8-64.3-114.13113.1Y128 V129 W130 N134 Y181Y128-R132 HydrophobicContact CD1-CG 3.86Å; Y128-R132 HydrophobicContact CE1-CB 4.48Å; Y128-R132 HydrophobicContact CE1-CG 3.32Å; Y128-R132 HydrophobicContact CE2-CG 4.49Å; Y128-R132 WeakPolarHBondContact O-CG 3.37Å; Y128-R132 PolarHBondContact O-N 2.94Å; Y128-R132 PolarHBondContact OH-NH1 3.35Å; V129-R132 PolarHBondContact O-N 2.94Å; W130-R132 VanDerWaalsContact C-N 3.35Å; W130-R132 PolarHBondContact O-N 3.14Å; R132-N134 VanDerWaalsContact C-N 3.34Å; R132-Y181 HydrophobicContact CB-CD1 4.1Å; R132-Y181 HydrophobicContact CB-CD2 3.58Å; R132-Y181 HydrophobicContact CB-CE1 4.06Å; R132-Y181 HydrophobicContact CB-CE2 3.51Å; R132-Y181 HydrophobicContact CB-CG 3.88Å; R132-Y181 HydrophobicContact CG-CD1 4.33Å; R132-Y181 HydrophobicContact CG-CD2 4.5Å; R132-Y181 HydrophobicContact CG-CG 4.33Å
133R94.2Very high91.6Very high22 Ų2241.6 Ų41.68%0.08321%0.209CC..Hα-helixtrans-75.6-21.8176.6-76-174.7176.5166.75.7113.8W87 Y88 V129 W130 P135 Y181 D185W87-R133 HydrophobicContact CD2-CB 4.48Å; W87-R133 HydrophobicContact CH2-CB 4.35Å; W87-R133 HydrophobicContact CZ2-CB 3.63Å; W87-R133 HydrophobicContact CZ2-CG 4.24Å; W87-R133 WeakPolarHBondContact CZ2-O 3.31Å; Y88-R133 VanDerWaalsContact CE2-NH1 3.29Å; Y88-R133 VanDerWaalsContact CZ-NH1 3.3Å; Y88-R133 PolarHBondContact OH-NH1 3.3Å; Y88-R133 PolarHBondContact OH-NH2 2.89Å; V129-R133 WeakPolarHBondContact O-CB 3.31Å; V129-R133 WeakPolarHBondContact O-CG 3.46Å; V129-R133 PolarHBondContact O-N 2.81Å; V129-R133 VanDerWaalsContact O-N 3.1Å; W130-R133 PolarHBondContact O-N 3.4Å; R133-P135 VanDerWaalsContact O-CD 3.23Å; R133-P135 WeakPolarHBondContact O-CD 3.4Å; R133-Y181 HydrophobicContact CG-CD2 4.16Å; R133-Y181 HydrophobicContact CG-CE2 4.03Å; R133-D185 IonicContact CZ-OD1 2.62Å; R133-D185 IonicContact CZ-OD2 3.99Å; R133-D185 IonicContact NE-OD1 3.04Å; R133-D185 PolarHBondContact NE-OD1 2.82Å; R133-D185 IonicContact NE-OD2 3.58Å; R133-D185 PolarHBondContact NE-OD2 3.02Å; R133-D185 IonicContact NH2-OD1 3.76Å; R133-D185 IonicContact NH2-OD2 2.81Å; R133-D185 PolarHBondContact NH2-OD2 3.25Å
134N93Very high91.2Very high12 Ų1248 Ų486%0.06424%0.242CC..  trans-117.455-179.1-62-72.7000112.6W130 R132 L136 V137 A149W130-N134 VanDerWaalsContact CD1-ND2 3.34Å; W130-N134 HydrophobicContact CZ2-CB 4.34Å; W130-N134 PolarHBondContact NE1-ND2 3.08Å; W130-N134 WeakPolarHBondContact O-CB 3.4Å; W130-N134 PolarHBondContact O-N 3.44Å; W130-N134 VanDerWaalsContact O-N 3.08Å; W130-N134 PolarHBondContact O-ND2 3.17Å; R132-N134 VanDerWaalsContact C-N 3.34Å; N134-L136 PolarHBondContact O-N 3.28Å; N134-L136 VanDerWaalsContact O-N 3.1Å; N134-V137 HydrophobicContact CB-CB 4.27Å; N134-V137 HydrophobicContact CB-CG2 3.81Å; N134-V137 PolarHBondContact O-N 2.94Å; N134-V137 VanDerWaalsContact O-N 3.11Å; N134-A149 VanDerWaalsContact O-CB 3.27Å; N134-A149 WeakPolarHBondContact O-CB 3.32Å
135P92.3Very high90.7Very high67 Ų6752.4 Ų52.444%0.43527%0.265SS..THydrogen-bonded Turntrans-65.6-22.1-167.327.7-35.8000114.7R133 P150R133-P135 VanDerWaalsContact O-CD 3.23Å; R133-P135 WeakPolarHBondContact O-CD 3.4Å; P135-P150 HydrophobicContact CB-CG 3.84Å
136L92.5Very high90.4Very high161 Ų16158.9 Ų58.984%0.84330%0.295SS*.THydrogen-bonded Turntrans-88-11.2-178.5-57.8179.7000113.2N134 R138N134-L136 PolarHBondContact O-N 3.28Å; N134-L136 VanDerWaalsContact O-N 3.1Å; L136-R138 PolarHBondContact O-N 3.37Å
137V89.6Confident90.2Very high24 Ų2460 Ų6015%0.14530%0.301CS..  trans-72.1128.6-179.2172.90000109.7W130 N134 L139 N148 A149 E221 V222W130-V137 HydrophobicContact CH2-CB 4.5Å; W130-V137 HydrophobicContact CH2-CG1 3.97Å; W130-V137 HydrophobicContact CZ2-CG1 4.31Å; N134-V137 HydrophobicContact CB-CB 4.27Å; N134-V137 HydrophobicContact CB-CG2 3.81Å; N134-V137 PolarHBondContact O-N 2.94Å; N134-V137 VanDerWaalsContact O-N 3.11Å; V137-L139 HydrophobicContact CG1-CD2 4.08Å; V137-L139 HydrophobicContact CG1-CG 4.44Å; V137-N148 CarbonylContact O-C 3.57Å; V137-N148 WeakPolarHBondContact O-CA 3.35Å; V137-A149 HydrophobicContact CB-CB 4.17Å; V137-A149 PolarHBondContact O-N 2.86Å; V137-E221 WeakPolarHBondContact CG1-O 3.48Å; V137-V222 HydrophobicContact CG1-CB 4.33Å; V137-V222 HydrophobicContact CG1-CG2 4.25Å
138R90Very high90Very high171 Ų17163.1 Ų63.165%0.64532%0.318SS*.EExtended strand (participates in β ladder)trans-100.1128.1174.5-60-172.2-177.9-176.42109.8L136L136-R138 PolarHBondContact O-N 3.37Å
139L88Confident89.8Confident11 Ų1162.6 Ų62.66%0.05832%0.316CS..EExtended strand (participates in β ladder)trans-110.1129.7-180-62.4175000109.5W130 V137 E146 V147 L152 V222W130-L139 HydrophobicContact CH2-CD1 4.12Å; W130-L139 HydrophobicContact CH2-CD2 4.05Å; W130-L139 HydrophobicContact CH2-CG 4.43Å; W130-L139 HydrophobicContact CZ3-CD1 3.95Å; V137-L139 HydrophobicContact CG1-CD2 4.08Å; V137-L139 HydrophobicContact CG1-CG 4.44Å; L139-E146 CarbonylContact O-C 3.56Å; L139-E146 WeakPolarHBondContact O-CA 3.45Å; L139-V147 PolarHBondContact N-O 3.16Å; L139-V147 PolarHBondContact O-N 2.87Å; L139-L152 HydrophobicContact CD1-CB 4.06Å; L139-L152 HydrophobicContact CD1-CD1 3.81Å; L139-L152 HydrophobicContact CD1-CD2 3.64Å; L139-L152 HydrophobicContact CD1-CG 4.03Å; L139-V222 HydrophobicContact CD2-CB 4.2Å; L139-V222 HydrophobicContact CD2-CG1 4.13Å; L139-V222 HydrophobicContact CD2-CG2 3.44Å; L139-V222 VanDerWaalsContact CD2-CG2 3.44Å
140N87.7Confident89.7Confident59 Ų5964.2 Ų64.232%0.31633%0.327SS..EExtended strand (participates in β ladder)trans-93.2111.6170.3-168.1-21000109.5G143 I144N140-G143 VanDerWaalsContact CG-CA 3.49Å; N140-G143 WeakPolarHBondContact OD1-CA 3.2Å; N140-G143 PolarHBondContact OD1-N 3.04Å; N140-I144 PolarHBondContact OD1-N 3.46Å; N140-I144 VanDerWaalsContact OD1-N 3.17Å
141I83.4Confident89.7Confident25 Ų2571 Ų7113%0.12835%0.353CS..EExtended strand (participates in β ladder)trans-86.2116.5177.9-59.4159.9000108.2G143 I144 I145 V147 V155 F159I141-G143 PolarHBondContact O-N 3.46Å; I141-I144 PolarHBondContact O-N 2.95Å; I141-I144 VanDerWaalsContact O-N 3.08Å; I141-I145 PolarHBondContact N-O 3.44Å; I141-I145 PolarHBondContact O-N 3.26Å; I141-V147 HydrophobicContact CD1-CB 3.82Å; I141-V147 HydrophobicContact CD1-CG2 3.45Å; I141-V147 VanDerWaalsContact CD1-CG2 3.45Å; I141-V155 HydrophobicContact CD1-CB 4.29Å; I141-V155 HydrophobicContact CD1-CG1 3.59Å; I141-V155 HydrophobicContact CD1-CG2 3.87Å; I141-F159 HydrophobicContact CG2-CE2 4.14Å; I141-F159 HydrophobicContact CG2-CZ 4.23Å
142F76.1Confident89.6Confident158 Ų15871.2 Ų71.269%0.69335%0.354SS*.THydrogen-bonded Turntrans55.114.9-179.4-59.6-61.8000115.8I144 F159F142-I144 VanDerWaalsContact C-N 3.27Å; F142-I144 PolarHBondContact O-N 3.12Å; F142-F159 HydrophobicContact CD2-CZ 4.24Å; F142-F159 HydrophobicContact CE2-CE1 4.08Å; F142-F159 HydrophobicContact CE2-CE2 4.17Å; F142-F159 AromaticContact CE2-CZ 3.6Å; F142-F159 HydrophobicContact CE2-CZ 3.6Å
143G78.3Confident89.5Confident52 Ų5267.2 Ų67.254%0.53634%0.339SS..THydrogen-bonded Turntrans84.9-5.7-176.700000114.3N140 I141N140-G143 VanDerWaalsContact CG-CA 3.49Å; N140-G143 WeakPolarHBondContact OD1-CA 3.2Å; N140-G143 PolarHBondContact OD1-N 3.04Å; I141-G143 PolarHBondContact O-N 3.46Å
144I84.3Confident89.5Confident144 Ų14472.3 Ų72.374%0.73836%0.358SS*.THydrogen-bonded Turntrans-108.5-41.4-167.1-56169.5000111.6N140 I141 F142N140-I144 PolarHBondContact OD1-N 3.46Å; N140-I144 VanDerWaalsContact OD1-N 3.17Å; I141-I144 PolarHBondContact O-N 2.95Å; I141-I144 VanDerWaalsContact O-N 3.08Å; F142-I144 VanDerWaalsContact C-N 3.27Å; F142-I144 PolarHBondContact O-N 3.12Å
145I86.4Confident89.5Confident100 Ų10073.1 Ų73.151%0.51336%0.364SS..EExtended strand (participates in β ladder)trans-121.4121.6-171.5-50.9177.7000109I141 V147I141-I145 PolarHBondContact N-O 3.44Å; I141-I145 PolarHBondContact O-N 3.26Å; I145-V147 HydrophobicContact CG2-CG2 3.74Å
146E89.6Confident89.4Confident135 Ų13571.3 Ų71.363%0.63135%0.349SS*.EExtended strand (participates in β ladder)trans-88.9125.8170.4-65.8-170.5177.300110.5L139L139-E146 CarbonylContact O-C 3.56Å; L139-E146 WeakPolarHBondContact O-CA 3.45Å
147V91.2Very high89.4Confident23 Ų2365.6 Ų65.614%0.13932%0.318CS..EExtended strand (participates in β ladder)trans-132.6135.2-177.9177.70000109.5L139 I141 I145 Y151 V155L139-V147 PolarHBondContact N-O 3.16Å; L139-V147 PolarHBondContact O-N 2.87Å; I141-V147 HydrophobicContact CD1-CB 3.82Å; I141-V147 HydrophobicContact CD1-CG2 3.45Å; I141-V147 VanDerWaalsContact CD1-CG2 3.45Å; I145-V147 HydrophobicContact CG2-CG2 3.74Å; V147-Y151 VanDerWaalsContact CG1-CB 3.44Å; V147-Y151 HydrophobicContact CG1-CD2 4.48Å; V147-Y151 HydrophobicContact CG1-CG 4.39Å; V147-V155 HydrophobicContact CG1-CG2 4.1Å; V147-V155 HydrophobicContact CG2-CG2 4.39Å
148N92.7Very high89.5Confident67 Ų6766.5 Ų66.536%0.35833%0.328SS..EExtended strand (participates in β ladder)trans-70.8143.7173.4-60.8-23.5000110.1V137 P150 Y151V137-N148 CarbonylContact O-C 3.57Å; V137-N148 WeakPolarHBondContact O-CA 3.35Å; N148-P150 VanDerWaalsContact C-N 3.3Å; N148-P150 WeakPolarHBondContact O-CD 3.32Å; N148-P150 VanDerWaalsContact O-N 3.08Å; N148-Y151 HydrophobicContact CB-CD2 4.05Å; N148-Y151 HydrophobicContact CB-CE2 4.39Å; N148-Y151 PolarHBondContact O-N 2.98Å
149A93.1Very high89.4Confident0 Ų062.1 Ų62.10%031%0.314CS..G310 helixtrans-48-40.9-175.500000114.5W130 S131 N134 V137 Y151 L152W130-A149 HydrophobicContact CH2-CB 3.95Å; W130-A149 HydrophobicContact CZ3-CB 3.69Å; S131-A149 WeakPolarHBondContact CB-O 3.49Å; S131-A149 PolarHBondContact OG-O 3.46Å; S131-A149 VanDerWaalsContact OG-O 3.12Å; N134-A149 VanDerWaalsContact O-CB 3.27Å; N134-A149 WeakPolarHBondContact O-CB 3.32Å; V137-A149 HydrophobicContact CB-CB 4.17Å; V137-A149 PolarHBondContact O-N 2.86Å; A149-Y151 PolarHBondContact O-N 3.3Å; A149-L152 WeakPolarHBondContact O-CB 3.3Å; A149-L152 PolarHBondContact O-N 3Å
150P94.8Very high89.3Confident33 Ų3362.6 Ų62.621%0.21432%0.318CS..G310 helixtrans-57.6-23.1178.9-27.537.5000115.3P135 N148 P153P135-P150 HydrophobicContact CB-CG 3.84Å; N148-P150 VanDerWaalsContact C-N 3.3Å; N148-P150 WeakPolarHBondContact O-CD 3.32Å; N148-P150 VanDerWaalsContact O-N 3.08Å; P150-P153 WeakPolarHBondContact O-CD 3.05Å
151Y94.6Very high89.4Confident143 Ų14365.5 Ų65.556%0.56133%0.328SS*.G310 helixtrans-89.9-13.1178.1-62.7-71.7000113.4V147 N148 A149 P153 W154 V155V147-Y151 VanDerWaalsContact CG1-CB 3.44Å; V147-Y151 HydrophobicContact CG1-CD2 4.48Å; V147-Y151 HydrophobicContact CG1-CG 4.39Å; N148-Y151 HydrophobicContact CB-CD2 4.05Å; N148-Y151 HydrophobicContact CB-CE2 4.39Å; N148-Y151 PolarHBondContact O-N 2.98Å; A149-Y151 PolarHBondContact O-N 3.3Å; Y151-P153 VanDerWaalsContact C-CD 3.42Å; Y151-P153 VanDerWaalsContact C-N 3.32Å; Y151-W154 WeakPolarHBondContact O-CB 3.23Å; Y151-W154 PolarHBondContact O-N 2.93Å; Y151-V155 PolarHBondContact O-N 3.07Å; Y151-V155 VanDerWaalsContact O-N 3.08Å
152L93.2Very high89.7Confident4 Ų470.7 Ų70.72%0.02136%0.355CS..Hα-helixtrans-53.8-40.8179.7179.770000113.5Y79 V127 W130 L139 A149 W154 V155 F156Y79-L152 HydrophobicContact CE1-CD2 3.69Å; Y79-L152 WeakPolarHBondContact OH-CD2 3.35Å; V127-L152 HydrophobicContact CG1-CD2 3.75Å; V127-L152 HydrophobicContact CG1-CG 3.97Å; W130-L152 HydrophobicContact CE3-CD2 4.21Å; W130-L152 HydrophobicContact CZ3-CD2 3.89Å; L139-L152 HydrophobicContact CD1-CB 4.06Å; L139-L152 HydrophobicContact CD1-CD1 3.81Å; L139-L152 HydrophobicContact CD1-CD2 3.64Å; L139-L152 HydrophobicContact CD1-CG 4.03Å; A149-L152 WeakPolarHBondContact O-CB 3.3Å; A149-L152 PolarHBondContact O-N 3Å; L152-W154 PolarHBondContact O-N 3.37Å; L152-V155 WeakPolarHBondContact O-CB 3.4Å; L152-V155 PolarHBondContact O-N 2.95Å; L152-V155 VanDerWaalsContact O-N 3.17Å; L152-F156 HydrophobicContact CD1-CD1 4.2Å; L152-F156 HydrophobicContact CD1-CE1 3.71Å; L152-F156 HydrophobicContact CD1-CE2 4.34Å; L152-F156 HydrophobicContact CD1-CZ 3.8Å; L152-F156 HydrophobicContact CD2-CE2 4.45Å; L152-F156 HydrophobicContact CD2-CZ 4.47Å; L152-F156 HydrophobicContact CG-CE1 4.47Å; L152-F156 HydrophobicContact CG-CE2 4.29Å; L152-F156 HydrophobicContact CG-CZ 4.23Å; L152-F156 PolarHBondContact O-N 3.18Å
153P94.5Very high90.2Very high0 Ų069.4 Ų69.40%036%0.355CS..Hα-helixtrans-59.5-37.6177.4-26.336.9000112.9M124 V127 Y128 S131 P150 Y151 F156 F157 I174M124-P153 HydrophobicContact CE-CB 3.38Å; M124-P153 HydrophobicContact CE-CG 4.46Å; M124-P153 WeakPolarHBondContact CE-O 3.32Å; V127-P153 HydrophobicContact CG1-CG 4.22Å; Y128-P153 HydrophobicContact CD2-CB 4.01Å; Y128-P153 HydrophobicContact CD2-CG 3.86Å; Y128-P153 HydrophobicContact CG-CG 4.42Å; S131-P153 WeakPolarHBondContact OG-CD 3.46Å; P150-P153 WeakPolarHBondContact O-CD 3.05Å; Y151-P153 VanDerWaalsContact C-CD 3.42Å; Y151-P153 VanDerWaalsContact C-N 3.32Å; P153-F156 PolarHBondContact O-N 3.21Å; P153-F157 WeakPolarHBondContact O-CB 3.31Å; P153-F157 PolarHBondContact O-N 3.17Å; P153-I174 HydrophobicContact CB-CD1 4.35Å; P153-I174 HydrophobicContact CB-CG1 4.11Å
154W94.6Very high90.4Very high129 Ų12970.1 Ų70.149%0.48936%0.362SS..Hα-helixtrans-73.9-32.6179.5-58106.1000112.2Y151 L152 A158 I174Y151-W154 WeakPolarHBondContact O-CB 3.23Å; Y151-W154 PolarHBondContact O-N 2.93Å; L152-W154 PolarHBondContact O-N 3.37Å; W154-A158 WeakPolarHBondContact O-CB 3.32Å; W154-A158 PolarHBondContact O-N 3.41Å; W154-I174 HydrophobicContact CE3-CD1 4.22Å; W154-I174 HydrophobicContact CH2-CG2 4.33Å; W154-I174 HydrophobicContact CZ2-CG2 4.32Å; W154-I174 HydrophobicContact CZ3-CD1 4.18Å
155V92.2Very high90.4Very high30 Ų3066.5 Ų66.518%0.18234%0.344CS..Hα-helixtrans-62-47.41711690000110.6I141 V147 Y151 L152 A158 F159I141-V155 HydrophobicContact CD1-CB 4.29Å; I141-V155 HydrophobicContact CD1-CG1 3.59Å; I141-V155 HydrophobicContact CD1-CG2 3.87Å; V147-V155 HydrophobicContact CG1-CG2 4.1Å; V147-V155 HydrophobicContact CG2-CG2 4.39Å; Y151-V155 PolarHBondContact O-N 3.07Å; Y151-V155 VanDerWaalsContact O-N 3.08Å; L152-V155 WeakPolarHBondContact O-CB 3.4Å; L152-V155 PolarHBondContact O-N 2.95Å; L152-V155 VanDerWaalsContact O-N 3.17Å; V155-A158 PolarHBondContact O-N 3.35Å; V155-F159 HydrophobicContact CG1-CD2 3.7Å; V155-F159 HydrophobicContact CG1-CE2 3.4Å; V155-F159 VanDerWaalsContact CG1-CE2 3.4Å; V155-F159 VanDerWaalsContact O-CD2 3.23Å; V155-F159 WeakPolarHBondContact O-CD2 3.4Å; V155-F159 PolarHBondContact O-N 2.96Å
156F90.7Very high90.4Very high29 Ų2966.5 Ų66.513%0.12735%0.345CS..Hα-helixtrans-65.1-42.8178.2-73.4-5.8000112.3F75 Y79 M124 V127 L152 P153 A158 F159 S160F75-F156 HydrophobicContact CD1-CE2 4.26Å; F75-F156 AromaticContact CD1-CZ 3.83Å; F75-F156 HydrophobicContact CD1-CZ 3.83Å; F75-F156 HydrophobicContact CD2-CE2 4.37Å; F75-F156 HydrophobicContact CD2-CZ 4.27Å; F75-F156 HydrophobicContact CE1-CE1 4.19Å; F75-F156 HydrophobicContact CE1-CE2 4.46Å; F75-F156 AromaticContact CE1-CZ 3.62Å; F75-F156 HydrophobicContact CE1-CZ 3.62Å; F75-F156 HydrophobicContact CE2-CE1 4.3Å; F75-F156 HydrophobicContact CE2-CZ 4.08Å; F75-F156 HydrophobicContact CG-CE2 4.23Å; F75-F156 HydrophobicContact CG-CZ 4.17Å; F75-F156 AromaticContact CZ-CE1 3.94Å; F75-F156 HydrophobicContact CZ-CE1 3.94Å; F75-F156 AromaticContact CZ-CZ 3.75Å; F75-F156 HydrophobicContact CZ-CZ 3.75Å; Y79-F156 AromaticContact CE2-CE2 3.79Å; Y79-F156 HydrophobicContact CE2-CE2 3.79Å; Y79-F156 HydrophobicContact CE2-CZ 4.09Å; M124-F156 HydrophobicContact CE-CB 4.22Å; M124-F156 HydrophobicContact SD-CB 4.23Å; V127-F156 HydrophobicContact CB-CD2 4.42Å; V127-F156 HydrophobicContact CB-CE2 4.45Å; V127-F156 HydrophobicContact CG1-CD2 3.8Å; V127-F156 HydrophobicContact CG1-CE2 3.87Å; V127-F156 HydrophobicContact CG2-CD2 3.91Å; V127-F156 HydrophobicContact CG2-CE2 3.68Å; L152-F156 HydrophobicContact CD1-CD1 4.2Å; L152-F156 HydrophobicContact CD1-CE1 3.71Å; L152-F156 HydrophobicContact CD1-CE2 4.34Å; L152-F156 HydrophobicContact CD1-CZ 3.8Å; L152-F156 HydrophobicContact CD2-CE2 4.45Å; L152-F156 HydrophobicContact CD2-CZ 4.47Å; L152-F156 HydrophobicContact CG-CE1 4.47Å; L152-F156 HydrophobicContact CG-CE2 4.29Å; L152-F156 HydrophobicContact CG-CZ 4.23Å; L152-F156 PolarHBondContact O-N 3.18Å; P153-F156 PolarHBondContact O-N 3.21Å; F156-A158 VanDerWaalsContact C-N 3.3Å; F156-A158 PolarHBondContact O-N 3.3Å; F156-F159 PolarHBondContact O-N 2.95Å; F156-F159 VanDerWaalsContact O-N 3.17Å; F156-S160 PolarHBondContact O-N 3.39Å; F156-S160 PolarHBondContact O-OG 3.41Å
157F92.3Very high90.4Very high40 Ų4063.2 Ų63.218%0.17533%0.331CS..Hα-helixtrans-55.1-44.7171.5169.9-98.9000112.3P153 S160 F161 M167 D170 L171 I174P153-F157 WeakPolarHBondContact O-CB 3.31Å; P153-F157 PolarHBondContact O-N 3.17Å; F157-S160 PolarHBondContact O-N 3.39Å; F157-F161 WeakPolarHBondContact O-CB 3.26Å; F157-F161 PolarHBondContact O-N 2.83Å; F157-M167 HydrophobicContact CE1-CE 4.15Å; F157-M167 HydrophobicContact CE2-CB 3.96Å; F157-M167 HydrophobicContact CE2-CE 3.84Å; F157-M167 HydrophobicContact CE2-CG 4.43Å; F157-M167 HydrophobicContact CZ-CE 3.32Å; F157-D170 HydrophobicContact CB-CB 4.49Å; F157-D170 HydrophobicContact CD2-CB 3.9Å; F157-L171 HydrophobicContact CD2-CD2 4.15Å; F157-L171 HydrophobicContact CD2-CG 4.27Å; F157-L171 HydrophobicContact CE2-CD1 4.2Å; F157-L171 HydrophobicContact CE2-CD2 3.69Å; F157-L171 HydrophobicContact CE2-CG 3.68Å; F157-L171 HydrophobicContact CZ-CD2 4.13Å; F157-L171 HydrophobicContact CZ-CG 4.42Å; F157-I174 HydrophobicContact CB-CD1 4.39Å
158A92.1Very high90.4Very high44 Ų4467.3 Ų67.336%0.36435%0.35SS..Hα-helixtrans-64.1-41.6176.700000112.1W154 V155 F156 F161 L162W154-A158 WeakPolarHBondContact O-CB 3.32Å; W154-A158 PolarHBondContact O-N 3.41Å; V155-A158 PolarHBondContact O-N 3.35Å; F156-A158 VanDerWaalsContact C-N 3.3Å; F156-A158 PolarHBondContact O-N 3.3Å; A158-F161 PolarHBondContact O-N 3.4Å; A158-L162 VanDerWaalsContact O-CG 3.31Å; A158-L162 WeakPolarHBondContact O-CG 3.35Å; A158-L162 PolarHBondContact O-N 3.31Å
159F87.7Confident90.4Very high79 Ų7965 Ų6535%0.34634%0.338SS..Hα-helixtrans-64.3-44.4174.6-78.2-56.9000112.5I141 F142 V155 F156 F161 L162 L163I141-F159 HydrophobicContact CG2-CE2 4.14Å; I141-F159 HydrophobicContact CG2-CZ 4.23Å; F142-F159 HydrophobicContact CD2-CZ 4.24Å; F142-F159 HydrophobicContact CE2-CE1 4.08Å; F142-F159 HydrophobicContact CE2-CE2 4.17Å; F142-F159 AromaticContact CE2-CZ 3.6Å; F142-F159 HydrophobicContact CE2-CZ 3.6Å; V155-F159 HydrophobicContact CG1-CD2 3.7Å; V155-F159 HydrophobicContact CG1-CE2 3.4Å; V155-F159 VanDerWaalsContact CG1-CE2 3.4Å; V155-F159 VanDerWaalsContact O-CD2 3.23Å; V155-F159 WeakPolarHBondContact O-CD2 3.4Å; V155-F159 PolarHBondContact O-N 2.96Å; F156-F159 PolarHBondContact O-N 2.95Å; F156-F159 VanDerWaalsContact O-N 3.17Å; F159-F161 VanDerWaalsContact C-N 3.29Å; F159-F161 PolarHBondContact O-N 3.14Å; F159-L162 PolarHBondContact O-N 2.97Å; F159-L163 WeakPolarHBondContact O-CB 3.39Å; F159-L163 VanDerWaalsContact O-CG 3.31Å; F159-L163 WeakPolarHBondContact O-CG 3.11Å; F159-L163 PolarHBondContact O-N 3.45Å
160S86.6Confident90.4Very high20 Ų2065.5 Ų65.514%0.1434%0.341CS..Hα-helixtrans-58-42.9174.9-72.50000111.8F156 F157 L163 G164 N165 D170F156-S160 PolarHBondContact O-N 3.39Å; F156-S160 PolarHBondContact O-OG 3.41Å; F157-S160 PolarHBondContact O-N 3.39Å; S160-L163 PolarHBondContact O-N 2.95Å; S160-G164 PolarHBondContact O-N 3.46Å; S160-N165 WeakPolarHBondContact O-CB 3.48Å; S160-N165 PolarHBondContact O-N 2.88Å; S160-D170 WeakPolarHBondContact CB-OD2 3.4Å; S160-D170 PolarHBondContact OG-OD2 3.14Å
161F89Confident90.5Very high120 Ų12067.2 Ų67.253%0.52635%0.348SS..Hα-helixtrans-60.3-47.1175.2174.2-116.9000112.1F157 A158 F159 L163 G164 M167F157-F161 WeakPolarHBondContact O-CB 3.26Å; F157-F161 PolarHBondContact O-N 2.83Å; A158-F161 PolarHBondContact O-N 3.4Å; F159-F161 VanDerWaalsContact C-N 3.29Å; F159-F161 PolarHBondContact O-N 3.14Å; F161-L163 VanDerWaalsContact C-N 3.28Å; F161-L163 PolarHBondContact O-N 2.92Å; F161-G164 PolarHBondContact O-N 3.16Å; F161-G164 VanDerWaalsContact O-N 3.09Å; F161-M167 HydrophobicContact CB-CE 4.37Å; F161-M167 HydrophobicContact CB-CG 4.29Å; F161-M167 HydrophobicContact CD2-CE 3.65Å; F161-M167 HydrophobicContact CD2-CG 3.89Å; F161-M167 HydrophobicContact CD2-SD 3.25Å; F161-M167 WeakPolarHBondContact CD2-SD 3.39Å; F161-M167 HydrophobicContact CE2-CE 4.14Å; F161-M167 HydrophobicContact CE2-SD 3.69Å; F161-M167 HydrophobicContact CG-CE 4.12Å; F161-M167 HydrophobicContact CG-SD 4.2Å
162L89.8Confident90.5Very high135 Ų13561.3 Ų61.371%0.70733%0.326SS*.Hα-helixtrans-63.9-32178.4-70.1172.6000113.1A158 F159 G164A158-L162 VanDerWaalsContact O-CG 3.31Å; A158-L162 WeakPolarHBondContact O-CG 3.35Å; A158-L162 PolarHBondContact O-N 3.31Å; F159-L162 PolarHBondContact O-N 2.97Å; L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 2.74Å
163L85.9Confident90.7Very high131 Ų13161.1 Ų61.169%0.68633%0.325SS*.THydrogen-bonded Turntrans-81.3-2.5176.7-66.5174.8000113.4F159 S160 F161 N165F159-L163 WeakPolarHBondContact O-CB 3.39Å; F159-L163 VanDerWaalsContact O-CG 3.31Å; F159-L163 WeakPolarHBondContact O-CG 3.11Å; F159-L163 PolarHBondContact O-N 3.45Å; S160-L163 PolarHBondContact O-N 2.95Å; F161-L163 VanDerWaalsContact C-N 3.28Å; F161-L163 PolarHBondContact O-N 2.92Å; L163-N165 VanDerWaalsContact C-N 3.32Å
164G83.6Confident90.8Very high67 Ų6761.8 Ų61.869%0.69133%0.328SS*.THydrogen-bonded Turntrans74.120.2-17800000114.1S160 F161 L162S160-G164 PolarHBondContact O-N 3.46Å; F161-G164 PolarHBondContact O-N 3.16Å; F161-G164 VanDerWaalsContact O-N 3.09Å; L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 2.74Å
165N83.6Confident91Very high67 Ų6761.1 Ų61.136%0.35833%0.329SS..  trans-73159.9173.5-67.7-36.8000111S160 L163 M167S160-N165 WeakPolarHBondContact O-CB 3.48Å; S160-N165 PolarHBondContact O-N 2.88Å; L163-N165 VanDerWaalsContact C-N 3.32Å; N165-M167 PolarHBondContact O-N 3.01Å
166N86.4Confident91.2Very high100 Ų10059.7 Ų59.754%0.53532%0.32SS..  trans-69.4105.5177.5-175.5-9.3000111.3M168 V169N166-M168 PolarHBondContact O-N 3.4Å; N166-M168 WeakPolarHBondContact OD1-CB 3.34Å; N166-M168 PolarHBondContact OD1-N 2.99Å; N166-V169 HydrophobicContact CB-CG2 4.07Å; N166-V169 WeakPolarHBondContact O-CB 3.5Å; N166-V169 PolarHBondContact O-N 3.34Å
167M89.5Confident91.6Very high66 Ų6658.3 Ų58.333%0.32531%0.314SS..Hα-helixtrans-58.1-29.2-179.5-60.2170.475.400114.1F157 F161 N165 V169 D170 L171F157-M167 HydrophobicContact CE1-CE 4.15Å; F157-M167 HydrophobicContact CE2-CB 3.96Å; F157-M167 HydrophobicContact CE2-CE 3.84Å; F157-M167 HydrophobicContact CE2-CG 4.43Å; F157-M167 HydrophobicContact CZ-CE 3.32Å; F161-M167 HydrophobicContact CB-CE 4.37Å; F161-M167 HydrophobicContact CB-CG 4.29Å; F161-M167 HydrophobicContact CD2-CE 3.65Å; F161-M167 HydrophobicContact CD2-CG 3.89Å; F161-M167 HydrophobicContact CD2-SD 3.25Å; F161-M167 WeakPolarHBondContact CD2-SD 3.39Å; F161-M167 HydrophobicContact CE2-CE 4.14Å; F161-M167 HydrophobicContact CE2-SD 3.69Å; F161-M167 HydrophobicContact CG-CE 4.12Å; F161-M167 HydrophobicContact CG-SD 4.2Å; N165-M167 PolarHBondContact O-N 3.01Å; M167-V169 PolarHBondContact O-N 3.38Å; M167-D170 PolarHBondContact O-N 3.43Å; M167-L171 WeakPolarHBondContact O-CG 3.44Å; M167-L171 PolarHBondContact O-N 2.69Å; M167-L171 VanDerWaalsContact O-N 3.14Å
168M92Very high91.8Very high109 Ų10959.9 Ų59.954%0.53732%0.322SS..Hα-helixtrans-62.3-34.4-178.5-72.3-64.5-170.300111.7N166 D170 L171 I172N166-M168 PolarHBondContact O-N 3.4Å; N166-M168 WeakPolarHBondContact OD1-CB 3.34Å; N166-M168 PolarHBondContact OD1-N 2.99Å; M168-D170 VanDerWaalsContact C-N 3.33Å; M168-D170 PolarHBondContact O-N 3.4Å; M168-L171 PolarHBondContact O-N 2.97Å; M168-I172 WeakPolarHBondContact O-CB 3.45Å; M168-I172 WeakPolarHBondContact O-CD1 3.46Å; M168-I172 WeakPolarHBondContact O-CG1 3.19Å; M168-I172 PolarHBondContact O-N 2.86Å
169V92.5Very high92.1Very high20 Ų2060.3 Ų60.312%0.12132%0.318CS..Hα-helixtrans-62.2-44.4-179.5177.60000110.5M115 H120 V121 N166 M167 I172 G173M115-V169 HydrophobicContact SD-CG2 4.32Å; H120-V169 HydrophobicContact CB-CG1 3.43Å; H120-V169 VanDerWaalsContact CB-CG1 3.43Å; V121-V169 HydrophobicContact CG2-CG1 3.65Å; N166-V169 HydrophobicContact CB-CG2 4.07Å; N166-V169 WeakPolarHBondContact O-CB 3.5Å; N166-V169 PolarHBondContact O-N 3.34Å; M167-V169 PolarHBondContact O-N 3.38Å; V169-I172 PolarHBondContact O-N 2.97Å; V169-G173 PolarHBondContact O-N 2.96Å
170D93.3Very high92.5Very high10 Ų1056.8 Ų56.85%0.05330%0.302CS..Hα-helixtrans-70.5-41.5179.8-68.9-11.8000111.7M124 F157 S160 M167 M168 I172 G173 I174M124-D170 HydrophobicContact CG-CB 4.33Å; M124-D170 WeakPolarHBondContact CG-O 3.45Å; M124-D170 HydrophobicContact SD-CB 4.43Å; F157-D170 HydrophobicContact CB-CB 4.49Å; F157-D170 HydrophobicContact CD2-CB 3.9Å; S160-D170 WeakPolarHBondContact CB-OD2 3.4Å; S160-D170 PolarHBondContact OG-OD2 3.14Å; M167-D170 PolarHBondContact O-N 3.43Å; M168-D170 VanDerWaalsContact C-N 3.33Å; M168-D170 PolarHBondContact O-N 3.4Å; D170-I172 VanDerWaalsContact C-N 3.33Å; D170-I172 PolarHBondContact O-N 2.89Å; D170-G173 PolarHBondContact O-N 3.3Å; D170-I174 VanDerWaalsContact O-CG1 3.31Å; D170-I174 WeakPolarHBondContact O-CG1 3.16Å; D170-I174 PolarHBondContact O-N 3.47Å
171L95.4Very high93Very high69 Ų6957.7 Ų57.736%0.36130%0.303SS..Hα-helixtrans-61.5-41.4175.9-69.8175.4000112F157 M167 M168 G173 I174 F175F157-L171 HydrophobicContact CD2-CD2 4.15Å; F157-L171 HydrophobicContact CD2-CG 4.27Å; F157-L171 HydrophobicContact CE2-CD1 4.2Å; F157-L171 HydrophobicContact CE2-CD2 3.69Å; F157-L171 HydrophobicContact CE2-CG 3.68Å; F157-L171 HydrophobicContact CZ-CD2 4.13Å; F157-L171 HydrophobicContact CZ-CG 4.42Å; M167-L171 WeakPolarHBondContact O-CG 3.44Å; M167-L171 PolarHBondContact O-N 2.69Å; M167-L171 VanDerWaalsContact O-N 3.14Å; M168-L171 PolarHBondContact O-N 2.97Å; L171-G173 VanDerWaalsContact C-N 3.33Å; L171-I174 PolarHBondContact O-N 3Å; L171-F175 WeakPolarHBondContact O-CB 3.1Å; L171-F175 PolarHBondContact O-N 3.16Å
172I96.1Very high93.3Very high19 Ų1955.2 Ų55.210%0.09729%0.292CS..Hα-helixtrans-64-42.2175.6-68.4164.7000110I109 V113 M115 V121 M168 V169 D170 F175 V176I109-I172 HydrophobicContact CD1-CG2 4.13Å; I109-I172 HydrophobicContact CG2-CD1 3.94Å; I109-I172 HydrophobicContact CG2-CG1 4.16Å; I109-I172 HydrophobicContact CG2-CG2 3.91Å; V113-I172 HydrophobicContact CB-CD1 4.44Å; V113-I172 HydrophobicContact CG1-CD1 4.09Å; V113-I172 HydrophobicContact CG2-CD1 4.26Å; M115-I172 HydrophobicContact CE-CD1 3.79Å; M115-I172 HydrophobicContact CE-CG2 4.44Å; M115-I172 HydrophobicContact SD-CD1 3.54Å; M115-I172 VanDerWaalsContact SD-CD1 3.54Å; V121-I172 HydrophobicContact CG1-CB 4.4Å; V121-I172 HydrophobicContact CG1-CG2 3.77Å; M168-I172 WeakPolarHBondContact O-CB 3.45Å; M168-I172 WeakPolarHBondContact O-CD1 3.46Å; M168-I172 WeakPolarHBondContact O-CG1 3.19Å; M168-I172 PolarHBondContact O-N 2.86Å; V169-I172 PolarHBondContact O-N 2.97Å; D170-I172 VanDerWaalsContact C-N 3.33Å; D170-I172 PolarHBondContact O-N 2.89Å; I172-F175 PolarHBondContact O-N 3Å; I172-V176 HydrophobicContact CG2-CG2 4.13Å; I172-V176 WeakPolarHBondContact O-CB 3.27Å; I172-V176 VanDerWaalsContact O-CG2 3.26Å; I172-V176 WeakPolarHBondContact O-CG2 3.5Å; I172-V176 PolarHBondContact O-N 3.12Å
173G96.6Very high93.6Very high0 Ų050.1 Ų50.10%027%0.265CS..Hα-helixtrans-63.8-41.4177.200000113.2M125 V169 D170 L171 G177M125-G173 WeakPolarHBondContact CA-O 3.12Å; M125-G173 WeakPolarHBondContact CB-O 3.4Å; V169-G173 PolarHBondContact O-N 2.96Å; D170-G173 PolarHBondContact O-N 3.3Å; L171-G173 VanDerWaalsContact C-N 3.33Å; G173-G177 PolarHBondContact O-N 3.43Å
174I97.3Very high93.9Very high13 Ų1345.8 Ų45.87%0.06724%0.241CC..Hα-helixtrans-59.7-46.4172-71.3168.7000110.5M124 Y128 P153 W154 F157 D170 L171 H178M124-I174 HydrophobicContact CE-CD1 4.11Å; M124-I174 HydrophobicContact CE-CG1 3.78Å; M124-I174 HydrophobicContact CG-CG1 4.15Å; Y128-I174 HydrophobicContact CD2-CB 4.22Å; Y128-I174 HydrophobicContact CD2-CG1 4.28Å; Y128-I174 HydrophobicContact CD2-CG2 3.83Å; Y128-I174 HydrophobicContact CE2-CG2 3.73Å; P153-I174 HydrophobicContact CB-CD1 4.35Å; P153-I174 HydrophobicContact CB-CG1 4.11Å; W154-I174 HydrophobicContact CE3-CD1 4.22Å; W154-I174 HydrophobicContact CH2-CG2 4.33Å; W154-I174 HydrophobicContact CZ2-CG2 4.32Å; W154-I174 HydrophobicContact CZ3-CD1 4.18Å; F157-I174 HydrophobicContact CB-CD1 4.39Å; D170-I174 VanDerWaalsContact O-CG1 3.31Å; D170-I174 WeakPolarHBondContact O-CG1 3.16Å; D170-I174 PolarHBondContact O-N 3.47Å; L171-I174 PolarHBondContact O-N 3Å; I174-H178 VanDerWaalsContact O-CB 3.27Å; I174-H178 WeakPolarHBondContact O-CB 3.44Å; I174-H178 PolarHBondContact O-N 2.9Å
175F97.6Very high94.3Very high115 Ų11544.2 Ų44.250%0.50422%0.217SC..Hα-helixtrans-64.2-48.9179.6175.5-101.9000112.4I109 L171 I172 G177 H178 L179I109-F175 HydrophobicContact CD1-CD1 4.07Å; I109-F175 HydrophobicContact CD1-CE1 4.2Å; L171-F175 WeakPolarHBondContact O-CB 3.1Å; L171-F175 PolarHBondContact O-N 3.16Å; I172-F175 PolarHBondContact O-N 3Å; F175-G177 PolarHBondContact O-N 3.15Å; F175-H178 PolarHBondContact O-N 3.35Å; F175-L179 PolarHBondContact O-N 3.08Å
176V97.8Very high94.8Very high0 Ų043.1 Ų43.10%021%0.213CC..Hα-helixtrans-59.8-46.9177.6167.60000110.4C102 L105 I109 M125 I172 H178 L179 Y180C102-V176 HydrophobicContact CB-CG1 3.75Å; L105-V176 HydrophobicContact CD2-CB 4.3Å; L105-V176 HydrophobicContact CD2-CG1 4.18Å; L105-V176 HydrophobicContact CD2-CG2 3.97Å; L105-V176 HydrophobicContact CG-CG2 4.16Å; I109-V176 HydrophobicContact CD1-CG2 3.8Å; M125-V176 HydrophobicContact CB-CB 4.46Å; M125-V176 HydrophobicContact CB-CG1 4.15Å; M125-V176 HydrophobicContact CG-CG1 4.4Å; I172-V176 HydrophobicContact CG2-CG2 4.13Å; I172-V176 WeakPolarHBondContact O-CB 3.27Å; I172-V176 VanDerWaalsContact O-CG2 3.26Å; I172-V176 WeakPolarHBondContact O-CG2 3.5Å; I172-V176 PolarHBondContact O-N 3.12Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 3.22Å; V176-L179 PolarHBondContact O-N 2.88Å; V176-Y180 PolarHBondContact O-N 3.43Å
177G97.6Very high95.1Very high0 Ų041.3 Ų41.30%020%0.199CC..Hα-helixtrans-62.6-39.2176.100000112.6G173 F175 Y181G173-G177 PolarHBondContact O-N 3.43Å; F175-G177 PolarHBondContact O-N 3.15Å; G177-Y181 VanDerWaalsContact O-CB 3.31Å; G177-Y181 WeakPolarHBondContact O-CB 3.43Å; G177-Y181 PolarHBondContact O-N 2.91Å
178H97.7Very high95.2Very high73 Ų7339.3 Ų39.334%0.33819%0.191SC..Hα-helixtrans-65.1-44.2175.6-173.863.1000112.3Y128 I174 F175 V176 Y181 F182Y128-H178 HydrophobicContact CD1-CB 4.46Å; Y128-H178 HydrophobicContact CE1-CB 3.68Å; Y128-H178 AromaticContact CE1-ND1 3.92Å; Y128-H178 HydrophobicContact CE2-CB 4.41Å; Y128-H178 AromaticContact CZ-ND1 3.67Å; Y128-H178 PolarHBondContact OH-ND1 3.42Å; I174-H178 VanDerWaalsContact O-CB 3.27Å; I174-H178 WeakPolarHBondContact O-CB 3.44Å; I174-H178 PolarHBondContact O-N 2.9Å; F175-H178 PolarHBondContact O-N 3.35Å; V176-H178 VanDerWaalsContact C-N 3.33Å; V176-H178 PolarHBondContact O-N 3.22Å; H178-Y181 PolarHBondContact O-N 2.99Å; H178-F182 VanDerWaalsContact O-CB 3.26Å; H178-F182 WeakPolarHBondContact O-CB 3.5Å; H178-F182 PolarHBondContact O-N 3.39Å
179L97.3Very high95.2Very high53 Ų5340.8 Ų40.828%0.27720%0.201SC..Hα-helixtrans-63.9-44.1179.2-171.561.7000110.9F101 L105 F175 V176 F182 L183F101-L179 HydrophobicContact CZ-CD2 4.48Å; L105-L179 HydrophobicContact CD1-CD2 4.38Å; L105-L179 HydrophobicContact CD2-CB 4.35Å; L105-L179 HydrophobicContact CD2-CD2 3.6Å; L105-L179 HydrophobicContact CD2-CG 4.46Å; F175-L179 PolarHBondContact O-N 3.08Å; V176-L179 PolarHBondContact O-N 2.88Å; L179-F182 PolarHBondContact O-N 3.23Å; L179-L183 HydrophobicContact CD1-CD1 4.06Å; L179-L183 HydrophobicContact CD1-CG 4.23Å; L179-L183 HydrophobicContact CG-CD1 3.86Å; L179-L183 HydrophobicContact CG-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CB 3.12Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 2.91Å
180Y97.2Very high95.1Very high5 Ų544.3 Ų44.32%0.0222%0.216CC..Hα-helixtrans-59.4-53.2174.4177.9-99000111.7Y88 M98 F101 V129 V176 F182 L183 E184 L197Y88-Y180 PolarHBondContact OH-OH 2.89Å; M98-Y180 HydrophobicContact CB-CE1 4.19Å; M98-Y180 HydrophobicContact CB-CE2 3.8Å; M98-Y180 HydrophobicContact CG-CD1 3.91Å; M98-Y180 HydrophobicContact CG-CD2 4.08Å; M98-Y180 HydrophobicContact CG-CE1 3.5Å; M98-Y180 VanDerWaalsContact CG-CE1 3.5Å; M98-Y180 HydrophobicContact CG-CE2 3.7Å; M98-Y180 HydrophobicContact CG-CG 4.19Å; M98-Y180 VanDerWaalsContact CG-CZ 3.4Å; M98-Y180 HydrophobicContact SD-CD1 4.18Å; M98-Y180 HydrophobicContact SD-CE1 3.64Å; F101-Y180 AromaticContact CD1-CD2 3.6Å; F101-Y180 HydrophobicContact CD1-CD2 3.6Å; F101-Y180 HydrophobicContact CD1-CG 4.34Å; F101-Y180 HydrophobicContact CE1-CD2 4.14Å; F101-Y180 HydrophobicContact CG-CD2 4.37Å; V129-Y180 HydrophobicContact CG1-CD1 4.15Å; V129-Y180 HydrophobicContact CG1-CE1 4.16Å; V129-Y180 HydrophobicContact CG2-CD1 3.74Å; V176-Y180 PolarHBondContact O-N 3.43Å; Y180-F182 VanDerWaalsContact C-N 3.27Å; Y180-F182 PolarHBondContact O-N 3Å; Y180-L183 PolarHBondContact O-N 3.42Å; Y180-E184 HydrophobicContact CE1-CB 4.28Å; Y180-E184 HydrophobicContact CE1-CG 4.43Å; Y180-E184 HydrophobicContact CE2-CB 4.36Å; Y180-E184 WeakPolarHBondContact O-CB 3.41Å; Y180-E184 PolarHBondContact O-N 3.48Å; Y180-L197 HydrophobicContact CD2-CD1 3.61Å; Y180-L197 HydrophobicContact CE2-CD1 3.6Å
181Y96.1Very high94.9Very high39 Ų3950.5 Ų50.515%0.15325%0.254CS..Hα-helixtrans-57.4-41178.4174.2-95.5000111.9R132 R133 G177 H178 D185 V186R132-Y181 HydrophobicContact CB-CD1 4.1Å; R132-Y181 HydrophobicContact CB-CD2 3.58Å; R132-Y181 HydrophobicContact CB-CE1 4.06Å; R132-Y181 HydrophobicContact CB-CE2 3.51Å; R132-Y181 HydrophobicContact CB-CG 3.88Å; R132-Y181 HydrophobicContact CG-CD1 4.33Å; R132-Y181 HydrophobicContact CG-CD2 4.5Å; R132-Y181 HydrophobicContact CG-CG 4.33Å; R133-Y181 HydrophobicContact CG-CD2 4.16Å; R133-Y181 HydrophobicContact CG-CE2 4.03Å; G177-Y181 VanDerWaalsContact O-CB 3.31Å; G177-Y181 WeakPolarHBondContact O-CB 3.43Å; G177-Y181 PolarHBondContact O-N 2.91Å; H178-Y181 PolarHBondContact O-N 2.99Å; Y181-D185 HydrophobicContact CD2-CB 3.87Å; Y181-D185 HydrophobicContact CE2-CB 3.69Å; Y181-D185 HydrophobicContact CG-CB 4.47Å; Y181-D185 WeakPolarHBondContact O-CA 3.31Å; Y181-D185 VanDerWaalsContact O-CB 3.29Å; Y181-D185 WeakPolarHBondContact O-CB 3.23Å; Y181-D185 PolarHBondContact O-N 3.4Å; Y181-V186 HydrophobicContact CD1-CG2 3.96Å; Y181-V186 HydrophobicContact CE1-CG2 3.46Å; Y181-V186 VanDerWaalsContact CE1-CG2 3.46Å; Y181-V186 PolarHBondContact O-N 2.86Å
182F95.9Very high94.5Very high69 Ų6954.4 Ų54.430%0.30328%0.275SS..Iπ-helixtrans-64.3-47.4177.5-179.4-94.2000111.5H178 L179 Y180 V186 Y187H178-F182 VanDerWaalsContact O-CB 3.26Å; H178-F182 WeakPolarHBondContact O-CB 3.5Å; H178-F182 PolarHBondContact O-N 3.39Å; L179-F182 PolarHBondContact O-N 3.23Å; Y180-F182 VanDerWaalsContact C-N 3.27Å; Y180-F182 PolarHBondContact O-N 3Å; F182-V186 HydrophobicContact CD2-CB 3.82Å; F182-V186 HydrophobicContact CD2-CG1 3.85Å; F182-V186 HydrophobicContact CD2-CG2 4.34Å; F182-V186 HydrophobicContact CE2-CB 4.23Å; F182-V186 HydrophobicContact CE2-CG1 3.81Å; F182-V186 HydrophobicContact CG-CB 4.4Å; F182-V186 CarbonylContact O-C 3.35Å; F182-V186 WeakPolarHBondContact O-CB 3.45Å; F182-V186 PolarHBondContact O-N 2.83Å; F182-Y187 HydrophobicContact CE1-CD2 4.22Å; F182-Y187 HydrophobicContact CZ-CD2 4.49Å; F182-Y187 WeakPolarHBondContact O-CB 3.44Å; F182-Y187 PolarHBondContact O-N 2.61Å
183L95.3Very high94.1Very high27 Ų2754.7 Ų54.714%0.14128%0.283CS..Iπ-helixtrans-71.8-30-177-65.1170.4000113.4F101 L179 Y180 P188 I196 L197F101-L183 HydrophobicContact CE1-CD1 4.35Å; F101-L183 HydrophobicContact CE2-CD1 4.25Å; F101-L183 HydrophobicContact CZ-CD1 3.59Å; L179-L183 HydrophobicContact CD1-CD1 4.06Å; L179-L183 HydrophobicContact CD1-CG 4.23Å; L179-L183 HydrophobicContact CG-CD1 3.86Å; L179-L183 HydrophobicContact CG-CG 4.42Å; L179-L183 WeakPolarHBondContact O-CB 3.12Å; L179-L183 WeakPolarHBondContact O-CG 3.47Å; L179-L183 PolarHBondContact O-N 2.91Å; Y180-L183 PolarHBondContact O-N 3.42Å; L183-P188 VanDerWaalsContact O-CD 3.28Å; L183-P188 WeakPolarHBondContact O-CD 3.44Å; L183-P188 WeakPolarHBondContact O-CG 3.38Å; L183-I196 HydrophobicContact CD2-CD1 3.76Å; L183-L197 HydrophobicContact CB-CD1 4.15Å; L183-L197 HydrophobicContact CB-CG 4.49Å
184E93.2Very high93.7Very high40 Ų4059.9 Ų59.919%0.18731%0.306CS..Iπ-helixtrans-91.6-45-177.8-173.762.8-163.300112.7Y180 P188 L197Y180-E184 HydrophobicContact CE1-CB 4.28Å; Y180-E184 HydrophobicContact CE1-CG 4.43Å; Y180-E184 HydrophobicContact CE2-CB 4.36Å; Y180-E184 WeakPolarHBondContact O-CB 3.41Å; Y180-E184 PolarHBondContact O-N 3.48Å; E184-P188 WeakPolarHBondContact O-CG 3.45Å; E184-L197 HydrophobicContact CB-CD1 4.44Å
185D92.5Very high93.3Very high34 Ų3466.6 Ų66.618%0.18233%0.33CS..Iπ-helixtrans-105.2-30-169.2-59.1-114.4000112.9R133 Y181 N189R133-D185 IonicContact CZ-OD1 2.62Å; R133-D185 IonicContact CZ-OD2 3.99Å; R133-D185 IonicContact NE-OD1 3.04Å; R133-D185 PolarHBondContact NE-OD1 2.82Å; R133-D185 IonicContact NE-OD2 3.58Å; R133-D185 PolarHBondContact NE-OD2 3.02Å; R133-D185 IonicContact NH2-OD1 3.76Å; R133-D185 IonicContact NH2-OD2 2.81Å; R133-D185 PolarHBondContact NH2-OD2 3.25Å; Y181-D185 HydrophobicContact CD2-CB 3.87Å; Y181-D185 HydrophobicContact CE2-CB 3.69Å; Y181-D185 HydrophobicContact CG-CB 4.47Å; Y181-D185 WeakPolarHBondContact O-CA 3.31Å; Y181-D185 VanDerWaalsContact O-CB 3.29Å; Y181-D185 WeakPolarHBondContact O-CB 3.23Å; Y181-D185 PolarHBondContact O-N 3.4Å; D185-N189 PolarHBondContact O-ND2 2.83Å
186V93.3Very high92.8Very high44 Ų4464.8 Ų64.827%0.26733%0.325SS..Iπ-helixtrans-98.1-56.9-174.7-176.80000111.9Y181 F182 N189 Q190Y181-V186 HydrophobicContact CD1-CG2 3.96Å; Y181-V186 HydrophobicContact CE1-CG2 3.46Å; Y181-V186 VanDerWaalsContact CE1-CG2 3.46Å; Y181-V186 PolarHBondContact O-N 2.86Å; F182-V186 HydrophobicContact CD2-CB 3.82Å; F182-V186 HydrophobicContact CD2-CG1 3.85Å; F182-V186 HydrophobicContact CD2-CG2 4.34Å; F182-V186 HydrophobicContact CE2-CB 4.23Å; F182-V186 HydrophobicContact CE2-CG1 3.81Å; F182-V186 HydrophobicContact CG-CB 4.4Å; F182-V186 CarbonylContact O-C 3.35Å; F182-V186 WeakPolarHBondContact O-CB 3.45Å; F182-V186 PolarHBondContact O-N 2.83Å; V186-N189 PolarHBondContact O-N 3.18Å; V186-N189 VanDerWaalsContact O-N 3.1Å; V186-Q190 PolarHBondContact O-N 3.23Å
187Y93.2Very high92.2Very high62 Ų6266.2 Ų66.224%0.24333%0.332CS..G310 helixtrans-58.8-44.4-173.3-177.8-101.6000113.2F182 N189 Q190 G193 F194 I196F182-Y187 HydrophobicContact CE1-CD2 4.22Å; F182-Y187 HydrophobicContact CZ-CD2 4.49Å; F182-Y187 WeakPolarHBondContact O-CB 3.44Å; F182-Y187 PolarHBondContact O-N 2.61Å; Y187-N189 PolarHBondContact O-N 3.46Å; Y187-N189 VanDerWaalsContact O-N 3.17Å; Y187-Q190 PolarHBondContact O-N 2.89Å; Y187-Q190 VanDerWaalsContact O-N 3.16Å; Y187-G193 WeakPolarHBondContact O-CA 3.27Å; Y187-F194 WeakPolarHBondContact CD1-O 3.5Å; Y187-F194 HydrophobicContact CE1-CD1 4.14Å; Y187-F194 HydrophobicContact CE1-CE1 4.01Å; Y187-F194 HydrophobicContact CE1-CZ 4.29Å; Y187-F194 WeakPolarHBondContact OH-CE1 3.42Å; Y187-I196 HydrophobicContact CD1-CD1 3.63Å; Y187-I196 HydrophobicContact CD1-CG1 4Å; Y187-I196 HydrophobicContact CE1-CD1 3.5Å; Y187-I196 HydrophobicContact CE1-CG1 3.84Å; Y187-I196 HydrophobicContact CG-CD1 4.47Å
188P92.3Very high91.6Very high24 Ų2475 Ų7516%0.15637%0.366CS..G310 helixtrans-66-19179-22.937.6000113.8L183 E184 R195L183-P188 VanDerWaalsContact O-CD 3.28Å; L183-P188 WeakPolarHBondContact O-CD 3.44Å; L183-P188 WeakPolarHBondContact O-CG 3.38Å; E184-P188 WeakPolarHBondContact O-CG 3.45Å; P188-R195 HydrophobicContact CB-CG 4.04Å; P188-R195 HydrophobicContact CG-CG 4.2Å
189N91.9Very high91.1Very high140 Ų14072 Ų7275%0.74935%0.352SS*.G310 helixtrans-93.7-0.6179.5-70-38.6000113.3D185 V186 Y187D185-N189 PolarHBondContact O-ND2 2.83Å; V186-N189 PolarHBondContact O-N 3.18Å; V186-N189 VanDerWaalsContact O-N 3.1Å; Y187-N189 PolarHBondContact O-N 3.46Å; Y187-N189 VanDerWaalsContact O-N 3.17Å
190Q90.7Very high90.7Very high95 Ų9571.5 Ų71.544%0.44435%0.352SS..SBendtrans-80.3162.8174.1-65-173.3-3.100111.6V186 Y187 N192 G193V186-Q190 PolarHBondContact O-N 3.23Å; Y187-Q190 PolarHBondContact O-N 2.89Å; Y187-Q190 VanDerWaalsContact O-N 3.16Å; Q190-N192 PolarHBondContact O-N 3.12Å; Q190-G193 WeakPolarHBondContact O-CA 3.38Å; Q190-G193 PolarHBondContact O-N 2.92Å
191V88Confident90.2Very high140 Ų14077.4 Ų77.485%0.84838%0.38SS*.THydrogen-bonded Turntrans-61.3121.3171.7-175.80000108.2G193V191-G193 VanDerWaalsContact C-N 3.31Å
192N87.9Confident89.9Confident150 Ų15082.4 Ų82.480%0.80240%0.403SS*.THydrogen-bonded Turntrans70.714.6-169.6-50.7-36.5000115.9Q190Q190-N192 PolarHBondContact O-N 3.12Å
193G86.6Confident89.4Confident25 Ų2579.4 Ų79.426%0.25839%0.39SS..  trans-63.3139.3172.500000112.2Y187 Q190 V191Y187-G193 WeakPolarHBondContact O-CA 3.27Å; Q190-G193 WeakPolarHBondContact O-CA 3.38Å; Q190-G193 PolarHBondContact O-N 2.92Å; V191-G193 VanDerWaalsContact C-N 3.31Å
194F89.3Confident89Confident110 Ų11081.4 Ų81.448%0.48240%0.398SS..  trans-135.115517062.6-88000109.9Y187 I196Y187-F194 WeakPolarHBondContact CD1-O 3.5Å; Y187-F194 HydrophobicContact CE1-CD1 4.14Å; Y187-F194 HydrophobicContact CE1-CE1 4.01Å; Y187-F194 HydrophobicContact CE1-CZ 4.29Å; Y187-F194 WeakPolarHBondContact OH-CE1 3.42Å; F194-I196 HydrophobicContact CD2-CG1 4.15Å; F194-I196 HydrophobicContact CE2-CG1 3.69Å; F194-I196 HydrophobicContact CZ-CG1 4.23Å; F194-I196 PolarHBondContact O-N 3.01Å; F194-I196 VanDerWaalsContact O-N 3.16Å
195R87.7Confident88.5Confident154 Ų15487.8 Ų87.858%0.58142%0.421SS*.  trans-72.8109.6177-66.7-171.2-177.7-177.41.1110.5P188 R198P188-R195 HydrophobicContact CB-CG 4.04Å; P188-R195 HydrophobicContact CG-CG 4.2Å; R195-R198 HydrophobicContact CB-CG 4.34Å; R195-R198 WeakPolarHBondContact O-CG 3.4Å; R195-R198 PolarHBondContact O-NE 2.95Å; R195-R198 VanDerWaalsContact O-NE 3.15Å
196I87.1Confident88.1Confident77 Ų7791.2 Ų91.240%0.39544%0.439SS..SBendtrans-76.3-46.1175-59.6176.3000110L183 Y187 F194 R198L183-I196 HydrophobicContact CD2-CD1 3.76Å; Y187-I196 HydrophobicContact CD1-CD1 3.63Å; Y187-I196 HydrophobicContact CD1-CG1 4Å; Y187-I196 HydrophobicContact CE1-CD1 3.5Å; Y187-I196 HydrophobicContact CE1-CG1 3.84Å; Y187-I196 HydrophobicContact CG-CD1 4.47Å; F194-I196 HydrophobicContact CD2-CG1 4.15Å; F194-I196 HydrophobicContact CE2-CG1 3.69Å; F194-I196 HydrophobicContact CZ-CG1 4.23Å; F194-I196 PolarHBondContact O-N 3.01Å; F194-I196 VanDerWaalsContact O-N 3.16Å; I196-R198 VanDerWaalsContact C-N 3.33Å; I196-R198 PolarHBondContact O-N 2.79Å
197L85.6Confident87.6Confident29 Ų2993 Ų9315%0.15244%0.443CS..SBendtrans-84.772.9-177.7-59.2177.2000110.9F101 Y180 L183 E184F101-L197 HydrophobicContact CD1-CD1 4.34Å; F101-L197 HydrophobicContact CD2-CD1 4.49Å; F101-L197 HydrophobicContact CD2-CD2 3.41Å; F101-L197 VanDerWaalsContact CD2-CD2 3.41Å; F101-L197 HydrophobicContact CE2-CD2 3.67Å; F101-L197 HydrophobicContact CG-CD1 4.31Å; F101-L197 HydrophobicContact CG-CD2 3.94Å; F101-L197 HydrophobicContact CZ-CD2 4.39Å; Y180-L197 HydrophobicContact CD2-CD1 3.61Å; Y180-L197 HydrophobicContact CE2-CD1 3.6Å; L183-L197 HydrophobicContact CB-CD1 4.15Å; L183-L197 HydrophobicContact CB-CG 4.49Å; E184-L197 HydrophobicContact CB-CD1 4.44Å
198R85Confident86.9Confident185 Ų18592.4 Ų92.470%0.69844%0.444SS*.PPolyproline II helixtrans-85.1116175.2-63.1-175.8-173.1-170.4-0.5110.3R195 I196R195-R198 HydrophobicContact CB-CG 4.34Å; R195-R198 WeakPolarHBondContact O-CG 3.4Å; R195-R198 PolarHBondContact O-NE 2.95Å; R195-R198 VanDerWaalsContact O-NE 3.15Å; I196-R198 VanDerWaalsContact C-N 3.33Å; I196-R198 PolarHBondContact O-N 2.79Å
199T87.8Confident85.6Confident10 Ų1099.2 Ų99.26%0.06147%0.467CS..PPolyproline II helixtrans-61.5125.3170.8-57.10000110.6A93 D94 M97 M203 K204A93-T199 HydrophobicContact CB-CG2 3.67Å; D94-T199 WeakPolarHBondContact OD1-CB 3.33Å; D94-T199 PolarHBondContact OD1-OG1 3.26Å; M97-T199 HydrophobicContact CG-CG2 3.63Å; M97-T199 WeakPolarHBondContact CG-OG1 3.28Å; T199-M203 HydrophobicContact CG2-CB 4.01Å; T199-K204 HydrophobicContact CG2-CG 3.94Å; T199-K204 WeakPolarHBondContact O-CE 3.22Å
200P88.8Confident84.3Confident43 Ų4396 Ų9628%0.27944%0.444SS..PPolyproline II helixtrans-66.5143.7-179.529.1-35.1000110.9M97 F202 M203 K204M97-P200 HydrophobicContact SD-CG 4.36Å; P200-F202 VanDerWaalsContact C-N 3.25Å; P200-F202 HydrophobicContact CB-CD1 3.67Å; P200-F202 HydrophobicContact CB-CE1 3.52Å; P200-F202 HydrophobicContact CG-CD1 3.94Å; P200-F202 HydrophobicContact CG-CE1 3.39Å; P200-F202 HydrophobicContact CG-CZ 3.96Å; P200-F202 PolarHBondContact O-N 3.18Å; P200-M203 HydrophobicContact CG-CB 4.26Å; P200-M203 HydrophobicContact CG-CG 3.82Å; P200-M203 HydrophobicContact CG-SD 3.56Å; P200-M203 VanDerWaalsContact CG-SD 3.56Å; P200-M203 WeakPolarHBondContact O-CB 3.35Å; P200-M203 PolarHBondContact O-N 2.55Å; P200-K204 PolarHBondContact O-N 2.82Å
201E86.4Confident82.8Confident129 Ų129100.1 Ų100.160%0.60346%0.463SS*.Hα-helixtrans-60.2-32.4-171.6-67.2-56.3129.100113.5M203 K204 Y205E201-M203 VanDerWaalsContact C-N 3.25Å; E201-M203 PolarHBondContact O-N 3.2Å; E201-K204 WeakPolarHBondContact O-CB 3.45Å; E201-K204 PolarHBondContact O-N 2.73Å; E201-K204 VanDerWaalsContact O-N 3.16Å; E201-K204 IonicContact OE1-NZ 2.71Å; E201-K204 PolarHBondContact OE1-NZ 3.03Å; E201-K204 IonicContact OE2-NZ 3.93Å; E201-Y205 PolarHBondContact O-N 2.89Å
202F88.8Confident81.6Confident143 Ų14397.9 Ų97.963%0.62745%0.446SS*.Hα-helixtrans-61.5-34.3176.880.5-94.2000112.3P200 Y205 L206P200-F202 VanDerWaalsContact C-N 3.25Å; P200-F202 HydrophobicContact CB-CD1 3.67Å; P200-F202 HydrophobicContact CB-CE1 3.52Å; P200-F202 HydrophobicContact CG-CD1 3.94Å; P200-F202 HydrophobicContact CG-CE1 3.39Å; P200-F202 HydrophobicContact CG-CZ 3.96Å; P200-F202 PolarHBondContact O-N 3.18Å; F202-Y205 PolarHBondContact O-N 3.25Å; F202-L206 PolarHBondContact O-N 2.95Å; F202-L206 VanDerWaalsContact O-N 3.12Å
203M86.1Confident80.5Confident7 Ų794.9 Ų94.93%0.03443%0.43CS..Hα-helixtrans-70.7-38.6176.7-73-179.561.700111.3A93 V96 M97 L100 T199 P200 E201 Y205 L206 F207A93-M203 HydrophobicContact CB-CB 4.11Å; A93-M203 WeakPolarHBondContact CB-O 3.46Å; V96-M203 HydrophobicContact CB-CE 3.78Å; V96-M203 HydrophobicContact CG1-CE 3.52Å; M97-M203 HydrophobicContact CG-CE 3.56Å; M97-M203 HydrophobicContact CG-SD 3.9Å; M97-M203 HydrophobicContact SD-CE 3.6Å; M97-M203 HydrophobicContact SD-SD 3.31Å; L100-M203 HydrophobicContact CD1-CE 3.97Å; L100-M203 HydrophobicContact CD1-SD 4.22Å; T199-M203 HydrophobicContact CG2-CB 4.01Å; P200-M203 HydrophobicContact CG-CB 4.26Å; P200-M203 HydrophobicContact CG-CG 3.82Å; P200-M203 HydrophobicContact CG-SD 3.56Å; P200-M203 VanDerWaalsContact CG-SD 3.56Å; P200-M203 WeakPolarHBondContact O-CB 3.35Å; P200-M203 PolarHBondContact O-N 2.55Å; E201-M203 VanDerWaalsContact C-N 3.25Å; E201-M203 PolarHBondContact O-N 3.2Å; M203-Y205 VanDerWaalsContact C-N 3.31Å; M203-Y205 PolarHBondContact O-N 3.41Å; M203-L206 PolarHBondContact O-N 3.18Å; M203-F207 HydrophobicContact CB-CD2 4.18Å; M203-F207 HydrophobicContact CE-CD2 4.43Å; M203-F207 HydrophobicContact CE-CE2 4.24Å; M203-F207 HydrophobicContact CG-CE2 4.44Å; M203-F207 WeakPolarHBondContact O-CB 3.29Å; M203-F207 WeakPolarHBondContact O-CD2 3.44Å; M203-F207 PolarHBondContact O-N 3.02Å
204K86.1Confident79.3Confident69 Ų69104.8 Ų104.830%0.346%0.459SS..Hα-helixtrans-61.3-43175.2-62.8-178.7-172.7164.10110.8A93 T199 P200 E201 L206 N208A93-K204 HydrophobicContact CB-CB 4.47Å; A93-K204 HydrophobicContact CB-CG 4.07Å; T199-K204 HydrophobicContact CG2-CG 3.94Å; T199-K204 WeakPolarHBondContact O-CE 3.22Å; P200-K204 PolarHBondContact O-N 2.82Å; E201-K204 WeakPolarHBondContact O-CB 3.45Å; E201-K204 PolarHBondContact O-N 2.73Å; E201-K204 VanDerWaalsContact O-N 3.16Å; E201-K204 IonicContact OE1-NZ 2.71Å; E201-K204 PolarHBondContact OE1-NZ 3.03Å; E201-K204 IonicContact OE2-NZ 3.93Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.31Å; K204-N208 WeakPolarHBondContact O-CB 3.36Å; K204-N208 PolarHBondContact O-N 2.83Å
205Y83.4Confident78.2Confident173 Ų173106.9 Ų106.968%0.67848%0.476SS*.Hα-helixtrans-63.7-37.2177.2-177.5-99.3000113.4E201 F202 M203 R209E201-Y205 PolarHBondContact O-N 2.89Å; F202-Y205 PolarHBondContact O-N 3.25Å; M203-Y205 VanDerWaalsContact C-N 3.31Å; M203-Y205 PolarHBondContact O-N 3.41Å; Y205-R209 VanDerWaalsContact CZ-NH2 3.3Å; Y205-R209 PolarHBondContact O-NE 3.11Å; Y205-R209 PolarHBondContact OH-NH2 3.1Å
206L84.4Confident77.2Confident107 Ų107101.7 Ų101.756%0.5646%0.456SS*.Hα-helixtrans-75.8-46.5-179.5-173.662.9000112.3F202 M203 K204F202-L206 PolarHBondContact O-N 2.95Å; F202-L206 VanDerWaalsContact O-N 3.12Å; M203-L206 PolarHBondContact O-N 3.18Å; K204-L206 VanDerWaalsContact C-N 3.33Å; K204-L206 PolarHBondContact O-N 3.31Å
207F82.4Confident76.3Confident80 Ų80106.2 Ų106.235%0.35148%0.476SS..Hα-helixtrans-99.7-33.7-168.1-65.1-67.6000114.3T92 A93 V96 M203 R209T92-F207 WeakPolarHBondContact OG1-CB 3.26Å; T92-F207 PolarHBondContact OG1-O 3.34Å; A93-F207 HydrophobicContact CB-CB 4.1Å; V96-F207 HydrophobicContact CG1-CE2 4.22Å; V96-F207 HydrophobicContact CG1-CZ 4.44Å; V96-F207 HydrophobicContact CG2-CD1 4.44Å; V96-F207 HydrophobicContact CG2-CD2 4.39Å; V96-F207 HydrophobicContact CG2-CE1 4.42Å; V96-F207 HydrophobicContact CG2-CE2 4.36Å; V96-F207 HydrophobicContact CG2-CG 4.44Å; V96-F207 HydrophobicContact CG2-CZ 4.38Å; M203-F207 HydrophobicContact CB-CD2 4.18Å; M203-F207 HydrophobicContact CE-CD2 4.43Å; M203-F207 HydrophobicContact CE-CE2 4.24Å; M203-F207 HydrophobicContact CG-CE2 4.44Å; M203-F207 WeakPolarHBondContact O-CB 3.29Å; M203-F207 WeakPolarHBondContact O-CD2 3.44Å; M203-F207 PolarHBondContact O-N 3.02Å; F207-R209 PolarHBondContact O-N 2.85Å
208N78.6Confident75.3Confident51 Ų51108.4 Ų108.427%0.27349%0.492SS..THydrogen-bonded Turntrans-77.526.3-172.9-64.7-11.3000113.8T92 A93 K204 R210T92-N208 PolarHBondContact N-OD1 3.1Å; T92-N208 PolarHBondContact OG1-OD1 3.4Å; A93-N208 VanDerWaalsContact CB-OD1 3.29Å; A93-N208 WeakPolarHBondContact CB-OD1 3.46Å; A93-N208 PolarHBondContact N-OD1 2.87Å; K204-N208 WeakPolarHBondContact O-CB 3.36Å; K204-N208 PolarHBondContact O-N 2.83Å; N208-R210 PolarHBondContact O-N 3.47Å
209R64.3Low74.3Confident166 Ų166102.1 Ų102.163%0.62647%0.472SS*.THydrogen-bonded Turntrans-80.41.6176.7-64.3-177.1-179.8-158.1-3113.4Y205 F207 Q211Y205-R209 VanDerWaalsContact CZ-NH2 3.3Å; Y205-R209 PolarHBondContact O-NE 3.11Å; Y205-R209 PolarHBondContact OH-NH2 3.1Å; F207-R209 PolarHBondContact O-N 2.85Å; R209-Q211 PolarHBondContact O-N 3.2Å
210R64.4Low73Confident72 Ų72106.2 Ų106.227%0.27250%0.499SS..PPolyproline II helixtrans-72.3116.7-174.9-164.3176.3-172.1-170.70.3110.7N208N208-R210 PolarHBondContact O-N 3.47Å
211Q60.4Low71.5Confident182 Ų182108.2 Ų108.285%0.8550%0.504SS*.PPolyproline II helixtrans-79.5127.8161.6-65.2-177-12.100107.7R209 N213R209-Q211 PolarHBondContact O-N 3.2Å; Q211-N213 PolarHBondContact O-N 2.93Å
212I62Low69.9Low93 Ų93104.2 Ų104.248%0.47749%0.489SS..PPolyproline II helixtrans-62.1122.9172.5-65.1164.2000107.3T90 R214T90-I212 HydrophobicContact CG2-CD1 3.4Å; T90-I212 VanDerWaalsContact CG2-CD1 3.4Å; T90-I212 HydrophobicContact CG2-CG1 3.78Å; I212-R214 PolarHBondContact O-N 2.71Å; I212-R214 VanDerWaalsContact O-N 3.12Å
213N64.7Low67.7Low87 Ų87100.1 Ų100.147%0.46549%0.486SS..  trans-67.1109.7167.1-173.9-2.3000107.6Q211 D215 Y216Q211-N213 PolarHBondContact O-N 2.93Å; N213-D215 PolarHBondContact O-N 2.9Å; N213-D215 PolarHBondContact OD1-N 3.02Å; N213-Y216 PolarHBondContact O-N 3.18Å
214R61.4Low65.5Low234 Ų234109.6 Ų109.688%0.88352%0.522SS*.THydrogen-bonded Turntrans-66.7-23-175-70.9-176.2175.8-179.4-1.4112.9I212 Y216I212-R214 PolarHBondContact O-N 2.71Å; I212-R214 VanDerWaalsContact O-N 3.12Å; R214-Y216 VanDerWaalsContact C-N 3.31Å
215D66.7Low63.1Low154 Ų154111.6 Ų111.682%0.82454%0.542SS*.THydrogen-bonded Turntrans-90.50.2-177.2-54.8-32.2000112.4N213N213-D215 PolarHBondContact O-N 2.9Å; N213-D215 PolarHBondContact OD1-N 3.02Å
216Y67.6Low60.9Low45 Ų45106.9 Ų106.918%0.17655%0.546CS..PPolyproline II helixtrans-97.7118.1179.8176-108.4000111.1N10 R81 E85 N213 R214N10-Y216 HydrophobicContact CB-CD2 3.7Å; N10-Y216 HydrophobicContact CB-CE2 3.39Å; N10-Y216 WeakPolarHBondContact ND2-CD2 3.48Å; R81-Y216 PolarHBondContact NE-OH 3.36Å; R81-Y216 PolarHBondContact NH2-OH 2.86Å; E85-Y216 WeakPolarHBondContact OE1-CE1 3.37Å; E85-Y216 PolarHBondContact OE1-OH 2.76Å; E85-Y216 PolarHBondContact OE2-OH 2.96Å; N213-Y216 PolarHBondContact O-N 3.18Å; R214-Y216 VanDerWaalsContact C-N 3.31Å
217E68Low58.6Low172 Ų172104.3 Ų104.380%0.80455%0.545SS*.PPolyproline II helixtrans-81.1123168.3-68.1-174.7171.300109.4
218P64.7Low56.6Low75 Ų75108.4 Ų108.449%0.48756%0.563SS.*PPolyproline II helixtrans-59.2156.1175.426.1-32.8000110.1E85 P220E85-P218 HydrophobicContact CB-CB 4.29Å; P218-P220 VanDerWaalsContact O-N 3.14Å
219L63.9Low54.9Low52 Ų52112.8 Ų112.827%0.27259%0.586SS.*PPolyproline II helixtrans-51128.2177.2-77.1176.9000109.2R81 E85 E221R81-L219 HydrophobicContact CB-CD1 4.44Å; R81-L219 HydrophobicContact CG-CD1 3.9Å; R81-L219 VanDerWaalsContact CZ-CG 3.47Å; E85-L219 PolarHBondContact OE2-N 3.39Å; L219-E221 PolarHBondContact O-N 2.8Å
220P59.8Low54.2Low97 Ų97115.1 Ų115.163%0.6360%0.596SS**PPolyproline II helixtrans-54.4132.817919.2-29.5000108P218 V222P218-P220 VanDerWaalsContact O-N 3.14Å; P220-V222 PolarHBondContact O-N 3.15Å
221E58.5Low53.1Low84 Ų84118.2 Ų118.239%0.39362%0.617SS.*SBendtrans-67.330.4-177.8-68-168.5156.300113.6T86 V137 L219T86-E221 WeakPolarHBondContact CG2-OE1 3.2Å; T86-E221 PolarHBondContact OG1-OE1 2.79Å; V137-E221 WeakPolarHBondContact CG1-O 3.48Å; L219-E221 PolarHBondContact O-N 2.8Å
222V53.1Low52.1Low46 Ų46112.9 Ų112.928%0.27961%0.611SS.*  trans94.885.5-173-168.70000112R78 V137 L139 P220R78-V222 VanDerWaalsContact NH2-CG2 3.35Å; V137-V222 HydrophobicContact CG1-CB 4.33Å; V137-V222 HydrophobicContact CG1-CG2 4.25Å; L139-V222 HydrophobicContact CD2-CB 4.2Å; L139-V222 HydrophobicContact CD2-CG1 4.13Å; L139-V222 HydrophobicContact CD2-CG2 3.44Å; L139-V222 VanDerWaalsContact CD2-CG2 3.44Å; P220-V222 PolarHBondContact O-N 3.15Å
223G40.9Very low51.2Low56 Ų56119 Ų11958%0.57763%0.628SS**  trans-97.8119.1143.800000108.2
224R40.5Very low49.9Very low207 Ų207127.8 Ų127.878%0.78167%0.666SS**  trans20.6120.1164.6-67.3174.7171.7164.6-3.1117.5G226 G227R224-G226 PolarHBondContact O-N 3.16Å; R224-G227 PolarHBondContact O-N 2.75Å
225P35.8Very low49.3Very low111 Ų111122.5 Ų122.572%0.72166%0.656SS**THydrogen-bonded Turntrans-60.5107.516216-9.3000107.9
226G37.9Very low48.4Very low74 Ų74120.8 Ų120.876%0.76365%0.647SS**THydrogen-bonded Turntrans109.94.2-175.200000116.6R224 F228R224-G226 PolarHBondContact O-N 3.16Å; G226-F228 VanDerWaalsContact C-N 3.34Å; G226-F228 PolarHBondContact O-N 3.17Å; G226-F228 VanDerWaalsContact O-N 3.15Å
227G35.1Very low47.3Very low53 Ų53125 Ų12555%0.54667%0.673SS.*  trans-84.853179.900000115.4R224 N229R224-G227 PolarHBondContact O-N 2.75Å; G227-N229 PolarHBondContact O-N 3.1Å
228F39.8Very low46.1Very low166 Ų166122.2 Ų122.273%0.72867%0.665SS**  trans-65.6123.5158.9-93.8-84.6000107.2G226 W230G226-F228 VanDerWaalsContact C-N 3.34Å; G226-F228 PolarHBondContact O-N 3.17Å; G226-F228 VanDerWaalsContact O-N 3.15Å; F228-W230 HydrophobicContact CB-CD2 4.45Å; F228-W230 HydrophobicContact CB-CG 4.31Å; F228-W230 HydrophobicContact CB-CZ2 4.43Å; F228-W230 VanDerWaalsContact CB-NE1 3.26Å; F228-W230 PolarHBondContact O-N 3.16Å
229N43.7Very low45Very low142 Ų142125.2 Ų125.276%0.75968%0.676SS**  trans-73.680.7172.7-159.911.5000108.1G227 N231G227-N229 PolarHBondContact O-N 3.1Å; N229-N231 PolarHBondContact O-N 3.46Å; N229-N231 VanDerWaalsContact O-N 3.08Å
230W50.2Low43.7Very low216 Ų216130.1 Ų130.182%0.81870%0.703SS**  trans-67.40.3178.3-70.498.6000113.4F228 G232F228-W230 HydrophobicContact CB-CD2 4.45Å; F228-W230 HydrophobicContact CB-CG 4.31Å; F228-W230 HydrophobicContact CB-CZ2 4.43Å; F228-W230 VanDerWaalsContact CB-NE1 3.26Å; F228-W230 PolarHBondContact O-N 3.16Å; W230-G232 PolarHBondContact O-N 2.84Å; W230-G232 VanDerWaalsContact O-N 3.09Å
231N41.7Very low42.6Very low136 Ų136132.4 Ų132.473%0.72771%0.708SS**  trans-86.369.5171.8-772.9000110.6N229 R233N229-N231 PolarHBondContact O-N 3.46Å; N229-N231 VanDerWaalsContact O-N 3.08Å; N231-R233 VanDerWaalsContact C-N 3.34Å; N231-R233 PolarHBondContact O-N 3.21Å
232G39.2Very low41.3Very low70 Ų70136.2 Ų136.272%0.72273%0.733SS**  trans-80.188.8142.500000108W230W230-G232 PolarHBondContact O-N 2.84Å; W230-G232 VanDerWaalsContact O-N 3.09Å
233R41.5Very low40.4Very low223 Ų223143.7 Ų143.784%0.84277%0.771SS**  trans-151.4110158.4-69.8-161.8-173.4170.63.2109.4N231N231-R233 VanDerWaalsContact C-N 3.34Å; N231-R233 PolarHBondContact O-N 3.21Å
234E38.3Very low40.3Very low270 Ų270151.6 Ų151.6100%1.26279%0.788SS**  trans73.40159.5-57-179.9-163.800118.4

Retrieved 234 of 234 residues in 822.9 ms (Link to these results)

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