A0A087YMA2_POEFO Loading...

Derlin

Functional component of endoplasmic reticulum-associated degradation (ERAD) for misfolded lumenal proteins. May act by forming a channel that allows the retrotranslocation of misfolded proteins into the cytosol where they are ubiquitinated and degraded by the proteasome.

AlphaFold DB , UniProt , Accession A0A087YMA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 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
1M52.3Low83.7Confident223 Ų223101.3 Ų101.3100%1.09952%0.517SS*.  01250-74.8164.7171.700105.9
2S73.9Confident84.3Confident79 Ų7994.8 Ų94.855%0.55249%0.486SS*.  trans-92.5120.5-178.447.80000108.7I4 G5 D6S2-I4 PolarHBondContact O-N 3.42Å; S2-G5 WeakPolarHBondContact O-CA 3.34Å; S2-G5 PolarHBondContact O-N 3.44Å; S2-D6 PolarHBondContact O-N 2.66Å; S2-D6 VanDerWaalsContact O-N 3.11Å
3D84.9Confident84.8Confident143 Ų14394.1 Ų94.177%0.76548%0.483SS*.Hα-helixtrans-50.8-33.4-179.1-64.1-48.8000112.6W7D3-W7 VanDerWaalsContact O-CB 3.31Å; D3-W7 WeakPolarHBondContact O-CB 2.88Å; D3-W7 PolarHBondContact O-N 3.46Å
4I84.8Confident85.3Confident132 Ų13288.9 Ų88.968%0.67746%0.456SS*.Hα-helixtrans-69.6-40.5177.1-59171.8000111.9S2 D6 F8S2-I4 PolarHBondContact O-N 3.42Å; I4-D6 VanDerWaalsContact C-N 3.34Å; I4-F8 WeakPolarHBondContact O-CB 3.24Å; I4-F8 PolarHBondContact O-N 3.33Å
5G87.4Confident85.8Confident21 Ų2182.9 Ų82.922%0.21643%0.426CS..Hα-helixtrans-67.7-39.317900000111.4S2 F8 R9S2-G5 WeakPolarHBondContact O-CA 3.34Å; S2-G5 PolarHBondContact O-N 3.44Å; G5-F8 PolarHBondContact O-N 3.26Å; G5-R9 WeakPolarHBondContact O-CB 3.38Å; G5-R9 WeakPolarHBondContact O-CD 3.42Å; G5-R9 WeakPolarHBondContact O-CG 3.12Å; G5-R9 PolarHBondContact O-N 2.98Å
6D88.3Confident86.3Confident68 Ų6880.4 Ų80.436%0.36441%0.409SS..Hα-helixtrans-71.5-40.4177.5-62.8-35000111.3S2 I4 R9 S10S2-D6 PolarHBondContact O-N 2.66Å; S2-D6 VanDerWaalsContact O-N 3.11Å; I4-D6 VanDerWaalsContact C-N 3.34Å; D6-R9 PolarHBondContact O-N 2.88Å; D6-R9 IonicContact OD1-NH1 3.98Å; D6-S10 PolarHBondContact O-N 2.87Å
7W90.1Very high86.7Confident105 Ų10584.1 Ų84.140%0.39842%0.418SS..Hα-helixtrans-58.6-49.1169.816973.6000112.1D3 R9 S10 I11 F19 Y81D3-W7 VanDerWaalsContact O-CB 3.31Å; D3-W7 WeakPolarHBondContact O-CB 2.88Å; D3-W7 PolarHBondContact O-N 3.46Å; W7-R9 VanDerWaalsContact C-N 3.26Å; W7-R9 PolarHBondContact O-N 2.74Å; W7-S10 WeakPolarHBondContact O-CB 3.06Å; W7-S10 PolarHBondContact O-N 3.24Å; W7-S10 PolarHBondContact O-OG 3.09Å; W7-I11 HydrophobicContact CH2-CD1 4.03Å; W7-I11 HydrophobicContact CZ2-CD1 3.91Å; W7-I11 HydrophobicContact CZ3-CD1 4.44Å; W7-F19 AromaticContact CH2-CE1 3.93Å; W7-F19 HydrophobicContact CH2-CE1 3.93Å; W7-F19 HydrophobicContact CH2-CZ 4.27Å; W7-Y81 AromaticContact CZ2-CE2 3.93Å; W7-Y81 HydrophobicContact CZ2-CE2 3.93Å; W7-Y81 AromaticContact NE1-CZ 3.99Å; W7-Y81 PolarHBondContact NE1-OH 3.27Å
8F89.2Confident87.1Confident71 Ų7180.8 Ų80.831%0.31140%0.4SS..Hα-helixtrans-63.3-35-179.7-174.1-106.9000112.1I4 G5 S10 I11 R16 A20I4-F8 WeakPolarHBondContact O-CB 3.24Å; I4-F8 PolarHBondContact O-N 3.33Å; G5-F8 PolarHBondContact O-N 3.26Å; F8-S10 VanDerWaalsContact C-N 3.31Å; F8-S10 PolarHBondContact O-N 3.1Å; F8-I11 HydrophobicContact CD2-CD1 4.07Å; F8-I11 PolarHBondContact O-N 3.01Å; F8-R16 HydrophobicContact CD1-CG 4.15Å; F8-R16 HydrophobicContact CD2-CG 4.13Å; F8-R16 HydrophobicContact CE1-CG 3.59Å; F8-R16 HydrophobicContact CE2-CG 3.56Å; F8-R16 HydrophobicContact CG-CG 4.41Å; F8-R16 HydrophobicContact CZ-CG 3.27Å; F8-R16 WeakPolarHBondContact O-CD 3.37Å; F8-A20 HydrophobicContact CE2-CB 4.1Å; F8-A20 HydrophobicContact CZ-CB 3.92Å
9R89.3Confident87.5Confident184 Ų18477.7 Ų77.769%0.69438%0.384SS*.Hα-helixtrans-70.1-25.9174.6-74.1169.6-178.6174.7-1.5113.3G5 D6 W7 I11 R16G5-R9 WeakPolarHBondContact O-CB 3.38Å; G5-R9 WeakPolarHBondContact O-CD 3.42Å; G5-R9 WeakPolarHBondContact O-CG 3.12Å; G5-R9 PolarHBondContact O-N 2.98Å; D6-R9 PolarHBondContact O-N 2.88Å; D6-R9 IonicContact OD1-NH1 3.98Å; W7-R9 VanDerWaalsContact C-N 3.26Å; W7-R9 PolarHBondContact O-N 2.74Å; R9-I11 PolarHBondContact O-N 3.11Å; R9-R16 PolarHBondContact O-NH1 3.28Å
10S90Very high87.8Confident83 Ų8375.5 Ų75.558%0.5838%0.378SS*.Hα-helixtrans-69-21175.680.40000113.3D6 W7 F8D6-S10 PolarHBondContact O-N 2.87Å; W7-S10 WeakPolarHBondContact O-CB 3.06Å; W7-S10 PolarHBondContact O-N 3.24Å; W7-S10 PolarHBondContact O-OG 3.09Å; F8-S10 VanDerWaalsContact C-N 3.31Å; F8-S10 PolarHBondContact O-N 3.1Å
11I90.4Very high88Confident5 Ų573.2 Ų73.23%0.02637%0.372CS..SBendtrans-70.4133.4177.8-47.9-178000109.3W7 F8 R9 T15 R16 Y81W7-I11 HydrophobicContact CH2-CD1 4.03Å; W7-I11 HydrophobicContact CZ2-CD1 3.91Å; W7-I11 HydrophobicContact CZ3-CD1 4.44Å; F8-I11 HydrophobicContact CD2-CD1 4.07Å; F8-I11 PolarHBondContact O-N 3.01Å; R9-I11 PolarHBondContact O-N 3.11Å; I11-T15 HydrophobicContact CG2-CG2 3.94Å; I11-R16 HydrophobicContact CB-CB 3.9Å; I11-R16 HydrophobicContact CB-CG 4.22Å; I11-R16 HydrophobicContact CG2-CB 3.79Å; I11-Y81 HydrophobicContact CD1-CD2 4.07Å; I11-Y81 HydrophobicContact CD1-CE2 3.63Å; I11-Y81 HydrophobicContact CG1-CE2 3.85Å; I11-Y81 HydrophobicContact CG2-CE2 4.4Å
12P91.8Very high89.8Confident23 Ų2362.6 Ų62.615%0.14932%0.319CS..  trans-52.9149.5173.8-27.235.9000112.6I14 T15 R16 T85 E88 T89P12-I14 PolarHBondContact O-N 3.34Å; P12-T15 PolarHBondContact O-N 2.96Å; P12-R16 WeakPolarHBondContact O-CB 3.5Å; P12-R16 PolarHBondContact O-N 3.41Å; P12-T85 HydrophobicContact CG-CG2 3.93Å; P12-E88 HydrophobicContact CB-CB 4.13Å; P12-E88 HydrophobicContact CB-CG 3.74Å; P12-E88 VanDerWaalsContact CB-OE1 3.31Å; P12-E88 WeakPolarHBondContact CB-OE1 3.5Å; P12-E88 VanDerWaalsContact CB-OE2 3.3Å; P12-E88 WeakPolarHBondContact CB-OE2 3.41Å; P12-T89 HydrophobicContact CB-CG2 4.34Å; P12-T89 HydrophobicContact CG-CG2 3.33Å
13L89.9Confident90.7Very high86 Ų8662 Ų6245%0.4531%0.309SS..Hα-helixtrans-58.4-47.1-164.2-171.8146.6000112.7Y17 E88L13-Y17 HydrophobicContact CD2-CD2 3.9Å; L13-Y17 HydrophobicContact CD2-CE2 3.73Å; L13-Y17 HydrophobicContact CG-CD2 4.24Å; L13-Y17 HydrophobicContact CG-CE2 3.81Å; L13-Y17 WeakPolarHBondContact O-CD2 3.34Å; L13-Y17 PolarHBondContact O-N 2.91Å; L13-E88 PolarHBondContact N-OE1 3.23Å
14I92.1Very high90.9Very high21 Ų2157.3 Ų57.311%0.10829%0.29CS..Hα-helixtrans-75.1-47.7-173.5-62.3157.4000109.8P12 R16 Y17 W18 E88 P96 Y99 V100 L103P12-I14 PolarHBondContact O-N 3.34Å; I14-R16 PolarHBondContact O-N 3.34Å; I14-Y17 PolarHBondContact O-N 3.41Å; I14-W18 PolarHBondContact O-N 3.34Å; I14-E88 PolarHBondContact N-OE1 3.05Å; I14-P96 HydrophobicContact CD1-CB 3.92Å; I14-Y99 HydrophobicContact CB-CD1 3.94Å; I14-Y99 HydrophobicContact CB-CE1 3.79Å; I14-Y99 HydrophobicContact CD1-CD1 3.66Å; I14-Y99 HydrophobicContact CD1-CE1 4.4Å; I14-Y99 HydrophobicContact CG1-CD1 4.42Å; I14-Y99 HydrophobicContact CG2-CD1 3.85Å; I14-Y99 HydrophobicContact CG2-CE1 3.52Å; I14-V100 HydrophobicContact CD1-CG2 3.43Å; I14-V100 VanDerWaalsContact CD1-CG2 3.43Å; I14-V100 HydrophobicContact CG1-CG2 4.06Å; I14-V100 HydrophobicContact CG2-CG2 4.44Å; I14-L103 HydrophobicContact CG2-CD1 3.67Å
15T93.1Very high91.1Very high0 Ų052.3 Ų52.30%027%0.266CS..Hα-helixtrans-56.8-39.9175.4-61.60000111.5I11 P12 W18 F19 S84 E88I11-T15 HydrophobicContact CG2-CG2 3.94Å; P12-T15 PolarHBondContact O-N 2.96Å; T15-W18 PolarHBondContact O-N 2.98Å; T15-F19 WeakPolarHBondContact O-CB 3.4Å; T15-F19 PolarHBondContact O-N 3.37Å; T15-S84 WeakPolarHBondContact CB-OG 3.39Å; T15-S84 WeakPolarHBondContact CG2-OG 3.43Å; T15-S84 PolarHBondContact OG1-O 3.49Å; T15-S84 PolarHBondContact OG1-OG 3.38Å; T15-E88 VanDerWaalsContact CB-OE2 3.25Å; T15-E88 WeakPolarHBondContact CB-OE2 3.35Å; T15-E88 PolarHBondContact N-OE2 3.22Å; T15-E88 PolarHBondContact OG1-OE2 3.22Å
16R94.1Very high91Very high43 Ų4351.5 Ų51.516%0.16226%0.257CS..Hα-helixtrans-61.2-48.7179.4-177.1173.366.4-1591.3112.4F8 R9 I11 P12 I14 A20F8-R16 HydrophobicContact CD1-CG 4.15Å; F8-R16 HydrophobicContact CD2-CG 4.13Å; F8-R16 HydrophobicContact CE1-CG 3.59Å; F8-R16 HydrophobicContact CE2-CG 3.56Å; F8-R16 HydrophobicContact CG-CG 4.41Å; F8-R16 HydrophobicContact CZ-CG 3.27Å; F8-R16 WeakPolarHBondContact O-CD 3.37Å; R9-R16 PolarHBondContact O-NH1 3.28Å; I11-R16 HydrophobicContact CB-CB 3.9Å; I11-R16 HydrophobicContact CB-CG 4.22Å; I11-R16 HydrophobicContact CG2-CB 3.79Å; P12-R16 WeakPolarHBondContact O-CB 3.5Å; P12-R16 PolarHBondContact O-N 3.41Å; I14-R16 PolarHBondContact O-N 3.34Å; R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.38Å
17Y93.3Very high91Very high143 Ų14354.1 Ų54.156%0.56127%0.265SS*.Hα-helixtrans-68.5-39.9178.7-72.1-63000111.6L13 I14 A20 A21L13-Y17 HydrophobicContact CD2-CD2 3.9Å; L13-Y17 HydrophobicContact CD2-CE2 3.73Å; L13-Y17 HydrophobicContact CG-CD2 4.24Å; L13-Y17 HydrophobicContact CG-CE2 3.81Å; L13-Y17 WeakPolarHBondContact O-CD2 3.34Å; L13-Y17 PolarHBondContact O-N 2.91Å; I14-Y17 PolarHBondContact O-N 3.41Å; Y17-A20 PolarHBondContact O-N 3.2Å; Y17-A21 VanDerWaalsContact O-CB 3.23Å; Y17-A21 WeakPolarHBondContact O-CB 3.23Å; Y17-A21 PolarHBondContact O-N 3.18Å
18W93.9Very high90.7Very high25 Ų2552.4 Ų52.410%0.09526%0.263CS..Hα-helixtrans-63-49.4176.9-176.825000111.7I14 T15 A20 A21 S22 L80 L103 L126 I127 V130I14-W18 PolarHBondContact O-N 3.34Å; T15-W18 PolarHBondContact O-N 2.98Å; W18-A20 PolarHBondContact O-N 3.2Å; W18-A21 PolarHBondContact O-N 3.28Å; W18-S22 WeakPolarHBondContact O-CB 3.49Å; W18-S22 PolarHBondContact O-N 3.14Å; W18-S22 PolarHBondContact O-OG 2.9Å; W18-L80 HydrophobicContact CD2-CD1 3.78Å; W18-L80 HydrophobicContact CD2-CD2 4Å; W18-L80 HydrophobicContact CD2-CG 3.93Å; W18-L80 VanDerWaalsContact CE2-CD1 3.47Å; W18-L80 HydrophobicContact CE3-CD1 4.23Å; W18-L80 HydrophobicContact CE3-CD2 3.85Å; W18-L80 HydrophobicContact CE3-CG 3.84Å; W18-L80 HydrophobicContact CG-CD1 4.24Å; W18-L80 HydrophobicContact CG-CD2 4.43Å; W18-L80 HydrophobicContact CH2-CD1 4.14Å; W18-L80 HydrophobicContact CH2-CG 3.87Å; W18-L80 HydrophobicContact CZ2-CD1 3.67Å; W18-L80 HydrophobicContact CZ2-CG 3.94Å; W18-L80 HydrophobicContact CZ3-CD1 4.4Å; W18-L80 HydrophobicContact CZ3-CD2 4.25Å; W18-L80 HydrophobicContact CZ3-CG 3.82Å; W18-L103 HydrophobicContact CE3-CD2 4.37Å; W18-L103 HydrophobicContact CH2-CD2 4.41Å; W18-L103 HydrophobicContact CZ3-CD2 4.04Å; W18-L126 HydrophobicContact CH2-CD2 4.49Å; W18-L126 HydrophobicContact CH2-CG 4.23Å; W18-L126 HydrophobicContact CZ2-CB 4.44Å; W18-L126 HydrophobicContact CZ2-CD2 3.6Å; W18-L126 HydrophobicContact CZ2-CG 3.73Å; W18-I127 HydrophobicContact CH2-CG1 4.17Å; W18-I127 HydrophobicContact CZ2-CG1 3.96Å; W18-V130 HydrophobicContact CH2-CB 4.43Å; W18-V130 HydrophobicContact CH2-CG2 3.8Å; W18-V130 HydrophobicContact CZ3-CG2 4Å
19F93.9Very high90.2Very high22 Ų2249.9 Ų49.910%0.09626%0.257CS..Hα-helixtrans-59-46.4176.4178.5-97.2000112.1W7 T15 A21 S22 I23 L77 L80 Y81W7-F19 AromaticContact CH2-CE1 3.93Å; W7-F19 HydrophobicContact CH2-CE1 3.93Å; W7-F19 HydrophobicContact CH2-CZ 4.27Å; T15-F19 WeakPolarHBondContact O-CB 3.4Å; T15-F19 PolarHBondContact O-N 3.37Å; F19-A21 VanDerWaalsContact C-N 3.34Å; F19-A21 PolarHBondContact O-N 3.26Å; F19-S22 PolarHBondContact O-N 3.26Å; F19-I23 HydrophobicContact CD1-CD1 3.89Å; F19-I23 HydrophobicContact CE1-CD1 3.39Å; F19-I23 HydrophobicContact CE2-CD1 4.38Å; F19-I23 HydrophobicContact CZ-CD1 3.68Å; F19-I23 WeakPolarHBondContact O-CG1 3.45Å; F19-I23 PolarHBondContact O-N 2.81Å; F19-L77 HydrophobicContact CD2-CD1 4.1Å; F19-L77 HydrophobicContact CD2-CG 4.05Å; F19-L77 HydrophobicContact CE2-CD1 4.07Å; F19-L77 HydrophobicContact CE2-CD2 3.88Å; F19-L77 HydrophobicContact CE2-CG 3.55Å; F19-L77 HydrophobicContact CZ-CD2 4.1Å; F19-L77 HydrophobicContact CZ-CG 4.27Å; F19-L80 HydrophobicContact CB-CD2 3.8Å; F19-L80 HydrophobicContact CD2-CD2 4.1Å; F19-L80 HydrophobicContact CG-CD2 4.47Å; F19-Y81 HydrophobicContact CE2-CD2 4.5Å; F19-Y81 HydrophobicContact CE2-CG 4.42Å
20A93.3Very high89.8Confident32 Ų3248.4 Ų48.426%0.26426%0.256SS..Hα-helixtrans-62.5-41.6177.900000112F8 R16 Y17 W18 I23 A24F8-A20 HydrophobicContact CE2-CB 4.1Å; F8-A20 HydrophobicContact CZ-CB 3.92Å; R16-A20 VanDerWaalsContact O-CB 3.24Å; R16-A20 WeakPolarHBondContact O-CB 3.43Å; R16-A20 PolarHBondContact O-N 3.38Å; Y17-A20 PolarHBondContact O-N 3.2Å; W18-A20 PolarHBondContact O-N 3.2Å; A20-I23 PolarHBondContact O-N 3.29Å; A20-A24 WeakPolarHBondContact O-CB 3.16Å; A20-A24 PolarHBondContact O-N 2.62Å
21A91.6Very high89.5Confident29 Ų2949.4 Ų49.424%0.2425%0.254CS..Hα-helixtrans-65.3-40.617700000111.9Y17 W18 F19 I23 A24 V25 L61Y17-A21 VanDerWaalsContact O-CB 3.23Å; Y17-A21 WeakPolarHBondContact O-CB 3.23Å; Y17-A21 PolarHBondContact O-N 3.18Å; W18-A21 PolarHBondContact O-N 3.28Å; F19-A21 VanDerWaalsContact C-N 3.34Å; F19-A21 PolarHBondContact O-N 3.26Å; A21-I23 PolarHBondContact O-N 3.04Å; A21-A24 PolarHBondContact O-N 3.37Å; A21-V25 WeakPolarHBondContact O-CB 3.38Å; A21-V25 WeakPolarHBondContact O-CG2 3.38Å; A21-V25 PolarHBondContact O-N 2.82Å; A21-L61 HydrophobicContact CB-CD1 4.01Å; A21-L61 HydrophobicContact CB-CD2 3.81Å; A21-L61 HydrophobicContact CB-CG 4.47Å
22S90.8Very high88.8Confident0 Ų052 Ų520%028%0.283CS..Hα-helixtrans-64.4-17.3174.5-70.20000113.9W18 F19 P26 Y73W18-S22 WeakPolarHBondContact O-CB 3.49Å; W18-S22 PolarHBondContact O-N 3.14Å; W18-S22 PolarHBondContact O-OG 2.9Å; F19-S22 PolarHBondContact O-N 3.26Å; S22-P26 WeakPolarHBondContact O-CD 3.36Å; S22-P26 WeakPolarHBondContact O-CG 3.03Å; S22-Y73 PolarHBondContact O-OH 3.47Å
23I92.2Very high87.9Confident65 Ų6556.9 Ų56.933%0.33331%0.307SS..Hα-helixtrans-92.4-46.1170.9-63.7169.7000111.2F19 A20 A21 V25 P26 F27 Y73 L77F19-I23 HydrophobicContact CD1-CD1 3.89Å; F19-I23 HydrophobicContact CE1-CD1 3.39Å; F19-I23 HydrophobicContact CE2-CD1 4.38Å; F19-I23 HydrophobicContact CZ-CD1 3.68Å; F19-I23 WeakPolarHBondContact O-CG1 3.45Å; F19-I23 PolarHBondContact O-N 2.81Å; A20-I23 PolarHBondContact O-N 3.29Å; A21-I23 PolarHBondContact O-N 3.04Å; I23-V25 PolarHBondContact O-N 3.3Å; I23-P26 WeakPolarHBondContact O-CD 3.02Å; I23-F27 WeakPolarHBondContact O-CB 3.42Å; I23-F27 PolarHBondContact O-N 3.29Å; I23-Y73 WeakPolarHBondContact CA-OH 3.47Å; I23-L77 HydrophobicContact CD1-CD2 4Å; I23-L77 HydrophobicContact CG1-CD1 3.88Å; I23-L77 HydrophobicContact CG1-CD2 3.82Å; I23-L77 HydrophobicContact CG1-CG 4.46Å
24A90.6Very high87Confident45 Ų4555.5 Ų55.537%0.37230%0.302SS..Hα-helixtrans-63.2-43.8-174.800000112A20 A21 F27 I28A20-A24 WeakPolarHBondContact O-CB 3.16Å; A20-A24 PolarHBondContact O-N 2.62Å; A21-A24 PolarHBondContact O-N 3.37Å; A24-F27 PolarHBondContact O-N 3.33Å; A24-I28 WeakPolarHBondContact O-CD1 3.23Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.24Å; A24-I28 PolarHBondContact O-N 2.86Å
25V87.6Confident85.9Confident27 Ų2758.8 Ų58.816%0.16432%0.319CS..Hα-helixtrans-66.3-48.7-175.1174.90000112.3A21 I23 F27 I28 G29 L39 L61 Y62A21-V25 WeakPolarHBondContact O-CB 3.38Å; A21-V25 WeakPolarHBondContact O-CG2 3.38Å; A21-V25 PolarHBondContact O-N 2.82Å; I23-V25 PolarHBondContact O-N 3.3Å; V25-F27 VanDerWaalsContact C-N 3.28Å; V25-F27 PolarHBondContact O-N 3.36Å; V25-I28 PolarHBondContact O-N 3.37Å; V25-G29 PolarHBondContact O-N 2.91Å; V25-L39 HydrophobicContact CG1-CD2 4.35Å; V25-L61 HydrophobicContact CB-CB 4.14Å; V25-L61 HydrophobicContact CG1-CB 4.33Å; V25-L61 HydrophobicContact CG2-CB 3.95Å; V25-L61 HydrophobicContact CG2-CD1 4.31Å; V25-Y62 HydrophobicContact CG1-CD2 4.13Å; V25-Y62 HydrophobicContact CG1-CG 4.46Å
26P86.6Confident84.6Confident5 Ų563.1 Ų63.13%0.03234%0.338CS..Hα-helixtrans-61.1-35.3172.7-26.236.6000113.5S22 I23 G29 K30 V65 Y73S22-P26 WeakPolarHBondContact O-CD 3.36Å; S22-P26 WeakPolarHBondContact O-CG 3.03Å; I23-P26 WeakPolarHBondContact O-CD 3.02Å; P26-G29 PolarHBondContact O-N 3.26Å; P26-K30 PolarHBondContact O-N 3Å; P26-V65 HydrophobicContact CB-CG2 3.9Å; P26-Y73 HydrophobicContact CG-CE2 4.09Å
27F86.6Confident83.2Confident122 Ų12269.3 Ų69.354%0.53536%0.362SS..Hα-helixtrans-66.7-44.9178.8-164-102.8000111.8I23 A24 V25 G29 K30 L31I23-F27 WeakPolarHBondContact O-CB 3.42Å; I23-F27 PolarHBondContact O-N 3.29Å; A24-F27 PolarHBondContact O-N 3.33Å; V25-F27 VanDerWaalsContact C-N 3.28Å; V25-F27 PolarHBondContact O-N 3.36Å; F27-G29 VanDerWaalsContact C-N 3.29Å; F27-G29 PolarHBondContact O-N 3.46Å; F27-K30 PolarHBondContact O-N 3.13Å; F27-K30 VanDerWaalsContact O-N 3.14Å; F27-L31 HydrophobicContact CD1-CD1 3.81Å; F27-L31 HydrophobicContact CD1-CG 4.29Å; F27-L31 HydrophobicContact CE1-CD1 3.71Å; F27-L31 HydrophobicContact CE1-CD2 4.46Å; F27-L31 HydrophobicContact CE1-CG 4.19Å; F27-L31 WeakPolarHBondContact O-CG 3.48Å; F27-L31 PolarHBondContact O-N 2.83Å
28I85.3Confident81.9Confident70 Ų7065.6 Ų65.636%0.35935%0.352SS..Hα-helixtrans-58.8-42.4173.3-69.1165.3000110.7A24 V25 L31 G32 L33 V34A24-I28 WeakPolarHBondContact O-CD1 3.23Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.24Å; A24-I28 PolarHBondContact O-N 2.86Å; V25-I28 PolarHBondContact O-N 3.37Å; I28-L31 PolarHBondContact O-N 3.21Å; I28-G32 PolarHBondContact O-N 3.3Å; I28-L33 HydrophobicContact CG2-CB 3.97Å; I28-L33 HydrophobicContact CG2-CD1 4.27Å; I28-L33 PolarHBondContact O-N 3.23Å; I28-V34 HydrophobicContact CG2-CG2 3.94Å
29G79.1Confident80.5Confident18 Ų1865 Ų6519%0.18635%0.35CS..Hα-helixtrans-62.6-39.717500000113V25 P26 F27 G32V25-G29 PolarHBondContact O-N 2.91Å; P26-G29 PolarHBondContact O-N 3.26Å; F27-G29 VanDerWaalsContact C-N 3.29Å; F27-G29 PolarHBondContact O-N 3.46Å; G29-G32 PolarHBondContact O-N 3.48Å
30K80.8Confident79.4Confident153 Ų15364.5 Ų64.567%0.66535%0.348SS*.Hα-helixtrans-68.2-33.5177.2-165.9-169.6-178.1-175.40112.6P26 F27 G32P26-K30 PolarHBondContact O-N 3Å; F27-K30 PolarHBondContact O-N 3.13Å; F27-K30 VanDerWaalsContact O-N 3.14Å; K30-G32 PolarHBondContact O-N 3.48Å
31L83Confident77.9Confident104 Ų10463 Ų6355%0.54534%0.336SS..THydrogen-bonded Turntrans-70.8-6.6175.2-68.9174.9000113.1F27 I28 L33F27-L31 HydrophobicContact CD1-CD1 3.81Å; F27-L31 HydrophobicContact CD1-CG 4.29Å; F27-L31 HydrophobicContact CE1-CD1 3.71Å; F27-L31 HydrophobicContact CE1-CD2 4.46Å; F27-L31 HydrophobicContact CE1-CG 4.19Å; F27-L31 WeakPolarHBondContact O-CG 3.48Å; F27-L31 PolarHBondContact O-N 2.83Å; I28-L31 PolarHBondContact O-N 3.21Å; L31-L33 HydrophobicContact CB-CD1 4.16Å; L31-L33 HydrophobicContact CB-CG 3.97Å; L31-L33 HydrophobicContact CD1-CD1 4.12Å; L31-L33 PolarHBondContact O-N 3.2Å
32G75.9Confident76.5Confident60 Ų6063.8 Ų63.862%0.61933%0.334SS*.THydrogen-bonded Turntrans72.112.9-179.600000114I28 G29 K30 V34I28-G32 PolarHBondContact O-N 3.3Å; G29-G32 PolarHBondContact O-N 3.48Å; K30-G32 PolarHBondContact O-N 3.48Å; G32-V34 VanDerWaalsContact C-N 3.25Å; G32-V34 PolarHBondContact O-N 3.19Å
33L72.4Confident74.9Confident125 Ų12565 Ų6565%0.65434%0.341SS*.SBendtrans-69.1-26179.5-65.9174.3000112.3I28 L31I28-L33 HydrophobicContact CG2-CB 3.97Å; I28-L33 HydrophobicContact CG2-CD1 4.27Å; I28-L33 PolarHBondContact O-N 3.23Å; L31-L33 HydrophobicContact CB-CD1 4.16Å; L31-L33 HydrophobicContact CB-CG 3.97Å; L31-L33 HydrophobicContact CD1-CD1 4.12Å; L31-L33 PolarHBondContact O-N 3.2Å
34V71.4Confident73.2Confident57 Ų5769.5 Ų69.535%0.34536%0.361SS..SBendtrans-135.1133.5179.2-178.80000108.7I28 G32 F36 N38 L39I28-V34 HydrophobicContact CG2-CG2 3.94Å; G32-V34 VanDerWaalsContact C-N 3.25Å; G32-V34 PolarHBondContact O-N 3.19Å; V34-F36 PolarHBondContact O-N 2.88Å; V34-N38 HydrophobicContact CG1-CB 4.29Å; V34-L39 HydrophobicContact CG1-CD2 4.15Å; V34-L39 HydrophobicContact CG1-CG 4.19Å
35D69.5Low71.6Confident89 Ų8970.7 Ų70.748%0.47636%0.361SS..  trans-60.2128175.1-172.1-17.6000110.5R37 N38D35-R37 PolarHBondContact O-N 3.3Å; D35-R37 VanDerWaalsContact O-N 3.1Å; D35-R37 PolarHBondContact OD1-N 3.15Å; D35-N38 WeakPolarHBondContact O-CB 3.46Å; D35-N38 PolarHBondContact O-N 3.21Å
36F65.4Low70.1Confident91 Ų9170.9 Ų70.940%0.39936%0.362SS..Hα-helixtrans-47.5-35.9174.3173.5-120.3000112.9V34 N38 L39 M40 Y62 P64V34-F36 PolarHBondContact O-N 2.88Å; F36-N38 PolarHBondContact O-N 3.11Å; F36-L39 PolarHBondContact O-N 3.49Å; F36-L39 VanDerWaalsContact O-N 3.11Å; F36-M40 HydrophobicContact CD1-CE 3.15Å; F36-M40 HydrophobicContact CD1-SD 4.48Å; F36-M40 HydrophobicContact CD2-CE 3.92Å; F36-M40 HydrophobicContact CE1-CE 2.94Å; F36-M40 HydrophobicContact CE1-SD 3.8Å; F36-M40 HydrophobicContact CE2-CE 3.79Å; F36-M40 HydrophobicContact CE2-SD 4.14Å; F36-M40 HydrophobicContact CG-CE 3.65Å; F36-M40 HydrophobicContact CZ-CE 3.29Å; F36-M40 HydrophobicContact CZ-SD 3.58Å; F36-M40 VanDerWaalsContact CZ-SD 3.58Å; F36-M40 WeakPolarHBondContact O-CE 3.42Å; F36-Y62 AromaticContact CD2-CE1 3.59Å; F36-Y62 HydrophobicContact CD2-CE1 3.59Å; F36-Y62 AromaticContact CD2-CZ 3.5Å; F36-Y62 WeakPolarHBondContact CD2-OH 3.44Å; F36-Y62 AromaticContact CE2-CE1 3.39Å; F36-Y62 HydrophobicContact CE2-CE1 3.39Å; F36-Y62 AromaticContact CE2-CZ 3.64Å; F36-Y62 WeakPolarHBondContact CE2-OH 3.48Å; F36-P64 HydrophobicContact CE2-CB 4.13Å
37R64.1Low68.6Low173 Ų17376.8 Ų76.865%0.65339%0.388SS*.Hα-helixtrans-64.1-24178.2-66.3179.2178.8-167.60.6113.2D35 F42 R55D35-R37 PolarHBondContact O-N 3.3Å; D35-R37 VanDerWaalsContact O-N 3.1Å; D35-R37 PolarHBondContact OD1-N 3.15Å; R37-F42 HydrophobicContact CB-CE2 4.42Å; R37-F42 WeakPolarHBondContact O-CE2 3.11Å; R37-R55 PolarHBondContact O-NH1 3.49Å
38N65.4Low67.1Low66 Ų6675.6 Ų75.635%0.35339%0.394SS..Hα-helixtrans-83.1-16.9177.3-68.7-34.1000113.3V34 D35 F36 R55V34-N38 HydrophobicContact CG1-CB 4.29Å; D35-N38 WeakPolarHBondContact O-CB 3.46Å; D35-N38 PolarHBondContact O-N 3.21Å; F36-N38 PolarHBondContact O-N 3.11Å; N38-R55 PolarHBondContact OD1-NH2 2.87Å
39L65.4Low65.6Low12 Ų1280.5 Ų80.56%0.06341%0.408CS..Hα-helixtrans-91.1-15.6-179-60.1173.5000112.6V25 V34 F36 T58 A59 Y62V25-L39 HydrophobicContact CG1-CD2 4.35Å; V34-L39 HydrophobicContact CG1-CD2 4.15Å; V34-L39 HydrophobicContact CG1-CG 4.19Å; F36-L39 PolarHBondContact O-N 3.49Å; F36-L39 VanDerWaalsContact O-N 3.11Å; L39-T58 HydrophobicContact CD2-CG2 4.1Å; L39-A59 WeakPolarHBondContact O-CA 3.49Å; L39-A59 PolarHBondContact O-N 2.83Å; L39-Y62 HydrophobicContact CB-CD1 3.96Å; L39-Y62 HydrophobicContact CB-CD2 4.09Å; L39-Y62 HydrophobicContact CB-CG 3.75Å; L39-Y62 HydrophobicContact CD1-CD2 3.49Å; L39-Y62 VanDerWaalsContact CD1-CD2 3.49Å; L39-Y62 HydrophobicContact CD1-CE2 3.66Å; L39-Y62 HydrophobicContact CD1-CG 4.06Å; L39-Y62 HydrophobicContact CG-CD2 4.34Å; L39-Y62 HydrophobicContact CG-CG 4.46Å
40M70.2Confident64.5Low11 Ų1187.8 Ų87.85%0.05444%0.435CS..SBendtrans-92.1131.2171.9-70.3178.3-78.200111.6F36 F42 R55 R120 L121F36-M40 HydrophobicContact CD1-CE 3.15Å; F36-M40 HydrophobicContact CD1-SD 4.48Å; F36-M40 HydrophobicContact CD2-CE 3.92Å; F36-M40 HydrophobicContact CE1-CE 2.94Å; F36-M40 HydrophobicContact CE1-SD 3.8Å; F36-M40 HydrophobicContact CE2-CE 3.79Å; F36-M40 HydrophobicContact CE2-SD 4.14Å; F36-M40 HydrophobicContact CG-CE 3.65Å; F36-M40 HydrophobicContact CZ-CE 3.29Å; F36-M40 HydrophobicContact CZ-SD 3.58Å; F36-M40 VanDerWaalsContact CZ-SD 3.58Å; F36-M40 WeakPolarHBondContact O-CE 3.42Å; M40-F42 HydrophobicContact CB-CD2 4.16Å; M40-F42 HydrophobicContact CB-CE2 3.81Å; M40-F42 HydrophobicContact CB-CZ 4.45Å; M40-F42 HydrophobicContact CE-CE2 4.32Å; M40-F42 HydrophobicContact CE-CZ 4.36Å; M40-F42 WeakPolarHBondContact O-CD2 3.18Å; M40-F42 PolarHBondContact O-N 2.83Å; M40-R55 PolarHBondContact O-NH1 3.31Å; M40-R120 HydrophobicContact CB-CB 4.35Å; M40-R120 HydrophobicContact CG-CB 4.21Å; M40-R120 HydrophobicContact SD-CB 4.06Å; M40-L121 HydrophobicContact CG-CD2 4.19Å
41L61.3Low63Low0 Ų086.8 Ų86.80%043%0.433CS..  51.739.287.8-79.5105.7000120.8P56 A59 L115 M119 R120 L122L41-P56 HydrophobicContact CD1-CB 4.16Å; L41-P56 HydrophobicContact CD1-CG 4.13Å; L41-A59 HydrophobicContact CB-CB 4.05Å; L41-A59 HydrophobicContact CD1-CB 4.06Å; L41-L115 HydrophobicContact CD2-CD2 3.61Å; L41-L115 HydrophobicContact CD2-CG 4Å; L41-L115 HydrophobicContact CG-CD2 4.46Å; L41-M119 WeakPolarHBondContact CB-O 3.27Å; L41-R120 WeakPolarHBondContact CA-O 3.32Å; L41-L122 HydrophobicContact CD1-CD1 4.11Å
42F62.1Low62Low47 Ų4783.8 Ų83.821%0.20642%0.416CS..  trans-118.9107.7174.9-72.1-73.5000112.3R37 M40 E44 L45 V46R37-F42 HydrophobicContact CB-CE2 4.42Å; R37-F42 WeakPolarHBondContact O-CE2 3.11Å; M40-F42 HydrophobicContact CB-CD2 4.16Å; M40-F42 HydrophobicContact CB-CE2 3.81Å; M40-F42 HydrophobicContact CB-CZ 4.45Å; M40-F42 HydrophobicContact CE-CE2 4.32Å; M40-F42 HydrophobicContact CE-CZ 4.36Å; M40-F42 WeakPolarHBondContact O-CD2 3.18Å; M40-F42 PolarHBondContact O-N 2.83Å; F42-E44 PolarHBondContact O-N 2.89Å; F42-L45 HydrophobicContact CB-CB 4.29Å; F42-L45 HydrophobicContact CB-CD1 3.85Å; F42-L45 HydrophobicContact CB-CG 4.39Å; F42-L45 HydrophobicContact CD2-CD1 4.41Å; F42-L45 HydrophobicContact CG-CD1 4.28Å; F42-L45 PolarHBondContact O-N 3.01Å; F42-V46 WeakPolarHBondContact O-CG2 3.03Å; F42-V46 PolarHBondContact O-N 2.93Å
43P57.4Low61.7Low24 Ų2488 Ų8816%0.15642%0.424CS..Hα-helixtrans-59.5-41-175.3-25.434.3000114L45 V46 F47 L115 D118P43-L45 VanDerWaalsContact C-N 3.26Å; P43-L45 PolarHBondContact O-N 3.35Å; P43-V46 PolarHBondContact O-N 3.03Å; P43-F47 WeakPolarHBondContact O-CD2 3.15Å; P43-F47 PolarHBondContact O-N 3.24Å; P43-L115 HydrophobicContact CB-CD2 4.12Å; P43-L115 HydrophobicContact CG-CD2 4.38Å; P43-D118 WeakPolarHBondContact CD-OD1 3.39Å; P43-D118 VanDerWaalsContact CG-OD1 3.23Å; P43-D118 WeakPolarHBondContact CG-OD1 3.33Å
44E56.9Low61.6Low161 Ų16188.7 Ų88.775%0.75242%0.418SS*.Hα-helixtrans-60.1-36-179.1-65.1172.3175.500112.3F42 S48F42-E44 PolarHBondContact O-N 2.89Å; E44-S48 WeakPolarHBondContact O-CB 3.22Å; E44-S48 PolarHBondContact O-N 3.27Å; E44-S48 PolarHBondContact O-OG 3.37Å
45L56.5Low61.8Low69 Ų6986.2 Ų86.236%0.36140%0.402SS..Hα-helixtrans-81.1-25.2-178.2-73.4164.9000112.9F42 P43F42-L45 HydrophobicContact CB-CB 4.29Å; F42-L45 HydrophobicContact CB-CD1 3.85Å; F42-L45 HydrophobicContact CB-CG 4.39Å; F42-L45 HydrophobicContact CD2-CD1 4.41Å; F42-L45 HydrophobicContact CG-CD1 4.28Å; F42-L45 PolarHBondContact O-N 3.01Å; P43-L45 VanDerWaalsContact C-N 3.26Å; P43-L45 PolarHBondContact O-N 3.35Å
46V56.7Low62.2Low32 Ų3282.7 Ų82.719%0.19438%0.384CS..Hα-helixtrans-70.5-47.7178.61740000110.5F42 P43 F50 L115F42-V46 WeakPolarHBondContact O-CG2 3.03Å; F42-V46 PolarHBondContact O-N 2.93Å; P43-V46 PolarHBondContact O-N 3.03Å; V46-F50 PolarHBondContact O-N 3.11Å; V46-L115 HydrophobicContact CB-CD2 4.35Å; V46-L115 HydrophobicContact CG1-CD2 4.43Å; V46-L115 HydrophobicContact CG2-CD2 4.31Å
47F55.3Low62.9Low129 Ų12981.4 Ų81.457%0.56638%0.384SS*.Hα-helixtrans-84-33.5-177.1-69.5-74.6000113.8P43 L115P43-F47 WeakPolarHBondContact O-CD2 3.15Å; P43-F47 PolarHBondContact O-N 3.24Å; F47-L115 HydrophobicContact CE2-CD1 4.18Å; F47-L115 HydrophobicContact CE2-CD2 4.24Å; F47-L115 HydrophobicContact CZ-CD1 4.19Å
48S54.8Low63.6Low97 Ų9774.5 Ų74.568%0.67836%0.361SS*.Hα-helixtrans-79-21.2-173.8-49.50000114.1E44E44-S48 WeakPolarHBondContact O-CB 3.22Å; E44-S48 PolarHBondContact O-N 3.27Å; E44-S48 PolarHBondContact O-OG 3.37Å
49R55.1Low64.3Low172 Ų17271.4 Ų71.465%0.64934%0.344SS*.Hα-helixtrans-124.6-9-176.5-73.8-124.6-164.9-167.23.9115.7Q51R49-Q51 WeakPolarHBondContact O-CB 3.48Å; R49-Q51 VanDerWaalsContact O-CG 3.24Å; R49-Q51 WeakPolarHBondContact O-CG 3.48Å; R49-Q51 PolarHBondContact O-N 3.26Å
50F54.3Low65.2Low171 Ų17171 Ų7175%0.7534%0.342SS*.SBendtrans47.33.7-178.2-79.4-82.2000116.7V46V46-F50 PolarHBondContact O-N 3.11Å
51Q50.8Low65.8Low132 Ų13272 Ų7262%0.61735%0.348SS*.  trans-99.7-2.6-165.6-85.6174.5-17.200113R49 W54R49-Q51 WeakPolarHBondContact O-CB 3.48Å; R49-Q51 VanDerWaalsContact O-CG 3.24Å; R49-Q51 WeakPolarHBondContact O-CG 3.48Å; R49-Q51 PolarHBondContact O-N 3.26Å; Q51-W54 WeakPolarHBondContact O-CH2 3.37Å; Q51-W54 WeakPolarHBondContact O-CZ3 3.37Å
52Q61.2Low66.9Low41 Ų4172.8 Ų72.819%0.19235%0.351CS..  trans-122.347.4-169.2-65.1174.1-2600112.4W54 R55Q52-W54 HydrophobicContact CB-CH2 4.48Å; Q52-W54 HydrophobicContact CB-CZ2 4.21Å; Q52-W54 HydrophobicContact CG-CH2 3.99Å; Q52-W54 HydrophobicContact CG-CZ2 3.73Å; Q52-W54 PolarHBondContact O-N 2.78Å; Q52-W54 VanDerWaalsContact O-N 3.09Å; Q52-R55 HydrophobicContact CB-CG 3.97Å; Q52-R55 VanDerWaalsContact NE2-NH2 3.17Å; Q52-R55 WeakPolarHBondContact O-CB 3.46Å; Q52-R55 PolarHBondContact O-N 3.18Å
53L68.6Low67.9Low148 Ų14871 Ų7178%0.77534%0.343SS*.THydrogen-bonded Turntrans-57.5-20.1177.1-73.4164.6000113.7P56L53-P56 WeakPolarHBondContact O-CD 3.14Å
54W71.3Confident68.8Low141 Ų14171.1 Ų71.153%0.53434%0.343SS..THydrogen-bonded Turntrans-76.1-19.2175.961.185.8000113.5Q51 Q52 V57 T58Q51-W54 WeakPolarHBondContact O-CH2 3.37Å; Q51-W54 WeakPolarHBondContact O-CZ3 3.37Å; Q52-W54 HydrophobicContact CB-CH2 4.48Å; Q52-W54 HydrophobicContact CB-CZ2 4.21Å; Q52-W54 HydrophobicContact CG-CH2 3.99Å; Q52-W54 HydrophobicContact CG-CZ2 3.73Å; Q52-W54 PolarHBondContact O-N 2.78Å; Q52-W54 VanDerWaalsContact O-N 3.09Å; W54-V57 WeakPolarHBondContact O-CB 3.5Å; W54-V57 PolarHBondContact O-N 3.41Å; W54-V57 VanDerWaalsContact O-N 3.13Å; W54-T58 PolarHBondContact O-N 2.94Å; W54-T58 PolarHBondContact O-OG1 3.46Å
55R76.5Confident69.9Low5 Ų566 Ų662%0.01932%0.324CS..Hα-helixtrans-60.2-44.7-175.2-80.3-178.4-176.8-83.4-9114.5R37 N38 M40 Q52 V57 T58 A59R37-R55 PolarHBondContact O-NH1 3.49Å; N38-R55 PolarHBondContact OD1-NH2 2.87Å; M40-R55 PolarHBondContact O-NH1 3.31Å; Q52-R55 HydrophobicContact CB-CG 3.97Å; Q52-R55 VanDerWaalsContact NE2-NH2 3.17Å; Q52-R55 WeakPolarHBondContact O-CB 3.46Å; Q52-R55 PolarHBondContact O-N 3.18Å; R55-V57 PolarHBondContact O-N 3.28Å; R55-T58 WeakPolarHBondContact CA-OG1 3.25Å; R55-T58 PolarHBondContact O-N 2.9Å; R55-T58 PolarHBondContact O-OG1 2.97Å; R55-A59 WeakPolarHBondContact O-CB 3.31Å; R55-A59 PolarHBondContact O-N 3.24Å
56P77.6Confident71Confident15 Ų1565.9 Ų65.910%0.09733%0.325CS..Hα-helixtrans-63.2-32.9176.4-22.234.6000112.4L41 L53 T60 W107 V111L41-P56 HydrophobicContact CD1-CB 4.16Å; L41-P56 HydrophobicContact CD1-CG 4.13Å; L53-P56 WeakPolarHBondContact O-CD 3.14Å; P56-T60 WeakPolarHBondContact O-CG2 3.38Å; P56-T60 PolarHBondContact O-N 3.29Å; P56-T60 PolarHBondContact O-OG1 3Å; P56-W107 HydrophobicContact CB-CZ2 3.95Å; P56-V111 HydrophobicContact CB-CG1 3.89Å; P56-V111 HydrophobicContact CB-CG2 3.72Å; P56-V111 HydrophobicContact CG-CG1 4.21Å
57V80Confident72Confident64 Ų6470.7 Ų70.739%0.38836%0.357SS..Hα-helixtrans-71-46.2175.5-176.80000110.5W54 R55 A59 T60 L61 W107W54-V57 WeakPolarHBondContact O-CB 3.5Å; W54-V57 PolarHBondContact O-N 3.41Å; W54-V57 VanDerWaalsContact O-N 3.13Å; R55-V57 PolarHBondContact O-N 3.28Å; V57-A59 PolarHBondContact O-N 2.9Å; V57-T60 PolarHBondContact O-N 3.3Å; V57-T60 PolarHBondContact O-OG1 3.01Å; V57-L61 HydrophobicContact CG1-CD1 4.2Å; V57-L61 WeakPolarHBondContact O-CG 3.49Å; V57-L61 PolarHBondContact O-N 3.3Å; V57-W107 HydrophobicContact CG2-CH2 4.05Å; V57-W107 HydrophobicContact CG2-CZ2 3.56Å
58T78.8Confident73.1Confident28 Ų2871.9 Ų71.917%0.17237%0.37CS..Hα-helixtrans-67.4-36.9177.755.30000112L39 W54 R55 T60 L61 Y62L39-T58 HydrophobicContact CD2-CG2 4.1Å; W54-T58 PolarHBondContact O-N 2.94Å; W54-T58 PolarHBondContact O-OG1 3.46Å; R55-T58 WeakPolarHBondContact CA-OG1 3.25Å; R55-T58 PolarHBondContact O-N 2.9Å; R55-T58 PolarHBondContact O-OG1 2.97Å; T58-T60 PolarHBondContact O-N 3.31Å; T58-L61 PolarHBondContact O-N 2.83Å; T58-Y62 WeakPolarHBondContact O-CB 3.2Å; T58-Y62 PolarHBondContact O-N 3.47Å
59A80.1Confident74.5Confident0 Ų069.1 Ų69.10%035%0.349CS..Hα-helixtrans-68.4-21.4179.500000113.6L39 L41 R55 V57 L122L39-A59 WeakPolarHBondContact O-CA 3.49Å; L39-A59 PolarHBondContact O-N 2.83Å; L41-A59 HydrophobicContact CB-CB 4.05Å; L41-A59 HydrophobicContact CD1-CB 4.06Å; R55-A59 WeakPolarHBondContact O-CB 3.31Å; R55-A59 PolarHBondContact O-N 3.24Å; V57-A59 PolarHBondContact O-N 2.9Å; A59-L122 HydrophobicContact CB-CD1 4.38Å; A59-L122 HydrophobicContact CB-CG 4.43Å; A59-L122 PolarHBondContact O-N 3.41Å
60T83.6Confident75.9Confident5 Ų561.8 Ų61.83%0.03133%0.326CS..Hα-helixtrans-86.7-26.1174.842.40000112.9P56 V57 T58 W107 L122 M123P56-T60 WeakPolarHBondContact O-CG2 3.38Å; P56-T60 PolarHBondContact O-N 3.29Å; P56-T60 PolarHBondContact O-OG1 3Å; V57-T60 PolarHBondContact O-N 3.3Å; V57-T60 PolarHBondContact O-OG1 3.01Å; T58-T60 PolarHBondContact O-N 3.31Å; T60-W107 PolarHBondContact OG1-NE1 3.02Å; T60-L122 HydrophobicContact CG2-CB 3.29Å; T60-L122 HydrophobicContact CG2-CD1 4Å; T60-L122 HydrophobicContact CG2-CG 4.29Å; T60-M123 VanDerWaalsContact O-CA 3.24Å; T60-M123 WeakPolarHBondContact O-CA 3.28Å; T60-M123 VanDerWaalsContact O-CB 3.24Å; T60-M123 WeakPolarHBondContact O-CB 3.13Å; T60-M123 WeakPolarHBondContact O-CG 3.23Å
61L83.8Confident77.4Confident32 Ų3258.9 Ų58.917%0.16831%0.314CS..Hα-helixtrans-94.4-18.2177.6-63.6172.7000113.1A21 V25 V57 T58A21-L61 HydrophobicContact CB-CD1 4.01Å; A21-L61 HydrophobicContact CB-CD2 3.81Å; A21-L61 HydrophobicContact CB-CG 4.47Å; V25-L61 HydrophobicContact CB-CB 4.14Å; V25-L61 HydrophobicContact CG1-CB 4.33Å; V25-L61 HydrophobicContact CG2-CB 3.95Å; V25-L61 HydrophobicContact CG2-CD1 4.31Å; V57-L61 HydrophobicContact CG1-CD1 4.2Å; V57-L61 WeakPolarHBondContact O-CG 3.49Å; V57-L61 PolarHBondContact O-N 3.3Å; T58-L61 PolarHBondContact O-N 2.83Å
62Y83.1Confident79.2Confident16 Ų1653.9 Ų53.96%0.06329%0.291CS..  trans-94.2139.4-175.3179.6-98.1000112.6V25 F36 L39 T58 P64 L121V25-Y62 HydrophobicContact CG1-CD2 4.13Å; V25-Y62 HydrophobicContact CG1-CG 4.46Å; F36-Y62 AromaticContact CD2-CE1 3.59Å; F36-Y62 HydrophobicContact CD2-CE1 3.59Å; F36-Y62 AromaticContact CD2-CZ 3.5Å; F36-Y62 WeakPolarHBondContact CD2-OH 3.44Å; F36-Y62 AromaticContact CE2-CE1 3.39Å; F36-Y62 HydrophobicContact CE2-CE1 3.39Å; F36-Y62 AromaticContact CE2-CZ 3.64Å; F36-Y62 WeakPolarHBondContact CE2-OH 3.48Å; L39-Y62 HydrophobicContact CB-CD1 3.96Å; L39-Y62 HydrophobicContact CB-CD2 4.09Å; L39-Y62 HydrophobicContact CB-CG 3.75Å; L39-Y62 HydrophobicContact CD1-CD2 3.49Å; L39-Y62 VanDerWaalsContact CD1-CD2 3.49Å; L39-Y62 HydrophobicContact CD1-CE2 3.66Å; L39-Y62 HydrophobicContact CD1-CG 4.06Å; L39-Y62 HydrophobicContact CG-CD2 4.34Å; L39-Y62 HydrophobicContact CG-CG 4.46Å; T58-Y62 WeakPolarHBondContact O-CB 3.2Å; T58-Y62 PolarHBondContact O-N 3.47Å; Y62-P64 HydrophobicContact CE1-CB 4.44Å; Y62-P64 WeakPolarHBondContact OH-CA 3.24Å; Y62-L121 HydrophobicContact CD1-CD2 3.71Å; Y62-L121 HydrophobicContact CE1-CD2 4.08Å
63F82.9Confident80.5Confident9 Ų952.9 Ų52.94%0.03929%0.286CS..  trans-140133.3171.2-168.6-91000109.7V65 L72 Y73 M123 I124F63-V65 PolarHBondContact O-N 3.31Å; F63-V65 VanDerWaalsContact O-N 3.15Å; F63-L72 HydrophobicContact CZ-CD2 4.13Å; F63-L72 HydrophobicContact CZ-CG 4.22Å; F63-Y73 HydrophobicContact CB-CD2 3.72Å; F63-Y73 HydrophobicContact CB-CE2 4.12Å; F63-Y73 AromaticContact CD1-CD2 3.57Å; F63-Y73 HydrophobicContact CD1-CD2 3.57Å; F63-Y73 AromaticContact CD1-CG 3.92Å; F63-Y73 HydrophobicContact CD1-CG 3.92Å; F63-Y73 HydrophobicContact CE1-CD2 4.43Å; F63-Y73 HydrophobicContact CE1-CG 4.45Å; F63-Y73 AromaticContact CG-CD2 3.8Å; F63-Y73 HydrophobicContact CG-CD2 3.8Å; F63-M123 HydrophobicContact CB-CE 3.79Å; F63-M123 HydrophobicContact CB-SD 3.81Å; F63-M123 HydrophobicContact CD2-CE 3.96Å; F63-M123 HydrophobicContact CG-CE 3.98Å; F63-I124 HydrophobicContact CE2-CD1 3.69Å; F63-I124 HydrophobicContact CE2-CG1 4.04Å; F63-I124 HydrophobicContact CZ-CD1 4.48Å
64P77.4Confident81.6Confident26 Ų2650.9 Ų50.917%0.16928%0.275CS..  trans-68.2113.2177.327.4-32.5000109.8F36 Y62 T66 T69 L121F36-P64 HydrophobicContact CE2-CB 4.13Å; Y62-P64 HydrophobicContact CE1-CB 4.44Å; Y62-P64 WeakPolarHBondContact OH-CA 3.24Å; P64-T66 PolarHBondContact O-N 3.46Å; P64-T69 PolarHBondContact O-OG1 3.01Å; P64-L121 HydrophobicContact CG-CD1 3.72Å
65V79.3Confident82.5Confident55 Ų5545 Ų4533%0.33326%0.255SS..  trans-9393.3177-175.40000108.7P26 F63 Y73P26-V65 HydrophobicContact CB-CG2 3.9Å; F63-V65 PolarHBondContact O-N 3.31Å; F63-V65 VanDerWaalsContact O-N 3.15Å; V65-Y73 HydrophobicContact CG2-CD1 4.12Å; V65-Y73 HydrophobicContact CG2-CD2 4.35Å; V65-Y73 HydrophobicContact CG2-CE1 4.3Å; V65-Y73 HydrophobicContact CG2-CG 4.14Å
66T78.9Confident83.2Confident65 Ų6544.7 Ų44.740%0.39925%0.254SS..  trans-111.4161.9170.864.80000110.3P64 N68 T69 G70P64-T66 PolarHBondContact O-N 3.46Å; T66-N68 PolarHBondContact O-N 3.03Å; T66-T69 PolarHBondContact N-OG1 3.32Å; T66-T69 PolarHBondContact O-N 3.5Å; T66-T69 PolarHBondContact O-OG1 3.02Å; T66-T69 PolarHBondContact OG1-OG1 3.31Å; T66-G70 PolarHBondContact O-N 3.37Å
67P77.9Confident83.9Confident133 Ų13344.8 Ų44.886%0.86425%0.253SS*.THydrogen-bonded Turntrans-52.3-32.8178.2-28.536.3000113.8
68N79.1Confident84.5Confident155 Ų15547.4 Ų47.483%0.82926%0.257SS*.THydrogen-bonded Turntrans-81.5-23.2-179.2-59.2-8.3000113.2T66T66-N68 PolarHBondContact O-N 3.03Å
69T83.6Confident85.2Confident38 Ų3846.4 Ų46.423%0.23325%0.25CS..THydrogen-bonded Turntrans-111.1-8.7-173.756.40000113.2P64 T66 F71 L72 Y73P64-T69 PolarHBondContact O-OG1 3.01Å; T66-T69 PolarHBondContact N-OG1 3.32Å; T66-T69 PolarHBondContact O-N 3.5Å; T66-T69 PolarHBondContact O-OG1 3.02Å; T66-T69 PolarHBondContact OG1-OG1 3.31Å; T69-F71 VanDerWaalsContact C-N 3.28Å; T69-F71 PolarHBondContact O-N 3.42Å; T69-L72 PolarHBondContact O-N 2.87Å; T69-Y73 PolarHBondContact O-N 3.39Å
70G84.9Confident85.9Confident18 Ų1846.5 Ų46.519%0.18625%0.251CS..Hα-helixtrans-59.8-35.6-178.300000113.4T66 Y73 L74T66-G70 PolarHBondContact O-N 3.37Å; G70-Y73 WeakPolarHBondContact O-CB 3.41Å; G70-Y73 PolarHBondContact O-N 2.73Å; G70-L74 WeakPolarHBondContact O-CG 3.18Å; G70-L74 PolarHBondContact O-N 3.28Å
71F87.1Confident86.5Confident111 Ų11149.2 Ų49.249%0.48726%0.261SS..Hα-helixtrans-64.8-50.1174.7-178.7-111.9000112.2T69 Y73 L74 V75 W146T69-F71 VanDerWaalsContact C-N 3.28Å; T69-F71 PolarHBondContact O-N 3.42Å; F71-Y73 PolarHBondContact O-N 2.96Å; F71-L74 PolarHBondContact O-N 2.99Å; F71-L74 VanDerWaalsContact O-N 3.13Å; F71-V75 HydrophobicContact CD1-CG2 4.38Å; F71-V75 HydrophobicContact CD2-CG2 4.46Å; F71-V75 HydrophobicContact CE1-CG2 4.19Å; F71-V75 HydrophobicContact CE2-CG2 4.27Å; F71-V75 HydrophobicContact CZ-CG2 4.2Å; F71-V75 WeakPolarHBondContact O-CG2 3.24Å; F71-V75 PolarHBondContact O-N 2.93Å; F71-W146 AromaticContact CE1-CH2 3.68Å; F71-W146 HydrophobicContact CE1-CH2 3.68Å; F71-W146 HydrophobicContact CE1-CZ3 4.11Å; F71-W146 HydrophobicContact CE2-CH2 4.12Å; F71-W146 AromaticContact CZ-CH2 3.2Å; F71-W146 HydrophobicContact CZ-CH2 3.2Å; F71-W146 HydrophobicContact CZ-CZ2 4.36Å; F71-W146 AromaticContact CZ-CZ3 3.62Å; F71-W146 HydrophobicContact CZ-CZ3 3.62Å
72L87.4Confident86.9Confident26 Ų2649.3 Ų49.314%0.13626%0.261CS..Hα-helixtrans-58.3-39.8176.6-17961.8000111.1F63 T69 N76 I124 N164F63-L72 HydrophobicContact CZ-CD2 4.13Å; F63-L72 HydrophobicContact CZ-CG 4.22Å; T69-L72 PolarHBondContact O-N 2.87Å; L72-N76 WeakPolarHBondContact CD1-ND2 3.43Å; L72-N76 WeakPolarHBondContact O-CB 3.47Å; L72-N76 PolarHBondContact O-N 2.85Å; L72-N76 PolarHBondContact O-ND2 3.44Å; L72-I124 HydrophobicContact CD2-CD1 4.31Å; L72-N164 WeakPolarHBondContact CD1-OD1 3.42Å
73Y89.5Confident87.5Confident20 Ų2049.2 Ų49.28%0.07826%0.26CS..Hα-helixtrans-58-52173.3172.6-109.5000112.2S22 I23 P26 F63 V65 T69 G70 F71 V75 N76 L77 M123S22-Y73 PolarHBondContact O-OH 3.47Å; I23-Y73 WeakPolarHBondContact CA-OH 3.47Å; P26-Y73 HydrophobicContact CG-CE2 4.09Å; F63-Y73 HydrophobicContact CB-CD2 3.72Å; F63-Y73 HydrophobicContact CB-CE2 4.12Å; F63-Y73 AromaticContact CD1-CD2 3.57Å; F63-Y73 HydrophobicContact CD1-CD2 3.57Å; F63-Y73 AromaticContact CD1-CG 3.92Å; F63-Y73 HydrophobicContact CD1-CG 3.92Å; F63-Y73 HydrophobicContact CE1-CD2 4.43Å; F63-Y73 HydrophobicContact CE1-CG 4.45Å; F63-Y73 AromaticContact CG-CD2 3.8Å; F63-Y73 HydrophobicContact CG-CD2 3.8Å; V65-Y73 HydrophobicContact CG2-CD1 4.12Å; V65-Y73 HydrophobicContact CG2-CD2 4.35Å; V65-Y73 HydrophobicContact CG2-CE1 4.3Å; V65-Y73 HydrophobicContact CG2-CG 4.14Å; T69-Y73 PolarHBondContact O-N 3.39Å; G70-Y73 WeakPolarHBondContact O-CB 3.41Å; G70-Y73 PolarHBondContact O-N 2.73Å; F71-Y73 PolarHBondContact O-N 2.96Å; Y73-V75 PolarHBondContact O-N 2.59Å; Y73-N76 PolarHBondContact O-N 3.07Å; Y73-L77 HydrophobicContact CE1-CD2 4.46Å; Y73-L77 WeakPolarHBondContact O-CB 3.03Å; Y73-L77 PolarHBondContact O-N 3.08Å; Y73-M123 HydrophobicContact CD2-CE 3.82Å; Y73-M123 HydrophobicContact CE2-CE 4.02Å
74L90.9Very high88Confident107 Ų10748.8 Ų48.856%0.5626%0.258SS*.Hα-helixtrans-63.2-40.4-178.9-70.2175.8000112.3G70 F71 L77 Y78G70-L74 WeakPolarHBondContact O-CG 3.18Å; G70-L74 PolarHBondContact O-N 3.28Å; F71-L74 PolarHBondContact O-N 2.99Å; F71-L74 VanDerWaalsContact O-N 3.13Å; L74-L77 PolarHBondContact O-N 2.89Å; L74-Y78 WeakPolarHBondContact O-CB 3.08Å; L74-Y78 PolarHBondContact O-N 3.43Å
75V89.9Confident88.8Confident16 Ų1648.9 Ų48.910%0.09726%0.258CS..Hα-helixtrans-62.9-45.7176.2172.40000110.8F71 Y73 L77 Y78 F79 W146F71-V75 HydrophobicContact CD1-CG2 4.38Å; F71-V75 HydrophobicContact CD2-CG2 4.46Å; F71-V75 HydrophobicContact CE1-CG2 4.19Å; F71-V75 HydrophobicContact CE2-CG2 4.27Å; F71-V75 HydrophobicContact CZ-CG2 4.2Å; F71-V75 WeakPolarHBondContact O-CG2 3.24Å; F71-V75 PolarHBondContact O-N 2.93Å; Y73-V75 PolarHBondContact O-N 2.59Å; V75-L77 VanDerWaalsContact C-N 3.33Å; V75-L77 PolarHBondContact O-N 3.41Å; V75-Y78 WeakPolarHBondContact O-CB 3.49Å; V75-Y78 PolarHBondContact O-N 3.42Å; V75-F79 HydrophobicContact CG1-CD2 4.04Å; V75-F79 HydrophobicContact CG1-CE1 4.31Å; V75-F79 HydrophobicContact CG1-CE2 3.48Å; V75-F79 VanDerWaalsContact CG1-CE2 3.48Å; V75-F79 HydrophobicContact CG1-CZ 3.64Å; V75-F79 WeakPolarHBondContact O-CG 3.33Å; V75-F79 PolarHBondContact O-N 3.4Å; V75-W146 HydrophobicContact CG1-CZ2 4.34Å; V75-W146 HydrophobicContact CG2-CH2 3.94Å; V75-W146 HydrophobicContact CG2-CZ2 3.82Å
76N91.1Very high89.5Confident0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-64.1-39175.8-79.8-67.6000112L72 Y73 Y78 F79 L80 M123 I127L72-N76 WeakPolarHBondContact CD1-ND2 3.43Å; L72-N76 WeakPolarHBondContact O-CB 3.47Å; L72-N76 PolarHBondContact O-N 2.85Å; L72-N76 PolarHBondContact O-ND2 3.44Å; Y73-N76 PolarHBondContact O-N 3.07Å; N76-Y78 VanDerWaalsContact C-N 3.33Å; N76-Y78 PolarHBondContact O-N 2.82Å; N76-F79 PolarHBondContact O-N 3.28Å; N76-L80 WeakPolarHBondContact O-CB 3.31Å; N76-L80 PolarHBondContact O-N 3.3Å; N76-M123 HydrophobicContact CB-CE 4.16Å; N76-I127 HydrophobicContact CB-CD1 3.99Å
77L92.8Very high90.2Very high17 Ų1747.9 Ų47.99%0.08924%0.241CC..Hα-helixtrans-64.4-38.4176.4-16478.3000111.7F19 I23 Y73 L74 V75 L80 Y81F19-L77 HydrophobicContact CD2-CD1 4.1Å; F19-L77 HydrophobicContact CD2-CG 4.05Å; F19-L77 HydrophobicContact CE2-CD1 4.07Å; F19-L77 HydrophobicContact CE2-CD2 3.88Å; F19-L77 HydrophobicContact CE2-CG 3.55Å; F19-L77 HydrophobicContact CZ-CD2 4.1Å; F19-L77 HydrophobicContact CZ-CG 4.27Å; I23-L77 HydrophobicContact CD1-CD2 4Å; I23-L77 HydrophobicContact CG1-CD1 3.88Å; I23-L77 HydrophobicContact CG1-CD2 3.82Å; I23-L77 HydrophobicContact CG1-CG 4.46Å; Y73-L77 HydrophobicContact CE1-CD2 4.46Å; Y73-L77 WeakPolarHBondContact O-CB 3.03Å; Y73-L77 PolarHBondContact O-N 3.08Å; L74-L77 PolarHBondContact O-N 2.89Å; V75-L77 VanDerWaalsContact C-N 3.33Å; V75-L77 PolarHBondContact O-N 3.41Å; L77-L80 PolarHBondContact O-N 3.46Å; L77-Y81 WeakPolarHBondContact O-CB 3.47Å; L77-Y81 PolarHBondContact O-N 3.47Å
78Y93Very high90.9Very high119 Ų11942.6 Ų42.647%0.46721%0.205SC..Hα-helixtrans-63.4-45.8171169.8-97.8000111.6L74 V75 N76 L80 Y81 H82L74-Y78 WeakPolarHBondContact O-CB 3.08Å; L74-Y78 PolarHBondContact O-N 3.43Å; V75-Y78 WeakPolarHBondContact O-CB 3.49Å; V75-Y78 PolarHBondContact O-N 3.42Å; N76-Y78 VanDerWaalsContact C-N 3.33Å; N76-Y78 PolarHBondContact O-N 2.82Å; Y78-L80 VanDerWaalsContact C-N 3.33Å; Y78-L80 PolarHBondContact O-N 3.39Å; Y78-Y81 PolarHBondContact O-N 2.89Å; Y78-H82 HydrophobicContact CE1-CB 4.27Å; Y78-H82 HydrophobicContact CE2-CB 4.27Å; Y78-H82 AromaticContact CZ-CG 4Å; Y78-H82 WeakPolarHBondContact O-CB 3.38Å; Y78-H82 PolarHBondContact O-N 2.88Å
79F93.9Very high91.5Very high6 Ų638.9 Ų38.93%0.02619%0.188CC..Hα-helixtrans-61.2-41.9176.7-68.7-24.1000112.3V75 N76 Y83 I127 L131 F145 I160V75-F79 HydrophobicContact CG1-CD2 4.04Å; V75-F79 HydrophobicContact CG1-CE1 4.31Å; V75-F79 HydrophobicContact CG1-CE2 3.48Å; V75-F79 VanDerWaalsContact CG1-CE2 3.48Å; V75-F79 HydrophobicContact CG1-CZ 3.64Å; V75-F79 WeakPolarHBondContact O-CG 3.33Å; V75-F79 PolarHBondContact O-N 3.4Å; N76-F79 PolarHBondContact O-N 3.28Å; F79-Y83 HydrophobicContact CB-CD2 3.97Å; F79-Y83 HydrophobicContact CB-CE2 4.18Å; F79-Y83 HydrophobicContact CD1-CD2 4.21Å; F79-Y83 AromaticContact CD1-CE2 3.55Å; F79-Y83 HydrophobicContact CD1-CE2 3.55Å; F79-Y83 HydrophobicContact CE1-CE2 4.2Å; F79-Y83 HydrophobicContact CG-CD2 4.37Å; F79-Y83 HydrophobicContact CG-CE2 4.07Å; F79-Y83 WeakPolarHBondContact O-CB 3.36Å; F79-Y83 VanDerWaalsContact O-CD2 3.26Å; F79-Y83 WeakPolarHBondContact O-CD2 3.42Å; F79-Y83 PolarHBondContact O-N 3.38Å; F79-I127 HydrophobicContact CB-CG2 3.83Å; F79-L131 HydrophobicContact CB-CD1 4.41Å; F79-L131 HydrophobicContact CD2-CD1 4.33Å; F79-L131 HydrophobicContact CG-CD1 4.23Å; F79-F145 HydrophobicContact CZ-CE2 4.29Å; F79-I160 HydrophobicContact CE1-CD1 4.29Å; F79-I160 HydrophobicContact CE2-CD1 3.91Å; F79-I160 HydrophobicContact CE2-CG1 4.33Å; F79-I160 HydrophobicContact CE2-CG2 3.91Å; F79-I160 HydrophobicContact CZ-CD1 3.78Å; F79-I160 HydrophobicContact CZ-CG1 4.16Å
80L94.6Very high91.8Very high2 Ų239.2 Ų39.21%0.0120%0.199CC..Hα-helixtrans-54.8-62171.7-171.2163000108.9W18 F19 N76 L77 Y78 H82 S84 I127W18-L80 HydrophobicContact CD2-CD1 3.78Å; W18-L80 HydrophobicContact CD2-CD2 4Å; W18-L80 HydrophobicContact CD2-CG 3.93Å; W18-L80 VanDerWaalsContact CE2-CD1 3.47Å; W18-L80 HydrophobicContact CE3-CD1 4.23Å; W18-L80 HydrophobicContact CE3-CD2 3.85Å; W18-L80 HydrophobicContact CE3-CG 3.84Å; W18-L80 HydrophobicContact CG-CD1 4.24Å; W18-L80 HydrophobicContact CG-CD2 4.43Å; W18-L80 HydrophobicContact CH2-CD1 4.14Å; W18-L80 HydrophobicContact CH2-CG 3.87Å; W18-L80 HydrophobicContact CZ2-CD1 3.67Å; W18-L80 HydrophobicContact CZ2-CG 3.94Å; W18-L80 HydrophobicContact CZ3-CD1 4.4Å; W18-L80 HydrophobicContact CZ3-CD2 4.25Å; W18-L80 HydrophobicContact CZ3-CG 3.82Å; F19-L80 HydrophobicContact CB-CD2 3.8Å; F19-L80 HydrophobicContact CD2-CD2 4.1Å; F19-L80 HydrophobicContact CG-CD2 4.47Å; N76-L80 WeakPolarHBondContact O-CB 3.31Å; N76-L80 PolarHBondContact O-N 3.3Å; L77-L80 PolarHBondContact O-N 3.46Å; Y78-L80 VanDerWaalsContact C-N 3.33Å; Y78-L80 PolarHBondContact O-N 3.39Å; L80-H82 VanDerWaalsContact C-N 3.34Å; L80-H82 PolarHBondContact O-N 3.03Å; L80-S84 WeakPolarHBondContact O-CA 3.38Å; L80-S84 WeakPolarHBondContact O-CB 3.32Å; L80-S84 PolarHBondContact O-N 2.95Å; L80-I127 HydrophobicContact CB-CD1 4.02Å; L80-I127 HydrophobicContact CB-CG1 4Å; L80-I127 HydrophobicContact CB-CG2 4.39Å; L80-I127 HydrophobicContact CD1-CD1 4.02Å; L80-I127 HydrophobicContact CD1-CG1 4.02Å; L80-I127 HydrophobicContact CG-CG1 4.25Å
81Y94.8Very high91.8Very high62 Ų6240.1 Ų40.124%0.24321%0.205CC..Hα-helixtrans-53.3-49.8-178.4172-103.1000112.7W7 I11 F19 L77 Y78 T85W7-Y81 AromaticContact CZ2-CE2 3.93Å; W7-Y81 HydrophobicContact CZ2-CE2 3.93Å; W7-Y81 AromaticContact NE1-CZ 3.99Å; W7-Y81 PolarHBondContact NE1-OH 3.27Å; I11-Y81 HydrophobicContact CD1-CD2 4.07Å; I11-Y81 HydrophobicContact CD1-CE2 3.63Å; I11-Y81 HydrophobicContact CG1-CE2 3.85Å; I11-Y81 HydrophobicContact CG2-CE2 4.4Å; F19-Y81 HydrophobicContact CE2-CD2 4.5Å; F19-Y81 HydrophobicContact CE2-CG 4.42Å; L77-Y81 WeakPolarHBondContact O-CB 3.47Å; L77-Y81 PolarHBondContact O-N 3.47Å; Y78-Y81 PolarHBondContact O-N 2.89Å; Y81-T85 WeakPolarHBondContact O-CB 3.33Å; Y81-T85 PolarHBondContact O-N 3.25Å; Y81-T85 PolarHBondContact O-OG1 2.86Å
82H93.6Very high91.8Very high35 Ų3535.2 Ų35.216%0.16218%0.183CC..Hα-helixtrans-71-51.2-171.2-172.776.3000113.1Y78 L80 R86Y78-H82 HydrophobicContact CE1-CB 4.27Å; Y78-H82 HydrophobicContact CE2-CB 4.27Å; Y78-H82 AromaticContact CZ-CG 4Å; Y78-H82 WeakPolarHBondContact O-CB 3.38Å; Y78-H82 PolarHBondContact O-N 2.88Å; L80-H82 VanDerWaalsContact C-N 3.34Å; L80-H82 PolarHBondContact O-N 3.03Å; H82-R86 PolarHBondContact CE1-NH2 2.95Å; H82-R86 PolarHBondContact NE2-NE 3.29Å; H82-R86 PolarHBondContact NE2-NH1 3.48Å; H82-R86 PolarHBondContact NE2-NH2 3.36Å; H82-R86 WeakPolarHBondContact O-CG 3.3Å; H82-R86 PolarHBondContact O-N 2.75Å
83Y94.2Very high91.8Very high13 Ų1337.5 Ų37.55%0.05120%0.195CC..Hα-helixtrans-80.8-36.2-175.6-63.3-65000112.1F79 R86 L87 L131 W134 L156F79-Y83 HydrophobicContact CB-CD2 3.97Å; F79-Y83 HydrophobicContact CB-CE2 4.18Å; F79-Y83 HydrophobicContact CD1-CD2 4.21Å; F79-Y83 AromaticContact CD1-CE2 3.55Å; F79-Y83 HydrophobicContact CD1-CE2 3.55Å; F79-Y83 HydrophobicContact CE1-CE2 4.2Å; F79-Y83 HydrophobicContact CG-CD2 4.37Å; F79-Y83 HydrophobicContact CG-CE2 4.07Å; F79-Y83 WeakPolarHBondContact O-CB 3.36Å; F79-Y83 VanDerWaalsContact O-CD2 3.26Å; F79-Y83 WeakPolarHBondContact O-CD2 3.42Å; F79-Y83 PolarHBondContact O-N 3.38Å; Y83-R86 PolarHBondContact O-N 3.37Å; Y83-L87 WeakPolarHBondContact O-CB 3.23Å; Y83-L87 PolarHBondContact O-N 2.9Å; Y83-L131 HydrophobicContact CD2-CB 4.12Å; Y83-L131 HydrophobicContact CD2-CD1 3.52Å; Y83-L131 HydrophobicContact CD2-CG 3.65Å; Y83-L131 HydrophobicContact CE2-CD1 3.38Å; Y83-L131 HydrophobicContact CE2-CG 3.8Å; Y83-L131 HydrophobicContact CG-CB 4.36Å; Y83-L131 HydrophobicContact CG-CD1 4.41Å; Y83-L131 HydrophobicContact CG-CG 4.07Å; Y83-W134 HydrophobicContact CD1-CB 4.49Å; Y83-W134 AromaticContact CD1-CD2 3.55Å; Y83-W134 HydrophobicContact CD1-CD2 3.55Å; Y83-W134 AromaticContact CD1-CE3 3.43Å; Y83-W134 HydrophobicContact CD1-CE3 3.43Å; Y83-W134 VanDerWaalsContact CD1-CE3 3.43Å; Y83-W134 AromaticContact CD1-CG 4Å; Y83-W134 HydrophobicContact CD1-CG 4Å; Y83-W134 HydrophobicContact CD1-CH2 4.49Å; Y83-W134 AromaticContact CD1-CZ3 3.95Å; Y83-W134 HydrophobicContact CD1-CZ3 3.95Å; Y83-W134 HydrophobicContact CE1-CD2 4.03Å; Y83-W134 AromaticContact CE1-CE3 3.5Å; Y83-W134 HydrophobicContact CE1-CE3 3.5Å; Y83-W134 VanDerWaalsContact CE1-CE3 3.5Å; Y83-W134 HydrophobicContact CE1-CH2 4.07Å; Y83-W134 AromaticContact CE1-CZ3 3.52Å; Y83-W134 HydrophobicContact CE1-CZ3 3.52Å; Y83-L156 HydrophobicContact CE1-CD2 3.61Å; Y83-L156 HydrophobicContact CE2-CD2 4.26Å; Y83-L156 VanDerWaalsContact CZ-CD2 3.42Å; Y83-L156 WeakPolarHBondContact OH-CD2 3.48Å
84S94.4Very high91.6Very high0 Ų037.1 Ų37.10%020%0.198CC..Hα-helixtrans-60.1-48.5174-171.10000111.2T15 L80 R86 L87 E88 Y99T15-S84 WeakPolarHBondContact CB-OG 3.39Å; T15-S84 WeakPolarHBondContact CG2-OG 3.43Å; T15-S84 PolarHBondContact OG1-O 3.49Å; T15-S84 PolarHBondContact OG1-OG 3.38Å; L80-S84 WeakPolarHBondContact O-CA 3.38Å; L80-S84 WeakPolarHBondContact O-CB 3.32Å; L80-S84 PolarHBondContact O-N 2.95Å; S84-R86 PolarHBondContact O-N 3.43Å; S84-L87 PolarHBondContact O-N 3.23Å; S84-L87 VanDerWaalsContact O-N 3.15Å; S84-E88 PolarHBondContact O-N 2.87Å; S84-Y99 PolarHBondContact OG-OH 3.45Å
85T94.8Very high91.4Very high28 Ų2835.4 Ų35.417%0.17218%0.184CC..Hα-helixtrans-58.7-48.2177.7-63.10000110.8P12 Y81 L87 E88 T89P12-T85 HydrophobicContact CG-CG2 3.93Å; Y81-T85 WeakPolarHBondContact O-CB 3.33Å; Y81-T85 PolarHBondContact O-N 3.25Å; Y81-T85 PolarHBondContact O-OG1 2.86Å; T85-L87 VanDerWaalsContact C-N 3.26Å; T85-L87 PolarHBondContact O-N 3.49Å; T85-E88 PolarHBondContact O-N 3.36Å; T85-T89 HydrophobicContact CG2-CG2 4.38Å; T85-T89 PolarHBondContact O-N 3.43Å; T85-T89 PolarHBondContact O-OG1 3.27Å
86R93.8Very high91.3Very high100 Ų10036 Ų3638%0.37719%0.188SC..Hα-helixtrans-64.2-30.1179.2-75.2179.4171-178.41113.4H82 Y83 S84 G90H82-R86 PolarHBondContact CE1-NH2 2.95Å; H82-R86 PolarHBondContact NE2-NE 3.29Å; H82-R86 PolarHBondContact NE2-NH1 3.48Å; H82-R86 PolarHBondContact NE2-NH2 3.36Å; H82-R86 WeakPolarHBondContact O-CG 3.3Å; H82-R86 PolarHBondContact O-N 2.75Å; Y83-R86 PolarHBondContact O-N 3.37Å; S84-R86 PolarHBondContact O-N 3.43Å; R86-G90 VanDerWaalsContact O-CA 3.26Å; R86-G90 WeakPolarHBondContact O-CA 3.21Å; R86-G90 PolarHBondContact O-N 2.97Å
87L92.9Very high91.2Very high0 Ų036 Ų360%019%0.188CC..Iπ-helixtrans-74.3-45.6176.6-15081.5000110.9Y83 S84 T85 G90 A91 F92 Y99 M102 V130 V133 W134 F137Y83-L87 WeakPolarHBondContact O-CB 3.23Å; Y83-L87 PolarHBondContact O-N 2.9Å; S84-L87 PolarHBondContact O-N 3.23Å; S84-L87 VanDerWaalsContact O-N 3.15Å; T85-L87 VanDerWaalsContact C-N 3.26Å; T85-L87 PolarHBondContact O-N 3.49Å; L87-G90 PolarHBondContact O-N 2.94Å; L87-A91 HydrophobicContact CD1-CB 4.31Å; L87-A91 HydrophobicContact CG-CB 4.45Å; L87-A91 PolarHBondContact O-N 3.1Å; L87-F92 HydrophobicContact CD1-CE2 4.48Å; L87-F92 HydrophobicContact CD2-CD2 3.93Å; L87-F92 HydrophobicContact CD2-CE2 3.52Å; L87-F92 HydrophobicContact CG-CD2 3.75Å; L87-F92 HydrophobicContact CG-CE2 3.69Å; L87-F92 PolarHBondContact O-N 3.23Å; L87-Y99 HydrophobicContact CB-CE2 4.22Å; L87-Y99 HydrophobicContact CD2-CD2 4.03Å; L87-Y99 HydrophobicContact CD2-CE2 3.72Å; L87-Y99 HydrophobicContact CG-CE2 4.42Å; L87-M102 HydrophobicContact CD2-CE 3.88Å; L87-M102 HydrophobicContact CD2-SD 3.36Å; L87-M102 WeakPolarHBondContact CD2-SD 3.07Å; L87-V130 HydrophobicContact CD2-CG1 4.24Å; L87-V133 HydrophobicContact CD1-CG1 4.2Å; L87-V133 HydrophobicContact CD2-CG1 4.17Å; L87-W134 VanDerWaalsContact CD1-CA 3.44Å; L87-W134 HydrophobicContact CD1-CB 3.65Å; L87-W134 HydrophobicContact CD1-CG 4.27Å; L87-F137 HydrophobicContact CD1-CD2 4.05Å
88E92.9Very high91Very high21 Ų2135.6 Ų35.610%0.09819%0.186CC..Iπ-helixtrans-67.3-40.8-179.6-168.8173.3167.800112.3P12 L13 I14 T15 S84 T85 F92 D93 Y99P12-E88 HydrophobicContact CB-CB 4.13Å; P12-E88 HydrophobicContact CB-CG 3.74Å; P12-E88 VanDerWaalsContact CB-OE1 3.31Å; P12-E88 WeakPolarHBondContact CB-OE1 3.5Å; P12-E88 VanDerWaalsContact CB-OE2 3.3Å; P12-E88 WeakPolarHBondContact CB-OE2 3.41Å; L13-E88 PolarHBondContact N-OE1 3.23Å; I14-E88 PolarHBondContact N-OE1 3.05Å; T15-E88 VanDerWaalsContact CB-OE2 3.25Å; T15-E88 WeakPolarHBondContact CB-OE2 3.35Å; T15-E88 PolarHBondContact N-OE2 3.22Å; T15-E88 PolarHBondContact OG1-OE2 3.22Å; S84-E88 PolarHBondContact O-N 2.87Å; T85-E88 PolarHBondContact O-N 3.36Å; E88-F92 CarbonylContact O-C 3.45Å; E88-D93 PolarHBondContact O-N 2.85Å; E88-Y99 HydrophobicContact CB-CD1 4.03Å; E88-Y99 HydrophobicContact CB-CE1 3.97Å; E88-Y99 HydrophobicContact CB-CG 4.49Å; E88-Y99 HydrophobicContact CG-CD1 3.81Å; E88-Y99 HydrophobicContact CG-CE1 4.05Å; E88-Y99 HydrophobicContact CG-CG 4.47Å
89T91.5Very high91Very high77 Ų7730 Ų3047%0.47216%0.164SC..Iπ-helixtrans-89.1-9177.666.20000114.3P12 T85P12-T89 HydrophobicContact CB-CG2 4.34Å; P12-T89 HydrophobicContact CG-CG2 3.33Å; T85-T89 HydrophobicContact CG2-CG2 4.38Å; T85-T89 PolarHBondContact O-N 3.43Å; T85-T89 PolarHBondContact O-OG1 3.27Å
90G89.4Confident90.9Very high46 Ų4630.6 Ų30.647%0.47417%0.169SC..Iπ-helixtrans-109.1-89.9-17700000110.7R86 L87 F92 D93R86-G90 VanDerWaalsContact O-CA 3.26Å; R86-G90 WeakPolarHBondContact O-CA 3.21Å; R86-G90 PolarHBondContact O-N 2.97Å; L87-G90 PolarHBondContact O-N 2.94Å; G90-F92 VanDerWaalsContact C-N 3.25Å; G90-F92 PolarHBondContact O-N 3.02Å; G90-D93 PolarHBondContact O-N 3.46Å
91A86.1Confident90.8Very high36 Ų3631.8 Ų31.830%0.29817%0.174SC..Iπ-helixtrans-61-32.6-174.800000113.4L87 F137L87-A91 HydrophobicContact CD1-CB 4.31Å; L87-A91 HydrophobicContact CG-CB 4.45Å; L87-A91 PolarHBondContact O-N 3.1Å; A91-F137 HydrophobicContact CB-CD1 4.42Å; A91-F137 HydrophobicContact CB-CD2 3.89Å; A91-F137 HydrophobicContact CB-CE1 4.48Å; A91-F137 HydrophobicContact CB-CE2 3.95Å; A91-F137 HydrophobicContact CB-CG 4.12Å; A91-F137 HydrophobicContact CB-CZ 4.22Å
92F87.1Confident90.7Very high9 Ų928.9 Ų28.94%0.03916%0.162CC..THydrogen-bonded Turntrans-111.522.2-178-61-76.8000113.8L87 E88 G90 G94 R95 D98 Y99 M102 F137L87-F92 HydrophobicContact CD1-CE2 4.48Å; L87-F92 HydrophobicContact CD2-CD2 3.93Å; L87-F92 HydrophobicContact CD2-CE2 3.52Å; L87-F92 HydrophobicContact CG-CD2 3.75Å; L87-F92 HydrophobicContact CG-CE2 3.69Å; L87-F92 PolarHBondContact O-N 3.23Å; E88-F92 CarbonylContact O-C 3.45Å; G90-F92 VanDerWaalsContact C-N 3.25Å; G90-F92 PolarHBondContact O-N 3.02Å; F92-G94 PolarHBondContact O-N 2.85Å; F92-R95 CarbonylContact O-C 3.37Å; F92-R95 PolarHBondContact O-N 3.25Å; F92-D98 HydrophobicContact CD1-CB 3.64Å; F92-D98 HydrophobicContact CE1-CB 3.86Å; F92-Y99 HydrophobicContact CB-CG 4.42Å; F92-Y99 AromaticContact CD2-CD2 3.63Å; F92-Y99 HydrophobicContact CD2-CD2 3.63Å; F92-Y99 HydrophobicContact CD2-CG 4.25Å; F92-Y99 HydrophobicContact CE2-CD2 4.06Å; F92-Y99 HydrophobicContact CG-CD2 4.23Å; F92-Y99 HydrophobicContact CG-CG 4.41Å; F92-M102 HydrophobicContact CE2-SD 4.1Å; F92-M102 HydrophobicContact CZ-CB 4.28Å; F92-M102 HydrophobicContact CZ-SD 4.39Å; F92-F137 HydrophobicContact CE2-CE2 4.3Å; F92-F137 HydrophobicContact CZ-CE2 4.33Å
93D87.4Confident90.7Very high73 Ų7328.3 Ų28.339%0.3916%0.161SC..THydrogen-bonded Turntrans-58.5123.8-179.2-174.931.2000111.9E88 G90 R95 R215E88-D93 PolarHBondContact O-N 2.85Å; G90-D93 PolarHBondContact O-N 3.46Å; D93-R95 PolarHBondContact O-N 3.2Å; D93-R215 IonicContact OD2-CZ 3.34Å; D93-R215 IonicContact OD2-NH1 2.71Å; D93-R215 PolarHBondContact OD2-NH1 3.39Å; D93-R215 IonicContact OD2-NH2 3.29Å; D93-R215 PolarHBondContact OD2-NH2 3.41Å
94G83.4Confident90.7Very high13 Ų1330.8 Ų30.813%0.13417%0.174CC..THydrogen-bonded Turntrans72.26.6-176.500000115.5F92 P96 T214F92-G94 PolarHBondContact O-N 2.85Å; G94-P96 VanDerWaalsContact C-CD 3.44Å; G94-T214 PolarHBondContact O-N 3.02Å
95R87.6Confident90.7Very high70 Ų7032.3 Ų32.326%0.26418%0.181SC..  trans-128.163.1177.1-57.6-173-171.5-178.92112.1F92 D93 A97 D98 Y99 N213 F221F92-R95 CarbonylContact O-C 3.37Å; F92-R95 PolarHBondContact O-N 3.25Å; D93-R95 PolarHBondContact O-N 3.2Å; R95-A97 PolarHBondContact O-N 3.08Å; R95-D98 HydrophobicContact CB-CB 4.27Å; R95-D98 VanDerWaalsContact CD-OD2 3.26Å; R95-D98 WeakPolarHBondContact CD-OD2 3.4Å; R95-D98 PolarHBondContact O-N 2.62Å; R95-Y99 PolarHBondContact O-N 2.66Å; R95-N213 WeakPolarHBondContact CA-OD1 3.42Å; R95-F221 VanDerWaalsContact NH1-CD2 3.27Å
96P88.6Confident90.7Very high28 Ų2831 Ų3118%0.18217%0.173CC..Hα-helixtrans-59.6-33-177.223.9-33.7000113.1I14 G94 D98 Y99 V100 F211I14-P96 HydrophobicContact CD1-CB 3.92Å; G94-P96 VanDerWaalsContact C-CD 3.44Å; P96-D98 PolarHBondContact O-N 3.32Å; P96-Y99 PolarHBondContact O-N 3.28Å; P96-V100 WeakPolarHBondContact O-CG2 3.34Å; P96-V100 PolarHBondContact O-N 3.23Å; P96-F211 HydrophobicContact CB-CB 4.14Å; P96-F211 HydrophobicContact CG-CB 4.02Å
97A88.6Confident90.7Very high0 Ų029.3 Ų29.30%017%0.166CC..Hα-helixtrans-60.9-40.7177.800000113.2R95 Y99 V100 F101 T203 L207 Y208 F211R95-A97 PolarHBondContact O-N 3.08Å; A97-Y99 VanDerWaalsContact C-N 3.33Å; A97-V100 PolarHBondContact O-N 3.07Å; A97-F101 WeakPolarHBondContact O-CB 3.39Å; A97-F101 PolarHBondContact O-N 2.73Å; A97-T203 HydrophobicContact CB-CG2 4.08Å; A97-L207 HydrophobicContact CB-CB 4.06Å; A97-Y208 HydrophobicContact CB-CD1 3.41Å; A97-Y208 VanDerWaalsContact CB-CD1 3.41Å; A97-Y208 HydrophobicContact CB-CE1 3.56Å; A97-Y208 HydrophobicContact CB-CG 4.19Å; A97-F211 HydrophobicContact CB-CB 4.16Å
98D88.4Confident90.6Very high10 Ų1033.4 Ų33.45%0.05319%0.188CC..Hα-helixtrans-68.4-35.9179.4-65.1-18.6000110.9F92 R95 P96 F101 M102 T203 Y208F92-D98 HydrophobicContact CD1-CB 3.64Å; F92-D98 HydrophobicContact CE1-CB 3.86Å; R95-D98 HydrophobicContact CB-CB 4.27Å; R95-D98 VanDerWaalsContact CD-OD2 3.26Å; R95-D98 WeakPolarHBondContact CD-OD2 3.4Å; R95-D98 PolarHBondContact O-N 2.62Å; P96-D98 PolarHBondContact O-N 3.32Å; D98-F101 PolarHBondContact O-N 2.78Å; D98-M102 PolarHBondContact O-N 3.48Å; D98-T203 WeakPolarHBondContact OD1-CB 3.38Å; D98-T203 PolarHBondContact OD1-OG1 3.32Å; D98-Y208 PolarHBondContact OD1-OH 2.87Å
99Y92.4Very high90.6Very high0 Ų033.4 Ų33.40%019%0.189CC..Hα-helixtrans-67.8-44.9174.9-178-122.9000112.2I14 S84 L87 E88 F92 R95 P96 A97 F101 M102 L103I14-Y99 HydrophobicContact CB-CD1 3.94Å; I14-Y99 HydrophobicContact CB-CE1 3.79Å; I14-Y99 HydrophobicContact CD1-CD1 3.66Å; I14-Y99 HydrophobicContact CD1-CE1 4.4Å; I14-Y99 HydrophobicContact CG1-CD1 4.42Å; I14-Y99 HydrophobicContact CG2-CD1 3.85Å; I14-Y99 HydrophobicContact CG2-CE1 3.52Å; S84-Y99 PolarHBondContact OG-OH 3.45Å; L87-Y99 HydrophobicContact CB-CE2 4.22Å; L87-Y99 HydrophobicContact CD2-CD2 4.03Å; L87-Y99 HydrophobicContact CD2-CE2 3.72Å; L87-Y99 HydrophobicContact CG-CE2 4.42Å; E88-Y99 HydrophobicContact CB-CD1 4.03Å; E88-Y99 HydrophobicContact CB-CE1 3.97Å; E88-Y99 HydrophobicContact CB-CG 4.49Å; E88-Y99 HydrophobicContact CG-CD1 3.81Å; E88-Y99 HydrophobicContact CG-CE1 4.05Å; E88-Y99 HydrophobicContact CG-CG 4.47Å; F92-Y99 HydrophobicContact CB-CG 4.42Å; F92-Y99 AromaticContact CD2-CD2 3.63Å; F92-Y99 HydrophobicContact CD2-CD2 3.63Å; F92-Y99 HydrophobicContact CD2-CG 4.25Å; F92-Y99 HydrophobicContact CE2-CD2 4.06Å; F92-Y99 HydrophobicContact CG-CD2 4.23Å; F92-Y99 HydrophobicContact CG-CG 4.41Å; R95-Y99 PolarHBondContact O-N 2.66Å; P96-Y99 PolarHBondContact O-N 3.28Å; A97-Y99 VanDerWaalsContact C-N 3.33Å; Y99-F101 VanDerWaalsContact C-N 3.28Å; Y99-F101 PolarHBondContact O-N 2.66Å; Y99-M102 HydrophobicContact CD2-CE 4.04Å; Y99-M102 HydrophobicContact CE2-CE 3.69Å; Y99-M102 PolarHBondContact O-N 3.27Å; Y99-L103 HydrophobicContact CD1-CD1 4.31Å; Y99-L103 HydrophobicContact CE1-CD1 3.72Å; Y99-L103 HydrophobicContact CE1-CG 4.42Å; Y99-L103 HydrophobicContact CE2-CD1 4.36Å; Y99-L103 HydrophobicContact CE2-CD2 4.43Å; Y99-L103 HydrophobicContact CE2-CG 4.2Å; Y99-L103 PolarHBondContact O-N 2.8Å
100V92.5Very high90.7Very high20 Ų2029.8 Ų29.812%0.12117%0.167CC..Hα-helixtrans-60.3-41.5173.2174.70000110.7I14 P96 A97 L103 L104 L207 F211I14-V100 HydrophobicContact CD1-CG2 3.43Å; I14-V100 VanDerWaalsContact CD1-CG2 3.43Å; I14-V100 HydrophobicContact CG1-CG2 4.06Å; I14-V100 HydrophobicContact CG2-CG2 4.44Å; P96-V100 WeakPolarHBondContact O-CG2 3.34Å; P96-V100 PolarHBondContact O-N 3.23Å; A97-V100 PolarHBondContact O-N 3.07Å; V100-L103 PolarHBondContact O-N 2.87Å; V100-L104 HydrophobicContact CG1-CD1 3.8Å; V100-L104 HydrophobicContact CG1-CG 4.11Å; V100-L104 WeakPolarHBondContact O-CB 3.49Å; V100-L104 VanDerWaalsContact O-CG 3.32Å; V100-L104 WeakPolarHBondContact O-CG 3.34Å; V100-L104 PolarHBondContact O-N 3.32Å; V100-L207 HydrophobicContact CG1-CD2 3.89Å; V100-F211 HydrophobicContact CG1-CE2 4.35Å; V100-F211 HydrophobicContact CG2-CD2 4.06Å; V100-F211 HydrophobicContact CG2-CE2 3.93Å; V100-F211 HydrophobicContact CG2-CG 4.47Å; V100-F211 HydrophobicContact CG2-CZ 4.23Å
101F91.9Very high90.7Very high27 Ų2728.5 Ų28.512%0.11815%0.15CC..Hα-helixtrans-61.5-44.7177.5178.5-108.5000112.2A97 D98 Y99 L103 L104 F105 Y184 L201 T203 P204 L207A97-F101 WeakPolarHBondContact O-CB 3.39Å; A97-F101 PolarHBondContact O-N 2.73Å; D98-F101 PolarHBondContact O-N 2.78Å; Y99-F101 VanDerWaalsContact C-N 3.28Å; Y99-F101 PolarHBondContact O-N 2.66Å; F101-L103 VanDerWaalsContact C-N 3.35Å; F101-L103 PolarHBondContact O-N 3.3Å; F101-L104 PolarHBondContact O-N 2.97Å; F101-F105 WeakPolarHBondContact O-CB 3.43Å; F101-F105 PolarHBondContact O-N 3.28Å; F101-Y184 HydrophobicContact CD1-CE2 4.47Å; F101-Y184 HydrophobicContact CE1-CE2 4.45Å; F101-L201 HydrophobicContact CE1-CB 4.13Å; F101-L201 HydrophobicContact CZ-CB 4.31Å; F101-L201 HydrophobicContact CZ-CD2 4.29Å; F101-T203 HydrophobicContact CB-CG2 4.02Å; F101-T203 HydrophobicContact CG-CG2 4.44Å; F101-P204 VanDerWaalsContact CD2-CD 3.42Å; F101-P204 HydrophobicContact CD2-CG 4.29Å; F101-L207 HydrophobicContact CB-CD1 3.71Å; F101-L207 HydrophobicContact CD2-CD1 4.1Å; F101-L207 HydrophobicContact CG-CD1 4.38Å
102M93.8Very high90.8Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-57.1-48.3173.2-179.4-143.36900111.4L87 F92 D98 Y99 L104 F105 N106 V130 V133 Y184L87-M102 HydrophobicContact CD2-CE 3.88Å; L87-M102 HydrophobicContact CD2-SD 3.36Å; L87-M102 WeakPolarHBondContact CD2-SD 3.07Å; F92-M102 HydrophobicContact CE2-SD 4.1Å; F92-M102 HydrophobicContact CZ-CB 4.28Å; F92-M102 HydrophobicContact CZ-SD 4.39Å; D98-M102 PolarHBondContact O-N 3.48Å; Y99-M102 HydrophobicContact CD2-CE 4.04Å; Y99-M102 HydrophobicContact CE2-CE 3.69Å; Y99-M102 PolarHBondContact O-N 3.27Å; M102-L104 VanDerWaalsContact C-N 3.35Å; M102-L104 PolarHBondContact O-N 2.85Å; M102-F105 PolarHBondContact O-N 3Å; M102-N106 WeakPolarHBondContact O-CB 3.41Å; M102-N106 PolarHBondContact O-N 2.95Å; M102-V130 HydrophobicContact CE-CG2 3.84Å; M102-V133 HydrophobicContact SD-CB 4.22Å; M102-V133 HydrophobicContact SD-CG1 3.89Å; M102-V133 HydrophobicContact SD-CG2 4.29Å; M102-Y184 HydrophobicContact CB-CE1 4.04Å; M102-Y184 HydrophobicContact CB-CE2 3.92Å; M102-Y184 HydrophobicContact CG-CD1 3.81Å; M102-Y184 HydrophobicContact CG-CD2 4.28Å; M102-Y184 HydrophobicContact CG-CE1 3.46Å; M102-Y184 VanDerWaalsContact CG-CE1 3.46Å; M102-Y184 HydrophobicContact CG-CE2 3.95Å; M102-Y184 HydrophobicContact CG-CG 4.21Å; M102-Y184 HydrophobicContact SD-CE1 4.47Å
103L94Very high90.9Very high24 Ų2432.3 Ų32.313%0.12617%0.166CC..Hα-helixtrans-60.2-45178.6-72.6176.3000111.5I14 W18 Y99 V100 F101 W107 V130I14-L103 HydrophobicContact CG2-CD1 3.67Å; W18-L103 HydrophobicContact CE3-CD2 4.37Å; W18-L103 HydrophobicContact CH2-CD2 4.41Å; W18-L103 HydrophobicContact CZ3-CD2 4.04Å; Y99-L103 HydrophobicContact CD1-CD1 4.31Å; Y99-L103 HydrophobicContact CE1-CD1 3.72Å; Y99-L103 HydrophobicContact CE1-CG 4.42Å; Y99-L103 HydrophobicContact CE2-CD1 4.36Å; Y99-L103 HydrophobicContact CE2-CD2 4.43Å; Y99-L103 HydrophobicContact CE2-CG 4.2Å; Y99-L103 PolarHBondContact O-N 2.8Å; V100-L103 PolarHBondContact O-N 2.87Å; F101-L103 VanDerWaalsContact C-N 3.35Å; F101-L103 PolarHBondContact O-N 3.3Å; L103-W107 WeakPolarHBondContact O-CB 3.31Å; L103-W107 PolarHBondContact O-N 3.22Å; L103-V130 HydrophobicContact CD2-CG2 3.67Å
104L93.1Very high90.9Very high65 Ų6528.9 Ų28.934%0.3415%0.148SC..Hα-helixtrans-65.4-43.3178.7-73.3175.8000112.2V100 F101 M102 W107 I108 L207V100-L104 HydrophobicContact CG1-CD1 3.8Å; V100-L104 HydrophobicContact CG1-CG 4.11Å; V100-L104 WeakPolarHBondContact O-CB 3.49Å; V100-L104 VanDerWaalsContact O-CG 3.32Å; V100-L104 WeakPolarHBondContact O-CG 3.34Å; V100-L104 PolarHBondContact O-N 3.32Å; F101-L104 PolarHBondContact O-N 2.97Å; M102-L104 VanDerWaalsContact C-N 3.35Å; M102-L104 PolarHBondContact O-N 2.85Å; L104-W107 HydrophobicContact CD2-CE3 4.48Å; L104-W107 PolarHBondContact O-N 3.47Å; L104-I108 WeakPolarHBondContact O-CB 3.3Å; L104-I108 VanDerWaalsContact O-CG1 3.23Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 2.92Å; L104-L207 HydrophobicContact CD1-CD1 4.41Å; L104-L207 HydrophobicContact CD1-CD2 4.23Å
105F93.8Very high90.9Very high31 Ų3130 Ų3014%0.13615%0.15CC..Hα-helixtrans-61.1-51.9177178.3-87.4000110.8F101 M102 W107 I108 C109 L183 Y184 L187 L201F101-F105 WeakPolarHBondContact O-CB 3.43Å; F101-F105 PolarHBondContact O-N 3.28Å; M102-F105 PolarHBondContact O-N 3Å; F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.45Å; F105-I108 PolarHBondContact O-N 3.32Å; F105-C109 PolarHBondContact O-N 3.44Å; F105-C109 PolarHBondContact O-SG 3.36Å; F105-L183 HydrophobicContact CE1-CG 4.48Å; F105-L183 HydrophobicContact CZ-CD2 4.44Å; F105-L183 HydrophobicContact CZ-CG 4.39Å; F105-Y184 HydrophobicContact CB-CD2 4.19Å; F105-Y184 AromaticContact CD1-CD2 3.49Å; F105-Y184 HydrophobicContact CD1-CD2 3.49Å; F105-Y184 VanDerWaalsContact CD1-CD2 3.49Å; F105-Y184 HydrophobicContact CD1-CG 4.08Å; F105-Y184 HydrophobicContact CE1-CD2 4.06Å; F105-Y184 HydrophobicContact CE1-CG 4.42Å; F105-Y184 AromaticContact CG-CD2 3.92Å; F105-Y184 HydrophobicContact CG-CD2 3.92Å; F105-L187 HydrophobicContact CZ-CD1 3.95Å; F105-L201 HydrophobicContact CD2-CD1 4.16Å; F105-L201 HydrophobicContact CD2-CD2 4Å; F105-L201 HydrophobicContact CE2-CD1 3.81Å; F105-L201 HydrophobicContact CE2-CD2 3.71Å; F105-L201 HydrophobicContact CE2-CG 4.44Å; F105-L201 HydrophobicContact CZ-CD1 4.02Å
106N94.6Very high90.8Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-59.8-43.4178.1-72.20.6000110.7M102 C109 I110 L126 S129 V180 Y184M102-N106 WeakPolarHBondContact O-CB 3.41Å; M102-N106 PolarHBondContact O-N 2.95Å; N106-C109 PolarHBondContact O-N 3.19Å; N106-I110 WeakPolarHBondContact O-CB 3.42Å; N106-I110 WeakPolarHBondContact O-CD1 3.39Å; N106-I110 WeakPolarHBondContact O-CG1 3.31Å; N106-I110 PolarHBondContact O-N 3.13Å; N106-L126 HydrophobicContact CB-CD1 4.23Å; N106-S129 WeakPolarHBondContact ND2-CB 3.44Å; N106-S129 PolarHBondContact ND2-OG 3.42Å; N106-V180 HydrophobicContact CB-CG1 4.06Å; N106-Y184 VanDerWaalsContact OD1-CB 3.28Å; N106-Y184 WeakPolarHBondContact OD1-CB 3.45Å
107W93.8Very high90.6Very high65 Ų6537.2 Ų37.225%0.24619%0.19CC..Hα-helixtrans-58.3-49.3177.117975.7000112.2P56 V57 T60 L103 L104 F105 C109 I110 V111 L126P56-W107 HydrophobicContact CB-CZ2 3.95Å; V57-W107 HydrophobicContact CG2-CH2 4.05Å; V57-W107 HydrophobicContact CG2-CZ2 3.56Å; T60-W107 PolarHBondContact OG1-NE1 3.02Å; L103-W107 WeakPolarHBondContact O-CB 3.31Å; L103-W107 PolarHBondContact O-N 3.22Å; L104-W107 HydrophobicContact CD2-CE3 4.48Å; L104-W107 PolarHBondContact O-N 3.47Å; F105-W107 VanDerWaalsContact C-N 3.28Å; F105-W107 PolarHBondContact O-N 3.45Å; W107-C109 PolarHBondContact O-N 3.29Å; W107-I110 PolarHBondContact O-N 2.8Å; W107-V111 HydrophobicContact CD2-CG2 4.31Å; W107-V111 HydrophobicContact CZ2-CG2 4.25Å; W107-V111 WeakPolarHBondContact O-CB 3.33Å; W107-V111 VanDerWaalsContact O-CG2 3.25Å; W107-V111 WeakPolarHBondContact O-CG2 2.78Å; W107-V111 PolarHBondContact O-N 3.3Å; W107-L126 HydrophobicContact CB-CD1 4.33Å
108I92.1Very high90.3Very high87 Ų8741.1 Ų41.145%0.44621%0.211SC..Hα-helixtrans-60.3-47.8178.4-69.5164.5000110.7L104 F105 I110 V111 I112L104-I108 WeakPolarHBondContact O-CB 3.3Å; L104-I108 VanDerWaalsContact O-CG1 3.23Å; L104-I108 WeakPolarHBondContact O-CG1 3.25Å; L104-I108 PolarHBondContact O-N 2.92Å; F105-I108 PolarHBondContact O-N 3.32Å; I108-I110 VanDerWaalsContact C-N 3.34Å; I108-I110 PolarHBondContact O-N 2.63Å; I108-V111 PolarHBondContact O-N 3.46Å; I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 VanDerWaalsContact O-CG1 3.3Å; I108-I112 WeakPolarHBondContact O-CG1 3.48Å; I108-I112 PolarHBondContact O-N 2.94Å
109C92.6Very high90Very high20 Ų2041.3 Ų41.314%0.13521%0.212CC..Hα-helixtrans-61.8-40.3178.4-70.60000112.6F105 N106 W107 T113 V180F105-C109 PolarHBondContact O-N 3.44Å; F105-C109 PolarHBondContact O-SG 3.36Å; N106-C109 PolarHBondContact O-N 3.19Å; W107-C109 PolarHBondContact O-N 3.29Å; C109-T113 WeakPolarHBondContact O-CB 3.45Å; C109-T113 PolarHBondContact O-N 2.93Å; C109-T113 PolarHBondContact O-OG1 3.25Å; C109-V180 HydrophobicContact CB-CB 4.45Å; C109-V180 HydrophobicContact CB-CG1 3.59Å; C109-V180 HydrophobicContact CB-CG2 4Å
110I93Very high89.4Confident1 Ų147.3 Ų47.31%0.00523%0.234CC..Hα-helixtrans-67-40.8176.3-73.5161.8000110.9N106 W107 I108 T113 G114 L122 P125 L126 V180N106-I110 WeakPolarHBondContact O-CB 3.42Å; N106-I110 WeakPolarHBondContact O-CD1 3.39Å; N106-I110 WeakPolarHBondContact O-CG1 3.31Å; N106-I110 PolarHBondContact O-N 3.13Å; W107-I110 PolarHBondContact O-N 2.8Å; I108-I110 VanDerWaalsContact C-N 3.34Å; I108-I110 PolarHBondContact O-N 2.63Å; I110-T113 PolarHBondContact O-N 2.66Å; I110-G114 PolarHBondContact O-N 2.98Å; I110-L122 HydrophobicContact CG2-CB 3.95Å; I110-L122 HydrophobicContact CG2-CD1 4.36Å; I110-L122 HydrophobicContact CG2-CD2 3.82Å; I110-L122 HydrophobicContact CG2-CG 4.25Å; I110-P125 HydrophobicContact CD1-CB 4.06Å; I110-P125 HydrophobicContact CG1-CB 4.11Å; I110-P125 HydrophobicContact CG2-CB 3.86Å; I110-P125 HydrophobicContact CG2-CG 4.43Å; I110-L126 VanDerWaalsContact CD1-CA 3.44Å; I110-L126 HydrophobicContact CD1-CB 4.02Å; I110-L126 HydrophobicContact CD1-CD1 3.93Å; I110-V180 HydrophobicContact CD1-CG1 4.39Å; I110-V180 HydrophobicContact CG1-CB 4.14Å; I110-V180 HydrophobicContact CG1-CG1 4.05Å; I110-V180 HydrophobicContact CG1-CG2 3.95Å
111V89.1Confident89.1Confident19 Ų1948 Ų4812%0.11524%0.237CC..Hα-helixtrans-63.2-45.8177.2169.50000110.5P56 W107 I108 T113 G114 L115 L122P56-V111 HydrophobicContact CB-CG1 3.89Å; P56-V111 HydrophobicContact CB-CG2 3.72Å; P56-V111 HydrophobicContact CG-CG1 4.21Å; W107-V111 HydrophobicContact CD2-CG2 4.31Å; W107-V111 HydrophobicContact CZ2-CG2 4.25Å; W107-V111 WeakPolarHBondContact O-CB 3.33Å; W107-V111 VanDerWaalsContact O-CG2 3.25Å; W107-V111 WeakPolarHBondContact O-CG2 2.78Å; W107-V111 PolarHBondContact O-N 3.3Å; I108-V111 PolarHBondContact O-N 3.46Å; V111-T113 PolarHBondContact O-N 3.18Å; V111-G114 PolarHBondContact O-N 2.67Å; V111-L115 HydrophobicContact CG1-CD1 4.13Å; V111-L115 VanDerWaalsContact O-CG 3.28Å; V111-L115 WeakPolarHBondContact O-CG 3.5Å; V111-L115 PolarHBondContact O-N 3.24Å; V111-L122 HydrophobicContact CG2-CD1 3.94Å
112I89.3Confident88.9Confident90 Ų9046.7 Ų46.746%0.46223%0.231SC..Hα-helixtrans-59-49.5175.7-66.9165.6000110.1I108 G114 L115 L116I108-I112 HydrophobicContact CG2-CD1 3.82Å; I108-I112 VanDerWaalsContact O-CG1 3.3Å; I108-I112 WeakPolarHBondContact O-CG1 3.48Å; I108-I112 PolarHBondContact O-N 2.94Å; I112-G114 VanDerWaalsContact C-N 3.34Å; I112-G114 PolarHBondContact O-N 3.37Å; I112-L115 PolarHBondContact O-N 2.75Å; I112-L116 HydrophobicContact CG2-CD1 4.1Å; I112-L116 WeakPolarHBondContact O-CG 3.34Å; I112-L116 PolarHBondContact O-N 3.33Å; I112-L116 VanDerWaalsContact O-N 3.08Å
113T88.9Confident88.8Confident36 Ų3646.7 Ų46.722%0.22123%0.232CC..Hα-helixtrans-64.9-39.2-179.2-520000111.7C109 I110 V111 L115 L116 M117 T176C109-T113 WeakPolarHBondContact O-CB 3.45Å; C109-T113 PolarHBondContact O-N 2.93Å; C109-T113 PolarHBondContact O-OG1 3.25Å; I110-T113 PolarHBondContact O-N 2.66Å; V111-T113 PolarHBondContact O-N 3.18Å; T113-L115 VanDerWaalsContact C-N 3.34Å; T113-L115 PolarHBondContact O-N 3.07Å; T113-L116 PolarHBondContact O-N 3.44Å; T113-M117 HydrophobicContact CG2-CG 4.18Å; T113-M117 HydrophobicContact CG2-SD 3.54Å; T113-M117 VanDerWaalsContact CG2-SD 3.54Å; T113-M117 WeakPolarHBondContact O-CB 3.36Å; T113-M117 WeakPolarHBondContact O-CG 3.43Å; T113-M117 PolarHBondContact O-N 3.05Å; T113-T176 HydrophobicContact CG2-CG2 3.64Å
114G86.5Confident88.7Confident0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-66.3-34.2177.400000113.1I110 V111 I112 D118 M119I110-G114 PolarHBondContact O-N 2.98Å; V111-G114 PolarHBondContact O-N 2.67Å; I112-G114 VanDerWaalsContact C-N 3.34Å; I112-G114 PolarHBondContact O-N 3.37Å; G114-D118 CarbonylContact O-C 3.58Å; G114-D118 WeakPolarHBondContact O-CA 3.49Å; G114-D118 PolarHBondContact O-N 2.94Å; G114-D118 VanDerWaalsContact O-N 3.1Å; G114-M119 PolarHBondContact O-N 3.43Å
115L84.8Confident88.8Confident36 Ų3642.9 Ų42.919%0.18821%0.211CC..Hα-helixtrans-68.3-38.5172-71.4168.7000112.2L41 P43 V46 F47 V111 I112 T113L41-L115 HydrophobicContact CD2-CD2 3.61Å; L41-L115 HydrophobicContact CD2-CG 4Å; L41-L115 HydrophobicContact CG-CD2 4.46Å; P43-L115 HydrophobicContact CB-CD2 4.12Å; P43-L115 HydrophobicContact CG-CD2 4.38Å; V46-L115 HydrophobicContact CB-CD2 4.35Å; V46-L115 HydrophobicContact CG1-CD2 4.43Å; V46-L115 HydrophobicContact CG2-CD2 4.31Å; F47-L115 HydrophobicContact CE2-CD1 4.18Å; F47-L115 HydrophobicContact CE2-CD2 4.24Å; F47-L115 HydrophobicContact CZ-CD1 4.19Å; V111-L115 HydrophobicContact CG1-CD1 4.13Å; V111-L115 VanDerWaalsContact O-CG 3.28Å; V111-L115 WeakPolarHBondContact O-CG 3.5Å; V111-L115 PolarHBondContact O-N 3.24Å; I112-L115 PolarHBondContact O-N 2.75Å; T113-L115 VanDerWaalsContact C-N 3.34Å; T113-L115 PolarHBondContact O-N 3.07Å
116L85.8Confident88.8Confident144 Ų14441.9 Ų41.975%0.75421%0.207SC*.Hα-helixtrans-73.2-34179.2-67.9173.2000113.1I112 T113I112-L116 HydrophobicContact CG2-CD1 4.1Å; I112-L116 WeakPolarHBondContact O-CG 3.34Å; I112-L116 PolarHBondContact O-N 3.33Å; I112-L116 VanDerWaalsContact O-N 3.08Å; T113-L116 PolarHBondContact O-N 3.44Å
117M83.8Confident88.8Confident107 Ų10742 Ų4253%0.52721%0.208SC..THydrogen-bonded Turntrans-103.511-175.2-58.3-177.493.700113.4T113 M119T113-M117 HydrophobicContact CG2-CG 4.18Å; T113-M117 HydrophobicContact CG2-SD 3.54Å; T113-M117 VanDerWaalsContact CG2-SD 3.54Å; T113-M117 WeakPolarHBondContact O-CB 3.36Å; T113-M117 WeakPolarHBondContact O-CG 3.43Å; T113-M117 PolarHBondContact O-N 3.05Å; M117-M119 HydrophobicContact CB-CE 3.98Å; M117-M119 HydrophobicContact CB-CG 4.05Å; M117-M119 HydrophobicContact CE-CE 4.46Å; M117-M119 HydrophobicContact CG-CE 4.5Å; M117-M119 PolarHBondContact O-N 3.07Å; M117-M119 HydrophobicContact SD-CE 3.76Å
118D81.7Confident88.9Confident81 Ų8139 Ų3943%0.43320%0.197SC..THydrogen-bonded Turntrans49.938.8-176.1-164.639.6000114P43 G114 R120P43-D118 WeakPolarHBondContact CD-OD1 3.39Å; P43-D118 VanDerWaalsContact CG-OD1 3.23Å; P43-D118 WeakPolarHBondContact CG-OD1 3.33Å; G114-D118 CarbonylContact O-C 3.58Å; G114-D118 WeakPolarHBondContact O-CA 3.49Å; G114-D118 PolarHBondContact O-N 2.94Å; G114-D118 VanDerWaalsContact O-N 3.1Å; D118-R120 PolarHBondContact O-N 3.4Å
119M82.4Confident89.1Confident15 Ų1534.8 Ų34.87%0.07418%0.175CC..  trans-79.3117.1177.9-60.1-173.8174.500110.7L41 G114 M117 L122 M172 N173 T176L41-M119 WeakPolarHBondContact CB-O 3.27Å; G114-M119 PolarHBondContact O-N 3.43Å; M117-M119 HydrophobicContact CB-CE 3.98Å; M117-M119 HydrophobicContact CB-CG 4.05Å; M117-M119 HydrophobicContact CE-CE 4.46Å; M117-M119 HydrophobicContact CG-CE 4.5Å; M117-M119 PolarHBondContact O-N 3.07Å; M117-M119 HydrophobicContact SD-CE 3.76Å; M119-L122 HydrophobicContact CB-CD2 4.16Å; M119-M172 HydrophobicContact CE-CB 3.92Å; M119-N173 PolarHBondContact SD-OD1 3.49Å; M119-T176 WeakPolarHBondContact CE-OG1 3.26Å; M119-T176 HydrophobicContact SD-CG2 4.38Å
120R81Confident89.2Confident126 Ų12634 Ų3448%0.47517%0.169SC..SBendtrans-78.9-23.4-175.2-58.9-177.7-175.4-168.7-0.7114.5M40 L41 D118M40-R120 HydrophobicContact CB-CB 4.35Å; M40-R120 HydrophobicContact CG-CB 4.21Å; M40-R120 HydrophobicContact SD-CB 4.06Å; L41-R120 WeakPolarHBondContact CA-O 3.32Å; D118-R120 PolarHBondContact O-N 3.4Å
121L85.1Confident89.4Confident33 Ų3334 Ų3417%0.17317%0.169CC..  trans-129.7127.6-174.2-62.8171.9000110M40 Y62 P64M40-L121 HydrophobicContact CG-CD2 4.19Å; Y62-L121 HydrophobicContact CD1-CD2 3.71Å; Y62-L121 HydrophobicContact CE1-CD2 4.08Å; P64-L121 HydrophobicContact CG-CD1 3.72Å
122L88.3Confident89.7Confident0 Ų033.5 Ų33.50%017%0.166CC..  trans-117.92.8-170.6-57.9179.2000113.1L41 A59 T60 I110 V111 M119 P125 L126L41-L122 HydrophobicContact CD1-CD1 4.11Å; A59-L122 HydrophobicContact CB-CD1 4.38Å; A59-L122 HydrophobicContact CB-CG 4.43Å; A59-L122 PolarHBondContact O-N 3.41Å; T60-L122 HydrophobicContact CG2-CB 3.29Å; T60-L122 HydrophobicContact CG2-CD1 4Å; T60-L122 HydrophobicContact CG2-CG 4.29Å; I110-L122 HydrophobicContact CG2-CB 3.95Å; I110-L122 HydrophobicContact CG2-CD1 4.36Å; I110-L122 HydrophobicContact CG2-CD2 3.82Å; I110-L122 HydrophobicContact CG2-CG 4.25Å; V111-L122 HydrophobicContact CG2-CD1 3.94Å; M119-L122 HydrophobicContact CB-CD2 4.16Å; L122-P125 WeakPolarHBondContact O-CD 3.35Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 PolarHBondContact O-N 3.22Å
123M91.7Very high90Very high1 Ų129.2 Ų29.21%0.00514%0.144CC..Hα-helixtrans-63.1-50.7176.8-169.4177.410100112.6T60 F63 Y73 N76 L126 I127T60-M123 VanDerWaalsContact O-CA 3.24Å; T60-M123 WeakPolarHBondContact O-CA 3.28Å; T60-M123 VanDerWaalsContact O-CB 3.24Å; T60-M123 WeakPolarHBondContact O-CB 3.13Å; T60-M123 WeakPolarHBondContact O-CG 3.23Å; F63-M123 HydrophobicContact CB-CE 3.79Å; F63-M123 HydrophobicContact CB-SD 3.81Å; F63-M123 HydrophobicContact CD2-CE 3.96Å; F63-M123 HydrophobicContact CG-CE 3.98Å; Y73-M123 HydrophobicContact CD2-CE 3.82Å; Y73-M123 HydrophobicContact CE2-CE 4.02Å; N76-M123 HydrophobicContact CB-CE 4.16Å; M123-L126 PolarHBondContact O-N 3.38Å; M123-I127 HydrophobicContact CE-CD1 4.03Å; M123-I127 HydrophobicContact CG-CD1 3.76Å; M123-I127 WeakPolarHBondContact O-CG1 3.26Å; M123-I127 PolarHBondContact O-N 3.47Å; M123-I127 VanDerWaalsContact O-N 3.08Å
124I91.9Very high90.3Very high8 Ų827.7 Ų27.74%0.04113%0.134CC..Hα-helixtrans-60.1-52179.9-65.6172.1000111.4F63 L72 L126 I127 M128 N173 E174F63-I124 HydrophobicContact CE2-CD1 3.69Å; F63-I124 HydrophobicContact CE2-CG1 4.04Å; F63-I124 HydrophobicContact CZ-CD1 4.48Å; L72-I124 HydrophobicContact CD2-CD1 4.31Å; I124-L126 PolarHBondContact O-N 3.31Å; I124-I127 PolarHBondContact O-N 2.93Å; I124-M128 HydrophobicContact CG2-CE 4.3Å; I124-M128 HydrophobicContact CG2-CG 4.02Å; I124-M128 WeakPolarHBondContact O-CB 3.49Å; I124-M128 WeakPolarHBondContact O-CG 3.34Å; I124-M128 PolarHBondContact O-N 3.17Å; I124-N173 HydrophobicContact CB-CB 4.16Å; I124-N173 HydrophobicContact CG2-CB 4Å; I124-E174 HydrophobicContact CG2-CG 3.63Å
125P93.8Very high90.7Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-55.4-39.2178.4-22.429.2000113.1I110 L122 M128 S129 N173 T176 G177I110-P125 HydrophobicContact CD1-CB 4.06Å; I110-P125 HydrophobicContact CG1-CB 4.11Å; I110-P125 HydrophobicContact CG2-CB 3.86Å; I110-P125 HydrophobicContact CG2-CG 4.43Å; L122-P125 WeakPolarHBondContact O-CD 3.35Å; P125-M128 PolarHBondContact O-N 3.48Å; P125-S129 WeakPolarHBondContact O-CB 3.12Å; P125-S129 PolarHBondContact O-N 3.23Å; P125-N173 WeakPolarHBondContact CA-O 3.34Å; P125-N173 WeakPolarHBondContact CB-O 3.38Å; P125-N173 HydrophobicContact CG-CB 3.86Å; P125-N173 WeakPolarHBondContact CG-O 3.47Å; P125-T176 HydrophobicContact CB-CG2 4.41Å; P125-G177 WeakPolarHBondContact O-CA 3.29Å
126L94.8Very high91.1Very high10 Ų1027.2 Ų27.25%0.05213%0.131CC..Hα-helixtrans-66.8-47.5-179.8-173.764.3000111.4W18 N106 W107 I110 L122 M123 I124 M128 S129 V130W18-L126 HydrophobicContact CH2-CD2 4.49Å; W18-L126 HydrophobicContact CH2-CG 4.23Å; W18-L126 HydrophobicContact CZ2-CB 4.44Å; W18-L126 HydrophobicContact CZ2-CD2 3.6Å; W18-L126 HydrophobicContact CZ2-CG 3.73Å; N106-L126 HydrophobicContact CB-CD1 4.23Å; W107-L126 HydrophobicContact CB-CD1 4.33Å; I110-L126 VanDerWaalsContact CD1-CA 3.44Å; I110-L126 HydrophobicContact CD1-CB 4.02Å; I110-L126 HydrophobicContact CD1-CD1 3.93Å; L122-L126 WeakPolarHBondContact O-CB 3.36Å; L122-L126 PolarHBondContact O-N 3.22Å; M123-L126 PolarHBondContact O-N 3.38Å; I124-L126 PolarHBondContact O-N 3.31Å; L126-M128 VanDerWaalsContact C-N 3.32Å; L126-M128 PolarHBondContact O-N 3.31Å; L126-S129 PolarHBondContact O-N 3.16Å; L126-S129 PolarHBondContact O-OG 3.22Å; L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 2.9Å; L126-V130 VanDerWaalsContact O-N 3.16Å
127I95.2Very high91.3Very high3 Ų323.4 Ų23.42%0.01511%0.108CC..Hα-helixtrans-60.8-44.5177-64.9166.3000110.6W18 N76 F79 L80 M123 I124 S129 V130 L131W18-I127 HydrophobicContact CH2-CG1 4.17Å; W18-I127 HydrophobicContact CZ2-CG1 3.96Å; N76-I127 HydrophobicContact CB-CD1 3.99Å; F79-I127 HydrophobicContact CB-CG2 3.83Å; L80-I127 HydrophobicContact CB-CD1 4.02Å; L80-I127 HydrophobicContact CB-CG1 4Å; L80-I127 HydrophobicContact CB-CG2 4.39Å; L80-I127 HydrophobicContact CD1-CD1 4.02Å; L80-I127 HydrophobicContact CD1-CG1 4.02Å; L80-I127 HydrophobicContact CG-CG1 4.25Å; M123-I127 HydrophobicContact CE-CD1 4.03Å; M123-I127 HydrophobicContact CG-CD1 3.76Å; M123-I127 WeakPolarHBondContact O-CG1 3.26Å; M123-I127 PolarHBondContact O-N 3.47Å; M123-I127 VanDerWaalsContact O-N 3.08Å; I124-I127 PolarHBondContact O-N 2.93Å; I127-S129 VanDerWaalsContact C-N 3.32Å; I127-S129 PolarHBondContact O-N 3.47Å; I127-V130 PolarHBondContact O-N 2.94Å; I127-L131 WeakPolarHBondContact O-CB 3.4Å; I127-L131 PolarHBondContact O-N 2.98Å
128M95Very high91.7Very high1 Ų120.4 Ų20.41%0.0059%0.094CC..Hα-helixtrans-64.1-36.4178.1-68.3-51.4-179.800112.3I124 P125 L126 V130 L131 Y132 I160 E174I124-M128 HydrophobicContact CG2-CE 4.3Å; I124-M128 HydrophobicContact CG2-CG 4.02Å; I124-M128 WeakPolarHBondContact O-CB 3.49Å; I124-M128 WeakPolarHBondContact O-CG 3.34Å; I124-M128 PolarHBondContact O-N 3.17Å; P125-M128 PolarHBondContact O-N 3.48Å; L126-M128 VanDerWaalsContact C-N 3.32Å; L126-M128 PolarHBondContact O-N 3.31Å; M128-V130 PolarHBondContact O-N 3.23Å; M128-L131 PolarHBondContact O-N 2.9Å; M128-L131 HydrophobicContact SD-CD1 4.33Å; M128-Y132 VanDerWaalsContact O-CB 3.29Å; M128-Y132 WeakPolarHBondContact O-CB 3.48Å; M128-Y132 PolarHBondContact O-N 3.31Å; M128-I160 HydrophobicContact CE-CG2 3.41Å; M128-I160 VanDerWaalsContact CE-CG2 3.41Å; M128-I160 HydrophobicContact SD-CG2 3.99Å; M128-E174 HydrophobicContact CE-CG 3.81Å; M128-E174 HydrophobicContact CG-CB 4.26Å; M128-E174 HydrophobicContact CG-CG 4.03Å
129S96.2Very high92.2Very high0 Ų018.4 Ų18.40%09%0.087CC..Hα-helixtrans-62.7-41.5174.877.80000112.5N106 P125 L126 I127 Y132 V133 G177N106-S129 WeakPolarHBondContact ND2-CB 3.44Å; N106-S129 PolarHBondContact ND2-OG 3.42Å; P125-S129 WeakPolarHBondContact O-CB 3.12Å; P125-S129 PolarHBondContact O-N 3.23Å; L126-S129 PolarHBondContact O-N 3.16Å; L126-S129 PolarHBondContact O-OG 3.22Å; I127-S129 VanDerWaalsContact C-N 3.32Å; I127-S129 PolarHBondContact O-N 3.47Å; S129-Y132 PolarHBondContact O-N 3.45Å; S129-V133 WeakPolarHBondContact O-CG2 3.42Å; S129-V133 PolarHBondContact O-N 3.23Å; S129-G177 VanDerWaalsContact CA-O 3.23Å; S129-G177 WeakPolarHBondContact CA-O 3.38Å; S129-G177 WeakPolarHBondContact CB-O 3.43Å
130V95.9Very high92.7Very high2 Ų223.7 Ų23.71%0.01211%0.111CC..Hα-helixtrans-67.8-44.4178174.20000110.8W18 L87 M102 L103 L126 I127 M128 Y132 V133 W134W18-V130 HydrophobicContact CH2-CB 4.43Å; W18-V130 HydrophobicContact CH2-CG2 3.8Å; W18-V130 HydrophobicContact CZ3-CG2 4Å; L87-V130 HydrophobicContact CD2-CG1 4.24Å; M102-V130 HydrophobicContact CE-CG2 3.84Å; L103-V130 HydrophobicContact CD2-CG2 3.67Å; L126-V130 WeakPolarHBondContact O-CG2 3.22Å; L126-V130 PolarHBondContact O-N 2.9Å; L126-V130 VanDerWaalsContact O-N 3.16Å; I127-V130 PolarHBondContact O-N 2.94Å; M128-V130 PolarHBondContact O-N 3.23Å; V130-Y132 VanDerWaalsContact C-N 3.31Å; V130-Y132 PolarHBondContact O-N 3.44Å; V130-V133 PolarHBondContact O-N 3.47Å; V130-W134 PolarHBondContact O-N 3.29Å
131L95.6Very high93.2Very high1 Ų121.7 Ų21.71%0.00511%0.108CC..Hα-helixtrans-58.9-44.4174.9-175.4161.3000111F79 Y83 I127 M128 W134 A135 L156 P157 I160F79-L131 HydrophobicContact CB-CD1 4.41Å; F79-L131 HydrophobicContact CD2-CD1 4.33Å; F79-L131 HydrophobicContact CG-CD1 4.23Å; Y83-L131 HydrophobicContact CD2-CB 4.12Å; Y83-L131 HydrophobicContact CD2-CD1 3.52Å; Y83-L131 HydrophobicContact CD2-CG 3.65Å; Y83-L131 HydrophobicContact CE2-CD1 3.38Å; Y83-L131 HydrophobicContact CE2-CG 3.8Å; Y83-L131 HydrophobicContact CG-CB 4.36Å; Y83-L131 HydrophobicContact CG-CD1 4.41Å; Y83-L131 HydrophobicContact CG-CG 4.07Å; I127-L131 WeakPolarHBondContact O-CB 3.4Å; I127-L131 PolarHBondContact O-N 2.98Å; M128-L131 PolarHBondContact O-N 2.9Å; M128-L131 HydrophobicContact SD-CD1 4.33Å; L131-W134 WeakPolarHBondContact O-CB 3.36Å; L131-W134 PolarHBondContact O-N 3.26Å; L131-A135 WeakPolarHBondContact O-CB 3.39Å; L131-A135 PolarHBondContact O-N 3.29Å; L131-L156 HydrophobicContact CD1-CD2 4.47Å; L131-L156 HydrophobicContact CD2-CD2 3.77Å; L131-L156 HydrophobicContact CD2-CG 4Å; L131-L156 HydrophobicContact CG-CD2 4.14Å; L131-P157 HydrophobicContact CD2-CB 4.02Å; L131-P157 HydrophobicContact CD2-CG 3.76Å; L131-I160 HydrophobicContact CD1-CD1 3.35Å; L131-I160 HydrophobicContact CD2-CD1 4.19Å; L131-I160 HydrophobicContact CG-CD1 4.4Å
132Y95.8Very high93.6Very high9 Ų925.8 Ų25.84%0.03513%0.129CC..Hα-helixtrans-59.2-49.3176.6-174.2-81.3000111.5M128 S129 V130 W134 A135 Q136 P157 N178 G181 H182M128-Y132 VanDerWaalsContact O-CB 3.29Å; M128-Y132 WeakPolarHBondContact O-CB 3.48Å; M128-Y132 PolarHBondContact O-N 3.31Å; S129-Y132 PolarHBondContact O-N 3.45Å; V130-Y132 VanDerWaalsContact C-N 3.31Å; V130-Y132 PolarHBondContact O-N 3.44Å; Y132-W134 VanDerWaalsContact C-N 3.3Å; Y132-W134 PolarHBondContact O-N 3Å; Y132-A135 WeakPolarHBondContact O-CB 3.34Å; Y132-A135 PolarHBondContact O-N 3.15Å; Y132-A135 VanDerWaalsContact O-N 3.14Å; Y132-Q136 HydrophobicContact CD1-CG 3.87Å; Y132-Q136 HydrophobicContact CE1-CG 3.39Å; Y132-Q136 WeakPolarHBondContact O-CG 3.46Å; Y132-Q136 PolarHBondContact O-N 3.27Å; Y132-Q136 PolarHBondContact OH-NE2 3.46Å; Y132-Q136 VanDerWaalsContact OH-NE2 3.07Å; Y132-P157 HydrophobicContact CD2-CB 3.82Å; Y132-P157 HydrophobicContact CD2-CG 3.75Å; Y132-P157 HydrophobicContact CE2-CG 4.45Å; Y132-P157 HydrophobicContact CG-CG 4.37Å; Y132-N178 HydrophobicContact CD2-CB 4.04Å; Y132-N178 HydrophobicContact CE2-CB 4.49Å; Y132-G181 VanDerWaalsContact CD1-C 3.4Å; Y132-H182 HydrophobicContact CD1-CB 4.48Å; Y132-H182 HydrophobicContact CE1-CB 3.67Å; Y132-H182 AromaticContact CE1-ND1 3.89Å; Y132-H182 AromaticContact CZ-ND1 3.64Å; Y132-H182 PolarHBondContact OH-ND1 3.38Å
133V95.2Very high93.8Very high0 Ų026.4 Ų26.40%013%0.133CC..Hα-helixtrans-60-43178.3173.40000110.8L87 M102 S129 V130 A135 Q136 F137 Y184L87-V133 HydrophobicContact CD1-CG1 4.2Å; L87-V133 HydrophobicContact CD2-CG1 4.17Å; M102-V133 HydrophobicContact SD-CB 4.22Å; M102-V133 HydrophobicContact SD-CG1 3.89Å; M102-V133 HydrophobicContact SD-CG2 4.29Å; S129-V133 WeakPolarHBondContact O-CG2 3.42Å; S129-V133 PolarHBondContact O-N 3.23Å; V130-V133 PolarHBondContact O-N 3.47Å; V133-A135 VanDerWaalsContact C-N 3.34Å; V133-A135 PolarHBondContact O-N 2.93Å; V133-Q136 PolarHBondContact O-N 3.38Å; V133-F137 HydrophobicContact CG1-CD2 3.75Å; V133-F137 HydrophobicContact CG1-CE2 3.51Å; V133-F137 VanDerWaalsContact O-CD2 3.22Å; V133-F137 WeakPolarHBondContact O-CD2 3.42Å; V133-F137 PolarHBondContact O-N 3.28Å; V133-F137 VanDerWaalsContact O-N 3.11Å; V133-Y184 HydrophobicContact CG1-CD1 4.42Å; V133-Y184 HydrophobicContact CG1-CE1 4.38Å; V133-Y184 HydrophobicContact CG2-CD1 3.86Å
134W95.3Very high93.7Very high5 Ų530.3 Ų30.32%0.01916%0.16CC..Hα-helixtrans-58.7-45.4174.5179.983.2000112.4Y83 L87 V130 L131 Y132 Q136 F137 N138 M141 V143 A153 L156Y83-W134 HydrophobicContact CD1-CB 4.49Å; Y83-W134 AromaticContact CD1-CD2 3.55Å; Y83-W134 HydrophobicContact CD1-CD2 3.55Å; Y83-W134 AromaticContact CD1-CE3 3.43Å; Y83-W134 HydrophobicContact CD1-CE3 3.43Å; Y83-W134 VanDerWaalsContact CD1-CE3 3.43Å; Y83-W134 AromaticContact CD1-CG 4Å; Y83-W134 HydrophobicContact CD1-CG 4Å; Y83-W134 HydrophobicContact CD1-CH2 4.49Å; Y83-W134 AromaticContact CD1-CZ3 3.95Å; Y83-W134 HydrophobicContact CD1-CZ3 3.95Å; Y83-W134 HydrophobicContact CE1-CD2 4.03Å; Y83-W134 AromaticContact CE1-CE3 3.5Å; Y83-W134 HydrophobicContact CE1-CE3 3.5Å; Y83-W134 VanDerWaalsContact CE1-CE3 3.5Å; Y83-W134 HydrophobicContact CE1-CH2 4.07Å; Y83-W134 AromaticContact CE1-CZ3 3.52Å; Y83-W134 HydrophobicContact CE1-CZ3 3.52Å; L87-W134 VanDerWaalsContact CD1-CA 3.44Å; L87-W134 HydrophobicContact CD1-CB 3.65Å; L87-W134 HydrophobicContact CD1-CG 4.27Å; V130-W134 PolarHBondContact O-N 3.29Å; L131-W134 WeakPolarHBondContact O-CB 3.36Å; L131-W134 PolarHBondContact O-N 3.26Å; Y132-W134 VanDerWaalsContact C-N 3.3Å; Y132-W134 PolarHBondContact O-N 3Å; W134-Q136 VanDerWaalsContact C-N 3.3Å; W134-Q136 PolarHBondContact O-N 3.17Å; W134-F137 PolarHBondContact O-N 3.46Å; W134-N138 HydrophobicContact CZ2-CB 4.27Å; W134-N138 PolarHBondContact NE1-ND2 3.33Å; W134-N138 PolarHBondContact O-N 3.5Å; W134-N138 VanDerWaalsContact O-N 3.1Å; W134-N138 PolarHBondContact O-ND2 2.91Å; W134-M141 HydrophobicContact CH2-SD 4.05Å; W134-M141 HydrophobicContact CZ2-SD 3.84Å; W134-V143 HydrophobicContact CH2-CG1 3.5Å; W134-V143 HydrophobicContact CZ3-CG1 3.89Å; W134-A153 HydrophobicContact CH2-CB 4.24Å; W134-A153 HydrophobicContact CZ3-CB 3.89Å; W134-L156 HydrophobicContact CE3-CD2 4.2Å; W134-L156 HydrophobicContact CZ3-CD2 3.85Å
135A94.7Very high93.4Very high0 Ų031 Ų310%016%0.163CC..Hα-helixtrans-62.2-35.7179.100000112.5L131 Y132 V133 N138 S139 A153 P157L131-A135 WeakPolarHBondContact O-CB 3.39Å; L131-A135 PolarHBondContact O-N 3.29Å; Y132-A135 WeakPolarHBondContact O-CB 3.34Å; Y132-A135 PolarHBondContact O-N 3.15Å; Y132-A135 VanDerWaalsContact O-N 3.14Å; V133-A135 VanDerWaalsContact C-N 3.34Å; V133-A135 PolarHBondContact O-N 2.93Å; A135-N138 CarbonylContact O-C 3.53Å; A135-S139 WeakPolarHBondContact O-CA 3.35Å; A135-S139 PolarHBondContact O-N 3.42Å; A135-A153 VanDerWaalsContact CB-O 3.23Å; A135-A153 WeakPolarHBondContact CB-O 3.48Å; A135-P157 HydrophobicContact CB-CG 3.79Å
136Q93.3Very high92.8Very high25 Ų2535 Ų3512%0.11718%0.178CC..Hα-helixtrans-71.1-41.7176.1-64.1-49.3-34.300112.6Y132 V133 W134 N138 S139 H154 F185Y132-Q136 HydrophobicContact CD1-CG 3.87Å; Y132-Q136 HydrophobicContact CE1-CG 3.39Å; Y132-Q136 WeakPolarHBondContact O-CG 3.46Å; Y132-Q136 PolarHBondContact O-N 3.27Å; Y132-Q136 PolarHBondContact OH-NE2 3.46Å; Y132-Q136 VanDerWaalsContact OH-NE2 3.07Å; V133-Q136 PolarHBondContact O-N 3.38Å; W134-Q136 VanDerWaalsContact C-N 3.3Å; W134-Q136 PolarHBondContact O-N 3.17Å; Q136-N138 PolarHBondContact O-N 2.84Å; Q136-S139 PolarHBondContact O-N 3.04Å; Q136-H154 PolarHBondContact NE2-CE1 2.96Å; Q136-H154 VanDerWaalsContact NE2-CE1 3.3Å; Q136-H154 PolarHBondContact NE2-ND1 2.96Å; Q136-H154 VanDerWaalsContact NE2-ND1 3.12Å; Q136-H154 PolarHBondContact OE1-CE1 3.03Å; Q136-H154 PolarHBondContact OE1-ND1 3.26Å; Q136-F185 HydrophobicContact CB-CD1 4.11Å; Q136-F185 HydrophobicContact CB-CD2 3.56Å; Q136-F185 HydrophobicContact CB-CE1 4Å; Q136-F185 HydrophobicContact CB-CE2 3.44Å; Q136-F185 VanDerWaalsContact CB-CE2 3.44Å; Q136-F185 HydrophobicContact CB-CG 3.91Å; Q136-F185 HydrophobicContact CB-CZ 3.67Å; Q136-F185 HydrophobicContact CG-CD1 4.18Å; Q136-F185 HydrophobicContact CG-CD2 4.19Å; Q136-F185 HydrophobicContact CG-CE1 4.44Å; Q136-F185 HydrophobicContact CG-CE2 4.45Å; Q136-F185 HydrophobicContact CG-CG 4.06Å
137F90.8Very high92.1Very high64 Ų6443.3 Ų43.328%0.28121%0.214SC..Hα-helixtrans-63.7-29.6175.6-81.3-64000113.3L87 A91 F92 V133 W134 F185 F189L87-F137 HydrophobicContact CD1-CD2 4.05Å; A91-F137 HydrophobicContact CB-CD1 4.42Å; A91-F137 HydrophobicContact CB-CD2 3.89Å; A91-F137 HydrophobicContact CB-CE1 4.48Å; A91-F137 HydrophobicContact CB-CE2 3.95Å; A91-F137 HydrophobicContact CB-CG 4.12Å; A91-F137 HydrophobicContact CB-CZ 4.22Å; F92-F137 HydrophobicContact CE2-CE2 4.3Å; F92-F137 HydrophobicContact CZ-CE2 4.33Å; V133-F137 HydrophobicContact CG1-CD2 3.75Å; V133-F137 HydrophobicContact CG1-CE2 3.51Å; V133-F137 VanDerWaalsContact O-CD2 3.22Å; V133-F137 WeakPolarHBondContact O-CD2 3.42Å; V133-F137 PolarHBondContact O-N 3.28Å; V133-F137 VanDerWaalsContact O-N 3.11Å; W134-F137 PolarHBondContact O-N 3.46Å; F137-F185 HydrophobicContact CD1-CE2 4.39Å; F137-F185 HydrophobicContact CE1-CE2 4.44Å; F137-F189 HydrophobicContact CE1-CE1 4.07Å; F137-F189 HydrophobicContact CE1-CE2 4.2Å; F137-F189 AromaticContact CE1-CZ 3.94Å; F137-F189 HydrophobicContact CE1-CZ 3.94Å; F137-F189 HydrophobicContact CE2-CE2 4.14Å; F137-F189 HydrophobicContact CE2-CZ 4.25Å; F137-F189 HydrophobicContact CZ-CD2 4.28Å; F137-F189 AromaticContact CZ-CE1 3.88Å; F137-F189 HydrophobicContact CZ-CE1 3.88Å; F137-F189 AromaticContact CZ-CE2 3.5Å; F137-F189 HydrophobicContact CZ-CE2 3.5Å; F137-F189 VanDerWaalsContact CZ-CE2 3.5Å; F137-F189 AromaticContact CZ-CZ 3.29Å; F137-F189 HydrophobicContact CZ-CZ 3.29Å
138N93Very high91.5Very high44 Ų4445.9 Ų45.924%0.23524%0.241CC..THydrogen-bonded Turntrans-113.134.2-175.8-61.5-88.4000111.4W134 A135 Q136 E140 M141 A153W134-N138 HydrophobicContact CZ2-CB 4.27Å; W134-N138 PolarHBondContact NE1-ND2 3.33Å; W134-N138 PolarHBondContact O-N 3.5Å; W134-N138 VanDerWaalsContact O-N 3.1Å; W134-N138 PolarHBondContact O-ND2 2.91Å; A135-N138 CarbonylContact O-C 3.53Å; Q136-N138 PolarHBondContact O-N 2.84Å; N138-E140 PolarHBondContact O-N 2.81Å; N138-M141 HydrophobicContact CB-CB 3.97Å; N138-M141 HydrophobicContact CB-CE 4.16Å; N138-M141 HydrophobicContact CB-SD 4.4Å; N138-M141 VanDerWaalsContact O-CB 3.23Å; N138-M141 WeakPolarHBondContact O-CB 2.86Å; N138-M141 PolarHBondContact O-N 2.75Å; N138-M141 WeakPolarHBondContact OD1-CE 3.26Å; N138-A153 HydrophobicContact CB-CB 4.46Å; N138-A153 WeakPolarHBondContact O-CB 3.37Å
139S90.9Very high91.3Very high39 Ų3949 Ų4927%0.27326%0.261SS..THydrogen-bonded Turntrans-51.8-36.9-168.8660000114.4A135 Q136A135-S139 WeakPolarHBondContact O-CA 3.35Å; A135-S139 PolarHBondContact O-N 3.42Å; Q136-S139 PolarHBondContact O-N 3.04Å
140E92.7Very high91.1Very high126 Ų12658.2 Ų58.259%0.58930%0.295SS*.THydrogen-bonded Turntrans-86.4-11.2-179.4-60.7-49.2123.200114.2N138 I142 K152N138-E140 PolarHBondContact O-N 2.81Å; E140-I142 PolarHBondContact O-N 2.92Å; E140-K152 IonicContact OE1-NZ 2.71Å; E140-K152 IonicContact OE2-NZ 3.97Å; E140-K152 PolarHBondContact OE2-NZ 3.21Å
141M92.9Very high91Very high85 Ų8559.8 Ų59.842%0.41930%0.302SS..PPolyproline II helixtrans-67.8130.4179.1-173.3-177.9-68.900110W134 N138 V143 K152 A153W134-M141 HydrophobicContact CH2-SD 4.05Å; W134-M141 HydrophobicContact CZ2-SD 3.84Å; N138-M141 HydrophobicContact CB-CB 3.97Å; N138-M141 HydrophobicContact CB-CE 4.16Å; N138-M141 HydrophobicContact CB-SD 4.4Å; N138-M141 VanDerWaalsContact O-CB 3.23Å; N138-M141 WeakPolarHBondContact O-CB 2.86Å; N138-M141 PolarHBondContact O-N 2.75Å; N138-M141 WeakPolarHBondContact OD1-CE 3.26Å; M141-V143 PolarHBondContact O-N 3.33Å; M141-K152 CarbonylContact O-C 3.58Å; M141-A153 HydrophobicContact CB-CB 4.48Å; M141-A153 PolarHBondContact O-N 2.91Å
142I93.2Very high90.9Very high119 Ų11964.1 Ų64.161%0.6132%0.321SS*.EExtended strand (participates in β ladder)trans-82.6117.7173.9-57.3175.9000108.4E140 R150 F151E140-I142 PolarHBondContact O-N 2.92Å; I142-R150 HydrophobicContact CG2-CB 3.9Å; I142-F151 WeakPolarHBondContact CA-O 3.38Å
143V90.9Very high90.7Very high12 Ų1263.7 Ų63.77%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-101.6138.8175-64.60000110W134 M141 R150 F151 A153 L156W134-V143 HydrophobicContact CH2-CG1 3.5Å; W134-V143 HydrophobicContact CZ3-CG1 3.89Å; M141-V143 PolarHBondContact O-N 3.33Å; V143-R150 WeakPolarHBondContact O-CA 3.12Å; V143-F151 HydrophobicContact CG2-CD2 3.78Å; V143-F151 HydrophobicContact CG2-CE2 3.53Å; V143-F151 HydrophobicContact CG2-CZ 4.29Å; V143-F151 WeakPolarHBondContact CG2-O 3.32Å; V143-F151 PolarHBondContact N-O 3.12Å; V143-F151 PolarHBondContact O-N 2.86Å; V143-F151 VanDerWaalsContact O-N 3.11Å; V143-A153 HydrophobicContact CG1-CB 4.06Å; V143-L156 HydrophobicContact CG2-CB 4.44Å; V143-L156 HydrophobicContact CG2-CD1 4.2Å
144S89.7Confident90.6Very high83 Ų8366.9 Ų66.958%0.5833%0.334SS*.EExtended strand (participates in β ladder)trans-87.5127.3167.3-57.80000108.4T149S144-T149 CarbonylContact C-O 3.55Å; S144-T149 WeakPolarHBondContact CA-O 3.18Å
145F86.6Confident90.5Very high22 Ų2273 Ų7310%0.09636%0.358CS..  trans-109.3-175.6172.6-164.3-109.7000109.8F79 G148 T149 F151 L156 V159 I160 F163F79-F145 HydrophobicContact CZ-CE2 4.29Å; F145-G148 PolarHBondContact O-N 2.97Å; F145-T149 PolarHBondContact N-O 3.47Å; F145-F151 HydrophobicContact CB-CD1 4.42Å; F145-F151 HydrophobicContact CB-CE1 3.33Å; F145-F151 HydrophobicContact CB-CZ 3.51Å; F145-F151 HydrophobicContact CD1-CE1 4.31Å; F145-F151 HydrophobicContact CD1-CZ 4.47Å; F145-F151 HydrophobicContact CD2-CZ 4.26Å; F145-F151 AromaticContact CG-CE1 3.93Å; F145-F151 HydrophobicContact CG-CE1 3.93Å; F145-F151 AromaticContact CG-CZ 3.85Å; F145-F151 HydrophobicContact CG-CZ 3.85Å; F145-L156 HydrophobicContact CD2-CD1 3.86Å; F145-L156 HydrophobicContact CE2-CD1 4.29Å; F145-V159 HydrophobicContact CD1-CG1 3.81Å; F145-V159 HydrophobicContact CE1-CG1 3.84Å; F145-V159 HydrophobicContact CG-CG1 4.4Å; F145-V159 HydrophobicContact CZ-CG1 4.45Å; F145-I160 HydrophobicContact CE2-CD1 4.18Å; F145-I160 HydrophobicContact CE2-CG1 3.6Å; F145-I160 HydrophobicContact CZ-CG1 3.84Å; F145-F163 HydrophobicContact CE1-CB 4.47Å; F145-F163 HydrophobicContact CE1-CG 4.28Å; F145-F163 HydrophobicContact CZ-CD1 4.3Å; F145-F163 HydrophobicContact CZ-CG 4.45Å
146W80.1Confident90.4Very high84 Ų8473 Ų7332%0.31836%0.358SS..G310 helixtrans-55.6148.9-174.3-70.332.5000111.4F71 V75 G148 T149 F163F71-W146 AromaticContact CE1-CH2 3.68Å; F71-W146 HydrophobicContact CE1-CH2 3.68Å; F71-W146 HydrophobicContact CE1-CZ3 4.11Å; F71-W146 HydrophobicContact CE2-CH2 4.12Å; F71-W146 AromaticContact CZ-CH2 3.2Å; F71-W146 HydrophobicContact CZ-CH2 3.2Å; F71-W146 HydrophobicContact CZ-CZ2 4.36Å; F71-W146 AromaticContact CZ-CZ3 3.62Å; F71-W146 HydrophobicContact CZ-CZ3 3.62Å; V75-W146 HydrophobicContact CG1-CZ2 4.34Å; V75-W146 HydrophobicContact CG2-CH2 3.94Å; V75-W146 HydrophobicContact CG2-CZ2 3.82Å; W146-G148 PolarHBondContact O-N 3.44Å; W146-T149 PolarHBondContact O-N 2.72Å; W146-T149 PolarHBondContact O-OG1 2.84Å; W146-F163 HydrophobicContact CD2-CE1 4.22Å; W146-F163 HydrophobicContact CD2-CZ 4.01Å; W146-F163 AromaticContact CE3-CE1 3.89Å; W146-F163 HydrophobicContact CE3-CE1 3.89Å; W146-F163 HydrophobicContact CE3-CE2 4.31Å; W146-F163 AromaticContact CE3-CZ 3.36Å; W146-F163 HydrophobicContact CE3-CZ 3.36Å; W146-F163 AromaticContact CH2-CE1 3.98Å; W146-F163 HydrophobicContact CH2-CE1 3.98Å; W146-F163 HydrophobicContact CH2-CZ 4.15Å; W146-F163 HydrophobicContact CZ2-CE1 4.39Å; W146-F163 AromaticContact CZ3-CE1 3.75Å; W146-F163 HydrophobicContact CZ3-CE1 3.75Å; W146-F163 AromaticContact CZ3-CZ 3.44Å; W146-F163 HydrophobicContact CZ3-CZ 3.44Å; W146-F163 VanDerWaalsContact CZ3-CZ 3.44Å
147F80.9Confident90.4Very high185 Ų18571.9 Ų71.981%0.81135%0.353SS*.G310 helixtrans62.821.6-176-48.2-79.4000114.6T149 F163F147-T149 PolarHBondContact O-N 2.99Å; F147-F163 HydrophobicContact CE2-CE2 4.46Å
148G83.1Confident90.5Very high57 Ų5773.9 Ų73.959%0.58836%0.359SS*.G310 helixtrans7410.2176.800000114.1F145 W146F145-G148 PolarHBondContact O-N 2.97Å; W146-G148 PolarHBondContact O-N 3.44Å
149T90Very high90.5Very high67 Ų6774.1 Ų74.141%0.41136%0.361SS..  trans-64.6136174.555.70000109.9S144 F145 W146 F147S144-T149 CarbonylContact C-O 3.55Å; S144-T149 WeakPolarHBondContact CA-O 3.18Å; F145-T149 PolarHBondContact N-O 3.47Å; W146-T149 PolarHBondContact O-N 2.72Å; W146-T149 PolarHBondContact O-OG1 2.84Å; F147-T149 PolarHBondContact O-N 2.99Å
150R92Very high90.5Very high193 Ų19372.3 Ų72.373%0.72835%0.349SS*.EExtended strand (participates in β ladder)trans-122.5130.2-178.7-66.2-177.8-178.7171.82.5109.8I142 V143I142-R150 HydrophobicContact CG2-CB 3.9Å; V143-R150 WeakPolarHBondContact O-CA 3.12Å
151F93.4Very high90.4Very high35 Ų3566.8 Ų66.815%0.15432%0.323CS..EExtended strand (participates in β ladder)trans-151.6168.1177.852-102.3000110.7I142 V143 F145 L156 V159I142-F151 WeakPolarHBondContact CA-O 3.38Å; V143-F151 HydrophobicContact CG2-CD2 3.78Å; V143-F151 HydrophobicContact CG2-CE2 3.53Å; V143-F151 HydrophobicContact CG2-CZ 4.29Å; V143-F151 WeakPolarHBondContact CG2-O 3.32Å; V143-F151 PolarHBondContact N-O 3.12Å; V143-F151 PolarHBondContact O-N 2.86Å; V143-F151 VanDerWaalsContact O-N 3.11Å; F145-F151 HydrophobicContact CB-CD1 4.42Å; F145-F151 HydrophobicContact CB-CE1 3.33Å; F145-F151 HydrophobicContact CB-CZ 3.51Å; F145-F151 HydrophobicContact CD1-CE1 4.31Å; F145-F151 HydrophobicContact CD1-CZ 4.47Å; F145-F151 HydrophobicContact CD2-CZ 4.26Å; F145-F151 AromaticContact CG-CE1 3.93Å; F145-F151 HydrophobicContact CG-CE1 3.93Å; F145-F151 AromaticContact CG-CZ 3.85Å; F145-F151 HydrophobicContact CG-CZ 3.85Å; F151-L156 HydrophobicContact CE2-CB 3.82Å; F151-L156 HydrophobicContact CE2-CD1 3.78Å; F151-L156 HydrophobicContact CE2-CG 4.43Å; F151-L156 HydrophobicContact CZ-CD1 3.81Å; F151-V159 HydrophobicContact CD1-CG2 4.41Å; F151-V159 HydrophobicContact CE1-CB 4.23Å; F151-V159 HydrophobicContact CE1-CG1 3.86Å; F151-V159 HydrophobicContact CE1-CG2 3.97Å; F151-V159 HydrophobicContact CE2-CB 4.46Å; F151-V159 HydrophobicContact CE2-CG2 4.22Å; F151-V159 HydrophobicContact CZ-CB 3.87Å; F151-V159 HydrophobicContact CZ-CG1 3.83Å; F151-V159 HydrophobicContact CZ-CG2 3.87Å
152K93.6Very high90.3Very high93 Ų9366.7 Ų66.740%0.40433%0.327SS..EExtended strand (participates in β ladder)trans-68.3140176.9-67.5-168.1177.7-1650111.4E140 M141 H154 Y155E140-K152 IonicContact OE1-NZ 2.71Å; E140-K152 IonicContact OE2-NZ 3.97Å; E140-K152 PolarHBondContact OE2-NZ 3.21Å; M141-K152 CarbonylContact O-C 3.58Å; K152-H154 PolarHBondContact O-N 3.5Å; K152-Y155 HydrophobicContact CB-CD2 3.94Å; K152-Y155 HydrophobicContact CB-CE2 4.17Å; K152-Y155 PolarHBondContact O-N 3.36Å
153A92.7Very high90Very high0 Ų062.9 Ų62.90%031%0.306CS..G310 helixtrans-54.5-31.4-174.300000113.4W134 A135 N138 M141 V143 Y155 L156W134-A153 HydrophobicContact CH2-CB 4.24Å; W134-A153 HydrophobicContact CZ3-CB 3.89Å; A135-A153 VanDerWaalsContact CB-O 3.23Å; A135-A153 WeakPolarHBondContact CB-O 3.48Å; N138-A153 HydrophobicContact CB-CB 4.46Å; N138-A153 WeakPolarHBondContact O-CB 3.37Å; M141-A153 HydrophobicContact CB-CB 4.48Å; M141-A153 PolarHBondContact O-N 2.91Å; V143-A153 HydrophobicContact CG1-CB 4.06Å; A153-Y155 PolarHBondContact O-N 2.91Å; A153-Y155 VanDerWaalsContact O-N 3.14Å; A153-L156 WeakPolarHBondContact O-CB 3.41Å; A153-L156 PolarHBondContact O-N 3.35Å
154H93Very high89.8Confident67 Ų6762.5 Ų62.531%0.3130%0.304SS..G310 helixtrans-57.3-28176.1-176.786.7000113.9Q136 K152 P157Q136-H154 PolarHBondContact NE2-CE1 2.96Å; Q136-H154 VanDerWaalsContact NE2-CE1 3.3Å; Q136-H154 PolarHBondContact NE2-ND1 2.96Å; Q136-H154 VanDerWaalsContact NE2-ND1 3.12Å; Q136-H154 PolarHBondContact OE1-CE1 3.03Å; Q136-H154 PolarHBondContact OE1-ND1 3.26Å; K152-H154 PolarHBondContact O-N 3.5Å; H154-P157 WeakPolarHBondContact O-CD 3.46Å
155Y93.3Very high89.6Confident133 Ų13364.9 Ų64.952%0.52230%0.304SS..G310 helixtrans-81.4-16.1176.3-63.1-64.6000113.6K152 A153 P157 W158 V159K152-Y155 HydrophobicContact CB-CD2 3.94Å; K152-Y155 HydrophobicContact CB-CE2 4.17Å; K152-Y155 PolarHBondContact O-N 3.36Å; A153-Y155 PolarHBondContact O-N 2.91Å; A153-Y155 VanDerWaalsContact O-N 3.14Å; Y155-P157 VanDerWaalsContact C-CD 3.49Å; Y155-W158 PolarHBondContact O-N 2.98Å; Y155-W158 VanDerWaalsContact O-N 3.12Å; Y155-V159 WeakPolarHBondContact O-CG2 3.46Å; Y155-V159 PolarHBondContact O-N 2.98Å
156L93.1Very high89.6Confident1 Ų169.9 Ų69.91%0.00533%0.331CS..Hα-helixtrans-54.4-48.1-174.5-177.171.9000114.1Y83 L131 W134 V143 F145 F151 A153 W158 V159 I160Y83-L156 HydrophobicContact CE1-CD2 3.61Å; Y83-L156 HydrophobicContact CE2-CD2 4.26Å; Y83-L156 VanDerWaalsContact CZ-CD2 3.42Å; Y83-L156 WeakPolarHBondContact OH-CD2 3.48Å; L131-L156 HydrophobicContact CD1-CD2 4.47Å; L131-L156 HydrophobicContact CD2-CD2 3.77Å; L131-L156 HydrophobicContact CD2-CG 4Å; L131-L156 HydrophobicContact CG-CD2 4.14Å; W134-L156 HydrophobicContact CE3-CD2 4.2Å; W134-L156 HydrophobicContact CZ3-CD2 3.85Å; V143-L156 HydrophobicContact CG2-CB 4.44Å; V143-L156 HydrophobicContact CG2-CD1 4.2Å; F145-L156 HydrophobicContact CD2-CD1 3.86Å; F145-L156 HydrophobicContact CE2-CD1 4.29Å; F151-L156 HydrophobicContact CE2-CB 3.82Å; F151-L156 HydrophobicContact CE2-CD1 3.78Å; F151-L156 HydrophobicContact CE2-CG 4.43Å; F151-L156 HydrophobicContact CZ-CD1 3.81Å; A153-L156 WeakPolarHBondContact O-CB 3.41Å; A153-L156 PolarHBondContact O-N 3.35Å; L156-W158 PolarHBondContact O-N 3.46Å; L156-V159 PolarHBondContact O-N 3.48Å; L156-I160 HydrophobicContact CD1-CD1 3.83Å; L156-I160 HydrophobicContact CD1-CG1 4.27Å; L156-I160 HydrophobicContact CD2-CD1 4.47Å; L156-I160 HydrophobicContact CG-CD1 3.79Å; L156-I160 WeakPolarHBondContact O-CG1 3.33Å; L156-I160 PolarHBondContact O-N 3.2Å
157P93Very high89.7Confident0 Ų069.7 Ų69.70%034%0.335CS..Hα-helixtrans-64.4-29.3-177.9-16.130.4000112.4L131 Y132 A135 H154 Y155 L161 N178L131-P157 HydrophobicContact CD2-CB 4.02Å; L131-P157 HydrophobicContact CD2-CG 3.76Å; Y132-P157 HydrophobicContact CD2-CB 3.82Å; Y132-P157 HydrophobicContact CD2-CG 3.75Å; Y132-P157 HydrophobicContact CE2-CG 4.45Å; Y132-P157 HydrophobicContact CG-CG 4.37Å; A135-P157 HydrophobicContact CB-CG 3.79Å; H154-P157 WeakPolarHBondContact O-CD 3.46Å; Y155-P157 VanDerWaalsContact C-CD 3.49Å; P157-L161 WeakPolarHBondContact O-CB 3.18Å; P157-L161 PolarHBondContact O-N 3.3Å; P157-N178 VanDerWaalsContact CB-OD1 3.29Å; P157-N178 WeakPolarHBondContact CB-OD1 3.46Å; P157-N178 PolarHBondContact O-ND2 3.48Å
158W92.6Very high89.6Confident107 Ų10764.1 Ų64.141%0.40533%0.329SS..Hα-helixtrans-79.4-41.1178.8-57112.3000112.1Y155 L156 I160 L161 V162 L175Y155-W158 PolarHBondContact O-N 2.98Å; Y155-W158 VanDerWaalsContact O-N 3.12Å; L156-W158 PolarHBondContact O-N 3.46Å; W158-I160 VanDerWaalsContact C-N 3.32Å; W158-I160 PolarHBondContact O-N 2.87Å; W158-L161 HydrophobicContact CE3-CD1 4.37Å; W158-L161 HydrophobicContact CZ3-CD1 4.43Å; W158-L161 PolarHBondContact O-N 3.25Å; W158-V162 WeakPolarHBondContact O-CG2 3.47Å; W158-V162 PolarHBondContact O-N 2.92Å; W158-L175 HydrophobicContact CZ3-CD1 4.36Å
159V92Very high89.5Confident48 Ų4862 Ų6229%0.29131%0.308SS..Hα-helixtrans-61.8-43.2175.2172.40000110.4F145 F151 Y155 L156 V162 F163F145-V159 HydrophobicContact CD1-CG1 3.81Å; F145-V159 HydrophobicContact CE1-CG1 3.84Å; F145-V159 HydrophobicContact CG-CG1 4.4Å; F145-V159 HydrophobicContact CZ-CG1 4.45Å; F151-V159 HydrophobicContact CD1-CG2 4.41Å; F151-V159 HydrophobicContact CE1-CB 4.23Å; F151-V159 HydrophobicContact CE1-CG1 3.86Å; F151-V159 HydrophobicContact CE1-CG2 3.97Å; F151-V159 HydrophobicContact CE2-CB 4.46Å; F151-V159 HydrophobicContact CE2-CG2 4.22Å; F151-V159 HydrophobicContact CZ-CB 3.87Å; F151-V159 HydrophobicContact CZ-CG1 3.83Å; F151-V159 HydrophobicContact CZ-CG2 3.87Å; Y155-V159 WeakPolarHBondContact O-CG2 3.46Å; Y155-V159 PolarHBondContact O-N 2.98Å; L156-V159 PolarHBondContact O-N 3.48Å; V159-V162 PolarHBondContact O-N 3.5Å; V159-F163 VanDerWaalsContact O-CB 3.27Å; V159-F163 WeakPolarHBondContact O-CB 3.47Å; V159-F163 PolarHBondContact O-N 2.9Å
160I91.4Very high89.3Confident1 Ų161 Ų611%0.00530%0.304CS..Hα-helixtrans-63.9-43.5177.5-69.9170.8000111.1F79 M128 L131 F145 L156 W158 V162 F163 N164F79-I160 HydrophobicContact CE1-CD1 4.29Å; F79-I160 HydrophobicContact CE2-CD1 3.91Å; F79-I160 HydrophobicContact CE2-CG1 4.33Å; F79-I160 HydrophobicContact CE2-CG2 3.91Å; F79-I160 HydrophobicContact CZ-CD1 3.78Å; F79-I160 HydrophobicContact CZ-CG1 4.16Å; M128-I160 HydrophobicContact CE-CG2 3.41Å; M128-I160 VanDerWaalsContact CE-CG2 3.41Å; M128-I160 HydrophobicContact SD-CG2 3.99Å; L131-I160 HydrophobicContact CD1-CD1 3.35Å; L131-I160 HydrophobicContact CD2-CD1 4.19Å; L131-I160 HydrophobicContact CG-CD1 4.4Å; F145-I160 HydrophobicContact CE2-CD1 4.18Å; F145-I160 HydrophobicContact CE2-CG1 3.6Å; F145-I160 HydrophobicContact CZ-CG1 3.84Å; L156-I160 HydrophobicContact CD1-CD1 3.83Å; L156-I160 HydrophobicContact CD1-CG1 4.27Å; L156-I160 HydrophobicContact CD2-CD1 4.47Å; L156-I160 HydrophobicContact CG-CD1 3.79Å; L156-I160 WeakPolarHBondContact O-CG1 3.33Å; L156-I160 PolarHBondContact O-N 3.2Å; W158-I160 VanDerWaalsContact C-N 3.32Å; W158-I160 PolarHBondContact O-N 2.87Å; I160-V162 PolarHBondContact O-N 3.4Å; I160-F163 PolarHBondContact O-N 3.31Å; I160-N164 VanDerWaalsContact CG2-ND2 3.29Å; I160-N164 WeakPolarHBondContact CG2-ND2 3.36Å; I160-N164 WeakPolarHBondContact O-CB 3.32Å; I160-N164 PolarHBondContact O-N 3.01Å; I160-N164 PolarHBondContact O-ND2 3.44Å
161L91.4Very high89.2Confident11 Ų1155.2 Ų55.26%0.05828%0.284CS..Hα-helixtrans-58-45.7176.8176.5161000112.4P157 W158 F165 F171 E174 L175P157-L161 WeakPolarHBondContact O-CB 3.18Å; P157-L161 PolarHBondContact O-N 3.3Å; W158-L161 HydrophobicContact CE3-CD1 4.37Å; W158-L161 HydrophobicContact CZ3-CD1 4.43Å; W158-L161 PolarHBondContact O-N 3.25Å; L161-F165 WeakPolarHBondContact O-CB 3.28Å; L161-F165 PolarHBondContact O-N 3.08Å; L161-F165 VanDerWaalsContact O-N 3.11Å; L161-F171 HydrophobicContact CD1-CE2 4.4Å; L161-F171 HydrophobicContact CD2-CD2 3.67Å; L161-F171 HydrophobicContact CD2-CE2 3.28Å; L161-F171 HydrophobicContact CD2-CZ 4.2Å; L161-F171 HydrophobicContact CG-CD2 4.14Å; L161-F171 HydrophobicContact CG-CE2 4.07Å; L161-E174 VanDerWaalsContact CA-OE2 3.27Å; L161-E174 WeakPolarHBondContact CA-OE2 3.29Å; L161-E174 HydrophobicContact CG-CB 4.43Å; L161-L175 HydrophobicContact CD1-CB 4.21Å; L161-L175 HydrophobicContact CD1-CD1 4.14Å
162V90.3Very high89Confident83 Ų8358.4 Ų58.450%0.50330%0.301SS..Hα-helixtrans-66.2-42.7176173.60000111W158 V159 I160 F165 I166W158-V162 WeakPolarHBondContact O-CG2 3.47Å; W158-V162 PolarHBondContact O-N 2.92Å; V159-V162 PolarHBondContact O-N 3.5Å; I160-V162 PolarHBondContact O-N 3.4Å; V162-F165 WeakPolarHBondContact O-CB 3.49Å; V162-F165 PolarHBondContact O-N 2.95Å; V162-I166 HydrophobicContact CG1-CD1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 2.88Å
163F87.6Confident88.9Confident38 Ų3854.9 Ų54.917%0.16729%0.286CS..Hα-helixtrans-64.3-46.8-178.6-177.5-106.8000112.6F145 W146 F147 V159 I160 F165 I166 I167F145-F163 HydrophobicContact CE1-CB 4.47Å; F145-F163 HydrophobicContact CE1-CG 4.28Å; F145-F163 HydrophobicContact CZ-CD1 4.3Å; F145-F163 HydrophobicContact CZ-CG 4.45Å; W146-F163 HydrophobicContact CD2-CE1 4.22Å; W146-F163 HydrophobicContact CD2-CZ 4.01Å; W146-F163 AromaticContact CE3-CE1 3.89Å; W146-F163 HydrophobicContact CE3-CE1 3.89Å; W146-F163 HydrophobicContact CE3-CE2 4.31Å; W146-F163 AromaticContact CE3-CZ 3.36Å; W146-F163 HydrophobicContact CE3-CZ 3.36Å; W146-F163 AromaticContact CH2-CE1 3.98Å; W146-F163 HydrophobicContact CH2-CE1 3.98Å; W146-F163 HydrophobicContact CH2-CZ 4.15Å; W146-F163 HydrophobicContact CZ2-CE1 4.39Å; W146-F163 AromaticContact CZ3-CE1 3.75Å; W146-F163 HydrophobicContact CZ3-CE1 3.75Å; W146-F163 AromaticContact CZ3-CZ 3.44Å; W146-F163 HydrophobicContact CZ3-CZ 3.44Å; W146-F163 VanDerWaalsContact CZ3-CZ 3.44Å; F147-F163 HydrophobicContact CE2-CE2 4.46Å; V159-F163 VanDerWaalsContact O-CB 3.27Å; V159-F163 WeakPolarHBondContact O-CB 3.47Å; V159-F163 PolarHBondContact O-N 2.9Å; I160-F163 PolarHBondContact O-N 3.31Å; F163-F165 VanDerWaalsContact C-N 3.32Å; F163-F165 PolarHBondContact O-N 3.37Å; F163-I166 WeakPolarHBondContact O-CB 3.39Å; F163-I166 PolarHBondContact O-N 3.49Å; F163-I167 HydrophobicContact CD1-CD1 3.67Å; F163-I167 HydrophobicContact CD2-CD1 4.21Å; F163-I167 HydrophobicContact CE1-CD1 3.14Å; F163-I167 HydrophobicContact CE2-CD1 3.73Å; F163-I167 HydrophobicContact CG-CD1 4.19Å; F163-I167 HydrophobicContact CZ-CD1 3.18Å; F163-I167 HydrophobicContact CZ-CG1 4.47Å; F163-I167 PolarHBondContact O-N 3.22Å
164N85.4Confident88.8Confident5 Ų554.9 Ų54.93%0.02729%0.286CS..Hα-helixtrans-66.7-36177.4-78.7-38.6000111.7L72 I160 I166 I167 G168 G169 E174L72-N164 WeakPolarHBondContact CD1-OD1 3.42Å; I160-N164 VanDerWaalsContact CG2-ND2 3.29Å; I160-N164 WeakPolarHBondContact CG2-ND2 3.36Å; I160-N164 WeakPolarHBondContact O-CB 3.32Å; I160-N164 PolarHBondContact O-N 3.01Å; I160-N164 PolarHBondContact O-ND2 3.44Å; N164-I166 VanDerWaalsContact C-N 3.26Å; N164-I166 PolarHBondContact O-N 2.93Å; N164-I167 PolarHBondContact O-N 3.49Å; N164-I167 VanDerWaalsContact O-N 3.12Å; N164-G168 PolarHBondContact O-N 3.26Å; N164-G168 VanDerWaalsContact O-N 3.12Å; N164-G169 WeakPolarHBondContact O-CA 3.32Å; N164-G169 PolarHBondContact O-N 3.3Å; N164-E174 VanDerWaalsContact CB-CD 3.49Å; N164-E174 WeakPolarHBondContact CB-OE1 3.22Å; N164-E174 WeakPolarHBondContact CB-OE2 3.39Å; N164-E174 VanDerWaalsContact CG-OE1 3.24Å; N164-E174 PolarHBondContact ND2-OE1 3.31Å; N164-E174 PolarHBondContact ND2-OE2 2.81Å
165F85.7Confident88.9Confident132 Ų13254 Ų5458%0.57928%0.284SS*.Hα-helixtrans-56.4-41.6172.7177.2-108.6000111.9L161 V162 F163 I167 G168 F171L161-F165 WeakPolarHBondContact O-CB 3.28Å; L161-F165 PolarHBondContact O-N 3.08Å; L161-F165 VanDerWaalsContact O-N 3.11Å; V162-F165 WeakPolarHBondContact O-CB 3.49Å; V162-F165 PolarHBondContact O-N 2.95Å; F163-F165 VanDerWaalsContact C-N 3.32Å; F163-F165 PolarHBondContact O-N 3.37Å; F165-I167 VanDerWaalsContact C-N 3.34Å; F165-I167 PolarHBondContact O-N 2.71Å; F165-G168 PolarHBondContact O-N 2.94Å; F165-F171 HydrophobicContact CB-CD2 4.35Å; F165-F171 HydrophobicContact CD2-CB 4.09Å; F165-F171 HydrophobicContact CD2-CD2 4.2Å; F165-F171 HydrophobicContact CD2-CG 4.49Å; F165-F171 HydrophobicContact CG-CD2 4.41Å
166I86.3Confident88.9Confident128 Ų12848 Ų4866%0.65626%0.261SS*.Hα-helixtrans-65.8-35.3177.4-65.4164.3000112V162 F163 N164 G168V162-I166 HydrophobicContact CG1-CD1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.23Å; V162-I166 PolarHBondContact O-N 2.88Å; F163-I166 WeakPolarHBondContact O-CB 3.39Å; F163-I166 PolarHBondContact O-N 3.49Å; N164-I166 VanDerWaalsContact C-N 3.26Å; N164-I166 PolarHBondContact O-N 2.93Å; I166-G168 VanDerWaalsContact C-N 3.28Å; I166-G168 PolarHBondContact O-N 3.4Å
167I82.8Confident88.9Confident79 Ų7947.9 Ų47.941%0.40526%0.26SS..Hα-helixtrans-84.6-2.5-177.5-65.1169.2000112.3F163 N164 F165F163-I167 HydrophobicContact CD1-CD1 3.67Å; F163-I167 HydrophobicContact CD2-CD1 4.21Å; F163-I167 HydrophobicContact CE1-CD1 3.14Å; F163-I167 HydrophobicContact CE2-CD1 3.73Å; F163-I167 HydrophobicContact CG-CD1 4.19Å; F163-I167 HydrophobicContact CZ-CD1 3.18Å; F163-I167 HydrophobicContact CZ-CG1 4.47Å; F163-I167 PolarHBondContact O-N 3.22Å; N164-I167 PolarHBondContact O-N 3.49Å; N164-I167 VanDerWaalsContact O-N 3.12Å; F165-I167 VanDerWaalsContact C-N 3.34Å; F165-I167 PolarHBondContact O-N 2.71Å
168G79.4Confident89Confident68 Ų6848 Ų4870%0.70126%0.261SS*.THydrogen-bonded Turntrans85.621.9-178.100000113.8N164 F165 I166N164-G168 PolarHBondContact O-N 3.26Å; N164-G168 VanDerWaalsContact O-N 3.12Å; F165-G168 PolarHBondContact O-N 2.94Å; I166-G168 VanDerWaalsContact C-N 3.28Å; I166-G168 PolarHBondContact O-N 3.4Å
169G81.2Confident89.2Confident14 Ų1447.9 Ų47.914%0.14427%0.268CS..  trans-69.6167.8167.300000112.9N164 F171N164-G169 WeakPolarHBondContact O-CA 3.32Å; N164-G169 PolarHBondContact O-N 3.3Å; G169-F171 PolarHBondContact O-N 3.3Å
170S84.9Confident89.3Confident46 Ų4645.9 Ų45.932%0.32226%0.256SS..  trans-85.599.4-178.1177.50000111M172 N173 E174S170-M172 VanDerWaalsContact C-N 3.27Å; S170-M172 PolarHBondContact O-N 3.46Å; S170-N173 VanDerWaalsContact CB-ND2 3.31Å; S170-N173 WeakPolarHBondContact CB-ND2 3.42Å; S170-N173 PolarHBondContact O-N 2.88Å; S170-N173 VanDerWaalsContact OG-CG 3.22Å; S170-N173 PolarHBondContact OG-N 3.42Å; S170-N173 PolarHBondContact OG-ND2 2.94Å; S170-N173 VanDerWaalsContact OG-ND2 3.07Å; S170-E174 PolarHBondContact O-N 3.29Å
171F89Confident89.5Confident71 Ų7145.9 Ų45.931%0.31126%0.255SS..Hα-helixtrans-53.2-43.2176.3178.9-88.2000112.9L161 F165 G169 N173 E174 L175L161-F171 HydrophobicContact CD1-CE2 4.4Å; L161-F171 HydrophobicContact CD2-CD2 3.67Å; L161-F171 HydrophobicContact CD2-CE2 3.28Å; L161-F171 HydrophobicContact CD2-CZ 4.2Å; L161-F171 HydrophobicContact CG-CD2 4.14Å; L161-F171 HydrophobicContact CG-CE2 4.07Å; F165-F171 HydrophobicContact CB-CD2 4.35Å; F165-F171 HydrophobicContact CD2-CB 4.09Å; F165-F171 HydrophobicContact CD2-CD2 4.2Å; F165-F171 HydrophobicContact CD2-CG 4.49Å; F165-F171 HydrophobicContact CG-CD2 4.41Å; G169-F171 PolarHBondContact O-N 3.3Å; F171-N173 PolarHBondContact O-N 3.3Å; F171-E174 PolarHBondContact O-N 3.05Å; F171-L175 HydrophobicContact CE1-CB 4.4Å; F171-L175 HydrophobicContact CE1-CD2 3.9Å; F171-L175 HydrophobicContact CZ-CD2 4.49Å; F171-L175 WeakPolarHBondContact O-CB 3.47Å; F171-L175 PolarHBondContact O-N 3.43Å
172M90.4Very high89.6Confident101 Ų10149.3 Ų49.350%0.49827%0.271SS..Hα-helixtrans-65.1-40.3-177.3-66.3-59.2152.700112M119 S170 E174 L175 T176M119-M172 HydrophobicContact CE-CB 3.92Å; S170-M172 VanDerWaalsContact C-N 3.27Å; S170-M172 PolarHBondContact O-N 3.46Å; M172-E174 VanDerWaalsContact C-N 3.29Å; M172-E174 PolarHBondContact O-N 3.01Å; M172-L175 PolarHBondContact O-N 3.4Å; M172-T176 WeakPolarHBondContact O-CB 3.29Å; M172-T176 PolarHBondContact O-N 2.83Å; M172-T176 PolarHBondContact O-OG1 3.32Å; M172-T176 VanDerWaalsContact O-OG1 3.07Å
173N90.5Very high89.8Confident19 Ų1948.8 Ų48.810%0.10227%0.265CS..Hα-helixtrans-62.9-39.6178.2-74.9-17.9000111.7M119 I124 P125 S170 F171 G177M119-N173 PolarHBondContact SD-OD1 3.49Å; I124-N173 HydrophobicContact CB-CB 4.16Å; I124-N173 HydrophobicContact CG2-CB 4Å; P125-N173 WeakPolarHBondContact CA-O 3.34Å; P125-N173 WeakPolarHBondContact CB-O 3.38Å; P125-N173 HydrophobicContact CG-CB 3.86Å; P125-N173 WeakPolarHBondContact CG-O 3.47Å; S170-N173 VanDerWaalsContact CB-ND2 3.31Å; S170-N173 WeakPolarHBondContact CB-ND2 3.42Å; S170-N173 PolarHBondContact O-N 2.88Å; S170-N173 VanDerWaalsContact OG-CG 3.22Å; S170-N173 PolarHBondContact OG-N 3.42Å; S170-N173 PolarHBondContact OG-ND2 2.94Å; S170-N173 VanDerWaalsContact OG-ND2 3.07Å; F171-N173 PolarHBondContact O-N 3.3Å; N173-G177 PolarHBondContact O-N 3.2Å
174E92Very high90Very high1 Ų147 Ų471%0.00526%0.257CS..Hα-helixtrans-74.2-42.3-178.5-64.6180-137.700112I124 M128 L161 N164 S170 F171 M172 T176 G177 N178I124-E174 HydrophobicContact CG2-CG 3.63Å; M128-E174 HydrophobicContact CE-CG 3.81Å; M128-E174 HydrophobicContact CG-CB 4.26Å; M128-E174 HydrophobicContact CG-CG 4.03Å; L161-E174 VanDerWaalsContact CA-OE2 3.27Å; L161-E174 WeakPolarHBondContact CA-OE2 3.29Å; L161-E174 HydrophobicContact CG-CB 4.43Å; N164-E174 VanDerWaalsContact CB-CD 3.49Å; N164-E174 WeakPolarHBondContact CB-OE1 3.22Å; N164-E174 WeakPolarHBondContact CB-OE2 3.39Å; N164-E174 VanDerWaalsContact CG-OE1 3.24Å; N164-E174 PolarHBondContact ND2-OE1 3.31Å; N164-E174 PolarHBondContact ND2-OE2 2.81Å; S170-E174 PolarHBondContact O-N 3.29Å; F171-E174 PolarHBondContact O-N 3.05Å; M172-E174 VanDerWaalsContact C-N 3.29Å; M172-E174 PolarHBondContact O-N 3.01Å; E174-T176 VanDerWaalsContact C-N 3.34Å; E174-T176 PolarHBondContact O-N 3.11Å; E174-G177 PolarHBondContact O-N 3.43Å; E174-N178 PolarHBondContact O-N 2.83Å
175L93.8Very high90.2Very high48 Ų4848.6 Ų48.625%0.25126%0.264SS..Hα-helixtrans-60.5-45.5174.3-17565.1000111W158 L161 F171 M172 G177 N178 L179W158-L175 HydrophobicContact CZ3-CD1 4.36Å; L161-L175 HydrophobicContact CD1-CB 4.21Å; L161-L175 HydrophobicContact CD1-CD1 4.14Å; F171-L175 HydrophobicContact CE1-CB 4.4Å; F171-L175 HydrophobicContact CE1-CD2 3.9Å; F171-L175 HydrophobicContact CZ-CD2 4.49Å; F171-L175 WeakPolarHBondContact O-CB 3.47Å; F171-L175 PolarHBondContact O-N 3.43Å; M172-L175 PolarHBondContact O-N 3.4Å; L175-G177 VanDerWaalsContact C-N 3.32Å; L175-G177 PolarHBondContact O-N 3.19Å; L175-N178 PolarHBondContact O-N 3.38Å; L175-L179 HydrophobicContact CG-CD1 4.15Å; L175-L179 HydrophobicContact CG-CG 4.46Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 3.31Å
176T93.8Very high90.4Very high6 Ų645.8 Ų45.84%0.03725%0.252CS..Hα-helixtrans-59.2-43.3175.5-68.10000111.6T113 M119 P125 M172 E174 N178 L179 V180T113-T176 HydrophobicContact CG2-CG2 3.64Å; M119-T176 WeakPolarHBondContact CE-OG1 3.26Å; M119-T176 HydrophobicContact SD-CG2 4.38Å; P125-T176 HydrophobicContact CB-CG2 4.41Å; M172-T176 WeakPolarHBondContact O-CB 3.29Å; M172-T176 PolarHBondContact O-N 2.83Å; M172-T176 PolarHBondContact O-OG1 3.32Å; M172-T176 VanDerWaalsContact O-OG1 3.07Å; E174-T176 VanDerWaalsContact C-N 3.34Å; E174-T176 PolarHBondContact O-N 3.11Å; T176-N178 PolarHBondContact O-N 3.48Å; T176-L179 PolarHBondContact O-N 3.22Å; T176-V180 HydrophobicContact CG2-CG2 4.43Å; T176-V180 WeakPolarHBondContact O-CG2 3.49Å; T176-V180 PolarHBondContact O-N 3.45Å
177G94.3Very high90.4Very high0 Ų041.6 Ų41.60%023%0.23CC..Hα-helixtrans-60.3-44.917500000113P125 S129 N173 E174 L175 V180 G181P125-G177 WeakPolarHBondContact O-CA 3.29Å; S129-G177 VanDerWaalsContact CA-O 3.23Å; S129-G177 WeakPolarHBondContact CA-O 3.38Å; S129-G177 WeakPolarHBondContact CB-O 3.43Å; N173-G177 PolarHBondContact O-N 3.2Å; E174-G177 PolarHBondContact O-N 3.43Å; L175-G177 VanDerWaalsContact C-N 3.32Å; L175-G177 PolarHBondContact O-N 3.19Å; G177-V180 PolarHBondContact O-N 3.12Å; G177-G181 PolarHBondContact O-N 3.34Å
178N95.2Very high90.4Very high2 Ų238.9 Ų38.91%0.01122%0.216CC..Hα-helixtrans-63-42.8176.9-73.1-15.9000112.2Y132 P157 E174 L175 T176 G181 H182Y132-N178 HydrophobicContact CD2-CB 4.04Å; Y132-N178 HydrophobicContact CE2-CB 4.49Å; P157-N178 VanDerWaalsContact CB-OD1 3.29Å; P157-N178 WeakPolarHBondContact CB-OD1 3.46Å; P157-N178 PolarHBondContact O-ND2 3.48Å; E174-N178 PolarHBondContact O-N 2.83Å; L175-N178 PolarHBondContact O-N 3.38Å; T176-N178 PolarHBondContact O-N 3.48Å; N178-G181 PolarHBondContact O-N 3.2Å; N178-H182 WeakPolarHBondContact O-CB 3.27Å; N178-H182 PolarHBondContact O-N 3.18Å
179L95.4Very high90.5Very high105 Ų10536.1 Ų36.155%0.5519%0.185SC..Hα-helixtrans-64.6-44.5177.7-72.2173.4000111.9L175 T176 H182 L183L175-L179 HydrophobicContact CG-CD1 4.15Å; L175-L179 HydrophobicContact CG-CG 4.46Å; L175-L179 WeakPolarHBondContact O-CB 3.38Å; L175-L179 WeakPolarHBondContact O-CG 3.32Å; L175-L179 PolarHBondContact O-N 3.31Å; T176-L179 PolarHBondContact O-N 3.22Å; L179-H182 PolarHBondContact O-N 3.03Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 3.1Å
180V95.5Very high90.4Very high6 Ų640.2 Ų40.24%0.03620%0.199CC..Hα-helixtrans-67.2-42.1178.1172.40000111.2N106 C109 I110 T176 G177 H182 L183 Y184N106-V180 HydrophobicContact CB-CG1 4.06Å; C109-V180 HydrophobicContact CB-CB 4.45Å; C109-V180 HydrophobicContact CB-CG1 3.59Å; C109-V180 HydrophobicContact CB-CG2 4Å; I110-V180 HydrophobicContact CD1-CG1 4.39Å; I110-V180 HydrophobicContact CG1-CB 4.14Å; I110-V180 HydrophobicContact CG1-CG1 4.05Å; I110-V180 HydrophobicContact CG1-CG2 3.95Å; T176-V180 HydrophobicContact CG2-CG2 4.43Å; T176-V180 WeakPolarHBondContact O-CG2 3.49Å; T176-V180 PolarHBondContact O-N 3.45Å; G177-V180 PolarHBondContact O-N 3.12Å; V180-H182 VanDerWaalsContact C-N 3.28Å; V180-H182 PolarHBondContact O-N 3.19Å; V180-L183 WeakPolarHBondContact O-CB 3.35Å; V180-L183 PolarHBondContact O-N 3.04Å; V180-Y184 PolarHBondContact O-N 3.31Å
181G94.2Very high90.1Very high0 Ų040.7 Ų40.70%019%0.194CC..Hα-helixtrans-59.8-40173.800000112.1Y132 G177 N178 F185Y132-G181 VanDerWaalsContact CD1-C 3.4Å; G177-G181 PolarHBondContact O-N 3.34Å; N178-G181 PolarHBondContact O-N 3.2Å; G181-F185 WeakPolarHBondContact O-CB 3.27Å; G181-F185 PolarHBondContact O-N 3.07Å
182H94.4Very high89.4Confident83 Ų8339 Ų3938%0.38419%0.19SC..Hα-helixtrans-65.3-43.6174-169.972.6000112.3Y132 N178 L179 V180 Y184 F185 F186Y132-H182 HydrophobicContact CD1-CB 4.48Å; Y132-H182 HydrophobicContact CE1-CB 3.67Å; Y132-H182 AromaticContact CE1-ND1 3.89Å; Y132-H182 AromaticContact CZ-ND1 3.64Å; Y132-H182 PolarHBondContact OH-ND1 3.38Å; N178-H182 WeakPolarHBondContact O-CB 3.27Å; N178-H182 PolarHBondContact O-N 3.18Å; L179-H182 PolarHBondContact O-N 3.03Å; V180-H182 VanDerWaalsContact C-N 3.28Å; V180-H182 PolarHBondContact O-N 3.19Å; H182-Y184 PolarHBondContact O-N 2.95Å; H182-F185 PolarHBondContact O-N 3.1Å; H182-F186 WeakPolarHBondContact O-CB 3.46Å; H182-F186 PolarHBondContact O-N 3.32Å
183L93.6Very high88.5Confident72 Ų7241 Ų4138%0.37720%0.2SC..Hα-helixtrans-58.3-47.3177.7179.463.8000111.4F105 L179 V180 F186 L187F105-L183 HydrophobicContact CE1-CG 4.48Å; F105-L183 HydrophobicContact CZ-CD2 4.44Å; F105-L183 HydrophobicContact CZ-CG 4.39Å; L179-L183 WeakPolarHBondContact O-CB 3.48Å; L179-L183 PolarHBondContact O-N 3.1Å; V180-L183 WeakPolarHBondContact O-CB 3.35Å; V180-L183 PolarHBondContact O-N 3.04Å; L183-F186 PolarHBondContact O-N 2.93Å; L183-L187 HydrophobicContact CD1-CD1 3.7Å; L183-L187 HydrophobicContact CD1-CG 4.09Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.2Å
184Y92.3Very high87.6Confident1 Ų145.4 Ų45.40%0.00422%0.223CC..Hα-helixtrans-59.4-51.7174.9174.3-97.2000111.3F101 M102 F105 N106 V133 V180 H182 F186 L187 M188 F189 L201F101-Y184 HydrophobicContact CD1-CE2 4.47Å; F101-Y184 HydrophobicContact CE1-CE2 4.45Å; M102-Y184 HydrophobicContact CB-CE1 4.04Å; M102-Y184 HydrophobicContact CB-CE2 3.92Å; M102-Y184 HydrophobicContact CG-CD1 3.81Å; M102-Y184 HydrophobicContact CG-CD2 4.28Å; M102-Y184 HydrophobicContact CG-CE1 3.46Å; M102-Y184 VanDerWaalsContact CG-CE1 3.46Å; M102-Y184 HydrophobicContact CG-CE2 3.95Å; M102-Y184 HydrophobicContact CG-CG 4.21Å; M102-Y184 HydrophobicContact SD-CE1 4.47Å; F105-Y184 HydrophobicContact CB-CD2 4.19Å; F105-Y184 AromaticContact CD1-CD2 3.49Å; F105-Y184 HydrophobicContact CD1-CD2 3.49Å; F105-Y184 VanDerWaalsContact CD1-CD2 3.49Å; F105-Y184 HydrophobicContact CD1-CG 4.08Å; F105-Y184 HydrophobicContact CE1-CD2 4.06Å; F105-Y184 HydrophobicContact CE1-CG 4.42Å; F105-Y184 AromaticContact CG-CD2 3.92Å; F105-Y184 HydrophobicContact CG-CD2 3.92Å; N106-Y184 VanDerWaalsContact OD1-CB 3.28Å; N106-Y184 WeakPolarHBondContact OD1-CB 3.45Å; V133-Y184 HydrophobicContact CG1-CD1 4.42Å; V133-Y184 HydrophobicContact CG1-CE1 4.38Å; V133-Y184 HydrophobicContact CG2-CD1 3.86Å; V180-Y184 PolarHBondContact O-N 3.31Å; H182-Y184 PolarHBondContact O-N 2.95Å; Y184-F186 VanDerWaalsContact C-N 3.29Å; Y184-F186 PolarHBondContact O-N 2.78Å; Y184-L187 PolarHBondContact O-N 2.76Å; Y184-M188 HydrophobicContact CE1-CB 4.36Å; Y184-M188 HydrophobicContact CE1-CG 4.49Å; Y184-M188 HydrophobicContact CE2-CB 4.29Å; Y184-M188 HydrophobicContact CE2-CG 4.39Å; Y184-M188 WeakPolarHBondContact O-CB 3.3Å; Y184-M188 PolarHBondContact O-N 3.32Å; Y184-F189 HydrophobicContact CD1-CE2 4.49Å; Y184-F189 AromaticContact CE1-CE2 3.78Å; Y184-F189 HydrophobicContact CE1-CE2 3.78Å; Y184-F189 HydrophobicContact CE1-CZ 4.43Å; Y184-L201 HydrophobicContact CD2-CD1 4.41Å
185F89.8Confident86.4Confident38 Ų3850.6 Ų50.617%0.16725%0.251CS..Hα-helixtrans-62-39.7-177.1-171-90.9000111.9Q136 F137 G181 H182 F189 K190Q136-F185 HydrophobicContact CB-CD1 4.11Å; Q136-F185 HydrophobicContact CB-CD2 3.56Å; Q136-F185 HydrophobicContact CB-CE1 4Å; Q136-F185 HydrophobicContact CB-CE2 3.44Å; Q136-F185 VanDerWaalsContact CB-CE2 3.44Å; Q136-F185 HydrophobicContact CB-CG 3.91Å; Q136-F185 HydrophobicContact CB-CZ 3.67Å; Q136-F185 HydrophobicContact CG-CD1 4.18Å; Q136-F185 HydrophobicContact CG-CD2 4.19Å; Q136-F185 HydrophobicContact CG-CE1 4.44Å; Q136-F185 HydrophobicContact CG-CE2 4.45Å; Q136-F185 HydrophobicContact CG-CG 4.06Å; F137-F185 HydrophobicContact CD1-CE2 4.39Å; F137-F185 HydrophobicContact CE1-CE2 4.44Å; G181-F185 WeakPolarHBondContact O-CB 3.27Å; G181-F185 PolarHBondContact O-N 3.07Å; H182-F185 PolarHBondContact O-N 3.1Å; F185-F189 AromaticContact CD2-CD2 3.51Å; F185-F189 HydrophobicContact CD2-CD2 3.51Å; F185-F189 HydrophobicContact CD2-CE2 4.07Å; F185-F189 HydrophobicContact CD2-CG 4.41Å; F185-F189 HydrophobicContact CE1-CB 4.48Å; F185-F189 HydrophobicContact CE2-CB 4.46Å; F185-F189 AromaticContact CE2-CD2 3.74Å; F185-F189 HydrophobicContact CE2-CD2 3.74Å; F185-F189 HydrophobicContact CE2-CE2 4.4Å; F185-F189 HydrophobicContact CE2-CG 4.26Å; F185-F189 HydrophobicContact CG-CD2 4.03Å; F185-F189 HydrophobicContact CZ-CB 4.35Å; F185-F189 HydrophobicContact CZ-CD2 4.44Å; F185-F189 WeakPolarHBondContact O-CB 3.4Å; F185-F189 PolarHBondContact O-N 3.41Å; F185-K190 PolarHBondContact O-N 3.27Å
186F88.9Confident84.8Confident74 Ų7451.8 Ų51.833%0.32528%0.275SS..Iπ-helixtrans-63.9-52.6177.4178.2-99.2000111.6H182 L183 Y184 M188 K190 Y191H182-F186 WeakPolarHBondContact O-CB 3.46Å; H182-F186 PolarHBondContact O-N 3.32Å; L183-F186 PolarHBondContact O-N 2.93Å; Y184-F186 VanDerWaalsContact C-N 3.29Å; Y184-F186 PolarHBondContact O-N 2.78Å; F186-M188 PolarHBondContact O-N 3.11Å; F186-K190 HydrophobicContact CD2-CB 3.98Å; F186-K190 HydrophobicContact CD2-CD 4.08Å; F186-K190 HydrophobicContact CD2-CG 4.22Å; F186-K190 HydrophobicContact CE2-CD 4.42Å; F186-K190 HydrophobicContact CE2-CG 4.44Å; F186-K190 PolarHBondContact O-N 2.99Å; F186-Y191 HydrophobicContact CE1-CD2 4.18Å; F186-Y191 HydrophobicContact CZ-CD2 4.24Å; F186-Y191 VanDerWaalsContact O-CB 3.3Å; F186-Y191 WeakPolarHBondContact O-CB 3.23Å; F186-Y191 PolarHBondContact O-N 3.18Å
187L86.3Confident83.3Confident40 Ų4052.8 Ų52.821%0.20929%0.286CS..Iπ-helixtrans-68.3-36-176.9-71173.8000112.9F105 L183 Y184 L201F105-L187 HydrophobicContact CZ-CD1 3.95Å; L183-L187 HydrophobicContact CD1-CD1 3.7Å; L183-L187 HydrophobicContact CD1-CG 4.09Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 WeakPolarHBondContact O-CB 3.28Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.2Å; Y184-L187 PolarHBondContact O-N 2.76Å; L187-L201 HydrophobicContact CB-CD1 3.51Å; L187-L201 HydrophobicContact CB-CG 4.11Å; L187-L201 HydrophobicContact CD1-CD1 4.2Å
188M83.3Confident81.7Confident22 Ų2263.9 Ų63.911%0.10833%0.328CS..Iπ-helixtrans-83.6-38.4-176.1-170.568.2-178.800112.8Y184 F186 P192 L201Y184-M188 HydrophobicContact CE1-CB 4.36Å; Y184-M188 HydrophobicContact CE1-CG 4.49Å; Y184-M188 HydrophobicContact CE2-CB 4.29Å; Y184-M188 HydrophobicContact CE2-CG 4.39Å; Y184-M188 WeakPolarHBondContact O-CB 3.3Å; Y184-M188 PolarHBondContact O-N 3.32Å; F186-M188 PolarHBondContact O-N 3.11Å; M188-P192 VanDerWaalsContact O-CG 3.28Å; M188-P192 WeakPolarHBondContact O-CG 3.32Å; M188-L201 HydrophobicContact CB-CD1 4.41Å; M188-L201 HydrophobicContact SD-CB 3.72Å
189F81.8Confident80.2Confident9 Ų966.5 Ų66.54%0.03935%0.346CS..Iπ-helixtrans-116.2-52.1-171.1-57-71.5000113.3F137 Y184 F185 P192 M193 F221F137-F189 HydrophobicContact CE1-CE1 4.07Å; F137-F189 HydrophobicContact CE1-CE2 4.2Å; F137-F189 AromaticContact CE1-CZ 3.94Å; F137-F189 HydrophobicContact CE1-CZ 3.94Å; F137-F189 HydrophobicContact CE2-CE2 4.14Å; F137-F189 HydrophobicContact CE2-CZ 4.25Å; F137-F189 HydrophobicContact CZ-CD2 4.28Å; F137-F189 AromaticContact CZ-CE1 3.88Å; F137-F189 HydrophobicContact CZ-CE1 3.88Å; F137-F189 AromaticContact CZ-CE2 3.5Å; F137-F189 HydrophobicContact CZ-CE2 3.5Å; F137-F189 VanDerWaalsContact CZ-CE2 3.5Å; F137-F189 AromaticContact CZ-CZ 3.29Å; F137-F189 HydrophobicContact CZ-CZ 3.29Å; Y184-F189 HydrophobicContact CD1-CE2 4.49Å; Y184-F189 AromaticContact CE1-CE2 3.78Å; Y184-F189 HydrophobicContact CE1-CE2 3.78Å; Y184-F189 HydrophobicContact CE1-CZ 4.43Å; F185-F189 AromaticContact CD2-CD2 3.51Å; F185-F189 HydrophobicContact CD2-CD2 3.51Å; F185-F189 HydrophobicContact CD2-CE2 4.07Å; F185-F189 HydrophobicContact CD2-CG 4.41Å; F185-F189 HydrophobicContact CE1-CB 4.48Å; F185-F189 HydrophobicContact CE2-CB 4.46Å; F185-F189 AromaticContact CE2-CD2 3.74Å; F185-F189 HydrophobicContact CE2-CD2 3.74Å; F185-F189 HydrophobicContact CE2-CE2 4.4Å; F185-F189 HydrophobicContact CE2-CG 4.26Å; F185-F189 HydrophobicContact CG-CD2 4.03Å; F185-F189 HydrophobicContact CZ-CB 4.35Å; F185-F189 HydrophobicContact CZ-CD2 4.44Å; F185-F189 WeakPolarHBondContact O-CB 3.4Å; F185-F189 PolarHBondContact O-N 3.41Å; F189-P192 WeakPolarHBondContact O-CD 3.16Å; F189-P192 WeakPolarHBondContact O-CG 3.16Å; F189-M193 HydrophobicContact CB-CE 3.87Å; F189-M193 WeakPolarHBondContact O-CB 3.45Å; F189-M193 VanDerWaalsContact O-CE 3.3Å; F189-M193 WeakPolarHBondContact O-CE 3.2Å; F189-M193 WeakPolarHBondContact O-CG 3.39Å; F189-M193 PolarHBondContact O-N 3.44Å; F189-F221 HydrophobicContact CE1-CD1 4.4Å; F189-F221 HydrophobicContact CE1-CE1 4.45Å
190K79.2Confident78.9Confident100 Ų10067.7 Ų67.744%0.43535%0.347SS..Iπ-helixtrans-72.9-44.4-170.8-167.7165.5-178.4168.80112.4F185 F186 M193 D194F185-K190 PolarHBondContact O-N 3.27Å; F186-K190 HydrophobicContact CD2-CB 3.98Å; F186-K190 HydrophobicContact CD2-CD 4.08Å; F186-K190 HydrophobicContact CD2-CG 4.22Å; F186-K190 HydrophobicContact CE2-CD 4.42Å; F186-K190 HydrophobicContact CE2-CG 4.44Å; F186-K190 PolarHBondContact O-N 2.99Å; K190-M193 PolarHBondContact O-N 3.14Å; K190-D194 WeakPolarHBondContact CE-OD2 3.42Å; K190-D194 WeakPolarHBondContact CG-OD2 3.35Å; K190-D194 WeakPolarHBondContact O-CB 3.45Å; K190-D194 PolarHBondContact O-N 3.3Å
191Y77.7Confident77.9Confident57 Ų5768.5 Ų68.522%0.22435%0.351CS..Hα-helixtrans-58.2-52.6180-174.1-86.6000113.2F186 M193 L195 F200F186-Y191 HydrophobicContact CE1-CD2 4.18Å; F186-Y191 HydrophobicContact CZ-CD2 4.24Å; F186-Y191 VanDerWaalsContact O-CB 3.3Å; F186-Y191 WeakPolarHBondContact O-CB 3.23Å; F186-Y191 PolarHBondContact O-N 3.18Å; Y191-M193 VanDerWaalsContact C-N 3.32Å; Y191-M193 PolarHBondContact O-N 2.93Å; Y191-L195 HydrophobicContact CD2-CD1 3.37Å; Y191-L195 HydrophobicContact CE2-CB 4.36Å; Y191-L195 HydrophobicContact CE2-CD1 3.33Å; Y191-L195 HydrophobicContact CE2-CG 4.46Å; Y191-L195 HydrophobicContact CG-CD1 4.23Å; Y191-L195 WeakPolarHBondContact O-CB 3.06Å; Y191-L195 PolarHBondContact O-N 3.12Å; Y191-L195 VanDerWaalsContact O-N 3.11Å; Y191-F200 AromaticContact CD1-CD2 3.45Å; Y191-F200 HydrophobicContact CD1-CD2 3.45Å; Y191-F200 VanDerWaalsContact CD1-CD2 3.45Å; Y191-F200 AromaticContact CD1-CE2 3.59Å; Y191-F200 HydrophobicContact CD1-CE2 3.59Å; Y191-F200 HydrophobicContact CD2-CD2 4.48Å; Y191-F200 HydrophobicContact CD2-CE2 4.2Å; Y191-F200 AromaticContact CE1-CD2 3.37Å; Y191-F200 HydrophobicContact CE1-CD2 3.37Å; Y191-F200 AromaticContact CE1-CE2 3.01Å; Y191-F200 HydrophobicContact CE1-CE2 3.01Å; Y191-F200 HydrophobicContact CE1-CG 4.48Å; Y191-F200 AromaticContact CE1-CZ 3.86Å; Y191-F200 HydrophobicContact CE1-CZ 3.86Å; Y191-F200 HydrophobicContact CE2-CD2 4.41Å; Y191-F200 AromaticContact CE2-CE2 3.71Å; Y191-F200 HydrophobicContact CE2-CE2 3.71Å; Y191-F200 HydrophobicContact CG-CD2 4.06Å; Y191-F200 HydrophobicContact CG-CE2 4.16Å; Y191-F200 AromaticContact CZ-CD2 3.91Å; Y191-F200 AromaticContact CZ-CE2 3.1Å; Y191-F200 AromaticContact CZ-CZ 3.83Å; Y191-F200 WeakPolarHBondContact OH-CE2 3.32Å
192P74.8Confident77Confident36 Ų3672.3 Ų72.323%0.23438%0.378CS..Hα-helixtrans-66.5-31.5178.824.2-33000113.2M188 F189M188-P192 VanDerWaalsContact O-CG 3.28Å; M188-P192 WeakPolarHBondContact O-CG 3.32Å; F189-P192 WeakPolarHBondContact O-CD 3.16Å; F189-P192 WeakPolarHBondContact O-CG 3.16Å
193M72.1Confident76.4Confident141 Ų14169 Ų6970%0.69536%0.363SS*.Hα-helixtrans-74-44.2179.5-77-166.5-10100113.4F189 K190 Y191F189-M193 HydrophobicContact CB-CE 3.87Å; F189-M193 WeakPolarHBondContact O-CB 3.45Å; F189-M193 VanDerWaalsContact O-CE 3.3Å; F189-M193 WeakPolarHBondContact O-CE 3.2Å; F189-M193 WeakPolarHBondContact O-CG 3.39Å; F189-M193 PolarHBondContact O-N 3.44Å; K190-M193 PolarHBondContact O-N 3.14Å; Y191-M193 VanDerWaalsContact C-N 3.32Å; Y191-M193 PolarHBondContact O-N 2.93Å
194D71.9Confident76Confident112 Ų11267.5 Ų67.560%0.59936%0.358SS*.Hα-helixtrans-88.9-28.9-171.9-67.8-15.6000113K190K190-D194 WeakPolarHBondContact CE-OD2 3.42Å; K190-D194 WeakPolarHBondContact CG-OD2 3.35Å; K190-D194 WeakPolarHBondContact O-CB 3.45Å; K190-D194 PolarHBondContact O-N 3.3Å
195L66.1Low75.4Confident111 Ų11172.9 Ų72.958%0.58139%0.387SS*.Hα-helixtrans-110.81.9-171.3-67.4158.6000113.7Y191 G197Y191-L195 HydrophobicContact CD2-CD1 3.37Å; Y191-L195 HydrophobicContact CE2-CB 4.36Å; Y191-L195 HydrophobicContact CE2-CD1 3.33Å; Y191-L195 HydrophobicContact CE2-CG 4.46Å; Y191-L195 HydrophobicContact CG-CD1 4.23Å; Y191-L195 WeakPolarHBondContact O-CB 3.06Å; Y191-L195 PolarHBondContact O-N 3.12Å; Y191-L195 VanDerWaalsContact O-N 3.11Å; L195-G197 PolarHBondContact O-N 2.94Å
196G60.9Low75.2Confident73 Ų7376.2 Ų76.275%0.75340%0.402SS*.  trans58.917.9178.800000114.2
197G61Low75Confident27 Ų2773 Ų7328%0.27839%0.388SS..  trans-78.8162.7-175.500000113.1L195L195-G197 PolarHBondContact O-N 2.94Å
198R61.2Low74.9Confident233 Ų23372.9 Ų72.988%0.87939%0.385SS*.  trans-59143.1166.7-67.5-178177.2178.8-0.6109.2F200R198-F200 PolarHBondContact O-N 3Å
199S64.9Low74.9Confident57 Ų5781.9 Ų81.940%0.39942%0.418SS..  trans-59.3107.5174.7-160.60000109.6L201S199-L201 PolarHBondContact O-N 3.14Å; S199-L201 PolarHBondContact OG-O 3.49Å
200F66.8Low75Confident129 Ų12988.8 Ų88.857%0.56645%0.448SS*.SBendtrans-66.5-31.6179.2-79.5-55.5000112.2Y191 R198Y191-F200 AromaticContact CD1-CD2 3.45Å; Y191-F200 HydrophobicContact CD1-CD2 3.45Å; Y191-F200 VanDerWaalsContact CD1-CD2 3.45Å; Y191-F200 AromaticContact CD1-CE2 3.59Å; Y191-F200 HydrophobicContact CD1-CE2 3.59Å; Y191-F200 HydrophobicContact CD2-CD2 4.48Å; Y191-F200 HydrophobicContact CD2-CE2 4.2Å; Y191-F200 AromaticContact CE1-CD2 3.37Å; Y191-F200 HydrophobicContact CE1-CD2 3.37Å; Y191-F200 AromaticContact CE1-CE2 3.01Å; Y191-F200 HydrophobicContact CE1-CE2 3.01Å; Y191-F200 HydrophobicContact CE1-CG 4.48Å; Y191-F200 AromaticContact CE1-CZ 3.86Å; Y191-F200 HydrophobicContact CE1-CZ 3.86Å; Y191-F200 HydrophobicContact CE2-CD2 4.41Å; Y191-F200 AromaticContact CE2-CE2 3.71Å; Y191-F200 HydrophobicContact CE2-CE2 3.71Å; Y191-F200 HydrophobicContact CG-CD2 4.06Å; Y191-F200 HydrophobicContact CG-CE2 4.16Å; Y191-F200 AromaticContact CZ-CD2 3.91Å; Y191-F200 AromaticContact CZ-CE2 3.1Å; Y191-F200 AromaticContact CZ-CZ 3.83Å; Y191-F200 WeakPolarHBondContact OH-CE2 3.32Å; R198-F200 PolarHBondContact O-N 3Å
201L74.8Confident75.3Confident24 Ų2487.1 Ų87.113%0.12644%0.441CS..  trans-108.8125.4175.6-63.2177.3000108.3F101 F105 Y184 L187 M188 S199F101-L201 HydrophobicContact CE1-CB 4.13Å; F101-L201 HydrophobicContact CZ-CB 4.31Å; F101-L201 HydrophobicContact CZ-CD2 4.29Å; F105-L201 HydrophobicContact CD2-CD1 4.16Å; F105-L201 HydrophobicContact CD2-CD2 4Å; F105-L201 HydrophobicContact CE2-CD1 3.81Å; F105-L201 HydrophobicContact CE2-CD2 3.71Å; F105-L201 HydrophobicContact CE2-CG 4.44Å; F105-L201 HydrophobicContact CZ-CD1 4.02Å; Y184-L201 HydrophobicContact CD2-CD1 4.41Å; L187-L201 HydrophobicContact CB-CD1 3.51Å; L187-L201 HydrophobicContact CB-CG 4.11Å; L187-L201 HydrophobicContact CD1-CD1 4.2Å; M188-L201 HydrophobicContact CB-CD1 4.41Å; M188-L201 HydrophobicContact SD-CB 3.72Å; S199-L201 PolarHBondContact O-N 3.14Å; S199-L201 PolarHBondContact OG-O 3.49Å
202S76.2Confident75.4Confident80 Ų8088.6 Ų88.656%0.55946%0.457SS*.  trans-134.3134.7170.9-65.20000107.2P204S202-P204 WeakPolarHBondContact O-CD 3.42Å
203T81.6Confident75.6Confident12 Ų1288.6 Ų88.67%0.07446%0.456CS..  trans-58.4120.7175.4-57.10000108.5A97 D98 F101 L207 Y208A97-T203 HydrophobicContact CB-CG2 4.08Å; D98-T203 WeakPolarHBondContact OD1-CB 3.38Å; D98-T203 PolarHBondContact OD1-OG1 3.32Å; F101-T203 HydrophobicContact CB-CG2 4.02Å; F101-T203 HydrophobicContact CG-CG2 4.44Å; T203-L207 HydrophobicContact CG2-CB 4.05Å; T203-L207 HydrophobicContact CG2-CD1 4.04Å; T203-Y208 VanDerWaalsContact CB-OH 3.32Å; T203-Y208 WeakPolarHBondContact CB-OH 3.44Å; T203-Y208 HydrophobicContact CG2-CD2 4.37Å; T203-Y208 HydrophobicContact CG2-CE1 4.17Å; T203-Y208 HydrophobicContact CG2-CE2 3.76Å
204P83.7Confident75.6Confident42 Ų4287.7 Ų87.727%0.27346%0.458SS..  trans-66.9143.1-176.826.7-36.4000111.5F101 S202 F206 L207F101-P204 VanDerWaalsContact CD2-CD 3.42Å; F101-P204 HydrophobicContact CD2-CG 4.29Å; S202-P204 WeakPolarHBondContact O-CD 3.42Å; P204-F206 HydrophobicContact CB-CD1 3.6Å; P204-F206 HydrophobicContact CB-CE1 3.51Å; P204-F206 HydrophobicContact CG-CD1 3.8Å; P204-F206 HydrophobicContact CG-CE1 3.24Å; P204-F206 HydrophobicContact CG-CZ 3.86Å; P204-F206 PolarHBondContact O-N 3.12Å; P204-L207 HydrophobicContact CG-CD1 3.82Å; P204-L207 HydrophobicContact CG-CG 4.07Å; P204-L207 WeakPolarHBondContact O-CB 3.46Å; P204-L207 PolarHBondContact O-N 3.41Å
205D81.1Confident75.1Confident114 Ų11490 Ų9061%0.6146%0.458SS*.Hα-helixtrans-56.9-28.3-173.3-69.9-34.8000114.4L207 Y208 R209D205-L207 PolarHBondContact O-N 2.92Å; D205-Y208 PolarHBondContact O-N 2.94Å; D205-R209 PolarHBondContact O-N 3.24Å
206F85.8Confident74.2Confident107 Ų10788.3 Ų88.347%0.46947%0.468SS..Hα-helixtrans-62.8-33.4177.479.6-97.3000111.8P204 Y208 R209 F210P204-F206 HydrophobicContact CB-CD1 3.6Å; P204-F206 HydrophobicContact CB-CE1 3.51Å; P204-F206 HydrophobicContact CG-CD1 3.8Å; P204-F206 HydrophobicContact CG-CE1 3.24Å; P204-F206 HydrophobicContact CG-CZ 3.86Å; P204-F206 PolarHBondContact O-N 3.12Å; F206-Y208 VanDerWaalsContact C-N 3.33Å; F206-Y208 PolarHBondContact O-N 3.04Å; F206-R209 WeakPolarHBondContact O-CB 3.07Å; F206-R209 PolarHBondContact O-N 3.47Å; F206-R209 VanDerWaalsContact O-N 3.11Å; F206-F210 AromaticContact CD2-CD2 3.96Å; F206-F210 HydrophobicContact CD2-CD2 3.96Å; F206-F210 AromaticContact CD2-CE2 3.99Å; F206-F210 HydrophobicContact CD2-CE2 3.99Å; F206-F210 WeakPolarHBondContact O-CD2 3.15Å; F206-F210 PolarHBondContact O-N 3.24Å
207L83.6Confident73.6Confident6 Ų686.4 Ų86.43%0.03145%0.448CS..Hα-helixtrans-67.4-36.2178.3-73.5176.5000111.4A97 V100 F101 L104 T203 P204 D205 R209 F210 F211A97-L207 HydrophobicContact CB-CB 4.06Å; V100-L207 HydrophobicContact CG1-CD2 3.89Å; F101-L207 HydrophobicContact CB-CD1 3.71Å; F101-L207 HydrophobicContact CD2-CD1 4.1Å; F101-L207 HydrophobicContact CG-CD1 4.38Å; L104-L207 HydrophobicContact CD1-CD1 4.41Å; L104-L207 HydrophobicContact CD1-CD2 4.23Å; T203-L207 HydrophobicContact CG2-CB 4.05Å; T203-L207 HydrophobicContact CG2-CD1 4.04Å; P204-L207 HydrophobicContact CG-CD1 3.82Å; P204-L207 HydrophobicContact CG-CG 4.07Å; P204-L207 WeakPolarHBondContact O-CB 3.46Å; P204-L207 PolarHBondContact O-N 3.41Å; D205-L207 PolarHBondContact O-N 2.92Å; L207-R209 PolarHBondContact O-N 3.29Å; L207-F210 PolarHBondContact O-N 3.2Å; L207-F211 WeakPolarHBondContact O-CA 3.36Å; L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 2.78Å
208Y84.6Confident73.1Confident39 Ų3990.1 Ų90.115%0.15347%0.465CS..Hα-helixtrans-67.3-24.5173.4-65.6-60.6000112.8A97 D98 T203 D205 F206 F211 P212 S219A97-Y208 HydrophobicContact CB-CD1 3.41Å; A97-Y208 VanDerWaalsContact CB-CD1 3.41Å; A97-Y208 HydrophobicContact CB-CE1 3.56Å; A97-Y208 HydrophobicContact CB-CG 4.19Å; D98-Y208 PolarHBondContact OD1-OH 2.87Å; T203-Y208 VanDerWaalsContact CB-OH 3.32Å; T203-Y208 WeakPolarHBondContact CB-OH 3.44Å; T203-Y208 HydrophobicContact CG2-CD2 4.37Å; T203-Y208 HydrophobicContact CG2-CE1 4.17Å; T203-Y208 HydrophobicContact CG2-CE2 3.76Å; D205-Y208 PolarHBondContact O-N 2.94Å; F206-Y208 VanDerWaalsContact C-N 3.33Å; F206-Y208 PolarHBondContact O-N 3.04Å; Y208-F211 CarbonylContact O-C 3.52Å; Y208-P212 VanDerWaalsContact O-CA 3.31Å; Y208-P212 WeakPolarHBondContact O-CA 3.41Å; Y208-S219 VanDerWaalsContact CZ-CB 3.49Å; Y208-S219 VanDerWaalsContact OH-CB 3.27Å; Y208-S219 WeakPolarHBondContact OH-CB 3.23Å
209R83.8Confident72.8Confident211 Ų21182 Ų8280%0.79644%0.444SS*.Hα-helixtrans-73.2-38.4173.1-62.1177.4-173.6-172.20.7112.1D205 F206 L207D205-R209 PolarHBondContact O-N 3.24Å; F206-R209 WeakPolarHBondContact O-CB 3.07Å; F206-R209 PolarHBondContact O-N 3.47Å; F206-R209 VanDerWaalsContact O-N 3.11Å; L207-R209 PolarHBondContact O-N 3.29Å
210F84.1Confident72.1Confident154 Ų15480.3 Ų80.368%0.67544%0.436SS*.Hα-helixtrans-79.9-36.2177.1-70.8-71.2000112.8F206 L207F206-F210 AromaticContact CD2-CD2 3.96Å; F206-F210 HydrophobicContact CD2-CD2 3.96Å; F206-F210 AromaticContact CD2-CE2 3.99Å; F206-F210 HydrophobicContact CD2-CE2 3.99Å; F206-F210 WeakPolarHBondContact O-CD2 3.15Å; F206-F210 PolarHBondContact O-N 3.24Å; L207-F210 PolarHBondContact O-N 3.2Å
211F84.4Confident71.4Confident64 Ų6480 Ų8028%0.28143%0.434SS..SBendtrans-126.978.8-177.1-61.5-76.7000109.5P96 A97 V100 L207 Y208P96-F211 HydrophobicContact CB-CB 4.14Å; P96-F211 HydrophobicContact CG-CB 4.02Å; A97-F211 HydrophobicContact CB-CB 4.16Å; V100-F211 HydrophobicContact CG1-CE2 4.35Å; V100-F211 HydrophobicContact CG2-CD2 4.06Å; V100-F211 HydrophobicContact CG2-CE2 3.93Å; V100-F211 HydrophobicContact CG2-CG 4.47Å; V100-F211 HydrophobicContact CG2-CZ 4.23Å; L207-F211 WeakPolarHBondContact O-CA 3.36Å; L207-F211 WeakPolarHBondContact O-CB 3.39Å; L207-F211 PolarHBondContact O-N 2.78Å; Y208-F211 CarbonylContact O-C 3.52Å
212P79.1Confident70.2Confident88 Ų8882.6 Ų82.657%0.57147%0.467SS*.  trans-62140.4-17925.6-33.6000110.8Y208 T214Y208-P212 VanDerWaalsContact O-CA 3.31Å; Y208-P212 WeakPolarHBondContact O-CA 3.41Å; P212-T214 PolarHBondContact O-N 2.93Å
213N80.8Confident69.1Low37 Ų3783 Ų8320%0.19847%0.466CS..  trans-66.4120175.2-78.3-6.5000109.8R95 R215R95-N213 WeakPolarHBondContact CA-OD1 3.42Å; N213-R215 PolarHBondContact O-N 3.49Å
214T71.2Confident67.2Low122 Ų12287.4 Ų87.475%0.74850%0.495SS*.SBendtrans-71.1-20.7178.9-40.60000111.8G94 P212G94-T214 PolarHBondContact O-N 3.02Å; P212-T214 PolarHBondContact O-N 2.93Å
215R60.6Low65.5Low160 Ų16091 Ų9160%0.60452%0.518SS*.SBendtrans-110.8117.4170.7-72.6-176.5179146.36.3109.7D93 N213 G217D93-R215 IonicContact OD2-CZ 3.34Å; D93-R215 IonicContact OD2-NH1 2.71Å; D93-R215 PolarHBondContact OD2-NH1 3.39Å; D93-R215 IonicContact OD2-NH2 3.29Å; D93-R215 PolarHBondContact OD2-NH2 3.41Å; N213-R215 PolarHBondContact O-N 3.49Å; R215-G217 VanDerWaalsContact C-N 3.26Å; R215-G217 PolarHBondContact O-N 3.33Å
216G47.5Very low64Low76 Ų7691 Ų9178%0.78452%0.522SS*.  trans-68.670.5-17700000114.3
217G49.8Very low62Low32 Ų3297.3 Ų97.333%0.3354%0.543SS..  trans-115.6125.9166.300000109.1R215 S219R215-G217 VanDerWaalsContact C-N 3.26Å; R215-G217 PolarHBondContact O-N 3.33Å; G217-S219 PolarHBondContact O-N 3.11Å
218V49.9Very low60.3Low105 Ų105107.2 Ų107.264%0.63658%0.58SS**  trans-47.5130.1172.7178.20000109.3G220V218-G220 PolarHBondContact O-N 2.81Å
219S54Low58.5Low63 Ų63110.9 Ų110.944%0.44161%0.608SS.*SBendtrans-64.489.4-178.648.70000111Y208 G217Y208-S219 VanDerWaalsContact CZ-CB 3.49Å; Y208-S219 VanDerWaalsContact OH-CB 3.27Å; Y208-S219 WeakPolarHBondContact OH-CB 3.23Å; G217-S219 PolarHBondContact O-N 3.11Å
220G51.4Low56.9Low22 Ų22106.8 Ų106.823%0.22761%0.607CS.*  trans-164.3101170.100000109.5V218 G222 V223V218-G220 PolarHBondContact O-N 2.81Å; G220-G222 PolarHBondContact O-N 3.5Å; G220-V223 PolarHBondContact O-N 3.37Å
221F51Low55.1Low122 Ų122105.1 Ų105.154%0.53561%0.612SS.*THydrogen-bonded Turntrans-63.7118166.6-121.9-86.9000107.4R95 F189R95-F221 VanDerWaalsContact NH1-CD2 3.27Å; F189-F221 HydrophobicContact CE1-CD1 4.4Å; F189-F221 HydrophobicContact CE1-CE1 4.45Å
222G50.4Low53.5Low79 Ų79110.9 Ų110.981%0.81464%0.639SS**THydrogen-bonded Turntrans97-4-172.400000115.3G220G220-G222 PolarHBondContact O-N 3.5Å
223V53.3Low51.9Low87 Ų87115 Ų11553%0.52765%0.651SS.*SBendtrans-91.7118169.6-174.60000107.9G220G220-V223 PolarHBondContact O-N 3.37Å
224P40.2Very low50.4Low105 Ų105118.8 Ų118.868%0.68268%0.678SS**PPolyproline II helixtrans-57.8138.1176.521.2-29.5000109.1T226P224-T226 PolarHBondContact O-N 2.92Å; P224-T226 VanDerWaalsContact O-N 3.1Å
225P48.6Very low49Very low117 Ų117118.9 Ų118.976%0.7668%0.68SS**PPolyproline II helixtrans-55.7124.6179.522.7-31.9000108.5R227P225-R227 PolarHBondContact O-N 2.87Å
226T50.7Low48.2Very low115 Ų115115.8 Ų115.871%0.70669%0.689SS**  trans-57.8111.5167.7-400000105.7P224 R228P224-T226 PolarHBondContact O-N 2.92Å; P224-T226 VanDerWaalsContact O-N 3.1Å; T226-R228 PolarHBondContact O-N 3.42Å
227R42.8Very low48.1Very low240 Ų240117.7 Ų117.791%0.90670%0.697SS**  trans-49.9110.9174.2-91.2-178.9173.1175-2106.4P225 P229P225-R227 PolarHBondContact O-N 2.87Å; R227-P229 WeakPolarHBondContact O-CD 3.47Å; R227-P229 VanDerWaalsContact O-N 3.17Å
228R48.9Very low47.7Very low213 Ų213119.6 Ų119.680%0.80472%0.717SS**PPolyproline II helixtrans-53.8123.8165.6-115.6175.7175.9170.9-2.3105.3T226 V230T226-R228 PolarHBondContact O-N 3.42Å; R228-V230 PolarHBondContact O-N 3.05Å
229P47Very low47.1Very low116 Ų116118.4 Ų118.475%0.75373%0.726SS**PPolyproline II helixtrans-52.5118.8165.5-2030.7000106R227R227-P229 WeakPolarHBondContact O-CD 3.47Å; R227-P229 VanDerWaalsContact O-N 3.17Å
230V48.8Very low46.5Very low125 Ų125119.5 Ų119.576%0.75875%0.747SS**PPolyproline II helixtrans-51.5128.4171177.10000105.7R228 Q232R228-V230 PolarHBondContact O-N 3.05Å; V230-Q232 PolarHBondContact O-N 2.92Å
231P47.4Very low45.9Very low120 Ų120121.9 Ų121.978%0.77977%0.772SS**  trans-56.6107.1170.8-1930.5000106.6E233P231-E233 PolarHBondContact O-N 3.02Å; P231-E233 VanDerWaalsContact O-N 3.08Å
232Q49.7Very low46Very low185 Ų185120 Ų12086%0.86479%0.787SS**  trans-63.6113.6177-147.9163.310.200105.1V230V230-Q232 PolarHBondContact O-N 2.92Å
233E46.5Very low46Very low174 Ų174127.9 Ų127.981%0.81379%0.792SS**PPolyproline II helixtrans-49.2129.5174-78.5173.713500108P231 P235P231-E233 PolarHBondContact O-N 3.02Å; P231-E233 VanDerWaalsContact O-N 3.08Å; E233-P235 WeakPolarHBondContact O-CD 3.4Å; E233-P235 VanDerWaalsContact O-N 3.16Å
234P49.7Very low46Very low117 Ų117131.6 Ų131.676%0.7680%0.803SS**PPolyproline II helixtrans-59.5124.717619.4-25.3000107.6A236P234-A236 PolarHBondContact O-N 2.81Å
235P41.3Very low46.9Very low124 Ų124134.5 Ų134.581%0.80581%0.813SS**PPolyproline II helixtrans-61.4131-178.423.4-31.1000108.5E233 A237E233-P235 WeakPolarHBondContact O-CD 3.4Å; E233-P235 VanDerWaalsContact O-N 3.16Å; P235-A237 PolarHBondContact O-N 3.46Å
236A43.8Very low47.2Very low95 Ų95139.7 Ų139.779%0.78582%0.818SS**PPolyproline II helixtrans-46.8130.5174.800000109.9P234 G238P234-A236 PolarHBondContact O-N 2.81Å; A236-G238 PolarHBondContact O-N 2.85Å
237A46Very low47.6Very low115 Ų115137.7 Ų137.795%0.9582%0.82SS**  trans-53.8110.9178.300000110.2P235P235-A237 PolarHBondContact O-N 3.46Å
238G40Very low48.6Very low72 Ų72135.6 Ų135.674%0.74282%0.821SS**  trans-16684-179.800000111.3A236A236-G238 PolarHBondContact O-N 2.85Å
239G38.3Very low49.4Very low80 Ų80129.1 Ų129.183%0.82582%0.82SS**  trans53.3106.514900000119.9
240G40.5Very low50.3Low86 Ų86133.5 Ų133.589%0.88783%0.828SS**  trans82.2122.7133.900000118.8
241G39.3Very low50.8Low73 Ų73139.4 Ų139.475%0.75384%0.836SS**  trans106.298.6154.900000114.7R243G241-R243 PolarHBondContact O-N 3.11Å
242G53.3Low51.3Low83 Ų83142.1 Ų142.186%0.85684%0.843SS**  trans-56.2129.2171.800000111.7
243R50.6Low51.6Low243 Ų243137.3 Ų137.392%0.91784%0.843SS**  trans-132.899.2175.9-139.4173.8175.8-175.7-2.4108.9G241 N245G241-R243 PolarHBondContact O-N 3.11Å; R243-N245 PolarHBondContact O-N 3.42Å
244H53.7Low51.7Low165 Ų165132.7 Ų132.776%0.76484%0.842SS**  trans-62.3129.3172.2-65.6101.3000109.6W246H244-W246 PolarHBondContact O-N 3.29Å
245N59Low51.4Low166 Ų166140.3 Ų140.389%0.88887%0.868SS**  trans-84.887.9179.4-161.740.4000109.4R243R243-N245 PolarHBondContact O-N 3.42Å
246W53.3Low51.9Low226 Ų226141.2 Ų141.286%0.85687%0.871SS**  trans-79.9135.2171.7-7188.3000109.7H244H244-W246 PolarHBondContact O-N 3.29Å
247G60.8Low52.3Low73 Ų73143.6 Ų143.675%0.75388%0.876SS**  trans-43.3144-16300000117.7G249G247-G249 PolarHBondContact O-N 2.71Å
248Q63.6Low52.7Low197 Ų197145.2 Ų145.292%0.92187%0.871SS**PPolyproline II helixtrans-71.3118.3166.3-82.1-179.1-18.600109.9
249G64Low53.5Low77 Ų77149.5 Ų149.579%0.79488%0.879SS**PPolyproline II helixtrans-74.8140.7171.200000112.1G247G247-G249 PolarHBondContact O-N 2.71Å
250F65.9Low54.4Low208 Ų208153.8 Ų153.891%0.91288%0.882SS**PPolyproline II helixtrans-77133170.8-91-96.2000110.6
251R61Low55.3Low249 Ų249158.3 Ų158.394%0.9488%0.882SS**PPolyproline II helixtrans-85.2119.5165.6-81.1-176.6166.2178.5-4.5109.2
252L56.6Low56.5Low177 Ų177164.4 Ų164.493%0.92789%0.891SS**PPolyproline II helixtrans-92128.9165.1-77.2160.8000108.4
253G56.7Low56.7Low84 Ų84170.7 Ų170.787%0.86689%0.894SS**  trans114.7119163.100000115
254G48.1Very low57.2Low77 Ų77164.7 Ų164.779%0.79489%0.892SS**  trans-170.2100.4162.300000106.9
255E44Very low57.5Low277 Ų277164.6 Ų164.6100%1.29490%0.904SS**  trans-58.60166-64.1178.9136.800111.2

Retrieved 255 of 255 residues in 96.3 ms (Link to these results)

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