A0A3Q0KJG1_SCHMA Loading...

Tetraspanin

AlphaFold DB (Q86D97), UniProt , Accession A0A3Q0KJG1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 247 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
1M63.5Low84.5Confident203 Ų20387.9 Ų87.9100%148%0.478SS*.  0-50.50-139.4165.2-159.700113.1G3 C4 I5M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.46Å; M1-C4 PolarHBondContact O-N 3.38Å; M1-C4 VanDerWaalsContact O-N 3.11Å; M1-I5 HydrophobicContact CG-CD1 4.5Å; M1-I5 PolarHBondContact O-N 3.4Å
2K75.6Confident85.1Confident188 Ų18880.8 Ų80.882%0.81744%0.439SS*.Hα-helixtrans-49.2-44179.3-64.8-176.3178179.90114.6C4 I5 Q6K2-C4 PolarHBondContact O-N 3.27Å; K2-I5 PolarHBondContact O-N 3.26Å; K2-Q6 PolarHBondContact O-N 3.12Å
3G81.6Confident85.8Confident49 Ų4977 Ų7751%0.50542%0.42SS..Hα-helixtrans-61.6-41.2178.800000114.3M1 Q6 C7M1-G3 VanDerWaalsContact C-N 3.31Å; M1-G3 PolarHBondContact O-N 3.46Å; G3-Q6 PolarHBondContact O-N 3.42Å; G3-C7 PolarHBondContact O-N 2.94Å; G3-C7 PolarHBondContact O-SG 3.41Å
4C86.1Confident86.5Confident81 Ų8177.1 Ų77.155%0.54742%0.424SS..Hα-helixtrans-64-44.7178.4-178.60000111.4M1 K2 Q6 C7 L8M1-C4 PolarHBondContact O-N 3.38Å; M1-C4 VanDerWaalsContact O-N 3.11Å; K2-C4 PolarHBondContact O-N 3.27Å; C4-Q6 VanDerWaalsContact C-N 3.32Å; C4-Q6 PolarHBondContact O-N 3.06Å; C4-C7 WeakPolarHBondContact O-CB 3.31Å; C4-C7 PolarHBondContact O-N 3.23Å; C4-C7 VanDerWaalsContact O-N 3.15Å; C4-L8 WeakPolarHBondContact O-CG 3.38Å; C4-L8 PolarHBondContact O-N 3.06Å
5I83.7Confident86.9Confident37 Ų3776.1 Ų76.119%0.1941%0.414CS..Hα-helixtrans-60.5-43.7177.4-67.1164.9000110.8M1 K2 C7 L8 R9 T230M1-I5 HydrophobicContact CG-CD1 4.5Å; M1-I5 PolarHBondContact O-N 3.4Å; K2-I5 PolarHBondContact O-N 3.26Å; I5-C7 VanDerWaalsContact C-N 3.3Å; I5-C7 PolarHBondContact O-N 3.39Å; I5-L8 PolarHBondContact O-N 3.05Å; I5-R9 PolarHBondContact O-N 3.39Å; I5-T230 HydrophobicContact CD1-CG2 3.81Å; I5-T230 HydrophobicContact CG1-CG2 4.42Å; I5-T230 HydrophobicContact CG2-CG2 3.71Å
6Q86.9Confident87.4Confident100 Ų10071.5 Ų71.547%0.46739%0.389SS..Hα-helixtrans-60.7-42.2176.5-170.966.58.800111.2K2 G3 C4 R9 V10K2-Q6 PolarHBondContact O-N 3.12Å; G3-Q6 PolarHBondContact O-N 3.42Å; C4-Q6 VanDerWaalsContact C-N 3.32Å; C4-Q6 PolarHBondContact O-N 3.06Å; Q6-R9 PolarHBondContact O-N 3.46Å; Q6-V10 VanDerWaalsContact O-CG2 3.31Å; Q6-V10 WeakPolarHBondContact O-CG2 3.35Å; Q6-V10 PolarHBondContact O-N 3.27Å
7C89.8Confident87.9Confident76 Ų7673.7 Ų73.751%0.51439%0.394SS..Hα-helixtrans-61.2-45.8173.8-64.60000111.9G3 C4 I5 R9 V10 I11G3-C7 PolarHBondContact O-N 2.94Å; G3-C7 PolarHBondContact O-SG 3.41Å; C4-C7 WeakPolarHBondContact O-CB 3.31Å; C4-C7 PolarHBondContact O-N 3.23Å; C4-C7 VanDerWaalsContact O-N 3.15Å; I5-C7 VanDerWaalsContact C-N 3.3Å; I5-C7 PolarHBondContact O-N 3.39Å; C7-R9 VanDerWaalsContact C-N 3.34Å; C7-R9 PolarHBondContact O-N 3.21Å; C7-V10 PolarHBondContact O-N 3.11Å; C7-I11 WeakPolarHBondContact O-CB 3.5Å; C7-I11 WeakPolarHBondContact O-CD1 3.34Å; C7-I11 WeakPolarHBondContact O-CG1 3.49Å; C7-I11 PolarHBondContact O-N 3.46Å
8L88Confident88.4Confident35 Ų3574.6 Ų74.618%0.18340%0.398CS..Hα-helixtrans-60.4-42.3178.6-66.8173.4000111.9C4 I5 I11 L12 F223 V226C4-L8 WeakPolarHBondContact O-CG 3.38Å; C4-L8 PolarHBondContact O-N 3.06Å; I5-L8 PolarHBondContact O-N 3.05Å; L8-I11 PolarHBondContact O-N 2.96Å; L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 PolarHBondContact O-N 2.86Å; L8-F223 HydrophobicContact CB-CD1 4.28Å; L8-F223 HydrophobicContact CB-CE1 4.28Å; L8-F223 HydrophobicContact CD2-CD1 3.82Å; L8-F223 HydrophobicContact CD2-CE1 3.19Å; L8-F223 HydrophobicContact CD2-CE2 4.38Å; L8-F223 HydrophobicContact CD2-CZ 3.52Å; L8-F223 HydrophobicContact CG-CE1 4.31Å; L8-V226 HydrophobicContact CD1-CG1 3.89Å
9R89.3Confident88.8Confident41 Ų4172.1 Ų72.116%0.15539%0.386CS..Hα-helixtrans-60-50.6175.2-178.7-179.7-61.3-176.2-9.8111.5I5 Q6 C7 I11 L12 V13 E80 M227I5-R9 PolarHBondContact O-N 3.39Å; Q6-R9 PolarHBondContact O-N 3.46Å; C7-R9 VanDerWaalsContact C-N 3.34Å; C7-R9 PolarHBondContact O-N 3.21Å; R9-I11 VanDerWaalsContact C-N 3.33Å; R9-I11 PolarHBondContact O-N 3.42Å; R9-L12 PolarHBondContact O-N 3.45Å; R9-V13 HydrophobicContact CG-CG2 4.5Å; R9-V13 WeakPolarHBondContact O-CG2 3.41Å; R9-V13 PolarHBondContact O-N 2.98Å; R9-E80 IonicContact CZ-OE1 3.07Å; R9-E80 VanDerWaalsContact CZ-OE1 3.23Å; R9-E80 IonicContact CZ-OE2 3.78Å; R9-E80 IonicContact NH1-OE1 2.68Å; R9-E80 PolarHBondContact NH1-OE1 2.96Å; R9-E80 IonicContact NH1-OE2 3.96Å; R9-E80 IonicContact NH2-OE1 2.88Å; R9-E80 PolarHBondContact NH2-OE1 2.7Å; R9-E80 IonicContact NH2-OE2 3.39Å; R9-E80 PolarHBondContact NH2-OE2 2.82Å; R9-M227 HydrophobicContact CB-CE 3.44Å; R9-M227 VanDerWaalsContact CB-CE 3.44Å; R9-M227 HydrophobicContact CB-SD 3.88Å; R9-M227 HydrophobicContact CG-CE 3.48Å; R9-M227 VanDerWaalsContact CG-CE 3.48Å
10V92.3Very high89.3Confident76 Ų7669.2 Ų69.246%0.46137%0.371SS..Hα-helixtrans-61.6-43.2-179.6172.50000110.5Q6 C7 L12 V13 V14Q6-V10 VanDerWaalsContact O-CG2 3.31Å; Q6-V10 WeakPolarHBondContact O-CG2 3.35Å; Q6-V10 PolarHBondContact O-N 3.27Å; C7-V10 PolarHBondContact O-N 3.11Å; V10-L12 PolarHBondContact O-N 3.4Å; V10-V13 PolarHBondContact O-N 2.8Å; V10-V14 HydrophobicContact CG1-CG2 4.17Å; V10-V14 WeakPolarHBondContact O-CB 2.85Å; V10-V14 VanDerWaalsContact O-CG2 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 3.31Å
11I92.2Very high89.7Confident81 Ų8169.9 Ų69.942%0.41537%0.374SS..Hα-helixtrans-59.3-47.8176.2-69.9164.4000110.8C7 L8 R9 V13 V14 F15 F223C7-I11 WeakPolarHBondContact O-CB 3.5Å; C7-I11 WeakPolarHBondContact O-CD1 3.34Å; C7-I11 WeakPolarHBondContact O-CG1 3.49Å; C7-I11 PolarHBondContact O-N 3.46Å; L8-I11 PolarHBondContact O-N 2.96Å; R9-I11 VanDerWaalsContact C-N 3.33Å; R9-I11 PolarHBondContact O-N 3.42Å; I11-V13 PolarHBondContact O-N 3.21Å; I11-V14 PolarHBondContact O-N 3.11Å; I11-F15 WeakPolarHBondContact O-CB 3.11Å; I11-F15 PolarHBondContact O-N 3.46Å; I11-F223 HydrophobicContact CB-CE1 4.37Å; I11-F223 HydrophobicContact CG2-CE1 3.97Å
12L92.2Very high91.3Very high2 Ų264.9 Ų64.91%0.0135%0.351CS..Hα-helixtrans-64.3-41.5-178.9-173.165.8000112L8 R9 V10 N16 A77 L85 F223 M227L8-L12 WeakPolarHBondContact O-CB 3.36Å; L8-L12 PolarHBondContact O-N 2.86Å; R9-L12 PolarHBondContact O-N 3.45Å; V10-L12 PolarHBondContact O-N 3.4Å; L12-N16 VanDerWaalsContact CD1-ND2 3.32Å; L12-N16 WeakPolarHBondContact CD1-ND2 3.31Å; L12-N16 WeakPolarHBondContact O-CB 3.34Å; L12-N16 PolarHBondContact O-N 3.19Å; L12-N16 PolarHBondContact O-ND2 2.81Å; L12-A77 HydrophobicContact CD2-CB 3.93Å; L12-A77 HydrophobicContact CG-CB 4.3Å; L12-L85 HydrophobicContact CD2-CD1 4.32Å; L12-F223 HydrophobicContact CD1-CB 4.21Å; L12-M227 HydrophobicContact CD2-CG 4.33Å
13V94.3Very high92.4Very high32 Ų3256 Ų5619%0.19431%0.312CS..Hα-helixtrans-65.2-50176.8171.60000110.8R9 V10 I11 F15 N16 F17 A77R9-V13 HydrophobicContact CG-CG2 4.5Å; R9-V13 WeakPolarHBondContact O-CG2 3.41Å; R9-V13 PolarHBondContact O-N 2.98Å; V10-V13 PolarHBondContact O-N 2.8Å; I11-V13 PolarHBondContact O-N 3.21Å; V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 2.93Å; V13-N16 PolarHBondContact O-N 2.62Å; V13-F17 WeakPolarHBondContact O-CB 3.48Å; V13-F17 PolarHBondContact O-N 3.03Å; V13-A77 HydrophobicContact CG2-CB 3.58Å
14V94.7Very high93.2Very high79 Ų7957.9 Ų57.948%0.47931%0.31SS..Hα-helixtrans-60.5-45.9179.2170.10000110.5V10 I11 F17 L18V10-V14 HydrophobicContact CG1-CG2 4.17Å; V10-V14 WeakPolarHBondContact O-CB 2.85Å; V10-V14 VanDerWaalsContact O-CG2 3.25Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 3.31Å; I11-V14 PolarHBondContact O-N 3.11Å; V14-F17 PolarHBondContact O-N 3.38Å; V14-L18 WeakPolarHBondContact O-CG 2.85Å; V14-L18 PolarHBondContact O-N 2.84Å
15F93.2Very high93.7Very high61 Ų6157.4 Ų57.427%0.26831%0.307SS..Hα-helixtrans-61.8-50.7179.7-178.6-80.9000111.7I11 V13 F17 L18 V19 F216I11-F15 WeakPolarHBondContact O-CB 3.11Å; I11-F15 PolarHBondContact O-N 3.46Å; V13-F15 VanDerWaalsContact C-N 3.33Å; V13-F15 PolarHBondContact O-N 2.93Å; F15-F17 VanDerWaalsContact C-N 3.27Å; F15-F17 PolarHBondContact O-N 3.43Å; F15-L18 WeakPolarHBondContact O-CB 3.22Å; F15-L18 PolarHBondContact O-N 2.89Å; F15-L18 VanDerWaalsContact O-N 3.15Å; F15-V19 HydrophobicContact CD1-CG2 4.16Å; F15-V19 HydrophobicContact CE1-CB 4.46Å; F15-V19 HydrophobicContact CE1-CG2 3.22Å; F15-V19 HydrophobicContact CZ-CG2 3.52Å; F15-V19 PolarHBondContact O-N 3.04Å; F15-V19 VanDerWaalsContact O-N 3.07Å; F15-F216 AromaticContact CD1-CE2 3.87Å; F15-F216 HydrophobicContact CD1-CE2 3.87Å; F15-F216 AromaticContact CD1-CZ 3.59Å; F15-F216 HydrophobicContact CD1-CZ 3.59Å; F15-F216 HydrophobicContact CD2-CE2 4.03Å; F15-F216 HydrophobicContact CE1-CD2 4.49Å; F15-F216 AromaticContact CE1-CE1 3.75Å; F15-F216 HydrophobicContact CE1-CE1 3.75Å; F15-F216 AromaticContact CE1-CE2 3.26Å; F15-F216 HydrophobicContact CE1-CE2 3.26Å; F15-F216 AromaticContact CE1-CZ 2.81Å; F15-F216 HydrophobicContact CE1-CZ 2.81Å; F15-F216 HydrophobicContact CE2-CD2 4.17Å; F15-F216 AromaticContact CE2-CE2 3.34Å; F15-F216 HydrophobicContact CE2-CE2 3.34Å; F15-F216 AromaticContact CE2-CZ 3.85Å; F15-F216 HydrophobicContact CE2-CZ 3.85Å; F15-F216 HydrophobicContact CG-CE2 4.28Å; F15-F216 HydrophobicContact CG-CZ 4.43Å; F15-F216 AromaticContact CZ-CD2 3.89Å; F15-F216 HydrophobicContact CZ-CD2 3.89Å; F15-F216 AromaticContact CZ-CE1 3.83Å; F15-F216 HydrophobicContact CZ-CE1 3.83Å; F15-F216 AromaticContact CZ-CE2 2.93Å; F15-F216 HydrophobicContact CZ-CE2 2.93Å; F15-F216 AromaticContact CZ-CZ 2.95Å; F15-F216 HydrophobicContact CZ-CZ 2.95Å
16N94.9Very high94.4Very high3 Ų357.7 Ų57.72%0.01631%0.311CS..Hα-helixtrans-65.6-32.8178.9-80.4-83.7000111.7L12 V13 V19 V20 C74 Y88L12-N16 VanDerWaalsContact CD1-ND2 3.32Å; L12-N16 WeakPolarHBondContact CD1-ND2 3.31Å; L12-N16 WeakPolarHBondContact O-CB 3.34Å; L12-N16 PolarHBondContact O-N 3.19Å; L12-N16 PolarHBondContact O-ND2 2.81Å; V13-N16 PolarHBondContact O-N 2.62Å; N16-V19 CarbonylContact O-C 3.56Å; N16-V19 PolarHBondContact O-N 3.28Å; N16-V20 WeakPolarHBondContact O-CG2 3.38Å; N16-V20 PolarHBondContact O-N 3.42Å; N16-C74 HydrophobicContact CB-CB 3.95Å; N16-Y88 PolarHBondContact OD1-OH 3.46Å
17F96.1Very high95Very high109 Ų10955.2 Ų55.248%0.47830%0.301SS..Hα-helixtrans-62.2-41.5173-177.4-100.8000112V13 V14 F15 V19 V20 L21V13-F17 WeakPolarHBondContact O-CB 3.48Å; V13-F17 PolarHBondContact O-N 3.03Å; V14-F17 PolarHBondContact O-N 3.38Å; F15-F17 VanDerWaalsContact C-N 3.27Å; F15-F17 PolarHBondContact O-N 3.43Å; F17-V19 VanDerWaalsContact C-N 3.32Å; F17-V19 PolarHBondContact O-N 3.42Å; F17-V20 WeakPolarHBondContact O-CB 3.4Å; F17-V20 PolarHBondContact O-N 2.92Å; F17-L21 HydrophobicContact CD1-CD1 4.32Å; F17-L21 HydrophobicContact CE1-CD1 3.88Å; F17-L21 HydrophobicContact CE1-CG 4.25Å; F17-L21 HydrophobicContact CZ-CD1 4.49Å; F17-L21 HydrophobicContact CZ-CD2 4.34Å; F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 3.43Å
18L97Very high95.4Very high90 Ų9053.5 Ų53.547%0.47130%0.296SS..Hα-helixtrans-62.2-39.6172.7-65.8175.6000111.7V14 F15 L21 I22V14-L18 WeakPolarHBondContact O-CG 2.85Å; V14-L18 PolarHBondContact O-N 2.84Å; F15-L18 WeakPolarHBondContact O-CB 3.22Å; F15-L18 PolarHBondContact O-N 2.89Å; F15-L18 VanDerWaalsContact O-N 3.15Å; L18-L21 WeakPolarHBondContact O-CB 3.14Å; L18-L21 PolarHBondContact O-N 3.43Å; L18-I22 WeakPolarHBondContact O-CG1 3.47Å; L18-I22 PolarHBondContact O-N 3.35Å
19V96.3Very high95.8Very high27 Ų2758 Ų5816%0.16432%0.315CS..Hα-helixtrans-67.5-34.5175.4179.40000112.3F15 N16 F17 L21 I22 G23 T66 A70F15-V19 HydrophobicContact CD1-CG2 4.16Å; F15-V19 HydrophobicContact CE1-CB 4.46Å; F15-V19 HydrophobicContact CE1-CG2 3.22Å; F15-V19 HydrophobicContact CZ-CG2 3.52Å; F15-V19 PolarHBondContact O-N 3.04Å; F15-V19 VanDerWaalsContact O-N 3.07Å; N16-V19 CarbonylContact O-C 3.56Å; N16-V19 PolarHBondContact O-N 3.28Å; F17-V19 VanDerWaalsContact C-N 3.32Å; F17-V19 PolarHBondContact O-N 3.42Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 3.35Å; V19-I22 PolarHBondContact O-N 2.91Å; V19-G23 PolarHBondContact O-N 3.48Å; V19-T66 HydrophobicContact CG1-CG2 3.45Å; V19-T66 VanDerWaalsContact CG1-CG2 3.45Å; V19-A70 HydrophobicContact CB-CB 3.94Å; V19-A70 HydrophobicContact CG1-CB 3.68Å
20V98.2Very high96.2Very high14 Ų1456 Ų569%0.08531%0.307CS..Hα-helixtrans-58.4-45.6170.3165.10000110.3N16 F17 I22 G23 L24 L67 A70 L71N16-V20 WeakPolarHBondContact O-CG2 3.38Å; N16-V20 PolarHBondContact O-N 3.42Å; F17-V20 WeakPolarHBondContact O-CB 3.4Å; F17-V20 PolarHBondContact O-N 2.92Å; V20-I22 VanDerWaalsContact C-N 3.35Å; V20-I22 PolarHBondContact O-N 3.15Å; V20-G23 PolarHBondContact O-N 3.04Å; V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.38Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 3.11Å; V20-L67 HydrophobicContact CB-CD1 4.31Å; V20-L67 HydrophobicContact CG1-CD1 3.77Å; V20-L67 HydrophobicContact CG2-CD1 4.37Å; V20-A70 HydrophobicContact CG2-CB 3.59Å; V20-L71 HydrophobicContact CG1-CD2 4.49Å; V20-L71 HydrophobicContact CG2-CD2 4.02Å; V20-L71 HydrophobicContact CG2-CG 4.23Å
21L97.8Very high96.5Very high84 Ų8454.9 Ų54.944%0.4430%0.3SS..Hα-helixtrans-62.6-40.9177-63179.7000112F17 L18 V19 L24 S25F17-L21 HydrophobicContact CD1-CD1 4.32Å; F17-L21 HydrophobicContact CE1-CD1 3.88Å; F17-L21 HydrophobicContact CE1-CG 4.25Å; F17-L21 HydrophobicContact CZ-CD1 4.49Å; F17-L21 HydrophobicContact CZ-CD2 4.34Å; F17-L21 WeakPolarHBondContact O-CG 3.3Å; F17-L21 PolarHBondContact O-N 3.43Å; L18-L21 WeakPolarHBondContact O-CB 3.14Å; L18-L21 PolarHBondContact O-N 3.43Å; V19-L21 VanDerWaalsContact C-N 3.32Å; V19-L21 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.15Å; L21-S25 WeakPolarHBondContact O-CB 3.29Å; L21-S25 PolarHBondContact O-N 3.44Å; L21-S25 PolarHBondContact O-OG 3.2Å
22I97.1Very high96.7Very high98 Ų9858 Ų5850%0.50331%0.308SS..Hα-helixtrans-62-49.4174.7-66.3167.3000110.3L18 V19 V20 L24 S25 V26L18-I22 WeakPolarHBondContact O-CG1 3.47Å; L18-I22 PolarHBondContact O-N 3.35Å; V19-I22 PolarHBondContact O-N 2.91Å; V20-I22 VanDerWaalsContact C-N 3.35Å; V20-I22 PolarHBondContact O-N 3.15Å; I22-L24 PolarHBondContact O-N 3.34Å; I22-S25 PolarHBondContact O-N 3.06Å; I22-S25 VanDerWaalsContact O-N 3.13Å; I22-S25 PolarHBondContact O-OG 3.43Å; I22-V26 HydrophobicContact CG2-CG2 4.4Å; I22-V26 WeakPolarHBondContact O-CG2 3.41Å; I22-V26 PolarHBondContact O-N 3.34Å
23G98.3Very high96.8Very high1 Ų159.6 Ų59.61%0.0132%0.316CS..Hα-helixtrans-58.5-44.8178.100000112.6V19 V20 S25 V26 L27V19-G23 PolarHBondContact O-N 3.48Å; V20-G23 PolarHBondContact O-N 3.04Å; G23-S25 PolarHBondContact O-N 2.94Å; G23-V26 PolarHBondContact O-N 3.19Å; G23-L27 WeakPolarHBondContact O-CB 3.45Å; G23-L27 PolarHBondContact O-N 2.85Å
24L98.3Very high96.8Very high89 Ų8962.3 Ų62.347%0.46632%0.323SS..Hα-helixtrans-61.5-41.1174.2-75.1171.6000112.1V20 L21 I22 G28 L67V20-L24 HydrophobicContact CG1-CD1 3.91Å; V20-L24 HydrophobicContact CG1-CG 4.38Å; V20-L24 WeakPolarHBondContact O-CB 3.34Å; V20-L24 WeakPolarHBondContact O-CG 3.3Å; V20-L24 PolarHBondContact O-N 3.11Å; L21-L24 PolarHBondContact O-N 3.15Å; I22-L24 PolarHBondContact O-N 3.34Å; L24-G28 WeakPolarHBondContact O-CA 3.35Å; L24-G28 PolarHBondContact O-N 3.4Å; L24-L67 HydrophobicContact CD2-CD1 4.12Å; L24-L67 HydrophobicContact CD2-CD2 3.8Å; L24-L67 HydrophobicContact CG-CD1 3.9Å; L24-L67 HydrophobicContact CG-CD2 4.4Å
25S97.9Very high96.9Very high70 Ų7064.2 Ų64.249%0.4933%0.33SS..Hα-helixtrans-66.6-44.9179.372.50000112.4L21 I22 G23 F29L21-S25 WeakPolarHBondContact O-CB 3.29Å; L21-S25 PolarHBondContact O-N 3.44Å; L21-S25 PolarHBondContact O-OG 3.2Å; I22-S25 PolarHBondContact O-N 3.06Å; I22-S25 VanDerWaalsContact O-N 3.13Å; I22-S25 PolarHBondContact O-OG 3.43Å; G23-S25 PolarHBondContact O-N 2.94Å; S25-F29 WeakPolarHBondContact O-CB 3.3Å; S25-F29 PolarHBondContact O-N 2.87Å
26V98.3Very high96.9Very high44 Ų4464 Ų6427%0.26733%0.33SS..Hα-helixtrans-67.6-45.9179.61740000110.7I22 G23 S30 L59I22-V26 HydrophobicContact CG2-CG2 4.4Å; I22-V26 WeakPolarHBondContact O-CG2 3.41Å; I22-V26 PolarHBondContact O-N 3.34Å; G23-V26 PolarHBondContact O-N 3.19Å; V26-S30 WeakPolarHBondContact O-CB 3.39Å; V26-S30 PolarHBondContact O-N 2.95Å; V26-S30 PolarHBondContact O-OG 2.94Å; V26-L59 HydrophobicContact CG1-CB 4.45Å; V26-L59 HydrophobicContact CG1-CD2 4.31Å; V26-L59 WeakPolarHBondContact CG1-O 3.43Å
27L98.4Very high96.8Very high47 Ų4767.7 Ų67.725%0.24635%0.354CS..Hα-helixtrans-65.2-46.8177.4-178.461.3000111.1G23 F29 S30 V31 M60 L67G23-L27 WeakPolarHBondContact O-CB 3.45Å; G23-L27 PolarHBondContact O-N 2.85Å; L27-F29 PolarHBondContact O-N 3.34Å; L27-S30 WeakPolarHBondContact CA-OG 3.38Å; L27-S30 PolarHBondContact O-N 3.35Å; L27-S30 PolarHBondContact O-OG 3.4Å; L27-V31 HydrophobicContact CD1-CG2 4.01Å; L27-V31 HydrophobicContact CG-CG2 4.43Å; L27-V31 WeakPolarHBondContact O-CB 3.17Å; L27-V31 VanDerWaalsContact O-CG2 3.25Å; L27-V31 WeakPolarHBondContact O-CG2 3.26Å; L27-V31 PolarHBondContact O-N 3.24Å; L27-M60 HydrophobicContact CD1-CB 4.25Å; L27-M60 HydrophobicContact CD1-CG 4.39Å; L27-L67 HydrophobicContact CD2-CD2 4.21Å
28G97.9Very high96.6Very high41 Ų4169.1 Ų69.142%0.42336%0.363SS..Hα-helixtrans-61.1-45.3179.100000112.4L24 Y32L24-G28 WeakPolarHBondContact O-CA 3.35Å; L24-G28 PolarHBondContact O-N 3.4Å; G28-Y32 WeakPolarHBondContact O-CB 3.16Å; G28-Y32 PolarHBondContact O-N 3.5Å
29F97.2Very high96.3Very high129 Ų12965.9 Ų65.957%0.56635%0.348SS*.Hα-helixtrans-65-43.8178.3-177.1-104.9000112.6S25 L27 Y32 I33S25-F29 WeakPolarHBondContact O-CB 3.3Å; S25-F29 PolarHBondContact O-N 2.87Å; L27-F29 PolarHBondContact O-N 3.34Å; F29-Y32 PolarHBondContact O-N 2.92Å; F29-I33 HydrophobicContact CD1-CD1 3.93Å; F29-I33 HydrophobicContact CD2-CD1 4.46Å; F29-I33 HydrophobicContact CE1-CD1 3.33Å; F29-I33 HydrophobicContact CE1-CG1 4.46Å; F29-I33 HydrophobicContact CE2-CD1 3.93Å; F29-I33 HydrophobicContact CE2-CG1 4.48Å; F29-I33 HydrophobicContact CG-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.35Å; F29-I33 HydrophobicContact CZ-CG1 4.35Å; F29-I33 WeakPolarHBondContact O-CG1 3.2Å; F29-I33 PolarHBondContact O-N 3.32Å
30S97.4Very high95.9Very high0 Ų066.5 Ų66.50%035%0.349CS..Hα-helixtrans-68.1-39.6179.553.10000112.6V26 L27 Y34 M60V26-S30 WeakPolarHBondContact O-CB 3.39Å; V26-S30 PolarHBondContact O-N 2.95Å; V26-S30 PolarHBondContact O-OG 2.94Å; L27-S30 WeakPolarHBondContact CA-OG 3.38Å; L27-S30 PolarHBondContact O-N 3.35Å; L27-S30 PolarHBondContact O-OG 3.4Å; S30-Y34 VanDerWaalsContact O-CB 3.29Å; S30-Y34 WeakPolarHBondContact O-CB 3.34Å; S30-Y34 PolarHBondContact O-N 2.86Å; S30-M60 WeakPolarHBondContact OG-CG 3.39Å; S30-M60 PolarHBondContact OG-N 3.21Å
31V97.9Very high95.5Very high52 Ų5270.9 Ų70.932%0.31537%0.373SS..Hα-helixtrans-67-41.2172.9172.20000111.4L27 Y34 L35 M60L27-V31 HydrophobicContact CD1-CG2 4.01Å; L27-V31 HydrophobicContact CG-CG2 4.43Å; L27-V31 WeakPolarHBondContact O-CB 3.17Å; L27-V31 VanDerWaalsContact O-CG2 3.25Å; L27-V31 WeakPolarHBondContact O-CG2 3.26Å; L27-V31 PolarHBondContact O-N 3.24Å; V31-Y34 PolarHBondContact O-N 3.42Å; V31-L35 HydrophobicContact CG1-CD1 3.65Å; V31-L35 HydrophobicContact CG1-CG 4.18Å; V31-L35 WeakPolarHBondContact O-CB 3.43Å; V31-L35 WeakPolarHBondContact O-CG 3.18Å; V31-L35 PolarHBondContact O-N 2.95Å; V31-M60 HydrophobicContact CG2-CG 4.08Å; V31-M60 HydrophobicContact CG2-SD 3.81Å
32Y97.1Very high95Very high145 Ų14572.6 Ų72.657%0.56938%0.381SS*.Hα-helixtrans-57.7-53.2177176.3-96.2000111.3G28 F29 Y34 L35 E36G28-Y32 WeakPolarHBondContact O-CB 3.16Å; G28-Y32 PolarHBondContact O-N 3.5Å; F29-Y32 PolarHBondContact O-N 2.92Å; Y32-Y34 VanDerWaalsContact C-N 3.27Å; Y32-Y34 PolarHBondContact O-N 2.99Å; Y32-L35 PolarHBondContact O-N 2.88Å; Y32-E36 VanDerWaalsContact O-CB 3.3Å; Y32-E36 WeakPolarHBondContact O-CB 3.43Å; Y32-E36 PolarHBondContact O-N 3.42Å
33I95.4Very high94.5Very high36 Ų3668.7 Ų68.719%0.18536%0.361CS..Hα-helixtrans-61.3-37.9177.9-67.3177.6000111.5F29 L35 A39 Q40 I43 L56F29-I33 HydrophobicContact CD1-CD1 3.93Å; F29-I33 HydrophobicContact CD2-CD1 4.46Å; F29-I33 HydrophobicContact CE1-CD1 3.33Å; F29-I33 HydrophobicContact CE1-CG1 4.46Å; F29-I33 HydrophobicContact CE2-CD1 3.93Å; F29-I33 HydrophobicContact CE2-CG1 4.48Å; F29-I33 HydrophobicContact CG-CD1 4.48Å; F29-I33 HydrophobicContact CZ-CD1 3.35Å; F29-I33 HydrophobicContact CZ-CG1 4.35Å; F29-I33 WeakPolarHBondContact O-CG1 3.2Å; F29-I33 PolarHBondContact O-N 3.32Å; I33-L35 VanDerWaalsContact C-N 3.34Å; I33-A39 HydrophobicContact CG2-CB 4.14Å; I33-Q40 PolarHBondContact O-NE2 3.44Å; I33-I43 HydrophobicContact CG2-CD1 4.01Å; I33-L56 HydrophobicContact CB-CD1 4.49Å; I33-L56 HydrophobicContact CB-CD2 3.97Å; I33-L56 HydrophobicContact CD1-CD2 4.45Å; I33-L56 HydrophobicContact CG2-CD1 3.72Å; I33-L56 HydrophobicContact CG2-CD2 3.81Å; I33-L56 HydrophobicContact CG2-CG 4.41Å
34Y94.4Very high93.7Very high89 Ų8973.6 Ų73.635%0.34939%0.386SS..Hα-helixtrans-64.5-38.5179.3-180-100.1000112.7S30 V31 Y32 Q40 Y57 M60S30-Y34 VanDerWaalsContact O-CB 3.29Å; S30-Y34 WeakPolarHBondContact O-CB 3.34Å; S30-Y34 PolarHBondContact O-N 2.86Å; V31-Y34 PolarHBondContact O-N 3.42Å; Y32-Y34 VanDerWaalsContact C-N 3.27Å; Y32-Y34 PolarHBondContact O-N 2.99Å; Y34-Q40 PolarHBondContact O-NE2 3.46Å; Y34-Y57 HydrophobicContact CD2-CE1 4.39Å; Y34-Y57 AromaticContact CE2-CE1 3.8Å; Y34-Y57 HydrophobicContact CE2-CE1 3.8Å; Y34-Y57 AromaticContact CE2-CZ 3.78Å; Y34-Y57 WeakPolarHBondContact CE2-OH 3.5Å; Y34-Y57 PolarHBondContact OH-OH 3.15Å; Y34-M60 HydrophobicContact CD2-CE 4.36Å; Y34-M60 HydrophobicContact CG-CE 4.36Å
35L95.2Very high92.8Very high120 Ų12073.5 Ų73.563%0.62840%0.399SS*.Hα-helixtrans-87-23.5-177.6-65.8177.9000113.8V31 Y32 I33 P37V31-L35 HydrophobicContact CG1-CD1 3.65Å; V31-L35 HydrophobicContact CG1-CG 4.18Å; V31-L35 WeakPolarHBondContact O-CB 3.43Å; V31-L35 WeakPolarHBondContact O-CG 3.18Å; V31-L35 PolarHBondContact O-N 2.95Å; Y32-L35 PolarHBondContact O-N 2.88Å; I33-L35 VanDerWaalsContact C-N 3.34Å; L35-P37 VanDerWaalsContact O-CD 3.25Å; L35-P37 WeakPolarHBondContact O-CD 3.23Å
36E94.2Very high91.7Very high55 Ų5572.4 Ų72.426%0.25739%0.391SS..  trans-72.2113-177.3-169.761.7-12200111.1Y32 E38 A39 Q40Y32-E36 VanDerWaalsContact O-CB 3.3Å; Y32-E36 WeakPolarHBondContact O-CB 3.43Å; Y32-E36 PolarHBondContact O-N 3.42Å; E36-E38 VanDerWaalsContact C-N 3.34Å; E36-E38 HydrophobicContact CG-CB 4.5Å; E36-E38 PolarHBondContact O-N 3.49Å; E36-A39 HydrophobicContact CB-CB 3.9Å; E36-A39 HydrophobicContact CG-CB 4.16Å; E36-A39 WeakPolarHBondContact O-CB 3.39Å; E36-A39 PolarHBondContact O-N 2.86Å; E36-A39 VanDerWaalsContact O-N 3.15Å; E36-Q40 PolarHBondContact O-N 3.48Å; E36-Q40 VanDerWaalsContact O-N 3.09Å
37P91.7Very high90.4Very high82 Ų8272.2 Ų72.253%0.53240%0.398SS..Hα-helixtrans-61.9-40.3-175.9-22.734.5000112.8L35 A39 Q40 D41L35-P37 VanDerWaalsContact O-CD 3.25Å; L35-P37 WeakPolarHBondContact O-CD 3.23Å; P37-A39 VanDerWaalsContact C-N 3.26Å; P37-A39 PolarHBondContact O-N 2.97Å; P37-Q40 WeakPolarHBondContact O-CB 3.39Å; P37-Q40 PolarHBondContact O-N 3.27Å; P37-Q40 VanDerWaalsContact O-N 3.07Å; P37-D41 PolarHBondContact O-N 2.84Å
38E91.8Very high89.2Confident139 Ų13973.2 Ų73.265%0.6540%0.401SS*.Hα-helixtrans-61.1-38.2177.9-60.7-179.3175.800111.4E36 D41 I42E36-E38 VanDerWaalsContact C-N 3.34Å; E36-E38 HydrophobicContact CG-CB 4.5Å; E36-E38 PolarHBondContact O-N 3.49Å; E38-D41 PolarHBondContact O-N 3.39Å; E38-I42 WeakPolarHBondContact O-CD1 3.36Å; E38-I42 VanDerWaalsContact O-CG1 3.24Å; E38-I42 WeakPolarHBondContact O-CG1 3.49Å; E38-I42 PolarHBondContact O-N 2.95Å
39A90.6Very high88.3Confident21 Ų2174 Ų7417%0.17439%0.394CS..Hα-helixtrans-66.9-40.8175.400000111I33 E36 P37 I42 I43I33-A39 HydrophobicContact CG2-CB 4.14Å; E36-A39 HydrophobicContact CB-CB 3.9Å; E36-A39 HydrophobicContact CG-CB 4.16Å; E36-A39 WeakPolarHBondContact O-CB 3.39Å; E36-A39 PolarHBondContact O-N 2.86Å; E36-A39 VanDerWaalsContact O-N 3.15Å; P37-A39 VanDerWaalsContact C-N 3.26Å; P37-A39 PolarHBondContact O-N 2.97Å; A39-I42 PolarHBondContact O-N 3.47Å; A39-I43 WeakPolarHBondContact O-CB 3.21Å; A39-I43 WeakPolarHBondContact O-CD1 3.4Å; A39-I43 WeakPolarHBondContact O-CG1 3.47Å; A39-I43 PolarHBondContact O-N 3.4Å
40Q89.8Confident87.3Confident40 Ų4071.9 Ų71.919%0.18739%0.386CS..Hα-helixtrans-64.3-38.9175.5-63.7-54.9-54.100112.2I33 Y34 E36 P37 I43 L44I33-Q40 PolarHBondContact O-NE2 3.44Å; Y34-Q40 PolarHBondContact O-NE2 3.46Å; E36-Q40 PolarHBondContact O-N 3.48Å; E36-Q40 VanDerWaalsContact O-N 3.09Å; P37-Q40 WeakPolarHBondContact O-CB 3.39Å; P37-Q40 PolarHBondContact O-N 3.27Å; P37-Q40 VanDerWaalsContact O-N 3.07Å; Q40-I43 WeakPolarHBondContact O-CB 3.47Å; Q40-I43 PolarHBondContact O-N 2.96Å; Q40-L44 WeakPolarHBondContact O-CB 3.41Å; Q40-L44 PolarHBondContact O-N 2.8Å
41D89.2Confident86.5Confident107 Ų10773 Ų7357%0.57240%0.395SS*.Hα-helixtrans-64.6-41.5175.5-73.1-24000111.7P37 E38 I43 L44 A45P37-D41 PolarHBondContact O-N 2.84Å; E38-D41 PolarHBondContact O-N 3.39Å; D41-I43 VanDerWaalsContact C-N 3.33Å; D41-L44 PolarHBondContact O-N 3.47Å; D41-A45 VanDerWaalsContact O-CB 3.26Å; D41-A45 WeakPolarHBondContact O-CB 3.32Å; D41-A45 PolarHBondContact O-N 3.4Å
42I87.4Confident85.9Confident120 Ų12071.8 Ų71.862%0.61539%0.388SS*.Hα-helixtrans-63.6-41.5173.5-67.5164.4000110.7E38 A39 A45 S46E38-I42 WeakPolarHBondContact O-CD1 3.36Å; E38-I42 VanDerWaalsContact O-CG1 3.24Å; E38-I42 WeakPolarHBondContact O-CG1 3.49Å; E38-I42 PolarHBondContact O-N 2.95Å; A39-I42 PolarHBondContact O-N 3.47Å; I42-A45 PolarHBondContact O-N 2.93Å; I42-S46 WeakPolarHBondContact O-CB 3.47Å; I42-S46 PolarHBondContact O-N 3.42Å
43I85.1Confident85.5Confident15 Ų1566.7 Ų66.78%0.07737%0.369CS..Hα-helixtrans-64.4-42.2178.4-72.5165.9000110.8I33 A39 Q40 D41 S46 Q49 V52 L56I33-I43 HydrophobicContact CG2-CD1 4.01Å; A39-I43 WeakPolarHBondContact O-CB 3.21Å; A39-I43 WeakPolarHBondContact O-CD1 3.4Å; A39-I43 WeakPolarHBondContact O-CG1 3.47Å; A39-I43 PolarHBondContact O-N 3.4Å; Q40-I43 WeakPolarHBondContact O-CB 3.47Å; Q40-I43 PolarHBondContact O-N 2.96Å; D41-I43 VanDerWaalsContact C-N 3.33Å; I43-S46 PolarHBondContact O-N 3.42Å; I43-S46 PolarHBondContact O-OG 2.83Å; I43-Q49 HydrophobicContact CG2-CB 4.05Å; I43-Q49 HydrophobicContact CG2-CG 4.09Å; I43-V52 HydrophobicContact CD1-CG1 3.65Å; I43-V52 HydrophobicContact CG1-CB 4.47Å; I43-V52 HydrophobicContact CG1-CG1 3.81Å; I43-V52 HydrophobicContact CG2-CB 3.94Å; I43-V52 HydrophobicContact CG2-CG1 4.1Å; I43-L56 HydrophobicContact CD1-CD1 4.19Å
44L83.3Confident85.2Confident104 Ų10470.7 Ų70.755%0.54539%0.389SS..Hα-helixtrans-63.9-48.7173.7175.361.5000111Q40 D41 S46 G47Q40-L44 WeakPolarHBondContact O-CB 3.41Å; Q40-L44 PolarHBondContact O-N 2.8Å; D41-L44 PolarHBondContact O-N 3.47Å; L44-S46 PolarHBondContact O-N 3.45Å; L44-G47 PolarHBondContact O-N 2.87Å
45A78.5Confident85Confident88 Ų8871.2 Ų71.273%0.72740%0.396SS*.Hα-helixtrans-62-31.1178.400000112.9D41 I42 G47D41-A45 VanDerWaalsContact O-CB 3.26Å; D41-A45 WeakPolarHBondContact O-CB 3.32Å; D41-A45 PolarHBondContact O-N 3.4Å; I42-A45 PolarHBondContact O-N 2.93Å; A45-G47 PolarHBondContact O-N 3.27Å
46S75.9Confident85Confident47 Ų4765.6 Ų65.633%0.32937%0.367SS..THydrogen-bonded Turntrans-65.2-19.7175.779.20000112.7I42 I43 L44 Q48 R147I42-S46 WeakPolarHBondContact O-CB 3.47Å; I42-S46 PolarHBondContact O-N 3.42Å; I43-S46 PolarHBondContact O-N 3.42Å; I43-S46 PolarHBondContact O-OG 2.83Å; L44-S46 PolarHBondContact O-N 3.45Å; S46-Q48 PolarHBondContact O-N 2.97Å; S46-Q48 PolarHBondContact OG-N 3.34Å; S46-Q48 VanDerWaalsContact OG-N 3.12Å; S46-R147 PolarHBondContact O-NH1 2.85Å
47G70.2Confident85.1Confident40 Ų4068.4 Ų68.441%0.41238%0.376SS..THydrogen-bonded Turntrans67.111.9-17200000114L44 A45L44-G47 PolarHBondContact O-N 2.87Å; A45-G47 PolarHBondContact O-N 3.27Å
48Q73.8Confident85.3Confident67 Ų6767 Ų6731%0.31337%0.371SS..  trans-108.621176.7-62.4-170.6-34.100112.4S46 H50 A51 V52S46-Q48 PolarHBondContact O-N 2.97Å; S46-Q48 PolarHBondContact OG-N 3.34Å; S46-Q48 VanDerWaalsContact OG-N 3.12Å; Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 3.08Å; Q48-H50 VanDerWaalsContact O-N 3.14Å; Q48-A51 PolarHBondContact O-N 2.83Å; Q48-V52 HydrophobicContact CB-CG2 4.05Å; Q48-V52 WeakPolarHBondContact O-CG2 3.1Å; Q48-V52 PolarHBondContact O-N 3.39Å
49Q78.6Confident85.6Confident59 Ų5963 Ų6328%0.27635%0.354SS..Hα-helixtrans-49.1-49.3-170.8179.8-178.7-32.600113.2I43 V52 Q53I43-Q49 HydrophobicContact CG2-CB 4.05Å; I43-Q49 HydrophobicContact CG2-CG 4.09Å; Q49-V52 PolarHBondContact O-N 2.9Å; Q49-Q53 HydrophobicContact CG-CG 4.2Å; Q49-Q53 VanDerWaalsContact O-CB 3.27Å; Q49-Q53 WeakPolarHBondContact O-CB 3.14Å; Q49-Q53 WeakPolarHBondContact O-CG 3.32Å; Q49-Q53 PolarHBondContact O-N 3Å
50H75.9Confident85.9Confident83 Ų8363.7 Ų63.738%0.38435%0.354SS..Hα-helixtrans-64.9-46.6-176.6-60.4-77.5000113Q48 Q53 I54 P140Q48-H50 VanDerWaalsContact C-N 3.29Å; Q48-H50 PolarHBondContact O-N 3.08Å; Q48-H50 VanDerWaalsContact O-N 3.14Å; H50-Q53 PolarHBondContact O-N 3.26Å; H50-I54 VanDerWaalsContact O-CG1 3.24Å; H50-I54 WeakPolarHBondContact O-CG1 3.2Å; H50-I54 PolarHBondContact O-N 3.48Å; H50-P140 HydrophobicContact CB-CB 3.62Å; H50-P140 HydrophobicContact CB-CG 4.43Å; H50-P140 WeakPolarHBondContact CD2-CB 3.27Å
51A80.2Confident86.3Confident25 Ų2563.3 Ų63.321%0.20736%0.361CS..Hα-helixtrans-63.9-42.9177.800000112.1Q48 I54 M55 S144Q48-A51 PolarHBondContact O-N 2.83Å; A51-I54 PolarHBondContact O-N 3.07Å; A51-M55 WeakPolarHBondContact O-CB 3.28Å; A51-M55 PolarHBondContact O-N 3.23Å; A51-S144 VanDerWaalsContact CB-OG 3.3Å; A51-S144 WeakPolarHBondContact CB-OG 3.41Å
52V86Confident86.7Confident26 Ų2663 Ų6316%0.15836%0.359CS..Hα-helixtrans-66.4-40.7178.7179.10000110.8I43 Q48 Q49 M55 L56I43-V52 HydrophobicContact CD1-CG1 3.65Å; I43-V52 HydrophobicContact CG1-CB 4.47Å; I43-V52 HydrophobicContact CG1-CG1 3.81Å; I43-V52 HydrophobicContact CG2-CB 3.94Å; I43-V52 HydrophobicContact CG2-CG1 4.1Å; Q48-V52 HydrophobicContact CB-CG2 4.05Å; Q48-V52 WeakPolarHBondContact O-CG2 3.1Å; Q48-V52 PolarHBondContact O-N 3.39Å; Q49-V52 PolarHBondContact O-N 2.9Å; V52-M55 HydrophobicContact CG1-CE 4.16Å; V52-M55 WeakPolarHBondContact O-CB 3.32Å; V52-M55 PolarHBondContact O-N 3.28Å; V52-L56 HydrophobicContact CG1-CD1 4.19Å; V52-L56 HydrophobicContact CG1-CG 4.37Å; V52-L56 WeakPolarHBondContact O-CG 3.48Å; V52-L56 PolarHBondContact O-N 2.84Å
53Q88.7Confident87.3Confident38 Ų3857.4 Ų57.418%0.17833%0.33CS..Hα-helixtrans-62.8-46.1175.6-77.1179.4-16.200111.9Q49 H50 M55 L56 Y57Q49-Q53 HydrophobicContact CG-CG 4.2Å; Q49-Q53 VanDerWaalsContact O-CB 3.27Å; Q49-Q53 WeakPolarHBondContact O-CB 3.14Å; Q49-Q53 WeakPolarHBondContact O-CG 3.32Å; Q49-Q53 PolarHBondContact O-N 3Å; H50-Q53 PolarHBondContact O-N 3.26Å; Q53-M55 VanDerWaalsContact C-N 3.28Å; Q53-M55 PolarHBondContact O-N 3.44Å; Q53-L56 PolarHBondContact O-N 3.21Å; Q53-L56 VanDerWaalsContact O-N 3.17Å; Q53-Y57 HydrophobicContact CB-CD2 4.49Å; Q53-Y57 HydrophobicContact CB-CE2 4.13Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.45Å; Q53-Y57 PolarHBondContact O-N 3.2Å
54I88.4Confident87.9Confident119 Ų11957.6 Ų57.661%0.6134%0.336SS*.Hα-helixtrans-58-43.6174.9-68.3165.2000110.5H50 A51 Y57 A58H50-I54 VanDerWaalsContact O-CG1 3.24Å; H50-I54 WeakPolarHBondContact O-CG1 3.2Å; H50-I54 PolarHBondContact O-N 3.48Å; A51-I54 PolarHBondContact O-N 3.07Å; I54-Y57 PolarHBondContact O-N 3.07Å; I54-A58 WeakPolarHBondContact O-CB 3.46Å; I54-A58 PolarHBondContact O-N 3.37Å
55M91.4Very high88.6Confident100 Ų10057.9 Ų57.949%0.49334%0.337SS..Hα-helixtrans-61.2-44.4175.9-178-175.268.100112A51 V52 Q53 A58 L59A51-M55 WeakPolarHBondContact O-CB 3.28Å; A51-M55 PolarHBondContact O-N 3.23Å; V52-M55 HydrophobicContact CG1-CE 4.16Å; V52-M55 WeakPolarHBondContact O-CB 3.32Å; V52-M55 PolarHBondContact O-N 3.28Å; Q53-M55 VanDerWaalsContact C-N 3.28Å; Q53-M55 PolarHBondContact O-N 3.44Å; M55-A58 PolarHBondContact O-N 3.32Å; M55-L59 HydrophobicContact CG-CD1 4.15Å; M55-L59 WeakPolarHBondContact O-CG 3.49Å; M55-L59 PolarHBondContact O-N 3.47Å
56L94.8Very high89.5Confident3 Ų355.8 Ų55.82%0.01632%0.315CS..Hα-helixtrans-63.4-43.7177.3-71172.2000111.7I33 I43 V52 Q53 A58 L59 M60I33-L56 HydrophobicContact CB-CD1 4.49Å; I33-L56 HydrophobicContact CB-CD2 3.97Å; I33-L56 HydrophobicContact CD1-CD2 4.45Å; I33-L56 HydrophobicContact CG2-CD1 3.72Å; I33-L56 HydrophobicContact CG2-CD2 3.81Å; I33-L56 HydrophobicContact CG2-CG 4.41Å; I43-L56 HydrophobicContact CD1-CD1 4.19Å; V52-L56 HydrophobicContact CG1-CD1 4.19Å; V52-L56 HydrophobicContact CG1-CG 4.37Å; V52-L56 WeakPolarHBondContact O-CG 3.48Å; V52-L56 PolarHBondContact O-N 2.84Å; Q53-L56 PolarHBondContact O-N 3.21Å; Q53-L56 VanDerWaalsContact O-N 3.17Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 2.83Å; L56-L59 PolarHBondContact O-N 3.45Å; L56-M60 WeakPolarHBondContact O-CG 3.41Å; L56-M60 PolarHBondContact O-N 2.87Å
57Y95.7Very high90.5Very high114 Ų11454.8 Ų54.845%0.44731%0.306SS..Hα-helixtrans-61.1-42174.4-67.3-55.8000112.1Y34 Q53 I54 M60 G61Y34-Y57 HydrophobicContact CD2-CE1 4.39Å; Y34-Y57 AromaticContact CE2-CE1 3.8Å; Y34-Y57 HydrophobicContact CE2-CE1 3.8Å; Y34-Y57 AromaticContact CE2-CZ 3.78Å; Y34-Y57 WeakPolarHBondContact CE2-OH 3.5Å; Y34-Y57 PolarHBondContact OH-OH 3.15Å; Q53-Y57 HydrophobicContact CB-CD2 4.49Å; Q53-Y57 HydrophobicContact CB-CE2 4.13Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.45Å; Q53-Y57 PolarHBondContact O-N 3.2Å; I54-Y57 PolarHBondContact O-N 3.07Å; Y57-M60 HydrophobicContact CD1-CE 3.31Å; Y57-M60 HydrophobicContact CE1-CE 3.8Å; Y57-M60 HydrophobicContact CG-CE 4.17Å; Y57-M60 PolarHBondContact O-N 3.39Å; Y57-G61 PolarHBondContact O-N 2.69Å
58A96.4Very high91.8Very high51 Ų5156.4 Ų56.442%0.42131%0.307SS..Hα-helixtrans-62.6-44.1175.200000111.9I54 M55 L56 G61 I62I54-A58 WeakPolarHBondContact O-CB 3.46Å; I54-A58 PolarHBondContact O-N 3.37Å; M55-A58 PolarHBondContact O-N 3.32Å; L56-A58 VanDerWaalsContact C-N 3.34Å; L56-A58 PolarHBondContact O-N 2.83Å; A58-G61 PolarHBondContact O-N 3.36Å; A58-I62 VanDerWaalsContact O-CG1 3.25Å; A58-I62 WeakPolarHBondContact O-CG1 3.21Å; A58-I62 PolarHBondContact O-N 3.41Å
59L97.4Very high92.9Very high56 Ų5654.3 Ų54.329%0.29330%0.298SS..Hα-helixtrans-64.5-41.3177.1-72.7171.3000112.5V26 M55 L56 G61 I62 G63V26-L59 HydrophobicContact CG1-CB 4.45Å; V26-L59 HydrophobicContact CG1-CD2 4.31Å; V26-L59 WeakPolarHBondContact CG1-O 3.43Å; M55-L59 HydrophobicContact CG-CD1 4.15Å; M55-L59 WeakPolarHBondContact O-CG 3.49Å; M55-L59 PolarHBondContact O-N 3.47Å; L56-L59 PolarHBondContact O-N 3.45Å; L59-G61 VanDerWaalsContact C-N 3.33Å; L59-G61 PolarHBondContact O-N 2.86Å; L59-I62 PolarHBondContact O-N 3Å; L59-G63 PolarHBondContact O-N 3.28Å
60M98.2Very high93.8Very high35 Ų3551.5 Ų51.517%0.17229%0.285CS..Hα-helixtrans-59.6-44.8173-74.9-173.5-73.500111L27 S30 V31 Y34 L56 Y57 G64L27-M60 HydrophobicContact CD1-CB 4.25Å; L27-M60 HydrophobicContact CD1-CG 4.39Å; S30-M60 WeakPolarHBondContact OG-CG 3.39Å; S30-M60 PolarHBondContact OG-N 3.21Å; V31-M60 HydrophobicContact CG2-CG 4.08Å; V31-M60 HydrophobicContact CG2-SD 3.81Å; Y34-M60 HydrophobicContact CD2-CE 4.36Å; Y34-M60 HydrophobicContact CG-CE 4.36Å; L56-M60 WeakPolarHBondContact O-CG 3.41Å; L56-M60 PolarHBondContact O-N 2.87Å; Y57-M60 HydrophobicContact CD1-CE 3.31Å; Y57-M60 HydrophobicContact CE1-CE 3.8Å; Y57-M60 HydrophobicContact CG-CE 4.17Å; Y57-M60 PolarHBondContact O-N 3.39Å; M60-G64 PolarHBondContact O-N 3.07Å
61G98Very high94.8Very high33 Ų3351.2 Ų51.234%0.3429%0.286SS..Hα-helixtrans-60.5-50175.600000112.7Y57 A58 L59 G64 I65Y57-G61 PolarHBondContact O-N 2.69Å; A58-G61 PolarHBondContact O-N 3.36Å; L59-G61 VanDerWaalsContact C-N 3.33Å; L59-G61 PolarHBondContact O-N 2.86Å; G61-G64 PolarHBondContact O-N 2.67Å; G61-I65 WeakPolarHBondContact O-CB 3.34Å; G61-I65 VanDerWaalsContact O-CG1 3.26Å; G61-I65 WeakPolarHBondContact O-CG1 3.42Å; G61-I65 PolarHBondContact O-N 3Å
62I97.3Very high95.5Very high101 Ų10153.3 Ų53.352%0.51829%0.291SS..Hα-helixtrans-60.6-48.5178.8-68.6164.2000110.7A58 L59 T66A58-I62 VanDerWaalsContact O-CG1 3.25Å; A58-I62 WeakPolarHBondContact O-CG1 3.21Å; A58-I62 PolarHBondContact O-N 3.41Å; L59-I62 PolarHBondContact O-N 3Å; I62-T66 VanDerWaalsContact O-CB 3.24Å; I62-T66 WeakPolarHBondContact O-CB 3.33Å; I62-T66 PolarHBondContact O-N 3.27Å; I62-T66 PolarHBondContact O-OG1 3.24Å
63G98.4Very high95.9Very high1 Ų152 Ų521%0.0128%0.283CS..Hα-helixtrans-62-46.1179.400000112.4L59 T66 L67L59-G63 PolarHBondContact O-N 3.28Å; G63-T66 PolarHBondContact O-N 3.35Å; G63-L67 WeakPolarHBondContact O-CB 3.37Å; G63-L67 PolarHBondContact O-N 3.43Å
64G98.3Very high96.2Very high20 Ų2051.2 Ų51.221%0.20628%0.281CS..Hα-helixtrans-63.5-47.7178.400000113.4M60 G61 L67 V68M60-G64 PolarHBondContact O-N 3.07Å; G61-G64 PolarHBondContact O-N 2.67Å; G64-L67 PolarHBondContact O-N 2.84Å; G64-V68 WeakPolarHBondContact O-CG2 3.37Å; G64-V68 PolarHBondContact O-N 2.86Å
65I97.6Very high96.5Very high109 Ų10947.8 Ų47.856%0.55927%0.267SS*.Hα-helixtrans-62-46.8177.6-68.8168.3000110.3G61 L67 V68 I69G61-I65 WeakPolarHBondContact O-CB 3.34Å; G61-I65 VanDerWaalsContact O-CG1 3.26Å; G61-I65 WeakPolarHBondContact O-CG1 3.42Å; G61-I65 PolarHBondContact O-N 3Å; I65-L67 VanDerWaalsContact C-N 3.29Å; I65-L67 PolarHBondContact O-N 3.13Å; I65-V68 PolarHBondContact O-N 3.42Å; I65-I69 HydrophobicContact CG2-CD1 3.66Å; I65-I69 HydrophobicContact CG2-CG1 4.37Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.25Å; I65-I69 PolarHBondContact O-N 3.46Å
66T97.4Very high96.6Very high44 Ų4443 Ų4327%0.2724%0.244SC..Hα-helixtrans-58.1-43.5178.6-58.80000111.3V19 I62 G63 A70V19-T66 HydrophobicContact CG1-CG2 3.45Å; V19-T66 VanDerWaalsContact CG1-CG2 3.45Å; I62-T66 VanDerWaalsContact O-CB 3.24Å; I62-T66 WeakPolarHBondContact O-CB 3.33Å; I62-T66 PolarHBondContact O-N 3.27Å; I62-T66 PolarHBondContact O-OG1 3.24Å; G63-T66 PolarHBondContact O-N 3.35Å; T66-A70 VanDerWaalsContact O-CB 3.25Å; T66-A70 WeakPolarHBondContact O-CB 3.44Å; T66-A70 PolarHBondContact O-N 2.88Å
67L97.9Very high96.5Very high27 Ų2742.9 Ų42.914%0.14124%0.243CC..Hα-helixtrans-61.3-48.9177.8179.560000112.1V20 L24 L27 G63 G64 I65 I69 A70 L71V20-L67 HydrophobicContact CB-CD1 4.31Å; V20-L67 HydrophobicContact CG1-CD1 3.77Å; V20-L67 HydrophobicContact CG2-CD1 4.37Å; L24-L67 HydrophobicContact CD2-CD1 4.12Å; L24-L67 HydrophobicContact CD2-CD2 3.8Å; L24-L67 HydrophobicContact CG-CD1 3.9Å; L24-L67 HydrophobicContact CG-CD2 4.4Å; L27-L67 HydrophobicContact CD2-CD2 4.21Å; G63-L67 WeakPolarHBondContact O-CB 3.37Å; G63-L67 PolarHBondContact O-N 3.43Å; G64-L67 PolarHBondContact O-N 2.84Å; I65-L67 VanDerWaalsContact C-N 3.29Å; I65-L67 PolarHBondContact O-N 3.13Å; L67-I69 PolarHBondContact O-N 2.91Å; L67-A70 PolarHBondContact O-N 3.49Å; L67-L71 HydrophobicContact CD1-CD1 4.21Å; L67-L71 HydrophobicContact CD1-CG 4.22Å; L67-L71 HydrophobicContact CG-CD1 4.15Å; L67-L71 WeakPolarHBondContact O-CB 3.4Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.06Å; L67-L71 PolarHBondContact O-N 2.8Å
68V97.3Very high96.4Very high73 Ų7345.1 Ų45.144%0.44225%0.252SS..Hα-helixtrans-60.6-46.7-179.7171.70000111.3G64 I65 A70 L71 F72G64-V68 WeakPolarHBondContact O-CG2 3.37Å; G64-V68 PolarHBondContact O-N 2.86Å; I65-V68 PolarHBondContact O-N 3.42Å; V68-A70 PolarHBondContact O-N 3.49Å; V68-L71 PolarHBondContact O-N 3.49Å; V68-F72 HydrophobicContact CG1-CD2 4.28Å; V68-F72 HydrophobicContact CG1-CE2 3.72Å; V68-F72 HydrophobicContact CG1-CZ 3.95Å; V68-F72 PolarHBondContact O-N 3.47Å; V68-F72 VanDerWaalsContact O-N 3.14Å
69I97.2Very high96.2Very high23 Ų2349 Ų4912%0.11826%0.261CS..Hα-helixtrans-62.2-45.4179.7-64.5174.2000110.6I65 L67 L71 F72 G73 Y88 I91 I95I65-I69 HydrophobicContact CG2-CD1 3.66Å; I65-I69 HydrophobicContact CG2-CG1 4.37Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.25Å; I65-I69 PolarHBondContact O-N 3.46Å; L67-I69 PolarHBondContact O-N 2.91Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.31Å; I69-F72 PolarHBondContact O-N 2.92Å; I69-G73 PolarHBondContact O-N 3.35Å; I69-Y88 HydrophobicContact CG2-CD2 3.89Å; I69-Y88 HydrophobicContact CG2-CE2 3.79Å; I69-Y88 WeakPolarHBondContact O-CD2 3.19Å; I69-I91 HydrophobicContact CD1-CG2 3.65Å; I69-I91 HydrophobicContact CG1-CG2 3.83Å; I69-I95 HydrophobicContact CD1-CD1 3.61Å
70A97Very high95.8Very high1 Ų149.8 Ų49.81%0.00826%0.263CS..Hα-helixtrans-67.7-33.2-179.200000112.7V19 V20 T66 L67 V68 G73 C74V19-A70 HydrophobicContact CB-CB 3.94Å; V19-A70 HydrophobicContact CG1-CB 3.68Å; V20-A70 HydrophobicContact CG2-CB 3.59Å; T66-A70 VanDerWaalsContact O-CB 3.25Å; T66-A70 WeakPolarHBondContact O-CB 3.44Å; T66-A70 PolarHBondContact O-N 2.88Å; L67-A70 PolarHBondContact O-N 3.49Å; V68-A70 PolarHBondContact O-N 3.49Å; A70-G73 PolarHBondContact O-N 2.94Å; A70-C74 VanDerWaalsContact O-CB 3.23Å; A70-C74 WeakPolarHBondContact O-CB 3.29Å; A70-C74 PolarHBondContact O-N 3Å
71L96Very high95.5Very high76 Ų7650.2 Ų50.240%0.39827%0.269SS..Hα-helixtrans-64.4-41.7172.3-74.3173.2000111.7V20 L67 V68 I69 C74 C75V20-L71 HydrophobicContact CG1-CD2 4.49Å; V20-L71 HydrophobicContact CG2-CD2 4.02Å; V20-L71 HydrophobicContact CG2-CG 4.23Å; L67-L71 HydrophobicContact CD1-CD1 4.21Å; L67-L71 HydrophobicContact CD1-CG 4.22Å; L67-L71 HydrophobicContact CG-CD1 4.15Å; L67-L71 WeakPolarHBondContact O-CB 3.4Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.06Å; L67-L71 PolarHBondContact O-N 2.8Å; V68-L71 PolarHBondContact O-N 3.49Å; I69-L71 VanDerWaalsContact C-N 3.34Å; I69-L71 PolarHBondContact O-N 3.31Å; L71-C74 PolarHBondContact O-N 3.47Å; L71-C75 WeakPolarHBondContact O-CB 3.43Å; L71-C75 PolarHBondContact O-N 3.14Å; L71-C75 PolarHBondContact O-SG 3.35Å; L71-C75 VanDerWaalsContact O-SG 3.4Å
72F96Very high95.2Very high69 Ų6952.1 Ų52.130%0.30327%0.269SS..Hα-helixtrans-63.8-41.7174.4-65.1-23.5000112.3V68 I69 G76 L84 I91V68-F72 HydrophobicContact CG1-CD2 4.28Å; V68-F72 HydrophobicContact CG1-CE2 3.72Å; V68-F72 HydrophobicContact CG1-CZ 3.95Å; V68-F72 PolarHBondContact O-N 3.47Å; V68-F72 VanDerWaalsContact O-N 3.14Å; I69-F72 PolarHBondContact O-N 2.92Å; F72-G76 WeakPolarHBondContact O-CA 3.46Å; F72-G76 PolarHBondContact O-N 3.48Å; F72-L84 HydrophobicContact CB-CD1 4.13Å; F72-L84 HydrophobicContact CB-CG 4.32Å; F72-L84 HydrophobicContact CD1-CD1 3.34Å; F72-L84 HydrophobicContact CD1-CG 4.27Å; F72-L84 HydrophobicContact CE1-CD1 3.91Å; F72-L84 HydrophobicContact CG-CD1 3.92Å; F72-I91 HydrophobicContact CD2-CD1 3.84Å; F72-I91 HydrophobicContact CE2-CD1 4.07Å
73G95.2Very high95.1Very high0 Ų052 Ų520%028%0.276CS..Hα-helixtrans-62.4-49.5174.400000112.6I69 A70 A77I69-G73 PolarHBondContact O-N 3.35Å; A70-G73 PolarHBondContact O-N 2.94Å; G73-A77 VanDerWaalsContact O-CB 3.3Å; G73-A77 WeakPolarHBondContact O-CB 3.28Å; G73-A77 PolarHBondContact O-N 3.44Å; G73-A77 VanDerWaalsContact O-N 3.08Å
74C94.7Very high94.9Very high20 Ų2053.9 Ų53.914%0.13529%0.286CS..Hα-helixtrans-65-56.3-179-173.60000112N16 A70 L71 G76 A77 Y78N16-C74 HydrophobicContact CB-CB 3.95Å; A70-C74 VanDerWaalsContact O-CB 3.23Å; A70-C74 WeakPolarHBondContact O-CB 3.29Å; A70-C74 PolarHBondContact O-N 3Å; L71-C74 PolarHBondContact O-N 3.47Å; C74-G76 VanDerWaalsContact C-N 3.33Å; C74-G76 PolarHBondContact O-N 3.46Å; C74-A77 PolarHBondContact O-N 3.05Å; C74-Y78 VanDerWaalsContact O-CB 3.29Å; C74-Y78 WeakPolarHBondContact O-CB 3.22Å; C74-Y78 PolarHBondContact O-N 3.25Å
75C94.7Very high94.7Very high47 Ų4753 Ų5332%0.31828%0.277SS..Hα-helixtrans-65.5-35.5-179.8-670000111.8L71 Y78 H79 L84L71-C75 WeakPolarHBondContact O-CB 3.43Å; L71-C75 PolarHBondContact O-N 3.14Å; L71-C75 PolarHBondContact O-SG 3.35Å; L71-C75 VanDerWaalsContact O-SG 3.4Å; C75-Y78 PolarHBondContact O-N 3.47Å; C75-H79 VanDerWaalsContact O-CB 3.3Å; C75-H79 WeakPolarHBondContact O-CB 3.44Å; C75-H79 PolarHBondContact O-N 3.28Å; C75-L84 HydrophobicContact CB-CD2 3.46Å; C75-L84 VanDerWaalsContact CB-CD2 3.46Å
76G93.4Very high94.6Very high0 Ų048.9 Ų48.90%026%0.262CS..Hα-helixtrans-65.5-41.117800000112F72 C74 E80 S81F72-G76 WeakPolarHBondContact O-CA 3.46Å; F72-G76 PolarHBondContact O-N 3.48Å; C74-G76 VanDerWaalsContact C-N 3.33Å; C74-G76 PolarHBondContact O-N 3.46Å; G76-E80 WeakPolarHBondContact O-CA 3.33Å; G76-E80 PolarHBondContact O-N 2.94Å; G76-S81 PolarHBondContact O-N 3.47Å; G76-S81 VanDerWaalsContact O-N 3.15Å
77A93.2Very high94.5Very high0 Ų049.3 Ų49.30%026%0.264CS..Hα-helixtrans-73.5-36.8175.500000113L12 V13 G73 C74 M227L12-A77 HydrophobicContact CD2-CB 3.93Å; L12-A77 HydrophobicContact CG-CB 4.3Å; V13-A77 HydrophobicContact CG2-CB 3.58Å; G73-A77 VanDerWaalsContact O-CB 3.3Å; G73-A77 WeakPolarHBondContact O-CB 3.28Å; G73-A77 PolarHBondContact O-N 3.44Å; G73-A77 VanDerWaalsContact O-N 3.08Å; C74-A77 PolarHBondContact O-N 3.05Å; A77-M227 HydrophobicContact CB-CE 4.44Å
78Y92.6Very high94.4Very high161 Ų16148.2 Ų48.263%0.63126%0.258SS*.Hα-helixtrans-73.5-47.1-180-179.9-99.3000112.9C74 C75 E80C74-Y78 VanDerWaalsContact O-CB 3.29Å; C74-Y78 WeakPolarHBondContact O-CB 3.22Å; C74-Y78 PolarHBondContact O-N 3.25Å; C75-Y78 PolarHBondContact O-N 3.47Å; Y78-E80 VanDerWaalsContact C-N 3.29Å; Y78-E80 PolarHBondContact O-N 3.07Å
79H92.3Very high94.4Very high132 Ų13247.8 Ų47.861%0.61125%0.25SS*.THydrogen-bonded Turntrans-84.50.1178.9-75.3-74.5000113.8C75 S81C75-H79 VanDerWaalsContact O-CB 3.3Å; C75-H79 WeakPolarHBondContact O-CB 3.44Å; C75-H79 PolarHBondContact O-N 3.28Å; H79-S81 PolarHBondContact O-N 3.48Å; H79-S81 VanDerWaalsContact O-N 3.11Å
80E89.9Confident94.4Very high73 Ų7350.8 Ų50.834%0.34127%0.27SS..THydrogen-bonded Turntrans53.631.1-175.5-52.3-172.3-149.500112.8R9 G76 Y78 Q82 I231R9-E80 IonicContact CZ-OE1 3.07Å; R9-E80 VanDerWaalsContact CZ-OE1 3.23Å; R9-E80 IonicContact CZ-OE2 3.78Å; R9-E80 IonicContact NH1-OE1 2.68Å; R9-E80 PolarHBondContact NH1-OE1 2.96Å; R9-E80 IonicContact NH1-OE2 3.96Å; R9-E80 IonicContact NH2-OE1 2.88Å; R9-E80 PolarHBondContact NH2-OE1 2.7Å; R9-E80 IonicContact NH2-OE2 3.39Å; R9-E80 PolarHBondContact NH2-OE2 2.82Å; G76-E80 WeakPolarHBondContact O-CA 3.33Å; G76-E80 PolarHBondContact O-N 2.94Å; Y78-E80 VanDerWaalsContact C-N 3.29Å; Y78-E80 PolarHBondContact O-N 3.07Å; E80-Q82 PolarHBondContact O-N 2.88Å; E80-I231 HydrophobicContact CB-CD1 4.06Å; E80-I231 HydrophobicContact CB-CG1 4.28Å
81S91.7Very high94.5Very high44 Ų4453.1 Ų53.131%0.30828%0.282SS..  trans-82.7110.3-177.31770000110.4G76 H79 C83 L84 L85G76-S81 PolarHBondContact O-N 3.47Å; G76-S81 VanDerWaalsContact O-N 3.15Å; H79-S81 PolarHBondContact O-N 3.48Å; H79-S81 VanDerWaalsContact O-N 3.11Å; S81-C83 VanDerWaalsContact C-N 3.26Å; S81-C83 PolarHBondContact O-N 3.02Å; S81-L84 PolarHBondContact O-N 3.44Å; S81-L84 PolarHBondContact OG-N 3.36Å; S81-L85 WeakPolarHBondContact O-CB 3.34Å; S81-L85 PolarHBondContact O-N 2.8Å
82Q91Very high94.5Very high73 Ų7350 Ų5034%0.34127%0.265SS..Hα-helixtrans-59.6-37.3177.3-63.5-173.9-46.900112.7E80 G86 I231 R232E80-Q82 PolarHBondContact O-N 2.88Å; Q82-G86 WeakPolarHBondContact O-CA 3.48Å; Q82-G86 PolarHBondContact O-N 3.1Å; Q82-I231 HydrophobicContact CG-CB 4.21Å; Q82-I231 HydrophobicContact CG-CG2 3.44Å; Q82-I231 VanDerWaalsContact CG-CG2 3.44Å; Q82-R232 VanDerWaalsContact NE2-CB 3.34Å
83C94.1Very high94.6Very high98 Ų9850.4 Ų50.466%0.66227%0.27SS*.Hα-helixtrans-64.9-46.6179-179.60000110.6S81 G86 T87S81-C83 VanDerWaalsContact C-N 3.26Å; S81-C83 PolarHBondContact O-N 3.02Å; C83-G86 PolarHBondContact O-N 3.47Å; C83-T87 WeakPolarHBondContact O-CG2 3.38Å; C83-T87 PolarHBondContact O-N 3.44Å
84L94.8Very high94.8Very high41 Ų4154.5 Ų54.522%0.21530%0.295CS..Hα-helixtrans-69.1-41.8-177.7-160.758.9000112F72 C75 S81 G86 T87 Y88F72-L84 HydrophobicContact CB-CD1 4.13Å; F72-L84 HydrophobicContact CB-CG 4.32Å; F72-L84 HydrophobicContact CD1-CD1 3.34Å; F72-L84 HydrophobicContact CD1-CG 4.27Å; F72-L84 HydrophobicContact CE1-CD1 3.91Å; F72-L84 HydrophobicContact CG-CD1 3.92Å; C75-L84 HydrophobicContact CB-CD2 3.46Å; C75-L84 VanDerWaalsContact CB-CD2 3.46Å; S81-L84 PolarHBondContact O-N 3.44Å; S81-L84 PolarHBondContact OG-N 3.36Å; L84-G86 VanDerWaalsContact C-N 3.3Å; L84-G86 PolarHBondContact O-N 2.98Å; L84-T87 WeakPolarHBondContact CA-OG1 3.42Å; L84-T87 PolarHBondContact O-N 3.47Å; L84-T87 PolarHBondContact O-OG1 3.32Å; L84-Y88 PolarHBondContact O-N 3.38Å
85L94Very high94.9Very high1 Ų156 Ų561%0.00530%0.301CS..Hα-helixtrans-65.9-35173.8-168.264.2000111.9L12 S81 Y88 F89 S224 M227 C228 I231L12-L85 HydrophobicContact CD2-CD1 4.32Å; S81-L85 WeakPolarHBondContact O-CB 3.34Å; S81-L85 PolarHBondContact O-N 2.8Å; L85-Y88 HydrophobicContact CD1-CD1 4.29Å; L85-Y88 PolarHBondContact O-N 3.48Å; L85-F89 WeakPolarHBondContact O-CB 3.48Å; L85-F89 PolarHBondContact O-N 3.25Å; L85-S224 WeakPolarHBondContact CD2-O 3.25Å; L85-M227 HydrophobicContact CD2-CB 3.66Å; L85-C228 HydrophobicContact CD2-CB 3.93Å; L85-I231 HydrophobicContact CD2-CD1 4.27Å
86G95.2Very high95Very high24 Ų2457 Ų5725%0.24730%0.3CS..Hα-helixtrans-61.9-46.3171.600000112.1Q82 C83 L84 Y88 F89 T90Q82-G86 WeakPolarHBondContact O-CA 3.48Å; Q82-G86 PolarHBondContact O-N 3.1Å; C83-G86 PolarHBondContact O-N 3.47Å; L84-G86 VanDerWaalsContact C-N 3.3Å; L84-G86 PolarHBondContact O-N 2.98Å; G86-Y88 PolarHBondContact O-N 2.99Å; G86-F89 PolarHBondContact O-N 2.96Å; G86-T90 PolarHBondContact O-N 3.35Å; G86-T90 PolarHBondContact O-OG1 2.88Å; G86-T90 VanDerWaalsContact O-OG1 3.07Å
87T96.1Very high95.2Very high53 Ų5359.3 Ų59.333%0.32532%0.319SS..Hα-helixtrans-61.7-42.5175.654.30000112.3C83 L84 T90 I91C83-T87 WeakPolarHBondContact O-CG2 3.38Å; C83-T87 PolarHBondContact O-N 3.44Å; L84-T87 WeakPolarHBondContact CA-OG1 3.42Å; L84-T87 PolarHBondContact O-N 3.47Å; L84-T87 PolarHBondContact O-OG1 3.32Å; T87-T90 PolarHBondContact O-N 2.96Å; T87-I91 WeakPolarHBondContact O-CD1 3.29Å; T87-I91 VanDerWaalsContact O-CG1 3.24Å; T87-I91 WeakPolarHBondContact O-CG1 3.17Å; T87-I91 PolarHBondContact O-N 3.04Å
88Y96.9Very high95.4Very high4 Ų463.6 Ų63.62%0.01635%0.345CS..Hα-helixtrans-59.1-48.8174.7174.8-110000111.5N16 I69 L84 L85 G86 T90 I91 L92 C220 S224N16-Y88 PolarHBondContact OD1-OH 3.46Å; I69-Y88 HydrophobicContact CG2-CD2 3.89Å; I69-Y88 HydrophobicContact CG2-CE2 3.79Å; I69-Y88 WeakPolarHBondContact O-CD2 3.19Å; L84-Y88 PolarHBondContact O-N 3.38Å; L85-Y88 HydrophobicContact CD1-CD1 4.29Å; L85-Y88 PolarHBondContact O-N 3.48Å; G86-Y88 PolarHBondContact O-N 2.99Å; Y88-T90 PolarHBondContact O-N 3.01Å; Y88-I91 PolarHBondContact O-N 3.39Å; Y88-L92 HydrophobicContact CD1-CD1 4.09Å; Y88-L92 HydrophobicContact CE1-CD1 3.52Å; Y88-L92 HydrophobicContact CE1-CG 4.45Å; Y88-L92 HydrophobicContact CE2-CD1 4.03Å; Y88-L92 HydrophobicContact CE2-CD2 4.42Å; Y88-L92 HydrophobicContact CE2-CG 4.22Å; Y88-L92 VanDerWaalsContact CZ-CD1 3.5Å; Y88-L92 WeakPolarHBondContact O-CG 3.3Å; Y88-L92 PolarHBondContact O-N 3.48Å; Y88-C220 HydrophobicContact CE1-CB 4.33Å; Y88-C220 WeakPolarHBondContact OH-CB 3.19Å; Y88-C220 PolarHBondContact OH-SG 3.17Å; Y88-S224 WeakPolarHBondContact CD1-OG 3.27Å; Y88-S224 WeakPolarHBondContact CE1-OG 3.21Å
89F96.6Very high95.6Very high63 Ų6357.7 Ų57.728%0.27632%0.323SS..Hα-helixtrans-59.7-46.2177.3179.9-94.7000112.5L85 G86 I91 L92 I93 L221 M225L85-F89 WeakPolarHBondContact O-CB 3.48Å; L85-F89 PolarHBondContact O-N 3.25Å; G86-F89 PolarHBondContact O-N 2.96Å; F89-I91 PolarHBondContact O-N 2.86Å; F89-L92 PolarHBondContact O-N 2.91Å; F89-I93 HydrophobicContact CD1-CD1 3.94Å; F89-I93 HydrophobicContact CE1-CD1 3.26Å; F89-I93 HydrophobicContact CE1-CG1 4.19Å; F89-I93 HydrophobicContact CE2-CD1 4.44Å; F89-I93 HydrophobicContact CZ-CD1 3.56Å; F89-I93 HydrophobicContact CZ-CG1 4.34Å; F89-I93 PolarHBondContact O-N 2.74Å; F89-L221 HydrophobicContact CD2-CB 4.5Å; F89-L221 HydrophobicContact CD2-CD2 3.47Å; F89-L221 VanDerWaalsContact CD2-CD2 3.47Å; F89-L221 HydrophobicContact CE2-CB 4.23Å; F89-L221 HydrophobicContact CE2-CD2 3.59Å; F89-L221 HydrophobicContact CG-CD2 4.1Å; F89-L221 HydrophobicContact CZ-CD2 4.31Å; F89-M225 HydrophobicContact CE2-CB 4.18Å
90T97.5Very high95.8Very high86 Ų8654.9 Ų54.953%0.52832%0.315SS..Hα-helixtrans-61.3-43.5177.7-60.40000111.7G86 T87 Y88 I93 V94G86-T90 PolarHBondContact O-N 3.35Å; G86-T90 PolarHBondContact O-OG1 2.88Å; G86-T90 VanDerWaalsContact O-OG1 3.07Å; T87-T90 PolarHBondContact O-N 2.96Å; Y88-T90 PolarHBondContact O-N 3.01Å; T90-I93 PolarHBondContact O-N 3.45Å; T90-V94 WeakPolarHBondContact O-CG2 3.5Å; T90-V94 PolarHBondContact O-N 3.33Å; T90-V94 VanDerWaalsContact O-N 3.11Å
91I97.6Very high96.2Very high51 Ų5155 Ų5526%0.26232%0.321SS..Hα-helixtrans-61.8-45.9177.6-67.9163.5000110.8I69 F72 T87 Y88 F89 I93 V94 I95I69-I91 HydrophobicContact CD1-CG2 3.65Å; I69-I91 HydrophobicContact CG1-CG2 3.83Å; F72-I91 HydrophobicContact CD2-CD1 3.84Å; F72-I91 HydrophobicContact CE2-CD1 4.07Å; T87-I91 WeakPolarHBondContact O-CD1 3.29Å; T87-I91 VanDerWaalsContact O-CG1 3.24Å; T87-I91 WeakPolarHBondContact O-CG1 3.17Å; T87-I91 PolarHBondContact O-N 3.04Å; Y88-I91 PolarHBondContact O-N 3.39Å; F89-I91 PolarHBondContact O-N 2.86Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 2.94Å; I91-V94 PolarHBondContact O-N 3.04Å; I91-V94 VanDerWaalsContact O-N 3.12Å; I91-I95 HydrophobicContact CG2-CD1 3.8Å; I91-I95 HydrophobicContact CG2-CG1 4.32Å; I91-I95 WeakPolarHBondContact O-CG1 3.49Å; I91-I95 PolarHBondContact O-N 3.42Å
92L97.5Very high96.4Very high9 Ų955 Ų555%0.04733%0.328CS..Hα-helixtrans-61.2-38.6178.1-71-177.5000112.8Y88 F89 V94 I95 F96 E217 C220 L221Y88-L92 HydrophobicContact CD1-CD1 4.09Å; Y88-L92 HydrophobicContact CE1-CD1 3.52Å; Y88-L92 HydrophobicContact CE1-CG 4.45Å; Y88-L92 HydrophobicContact CE2-CD1 4.03Å; Y88-L92 HydrophobicContact CE2-CD2 4.42Å; Y88-L92 HydrophobicContact CE2-CG 4.22Å; Y88-L92 VanDerWaalsContact CZ-CD1 3.5Å; Y88-L92 WeakPolarHBondContact O-CG 3.3Å; Y88-L92 PolarHBondContact O-N 3.48Å; F89-L92 PolarHBondContact O-N 2.91Å; L92-V94 VanDerWaalsContact C-N 3.33Å; L92-V94 PolarHBondContact O-N 3.49Å; L92-I95 PolarHBondContact O-N 3.02Å; L92-F96 WeakPolarHBondContact O-CB 3.47Å; L92-F96 PolarHBondContact O-N 3.49Å; L92-E217 HydrophobicContact CD2-CG 4.34Å; L92-C220 HydrophobicContact CD1-CB 3.47Å; L92-C220 VanDerWaalsContact CD1-CB 3.47Å; L92-L221 HydrophobicContact CB-CD2 3.55Å; L92-L221 HydrophobicContact CB-CG 3.92Å; L92-L221 HydrophobicContact CD1-CD2 4.25Å; L92-L221 HydrophobicContact CD1-CG 4.25Å
93I97.7Very high96.6Very high79 Ų7954.3 Ų54.341%0.40534%0.335SS..Hα-helixtrans-61.6-42.9173.7-73.9-174.5000111.2F89 T90 I91 I95 F96 A97 L221F89-I93 HydrophobicContact CD1-CD1 3.94Å; F89-I93 HydrophobicContact CE1-CD1 3.26Å; F89-I93 HydrophobicContact CE1-CG1 4.19Å; F89-I93 HydrophobicContact CE2-CD1 4.44Å; F89-I93 HydrophobicContact CZ-CD1 3.56Å; F89-I93 HydrophobicContact CZ-CG1 4.34Å; F89-I93 PolarHBondContact O-N 2.74Å; T90-I93 PolarHBondContact O-N 3.45Å; I91-I93 VanDerWaalsContact C-N 3.33Å; I91-I93 PolarHBondContact O-N 2.94Å; I93-I95 VanDerWaalsContact C-N 3.34Å; I93-F96 PolarHBondContact O-N 2.9Å; I93-A97 VanDerWaalsContact O-CB 3.32Å; I93-A97 WeakPolarHBondContact O-CB 3.24Å; I93-A97 PolarHBondContact O-N 2.96Å; I93-L221 HydrophobicContact CG1-CD1 4.32Å; I93-L221 HydrophobicContact CG1-CD2 3.68Å
94V98.2Very high96.7Very high86 Ų8653 Ų5352%0.52132%0.324SS..Hα-helixtrans-64.1-41.3179.3171.40000111.1T90 I91 L92 T98T90-V94 WeakPolarHBondContact O-CG2 3.5Å; T90-V94 PolarHBondContact O-N 3.33Å; T90-V94 VanDerWaalsContact O-N 3.11Å; I91-V94 PolarHBondContact O-N 3.04Å; I91-V94 VanDerWaalsContact O-N 3.12Å; L92-V94 VanDerWaalsContact C-N 3.33Å; L92-V94 PolarHBondContact O-N 3.49Å; V94-T98 WeakPolarHBondContact O-CB 3.43Å; V94-T98 PolarHBondContact O-N 3.49Å; V94-T98 PolarHBondContact O-OG1 3.28Å
95I97.4Very high96.8Very high51 Ų5155 Ų5526%0.26233%0.334SS..Hα-helixtrans-65.5-47.6177.1-62.2170.1000110.3I69 I91 L92 I93 A97 T98 Q99 E217I69-I95 HydrophobicContact CD1-CD1 3.61Å; I91-I95 HydrophobicContact CG2-CD1 3.8Å; I91-I95 HydrophobicContact CG2-CG1 4.32Å; I91-I95 WeakPolarHBondContact O-CG1 3.49Å; I91-I95 PolarHBondContact O-N 3.42Å; L92-I95 PolarHBondContact O-N 3.02Å; I93-I95 VanDerWaalsContact C-N 3.34Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 3.06Å; I95-T98 CarbonylContact O-C 3.6Å; I95-T98 WeakPolarHBondContact O-CA 3.24Å; I95-T98 WeakPolarHBondContact O-CB 3.37Å; I95-T98 PolarHBondContact O-N 3.36Å; I95-T98 VanDerWaalsContact O-N 3.08Å; I95-Q99 WeakPolarHBondContact O-CG 3.44Å; I95-Q99 PolarHBondContact O-N 3.32Å; I95-E217 WeakPolarHBondContact CG2-OE1 3.39Å
96F97.5Very high96.9Very high69 Ų6956.4 Ų56.430%0.30335%0.349SS..Hα-helixtrans-58.4-46177.4-179.6-101.2000111.9L92 I93 T98 Q99 V100 A214 E217 I218L92-F96 WeakPolarHBondContact O-CB 3.47Å; L92-F96 PolarHBondContact O-N 3.49Å; I93-F96 PolarHBondContact O-N 2.9Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 2.99Å; F96-Q99 PolarHBondContact O-N 3.06Å; F96-V100 HydrophobicContact CD1-CG2 4.43Å; F96-V100 HydrophobicContact CE1-CG2 4.01Å; F96-V100 HydrophobicContact CE2-CG2 4.45Å; F96-V100 HydrophobicContact CZ-CG2 4.02Å; F96-V100 WeakPolarHBondContact O-CG2 3.38Å; F96-V100 PolarHBondContact O-N 2.95Å; F96-A214 HydrophobicContact CD2-CB 4.44Å; F96-A214 HydrophobicContact CE2-CB 4.24Å; F96-E217 VanDerWaalsContact CA-OE2 3.29Å; F96-E217 WeakPolarHBondContact CA-OE2 3.42Å; F96-E217 WeakPolarHBondContact CB-OE2 3.03Å; F96-E217 PolarHBondContact N-OE2 3.15Å; F96-I218 HydrophobicContact CD2-CG1 4.38Å; F96-I218 HydrophobicContact CE2-CD1 3.86Å; F96-I218 HydrophobicContact CE2-CG1 3.98Å; F96-I218 HydrophobicContact CZ-CD1 4.27Å
97A98.1Very high96.8Very high47 Ų4763 Ų6339%0.38837%0.367SS..Hα-helixtrans-60.3-42175.500000111.4I93 I95 Q99 V100 T101I93-A97 VanDerWaalsContact O-CB 3.32Å; I93-A97 WeakPolarHBondContact O-CB 3.24Å; I93-A97 PolarHBondContact O-N 2.96Å; I95-A97 VanDerWaalsContact C-N 3.34Å; I95-A97 PolarHBondContact O-N 3.06Å; A97-Q99 PolarHBondContact O-N 3.48Å; A97-V100 PolarHBondContact O-N 3.31Å; A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 PolarHBondContact O-N 2.97Å; A97-T101 PolarHBondContact O-OG1 3.47Å; A97-T101 VanDerWaalsContact O-OG1 3.05Å
98T97.5Very high96.9Very high90 Ų9065.6 Ų65.655%0.55238%0.379SS*.Hα-helixtrans-64.4-37.8177.4-61.30000111.9V94 I95 F96 G102V94-T98 WeakPolarHBondContact O-CB 3.43Å; V94-T98 PolarHBondContact O-N 3.49Å; V94-T98 PolarHBondContact O-OG1 3.28Å; I95-T98 CarbonylContact O-C 3.6Å; I95-T98 WeakPolarHBondContact O-CA 3.24Å; I95-T98 WeakPolarHBondContact O-CB 3.37Å; I95-T98 PolarHBondContact O-N 3.36Å; I95-T98 VanDerWaalsContact O-N 3.08Å; F96-T98 VanDerWaalsContact C-N 3.3Å; F96-T98 PolarHBondContact O-N 2.99Å; T98-G102 PolarHBondContact O-N 3.02Å
99Q96.2Very high96.9Very high38 Ų3871.1 Ų71.118%0.17840%0.401CS..Hα-helixtrans-64-46.9173.9-72.7173.316.200111.7I95 F96 A97 G102 A103 E217I95-Q99 WeakPolarHBondContact O-CG 3.44Å; I95-Q99 PolarHBondContact O-N 3.32Å; F96-Q99 PolarHBondContact O-N 3.06Å; A97-Q99 PolarHBondContact O-N 3.48Å; Q99-G102 PolarHBondContact O-N 2.69Å; Q99-A103 VanDerWaalsContact O-CB 3.28Å; Q99-A103 WeakPolarHBondContact O-CB 3.29Å; Q99-A103 PolarHBondContact O-N 3.38Å; Q99-E217 VanDerWaalsContact NE2-CD 3.31Å; Q99-E217 PolarHBondContact NE2-OE1 3.44Å; Q99-E217 PolarHBondContact NE2-OE2 2.95Å; Q99-E217 PolarHBondContact OE1-OE2 3.41Å
100V96.9Very high96.8Very high72 Ų7273.6 Ų73.644%0.43641%0.408SS..Hα-helixtrans-62.4-45.5177.9174.10000110.7F96 A97 T104F96-V100 HydrophobicContact CD1-CG2 4.43Å; F96-V100 HydrophobicContact CE1-CG2 4.01Å; F96-V100 HydrophobicContact CE2-CG2 4.45Å; F96-V100 HydrophobicContact CZ-CG2 4.02Å; F96-V100 WeakPolarHBondContact O-CG2 3.38Å; F96-V100 PolarHBondContact O-N 2.95Å; A97-V100 PolarHBondContact O-N 3.31Å; V100-T104 WeakPolarHBondContact O-CB 3Å; V100-T104 PolarHBondContact O-N 3.39Å; V100-T104 PolarHBondContact O-OG1 2.85Å
101T97.7Very high96.6Very high77 Ų7775.9 Ų75.947%0.47241%0.413SS..Hα-helixtrans-62.8-47.9176-61.70000111.4A97 A103 T104 L105A97-T101 WeakPolarHBondContact O-CB 3.48Å; A97-T101 PolarHBondContact O-N 2.97Å; A97-T101 PolarHBondContact O-OG1 3.47Å; A97-T101 VanDerWaalsContact O-OG1 3.05Å; T101-A103 PolarHBondContact O-N 2.91Å; T101-T104 PolarHBondContact O-N 3.49Å; T101-L105 HydrophobicContact CG2-CD1 3.7Å; T101-L105 HydrophobicContact CG2-CG 4.13Å; T101-L105 WeakPolarHBondContact O-CB 3.44Å; T101-L105 VanDerWaalsContact O-CG 3.31Å; T101-L105 WeakPolarHBondContact O-CG 3.3Å; T101-L105 PolarHBondContact O-N 2.97Å
102G96.4Very high96.6Very high43 Ų4379.5 Ų79.544%0.44343%0.429SS..Hα-helixtrans-61.2-43.217900000112.9T98 Q99 G106T98-G102 PolarHBondContact O-N 3.02Å; Q99-G102 PolarHBondContact O-N 2.69Å; G102-G106 WeakPolarHBondContact O-CA 3.3Å; G102-G106 PolarHBondContact O-N 3.05Å
103A95.2Very high96.5Very high59 Ų5982.7 Ų82.749%0.48845%0.445SS..Hα-helixtrans-64.7-42.7175.500000112Q99 T101 Y107Q99-A103 VanDerWaalsContact O-CB 3.28Å; Q99-A103 WeakPolarHBondContact O-CB 3.29Å; Q99-A103 PolarHBondContact O-N 3.38Å; T101-A103 PolarHBondContact O-N 2.91Å; A103-Y107 WeakPolarHBondContact O-CB 3.25Å; A103-Y107 PolarHBondContact O-N 2.69Å
104T96.5Very high96.3Very high70 Ų7081 Ų8143%0.42944%0.436SS..Hα-helixtrans-65.6-50.8179.3-56.40000111.1V100 T101 Y107 L108V100-T104 WeakPolarHBondContact O-CB 3Å; V100-T104 PolarHBondContact O-N 3.39Å; V100-T104 PolarHBondContact O-OG1 2.85Å; T101-T104 PolarHBondContact O-N 3.49Å; T104-Y107 PolarHBondContact O-N 3.38Å; T104-L108 HydrophobicContact CG2-CD1 3.85Å; T104-L108 HydrophobicContact CG2-CG 4.38Å; T104-L108 WeakPolarHBondContact O-CB 3.38Å; T104-L108 WeakPolarHBondContact O-CG 3.27Å; T104-L108 PolarHBondContact O-N 3.33Å
105L96.6Very high96.2Very high83 Ų8383.1 Ų83.144%0.43544%0.438SS..Hα-helixtrans-64.7-40.7178.3-66.3179.5000111.3T101 Y107 L108 Y109T101-L105 HydrophobicContact CG2-CD1 3.7Å; T101-L105 HydrophobicContact CG2-CG 4.13Å; T101-L105 WeakPolarHBondContact O-CB 3.44Å; T101-L105 VanDerWaalsContact O-CG 3.31Å; T101-L105 WeakPolarHBondContact O-CG 3.3Å; T101-L105 PolarHBondContact O-N 2.97Å; L105-Y107 VanDerWaalsContact C-N 3.28Å; L105-Y107 PolarHBondContact O-N 3.12Å; L105-L108 PolarHBondContact O-N 3.39Å; L105-Y109 HydrophobicContact CB-CD2 4.3Å; L105-Y109 HydrophobicContact CD2-CD2 3.88Å; L105-Y109 HydrophobicContact CD2-CE2 3.58Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 WeakPolarHBondContact O-CD2 3.24Å; L105-Y109 PolarHBondContact O-N 3.33Å
106G94.9Very high96.1Very high31 Ų3186.7 Ų86.732%0.3245%0.449SS..Hα-helixtrans-59.8-36.6175.700000112.9G102 R110G102-G106 WeakPolarHBondContact O-CA 3.3Å; G102-G106 PolarHBondContact O-N 3.05Å; G106-R110 WeakPolarHBondContact O-CA 3.26Å; G106-R110 VanDerWaalsContact O-CB 3.28Å; G106-R110 WeakPolarHBondContact O-CB 3.46Å; G106-R110 PolarHBondContact O-N 3.11Å
107Y94Very high95.9Very high161 Ų16184.8 Ų84.863%0.63144%0.443SS*.Hα-helixtrans-76.3-45.9176178.6-101000113.3A103 T104 L105 R110A103-Y107 WeakPolarHBondContact O-CB 3.25Å; A103-Y107 PolarHBondContact O-N 2.69Å; T104-Y107 PolarHBondContact O-N 3.38Å; L105-Y107 VanDerWaalsContact C-N 3.28Å; L105-Y107 PolarHBondContact O-N 3.12Å; Y107-R110 PolarHBondContact O-NH1 3.37Å; Y107-R110 VanDerWaalsContact O-NH1 3.14Å
108L97.5Very high95.8Very high108 Ų10883.3 Ų83.357%0.56543%0.428SS*.Hα-helixtrans-66-44.7-178.4-72.1176.5000111.9T104 L105T104-L108 HydrophobicContact CG2-CD1 3.85Å; T104-L108 HydrophobicContact CG2-CG 4.38Å; T104-L108 WeakPolarHBondContact O-CB 3.38Å; T104-L108 WeakPolarHBondContact O-CG 3.27Å; T104-L108 PolarHBondContact O-N 3.33Å; L105-L108 PolarHBondContact O-N 3.39Å
109Y97Very high95.7Very high121 Ų12182.1 Ų82.148%0.47542%0.419SS..THydrogen-bonded Turntrans-100.719.9-175.6-61.8-75.7000113L105 E111 E112 I113L105-Y109 HydrophobicContact CB-CD2 4.3Å; L105-Y109 HydrophobicContact CD2-CD2 3.88Å; L105-Y109 HydrophobicContact CD2-CE2 3.58Å; L105-Y109 WeakPolarHBondContact O-CB 3.47Å; L105-Y109 WeakPolarHBondContact O-CD2 3.24Å; L105-Y109 PolarHBondContact O-N 3.33Å; Y109-E111 VanDerWaalsContact C-N 3.27Å; Y109-E111 PolarHBondContact O-N 3.46Å; Y109-E112 VanDerWaalsContact CD1-OE2 3.29Å; Y109-E112 WeakPolarHBondContact CD1-OE2 3.48Å; Y109-E112 PolarHBondContact O-N 3.36Å; Y109-E112 VanDerWaalsContact O-N 3.13Å; Y109-I113 VanDerWaalsContact O-CG1 3.32Å; Y109-I113 WeakPolarHBondContact O-CG1 3.45Å; Y109-I113 PolarHBondContact O-N 3Å
110R94.1Very high95.5Very high115 Ų11585 Ų8543%0.43443%0.428SS..Hα-helixtrans-54.4-40.3-176.673.1-173.5179.3-81.2-14.7113.3G106 Y107 M114G106-R110 WeakPolarHBondContact O-CA 3.26Å; G106-R110 VanDerWaalsContact O-CB 3.28Å; G106-R110 WeakPolarHBondContact O-CB 3.46Å; G106-R110 PolarHBondContact O-N 3.11Å; Y107-R110 PolarHBondContact O-NH1 3.37Å; Y107-R110 VanDerWaalsContact O-NH1 3.14Å; R110-M114 VanDerWaalsContact O-CG 3.24Å; R110-M114 WeakPolarHBondContact O-CG 3.29Å; R110-M114 PolarHBondContact O-N 2.99Å
111E95.1Very high95.3Very high134 Ų13481.7 Ų81.763%0.62641%0.408SS*.Hα-helixtrans-73.1-37.1-178-71172.5-156.300111.4Y109 M114 K115Y109-E111 VanDerWaalsContact C-N 3.27Å; Y109-E111 PolarHBondContact O-N 3.46Å; E111-M114 PolarHBondContact O-N 3.25Å; E111-K115 PolarHBondContact O-N 3.47Å
112E96.7Very high95.1Very high127 Ų12782.1 Ų82.159%0.59340%0.401SS*.Hα-helixtrans-69.1-41.1175.6-172.3170.6-177.700111.5Y109 M114 K115 Y116Y109-E112 VanDerWaalsContact CD1-OE2 3.29Å; Y109-E112 WeakPolarHBondContact CD1-OE2 3.48Å; Y109-E112 PolarHBondContact O-N 3.36Å; Y109-E112 VanDerWaalsContact O-N 3.13Å; E112-M114 VanDerWaalsContact C-N 3.33Å; E112-M114 PolarHBondContact O-N 3.42Å; E112-K115 PolarHBondContact O-N 3.39Å; E112-Y116 WeakPolarHBondContact O-CB 3.37Å; E112-Y116 PolarHBondContact O-N 3.39Å
113I94.4Very high94.8Very high75 Ų7584.7 Ų84.739%0.38540%0.401SS..Hα-helixtrans-59.9-45.1172.6-67.3165.4000110.3Y109 K115 Y116 V117Y109-I113 VanDerWaalsContact O-CG1 3.32Å; Y109-I113 WeakPolarHBondContact O-CG1 3.45Å; Y109-I113 PolarHBondContact O-N 3Å; I113-K115 VanDerWaalsContact C-N 3.3Å; I113-K115 PolarHBondContact O-N 3.45Å; I113-Y116 PolarHBondContact O-N 2.92Å; I113-V117 WeakPolarHBondContact O-CG2 3.26Å; I113-V117 PolarHBondContact O-N 2.7Å
114M94.8Very high94.5Very high43 Ų4382 Ų8221%0.21238%0.38CS..Hα-helixtrans-62.8-37.4176.9-73.5-58.4-51.400112.4R110 E111 E112 D118 Y195 K196 L199R110-M114 VanDerWaalsContact O-CG 3.24Å; R110-M114 WeakPolarHBondContact O-CG 3.29Å; R110-M114 PolarHBondContact O-N 2.99Å; E111-M114 PolarHBondContact O-N 3.25Å; E112-M114 VanDerWaalsContact C-N 3.33Å; E112-M114 PolarHBondContact O-N 3.42Å; M114-D118 PolarHBondContact O-N 2.96Å; M114-D118 VanDerWaalsContact O-N 3.12Å; M114-Y195 HydrophobicContact CE-CD1 3.74Å; M114-Y195 HydrophobicContact CE-CE1 4.05Å; M114-Y195 HydrophobicContact SD-CD1 4.11Å; M114-Y195 HydrophobicContact SD-CE1 3.81Å; M114-K196 HydrophobicContact CE-CD 4.25Å; M114-K196 HydrophobicContact CE-CG 3.36Å; M114-L199 HydrophobicContact SD-CD1 3.76Å
115K96.2Very high94.1Very high131 Ų13179.7 Ų79.757%0.5736%0.364SS*.Hα-helixtrans-67.5-43.9174.6-174.3-176.6173.7-173.60111.6E111 E112 I113 V117 D118 D119E111-K115 PolarHBondContact O-N 3.47Å; E112-K115 PolarHBondContact O-N 3.39Å; I113-K115 VanDerWaalsContact C-N 3.3Å; I113-K115 PolarHBondContact O-N 3.45Å; K115-V117 VanDerWaalsContact C-N 3.28Å; K115-V117 PolarHBondContact O-N 2.97Å; K115-D118 WeakPolarHBondContact O-CB 3.4Å; K115-D118 PolarHBondContact O-N 2.94Å; K115-D118 VanDerWaalsContact O-N 3.13Å; K115-D119 VanDerWaalsContact O-CG 3.31Å; K115-D119 PolarHBondContact O-N 2.92Å
116Y95.3Very high93.7Very high127 Ų12781.3 Ų81.350%0.49837%0.37SS..Hα-helixtrans-58.6-40.6176.5179.3-95.8000112.1E112 I113 D119 R120E112-Y116 WeakPolarHBondContact O-CB 3.37Å; E112-Y116 PolarHBondContact O-N 3.39Å; I113-Y116 PolarHBondContact O-N 2.92Å; Y116-D119 PolarHBondContact O-N 3.46Å; Y116-R120 HydrophobicContact CD1-CG 4.25Å; Y116-R120 HydrophobicContact CE1-CG 3.99Å; Y116-R120 WeakPolarHBondContact O-CB 3.41Å; Y116-R120 VanDerWaalsContact O-CG 3.29Å; Y116-R120 WeakPolarHBondContact O-CG 3.33Å; Y116-R120 PolarHBondContact O-N 3.39Å; Y116-R120 PolarHBondContact OH-NH1 3.42Å
117V93.9Very high93.2Very high28 Ų2884.1 Ų84.117%0.1738%0.375CS..Hα-helixtrans-65.8-42.3175.2173.70000111.5I113 K115 R120 M121 Y195I113-V117 WeakPolarHBondContact O-CG2 3.26Å; I113-V117 PolarHBondContact O-N 2.7Å; K115-V117 VanDerWaalsContact C-N 3.28Å; K115-V117 PolarHBondContact O-N 2.97Å; V117-R120 PolarHBondContact O-N 3.07Å; V117-M121 HydrophobicContact CG1-CE 3.57Å; V117-M121 HydrophobicContact CG1-SD 4.42Å; V117-M121 VanDerWaalsContact O-CG 3.32Å; V117-M121 WeakPolarHBondContact O-CG 3.33Å; V117-M121 PolarHBondContact O-N 3.02Å; V117-Y195 HydrophobicContact CB-CE1 4.45Å; V117-Y195 HydrophobicContact CG1-CD1 4.1Å; V117-Y195 HydrophobicContact CG1-CE1 3.95Å; V117-Y195 HydrophobicContact CG2-CE1 4.32Å
118D94.8Very high92.5Very high16 Ų1679.2 Ų79.29%0.08636%0.355CS..Hα-helixtrans-60.1-48.2174.1-176.1-0.3000111.1M114 K115 R120 M121 R122 V154 K192M114-D118 PolarHBondContact O-N 2.96Å; M114-D118 VanDerWaalsContact O-N 3.12Å; K115-D118 WeakPolarHBondContact O-CB 3.4Å; K115-D118 PolarHBondContact O-N 2.94Å; K115-D118 VanDerWaalsContact O-N 3.13Å; D118-R120 PolarHBondContact O-N 3.09Å; D118-M121 WeakPolarHBondContact O-CB 3.25Å; D118-M121 PolarHBondContact O-N 3.37Å; D118-M121 VanDerWaalsContact O-N 3.15Å; D118-R122 WeakPolarHBondContact O-CG 3.47Å; D118-R122 PolarHBondContact O-N 2.88Å; D118-R122 IonicContact OD1-CZ 3.25Å; D118-R122 IonicContact OD1-NE 3.8Å; D118-R122 PolarHBondContact OD1-NE 2.88Å; D118-R122 IonicContact OD1-NH2 2.58Å; D118-R122 PolarHBondContact OD1-NH2 3.44Å; D118-R122 IonicContact OD2-NH2 3.58Å; D118-V154 WeakPolarHBondContact OD1-CG1 3.29Å; D118-K192 VanDerWaalsContact OD2-CE 3.28Å; D118-K192 WeakPolarHBondContact OD2-CE 3.41Å; D118-K192 IonicContact OD2-NZ 2.74Å; D118-K192 PolarHBondContact OD2-NZ 3.22Å
119D94.9Very high91.6Very high66 Ų6677.6 Ų77.635%0.35335%0.353SS..Hα-helixtrans-61.5-42.2178.1-67.1-19.2000111.1K115 Y116 M121 R122 E123K115-D119 VanDerWaalsContact O-CG 3.31Å; K115-D119 PolarHBondContact O-N 2.92Å; Y116-D119 PolarHBondContact O-N 3.46Å; D119-M121 VanDerWaalsContact C-N 3.34Å; D119-M121 PolarHBondContact O-N 2.86Å; D119-R122 WeakPolarHBondContact O-CB 3.32Å; D119-R122 PolarHBondContact O-N 3.06Å; D119-R122 VanDerWaalsContact O-N 3.13Å; D119-E123 WeakPolarHBondContact O-CG 3.43Å; D119-E123 PolarHBondContact O-N 3.28Å
120R91.9Very high90.7Very high98 Ų9878.7 Ų78.737%0.3737%0.365SS..Hα-helixtrans-64.2-36.1174.6-77-70.6144.493.911.2113.6Y116 V117 D118 E123 G124 F141Y116-R120 HydrophobicContact CD1-CG 4.25Å; Y116-R120 HydrophobicContact CE1-CG 3.99Å; Y116-R120 WeakPolarHBondContact O-CB 3.41Å; Y116-R120 VanDerWaalsContact O-CG 3.29Å; Y116-R120 WeakPolarHBondContact O-CG 3.33Å; Y116-R120 PolarHBondContact O-N 3.39Å; Y116-R120 PolarHBondContact OH-NH1 3.42Å; V117-R120 PolarHBondContact O-N 3.07Å; D118-R120 PolarHBondContact O-N 3.09Å; R120-E123 VanDerWaalsContact CD-OE2 3.24Å; R120-E123 WeakPolarHBondContact CD-OE2 3.33Å; R120-E123 IonicContact CZ-OE2 3.23Å; R120-E123 IonicContact NE-OE1 2.62Å; R120-E123 IonicContact NE-OE2 3.21Å; R120-E123 PolarHBondContact NE-OE2 3.15Å; R120-G124 PolarHBondContact O-N 3.34Å; R120-G124 VanDerWaalsContact O-N 3.14Å; R120-F141 HydrophobicContact CB-CE1 4.26Å; R120-F141 HydrophobicContact CB-CZ 4.35Å
121M93.1Very high89.6Confident3 Ų374.8 Ų74.82%0.01535%0.352CS..Hα-helixtrans-65.7-42172.6-72.1175-173.600110.5V117 D118 D119 G124 I125 M142 I145 V154 C191V117-M121 HydrophobicContact CG1-CE 3.57Å; V117-M121 HydrophobicContact CG1-SD 4.42Å; V117-M121 VanDerWaalsContact O-CG 3.32Å; V117-M121 WeakPolarHBondContact O-CG 3.33Å; V117-M121 PolarHBondContact O-N 3.02Å; D118-M121 WeakPolarHBondContact O-CB 3.25Å; D118-M121 PolarHBondContact O-N 3.37Å; D118-M121 VanDerWaalsContact O-N 3.15Å; D119-M121 VanDerWaalsContact C-N 3.34Å; D119-M121 PolarHBondContact O-N 2.86Å; M121-G124 PolarHBondContact O-N 3.48Å; M121-I125 PolarHBondContact O-N 2.9Å; M121-I125 VanDerWaalsContact O-N 3.1Å; M121-M142 VanDerWaalsContact CA-CE 3.42Å; M121-M142 HydrophobicContact CB-CE 3.77Å; M121-M142 HydrophobicContact CG-CE 4.17Å; M121-M142 WeakPolarHBondContact O-CE 3.43Å; M121-I145 HydrophobicContact CE-CD1 4.11Å; M121-I145 HydrophobicContact CE-CG2 4.07Å; M121-I145 HydrophobicContact CG-CD1 4.33Å; M121-V154 HydrophobicContact CB-CG2 3.52Å; M121-C191 HydrophobicContact CE-CB 4.27Å; M121-C191 HydrophobicContact SD-CB 3.99Å
122R93.5Very high88.1Confident86 Ų8674.2 Ų74.233%0.32534%0.344SS..Hα-helixtrans-62.8-45.7177.1-69.2176.1-172.8-68.9-18.1112.5D118 D119 G124 I125 E126 V154 N155D118-R122 WeakPolarHBondContact O-CG 3.47Å; D118-R122 PolarHBondContact O-N 2.88Å; D118-R122 IonicContact OD1-CZ 3.25Å; D118-R122 IonicContact OD1-NE 3.8Å; D118-R122 PolarHBondContact OD1-NE 2.88Å; D118-R122 IonicContact OD1-NH2 2.58Å; D118-R122 PolarHBondContact OD1-NH2 3.44Å; D118-R122 IonicContact OD2-NH2 3.58Å; D119-R122 WeakPolarHBondContact O-CB 3.32Å; D119-R122 PolarHBondContact O-N 3.06Å; D119-R122 VanDerWaalsContact O-N 3.13Å; R122-G124 PolarHBondContact O-N 3.27Å; R122-I125 PolarHBondContact O-N 3.39Å; R122-E126 WeakPolarHBondContact O-CG 3.4Å; R122-E126 PolarHBondContact O-N 2.78Å; R122-V154 HydrophobicContact CG-CG2 3.85Å; R122-N155 PolarHBondContact NH2-ND2 3.47Å; R122-N155 VanDerWaalsContact NH2-ND2 3.11Å
123E90.6Very high86.2Confident96 Ų9676 Ų7645%0.44936%0.358SS..Hα-helixtrans-54.6-42.6173.7-73171.9-176.200111D119 R120 I125 E126 E127D119-E123 WeakPolarHBondContact O-CG 3.43Å; D119-E123 PolarHBondContact O-N 3.28Å; R120-E123 VanDerWaalsContact CD-OE2 3.24Å; R120-E123 WeakPolarHBondContact CD-OE2 3.33Å; R120-E123 IonicContact CZ-OE2 3.23Å; R120-E123 IonicContact NE-OE1 2.62Å; R120-E123 IonicContact NE-OE2 3.21Å; R120-E123 PolarHBondContact NE-OE2 3.15Å; E123-I125 PolarHBondContact O-N 2.99Å; E123-E126 PolarHBondContact O-N 2.93Å; E123-E127 WeakPolarHBondContact O-CB 3.49Å; E123-E127 PolarHBondContact O-N 2.88Å
124G88.8Confident84.3Confident4 Ų478.4 Ų78.44%0.04137%0.367CS..Hα-helixtrans-65.9-31.5176.800000114.5R120 M121 R122 Y128R120-G124 PolarHBondContact O-N 3.34Å; R120-G124 VanDerWaalsContact O-N 3.14Å; M121-G124 PolarHBondContact O-N 3.48Å; R122-G124 PolarHBondContact O-N 3.27Å; G124-Y128 PolarHBondContact O-N 3.01Å
125I88.3Confident82.2Confident20 Ų2087.8 Ų87.810%0.10340%0.401CS..Hα-helixtrans-73.6-40.8173.2-63.3-177.8000110.6M121 R122 E123 E127 Y128 S129 M142 V154 D159 Y160M121-I125 PolarHBondContact O-N 2.9Å; M121-I125 VanDerWaalsContact O-N 3.1Å; R122-I125 PolarHBondContact O-N 3.39Å; E123-I125 PolarHBondContact O-N 2.99Å; I125-E127 VanDerWaalsContact C-N 3.34Å; I125-Y128 WeakPolarHBondContact O-CB 3.38Å; I125-Y128 PolarHBondContact O-N 2.86Å; I125-S129 PolarHBondContact O-N 2.87Å; I125-M142 HydrophobicContact CG1-CE 3.99Å; I125-V154 HydrophobicContact CD1-CB 4.29Å; I125-V154 HydrophobicContact CD1-CG2 3.51Å; I125-V154 HydrophobicContact CG1-CG2 4.38Å; I125-D159 HydrophobicContact CD1-CB 3.69Å; I125-Y160 HydrophobicContact CB-CE1 4.4Å; I125-Y160 HydrophobicContact CG1-CE1 4.13Å; I125-Y160 HydrophobicContact CG2-CD1 4.09Å; I125-Y160 HydrophobicContact CG2-CE1 4Å
126E87.4Confident80Confident118 Ų11889.8 Ų89.855%0.55141%0.412SS*.Hα-helixtrans-61.4-44.1175.9-71.9178.6-175.700111.1R122 E123 Y128 S129 M130R122-E126 WeakPolarHBondContact O-CG 3.4Å; R122-E126 PolarHBondContact O-N 2.78Å; E123-E126 PolarHBondContact O-N 2.93Å; E126-Y128 VanDerWaalsContact C-N 3.29Å; E126-Y128 PolarHBondContact O-N 3.08Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.4Å; E126-S129 VanDerWaalsContact O-N 3.08Å; E126-S129 PolarHBondContact O-OG 3.04Å; E126-M130 PolarHBondContact O-N 3.37Å
127E84.1Confident77.8Confident89 Ų8988.7 Ų88.742%0.41641%0.414SS..Hα-helixtrans-58.7-41.6174.4-169178.4-17700111.6E123 I125 S129 M130 L131 V139E123-E127 WeakPolarHBondContact O-CB 3.49Å; E123-E127 PolarHBondContact O-N 2.88Å; I125-E127 VanDerWaalsContact C-N 3.34Å; E127-S129 VanDerWaalsContact C-N 3.29Å; E127-S129 PolarHBondContact O-N 3.42Å; E127-M130 PolarHBondContact O-N 3.23Å; E127-M130 VanDerWaalsContact O-N 3.17Å; E127-L131 HydrophobicContact CG-CD1 3.85Å; E127-L131 HydrophobicContact CG-CG 4.32Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 WeakPolarHBondContact O-CG 3.5Å; E127-L131 PolarHBondContact O-N 3.41Å; E127-V139 HydrophobicContact CB-CG1 4.37Å; E127-V139 HydrophobicContact CB-CG2 3.91Å; E127-V139 HydrophobicContact CG-CG1 4.49Å; E127-V139 HydrophobicContact CG-CG2 3.78Å; E127-V139 WeakPolarHBondContact OE2-CG1 3.49Å
128Y80.5Confident75.9Confident58 Ų5890.4 Ų90.423%0.22743%0.426CS..Hα-helixtrans-61.8-39.2175.6-170.3-88000111.8G124 I125 E126 M130 L131 R132 V139 Y160 S163 P165G124-Y128 PolarHBondContact O-N 3.01Å; I125-Y128 WeakPolarHBondContact O-CB 3.38Å; I125-Y128 PolarHBondContact O-N 2.86Å; E126-Y128 VanDerWaalsContact C-N 3.29Å; E126-Y128 PolarHBondContact O-N 3.08Å; Y128-M130 VanDerWaalsContact C-N 3.34Å; Y128-L131 PolarHBondContact O-N 2.92Å; Y128-R132 PolarHBondContact O-N 3.48Å; Y128-V139 HydrophobicContact CD2-CG2 4.4Å; Y128-Y160 AromaticContact CD1-CD1 3.73Å; Y128-Y160 HydrophobicContact CD1-CD1 3.73Å; Y128-Y160 AromaticContact CD1-CE1 3.79Å; Y128-Y160 HydrophobicContact CD1-CE1 3.79Å; Y128-Y160 HydrophobicContact CE1-CD1 4.16Å; Y128-Y160 HydrophobicContact CE1-CE1 4.39Å; Y128-Y160 HydrophobicContact CG-CD1 4.3Å; Y128-Y160 AromaticContact CG-CE1 3.88Å; Y128-Y160 HydrophobicContact CG-CE1 3.88Å; Y128-S163 VanDerWaalsContact CE1-O 3.27Å; Y128-S163 WeakPolarHBondContact CE1-O 3.35Å; Y128-P165 HydrophobicContact CD1-CG 4.47Å; Y128-P165 HydrophobicContact CD2-CG 4.14Å; Y128-P165 HydrophobicContact CE1-CG 4.06Å; Y128-P165 HydrophobicContact CE2-CB 3.92Å; Y128-P165 HydrophobicContact CE2-CG 3.69Å; Y128-P165 WeakPolarHBondContact OH-CA 3.41Å
129S78.1Confident74.4Confident75 Ų7589.7 Ų89.752%0.52442%0.423SS..Hα-helixtrans-67-34176.778.50000112.9I125 E126 E127 R132I125-S129 PolarHBondContact O-N 2.87Å; E126-S129 WeakPolarHBondContact O-CB 3.35Å; E126-S129 PolarHBondContact O-N 3.4Å; E126-S129 VanDerWaalsContact O-N 3.08Å; E126-S129 PolarHBondContact O-OG 3.04Å; E127-S129 VanDerWaalsContact C-N 3.29Å; E127-S129 PolarHBondContact O-N 3.42Å; S129-R132 WeakPolarHBondContact O-CB 3Å
130M77.3Confident73.3Confident144 Ų14488.8 Ų88.871%0.70942%0.42SS*.Hα-helixtrans-74.6-39.3176.2-69.2-169.7-75.900112.1E126 E127 Y128 R132E126-M130 PolarHBondContact O-N 3.37Å; E127-M130 PolarHBondContact O-N 3.23Å; E127-M130 VanDerWaalsContact O-N 3.17Å; Y128-M130 VanDerWaalsContact C-N 3.34Å; M130-R132 PolarHBondContact O-N 2.91Å
131L72.6Confident72.8Confident32 Ų3288.7 Ų88.717%0.16842%0.422CS..G310 helixtrans-78.31.1178-65.3175.1000113.3E127 Y128 D133 Q134 N137 V139E127-L131 HydrophobicContact CG-CD1 3.85Å; E127-L131 HydrophobicContact CG-CG 4.32Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 WeakPolarHBondContact O-CG 3.5Å; E127-L131 PolarHBondContact O-N 3.41Å; Y128-L131 PolarHBondContact O-N 2.92Å; L131-D133 PolarHBondContact O-N 3.36Å; L131-D133 VanDerWaalsContact O-N 3.12Å; L131-Q134 HydrophobicContact CD2-CB 4.37Å; L131-Q134 CarbonylContact O-C 3.08Å; L131-Q134 WeakPolarHBondContact O-CA 3.26Å; L131-Q134 PolarHBondContact O-N 3.04Å; L131-N137 HydrophobicContact CD1-CB 4.07Å; L131-N137 WeakPolarHBondContact CD1-O 3.36Å; L131-V139 HydrophobicContact CD1-CG2 3.88Å
132R62.3Low72.5Confident122 Ų12288.6 Ų88.646%0.4642%0.422SS..G310 helixtrans-52.7-35177.7-168.2-178.9-167.5-166.12.1113Y128 S129 M130 E162 S163Y128-R132 PolarHBondContact O-N 3.48Å; S129-R132 WeakPolarHBondContact O-CB 3Å; M130-R132 PolarHBondContact O-N 2.91Å; R132-E162 IonicContact CZ-OE2 2.81Å; R132-E162 VanDerWaalsContact CZ-OE2 3.24Å; R132-E162 IonicContact NH1-OE2 2.8Å; R132-E162 PolarHBondContact NH1-OE2 3.46Å; R132-E162 IonicContact NH2-OE2 3.96Å; R132-E162 PolarHBondContact NH2-OE2 3.02Å; R132-S163 PolarHBondContact NE-OG 3.38Å
133D57.9Low72.2Confident166 Ų16685.4 Ų85.489%0.88841%0.412SS*.G310 helixtrans-79.7-20.2175.2-81.4-8.1000113.1L131L131-D133 PolarHBondContact O-N 3.36Å; L131-D133 VanDerWaalsContact O-N 3.12Å
134Q54.3Low71.9Confident125 Ų12581.8 Ų81.858%0.58440%0.397SS*.  trans-114.967.4-176.5-151.9171.81300109.5L131 E136 N137L131-Q134 HydrophobicContact CD2-CB 4.37Å; L131-Q134 CarbonylContact O-C 3.08Å; L131-Q134 WeakPolarHBondContact O-CA 3.26Å; L131-Q134 PolarHBondContact O-N 3.04Å; Q134-E136 PolarHBondContact O-N 3.36Å; Q134-N137 PolarHBondContact O-N 3.46Å
135R51.4Low72Confident240 Ų24082.9 Ų82.991%0.90640%0.402SS*.THydrogen-bonded Turntrans-49.9-2.7-174.8-76.6-172.3179.8-167.8-0.1117.4
136E48.1Very low72.2Confident173 Ų17382 Ų8281%0.80840%0.397SS*.THydrogen-bonded Turntrans-106.5-5.9-167.6-145.4159.8-153.800114.4Q134 P138Q134-E136 PolarHBondContact O-N 3.36Å; E136-P138 WeakPolarHBondContact O-CD 3.37Å
137N49.1Very low72.3Confident103 Ų10380.1 Ų80.155%0.55139%0.385SS*.  trans-11097170.9-80.4-25.2000110.2L131 Q134 V139L131-N137 HydrophobicContact CD1-CB 4.07Å; L131-N137 WeakPolarHBondContact CD1-O 3.36Å; Q134-N137 PolarHBondContact O-N 3.46Å; N137-V139 PolarHBondContact O-N 3.04Å
138P54.6Low72.5Confident64 Ų6482.2 Ų82.242%0.41640%0.396SS..  trans-55.113716423.9-31.9000108.2E136 P140E136-P138 WeakPolarHBondContact O-CD 3.37Å; P138-P140 WeakPolarHBondContact O-CD 3.1Å
139V64.5Low73.1Confident2 Ų280.6 Ų80.61%0.01239%0.391CS..  trans-73.395.6167.4-177.40000106E127 Y128 L131 N137 F141 M142 D143E127-V139 HydrophobicContact CB-CG1 4.37Å; E127-V139 HydrophobicContact CB-CG2 3.91Å; E127-V139 HydrophobicContact CG-CG1 4.49Å; E127-V139 HydrophobicContact CG-CG2 3.78Å; E127-V139 WeakPolarHBondContact OE2-CG1 3.49Å; Y128-V139 HydrophobicContact CD2-CG2 4.4Å; L131-V139 HydrophobicContact CD1-CG2 3.88Å; N137-V139 PolarHBondContact O-N 3.04Å; V139-F141 PolarHBondContact O-N 3.25Å; V139-F141 VanDerWaalsContact O-N 3.09Å; V139-M142 HydrophobicContact CG1-CB 4.41Å; V139-M142 PolarHBondContact O-N 2.83Å; V139-M142 VanDerWaalsContact O-N 3.12Å; V139-D143 PolarHBondContact O-N 3.23Å
140P71.5Confident73.8Confident46 Ų4683.5 Ų83.530%0.29939%0.391SS..Hα-helixtrans-69.8-25.4-156.729.6-32.6000111.8H50 P138 S144H50-P140 HydrophobicContact CB-CB 3.62Å; H50-P140 HydrophobicContact CB-CG 4.43Å; H50-P140 WeakPolarHBondContact CD2-CB 3.27Å; P138-P140 WeakPolarHBondContact O-CD 3.1Å; P140-S144 WeakPolarHBondContact O-CB 3.43Å; P140-S144 PolarHBondContact O-N 2.9Å; P140-S144 PolarHBondContact O-OG 3.38Å
141F81.2Confident74.7Confident96 Ų9676.7 Ų76.742%0.42136%0.357SS..Hα-helixtrans-63.1-50.4175.7177.5-108.1000112.3R120 V139 S144 I145R120-F141 HydrophobicContact CB-CE1 4.26Å; R120-F141 HydrophobicContact CB-CZ 4.35Å; V139-F141 PolarHBondContact O-N 3.25Å; V139-F141 VanDerWaalsContact O-N 3.09Å; F141-S144 WeakPolarHBondContact O-CB 3.41Å; F141-S144 PolarHBondContact O-N 3.4Å; F141-I145 HydrophobicContact CD1-CD1 4.12Å; F141-I145 HydrophobicContact CD2-CD1 4.27Å; F141-I145 HydrophobicContact CE1-CD1 3.53Å; F141-I145 HydrophobicContact CE2-CD1 3.69Å; F141-I145 HydrophobicContact CG-CD1 4.47Å; F141-I145 HydrophobicContact CZ-CD1 3.29Å; F141-I145 PolarHBondContact O-N 3.39Å; F141-I145 VanDerWaalsContact O-N 3.16Å
142M86.9Confident75.8Confident1 Ų175.1 Ų75.11%0.00535%0.349CS..Hα-helixtrans-72.1-42.7-173.9-17054.96600111.7M121 I125 V139 S144 I145 Q146 Y160M121-M142 VanDerWaalsContact CA-CE 3.42Å; M121-M142 HydrophobicContact CB-CE 3.77Å; M121-M142 HydrophobicContact CG-CE 4.17Å; M121-M142 WeakPolarHBondContact O-CE 3.43Å; I125-M142 HydrophobicContact CG1-CE 3.99Å; V139-M142 HydrophobicContact CG1-CB 4.41Å; V139-M142 PolarHBondContact O-N 2.83Å; V139-M142 VanDerWaalsContact O-N 3.12Å; M142-S144 PolarHBondContact O-N 3.17Å; M142-I145 PolarHBondContact O-N 3.4Å; M142-Q146 HydrophobicContact CG-CG 4.27Å; M142-Q146 WeakPolarHBondContact O-CB 3.48Å; M142-Q146 VanDerWaalsContact O-CG 3.23Å; M142-Q146 WeakPolarHBondContact O-CG 3.36Å; M142-Q146 PolarHBondContact O-N 2.84Å; M142-Q146 HydrophobicContact SD-CG 4.17Å; M142-Y160 WeakPolarHBondContact CG-OH 3.38Å
143D86.9Confident77.4Confident20 Ų2069.3 Ų69.311%0.10733%0.327CS..Hα-helixtrans-58.1-36.9175.9-78-6.3000112.1V139 R147 A167V139-D143 PolarHBondContact O-N 3.23Å; D143-R147 WeakPolarHBondContact O-CB 3.42Å; D143-R147 WeakPolarHBondContact O-CD 3.33Å; D143-R147 VanDerWaalsContact O-CG 3.24Å; D143-R147 WeakPolarHBondContact O-CG 3.48Å; D143-R147 PolarHBondContact O-N 2.84Å; D143-R147 VanDerWaalsContact O-N 3.12Å; D143-A167 HydrophobicContact CB-CB 3.69Å; D143-A167 WeakPolarHBondContact OD1-CB 3.39Å
144S85Confident79.2Confident19 Ų1961.5 Ų61.513%0.13329%0.285CS..Hα-helixtrans-67.1-46.5177.7-61.20000112.2A51 P140 F141 M142 M148A51-S144 VanDerWaalsContact CB-OG 3.3Å; A51-S144 WeakPolarHBondContact CB-OG 3.41Å; P140-S144 WeakPolarHBondContact O-CB 3.43Å; P140-S144 PolarHBondContact O-N 2.9Å; P140-S144 PolarHBondContact O-OG 3.38Å; F141-S144 WeakPolarHBondContact O-CB 3.41Å; F141-S144 PolarHBondContact O-N 3.4Å; M142-S144 PolarHBondContact O-N 3.17Å; S144-M148 WeakPolarHBondContact O-CB 3.39Å; S144-M148 PolarHBondContact O-N 2.86Å
145I90Very high81.2Confident28 Ų2859.4 Ų59.414%0.14428%0.278CS..Hα-helixtrans-62.2-46.5178.1-71.3177.7000110.5M121 F141 M142 R147 M148 L149 C191M121-I145 HydrophobicContact CE-CD1 4.11Å; M121-I145 HydrophobicContact CE-CG2 4.07Å; M121-I145 HydrophobicContact CG-CD1 4.33Å; F141-I145 HydrophobicContact CD1-CD1 4.12Å; F141-I145 HydrophobicContact CD2-CD1 4.27Å; F141-I145 HydrophobicContact CE1-CD1 3.53Å; F141-I145 HydrophobicContact CE2-CD1 3.69Å; F141-I145 HydrophobicContact CG-CD1 4.47Å; F141-I145 HydrophobicContact CZ-CD1 3.29Å; F141-I145 PolarHBondContact O-N 3.39Å; F141-I145 VanDerWaalsContact O-N 3.16Å; M142-I145 PolarHBondContact O-N 3.4Å; I145-R147 PolarHBondContact O-N 3.4Å; I145-M148 PolarHBondContact O-N 3.26Å; I145-L149 HydrophobicContact CG2-CD1 3.9Å; I145-L149 HydrophobicContact CG2-CG 4.46Å; I145-L149 WeakPolarHBondContact O-CB 3.28Å; I145-L149 PolarHBondContact O-N 2.89Å; I145-C191 HydrophobicContact CG2-CB 3.93Å
146Q92.4Very high83.3Confident0 Ų048.1 Ų48.10%024%0.237CC..Hα-helixtrans-62.3-44.4-177-69.4-178.914400112M142 R150 C151 Y160 A167 C168M142-Q146 HydrophobicContact CG-CG 4.27Å; M142-Q146 WeakPolarHBondContact O-CB 3.48Å; M142-Q146 VanDerWaalsContact O-CG 3.23Å; M142-Q146 WeakPolarHBondContact O-CG 3.36Å; M142-Q146 PolarHBondContact O-N 2.84Å; M142-Q146 HydrophobicContact SD-CG 4.17Å; Q146-R150 WeakPolarHBondContact O-CA 3.21Å; Q146-R150 PolarHBondContact O-N 3.31Å; Q146-C151 WeakPolarHBondContact CA-O 3.32Å; Q146-C151 VanDerWaalsContact CB-O 3.3Å; Q146-C151 WeakPolarHBondContact CB-O 3.26Å; Q146-C151 WeakPolarHBondContact CG-O 3.32Å; Q146-C151 PolarHBondContact O-N 2.94Å; Q146-Y160 VanDerWaalsContact OE1-CE2 3.23Å; Q146-Y160 PolarHBondContact OE1-OH 3.39Å; Q146-A167 HydrophobicContact CB-CB 4.26Å; Q146-C168 PolarHBondContact OE1-SG 3.36Å
147R88.8Confident85.5Confident79 Ų7942.2 Ų42.230%0.29821%0.207SC..Hα-helixtrans-68.6-41.1176.1-68.3170.7-178.7-1454.6112.5S46 D143 I145 A167S46-R147 PolarHBondContact O-NH1 2.85Å; D143-R147 WeakPolarHBondContact O-CB 3.42Å; D143-R147 WeakPolarHBondContact O-CD 3.33Å; D143-R147 VanDerWaalsContact O-CG 3.24Å; D143-R147 WeakPolarHBondContact O-CG 3.48Å; D143-R147 PolarHBondContact O-N 2.84Å; D143-R147 VanDerWaalsContact O-N 3.12Å; I145-R147 PolarHBondContact O-N 3.4Å; R147-A167 HydrophobicContact CG-CB 4.02Å
148M88.3Confident87.6Confident134 Ų13442.6 Ų42.666%0.6621%0.205SC*.Hα-helixtrans-70.1-43.4-176.9-175.5-177.1-68.400112.2S144 I145S144-M148 WeakPolarHBondContact O-CB 3.39Å; S144-M148 PolarHBondContact O-N 2.86Å; I145-M148 PolarHBondContact O-N 3.26Å
149L93Very high89.4Confident24 Ų2441.9 Ų41.913%0.12620%0.198CC..Hα-helixtrans-94.2-5.9-176.9-62.3-176.2000113.6I145 C151 K194 Y195 M198I145-L149 HydrophobicContact CG2-CD1 3.9Å; I145-L149 HydrophobicContact CG2-CG 4.46Å; I145-L149 WeakPolarHBondContact O-CB 3.28Å; I145-L149 PolarHBondContact O-N 2.89Å; L149-C151 HydrophobicContact CB-CB 4.41Å; L149-C151 VanDerWaalsContact CB-SG 3.59Å; L149-K194 HydrophobicContact CB-CB 4.37Å; L149-Y195 HydrophobicContact CD1-CD2 4.19Å; L149-M198 HydrophobicContact CD2-SD 3.29Å; L149-M198 WeakPolarHBondContact CD2-SD 3.13Å
150R94.2Very high90.6Very high136 Ų13642.5 Ų42.551%0.51320%0.2SC..THydrogen-bonded Turntrans51.559.5-174.8-61.2-175.4-178.8-170.6-3.9111Q146 H172 Y187 K194Q146-R150 WeakPolarHBondContact O-CA 3.21Å; Q146-R150 PolarHBondContact O-N 3.31Å; R150-H172 PolarHBondContact NH1-NE2 2.93Å; R150-Y187 VanDerWaalsContact C-CG 3.46Å; R150-Y187 HydrophobicContact CB-CD1 4Å; R150-Y187 HydrophobicContact CB-CD2 4.47Å; R150-Y187 HydrophobicContact CB-CE1 3.67Å; R150-Y187 HydrophobicContact CB-CE2 4.19Å; R150-Y187 HydrophobicContact CB-CG 4.4Å; R150-Y187 HydrophobicContact CG-CE1 4.12Å; R150-K194 WeakPolarHBondContact O-CE 3.27Å
151C96.4Very high91.3Very high0 Ų051 Ų510%023%0.226CC..  trans-137.1164.8-176.560.40000109.8Q146 L149 E189 C191 K194Q146-C151 WeakPolarHBondContact CA-O 3.32Å; Q146-C151 VanDerWaalsContact CB-O 3.3Å; Q146-C151 WeakPolarHBondContact CB-O 3.26Å; Q146-C151 WeakPolarHBondContact CG-O 3.32Å; Q146-C151 PolarHBondContact O-N 2.94Å; L149-C151 HydrophobicContact CB-CB 4.41Å; L149-C151 VanDerWaalsContact CB-SG 3.59Å; C151-E189 VanDerWaalsContact CA-O 3.29Å; C151-E189 WeakPolarHBondContact CA-O 3.42Å; C151-E189 WeakPolarHBondContact CB-O 3.24Å; C151-C191 HydrophobicContact CB-CB 3.87Å; C151-C191 WeakPolarHBondContact CB-SG 3.3Å; C151-C191 WeakPolarHBondContact SG-CA 3.46Å; C151-C191 WeakPolarHBondContact SG-CB 3.44Å; C151-C191 CovalentContact SG-SG 2.03Å; C151-C191 PolarHBondContact SG-SG 3.12Å; C151-K194 HydrophobicContact CB-CB 4.19Å; C151-K194 HydrophobicContact CB-CG 3.93Å
152C95.2Very high91.1Very high0 Ų053 Ų530%024%0.237CC..  trans-136.1130.1174.1-169.40000111.2G156 Y157 C168 Y187 E189C152-G156 CarbonylContact O-C 3.58Å; C152-G156 VanDerWaalsContact O-CA 3.27Å; C152-G156 WeakPolarHBondContact O-CA 3.47Å; C152-Y157 PolarHBondContact O-N 2.78Å; C152-Y157 VanDerWaalsContact SG-CB 3.53Å; C152-C168 WeakPolarHBondContact CA-SG 3.18Å; C152-C168 HydrophobicContact CB-CB 3.59Å; C152-C168 WeakPolarHBondContact CB-SG 3.49Å; C152-C168 WeakPolarHBondContact SG-CB 3.34Å; C152-C168 CovalentContact SG-SG 2.04Å; C152-C168 PolarHBondContact SG-SG 2.88Å; C152-Y187 VanDerWaalsContact CB-O 3.27Å; C152-Y187 WeakPolarHBondContact CB-O 3.16Å; C152-E189 PolarHBondContact N-O 3.48Å
153G95Very high91Very high0 Ų054.5 Ų54.50%025%0.248CC..SBendtrans64.5-177.6-176.900000113.4G156 C191G153-G156 WeakPolarHBondContact CA-O 3.31Å; G153-C191 WeakPolarHBondContact O-CB 3.36Å; G153-C191 PolarHBondContact O-N 3.31Å; G153-C191 PolarHBondContact O-SG 2.94Å
154V96.2Very high91.1Very high1 Ų154.2 Ų54.21%0.00625%0.246CC..SBendtrans-76.1-55-179.7176.30000109.5D118 M121 R122 I125 D159 G190 C191 K192D118-V154 WeakPolarHBondContact OD1-CG1 3.29Å; M121-V154 HydrophobicContact CB-CG2 3.52Å; R122-V154 HydrophobicContact CG-CG2 3.85Å; I125-V154 HydrophobicContact CD1-CB 4.29Å; I125-V154 HydrophobicContact CD1-CG2 3.51Å; I125-V154 HydrophobicContact CG1-CG2 4.38Å; V154-D159 WeakPolarHBondContact CA-OD2 3.4Å; V154-D159 WeakPolarHBondContact CB-OD2 3.28Å; V154-D159 PolarHBondContact N-OD2 2.85Å; V154-G190 CarbonylContact O-C 3.03Å; V154-G190 WeakPolarHBondContact O-CA 3.21Å; V154-C191 PolarHBondContact O-N 3.27Å; V154-K192 HydrophobicContact CG1-CB 4.11Å; V154-K192 HydrophobicContact CG1-CD 4.32Å; V154-K192 WeakPolarHBondContact O-CB 3.32Å; V154-K192 PolarHBondContact O-N 3.03Å
155N96.4Very high91.2Very high82 Ų8253.4 Ų53.444%0.43924%0.241SC..SBendtrans-102.3-21.1-179.7-63-50.1000112.2R122 D159R122-N155 PolarHBondContact NH2-ND2 3.47Å; R122-N155 VanDerWaalsContact NH2-ND2 3.11Å; N155-D159 PolarHBondContact N-OD2 3.47Å
156G96.1Very high91.1Very high3 Ų355.9 Ų55.93%0.03125%0.253CS..  trans169.4173.7-179.300000111.4C152 G153 E158 D159C152-G156 CarbonylContact O-C 3.58Å; C152-G156 VanDerWaalsContact O-CA 3.27Å; C152-G156 WeakPolarHBondContact O-CA 3.47Å; G153-G156 WeakPolarHBondContact CA-O 3.31Å; G156-E158 PolarHBondContact O-N 2.87Å; G156-D159 WeakPolarHBondContact O-CB 3.43Å; G156-D159 PolarHBondContact O-N 3.05Å
157Y93.5Very high90.9Very high49 Ų4956 Ų5619%0.19226%0.255CS..G310 helixtrans-63.7-21.9-177.968-86.8000112.9C152 D159 Y160 I164 P183 V186 K188C152-Y157 PolarHBondContact O-N 2.78Å; C152-Y157 VanDerWaalsContact SG-CB 3.53Å; Y157-D159 PolarHBondContact O-N 3.31Å; Y157-Y160 PolarHBondContact O-N 3.39Å; Y157-I164 HydrophobicContact CD2-CD1 3.8Å; Y157-I164 HydrophobicContact CG-CD1 4.44Å; Y157-P183 HydrophobicContact CD2-CB 4.46Å; Y157-P183 HydrophobicContact CE2-CB 3.74Å; Y157-P183 HydrophobicContact CE2-CG 4.08Å; Y157-V186 HydrophobicContact CD1-CG2 4.27Å; Y157-V186 HydrophobicContact CD2-CG2 4.36Å; Y157-V186 HydrophobicContact CG-CG2 3.9Å; Y157-K188 HydrophobicContact CD1-CD 4.26Å; Y157-K188 HydrophobicContact CE1-CD 4.06Å
158E93.6Very high91.1Very high110 Ų11052.3 Ų52.351%0.51424%0.24SC..G310 helixtrans-63.1-19.5177.3-61.588168.700113.2G156 Y160 R161G156-E158 PolarHBondContact O-N 2.87Å; E158-Y160 PolarHBondContact O-N 2.98Å; E158-R161 PolarHBondContact O-N 3.36Å
159D93.2Very high91.3Very high49 Ų4946 Ų4626%0.26221%0.21SC..G310 helixtrans-59.5-28.1177.1-71-27.3000112I125 V154 N155 G156 Y157I125-D159 HydrophobicContact CD1-CB 3.69Å; V154-D159 WeakPolarHBondContact CA-OD2 3.4Å; V154-D159 WeakPolarHBondContact CB-OD2 3.28Å; V154-D159 PolarHBondContact N-OD2 2.85Å; N155-D159 PolarHBondContact N-OD2 3.47Å; G156-D159 WeakPolarHBondContact O-CB 3.43Å; G156-D159 PolarHBondContact O-N 3.05Å; Y157-D159 PolarHBondContact O-N 3.31Å
160Y89.7Confident91.4Very high15 Ų1546.5 Ų46.56%0.05921%0.212CC..G310 helixtrans-83.6-12176.6-71-72.3000114.8I125 Y128 M142 Q146 Y157 E158 E162 P165I125-Y160 HydrophobicContact CB-CE1 4.4Å; I125-Y160 HydrophobicContact CG1-CE1 4.13Å; I125-Y160 HydrophobicContact CG2-CD1 4.09Å; I125-Y160 HydrophobicContact CG2-CE1 4Å; Y128-Y160 AromaticContact CD1-CD1 3.73Å; Y128-Y160 HydrophobicContact CD1-CD1 3.73Å; Y128-Y160 AromaticContact CD1-CE1 3.79Å; Y128-Y160 HydrophobicContact CD1-CE1 3.79Å; Y128-Y160 HydrophobicContact CE1-CD1 4.16Å; Y128-Y160 HydrophobicContact CE1-CE1 4.39Å; Y128-Y160 HydrophobicContact CG-CD1 4.3Å; Y128-Y160 AromaticContact CG-CE1 3.88Å; Y128-Y160 HydrophobicContact CG-CE1 3.88Å; M142-Y160 WeakPolarHBondContact CG-OH 3.38Å; Q146-Y160 VanDerWaalsContact OE1-CE2 3.23Å; Q146-Y160 PolarHBondContact OE1-OH 3.39Å; Y157-Y160 PolarHBondContact O-N 3.39Å; E158-Y160 PolarHBondContact O-N 2.98Å; Y160-E162 PolarHBondContact O-N 2.72Å; Y160-P165 HydrophobicContact CD1-CG 4Å; Y160-P165 HydrophobicContact CD2-CG 4.28Å; Y160-P165 HydrophobicContact CE1-CG 3.53Å; Y160-P165 HydrophobicContact CE2-CG 3.83Å; Y160-P165 HydrophobicContact CG-CG 4.34Å; Y160-P165 VanDerWaalsContact CZ-CG 3.43Å
161R84.7Confident91.2Very high224 Ų22446.5 Ų46.585%0.84522%0.218SC*.THydrogen-bonded Turntrans57.7-83.7-176.5-52.5178-175.9174.12.1113.6E158E158-R161 PolarHBondContact O-N 3.36Å
162E78.6Confident90.9Very high139 Ų13953.4 Ų53.465%0.6525%0.25SC*.THydrogen-bonded Turntrans-104.5-27.4-166.2-66.4-178.4177.500114.5R132 Y160R132-E162 IonicContact CZ-OE2 2.81Å; R132-E162 VanDerWaalsContact CZ-OE2 3.24Å; R132-E162 IonicContact NH1-OE2 2.8Å; R132-E162 PolarHBondContact NH1-OE2 3.46Å; R132-E162 IonicContact NH2-OE2 3.96Å; R132-E162 PolarHBondContact NH2-OE2 3.02Å; Y160-E162 PolarHBondContact O-N 2.72Å
163S83.6Confident90.7Very high33 Ų3358 Ų5823%0.23128%0.278CS..  trans-131.391.8-174.450.90000110.3Y128 R132Y128-S163 VanDerWaalsContact CE1-O 3.27Å; Y128-S163 WeakPolarHBondContact CE1-O 3.35Å; R132-S163 PolarHBondContact NE-OG 3.38Å
164I89.2Confident90.4Very high14 Ų1458.7 Ų58.77%0.07228%0.283CS..  trans-76.5131.4178.8-54.9167.6000109.1Y157 C168 V186Y157-I164 HydrophobicContact CD2-CD1 3.8Å; Y157-I164 HydrophobicContact CG-CD1 4.44Å; I164-C168 HydrophobicContact CG2-CB 3.58Å; I164-V186 HydrophobicContact CD1-CG1 4.32Å; I164-V186 HydrophobicContact CD1-CG2 4.3Å; I164-V186 HydrophobicContact CG2-CG1 3.85Å
165P88.1Confident90Very high2 Ų264.2 Ų64.21%0.01332%0.317CS..  trans-62.5146.6177.7-17.826.9000112.5Y128 Y160 A167 C168Y128-P165 HydrophobicContact CD1-CG 4.47Å; Y128-P165 HydrophobicContact CD2-CG 4.14Å; Y128-P165 HydrophobicContact CE1-CG 4.06Å; Y128-P165 HydrophobicContact CE2-CB 3.92Å; Y128-P165 HydrophobicContact CE2-CG 3.69Å; Y128-P165 WeakPolarHBondContact OH-CA 3.41Å; Y160-P165 HydrophobicContact CD1-CG 4Å; Y160-P165 HydrophobicContact CD2-CG 4.28Å; Y160-P165 HydrophobicContact CE1-CG 3.53Å; Y160-P165 HydrophobicContact CE2-CG 3.83Å; Y160-P165 HydrophobicContact CG-CG 4.34Å; Y160-P165 VanDerWaalsContact CZ-CG 3.43Å; P165-A167 HydrophobicContact CB-CB 4.43Å; P165-A167 PolarHBondContact O-N 2.96Å; P165-A167 VanDerWaalsContact O-N 3.11Å; P165-C168 VanDerWaalsContact O-CB 3.31Å; P165-C168 WeakPolarHBondContact O-CB 3.45Å; P165-C168 PolarHBondContact O-N 2.85Å
166I88Confident89.5Confident79 Ų7961.3 Ų61.341%0.40530%0.302SS..G310 helixtrans-58.8-25.5172.4-61.3168.5000111.1C168 C169 C176 L181I166-C168 PolarHBondContact O-N 3.47Å; I166-C169 WeakPolarHBondContact O-CB 3.45Å; I166-C169 PolarHBondContact O-N 3.43Å; I166-C176 HydrophobicContact CG2-CB 4.5Å; I166-L181 HydrophobicContact CB-CD1 4.41Å; I166-L181 HydrophobicContact CG1-CD1 3.86Å
167A87.5Confident88.8Confident4 Ų468.3 Ų68.33%0.03334%0.339CS..G310 helixtrans-62.7-19.217400000114.5D143 Q146 R147 P165 C169D143-A167 HydrophobicContact CB-CB 3.69Å; D143-A167 WeakPolarHBondContact OD1-CB 3.39Å; Q146-A167 HydrophobicContact CB-CB 4.26Å; R147-A167 HydrophobicContact CG-CB 4.02Å; P165-A167 HydrophobicContact CB-CB 4.43Å; P165-A167 PolarHBondContact O-N 2.96Å; P165-A167 VanDerWaalsContact O-N 3.11Å; A167-C169 VanDerWaalsContact C-N 3.29Å
168C92.5Very high88.1Confident0 Ų070.8 Ų70.80%036%0.355CS..G310 helixtrans-81.1-6171.8-72.50000114Q146 C152 I164 P165 I166 D170 V186 Y187Q146-C168 PolarHBondContact OE1-SG 3.36Å; C152-C168 WeakPolarHBondContact CA-SG 3.18Å; C152-C168 HydrophobicContact CB-CB 3.59Å; C152-C168 WeakPolarHBondContact CB-SG 3.49Å; C152-C168 WeakPolarHBondContact SG-CB 3.34Å; C152-C168 CovalentContact SG-SG 2.04Å; C152-C168 PolarHBondContact SG-SG 2.88Å; I164-C168 HydrophobicContact CG2-CB 3.58Å; P165-C168 VanDerWaalsContact O-CB 3.31Å; P165-C168 WeakPolarHBondContact O-CB 3.45Å; P165-C168 PolarHBondContact O-N 2.85Å; I166-C168 PolarHBondContact O-N 3.47Å; C168-D170 PolarHBondContact O-N 3.48Å; C168-V186 HydrophobicContact CB-CB 4.22Å; C168-V186 HydrophobicContact CB-CG1 4.14Å; C168-V186 VanDerWaalsContact O-CA 3.29Å; C168-V186 WeakPolarHBondContact O-CA 3.28Å; C168-V186 WeakPolarHBondContact O-CB 3.4Å; C168-Y187 WeakPolarHBondContact O-CD2 3.4Å; C168-Y187 PolarHBondContact O-N 3.44Å
169C92.7Very high87.3Confident3 Ų369.2 Ų69.22%0.0236%0.361CS..BIsolated β-bridgetrans-64.4131-173.4-165.40000112.5I166 A167 S174 C176 L181 Y187I166-C169 WeakPolarHBondContact O-CB 3.45Å; I166-C169 PolarHBondContact O-N 3.43Å; A167-C169 VanDerWaalsContact C-N 3.29Å; C169-S174 PolarHBondContact SG-OG 2.99Å; C169-C176 HydrophobicContact CB-CB 3.67Å; C169-C176 WeakPolarHBondContact CB-SG 3.24Å; C169-C176 WeakPolarHBondContact SG-CA 3.37Å; C169-C176 WeakPolarHBondContact SG-CB 3.05Å; C169-C176 CovalentContact SG-SG 2.01Å; C169-C176 PolarHBondContact SG-SG 2.95Å; C169-L181 HydrophobicContact CB-CD2 3.55Å; C169-Y187 VanDerWaalsContact O-CE2 3.24Å; C169-Y187 WeakPolarHBondContact O-CE2 3.33Å; C169-Y187 VanDerWaalsContact O-CZ 3.27Å; C169-Y187 PolarHBondContact O-OH 3.15Å
170D94.2Very high86.8Confident33 Ų3374 Ų7418%0.17639%0.386CS..  trans-89.3104.9170.6-167.6-12.9000110.5C168 H172 V173 S174 E185 Y187C168-D170 PolarHBondContact O-N 3.48Å; D170-H172 PolarHBondContact O-N 3.28Å; D170-H172 VanDerWaalsContact O-N 3.12Å; D170-H172 VanDerWaalsContact OD1-CB 3.28Å; D170-H172 WeakPolarHBondContact OD1-CB 2.95Å; D170-H172 IonicContact OD1-CD2 3.62Å; D170-H172 PolarHBondContact OD1-CD2 3Å; D170-H172 VanDerWaalsContact OD1-CD2 3.25Å; D170-H172 IonicContact OD1-CG 2.8Å; D170-H172 PolarHBondContact OD1-N 3.44Å; D170-V173 PolarHBondContact O-N 2.63Å; D170-S174 PolarHBondContact O-N 3.14Å; D170-E185 PolarHBondContact N-O 3.29Å; D170-Y187 HydrophobicContact CB-CD1 3.92Å; D170-Y187 HydrophobicContact CB-CE1 3.76Å
171H90.5Very high86.6Confident137 Ų13774.2 Ų74.263%0.63439%0.388SS*.THydrogen-bonded Turntrans-62.5-14.1176.9-80.1-75.3000114.1V173 C176H171-V173 VanDerWaalsContact C-N 3.31Å; H171-C176 VanDerWaalsContact CE1-SG 3.52Å
172H91Very high86.8Confident144 Ų14465.7 Ų65.767%0.66736%0.362SS*.THydrogen-bonded Turntrans-76.3-21.7174-64.5-65.9000112.7R150 D170R150-H172 PolarHBondContact NH1-NE2 2.93Å; D170-H172 PolarHBondContact O-N 3.28Å; D170-H172 VanDerWaalsContact O-N 3.12Å; D170-H172 VanDerWaalsContact OD1-CB 3.28Å; D170-H172 WeakPolarHBondContact OD1-CB 2.95Å; D170-H172 IonicContact OD1-CD2 3.62Å; D170-H172 PolarHBondContact OD1-CD2 3Å; D170-H172 VanDerWaalsContact OD1-CD2 3.25Å; D170-H172 IonicContact OD1-CG 2.8Å; D170-H172 PolarHBondContact OD1-N 3.44Å
173V90.7Very high87.3Confident96 Ų9662 Ų6258%0.58235%0.351SS*.THydrogen-bonded Turntrans-115.8-27.1-173.6-171.70000112.1D170 H171D170-V173 PolarHBondContact O-N 2.63Å; H171-V173 VanDerWaalsContact C-N 3.31Å
174S88.4Confident87.6Confident15 Ų1567.9 Ų67.911%0.10538%0.375CS..  trans-138.8161.4-178.390.90000113.7C169 D170 C176C169-S174 PolarHBondContact SG-OG 2.99Å; D170-S174 PolarHBondContact O-N 3.14Å; S174-C176 PolarHBondContact O-N 3.17Å; S174-C176 PolarHBondContact OG-N 3.43Å
175T87.3Confident87.7Confident118 Ų11869.4 Ų69.472%0.72438%0.381SS*.  trans-79-7175.5-43.80000112.6L177T175-L177 HydrophobicContact CG2-CB 4.45Å; T175-L177 PolarHBondContact O-N 3.44Å; T175-L177 VanDerWaalsContact O-N 3.1Å
176C85.6Confident88.1Confident20 Ų2069.5 Ų69.514%0.13538%0.382CS..  trans5625.2-179.8-49.20000114.5I166 C169 H171 S174I166-C176 HydrophobicContact CG2-CB 4.5Å; C169-C176 HydrophobicContact CB-CB 3.67Å; C169-C176 WeakPolarHBondContact CB-SG 3.24Å; C169-C176 WeakPolarHBondContact SG-CA 3.37Å; C169-C176 WeakPolarHBondContact SG-CB 3.05Å; C169-C176 CovalentContact SG-SG 2.01Å; C169-C176 PolarHBondContact SG-SG 2.95Å; H171-C176 VanDerWaalsContact CE1-SG 3.52Å; S174-C176 PolarHBondContact O-N 3.17Å; S174-C176 PolarHBondContact OG-N 3.43Å
177L83Confident88.4Confident151 Ų15167 Ų6779%0.79137%0.367SS*.  trans-87.3-19.8-175.8-152.372000112.4T175T175-L177 HydrophobicContact CG2-CB 4.45Å; T175-L177 PolarHBondContact O-N 3.44Å; T175-L177 VanDerWaalsContact O-N 3.1Å
178N79Confident88.7Confident100 Ų10072.1 Ų72.154%0.53539%0.389SS..  trans-92.8136.9-178.3-63.5-33.4000110.5L180 L181N178-L180 VanDerWaalsContact C-N 3.3Å; N178-L181 WeakPolarHBondContact O-CD1 3.3Å
179A74.8Confident88.9Confident78 Ų7877.5 Ų77.565%0.64541%0.414SS*.SBendtrans-73.3-22.8174.800000113.3
180L82.9Confident89.1Confident149 Ų14977.5 Ų77.578%0.7842%0.415SS*.SBendtrans-98.2100.4173.3-85.9141.1000108.3N178N178-L180 VanDerWaalsContact C-N 3.3Å
181L86.4Confident89.2Confident19 Ų1976 Ų7610%0.09941%0.407CS..  trans-84.7133.7175.1-77.580000110I166 C169 N178 V186I166-L181 HydrophobicContact CB-CD1 4.41Å; I166-L181 HydrophobicContact CG1-CD1 3.86Å; C169-L181 HydrophobicContact CB-CD2 3.55Å; N178-L181 WeakPolarHBondContact O-CD1 3.3Å; L181-V186 HydrophobicContact CB-CG1 3.8Å; L181-V186 HydrophobicContact CD2-CG1 3.46Å; L181-V186 VanDerWaalsContact CD2-CG1 3.46Å; L181-V186 HydrophobicContact CG-CG1 4.27Å
182S88.3Confident89.5Confident45 Ų4571.9 Ų71.932%0.31539%0.387SS..  trans-78.4156.3167.667.80000110.5E184 E185S182-E184 PolarHBondContact O-N 3.23Å; S182-E184 VanDerWaalsContact O-N 3.08Å; S182-E185 WeakPolarHBondContact CB-OE2 3.38Å; S182-E185 PolarHBondContact N-OE2 2.83Å; S182-E185 PolarHBondContact O-N 3.29Å; S182-E185 VanDerWaalsContact OG-CD 3.25Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.43Å; S182-E185 PolarHBondContact OG-OE2 2.85Å
183P89.6Confident89.7Confident62 Ų6269 Ų6940%0.40338%0.377SS..G310 helixtrans-54-30175.2-29.236.9000113.3Y157 E185 V186 K188Y157-P183 HydrophobicContact CD2-CB 4.46Å; Y157-P183 HydrophobicContact CE2-CB 3.74Å; Y157-P183 HydrophobicContact CE2-CG 4.08Å; P183-E185 VanDerWaalsContact C-N 3.29Å; P183-E185 PolarHBondContact O-N 2.94Å; P183-V186 VanDerWaalsContact O-CG2 3.24Å; P183-V186 WeakPolarHBondContact O-CG2 3.23Å; P183-K188 VanDerWaalsContact C-NZ 3.35Å; P183-K188 VanDerWaalsContact O-CE 3.25Å; P183-K188 WeakPolarHBondContact O-CE 3.47Å; P183-K188 PolarHBondContact O-NZ 2.63Å
184E90.3Very high89.9Confident157 Ų15767.3 Ų67.373%0.73436%0.361SS*.G310 helixtrans-73.1-20.5-178.2-63.2-178.4-17700113.4S182S182-E184 PolarHBondContact O-N 3.23Å; S182-E184 VanDerWaalsContact O-N 3.08Å
185E91.7Very high90.2Very high46 Ų4669.6 Ų69.622%0.21537%0.368CS..G310 helixtrans-94.51.1-175.4-64.4169.1125.300113.5D170 S182 P183D170-E185 PolarHBondContact N-O 3.29Å; S182-E185 WeakPolarHBondContact CB-OE2 3.38Å; S182-E185 PolarHBondContact N-OE2 2.83Å; S182-E185 PolarHBondContact O-N 3.29Å; S182-E185 VanDerWaalsContact OG-CD 3.25Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.43Å; S182-E185 PolarHBondContact OG-OE2 2.85Å; P183-E185 VanDerWaalsContact C-N 3.29Å; P183-E185 PolarHBondContact O-N 2.94Å
186V95Very high90.6Very high4 Ų468.2 Ų68.22%0.02435%0.352CS..BIsolated β-bridgetrans-116.5156.3-172.2-60.90000113Y157 I164 C168 L181 P183 K188Y157-V186 HydrophobicContact CD1-CG2 4.27Å; Y157-V186 HydrophobicContact CD2-CG2 4.36Å; Y157-V186 HydrophobicContact CG-CG2 3.9Å; I164-V186 HydrophobicContact CD1-CG1 4.32Å; I164-V186 HydrophobicContact CD1-CG2 4.3Å; I164-V186 HydrophobicContact CG2-CG1 3.85Å; C168-V186 HydrophobicContact CB-CB 4.22Å; C168-V186 HydrophobicContact CB-CG1 4.14Å; C168-V186 VanDerWaalsContact O-CA 3.29Å; C168-V186 WeakPolarHBondContact O-CA 3.28Å; C168-V186 WeakPolarHBondContact O-CB 3.4Å; L181-V186 HydrophobicContact CB-CG1 3.8Å; L181-V186 HydrophobicContact CD2-CG1 3.46Å; L181-V186 VanDerWaalsContact CD2-CG1 3.46Å; L181-V186 HydrophobicContact CG-CG1 4.27Å; P183-V186 VanDerWaalsContact O-CG2 3.24Å; P183-V186 WeakPolarHBondContact O-CG2 3.23Å; V186-K188 PolarHBondContact O-N 3.27Å
187Y95.1Very high91Very high25 Ų2571 Ų7110%0.09837%0.368CS..  trans-58130.7169.2-58-58.1000111R150 C152 C168 C169 D170R150-Y187 VanDerWaalsContact C-CG 3.46Å; R150-Y187 HydrophobicContact CB-CD1 4Å; R150-Y187 HydrophobicContact CB-CD2 4.47Å; R150-Y187 HydrophobicContact CB-CE1 3.67Å; R150-Y187 HydrophobicContact CB-CE2 4.19Å; R150-Y187 HydrophobicContact CB-CG 4.4Å; R150-Y187 HydrophobicContact CG-CE1 4.12Å; C152-Y187 VanDerWaalsContact CB-O 3.27Å; C152-Y187 WeakPolarHBondContact CB-O 3.16Å; C168-Y187 WeakPolarHBondContact O-CD2 3.4Å; C168-Y187 PolarHBondContact O-N 3.44Å; C169-Y187 VanDerWaalsContact O-CE2 3.24Å; C169-Y187 WeakPolarHBondContact O-CE2 3.33Å; C169-Y187 VanDerWaalsContact O-CZ 3.27Å; C169-Y187 PolarHBondContact O-OH 3.15Å; D170-Y187 HydrophobicContact CB-CD1 3.92Å; D170-Y187 HydrophobicContact CB-CE1 3.76Å
188K94.2Very high91.5Very high113 Ų11368 Ų6849%0.49135%0.351SS..  trans-85.4-25.6-176.3-60.1-57.1-168.5167.40114.1Y157 P183 V186Y157-K188 HydrophobicContact CD1-CD 4.26Å; Y157-K188 HydrophobicContact CE1-CD 4.06Å; P183-K188 VanDerWaalsContact C-NZ 3.35Å; P183-K188 VanDerWaalsContact O-CE 3.25Å; P183-K188 WeakPolarHBondContact O-CE 3.47Å; P183-K188 PolarHBondContact O-NZ 2.63Å; V186-K188 PolarHBondContact O-N 3.27Å
189E95.7Very high92.2Very high112 Ų11266 Ų6652%0.52334%0.34SS..SBendtrans-88.1137.5-175.4-66.1177.3110.700111.2C151 C152 K194C151-E189 VanDerWaalsContact CA-O 3.29Å; C151-E189 WeakPolarHBondContact CA-O 3.42Å; C151-E189 WeakPolarHBondContact CB-O 3.24Å; C152-E189 PolarHBondContact N-O 3.48Å; E189-K194 HydrophobicContact CB-CD 4.4Å; E189-K194 HydrophobicContact CB-CG 4.02Å; E189-K194 WeakPolarHBondContact OE2-CE 2.95Å; E189-K194 IonicContact OE2-NZ 3.74Å; E189-K194 PolarHBondContact OE2-NZ 3.38Å
190G96.7Very high93.1Very high4 Ų470.2 Ų70.24%0.04134%0.344CS..  trans-68.4146.2173.500000113V154 K192 D193 K194V154-G190 CarbonylContact O-C 3.03Å; V154-G190 WeakPolarHBondContact O-CA 3.21Å; G190-K192 VanDerWaalsContact C-N 3.26Å; G190-K192 PolarHBondContact O-N 3.12Å; G190-D193 PolarHBondContact O-N 2.92Å; G190-K194 PolarHBondContact O-N 2.58Å
191C96.6Very high93.6Very high0 Ų068.2 Ų68.20%033%0.334CS..Hα-helixtrans-64.5-29.1-178.3-64.90000113.4M121 I145 C151 G153 V154 Y195M121-C191 HydrophobicContact CE-CB 4.27Å; M121-C191 HydrophobicContact SD-CB 3.99Å; I145-C191 HydrophobicContact CG2-CB 3.93Å; C151-C191 HydrophobicContact CB-CB 3.87Å; C151-C191 WeakPolarHBondContact CB-SG 3.3Å; C151-C191 WeakPolarHBondContact SG-CA 3.46Å; C151-C191 WeakPolarHBondContact SG-CB 3.44Å; C151-C191 CovalentContact SG-SG 2.03Å; C151-C191 PolarHBondContact SG-SG 3.12Å; G153-C191 WeakPolarHBondContact O-CB 3.36Å; G153-C191 PolarHBondContact O-N 3.31Å; G153-C191 PolarHBondContact O-SG 2.94Å; V154-C191 PolarHBondContact O-N 3.27Å; C191-Y195 WeakPolarHBondContact O-CB 3.24Å; C191-Y195 PolarHBondContact O-N 3.03Å
192K96.3Very high94Very high51 Ų5172.3 Ų72.322%0.22235%0.351CS..Hα-helixtrans-60.4-47.3176.9177.1177.5174.6171.70112.3D118 V154 G190 K196D118-K192 VanDerWaalsContact OD2-CE 3.28Å; D118-K192 WeakPolarHBondContact OD2-CE 3.41Å; D118-K192 IonicContact OD2-NZ 2.74Å; D118-K192 PolarHBondContact OD2-NZ 3.22Å; V154-K192 HydrophobicContact CG1-CB 4.11Å; V154-K192 HydrophobicContact CG1-CD 4.32Å; V154-K192 WeakPolarHBondContact O-CB 3.32Å; V154-K192 PolarHBondContact O-N 3.03Å; G190-K192 VanDerWaalsContact C-N 3.26Å; G190-K192 PolarHBondContact O-N 3.12Å; K192-K196 WeakPolarHBondContact O-CG 3.49Å; K192-K196 PolarHBondContact O-N 2.92Å; K192-K196 VanDerWaalsContact O-N 3.14Å
193D95.1Very high94.2Very high84 Ų8475.4 Ų75.445%0.44936%0.364SS..Hα-helixtrans-77.6-39-177.2-70.3-28.4000111.2G190 Y195 K196 V197G190-D193 PolarHBondContact O-N 2.92Å; D193-Y195 VanDerWaalsContact C-N 3.3Å; D193-Y195 PolarHBondContact O-N 3.39Å; D193-K196 PolarHBondContact O-N 3.25Å; D193-K196 IonicContact OD1-NZ 3.24Å; D193-V197 WeakPolarHBondContact O-CG2 3.38Å; D193-V197 PolarHBondContact O-N 3.19Å
194K96.2Very high94.5Very high60 Ų6077 Ų7726%0.26137%0.372SS..Hα-helixtrans-56.6-43.2170.1-78.4-67.1-143-164.10112.4L149 R150 C151 E189 G190 V197 M198L149-K194 HydrophobicContact CB-CB 4.37Å; R150-K194 WeakPolarHBondContact O-CE 3.27Å; C151-K194 HydrophobicContact CB-CB 4.19Å; C151-K194 HydrophobicContact CB-CG 3.93Å; E189-K194 HydrophobicContact CB-CD 4.4Å; E189-K194 HydrophobicContact CB-CG 4.02Å; E189-K194 WeakPolarHBondContact OE2-CE 2.95Å; E189-K194 IonicContact OE2-NZ 3.74Å; E189-K194 PolarHBondContact OE2-NZ 3.38Å; G190-K194 PolarHBondContact O-N 2.58Å; K194-V197 PolarHBondContact O-N 2.9Å; K194-M198 WeakPolarHBondContact O-CB 3.29Å; K194-M198 PolarHBondContact O-N 2.94Å
195Y95.3Very high94.8Very high64 Ų6474.4 Ų74.425%0.25136%0.362SS..Hα-helixtrans-63.6-43.7177.2-177.7-112000112M114 V117 L149 C191 D193 M198 L199M114-Y195 HydrophobicContact CE-CD1 3.74Å; M114-Y195 HydrophobicContact CE-CE1 4.05Å; M114-Y195 HydrophobicContact SD-CD1 4.11Å; M114-Y195 HydrophobicContact SD-CE1 3.81Å; V117-Y195 HydrophobicContact CB-CE1 4.45Å; V117-Y195 HydrophobicContact CG1-CD1 4.1Å; V117-Y195 HydrophobicContact CG1-CE1 3.95Å; V117-Y195 HydrophobicContact CG2-CE1 4.32Å; L149-Y195 HydrophobicContact CD1-CD2 4.19Å; C191-Y195 WeakPolarHBondContact O-CB 3.24Å; C191-Y195 PolarHBondContact O-N 3.03Å; D193-Y195 VanDerWaalsContact C-N 3.3Å; D193-Y195 PolarHBondContact O-N 3.39Å; Y195-M198 PolarHBondContact O-N 3.4Å; Y195-L199 HydrophobicContact CD1-CD1 3.99Å; Y195-L199 HydrophobicContact CE1-CD1 3.44Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.44Å; Y195-L199 HydrophobicContact CE1-CG 4.2Å; Y195-L199 HydrophobicContact CE2-CD1 4.36Å; Y195-L199 HydrophobicContact CE2-CG 4.28Å; Y195-L199 WeakPolarHBondContact O-CG 3.08Å; Y195-L199 PolarHBondContact O-N 2.92Å
196K94.9Very high94.8Very high89 Ų8976.3 Ų76.339%0.38737%0.373SS..Hα-helixtrans-61.2-44.8174.7-74.3174.6-175.5170.10112.8M114 K192 D193 L199 K200M114-K196 HydrophobicContact CE-CD 4.25Å; M114-K196 HydrophobicContact CE-CG 3.36Å; K192-K196 WeakPolarHBondContact O-CG 3.49Å; K192-K196 PolarHBondContact O-N 2.92Å; K192-K196 VanDerWaalsContact O-N 3.14Å; D193-K196 PolarHBondContact O-N 3.25Å; D193-K196 IonicContact OD1-NZ 3.24Å; K196-L199 PolarHBondContact O-N 2.93Å; K196-K200 WeakPolarHBondContact O-CB 3.49Å; K196-K200 PolarHBondContact O-N 3.38Å
197V95Very high94.8Very high78 Ų7882.5 Ų82.547%0.47340%0.4SS..Hα-helixtrans-62.4-46.9178.11720000109.8D193 K194 L199 K200 D201D193-V197 WeakPolarHBondContact O-CG2 3.38Å; D193-V197 PolarHBondContact O-N 3.19Å; K194-V197 PolarHBondContact O-N 2.9Å; V197-L199 PolarHBondContact O-N 2.64Å; V197-K200 PolarHBondContact O-N 3.29Å; V197-D201 WeakPolarHBondContact O-CB 3.29Å; V197-D201 VanDerWaalsContact O-CG 3.26Å; V197-D201 PolarHBondContact O-N 3.24Å
198M92.2Very high94.9Very high88 Ų8886 Ų8643%0.43342%0.419SS..Hα-helixtrans-57.8-46.5176.1-177-175.3177.800112.1L149 K194 Y195 K200 D201 K202L149-M198 HydrophobicContact CD2-SD 3.29Å; L149-M198 WeakPolarHBondContact CD2-SD 3.13Å; K194-M198 WeakPolarHBondContact O-CB 3.29Å; K194-M198 PolarHBondContact O-N 2.94Å; Y195-M198 PolarHBondContact O-N 3.4Å; M198-K200 PolarHBondContact O-N 3.39Å; M198-D201 PolarHBondContact O-N 3.33Å; M198-K202 HydrophobicContact CG-CG 4.36Å; M198-K202 VanDerWaalsContact O-CB 3.32Å; M198-K202 WeakPolarHBondContact O-CB 3.14Å; M198-K202 VanDerWaalsContact O-CG 3.26Å; M198-K202 WeakPolarHBondContact O-CG 3.24Å; M198-K202 PolarHBondContact O-N 3.16Å
199L93.3Very high94.9Very high58 Ų5882.9 Ų82.930%0.30442%0.415SS..Hα-helixtrans-61-44.4177-77179.6000111.8M114 Y195 K196 V197 K202 L203M114-L199 HydrophobicContact SD-CD1 3.76Å; Y195-L199 HydrophobicContact CD1-CD1 3.99Å; Y195-L199 HydrophobicContact CE1-CD1 3.44Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.44Å; Y195-L199 HydrophobicContact CE1-CG 4.2Å; Y195-L199 HydrophobicContact CE2-CD1 4.36Å; Y195-L199 HydrophobicContact CE2-CG 4.28Å; Y195-L199 WeakPolarHBondContact O-CG 3.08Å; Y195-L199 PolarHBondContact O-N 2.92Å; K196-L199 PolarHBondContact O-N 2.93Å; V197-L199 PolarHBondContact O-N 2.64Å; L199-K202 PolarHBondContact O-N 3.09Å; L199-L203 WeakPolarHBondContact O-CA 3Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 PolarHBondContact O-N 3.11Å
200K94.2Very high94.9Very high166 Ų16680.2 Ų80.272%0.72241%0.407SS*.Hα-helixtrans-63.4-45.2179.3-173.8-178.6176.6-174.50111.7K196 V197 M198 K202 L203K196-K200 WeakPolarHBondContact O-CB 3.49Å; K196-K200 PolarHBondContact O-N 3.38Å; V197-K200 PolarHBondContact O-N 3.29Å; M198-K200 PolarHBondContact O-N 3.39Å; K200-K202 VanDerWaalsContact C-N 3.32Å; K200-K202 PolarHBondContact O-N 3.1Å; K200-L203 WeakPolarHBondContact O-CB 3.33Å; K200-L203 PolarHBondContact O-N 2.97Å
201D94.2Very high94.8Very high107 Ų10783.4 Ų83.457%0.57243%0.425SS*.Hα-helixtrans-69-31.8-178.7-69.6-11000112.2V197 M198V197-D201 WeakPolarHBondContact O-CB 3.29Å; V197-D201 VanDerWaalsContact O-CG 3.26Å; V197-D201 PolarHBondContact O-N 3.24Å; M198-D201 PolarHBondContact O-N 3.33Å
202K93.6Very high94.8Very high106 Ų10687 Ų8746%0.46145%0.45SS..Hα-helixtrans-98.2-1.2-179.5-55.8-59.2177.7-171.60113.8M198 L199 K200 V204 I205 I206M198-K202 HydrophobicContact CG-CG 4.36Å; M198-K202 VanDerWaalsContact O-CB 3.32Å; M198-K202 WeakPolarHBondContact O-CB 3.14Å; M198-K202 VanDerWaalsContact O-CG 3.26Å; M198-K202 WeakPolarHBondContact O-CG 3.24Å; M198-K202 PolarHBondContact O-N 3.16Å; L199-K202 PolarHBondContact O-N 3.09Å; K200-K202 VanDerWaalsContact C-N 3.32Å; K200-K202 PolarHBondContact O-N 3.1Å; K202-V204 VanDerWaalsContact C-N 3.29Å; K202-V204 PolarHBondContact O-N 3.19Å; K202-I205 HydrophobicContact CD-CD1 3.9Å; K202-I205 WeakPolarHBondContact O-CB 3.49Å; K202-I205 PolarHBondContact O-N 3.12Å; K202-I206 WeakPolarHBondContact O-CG1 2.94Å; K202-I206 PolarHBondContact O-N 2.95Å
203L93.2Very high94.8Very high109 Ų10988.6 Ų88.657%0.57146%0.46SS*.Hα-helixtrans-55.8-42.9-177.1-174.966.3000112.3L199 K200 I205 I206 F207L199-L203 WeakPolarHBondContact O-CA 3Å; L199-L203 WeakPolarHBondContact O-CB 3.3Å; L199-L203 PolarHBondContact O-N 3.11Å; K200-L203 WeakPolarHBondContact O-CB 3.33Å; K200-L203 PolarHBondContact O-N 2.97Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.46Å; L203-I206 PolarHBondContact O-N 2.86Å; L203-F207 WeakPolarHBondContact O-CB 3.34Å; L203-F207 PolarHBondContact O-N 2.87Å
204V95.3Very high94.9Very high97 Ų9785.5 Ų85.559%0.58845%0.447SS*.Hα-helixtrans-63.2-41.1179177.40000111.1K202 F207 L208K202-V204 VanDerWaalsContact C-N 3.29Å; K202-V204 PolarHBondContact O-N 3.19Å; V204-F207 PolarHBondContact O-N 3.4Å; V204-L208 HydrophobicContact CG1-CD1 4.01Å; V204-L208 HydrophobicContact CG1-CG 4.33Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 VanDerWaalsContact O-CG 3.26Å; V204-L208 WeakPolarHBondContact O-CG 3.38Å; V204-L208 PolarHBondContact O-N 2.01Å
205I96.1Very high94.9Very high102 Ų10285.3 Ų85.352%0.52346%0.456SS..Hα-helixtrans-65.3-44.9179-63.2171.6000110.1K202 L203 F207 L208 A209K202-I205 HydrophobicContact CD-CD1 3.9Å; K202-I205 WeakPolarHBondContact O-CB 3.49Å; K202-I205 PolarHBondContact O-N 3.12Å; L203-I205 VanDerWaalsContact C-N 3.34Å; L203-I205 PolarHBondContact O-N 3.46Å; I205-F207 VanDerWaalsContact C-N 3.34Å; I205-F207 PolarHBondContact O-N 3.35Å; I205-L208 PolarHBondContact O-N 3.23Å; I205-A209 WeakPolarHBondContact O-CB 3.02Å; I205-A209 PolarHBondContact O-N 3.46Å
206I93.2Very high94.9Very high85 Ų8585.7 Ų85.744%0.43646%0.459SS..Hα-helixtrans-60.6-45.6177-64.1168.8000110.4K202 L203 A209 T210K202-I206 WeakPolarHBondContact O-CG1 2.94Å; K202-I206 PolarHBondContact O-N 2.95Å; L203-I206 PolarHBondContact O-N 2.86Å; I206-A209 PolarHBondContact O-N 2.95Å; I206-T210 PolarHBondContact O-N 3.2Å; I206-T210 PolarHBondContact O-OG1 2.87Å; I206-T210 VanDerWaalsContact O-OG1 3.04Å
207F94.1Very high95Very high134 Ų13482 Ų8259%0.58844%0.443SS*.Hα-helixtrans-60.7-48177.9178.5-99.5000112L203 V204 I205 A209 T210 V211L203-F207 WeakPolarHBondContact O-CB 3.34Å; L203-F207 PolarHBondContact O-N 2.87Å; V204-F207 PolarHBondContact O-N 3.4Å; I205-F207 VanDerWaalsContact C-N 3.34Å; I205-F207 PolarHBondContact O-N 3.35Å; F207-A209 PolarHBondContact O-N 2.83Å; F207-T210 PolarHBondContact O-N 3.18Å; F207-V211 HydrophobicContact CD1-CG2 4.32Å; F207-V211 HydrophobicContact CD2-CG2 4.36Å; F207-V211 HydrophobicContact CE1-CG2 3.91Å; F207-V211 HydrophobicContact CE2-CG2 3.95Å; F207-V211 HydrophobicContact CZ-CG2 3.71Å; F207-V211 WeakPolarHBondContact O-CG2 3.18Å; F207-V211 PolarHBondContact O-N 3.19Å
208L96.5Very high95Very high98 Ų9881.9 Ų81.951%0.51344%0.44SS..Hα-helixtrans-63-40.4178.7-70.6176.4000112.3V204 I205 S212V204-L208 HydrophobicContact CG1-CD1 4.01Å; V204-L208 HydrophobicContact CG1-CG 4.33Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 VanDerWaalsContact O-CG 3.26Å; V204-L208 WeakPolarHBondContact O-CG 3.38Å; V204-L208 PolarHBondContact O-N 2.01Å; I205-L208 PolarHBondContact O-N 3.23Å; L208-S212 VanDerWaalsContact O-CB 3.3Å; L208-S212 WeakPolarHBondContact O-CB 3.24Å; L208-S212 PolarHBondContact O-N 3.03Å; L208-S212 PolarHBondContact O-OG 3Å
209A95.1Very high95.1Very high49 Ų4981.8 Ų81.841%0.40544%0.437SS..Hα-helixtrans-60.9-50.317600000111I205 I206 F207 V211 S212 I213I205-A209 WeakPolarHBondContact O-CB 3.02Å; I205-A209 PolarHBondContact O-N 3.46Å; I206-A209 PolarHBondContact O-N 2.95Å; F207-A209 PolarHBondContact O-N 2.83Å; A209-V211 PolarHBondContact O-N 3.43Å; A209-S212 PolarHBondContact O-N 2.96Å; A209-I213 VanDerWaalsContact O-CG1 3.27Å; A209-I213 WeakPolarHBondContact O-CG1 3.29Å; A209-I213 PolarHBondContact O-N 3.38Å
210T94.8Very high95.2Very high56 Ų5679 Ų7934%0.34442%0.422SS..Hα-helixtrans-61.6-44.9179.4-57.30000112.2I206 F207 S212 I213 A214I206-T210 PolarHBondContact O-N 3.2Å; I206-T210 PolarHBondContact O-OG1 2.87Å; I206-T210 VanDerWaalsContact O-OG1 3.04Å; F207-T210 PolarHBondContact O-N 3.18Å; T210-S212 VanDerWaalsContact C-N 3.32Å; T210-S212 PolarHBondContact O-N 2.03Å; T210-I213 PolarHBondContact O-N 3.2Å; T210-A214 WeakPolarHBondContact O-CB 3.47Å; T210-A214 PolarHBondContact O-N 3.14Å
211V96.4Very high95.3Very high70 Ų7072.2 Ų72.242%0.42439%0.394SS..Hα-helixtrans-63.6-39.3177.6170.90000111.5F207 A209 A214 A215F207-V211 HydrophobicContact CD1-CG2 4.32Å; F207-V211 HydrophobicContact CD2-CG2 4.36Å; F207-V211 HydrophobicContact CE1-CG2 3.91Å; F207-V211 HydrophobicContact CE2-CG2 3.95Å; F207-V211 HydrophobicContact CZ-CG2 3.71Å; F207-V211 WeakPolarHBondContact O-CG2 3.18Å; F207-V211 PolarHBondContact O-N 3.19Å; A209-V211 PolarHBondContact O-N 3.43Å; V211-A214 PolarHBondContact O-N 3.4Å; V211-A215 WeakPolarHBondContact O-CB 3.32Å; V211-A215 PolarHBondContact O-N 3.48Å
212S96.2Very high95.3Very high76 Ų7672 Ų7253%0.53139%0.392SS..Hα-helixtrans-65.5-43.4178.7-58.70000111.7L208 A209 T210 A215 F216L208-S212 VanDerWaalsContact O-CB 3.3Å; L208-S212 WeakPolarHBondContact O-CB 3.24Å; L208-S212 PolarHBondContact O-N 3.03Å; L208-S212 PolarHBondContact O-OG 3Å; A209-S212 PolarHBondContact O-N 2.96Å; T210-S212 VanDerWaalsContact C-N 3.32Å; T210-S212 PolarHBondContact O-N 2.03Å; S212-A215 PolarHBondContact O-N 3.13Å; S212-F216 VanDerWaalsContact O-CB 3.22Å; S212-F216 WeakPolarHBondContact O-CB 3.31Å; S212-F216 PolarHBondContact O-N 3.14Å
213I95.9Very high95.2Very high84 Ų8468.4 Ų68.443%0.43138%0.376SS..Hα-helixtrans-63.2-47.5176.5-62163.9000110A209 T210 A215 F216 E217A209-I213 VanDerWaalsContact O-CG1 3.27Å; A209-I213 WeakPolarHBondContact O-CG1 3.29Å; A209-I213 PolarHBondContact O-N 3.38Å; T210-I213 PolarHBondContact O-N 3.2Å; I213-A215 PolarHBondContact O-N 3.22Å; I213-F216 WeakPolarHBondContact O-CB 3.01Å; I213-F216 PolarHBondContact O-N 3.12Å; I213-E217 HydrophobicContact CG2-CG 4.48Å; I213-E217 WeakPolarHBondContact CG2-OE1 3.29Å; I213-E217 WeakPolarHBondContact O-CG 3.44Å; I213-E217 PolarHBondContact O-N 2.81Å
214A97.4Very high95.2Very high20 Ų2063.2 Ų63.217%0.16535%0.349CS..Hα-helixtrans-61.2-42.5178.700000112.8F96 T210 V211 F216 E217 I218F96-A214 HydrophobicContact CD2-CB 4.44Å; F96-A214 HydrophobicContact CE2-CB 4.24Å; T210-A214 WeakPolarHBondContact O-CB 3.47Å; T210-A214 PolarHBondContact O-N 3.14Å; V211-A214 PolarHBondContact O-N 3.4Å; A214-F216 VanDerWaalsContact C-N 3.31Å; A214-F216 PolarHBondContact O-N 3.14Å; A214-E217 PolarHBondContact O-N 2.94Å; A214-I218 VanDerWaalsContact O-CG1 3.3Å; A214-I218 WeakPolarHBondContact O-CG1 3.4Å; A214-I218 PolarHBondContact O-N 2.92Å
215A96.4Very high95.1Very high56 Ų5663.8 Ų63.846%0.46335%0.347SS..Hα-helixtrans-63.2-40.8176.100000111.6V211 S212 I213 I218 F219V211-A215 WeakPolarHBondContact O-CB 3.32Å; V211-A215 PolarHBondContact O-N 3.48Å; S212-A215 PolarHBondContact O-N 3.13Å; I213-A215 PolarHBondContact O-N 3.22Å; A215-I218 PolarHBondContact O-N 3.43Å; A215-F219 WeakPolarHBondContact O-CB 3.47Å; A215-F219 PolarHBondContact O-N 3.12Å
216F94.5Very high94.9Very high72 Ų7262 Ų6232%0.31634%0.341SS..Hα-helixtrans-65.5-38.8177.1177.1-98.4000112.4F15 S212 I213 A214 F219 C220F15-F216 AromaticContact CD1-CE2 3.87Å; F15-F216 HydrophobicContact CD1-CE2 3.87Å; F15-F216 AromaticContact CD1-CZ 3.59Å; F15-F216 HydrophobicContact CD1-CZ 3.59Å; F15-F216 HydrophobicContact CD2-CE2 4.03Å; F15-F216 HydrophobicContact CE1-CD2 4.49Å; F15-F216 AromaticContact CE1-CE1 3.75Å; F15-F216 HydrophobicContact CE1-CE1 3.75Å; F15-F216 AromaticContact CE1-CE2 3.26Å; F15-F216 HydrophobicContact CE1-CE2 3.26Å; F15-F216 AromaticContact CE1-CZ 2.81Å; F15-F216 HydrophobicContact CE1-CZ 2.81Å; F15-F216 HydrophobicContact CE2-CD2 4.17Å; F15-F216 AromaticContact CE2-CE2 3.34Å; F15-F216 HydrophobicContact CE2-CE2 3.34Å; F15-F216 AromaticContact CE2-CZ 3.85Å; F15-F216 HydrophobicContact CE2-CZ 3.85Å; F15-F216 HydrophobicContact CG-CE2 4.28Å; F15-F216 HydrophobicContact CG-CZ 4.43Å; F15-F216 AromaticContact CZ-CD2 3.89Å; F15-F216 HydrophobicContact CZ-CD2 3.89Å; F15-F216 AromaticContact CZ-CE1 3.83Å; F15-F216 HydrophobicContact CZ-CE1 3.83Å; F15-F216 AromaticContact CZ-CE2 2.93Å; F15-F216 HydrophobicContact CZ-CE2 2.93Å; F15-F216 AromaticContact CZ-CZ 2.95Å; F15-F216 HydrophobicContact CZ-CZ 2.95Å; S212-F216 VanDerWaalsContact O-CB 3.22Å; S212-F216 WeakPolarHBondContact O-CB 3.31Å; S212-F216 PolarHBondContact O-N 3.14Å; I213-F216 WeakPolarHBondContact O-CB 3.01Å; I213-F216 PolarHBondContact O-N 3.12Å; A214-F216 VanDerWaalsContact C-N 3.31Å; A214-F216 PolarHBondContact O-N 3.14Å; F216-F219 WeakPolarHBondContact O-CB 3.49Å; F216-F219 PolarHBondContact O-N 2.77Å; F216-C220 WeakPolarHBondContact CZ-SG 2.87Å; F216-C220 PolarHBondContact O-N 3.49Å; F216-C220 PolarHBondContact O-SG 3.42Å; F216-C220 VanDerWaalsContact O-SG 3.36Å
217E96.4Very high94.7Very high10 Ų1058.1 Ų58.15%0.04732%0.321CS..Hα-helixtrans-65.6-45.9173.6-73.9172.9-175.600112.6L92 I95 F96 Q99 I213 A214 F219 C220 L221L92-E217 HydrophobicContact CD2-CG 4.34Å; I95-E217 WeakPolarHBondContact CG2-OE1 3.39Å; F96-E217 VanDerWaalsContact CA-OE2 3.29Å; F96-E217 WeakPolarHBondContact CA-OE2 3.42Å; F96-E217 WeakPolarHBondContact CB-OE2 3.03Å; F96-E217 PolarHBondContact N-OE2 3.15Å; Q99-E217 VanDerWaalsContact NE2-CD 3.31Å; Q99-E217 PolarHBondContact NE2-OE1 3.44Å; Q99-E217 PolarHBondContact NE2-OE2 2.95Å; Q99-E217 PolarHBondContact OE1-OE2 3.41Å; I213-E217 HydrophobicContact CG2-CG 4.48Å; I213-E217 WeakPolarHBondContact CG2-OE1 3.29Å; I213-E217 WeakPolarHBondContact O-CG 3.44Å; I213-E217 PolarHBondContact O-N 2.81Å; A214-E217 PolarHBondContact O-N 2.94Å; E217-F219 VanDerWaalsContact C-N 3.27Å; E217-F219 PolarHBondContact O-N 3.15Å; E217-C220 PolarHBondContact O-N 3.29Å; E217-C220 VanDerWaalsContact O-N 3.1Å; E217-L221 WeakPolarHBondContact O-CB 3.32Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.46Å; E217-L221 PolarHBondContact O-N 2.96Å
218I96.4Very high94.6Very high77 Ų7753.7 Ų53.740%0.39531%0.306SS..Hα-helixtrans-58.4-43.8176-69.6166.8000110F96 A214 A215 C220 L221 L222F96-I218 HydrophobicContact CD2-CG1 4.38Å; F96-I218 HydrophobicContact CE2-CD1 3.86Å; F96-I218 HydrophobicContact CE2-CG1 3.98Å; F96-I218 HydrophobicContact CZ-CD1 4.27Å; A214-I218 VanDerWaalsContact O-CG1 3.3Å; A214-I218 WeakPolarHBondContact O-CG1 3.4Å; A214-I218 PolarHBondContact O-N 2.92Å; A215-I218 PolarHBondContact O-N 3.43Å; I218-C220 PolarHBondContact O-N 2.81Å; I218-L221 PolarHBondContact O-N 3.19Å; I218-L222 HydrophobicContact CG2-CD1 4.09Å; I218-L222 HydrophobicContact CG2-CG 4.41Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.22Å; I218-L222 PolarHBondContact O-N 2.87Å
219F93.8Very high94.3Very high85 Ų8551.9 Ų51.937%0.37330%0.301SS..Hα-helixtrans-56.9-49.5174.3178.1-92.3000111.2A215 F216 E217 L221 L222 F223A215-F219 WeakPolarHBondContact O-CB 3.47Å; A215-F219 PolarHBondContact O-N 3.12Å; F216-F219 WeakPolarHBondContact O-CB 3.49Å; F216-F219 PolarHBondContact O-N 2.77Å; E217-F219 VanDerWaalsContact C-N 3.27Å; E217-F219 PolarHBondContact O-N 3.15Å; F219-L221 PolarHBondContact O-N 3.13Å; F219-L222 PolarHBondContact O-N 3.35Å; F219-F223 HydrophobicContact CD1-CD2 4.22Å; F219-F223 HydrophobicContact CD1-CE2 4.26Å; F219-F223 HydrophobicContact CD2-CD2 4.13Å; F219-F223 AromaticContact CD2-CE2 3.6Å; F219-F223 HydrophobicContact CD2-CE2 3.6Å; F219-F223 HydrophobicContact CD2-CZ 4.35Å; F219-F223 HydrophobicContact CE1-CD2 4.03Å; F219-F223 HydrophobicContact CE1-CE1 4.33Å; F219-F223 AromaticContact CE1-CE2 3.82Å; F219-F223 HydrophobicContact CE1-CE2 3.82Å; F219-F223 HydrophobicContact CE1-CG 4.39Å; F219-F223 AromaticContact CE1-CZ 3.98Å; F219-F223 HydrophobicContact CE1-CZ 3.98Å; F219-F223 AromaticContact CE2-CD2 3.96Å; F219-F223 HydrophobicContact CE2-CD2 3.96Å; F219-F223 HydrophobicContact CE2-CE1 4.47Å; F219-F223 AromaticContact CE2-CE2 3.09Å; F219-F223 HydrophobicContact CE2-CE2 3.09Å; F219-F223 AromaticContact CE2-CZ 3.41Å; F219-F223 HydrophobicContact CE2-CZ 3.41Å; F219-F223 VanDerWaalsContact CE2-CZ 3.41Å; F219-F223 HydrophobicContact CG-CD2 4.27Å; F219-F223 HydrophobicContact CG-CE2 4.17Å; F219-F223 HydrophobicContact CZ-CD1 4.47Å; F219-F223 AromaticContact CZ-CD2 3.91Å; F219-F223 HydrophobicContact CZ-CD2 3.91Å; F219-F223 AromaticContact CZ-CE1 3.84Å; F219-F223 HydrophobicContact CZ-CE1 3.84Å; F219-F223 AromaticContact CZ-CE2 3.22Å; F219-F223 HydrophobicContact CZ-CE2 3.22Å; F219-F223 HydrophobicContact CZ-CG 4.49Å; F219-F223 AromaticContact CZ-CZ 3.18Å; F219-F223 HydrophobicContact CZ-CZ 3.18Å; F219-F223 WeakPolarHBondContact O-CD2 2.94Å; F219-F223 PolarHBondContact O-N 3Å; F219-F223 VanDerWaalsContact O-N 3.07Å
220C94.8Very high93.9Very high0 Ų050.8 Ų50.80%029%0.289CS..Hα-helixtrans-64.6-37.2178.3-70.10000114Y88 L92 F216 E217 I218 F223 S224Y88-C220 HydrophobicContact CE1-CB 4.33Å; Y88-C220 WeakPolarHBondContact OH-CB 3.19Å; Y88-C220 PolarHBondContact OH-SG 3.17Å; L92-C220 HydrophobicContact CD1-CB 3.47Å; L92-C220 VanDerWaalsContact CD1-CB 3.47Å; F216-C220 WeakPolarHBondContact CZ-SG 2.87Å; F216-C220 PolarHBondContact O-N 3.49Å; F216-C220 PolarHBondContact O-SG 3.42Å; F216-C220 VanDerWaalsContact O-SG 3.36Å; E217-C220 PolarHBondContact O-N 3.29Å; E217-C220 VanDerWaalsContact O-N 3.1Å; I218-C220 PolarHBondContact O-N 2.81Å; C220-F223 PolarHBondContact O-N 2.84Å; C220-S224 VanDerWaalsContact O-CB 3.27Å; C220-S224 WeakPolarHBondContact O-CB 3.49Å; C220-S224 PolarHBondContact O-N 2.75Å; C220-S224 PolarHBondContact O-OG 3Å
221L96.2Very high93.6Very high23 Ų2348.3 Ų48.312%0.1227%0.274CS..Hα-helixtrans-62.8-46.6176-75.7169.5000111.2F89 L92 I93 E217 I218 F219 F223 S224 M225F89-L221 HydrophobicContact CD2-CB 4.5Å; F89-L221 HydrophobicContact CD2-CD2 3.47Å; F89-L221 VanDerWaalsContact CD2-CD2 3.47Å; F89-L221 HydrophobicContact CE2-CB 4.23Å; F89-L221 HydrophobicContact CE2-CD2 3.59Å; F89-L221 HydrophobicContact CG-CD2 4.1Å; F89-L221 HydrophobicContact CZ-CD2 4.31Å; L92-L221 HydrophobicContact CB-CD2 3.55Å; L92-L221 HydrophobicContact CB-CG 3.92Å; L92-L221 HydrophobicContact CD1-CD2 4.25Å; L92-L221 HydrophobicContact CD1-CG 4.25Å; I93-L221 HydrophobicContact CG1-CD1 4.32Å; I93-L221 HydrophobicContact CG1-CD2 3.68Å; E217-L221 WeakPolarHBondContact O-CB 3.32Å; E217-L221 VanDerWaalsContact O-CG 3.29Å; E217-L221 WeakPolarHBondContact O-CG 3.46Å; E217-L221 PolarHBondContact O-N 2.96Å; I218-L221 PolarHBondContact O-N 3.19Å; F219-L221 PolarHBondContact O-N 3.13Å; L221-F223 PolarHBondContact O-N 3.46Å; L221-S224 PolarHBondContact O-N 2.04Å; L221-M225 VanDerWaalsContact O-CB 3.32Å; L221-M225 WeakPolarHBondContact O-CB 3.38Å; L221-M225 PolarHBondContact O-N 3.22Å
222L94.2Very high93.2Very high102 Ų10253.7 Ų53.753%0.53429%0.286SS..Hα-helixtrans-60.3-46.2176.9-70.1173000111.2I218 F219 M225 V226I218-L222 HydrophobicContact CG2-CD1 4.09Å; I218-L222 HydrophobicContact CG2-CG 4.41Å; I218-L222 VanDerWaalsContact O-CG 3.28Å; I218-L222 WeakPolarHBondContact O-CG 3.22Å; I218-L222 PolarHBondContact O-N 2.87Å; F219-L222 PolarHBondContact O-N 3.35Å; L222-M225 PolarHBondContact O-N 2.83Å; L222-V226 VanDerWaalsContact O-CG2 3.32Å; L222-V226 WeakPolarHBondContact O-CG2 3.27Å; L222-V226 PolarHBondContact O-N 3.03Å
223F91.8Very high92.8Very high31 Ų3155.9 Ų55.914%0.13629%0.288CS..Hα-helixtrans-64.3-44.1178.7-84.6-117.1000111.6L8 I11 L12 F219 C220 L221 M225 V226 M227L8-F223 HydrophobicContact CB-CD1 4.28Å; L8-F223 HydrophobicContact CB-CE1 4.28Å; L8-F223 HydrophobicContact CD2-CD1 3.82Å; L8-F223 HydrophobicContact CD2-CE1 3.19Å; L8-F223 HydrophobicContact CD2-CE2 4.38Å; L8-F223 HydrophobicContact CD2-CZ 3.52Å; L8-F223 HydrophobicContact CG-CE1 4.31Å; I11-F223 HydrophobicContact CB-CE1 4.37Å; I11-F223 HydrophobicContact CG2-CE1 3.97Å; L12-F223 HydrophobicContact CD1-CB 4.21Å; F219-F223 HydrophobicContact CD1-CD2 4.22Å; F219-F223 HydrophobicContact CD1-CE2 4.26Å; F219-F223 HydrophobicContact CD2-CD2 4.13Å; F219-F223 AromaticContact CD2-CE2 3.6Å; F219-F223 HydrophobicContact CD2-CE2 3.6Å; F219-F223 HydrophobicContact CD2-CZ 4.35Å; F219-F223 HydrophobicContact CE1-CD2 4.03Å; F219-F223 HydrophobicContact CE1-CE1 4.33Å; F219-F223 AromaticContact CE1-CE2 3.82Å; F219-F223 HydrophobicContact CE1-CE2 3.82Å; F219-F223 HydrophobicContact CE1-CG 4.39Å; F219-F223 AromaticContact CE1-CZ 3.98Å; F219-F223 HydrophobicContact CE1-CZ 3.98Å; F219-F223 AromaticContact CE2-CD2 3.96Å; F219-F223 HydrophobicContact CE2-CD2 3.96Å; F219-F223 HydrophobicContact CE2-CE1 4.47Å; F219-F223 AromaticContact CE2-CE2 3.09Å; F219-F223 HydrophobicContact CE2-CE2 3.09Å; F219-F223 AromaticContact CE2-CZ 3.41Å; F219-F223 HydrophobicContact CE2-CZ 3.41Å; F219-F223 VanDerWaalsContact CE2-CZ 3.41Å; F219-F223 HydrophobicContact CG-CD2 4.27Å; F219-F223 HydrophobicContact CG-CE2 4.17Å; F219-F223 HydrophobicContact CZ-CD1 4.47Å; F219-F223 AromaticContact CZ-CD2 3.91Å; F219-F223 HydrophobicContact CZ-CD2 3.91Å; F219-F223 AromaticContact CZ-CE1 3.84Å; F219-F223 HydrophobicContact CZ-CE1 3.84Å; F219-F223 AromaticContact CZ-CE2 3.22Å; F219-F223 HydrophobicContact CZ-CE2 3.22Å; F219-F223 HydrophobicContact CZ-CG 4.49Å; F219-F223 AromaticContact CZ-CZ 3.18Å; F219-F223 HydrophobicContact CZ-CZ 3.18Å; F219-F223 WeakPolarHBondContact O-CD2 2.94Å; F219-F223 PolarHBondContact O-N 3Å; F219-F223 VanDerWaalsContact O-N 3.07Å; C220-F223 PolarHBondContact O-N 2.84Å; L221-F223 PolarHBondContact O-N 3.46Å; F223-M225 VanDerWaalsContact C-N 3.34Å; F223-M225 PolarHBondContact O-N 3.22Å; F223-V226 PolarHBondContact O-N 2.84Å; F223-M227 VanDerWaalsContact O-CB 3.26Å; F223-M227 WeakPolarHBondContact O-CB 3.26Å; F223-M227 WeakPolarHBondContact O-CG 3.24Å; F223-M227 PolarHBondContact O-N 3.31Å
224S93Very high92.3Very high1 Ų159 Ų591%0.00730%0.295CS..Hα-helixtrans-63-41177.8-58.30000112L85 Y88 C220 L221 M227 C228L85-S224 WeakPolarHBondContact CD2-O 3.25Å; Y88-S224 WeakPolarHBondContact CD1-OG 3.27Å; Y88-S224 WeakPolarHBondContact CE1-OG 3.21Å; C220-S224 VanDerWaalsContact O-CB 3.27Å; C220-S224 WeakPolarHBondContact O-CB 3.49Å; C220-S224 PolarHBondContact O-N 2.75Å; C220-S224 PolarHBondContact O-OG 3Å; L221-S224 PolarHBondContact O-N 2.04Å; S224-M227 PolarHBondContact O-N 2.95Å; S224-C228 WeakPolarHBondContact O-CB 3.25Å; S224-C228 PolarHBondContact O-N 3.45Å
225M93Very high91.6Very high108 Ų10861.9 Ų61.953%0.53231%0.306SS..Hα-helixtrans-64-49.4177.1-175.1-177.9-17900111.2F89 L221 L222 F223 M227 C228 C229F89-M225 HydrophobicContact CE2-CB 4.18Å; L221-M225 VanDerWaalsContact O-CB 3.32Å; L221-M225 WeakPolarHBondContact O-CB 3.38Å; L221-M225 PolarHBondContact O-N 3.22Å; L222-M225 PolarHBondContact O-N 2.83Å; F223-M225 VanDerWaalsContact C-N 3.34Å; F223-M225 PolarHBondContact O-N 3.22Å; M225-M227 VanDerWaalsContact C-N 3.3Å; M225-M227 PolarHBondContact O-N 3.39Å; M225-C228 PolarHBondContact O-N 3.08Å; M225-C229 WeakPolarHBondContact O-CB 3.41Å; M225-C229 PolarHBondContact O-N 3.37Å; M225-C229 PolarHBondContact O-SG 3.38Å
226V92.5Very high91.1Very high66 Ų6663 Ų6340%0.431%0.31SS..Hα-helixtrans-60.2-42.7178.2171.40000111.1L8 L222 F223 T230L8-V226 HydrophobicContact CD1-CG1 3.89Å; L222-V226 VanDerWaalsContact O-CG2 3.32Å; L222-V226 WeakPolarHBondContact O-CG2 3.27Å; L222-V226 PolarHBondContact O-N 3.03Å; F223-V226 PolarHBondContact O-N 2.84Å; V226-T230 WeakPolarHBondContact O-CB 3.44Å; V226-T230 PolarHBondContact O-N 2.59Å; V226-T230 PolarHBondContact O-OG1 3.17Å
227M89.9Confident90.7Very high2 Ų264.9 Ų64.91%0.0132%0.323CS..Hα-helixtrans-64.5-45.6177.2-75.9-70.3-74.900111.9R9 L12 A77 L85 F223 S224 M225 C229 T230 I231R9-M227 HydrophobicContact CB-CE 3.44Å; R9-M227 VanDerWaalsContact CB-CE 3.44Å; R9-M227 HydrophobicContact CB-SD 3.88Å; R9-M227 HydrophobicContact CG-CE 3.48Å; R9-M227 VanDerWaalsContact CG-CE 3.48Å; L12-M227 HydrophobicContact CD2-CG 4.33Å; A77-M227 HydrophobicContact CB-CE 4.44Å; L85-M227 HydrophobicContact CD2-CB 3.66Å; F223-M227 VanDerWaalsContact O-CB 3.26Å; F223-M227 WeakPolarHBondContact O-CB 3.26Å; F223-M227 WeakPolarHBondContact O-CG 3.24Å; F223-M227 PolarHBondContact O-N 3.31Å; S224-M227 PolarHBondContact O-N 2.95Å; M225-M227 VanDerWaalsContact C-N 3.3Å; M225-M227 PolarHBondContact O-N 3.39Å; M227-C229 PolarHBondContact O-N 3.06Å; M227-T230 PolarHBondContact O-N 3.35Å; M227-I231 VanDerWaalsContact O-CG1 3.3Å; M227-I231 WeakPolarHBondContact O-CG1 3.43Å; M227-I231 PolarHBondContact O-N 3.38Å
228C90.4Very high89.9Confident42 Ų4270.7 Ų70.728%0.28435%0.346SS..Hα-helixtrans-61.7-45.6177.3-172.50000111.7L85 S224 M225 T230 I231 R232L85-C228 HydrophobicContact CD2-CB 3.93Å; S224-C228 WeakPolarHBondContact O-CB 3.25Å; S224-C228 PolarHBondContact O-N 3.45Å; M225-C228 PolarHBondContact O-N 3.08Å; C228-T230 VanDerWaalsContact C-N 3.32Å; C228-T230 PolarHBondContact O-N 2.73Å; C228-I231 PolarHBondContact O-N 3.21Å; C228-R232 WeakPolarHBondContact O-CB 3.33Å; C228-R232 PolarHBondContact O-N 2.9Å
229C90.3Very high89Confident59 Ų5974.5 Ų74.540%0.39936%0.356SS..Hα-helixtrans-59.3-42.5174.9-72.30000111.9M225 M227 R232 Q233M225-C229 WeakPolarHBondContact O-CB 3.41Å; M225-C229 PolarHBondContact O-N 3.37Å; M225-C229 PolarHBondContact O-SG 3.38Å; M227-C229 PolarHBondContact O-N 3.06Å; C229-R232 PolarHBondContact O-N 2.93Å; C229-Q233 WeakPolarHBondContact O-CG 3.47Å; C229-Q233 PolarHBondContact O-N 3.02Å
230T88.3Confident88.2Confident26 Ų2671.2 Ų71.216%0.1635%0.347CS..Hα-helixtrans-65.1-47.9178.9-590000111.8I5 V226 M227 C228 R232 Q233 Y234I5-T230 HydrophobicContact CD1-CG2 3.81Å; I5-T230 HydrophobicContact CG1-CG2 4.42Å; I5-T230 HydrophobicContact CG2-CG2 3.71Å; V226-T230 WeakPolarHBondContact O-CB 3.44Å; V226-T230 PolarHBondContact O-N 2.59Å; V226-T230 PolarHBondContact O-OG1 3.17Å; M227-T230 PolarHBondContact O-N 3.35Å; C228-T230 VanDerWaalsContact C-N 3.32Å; C228-T230 PolarHBondContact O-N 2.73Å; T230-R232 PolarHBondContact O-N 3.29Å; T230-Q233 PolarHBondContact O-N 2.88Å; T230-Y234 PolarHBondContact O-N 2.89Å
231I87.7Confident87.3Confident4 Ų475 Ų752%0.02137%0.37CS..Hα-helixtrans-60.4-39.2178.2-66.1163.3000109.7E80 Q82 L85 M227 C228 Y234 H235E80-I231 HydrophobicContact CB-CD1 4.06Å; E80-I231 HydrophobicContact CB-CG1 4.28Å; Q82-I231 HydrophobicContact CG-CB 4.21Å; Q82-I231 HydrophobicContact CG-CG2 3.44Å; Q82-I231 VanDerWaalsContact CG-CG2 3.44Å; L85-I231 HydrophobicContact CD2-CD1 4.27Å; M227-I231 VanDerWaalsContact O-CG1 3.3Å; M227-I231 WeakPolarHBondContact O-CG1 3.43Å; M227-I231 PolarHBondContact O-N 3.38Å; C228-I231 PolarHBondContact O-N 3.21Å; I231-Y234 PolarHBondContact O-N 3.22Å; I231-H235 PolarHBondContact O-CD2 3.1Å; I231-H235 PolarHBondContact O-N 3.38Å
232R88Confident86.2Confident183 Ų18377.2 Ų77.269%0.69138%0.381SS*.Hα-helixtrans-64.4-44.3176.4-172.4176.5177.7172.9-0112.8Q82 C228 C229 T230 H235 S236Q82-R232 VanDerWaalsContact NE2-CB 3.34Å; C228-R232 WeakPolarHBondContact O-CB 3.33Å; C228-R232 PolarHBondContact O-N 2.9Å; C229-R232 PolarHBondContact O-N 2.93Å; T230-R232 PolarHBondContact O-N 3.29Å; R232-H235 PolarHBondContact O-N 3.05Å; R232-S236 WeakPolarHBondContact O-CB 3.47Å; R232-S236 PolarHBondContact O-N 3.13Å
233Q87.6Confident85.2Confident122 Ų12279.9 Ų79.957%0.5739%0.386SS*.Hα-helixtrans-62.4-44.8176.5-75.5175.7-800111.1C229 T230 H235 S236 D237C229-Q233 WeakPolarHBondContact O-CG 3.47Å; C229-Q233 PolarHBondContact O-N 3.02Å; T230-Q233 PolarHBondContact O-N 2.88Å; Q233-H235 VanDerWaalsContact C-N 3.34Å; Q233-H235 PolarHBondContact O-N 3.32Å; Q233-S236 PolarHBondContact O-N 3.21Å; Q233-S236 VanDerWaalsContact O-N 3.11Å; Q233-D237 PolarHBondContact O-N 3.43Å
234Y85.4Confident84.4Confident149 Ų14981.1 Ų81.158%0.58440%0.398SS*.Hα-helixtrans-58.2-44.9177.2-176.8-99.6000112.3T230 I231 Y238T230-Y234 PolarHBondContact O-N 2.89Å; I231-Y234 PolarHBondContact O-N 3.22Å; Y234-Y238 WeakPolarHBondContact O-CB 3.27Å; Y234-Y238 PolarHBondContact O-N 3.28Å
235H83.9Confident83.6Confident82 Ų8287.1 Ų87.138%0.3843%0.428SS..Hα-helixtrans-62.7-45.6173.4-88.7-73.9000112.3I231 R232 Q233 D237 Y238 Y239I231-H235 PolarHBondContact O-CD2 3.1Å; I231-H235 PolarHBondContact O-N 3.38Å; R232-H235 PolarHBondContact O-N 3.05Å; Q233-H235 VanDerWaalsContact C-N 3.34Å; Q233-H235 PolarHBondContact O-N 3.32Å; H235-D237 PolarHBondContact O-N 2.92Å; H235-Y238 PolarHBondContact O-N 3.19Å; H235-Y239 AromaticContact ND1-CE2 3.86Å; H235-Y239 WeakPolarHBondContact O-CD2 3.41Å; H235-Y239 PolarHBondContact O-N 3.2Å
236S85.6Confident82.6Confident79 Ų7986.1 Ų86.155%0.55244%0.438SS*.Hα-helixtrans-60.8-42.7179.3-169.80000112.4R232 Q233 G240R232-S236 WeakPolarHBondContact O-CB 3.47Å; R232-S236 PolarHBondContact O-N 3.13Å; Q233-S236 PolarHBondContact O-N 3.21Å; Q233-S236 VanDerWaalsContact O-N 3.11Å; S236-G240 WeakPolarHBondContact O-CA 3.41Å; S236-G240 PolarHBondContact O-N 2.81Å
237D84.8Confident81.3Confident111 Ų11190.8 Ų90.859%0.59447%0.466SS*.Hα-helixtrans-68-40178.3-69.4-17.1000111Q233 H235 G240 V241Q233-D237 PolarHBondContact O-N 3.43Å; H235-D237 PolarHBondContact O-N 2.92Å; D237-G240 CarbonylContact O-C 3.4Å; D237-G240 WeakPolarHBondContact O-CA 3.45Å; D237-G240 PolarHBondContact O-N 2.82Å; D237-V241 WeakPolarHBondContact O-CG2 3.46Å; D237-V241 PolarHBondContact O-N 3.17Å
238Y80.9Confident80.9Confident133 Ų13395.2 Ų95.252%0.52249%0.489SS..Hα-helixtrans-66.9-46.5179.3-172.8-98.1000112.7Y234 H235 G240 V241 N242Y234-Y238 WeakPolarHBondContact O-CB 3.27Å; Y234-Y238 PolarHBondContact O-N 3.28Å; H235-Y238 PolarHBondContact O-N 3.19Å; Y238-G240 PolarHBondContact O-N 3.18Å; Y238-V241 PolarHBondContact O-N 3.11Å; Y238-N242 WeakPolarHBondContact CD1-ND2 3.28Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.35Å; Y238-N242 PolarHBondContact O-N 3.12Å; Y238-N242 PolarHBondContact O-ND2 3.48Å
239Y77.8Confident80.4Confident156 Ų15698 Ų9861%0.61250%0.5SS*.Hα-helixtrans-65.7-32.2170.4-74-69.1000111.5H235 N242 Y243H235-Y239 AromaticContact ND1-CE2 3.86Å; H235-Y239 WeakPolarHBondContact O-CD2 3.41Å; H235-Y239 PolarHBondContact O-N 3.2Å; Y239-N242 PolarHBondContact O-N 3.32Å; Y239-Y243 WeakPolarHBondContact O-CD1 3.4Å; Y239-Y243 PolarHBondContact O-N 3.48Å
240G76.5Confident79.8Confident17 Ų17100.2 Ų100.218%0.17551%0.506CS..Hα-helixtrans-55.6-48.4173.700000113.4S236 D237 Y238 Y243 S244S236-G240 WeakPolarHBondContact O-CA 3.41Å; S236-G240 PolarHBondContact O-N 2.81Å; D237-G240 CarbonylContact O-C 3.4Å; D237-G240 WeakPolarHBondContact O-CA 3.45Å; D237-G240 PolarHBondContact O-N 2.82Å; Y238-G240 PolarHBondContact O-N 3.18Å; G240-Y243 VanDerWaalsContact C-CE1 3.43Å; G240-Y243 WeakPolarHBondContact O-CD1 3.36Å; G240-Y243 WeakPolarHBondContact O-CE1 3.46Å; G240-Y243 VanDerWaalsContact O-CZ 3.3Å; G240-S244 PolarHBondContact O-N 3.08Å; G240-S244 PolarHBondContact O-OG 2.63Å
241V74.7Confident79.3Confident79 Ų79104.5 Ų104.548%0.47953%0.526SS..Hα-helixtrans-75.2-38179.2174.10000111.2D237 Y238 Y243 S244 I245D237-V241 WeakPolarHBondContact O-CG2 3.46Å; D237-V241 PolarHBondContact O-N 3.17Å; Y238-V241 PolarHBondContact O-N 3.11Å; V241-Y243 VanDerWaalsContact C-N 3.33Å; V241-Y243 PolarHBondContact O-N 3.07Å; V241-S244 WeakPolarHBondContact CA-OG 3.42Å; V241-S244 PolarHBondContact O-N 2.88Å; V241-S244 PolarHBondContact O-OG 2.68Å; V241-I245 HydrophobicContact CG1-CD1 3.68Å; V241-I245 HydrophobicContact CG1-CG1 4.36Å; V241-I245 VanDerWaalsContact O-CG1 3.31Å; V241-I245 WeakPolarHBondContact O-CG1 3.49Å; V241-I245 PolarHBondContact O-N 2.78Å
242N73.7Confident78.8Confident69 Ų69110.8 Ų110.837%0.36956%0.558SS.*Hα-helixtrans-66.4-33.6178.4-73.6-22.3000112.8Y238 Y239 A246Y238-N242 WeakPolarHBondContact CD1-ND2 3.28Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.35Å; Y238-N242 PolarHBondContact O-N 3.12Å; Y238-N242 PolarHBondContact O-ND2 3.48Å; Y239-N242 PolarHBondContact O-N 3.32Å; N242-A246 WeakPolarHBondContact O-CB 3.12Å; N242-A246 PolarHBondContact O-N 3.19Å
243Y74.4Confident78.2Confident159 Ų159106 Ų10662%0.62455%0.549SS*.Hα-helixtrans-67.3-40.5173.385-112.1000111.2Y239 G240 V241 I245 A246 T247Y239-Y243 WeakPolarHBondContact O-CD1 3.4Å; Y239-Y243 PolarHBondContact O-N 3.48Å; G240-Y243 VanDerWaalsContact C-CE1 3.43Å; G240-Y243 WeakPolarHBondContact O-CD1 3.36Å; G240-Y243 WeakPolarHBondContact O-CE1 3.46Å; G240-Y243 VanDerWaalsContact O-CZ 3.3Å; V241-Y243 VanDerWaalsContact C-N 3.33Å; V241-Y243 PolarHBondContact O-N 3.07Å; Y243-I245 VanDerWaalsContact C-N 3.31Å; Y243-I245 PolarHBondContact O-N 3.01Å; Y243-A246 PolarHBondContact O-N 2.74Å; Y243-A246 VanDerWaalsContact O-N 3.12Å; Y243-T247 PolarHBondContact O-N 2.81Å; Y243-T247 PolarHBondContact O-OG1 3Å
244S74Confident77.5Confident56 Ų56104.9 Ų104.939%0.39255%0.547SS..Hα-helixtrans-74.1-24-175.262.20000112.9G240 V241 T247G240-S244 PolarHBondContact O-N 3.08Å; G240-S244 PolarHBondContact O-OG 2.63Å; V241-S244 WeakPolarHBondContact CA-OG 3.42Å; V241-S244 PolarHBondContact O-N 2.88Å; V241-S244 PolarHBondContact O-OG 2.68Å; S244-T247 PolarHBondContact O-OG1 2.8Å
245I75.8Confident76.9Confident127 Ų127101.5 Ų101.565%0.65154%0.544SS*.Hα-helixtrans-77.4-26.2169.9-64.7167.4000111.5V241 Y243V241-I245 HydrophobicContact CG1-CD1 3.68Å; V241-I245 HydrophobicContact CG1-CG1 4.36Å; V241-I245 VanDerWaalsContact O-CG1 3.31Å; V241-I245 WeakPolarHBondContact O-CG1 3.49Å; V241-I245 PolarHBondContact O-N 2.78Å; Y243-I245 VanDerWaalsContact C-N 3.31Å; Y243-I245 PolarHBondContact O-N 3.01Å
246A72.5Confident76.3Confident88 Ų88103.1 Ų103.173%0.72756%0.558SS**Hα-helixtrans-85-15.4-177.800000114.4N242 Y243N242-A246 WeakPolarHBondContact O-CB 3.12Å; N242-A246 PolarHBondContact O-N 3.19Å; Y243-A246 PolarHBondContact O-N 2.74Å; Y243-A246 VanDerWaalsContact O-N 3.12Å
247T64.8Low75.4Confident163 Ų163105.3 Ų105.3100%156%0.559SS**  trans-98.60175.554.60000111.7Y243 S244Y243-T247 PolarHBondContact O-N 2.81Å; Y243-T247 PolarHBondContact O-OG1 3Å; S244-T247 PolarHBondContact O-OG1 2.8Å

Retrieved 247 of 247 residues in 54.4 ms (Link to these results)

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