A0A077ZGR5_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZGR5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 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
1M67.2Low78Confident71 Ų7149.4 Ų49.435%0.3525%0.249SC..  0-360-69.6-47.6-55.100113.5D3 L4 Y5 L230 L234M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 2.71Å; M1-L4 HydrophobicContact CE-CB 4.22Å; M1-L4 HydrophobicContact CE-CD2 3.69Å; M1-L4 PolarHBondContact O-N 3.07Å; M1-Y5 HydrophobicContact CB-CD2 4.46Å; M1-Y5 HydrophobicContact CB-CE2 4.32Å; M1-Y5 WeakPolarHBondContact O-CD2 3.36Å; M1-Y5 PolarHBondContact O-N 3.5Å; M1-L230 HydrophobicContact CE-CD2 4.46Å; M1-L234 HydrophobicContact CE-CD1 4.02Å; M1-L234 HydrophobicContact CE-CD2 3.22Å; M1-L234 HydrophobicContact CE-CG 4.02Å; M1-L234 HydrophobicContact CG-CD2 4.29Å; M1-L234 HydrophobicContact SD-CD2 3.89Å
2S76.1Confident77.6Confident60 Ų6045.8 Ų45.842%0.4223%0.231SC..Hα-helixtrans-45.9-46.7177.247.10000113.7L4 Y5 L6 N53S2-L4 VanDerWaalsContact C-N 3.3Å; S2-L4 PolarHBondContact O-N 2.67Å; S2-Y5 WeakPolarHBondContact O-CB 3.18Å; S2-Y5 PolarHBondContact O-N 2.88Å; S2-Y5 VanDerWaalsContact O-N 3.16Å; S2-L6 WeakPolarHBondContact O-CG 3.22Å; S2-L6 PolarHBondContact O-N 2.98Å; S2-N53 PolarHBondContact OG-ND2 2.75Å
3D82.4Confident77.5Confident4 Ų450.8 Ų50.82%0.02126%0.259CS..Hα-helixtrans-60.8-38.5-179.5-63.4-34.1000112.9M1 L6 K7 F51 N53 L54M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 2.71Å; D3-L6 WeakPolarHBondContact O-CB 3.22Å; D3-L6 PolarHBondContact O-N 3.21Å; D3-K7 WeakPolarHBondContact O-CG 3.31Å; D3-K7 PolarHBondContact O-N 3.02Å; D3-F51 HydrophobicContact CB-CB 4.29Å; D3-F51 HydrophobicContact CB-CD1 3.61Å; D3-F51 HydrophobicContact CB-CE1 4.46Å; D3-F51 HydrophobicContact CB-CG 4.45Å; D3-F51 VanDerWaalsContact OD2-C 3.28Å; D3-F51 WeakPolarHBondContact OD2-CA 3.4Å; D3-F51 WeakPolarHBondContact OD2-CB 3.24Å; D3-N53 PolarHBondContact OD1-N 3.12Å; D3-N53 PolarHBondContact OD1-ND2 3.25Å; D3-N53 WeakPolarHBondContact OD2-CB 3.23Å; D3-N53 PolarHBondContact OD2-N 2.94Å; D3-N53 VanDerWaalsContact OD2-N 3.15Å; D3-L54 PolarHBondContact OD2-N 2.88Å
4L78.6Confident77.6Confident3 Ų353.7 Ų53.72%0.01627%0.27CS..Hα-helixtrans-67.6-39.1178.4-17164.1000111.4M1 S2 L6 K7 F8 L36 F71 H74 L75 L78 L230M1-L4 HydrophobicContact CE-CB 4.22Å; M1-L4 HydrophobicContact CE-CD2 3.69Å; M1-L4 PolarHBondContact O-N 3.07Å; S2-L4 VanDerWaalsContact C-N 3.3Å; S2-L4 PolarHBondContact O-N 2.67Å; L4-L6 VanDerWaalsContact C-N 3.31Å; L4-L6 PolarHBondContact O-N 2.74Å; L4-K7 PolarHBondContact O-N 3.3Å; L4-F8 WeakPolarHBondContact O-CB 3.4Å; L4-F8 PolarHBondContact O-N 3.26Å; L4-L36 HydrophobicContact CD1-CD2 4.34Å; L4-F71 HydrophobicContact CB-CZ 4.25Å; L4-H74 HydrophobicContact CD2-CB 4.47Å; L4-L75 HydrophobicContact CD1-CD2 3.58Å; L4-L78 HydrophobicContact CD1-CD2 3.83Å; L4-L78 HydrophobicContact CD2-CD2 4.1Å; L4-L78 HydrophobicContact CG-CD2 4.15Å; L4-L230 HydrophobicContact CD2-CD1 4.18Å; L4-L230 HydrophobicContact CG-CD1 4.06Å
5Y72.5Confident77.1Confident74 Ų7451.8 Ų51.829%0.2926%0.261SS..Hα-helixtrans-58.7-43.7171.8-81.3-82.4000111.3M1 S2 F8 N9 N227 L230 L234M1-Y5 HydrophobicContact CB-CD2 4.46Å; M1-Y5 HydrophobicContact CB-CE2 4.32Å; M1-Y5 WeakPolarHBondContact O-CD2 3.36Å; M1-Y5 PolarHBondContact O-N 3.5Å; S2-Y5 WeakPolarHBondContact O-CB 3.18Å; S2-Y5 PolarHBondContact O-N 2.88Å; S2-Y5 VanDerWaalsContact O-N 3.16Å; Y5-F8 PolarHBondContact O-N 3.03Å; Y5-N9 VanDerWaalsContact O-CB 3.29Å; Y5-N9 WeakPolarHBondContact O-CB 3.47Å; Y5-N9 PolarHBondContact O-N 3.16Å; Y5-N227 WeakPolarHBondContact CE1-OD1 3.42Å; Y5-L230 HydrophobicContact CD1-CB 4.37Å; Y5-L230 HydrophobicContact CD1-CD2 3.38Å; Y5-L230 HydrophobicContact CD1-CG 4.4Å; Y5-L230 HydrophobicContact CD2-CD2 3.5Å; Y5-L230 VanDerWaalsContact CD2-CD2 3.5Å; Y5-L230 HydrophobicContact CE1-CB 3.97Å; Y5-L230 HydrophobicContact CE1-CD2 3.25Å; Y5-L230 HydrophobicContact CE1-CG 4.2Å; Y5-L230 HydrophobicContact CE2-CD2 3.38Å; Y5-L230 HydrophobicContact CG-CD2 3.5Å; Y5-L230 VanDerWaalsContact CG-CD2 3.5Å; Y5-L234 HydrophobicContact CE2-CD1 3.82Å; Y5-L234 WeakPolarHBondContact OH-CD1 3.29Å
6L82.5Confident76.3Confident110 Ų11055.8 Ų55.858%0.57628%0.278SS*.Hα-helixtrans-62-45.9178-68.6173.3000111.6S2 D3 L4 F8 N9 E10S2-L6 WeakPolarHBondContact O-CG 3.22Å; S2-L6 PolarHBondContact O-N 2.98Å; D3-L6 WeakPolarHBondContact O-CB 3.22Å; D3-L6 PolarHBondContact O-N 3.21Å; L4-L6 VanDerWaalsContact C-N 3.31Å; L4-L6 PolarHBondContact O-N 2.74Å; L6-F8 PolarHBondContact O-N 2.81Å; L6-N9 PolarHBondContact O-N 3.07Å; L6-E10 WeakPolarHBondContact O-CB 3.28Å; L6-E10 PolarHBondContact O-N 2.93Å
7K85.1Confident75.5Confident50 Ų5054.8 Ų54.822%0.21729%0.286CS..Hα-helixtrans-60.6-44.2176.4-65.2-55.7-178.4-160.70112.2D3 L4 E10 M11 F32 F39 Q50D3-K7 WeakPolarHBondContact O-CG 3.31Å; D3-K7 PolarHBondContact O-N 3.02Å; L4-K7 PolarHBondContact O-N 3.3Å; K7-E10 PolarHBondContact O-N 3.41Å; K7-M11 PolarHBondContact O-N 2.98Å; K7-F32 HydrophobicContact CB-CE2 4.08Å; K7-F32 VanDerWaalsContact O-CE2 3.29Å; K7-F32 WeakPolarHBondContact O-CE2 3.34Å; K7-F39 HydrophobicContact CB-CE2 4.48Å; K7-F39 HydrophobicContact CD-CE2 4.19Å; K7-F39 HydrophobicContact CD-CZ 4.16Å; K7-F39 HydrophobicContact CG-CE2 4.01Å; K7-F39 HydrophobicContact CG-CZ 4.47Å; K7-Q50 WeakPolarHBondContact CE-O 3.47Å; K7-Q50 PolarHBondContact NZ-O 3.14Å
8F75.6Confident74.5Confident0 Ų060.1 Ų60.10%031%0.314CS..Hα-helixtrans-65.4-41177.7-177.7-113.2000111.6L4 Y5 L6 M11 N12 F32 M82 V224 L229 L230L4-F8 WeakPolarHBondContact O-CB 3.4Å; L4-F8 PolarHBondContact O-N 3.26Å; Y5-F8 PolarHBondContact O-N 3.03Å; L6-F8 PolarHBondContact O-N 2.81Å; F8-M11 HydrophobicContact CD2-CE 3.57Å; F8-M11 HydrophobicContact CE2-CE 3.34Å; F8-M11 HydrophobicContact CZ-CE 4.34Å; F8-M11 PolarHBondContact O-N 3.34Å; F8-N12 VanDerWaalsContact CD1-ND2 3.33Å; F8-N12 WeakPolarHBondContact CD1-ND2 3.49Å; F8-N12 WeakPolarHBondContact CE1-ND2 3.45Å; F8-N12 WeakPolarHBondContact CZ-ND2 3.41Å; F8-N12 WeakPolarHBondContact CZ-OD1 2.88Å; F8-N12 VanDerWaalsContact O-CG 3.26Å; F8-N12 PolarHBondContact O-N 3.32Å; F8-N12 PolarHBondContact O-ND2 3.24Å; F8-F32 HydrophobicContact CB-CZ 4.31Å; F8-F32 HydrophobicContact CD2-CE1 4.17Å; F8-F32 HydrophobicContact CD2-CZ 4.27Å; F8-M82 HydrophobicContact CD2-CE 3.52Å; F8-M82 HydrophobicContact CE2-CE 3.19Å; F8-M82 HydrophobicContact CZ-CE 4.31Å; F8-V224 HydrophobicContact CZ-CG2 4.5Å; F8-L229 HydrophobicContact CE1-CB 4.41Å; F8-L229 HydrophobicContact CE2-CD1 4.25Å; F8-L229 HydrophobicContact CE2-CD2 4.01Å; F8-L229 HydrophobicContact CZ-CB 3.96Å; F8-L229 HydrophobicContact CZ-CD1 3.99Å; F8-L229 HydrophobicContact CZ-CD2 4.06Å; F8-L229 HydrophobicContact CZ-CG 4.25Å; F8-L230 HydrophobicContact CB-CD1 3.96Å; F8-L230 HydrophobicContact CD1-CB 4.49Å; F8-L230 HydrophobicContact CD1-CD1 4.31Å; F8-L230 HydrophobicContact CG-CD1 4.1Å
9N73.3Confident73.9Confident78 Ų7864.7 Ų64.742%0.41733%0.334SS..Hα-helixtrans-65.1-40.2177.4-164.452.4000112.3Y5 L6 M11 N12 L13Y5-N9 VanDerWaalsContact O-CB 3.29Å; Y5-N9 WeakPolarHBondContact O-CB 3.47Å; Y5-N9 PolarHBondContact O-N 3.16Å; L6-N9 PolarHBondContact O-N 3.07Å; N9-M11 VanDerWaalsContact C-N 3.29Å; N9-M11 PolarHBondContact O-N 2.85Å; N9-N12 PolarHBondContact O-N 3.47Å; N9-L13 WeakPolarHBondContact O-CG 3.32Å; N9-L13 PolarHBondContact O-N 3.31Å
10E83.4Confident73.3Confident89 Ų8962.5 Ų62.542%0.41632%0.322SS..Hα-helixtrans-58.3-40.8174.6-173-170.5159.800112.1L6 K7 Q14L6-E10 WeakPolarHBondContact O-CB 3.28Å; L6-E10 PolarHBondContact O-N 2.93Å; K7-E10 PolarHBondContact O-N 3.41Å; E10-Q14 PolarHBondContact O-N 2.99Å; E10-Q14 PolarHBondContact O-NE2 3.08Å
11M81.6Confident73Confident4 Ų460.2 Ų60.22%0.0231%0.311CS..Hα-helixtrans-67.7-44.9173.8-178.8-80.8-6400111.4K7 F8 N9 L13 Q14 L15 V28 F32 M82K7-M11 PolarHBondContact O-N 2.98Å; F8-M11 HydrophobicContact CD2-CE 3.57Å; F8-M11 HydrophobicContact CE2-CE 3.34Å; F8-M11 HydrophobicContact CZ-CE 4.34Å; F8-M11 PolarHBondContact O-N 3.34Å; N9-M11 VanDerWaalsContact C-N 3.29Å; N9-M11 PolarHBondContact O-N 2.85Å; M11-L13 VanDerWaalsContact C-N 3.32Å; M11-L13 PolarHBondContact O-N 3.41Å; M11-Q14 WeakPolarHBondContact O-CB 3.45Å; M11-Q14 PolarHBondContact O-N 2.95Å; M11-Q14 VanDerWaalsContact O-N 3.11Å; M11-L15 HydrophobicContact CE-CD1 4.47Å; M11-L15 PolarHBondContact O-N 3.44Å; M11-L15 VanDerWaalsContact O-N 3.12Å; M11-L15 HydrophobicContact SD-CD1 3.31Å; M11-L15 WeakPolarHBondContact SD-CD1 3.46Å; M11-L15 HydrophobicContact SD-CG 3.76Å; M11-V28 HydrophobicContact CG-CG1 3.91Å; M11-V28 HydrophobicContact SD-CG1 4.39Å; M11-F32 HydrophobicContact CB-CB 4.33Å; M11-F32 HydrophobicContact CB-CD1 4.44Å; M11-F32 HydrophobicContact CB-CD2 3.65Å; M11-F32 HydrophobicContact CB-CE2 4.01Å; M11-F32 HydrophobicContact CB-CG 3.89Å; M11-F32 HydrophobicContact CE-CD1 4.13Å; M11-F32 HydrophobicContact CE-CE1 4.26Å; M11-F32 HydrophobicContact CG-CB 3.67Å; M11-F32 HydrophobicContact CG-CD1 4.08Å; M11-F32 HydrophobicContact CG-CD2 3.93Å; M11-F32 HydrophobicContact CG-CG 3.62Å; M11-M82 HydrophobicContact CE-CE 4.11Å
12N72.5Confident72.9Confident6 Ų657.5 Ų57.53%0.03230%0.298CS..Hα-helixtrans-60.4-41178.1-68.1-20.2000112.2F8 N9 Q14 L15 H16 V224F8-N12 VanDerWaalsContact CD1-ND2 3.33Å; F8-N12 WeakPolarHBondContact CD1-ND2 3.49Å; F8-N12 WeakPolarHBondContact CE1-ND2 3.45Å; F8-N12 WeakPolarHBondContact CZ-ND2 3.41Å; F8-N12 WeakPolarHBondContact CZ-OD1 2.88Å; F8-N12 VanDerWaalsContact O-CG 3.26Å; F8-N12 PolarHBondContact O-N 3.32Å; F8-N12 PolarHBondContact O-ND2 3.24Å; N9-N12 PolarHBondContact O-N 3.47Å; N12-Q14 VanDerWaalsContact C-N 3.25Å; N12-Q14 PolarHBondContact O-N 3Å; N12-L15 CarbonylContact O-C 3.51Å; N12-L15 WeakPolarHBondContact O-CA 3.49Å; N12-L15 WeakPolarHBondContact O-CB 3.29Å; N12-L15 PolarHBondContact O-N 3.05Å; N12-H16 PolarHBondContact O-CD2 2.97Å; N12-H16 PolarHBondContact O-N 2.94Å; N12-H16 VanDerWaalsContact O-N 3.07Å; N12-V224 WeakPolarHBondContact OD1-CG1 3.29Å
13L77.3Confident72.5Confident112 Ų11255.7 Ų55.759%0.58628%0.283SS*.Hα-helixtrans-57.8-39.4175.8-73.9170.9000111.9N9 M11 L15 H16N9-L13 WeakPolarHBondContact O-CG 3.32Å; N9-L13 PolarHBondContact O-N 3.31Å; M11-L13 VanDerWaalsContact C-N 3.32Å; M11-L13 PolarHBondContact O-N 3.41Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.22Å; L13-H16 PolarHBondContact O-N 3.34Å
14Q78.4Confident72.1Confident91 Ų9158.4 Ų58.443%0.42530%0.295SS..Hα-helixtrans-66.6-34.3174.8-69170.263.200112.2E10 M11 N12 H16 V28E10-Q14 PolarHBondContact O-N 2.99Å; E10-Q14 PolarHBondContact O-NE2 3.08Å; M11-Q14 WeakPolarHBondContact O-CB 3.45Å; M11-Q14 PolarHBondContact O-N 2.95Å; M11-Q14 VanDerWaalsContact O-N 3.11Å; N12-Q14 VanDerWaalsContact C-N 3.25Å; N12-Q14 PolarHBondContact O-N 3Å; Q14-H16 PolarHBondContact O-N 3.41Å; Q14-V28 HydrophobicContact CB-CG1 3.76Å; Q14-V28 HydrophobicContact CB-CG2 3.95Å
15L70.8Confident71.8Confident25 Ų2559 Ų5913%0.13130%0.299CS..THydrogen-bonded Turntrans-76.8-3.8174.7-63.8-173.4000114.1M11 N12 L13 L20 T25 V28 V29M11-L15 HydrophobicContact CE-CD1 4.47Å; M11-L15 PolarHBondContact O-N 3.44Å; M11-L15 VanDerWaalsContact O-N 3.12Å; M11-L15 HydrophobicContact SD-CD1 3.31Å; M11-L15 WeakPolarHBondContact SD-CD1 3.46Å; M11-L15 HydrophobicContact SD-CG 3.76Å; N12-L15 CarbonylContact O-C 3.51Å; N12-L15 WeakPolarHBondContact O-CA 3.49Å; N12-L15 WeakPolarHBondContact O-CB 3.29Å; N12-L15 PolarHBondContact O-N 3.05Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 3.22Å; L15-L20 HydrophobicContact CB-CD2 4.39Å; L15-L20 HydrophobicContact CD2-CD1 4.3Å; L15-L20 HydrophobicContact CD2-CD2 4.16Å; L15-L20 VanDerWaalsContact O-CD2 3.32Å; L15-L20 WeakPolarHBondContact O-CD2 3.26Å; L15-T25 HydrophobicContact CD2-CG2 4.05Å; L15-V28 HydrophobicContact CD2-CB 3.94Å; L15-V28 HydrophobicContact CD2-CG1 3.66Å; L15-V28 HydrophobicContact CG-CG1 3.97Å; L15-V29 HydrophobicContact CD1-CG2 4.24Å; L15-V29 HydrophobicContact CD2-CG2 4.3Å
16H63.3Low72.1Confident116 Ų11656.8 Ų56.854%0.53729%0.291SS..THydrogen-bonded Turntrans-103.1-1.5178.5-74.4-149.9000112.8N12 L13 Q14N12-H16 PolarHBondContact O-CD2 2.97Å; N12-H16 PolarHBondContact O-N 2.94Å; N12-H16 VanDerWaalsContact O-N 3.07Å; L13-H16 PolarHBondContact O-N 3.34Å; Q14-H16 PolarHBondContact O-N 3.41Å
17G63Low72.2Confident39 Ų3955.8 Ų55.840%0.40229%0.289SS..  trans-67.8139.7-177.500000113.1Q19 L20G17-Q19 PolarHBondContact O-N 3.3Å; G17-L20 VanDerWaalsContact O-CB 3.3Å; G17-L20 WeakPolarHBondContact O-CB 3.47Å; G17-L20 PolarHBondContact O-N 2.87Å
18D57Low72.2Confident150 Ų15054.3 Ų54.380%0.80228%0.284SS*.THydrogen-bonded Turntrans-59.4-20.6-176.7-58.2-30.2000114.3
19Q63.5Low72.5Confident148 Ų14854.5 Ų54.569%0.69229%0.285SS*.THydrogen-bonded Turntrans-103.719.4179.1-59-170.4-2.500113.6G17 N21 K24G17-Q19 PolarHBondContact O-N 3.3Å; Q19-N21 PolarHBondContact O-N 3.01Å; Q19-K24 VanDerWaalsContact O-CD 3.31Å; Q19-K24 WeakPolarHBondContact O-CD 3.32Å; Q19-K24 PolarHBondContact O-NZ 3.11Å
20L62.6Low73.3Confident19 Ų1955.3 Ų55.310%0.09929%0.285CS..  trans-68.8126.7178.7-16877000110.2L15 G17 K24 T25 A162L15-L20 HydrophobicContact CB-CD2 4.39Å; L15-L20 HydrophobicContact CD2-CD1 4.3Å; L15-L20 HydrophobicContact CD2-CD2 4.16Å; L15-L20 VanDerWaalsContact O-CD2 3.32Å; L15-L20 WeakPolarHBondContact O-CD2 3.26Å; G17-L20 VanDerWaalsContact O-CB 3.3Å; G17-L20 WeakPolarHBondContact O-CB 3.47Å; G17-L20 PolarHBondContact O-N 2.87Å; L20-K24 HydrophobicContact CD1-CB 3.84Å; L20-T25 VanDerWaalsContact CD2-OG1 3.28Å; L20-T25 WeakPolarHBondContact CD2-OG1 3.3Å; L20-T25 VanDerWaalsContact CG-OG1 3.31Å; L20-T25 WeakPolarHBondContact CG-OG1 3.32Å; L20-A162 VanDerWaalsContact O-CB 3.28Å; L20-A162 WeakPolarHBondContact O-CB 3.23Å
21N66.2Low73.8Confident15 Ų1553 Ų538%0.0828%0.282CS..  trans-120175.5168.662.640.7000108.9Q19 I23 K24 T25 T134Q19-N21 PolarHBondContact O-N 3.01Å; N21-I23 VanDerWaalsContact C-N 3.27Å; N21-I23 PolarHBondContact O-N 3.46Å; N21-I23 WeakPolarHBondContact OD1-CB 3.37Å; N21-I23 PolarHBondContact OD1-N 3.3Å; N21-I23 VanDerWaalsContact OD1-N 3.11Å; N21-K24 PolarHBondContact O-N 3.26Å; N21-K24 WeakPolarHBondContact OD1-CG 3.28Å; N21-K24 PolarHBondContact OD1-N 3.12Å; N21-T25 WeakPolarHBondContact O-CB 3.38Å; N21-T25 PolarHBondContact O-N 2.88Å; N21-T25 PolarHBondContact O-OG1 3.07Å; N21-T134 PolarHBondContact ND2-OG1 3.49Å; N21-T134 VanDerWaalsContact ND2-OG1 3.07Å
22L65.2Low74.2Confident14 Ų1453.4 Ų53.47%0.07328%0.283CS..Hα-helixtrans-64.9-32.2-176.3-169.363.1000113.1T25 K26 I89 M92 L158L22-T25 WeakPolarHBondContact O-CB 3.33Å; L22-T25 PolarHBondContact O-N 3.39Å; L22-K26 WeakPolarHBondContact O-CB 3.12Å; L22-K26 PolarHBondContact O-N 3.31Å; L22-I89 HydrophobicContact CD1-CD1 4.09Å; L22-I89 HydrophobicContact CD1-CG1 4.24Å; L22-I89 HydrophobicContact CD1-CG2 4.31Å; L22-M92 HydrophobicContact CD2-CE 3.59Å; L22-M92 HydrophobicContact CD2-SD 3.23Å; L22-M92 WeakPolarHBondContact CD2-SD 3.1Å; L22-M92 HydrophobicContact CG-CE 3.63Å; L22-M92 HydrophobicContact CG-SD 3.99Å; L22-L158 HydrophobicContact CB-CD2 3.62Å; L22-L158 HydrophobicContact CB-CG 4.44Å; L22-L158 HydrophobicContact CD2-CD2 3.13Å; L22-L158 HydrophobicContact CG-CD2 3.97Å
23I68Low75.1Confident22 Ų2253.6 Ų53.611%0.11328%0.284CS..Hα-helixtrans-62.9-51.1175.6-60.4-178.4000109.9N21 T25 K26 T27 I94 V98 L99 Y133N21-I23 VanDerWaalsContact C-N 3.27Å; N21-I23 PolarHBondContact O-N 3.46Å; N21-I23 WeakPolarHBondContact OD1-CB 3.37Å; N21-I23 PolarHBondContact OD1-N 3.3Å; N21-I23 VanDerWaalsContact OD1-N 3.11Å; I23-T25 VanDerWaalsContact C-N 3.32Å; I23-T25 PolarHBondContact O-N 2.96Å; I23-K26 WeakPolarHBondContact O-CB 3.4Å; I23-K26 PolarHBondContact O-N 2.68Å; I23-T27 PolarHBondContact O-N 3.27Å; I23-T27 PolarHBondContact O-OG1 3.41Å; I23-T27 VanDerWaalsContact O-OG1 3.07Å; I23-I94 HydrophobicContact CB-CD1 4.06Å; I23-I94 HydrophobicContact CD1-CD1 4.5Å; I23-I94 HydrophobicContact CD1-CG2 3.9Å; I23-I94 HydrophobicContact CG1-CD1 3.77Å; I23-I94 HydrophobicContact CG1-CG1 4.31Å; I23-I94 HydrophobicContact CG1-CG2 4.27Å; I23-I94 HydrophobicContact CG2-CD1 3.87Å; I23-V98 HydrophobicContact CD1-CG1 3.88Å; I23-L99 HydrophobicContact CD1-CD2 3.81Å; I23-L99 HydrophobicContact CG2-CD2 4.1Å; I23-Y133 HydrophobicContact CB-CE2 4.49Å; I23-Y133 HydrophobicContact CD1-CD2 4.34Å; I23-Y133 HydrophobicContact CD1-CE2 3.91Å
24K74.3Confident76Confident61 Ų6151.5 Ų51.527%0.26527%0.274SS..Hα-helixtrans-60.4-42.5175.5-68.8178.7-176175.40111.4Q19 L20 N21 K26 T27 V28Q19-K24 VanDerWaalsContact O-CD 3.31Å; Q19-K24 WeakPolarHBondContact O-CD 3.32Å; Q19-K24 PolarHBondContact O-NZ 3.11Å; L20-K24 HydrophobicContact CD1-CB 3.84Å; N21-K24 PolarHBondContact O-N 3.26Å; N21-K24 WeakPolarHBondContact OD1-CG 3.28Å; N21-K24 PolarHBondContact OD1-N 3.12Å; K24-K26 PolarHBondContact O-N 3.5Å; K24-T27 PolarHBondContact O-N 3.25Å; K24-V28 WeakPolarHBondContact O-CB 3.33Å; K24-V28 VanDerWaalsContact O-CG2 3.26Å; K24-V28 WeakPolarHBondContact O-CG2 3.17Å; K24-V28 PolarHBondContact O-N 3.31Å
25T71.6Confident76.8Confident16 Ų1651.2 Ų51.210%0.09827%0.271CS..Hα-helixtrans-58.2-49.8176.3-56.80000110.9L15 L20 N21 L22 I23 T27 V28 V29 I89L15-T25 HydrophobicContact CD2-CG2 4.05Å; L20-T25 VanDerWaalsContact CD2-OG1 3.28Å; L20-T25 WeakPolarHBondContact CD2-OG1 3.3Å; L20-T25 VanDerWaalsContact CG-OG1 3.31Å; L20-T25 WeakPolarHBondContact CG-OG1 3.32Å; N21-T25 WeakPolarHBondContact O-CB 3.38Å; N21-T25 PolarHBondContact O-N 2.88Å; N21-T25 PolarHBondContact O-OG1 3.07Å; L22-T25 WeakPolarHBondContact O-CB 3.33Å; L22-T25 PolarHBondContact O-N 3.39Å; I23-T25 VanDerWaalsContact C-N 3.32Å; I23-T25 PolarHBondContact O-N 2.96Å; T25-T27 VanDerWaalsContact C-N 3.33Å; T25-T27 PolarHBondContact O-N 3.05Å; T25-V28 PolarHBondContact O-N 2.92Å; T25-V29 HydrophobicContact CG2-CG2 4.31Å; T25-V29 WeakPolarHBondContact O-CB 3.43Å; T25-V29 VanDerWaalsContact O-CG2 3.28Å; T25-V29 WeakPolarHBondContact O-CG2 3.46Å; T25-V29 PolarHBondContact O-N 2.75Å; T25-I89 HydrophobicContact CG2-CD1 3.9Å
26K78.7Confident77.9Confident28 Ų2850.1 Ų50.112%0.12227%0.265CS..Hα-helixtrans-56.4-48.4176.3-179-170.1179.779.90111L22 I23 K24 K30 I89 S90 M92 I94L22-K26 WeakPolarHBondContact O-CB 3.12Å; L22-K26 PolarHBondContact O-N 3.31Å; I23-K26 WeakPolarHBondContact O-CB 3.4Å; I23-K26 PolarHBondContact O-N 2.68Å; K24-K26 PolarHBondContact O-N 3.5Å; K26-K30 WeakPolarHBondContact O-CB 3.31Å; K26-K30 PolarHBondContact O-N 2.98Å; K26-I89 VanDerWaalsContact CA-CG2 3.48Å; K26-I89 HydrophobicContact CB-CG2 3.62Å; K26-I89 HydrophobicContact CG-CG2 4.09Å; K26-I89 WeakPolarHBondContact CG-O 2.91Å; K26-I89 PolarHBondContact NZ-O 2.73Å; K26-S90 PolarHBondContact NZ-O 3.35Å; K26-M92 HydrophobicContact CB-CE 4.46Å; K26-M92 HydrophobicContact CD-CE 4.12Å; K26-M92 VanDerWaalsContact CE-O 3.31Å; K26-M92 WeakPolarHBondContact CE-O 3.46Å; K26-M92 PolarHBondContact NZ-O 3.03Å; K26-I94 HydrophobicContact CD-CD1 3.54Å; K26-I94 HydrophobicContact CD-CG1 4.2Å
27T85Confident79.4Confident88 Ų8846.6 Ų46.654%0.5425%0.254SS..Hα-helixtrans-61.4-48.1-179.9-60.20000111.9I23 K24 T25 A31I23-T27 PolarHBondContact O-N 3.27Å; I23-T27 PolarHBondContact O-OG1 3.41Å; I23-T27 VanDerWaalsContact O-OG1 3.07Å; K24-T27 PolarHBondContact O-N 3.25Å; T25-T27 VanDerWaalsContact C-N 3.33Å; T25-T27 PolarHBondContact O-N 3.05Å; T27-A31 WeakPolarHBondContact O-CB 3.44Å; T27-A31 PolarHBondContact O-N 3.4Å
28V84.5Confident81Confident20 Ų2048.7 Ų48.712%0.12126%0.255CS..Hα-helixtrans-61.6-49.4179.8169.70000111M11 Q14 L15 K24 T25 F32M11-V28 HydrophobicContact CG-CG1 3.91Å; M11-V28 HydrophobicContact SD-CG1 4.39Å; Q14-V28 HydrophobicContact CB-CG1 3.76Å; Q14-V28 HydrophobicContact CB-CG2 3.95Å; L15-V28 HydrophobicContact CD2-CB 3.94Å; L15-V28 HydrophobicContact CD2-CG1 3.66Å; L15-V28 HydrophobicContact CG-CG1 3.97Å; K24-V28 WeakPolarHBondContact O-CB 3.33Å; K24-V28 VanDerWaalsContact O-CG2 3.26Å; K24-V28 WeakPolarHBondContact O-CG2 3.17Å; K24-V28 PolarHBondContact O-N 3.31Å; T25-V28 PolarHBondContact O-N 2.92Å; V28-F32 WeakPolarHBondContact O-CB 3.4Å; V28-F32 PolarHBondContact O-N 3.45Å
29V82.3Confident82.8Confident3 Ų342.3 Ų42.32%0.01822%0.22CC..Hα-helixtrans-64.3-48.5-179.8168.10000111.1L15 T25 A31 F32 I33 Y86L15-V29 HydrophobicContact CD1-CG2 4.24Å; L15-V29 HydrophobicContact CD2-CG2 4.3Å; T25-V29 HydrophobicContact CG2-CG2 4.31Å; T25-V29 WeakPolarHBondContact O-CB 3.43Å; T25-V29 VanDerWaalsContact O-CG2 3.28Å; T25-V29 WeakPolarHBondContact O-CG2 3.46Å; T25-V29 PolarHBondContact O-N 2.75Å; V29-A31 PolarHBondContact O-N 3.09Å; V29-F32 PolarHBondContact O-N 3.44Å; V29-F32 VanDerWaalsContact O-N 3.16Å; V29-I33 HydrophobicContact CG1-CD1 3.78Å; V29-I33 HydrophobicContact CG1-CG1 4.44Å; V29-I33 WeakPolarHBondContact O-CG1 3.48Å; V29-I33 PolarHBondContact O-N 2.9Å; V29-Y86 HydrophobicContact CB-CG 4.44Å; V29-Y86 VanDerWaalsContact CG1-CB 3.47Å; V29-Y86 HydrophobicContact CG1-CD1 4.01Å; V29-Y86 HydrophobicContact CG1-CD2 3.46Å; V29-Y86 VanDerWaalsContact CG1-CD2 3.46Å; V29-Y86 HydrophobicContact CG1-CE2 4.13Å; V29-Y86 HydrophobicContact CG1-CG 3.39Å; V29-Y86 HydrophobicContact CG2-CD1 4.05Å; V29-Y86 HydrophobicContact CG2-CD2 4.31Å; V29-Y86 HydrophobicContact CG2-CE1 3.96Å; V29-Y86 HydrophobicContact CG2-CE2 4.23Å; V29-Y86 HydrophobicContact CG2-CG 4.22Å
30K90Very high84.2Confident95 Ų9538.5 Ų38.541%0.41320%0.202SC..Hα-helixtrans-60.2-47.6179.2175.3164.1170.743.10111.1K26 F32 I33 D34K26-K30 WeakPolarHBondContact O-CB 3.31Å; K26-K30 PolarHBondContact O-N 2.98Å; K30-F32 PolarHBondContact O-N 3.11Å; K30-I33 PolarHBondContact O-N 2.74Å; K30-D34 WeakPolarHBondContact CG-OD2 3.24Å; K30-D34 IonicContact NZ-OD1 2.65Å; K30-D34 PolarHBondContact NZ-OD1 2.88Å; K30-D34 IonicContact NZ-OD2 3.82Å; K30-D34 PolarHBondContact NZ-OD2 3.25Å; K30-D34 WeakPolarHBondContact O-CB 3.29Å; K30-D34 VanDerWaalsContact O-CG 3.26Å; K30-D34 PolarHBondContact O-N 3.23Å
31A94.3Very high85.7Confident42 Ų4242 Ų4235%0.34722%0.218SC..Hα-helixtrans-59.6-37.8177.100000111.8T27 V29 K35T27-A31 WeakPolarHBondContact O-CB 3.44Å; T27-A31 PolarHBondContact O-N 3.4Å; V29-A31 PolarHBondContact O-N 3.09Å; A31-K35 WeakPolarHBondContact O-CB 3.43Å; A31-K35 WeakPolarHBondContact O-CG 3.35Å; A31-K35 PolarHBondContact O-N 3.38Å
32F90.8Very high87.1Confident11 Ų1142.7 Ų42.75%0.04822%0.221CC..Hα-helixtrans-68.4-45.1176.2-172.1-108.4000112.6K7 F8 M11 V28 V29 K30 D34 K35 L36 M82K7-F32 HydrophobicContact CB-CE2 4.08Å; K7-F32 VanDerWaalsContact O-CE2 3.29Å; K7-F32 WeakPolarHBondContact O-CE2 3.34Å; F8-F32 HydrophobicContact CB-CZ 4.31Å; F8-F32 HydrophobicContact CD2-CE1 4.17Å; F8-F32 HydrophobicContact CD2-CZ 4.27Å; M11-F32 HydrophobicContact CB-CB 4.33Å; M11-F32 HydrophobicContact CB-CD1 4.44Å; M11-F32 HydrophobicContact CB-CD2 3.65Å; M11-F32 HydrophobicContact CB-CE2 4.01Å; M11-F32 HydrophobicContact CB-CG 3.89Å; M11-F32 HydrophobicContact CE-CD1 4.13Å; M11-F32 HydrophobicContact CE-CE1 4.26Å; M11-F32 HydrophobicContact CG-CB 3.67Å; M11-F32 HydrophobicContact CG-CD1 4.08Å; M11-F32 HydrophobicContact CG-CD2 3.93Å; M11-F32 HydrophobicContact CG-CG 3.62Å; V28-F32 WeakPolarHBondContact O-CB 3.4Å; V28-F32 PolarHBondContact O-N 3.45Å; V29-F32 PolarHBondContact O-N 3.44Å; V29-F32 VanDerWaalsContact O-N 3.16Å; K30-F32 PolarHBondContact O-N 3.11Å; F32-D34 PolarHBondContact O-N 3.31Å; F32-K35 WeakPolarHBondContact O-CB 3.41Å; F32-K35 PolarHBondContact O-N 3.45Å; F32-L36 HydrophobicContact CD1-CD1 4.12Å; F32-L36 HydrophobicContact CD1-CG 4.35Å; F32-L36 HydrophobicContact CE1-CD1 3.82Å; F32-L36 HydrophobicContact CE1-CD2 4.14Å; F32-L36 HydrophobicContact CE1-CG 4.07Å; F32-L36 HydrophobicContact CZ-CD2 4Å; F32-L36 HydrophobicContact CZ-CG 4.35Å; F32-L36 WeakPolarHBondContact O-CG 3.45Å; F32-L36 PolarHBondContact O-N 3.29Å; F32-M82 HydrophobicContact CD1-CE 4.31Å; F32-M82 HydrophobicContact CE1-CE 3.84Å
33I90.8Very high88.4Confident10 Ų1042.1 Ų42.15%0.05122%0.219CC..Hα-helixtrans-57.1-49.6174.4-71.4170000110.4V29 K30 K35 L36 S37 H79 M82 C83V29-I33 HydrophobicContact CG1-CD1 3.78Å; V29-I33 HydrophobicContact CG1-CG1 4.44Å; V29-I33 WeakPolarHBondContact O-CG1 3.48Å; V29-I33 PolarHBondContact O-N 2.9Å; K30-I33 PolarHBondContact O-N 2.74Å; I33-K35 VanDerWaalsContact C-N 3.3Å; I33-K35 PolarHBondContact O-N 2.81Å; I33-L36 WeakPolarHBondContact O-CB 3.28Å; I33-L36 PolarHBondContact O-N 3.43Å; I33-L36 VanDerWaalsContact O-N 3.08Å; I33-S37 PolarHBondContact O-N 3.33Å; I33-H79 PolarHBondContact O-CD2 3.21Å; I33-M82 HydrophobicContact CD1-CB 4.17Å; I33-M82 HydrophobicContact CG1-CB 3.77Å; I33-C83 WeakPolarHBondContact CG2-SG 3.48Å
34D95.8Very high89.3Confident69 Ų6944.1 Ų44.137%0.36924%0.244SC..Hα-helixtrans-61.5-39.4179-66.4-21.7000110.9K30 F32 L36 S37 I38K30-D34 WeakPolarHBondContact CG-OD2 3.24Å; K30-D34 IonicContact NZ-OD1 2.65Å; K30-D34 PolarHBondContact NZ-OD1 2.88Å; K30-D34 IonicContact NZ-OD2 3.82Å; K30-D34 PolarHBondContact NZ-OD2 3.25Å; K30-D34 WeakPolarHBondContact O-CB 3.29Å; K30-D34 VanDerWaalsContact O-CG 3.26Å; K30-D34 PolarHBondContact O-N 3.23Å; F32-D34 PolarHBondContact O-N 3.31Å; D34-L36 PolarHBondContact O-N 3.5Å; D34-S37 PolarHBondContact O-N 2.86Å; D34-I38 WeakPolarHBondContact O-CG1 3.43Å; D34-I38 PolarHBondContact O-N 2.93Å; D34-I38 VanDerWaalsContact O-N 3.13Å
35K95.8Very high90.1Very high85 Ų8550.1 Ų50.137%0.3727%0.265SS..Hα-helixtrans-60.8-41.6172.8-80171.6-179179.80112.4A31 F32 I33 S37 I38 F39A31-K35 WeakPolarHBondContact O-CB 3.43Å; A31-K35 WeakPolarHBondContact O-CG 3.35Å; A31-K35 PolarHBondContact O-N 3.38Å; F32-K35 WeakPolarHBondContact O-CB 3.41Å; F32-K35 PolarHBondContact O-N 3.45Å; I33-K35 VanDerWaalsContact C-N 3.3Å; I33-K35 PolarHBondContact O-N 2.81Å; K35-S37 VanDerWaalsContact C-N 3.3Å; K35-S37 PolarHBondContact O-N 3.48Å; K35-I38 PolarHBondContact O-N 3.24Å; K35-F39 HydrophobicContact CB-CE1 4.28Å; K35-F39 HydrophobicContact CB-CE2 4Å; K35-F39 HydrophobicContact CB-CZ 3.83Å; K35-F39 HydrophobicContact CD-CZ 4.4Å; K35-F39 HydrophobicContact CG-CZ 4.29Å; K35-F39 WeakPolarHBondContact O-CB 3.18Å; K35-F39 WeakPolarHBondContact O-CD1 3.24Å; K35-F39 WeakPolarHBondContact O-CD2 3.38Å; K35-F39 WeakPolarHBondContact O-CG 3.42Å; K35-F39 PolarHBondContact O-N 3.14Å
36L93.6Very high91.1Very high1 Ų151 Ų511%0.00528%0.277CS..Hα-helixtrans-59.8-41.1178-67.8174.4000111.7L4 F32 I33 D34 F39 H40 L75 L78 H79 M82L4-L36 HydrophobicContact CD1-CD2 4.34Å; F32-L36 HydrophobicContact CD1-CD1 4.12Å; F32-L36 HydrophobicContact CD1-CG 4.35Å; F32-L36 HydrophobicContact CE1-CD1 3.82Å; F32-L36 HydrophobicContact CE1-CD2 4.14Å; F32-L36 HydrophobicContact CE1-CG 4.07Å; F32-L36 HydrophobicContact CZ-CD2 4Å; F32-L36 HydrophobicContact CZ-CG 4.35Å; F32-L36 WeakPolarHBondContact O-CG 3.45Å; F32-L36 PolarHBondContact O-N 3.29Å; I33-L36 WeakPolarHBondContact O-CB 3.28Å; I33-L36 PolarHBondContact O-N 3.43Å; I33-L36 VanDerWaalsContact O-N 3.08Å; D34-L36 PolarHBondContact O-N 3.5Å; L36-F39 HydrophobicContact CD2-CD2 4.36Å; L36-F39 PolarHBondContact O-N 3.48Å; L36-H40 PolarHBondContact O-N 2.84Å; L36-L75 HydrophobicContact CD2-CD2 3.81Å; L36-L78 HydrophobicContact CD1-CB 4.42Å; L36-L78 HydrophobicContact CD1-CD2 4.07Å; L36-L78 HydrophobicContact CD1-CG 3.85Å; L36-L78 HydrophobicContact CD2-CD2 3.77Å; L36-L78 HydrophobicContact CD2-CG 4.41Å; L36-H79 HydrophobicContact CB-CB 4.1Å; L36-H79 HydrophobicContact CD1-CB 4.28Å; L36-M82 HydrophobicContact CD1-CG 4.12Å
37S94.6Very high91.7Very high43 Ų4353.9 Ų53.930%0.30129%0.291SS..Hα-helixtrans-62.3-46.2175-177.30000111.7I33 D34 K35 F39 H40 Q41I33-S37 PolarHBondContact O-N 3.33Å; D34-S37 PolarHBondContact O-N 2.86Å; K35-S37 VanDerWaalsContact C-N 3.3Å; K35-S37 PolarHBondContact O-N 3.48Å; S37-F39 PolarHBondContact O-N 3.15Å; S37-H40 PolarHBondContact O-N 2.86Å; S37-Q41 WeakPolarHBondContact O-CG 3.28Å; S37-Q41 PolarHBondContact O-N 3.29Å; S37-Q41 VanDerWaalsContact O-N 3.08Å; S37-Q41 PolarHBondContact OG-NE2 2.96Å
38I95.6Very high92Very high83 Ų8350.3 Ų50.343%0.42627%0.268SS..Hα-helixtrans-62-43.3176.4-67.9168.8000111.3D34 K35 H40 Q41 N42D34-I38 WeakPolarHBondContact O-CG1 3.43Å; D34-I38 PolarHBondContact O-N 2.93Å; D34-I38 VanDerWaalsContact O-N 3.13Å; K35-I38 PolarHBondContact O-N 3.24Å; I38-H40 PolarHBondContact O-N 3Å; I38-Q41 PolarHBondContact O-N 3.22Å; I38-N42 VanDerWaalsContact CG2-ND2 3.29Å; I38-N42 WeakPolarHBondContact CG2-ND2 2.72Å; I38-N42 WeakPolarHBondContact O-CB 3.19Å; I38-N42 VanDerWaalsContact O-CG 3.23Å; I38-N42 PolarHBondContact O-N 3.27Å; I38-N42 PolarHBondContact O-ND2 3.38Å
39F94.9Very high92.4Very high15 Ų1558.8 Ų58.87%0.06630%0.298CS..Hα-helixtrans-60.1-45.4178.2-67.3-15.1000111.9K7 K35 L36 S37 N42 L43 Q50 F51 L75K7-F39 HydrophobicContact CB-CE2 4.48Å; K7-F39 HydrophobicContact CD-CE2 4.19Å; K7-F39 HydrophobicContact CD-CZ 4.16Å; K7-F39 HydrophobicContact CG-CE2 4.01Å; K7-F39 HydrophobicContact CG-CZ 4.47Å; K35-F39 HydrophobicContact CB-CE1 4.28Å; K35-F39 HydrophobicContact CB-CE2 4Å; K35-F39 HydrophobicContact CB-CZ 3.83Å; K35-F39 HydrophobicContact CD-CZ 4.4Å; K35-F39 HydrophobicContact CG-CZ 4.29Å; K35-F39 WeakPolarHBondContact O-CB 3.18Å; K35-F39 WeakPolarHBondContact O-CD1 3.24Å; K35-F39 WeakPolarHBondContact O-CD2 3.38Å; K35-F39 WeakPolarHBondContact O-CG 3.42Å; K35-F39 PolarHBondContact O-N 3.14Å; L36-F39 HydrophobicContact CD2-CD2 4.36Å; L36-F39 PolarHBondContact O-N 3.48Å; S37-F39 PolarHBondContact O-N 3.15Å; F39-N42 PolarHBondContact O-N 3.17Å; F39-L43 WeakPolarHBondContact O-CD1 3.45Å; F39-L43 PolarHBondContact O-N 2.96Å; F39-Q50 HydrophobicContact CD1-CB 4.09Å; F39-Q50 HydrophobicContact CD1-CG 4.01Å; F39-Q50 HydrophobicContact CE1-CB 4Å; F39-Q50 HydrophobicContact CE1-CG 3.9Å; F39-F51 HydrophobicContact CB-CE2 3.85Å; F39-F51 HydrophobicContact CB-CZ 3.64Å; F39-F51 HydrophobicContact CD1-CZ 4.42Å; F39-F51 HydrophobicContact CD2-CE1 4.48Å; F39-F51 AromaticContact CD2-CZ 3.85Å; F39-F51 HydrophobicContact CD2-CZ 3.85Å; F39-F51 HydrophobicContact CG-CE2 4.12Å; F39-F51 AromaticContact CG-CZ 3.71Å; F39-F51 HydrophobicContact CG-CZ 3.71Å; F39-L75 HydrophobicContact CB-CD1 3.98Å; F39-L75 HydrophobicContact CB-CD2 4.26Å; F39-L75 HydrophobicContact CD2-CD2 4.47Å
40H94Very high92.8Very high68 Ų6861 Ų6132%0.31531%0.308SS..Hα-helixtrans-59-47.5176.1175.1-85.2000111.4L36 S37 I38 N42 L43 G44 C72 L75 S76L36-H40 PolarHBondContact O-N 2.84Å; S37-H40 PolarHBondContact O-N 2.86Å; I38-H40 PolarHBondContact O-N 3Å; H40-N42 PolarHBondContact O-N 2.8Å; H40-L43 PolarHBondContact O-N 3.38Å; H40-G44 PolarHBondContact O-N 3.36Å; H40-G44 VanDerWaalsContact O-N 3.12Å; H40-C72 PolarHBondContact CD2-O 3.19Å; H40-L75 HydrophobicContact CB-CB 4.24Å; H40-L75 HydrophobicContact CB-CD1 4.38Å; H40-S76 PolarHBondContact CD2-OG 2.85Å; H40-S76 PolarHBondContact NE2-OG 2.67Å
41Q94.7Very high92.9Very high92 Ų9256.5 Ų56.543%0.4329%0.289SS..Hα-helixtrans-62-42.4179-68.5172.921.800112.6S37 I38 G44 R45S37-Q41 WeakPolarHBondContact O-CG 3.28Å; S37-Q41 PolarHBondContact O-N 3.29Å; S37-Q41 VanDerWaalsContact O-N 3.08Å; S37-Q41 PolarHBondContact OG-NE2 2.96Å; I38-Q41 PolarHBondContact O-N 3.22Å; Q41-G44 PolarHBondContact O-N 3.4Å; Q41-R45 WeakPolarHBondContact O-CG 3.43Å; Q41-R45 PolarHBondContact O-N 2.99Å
42N94.4Very high92.7Very high30 Ų3057.9 Ų57.916%0.1629%0.294CS..Hα-helixtrans-68.6-40.7-178.6-71.1-20.6000112I38 F39 H40 G44 R45 G46 E47 Q50I38-N42 VanDerWaalsContact CG2-ND2 3.29Å; I38-N42 WeakPolarHBondContact CG2-ND2 2.72Å; I38-N42 WeakPolarHBondContact O-CB 3.19Å; I38-N42 VanDerWaalsContact O-CG 3.23Å; I38-N42 PolarHBondContact O-N 3.27Å; I38-N42 PolarHBondContact O-ND2 3.38Å; F39-N42 PolarHBondContact O-N 3.17Å; H40-N42 PolarHBondContact O-N 2.8Å; N42-G44 VanDerWaalsContact C-N 3.31Å; N42-G44 PolarHBondContact O-N 2.86Å; N42-R45 CarbonylContact O-C 3.54Å; N42-R45 WeakPolarHBondContact O-CA 3.41Å; N42-R45 PolarHBondContact O-N 3.22Å; N42-G46 PolarHBondContact O-N 3.04Å; N42-G46 VanDerWaalsContact O-N 3.17Å; N42-E47 CarbonylContact C-O 3.38Å; N42-E47 HydrophobicContact CB-CB 4.05Å; N42-E47 PolarHBondContact O-N 3.35Å; N42-Q50 PolarHBondContact ND2-NE2 3.47Å
43L91.8Very high92.5Very high3 Ų360.8 Ų60.82%0.01631%0.31CS..Hα-helixtrans-59.6-42.4172.6-80.8158000112.2F39 H40 R45 G46 Y48 F51 L54 F71 L75F39-L43 WeakPolarHBondContact O-CD1 3.45Å; F39-L43 PolarHBondContact O-N 2.96Å; H40-L43 PolarHBondContact O-N 3.38Å; L43-R45 PolarHBondContact O-N 2.89Å; L43-G46 PolarHBondContact O-N 3.49Å; L43-Y48 HydrophobicContact CD2-CD1 3.63Å; L43-Y48 HydrophobicContact CD2-CE1 3.75Å; L43-F51 HydrophobicContact CD1-CD2 4.08Å; L43-F51 HydrophobicContact CD1-CE2 3.5Å; L43-F51 HydrophobicContact CD1-CZ 4.11Å; L43-F51 HydrophobicContact CD2-CD2 4.15Å; L43-F51 HydrophobicContact CD2-CE2 4.39Å; L43-F51 HydrophobicContact CG-CD2 4.1Å; L43-F51 HydrophobicContact CG-CE2 3.88Å; L43-L54 HydrophobicContact CD2-CD1 3.77Å; L43-F71 HydrophobicContact CD1-CD1 3.39Å; L43-F71 HydrophobicContact CD1-CE1 3.79Å; L43-F71 HydrophobicContact CD1-CG 4.45Å; L43-F71 HydrophobicContact CD2-CD1 4.44Å; L43-L75 HydrophobicContact CD1-CD1 3.17Å
44G88.6Confident92.4Very high63 Ų6360.9 Ų60.965%0.64931%0.31SS*.Hα-helixtrans-62.2-24.3174.800000114H40 Q41 N42H40-G44 PolarHBondContact O-N 3.36Å; H40-G44 VanDerWaalsContact O-N 3.12Å; Q41-G44 PolarHBondContact O-N 3.4Å; N42-G44 VanDerWaalsContact C-N 3.31Å; N42-G44 PolarHBondContact O-N 2.86Å
45R91.2Very high92.2Very high188 Ų18859.1 Ų59.171%0.70930%0.301SS*.THydrogen-bonded Turntrans-90.4-2.1174.7-66.8174.8-177.9-174.11.6113.5Q41 N42 L43Q41-R45 WeakPolarHBondContact O-CG 3.43Å; Q41-R45 PolarHBondContact O-N 2.99Å; N42-R45 CarbonylContact O-C 3.54Å; N42-R45 WeakPolarHBondContact O-CA 3.41Å; N42-R45 PolarHBondContact O-N 3.22Å; L43-R45 PolarHBondContact O-N 2.89Å
46G90.9Very high91.9Very high34 Ų3458.8 Ų58.835%0.35130%0.303SS..THydrogen-bonded Turntrans76.922.6-175.600000114.4N42 L43 Y48N42-G46 PolarHBondContact O-N 3.04Å; N42-G46 VanDerWaalsContact O-N 3.17Å; L43-G46 PolarHBondContact O-N 3.49Å; G46-Y48 VanDerWaalsContact C-CE2 3.42Å; G46-Y48 WeakPolarHBondContact O-CD2 3.31Å; G46-Y48 WeakPolarHBondContact O-CE2 3.4Å
47E93Very high91.6Very high88 Ų8863.4 Ų63.441%0.41133%0.327SS..  trans-98112.3175.8-69.1-68.5168.100110.3N42 R49N42-E47 CarbonylContact C-O 3.38Å; N42-E47 HydrophobicContact CB-CB 4.05Å; N42-E47 PolarHBondContact O-N 3.35Å; E47-R49 IonicContact OE2-NE 2.65Å
48Y91.3Very high91.3Very high13 Ų1365.8 Ų65.85%0.05133%0.332CS..  trans-1101-171.3-53.1-79000114.3L43 G46 Q50 F51 L54 K58 L63 I68L43-Y48 HydrophobicContact CD2-CD1 3.63Å; L43-Y48 HydrophobicContact CD2-CE1 3.75Å; G46-Y48 VanDerWaalsContact C-CE2 3.42Å; G46-Y48 WeakPolarHBondContact O-CD2 3.31Å; G46-Y48 WeakPolarHBondContact O-CE2 3.4Å; Y48-Q50 PolarHBondContact O-N 3.2Å; Y48-F51 CarbonylContact O-C 3.42Å; Y48-F51 WeakPolarHBondContact O-CA 3.2Å; Y48-F51 PolarHBondContact O-N 2.93Å; Y48-L54 HydrophobicContact CD1-CB 4.25Å; Y48-K58 HydrophobicContact CD2-CB 4.08Å; Y48-K58 HydrophobicContact CD2-CG 3.87Å; Y48-K58 HydrophobicContact CE2-CB 4.27Å; Y48-K58 HydrophobicContact CE2-CD 3.91Å; Y48-K58 HydrophobicContact CE2-CG 3.73Å; Y48-L63 HydrophobicContact CD1-CD1 3.73Å; Y48-L63 HydrophobicContact CD2-CD1 4.47Å; Y48-L63 HydrophobicContact CE1-CD1 3.41Å; Y48-L63 VanDerWaalsContact CE1-CD1 3.41Å; Y48-L63 HydrophobicContact CE2-CD1 4.22Å; Y48-L63 HydrophobicContact CG-CD1 4.26Å; Y48-I68 HydrophobicContact CE1-CG1 4.47Å; Y48-I68 VanDerWaalsContact OH-CD1 3.28Å; Y48-I68 WeakPolarHBondContact OH-CD1 3.09Å
49R91.2Very high91Very high199 Ų19968.4 Ų68.475%0.75134%0.341SS*.THydrogen-bonded Turntrans-55.5-27.4-171.9-59.6-176.2-168.6-165.9-0.3114.4E47 F51E47-R49 IonicContact OE2-NE 2.65Å; R49-F51 PolarHBondContact O-N 3.18Å
50Q91.3Very high90.6Very high50 Ų5074.3 Ų74.323%0.23437%0.373CS..THydrogen-bonded Turntrans-76-13.9178.1-58.388.4-15.600113.6K7 F39 N42 Y48K7-Q50 WeakPolarHBondContact CE-O 3.47Å; K7-Q50 PolarHBondContact NZ-O 3.14Å; F39-Q50 HydrophobicContact CD1-CB 4.09Å; F39-Q50 HydrophobicContact CD1-CG 4.01Å; F39-Q50 HydrophobicContact CE1-CB 4Å; F39-Q50 HydrophobicContact CE1-CG 3.9Å; N42-Q50 PolarHBondContact ND2-NE2 3.47Å; Y48-Q50 PolarHBondContact O-N 3.2Å
51F91.6Very high89.8Confident0 Ų074.5 Ų74.50%039%0.393CS..  trans-125.580.2-173.1-62.4-69.3000109.5D3 F39 L43 Y48 R49 N53 L54 D55 F71 L75D3-F51 HydrophobicContact CB-CB 4.29Å; D3-F51 HydrophobicContact CB-CD1 3.61Å; D3-F51 HydrophobicContact CB-CE1 4.46Å; D3-F51 HydrophobicContact CB-CG 4.45Å; D3-F51 VanDerWaalsContact OD2-C 3.28Å; D3-F51 WeakPolarHBondContact OD2-CA 3.4Å; D3-F51 WeakPolarHBondContact OD2-CB 3.24Å; F39-F51 HydrophobicContact CB-CE2 3.85Å; F39-F51 HydrophobicContact CB-CZ 3.64Å; F39-F51 HydrophobicContact CD1-CZ 4.42Å; F39-F51 HydrophobicContact CD2-CE1 4.48Å; F39-F51 AromaticContact CD2-CZ 3.85Å; F39-F51 HydrophobicContact CD2-CZ 3.85Å; F39-F51 HydrophobicContact CG-CE2 4.12Å; F39-F51 AromaticContact CG-CZ 3.71Å; F39-F51 HydrophobicContact CG-CZ 3.71Å; L43-F51 HydrophobicContact CD1-CD2 4.08Å; L43-F51 HydrophobicContact CD1-CE2 3.5Å; L43-F51 HydrophobicContact CD1-CZ 4.11Å; L43-F51 HydrophobicContact CD2-CD2 4.15Å; L43-F51 HydrophobicContact CD2-CE2 4.39Å; L43-F51 HydrophobicContact CG-CD2 4.1Å; L43-F51 HydrophobicContact CG-CE2 3.88Å; Y48-F51 CarbonylContact O-C 3.42Å; Y48-F51 WeakPolarHBondContact O-CA 3.2Å; Y48-F51 PolarHBondContact O-N 2.93Å; R49-F51 PolarHBondContact O-N 3.18Å; F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 PolarHBondContact O-N 3.44Å; F51-L54 HydrophobicContact CB-CB 3.8Å; F51-L54 HydrophobicContact CB-CD1 3.81Å; F51-L54 HydrophobicContact CB-CG 3.95Å; F51-L54 HydrophobicContact CD2-CD1 4.33Å; F51-L54 HydrophobicContact CG-CD1 4Å; F51-L54 WeakPolarHBondContact O-CA 3.15Å; F51-L54 PolarHBondContact O-N 3.3Å; F51-D55 PolarHBondContact O-N 2.71Å; F51-F71 AromaticContact CD1-CE1 3.85Å; F51-F71 HydrophobicContact CD1-CE1 3.85Å; F51-F71 AromaticContact CD1-CZ 3.69Å; F51-F71 HydrophobicContact CD1-CZ 3.69Å; F51-F71 HydrophobicContact CD2-CE1 4.43Å; F51-F71 AromaticContact CE1-CE1 3.51Å; F51-F71 HydrophobicContact CE1-CE1 3.51Å; F51-F71 AromaticContact CE1-CZ 3.66Å; F51-F71 HydrophobicContact CE1-CZ 3.66Å; F51-F71 HydrophobicContact CE2-CE1 4.11Å; F51-F71 HydrophobicContact CG-CE1 4.31Å; F51-F71 HydrophobicContact CG-CZ 4.34Å; F51-F71 AromaticContact CZ-CE1 3.63Å; F51-F71 HydrophobicContact CZ-CE1 3.63Å; F51-F71 HydrophobicContact CZ-CZ 4.26Å; F51-L75 HydrophobicContact CZ-CD1 4.13Å; F51-L75 HydrophobicContact CZ-CD2 4.4Å
52P90.8Very high89.2Confident71 Ų7171.8 Ų71.846%0.46139%0.39SS..Hα-helixtrans-53.4-40.9-172.9-28.135.6000113.7L54 D55 D56P52-L54 PolarHBondContact O-N 3.27Å; P52-D55 PolarHBondContact O-N 3.12Å; P52-D56 WeakPolarHBondContact O-CB 3.36Å; P52-D56 VanDerWaalsContact O-CG 3.23Å; P52-D56 PolarHBondContact O-N 3.2Å
53N87.3Confident88.7Confident71 Ų7171 Ų7138%0.3839%0.386SS..Hα-helixtrans-67.5-37.2178.4-64.9-60.5000111.9S2 D3 F51 L57S2-N53 PolarHBondContact OG-ND2 2.75Å; D3-N53 PolarHBondContact OD1-N 3.12Å; D3-N53 PolarHBondContact OD1-ND2 3.25Å; D3-N53 WeakPolarHBondContact OD2-CB 3.23Å; D3-N53 PolarHBondContact OD2-N 2.94Å; D3-N53 VanDerWaalsContact OD2-N 3.15Å; F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 PolarHBondContact O-N 3.44Å; N53-L57 WeakPolarHBondContact O-CB 3.42Å; N53-L57 VanDerWaalsContact O-CG 3.23Å; N53-L57 WeakPolarHBondContact O-CG 3.41Å; N53-L57 PolarHBondContact O-N 3.48Å; N53-L57 VanDerWaalsContact O-N 3.1Å
54L88.2Confident88.4Confident12 Ų1274.3 Ų74.36%0.06341%0.407CS..Hα-helixtrans-69.2-40.7173.6-66.4-176.8000112.1D3 L43 Y48 F51 P52 D56 L57 K58 L63 F71D3-L54 PolarHBondContact OD2-N 2.88Å; L43-L54 HydrophobicContact CD2-CD1 3.77Å; Y48-L54 HydrophobicContact CD1-CB 4.25Å; F51-L54 HydrophobicContact CB-CB 3.8Å; F51-L54 HydrophobicContact CB-CD1 3.81Å; F51-L54 HydrophobicContact CB-CG 3.95Å; F51-L54 HydrophobicContact CD2-CD1 4.33Å; F51-L54 HydrophobicContact CG-CD1 4Å; F51-L54 WeakPolarHBondContact O-CA 3.15Å; F51-L54 PolarHBondContact O-N 3.3Å; P52-L54 PolarHBondContact O-N 3.27Å; L54-D56 VanDerWaalsContact C-N 3.33Å; L54-D56 PolarHBondContact O-N 3.05Å; L54-L57 HydrophobicContact CD2-CD1 4.5Å; L54-L57 PolarHBondContact O-N 2.95Å; L54-K58 WeakPolarHBondContact O-CB 3.47Å; L54-K58 PolarHBondContact O-N 3.18Å; L54-L63 HydrophobicContact CB-CD1 4.41Å; L54-L63 HydrophobicContact CD2-CD2 4.33Å; L54-L63 WeakPolarHBondContact O-CD1 3.22Å; L54-F71 HydrophobicContact CD1-CD1 3.98Å; L54-F71 HydrophobicContact CD1-CD2 3.78Å; L54-F71 HydrophobicContact CD1-CE1 3.92Å; L54-F71 HydrophobicContact CD1-CE2 3.73Å; L54-F71 HydrophobicContact CD1-CG 3.88Å; L54-F71 HydrophobicContact CD1-CZ 3.78Å; L54-F71 HydrophobicContact CD2-CD2 4.31Å; L54-F71 HydrophobicContact CD2-CE2 4.43Å; L54-F71 HydrophobicContact CG-CD2 4.49Å; L54-F71 HydrophobicContact CG-CE2 4.27Å
55D91.4Very high88.3Confident33 Ų3376.8 Ų76.818%0.17641%0.406CS..Hα-helixtrans-62.1-42.2178.2-165.545.9000111.1F51 P52 K58 K59F51-D55 PolarHBondContact O-N 2.71Å; P52-D55 PolarHBondContact O-N 3.12Å; D55-K58 WeakPolarHBondContact O-CB 3.04Å; D55-K58 PolarHBondContact O-N 2.94Å; D55-K59 WeakPolarHBondContact O-CG 3.31Å; D55-K59 PolarHBondContact O-N 3.15Å; D55-K59 WeakPolarHBondContact OD2-CE 3.36Å; D55-K59 IonicContact OD2-NZ 3.96Å; D55-K59 PolarHBondContact OD2-NZ 3.17Å
56D89.8Confident88.2Confident77 Ų7772.7 Ų72.741%0.41240%0.398SS..Hα-helixtrans-66-42.6175.6-71.3-18.3000111.9P52 L54 K58 K59 N60P52-D56 WeakPolarHBondContact O-CB 3.36Å; P52-D56 VanDerWaalsContact O-CG 3.23Å; P52-D56 PolarHBondContact O-N 3.2Å; L54-D56 VanDerWaalsContact C-N 3.33Å; L54-D56 PolarHBondContact O-N 3.05Å; D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 PolarHBondContact O-N 2.74Å; D56-K59 PolarHBondContact O-N 3.43Å; D56-N60 VanDerWaalsContact O-CB 3.3Å; D56-N60 WeakPolarHBondContact O-CB 3.15Å; D56-N60 VanDerWaalsContact O-CG 3.27Å; D56-N60 PolarHBondContact O-N 2.66Å; D56-N60 PolarHBondContact O-ND2 3.47Å
57L87.3Confident87.9Confident98 Ų9873.7 Ų73.751%0.51340%0.397SS..Hα-helixtrans-60.8-41.1173.7-75.3170.2000111.6N53 L54 K59 N60 G61 G62 L63N53-L57 WeakPolarHBondContact O-CB 3.42Å; N53-L57 VanDerWaalsContact O-CG 3.23Å; N53-L57 WeakPolarHBondContact O-CG 3.41Å; N53-L57 PolarHBondContact O-N 3.48Å; N53-L57 VanDerWaalsContact O-N 3.1Å; L54-L57 HydrophobicContact CD2-CD1 4.5Å; L54-L57 PolarHBondContact O-N 2.95Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 2.89Å; L57-N60 PolarHBondContact O-N 3.12Å; L57-G61 PolarHBondContact O-N 2.69Å; L57-G62 PolarHBondContact O-N 2.8Å; L57-L63 HydrophobicContact CB-CD2 3.59Å; L57-L63 HydrophobicContact CB-CG 4.34Å; L57-L63 HydrophobicContact CD1-CD2 4.24Å
58K88.2Confident87.7Confident94 Ų9470.8 Ų70.841%0.40938%0.384SS..Hα-helixtrans-60.4-43.7176.8-175.660.6177178.70111.6Y48 L54 D55 D56 G62 L63Y48-K58 HydrophobicContact CD2-CB 4.08Å; Y48-K58 HydrophobicContact CD2-CG 3.87Å; Y48-K58 HydrophobicContact CE2-CB 4.27Å; Y48-K58 HydrophobicContact CE2-CD 3.91Å; Y48-K58 HydrophobicContact CE2-CG 3.73Å; L54-K58 WeakPolarHBondContact O-CB 3.47Å; L54-K58 PolarHBondContact O-N 3.18Å; D55-K58 WeakPolarHBondContact O-CB 3.04Å; D55-K58 PolarHBondContact O-N 2.94Å; D56-K58 VanDerWaalsContact C-N 3.31Å; D56-K58 PolarHBondContact O-N 2.74Å; K58-G62 PolarHBondContact O-N 3.42Å; K58-L63 HydrophobicContact CB-CD1 3.75Å; K58-L63 HydrophobicContact CB-CG 3.96Å; K58-L63 HydrophobicContact CD-CB 4.17Å; K58-L63 HydrophobicContact CD-CD1 4.18Å; K58-L63 HydrophobicContact CD-CG 4.19Å; K58-L63 HydrophobicContact CG-CD1 4.4Å
59K89.5Confident87.6Confident137 Ų13777.5 Ų77.560%0.59641%0.409SS*.Hα-helixtrans-69-34.9179.2-69.6169.2-167.4159.90113.2D55 D56 L57D55-K59 WeakPolarHBondContact O-CG 3.31Å; D55-K59 PolarHBondContact O-N 3.15Å; D55-K59 WeakPolarHBondContact OD2-CE 3.36Å; D55-K59 IonicContact OD2-NZ 3.96Å; D55-K59 PolarHBondContact OD2-NZ 3.17Å; D56-K59 PolarHBondContact O-N 3.43Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 2.89Å
60N86.1Confident87.4Confident139 Ų13969.1 Ų69.174%0.74338%0.382SS*.Hα-helixtrans-95.60.1-168.7-68.7-35.5000115.6D56 L57D56-N60 VanDerWaalsContact O-CB 3.3Å; D56-N60 WeakPolarHBondContact O-CB 3.15Å; D56-N60 VanDerWaalsContact O-CG 3.27Å; D56-N60 PolarHBondContact O-N 2.66Å; D56-N60 PolarHBondContact O-ND2 3.47Å; L57-N60 PolarHBondContact O-N 3.12Å
61G77.9Confident87.2Confident72 Ų7267.1 Ų67.174%0.74237%0.372SS*.Hα-helixtrans172.59.818000000115.7L57L57-G61 PolarHBondContact O-N 2.69Å
62G81.2Confident87.2Confident35 Ų3567.8 Ų67.836%0.36138%0.377SS..  trans79.5160.3-171.300000112.6L57 K58L57-G62 PolarHBondContact O-N 2.8Å; K58-G62 PolarHBondContact O-N 3.42Å
63L84.1Confident87Confident14 Ų1467.7 Ų67.77%0.07337%0.372CS..  trans-112.4117.5172.7-79.6172.1000107.4Y48 L54 L57 K58 I68Y48-L63 HydrophobicContact CD1-CD1 3.73Å; Y48-L63 HydrophobicContact CD2-CD1 4.47Å; Y48-L63 HydrophobicContact CE1-CD1 3.41Å; Y48-L63 VanDerWaalsContact CE1-CD1 3.41Å; Y48-L63 HydrophobicContact CE2-CD1 4.22Å; Y48-L63 HydrophobicContact CG-CD1 4.26Å; L54-L63 HydrophobicContact CB-CD1 4.41Å; L54-L63 HydrophobicContact CD2-CD2 4.33Å; L54-L63 WeakPolarHBondContact O-CD1 3.22Å; L57-L63 HydrophobicContact CB-CD2 3.59Å; L57-L63 HydrophobicContact CB-CG 4.34Å; L57-L63 HydrophobicContact CD1-CD2 4.24Å; K58-L63 HydrophobicContact CB-CD1 3.75Å; K58-L63 HydrophobicContact CB-CG 3.96Å; K58-L63 HydrophobicContact CD-CB 4.17Å; K58-L63 HydrophobicContact CD-CD1 4.18Å; K58-L63 HydrophobicContact CD-CG 4.19Å; K58-L63 HydrophobicContact CG-CD1 4.4Å; L63-I68 HydrophobicContact CB-CD1 3.92Å; L63-I68 HydrophobicContact CB-CG1 3.98Å; L63-I68 HydrophobicContact CD1-CG1 4.43Å
64P86.1Confident86.9Confident72 Ų7265 Ų6547%0.46836%0.357SS..  trans-57.2141172.9-27.337.1000112D66 V67 I68P64-D66 WeakPolarHBondContact CB-OD1 3.2Å; P64-D66 PolarHBondContact O-N 3.06Å; P64-V67 HydrophobicContact CB-CG2 4.11Å; P64-V67 HydrophobicContact CG-CG2 4.31Å; P64-V67 WeakPolarHBondContact O-CB 3.38Å; P64-V67 PolarHBondContact O-N 3.18Å; P64-I68 PolarHBondContact O-N 3.47Å
65D87.1Confident87Confident116 Ų11664.4 Ų64.462%0.6235%0.354SS*.Hα-helixtrans-61-30.5-176.2-72.5-12.4000113I68 R69D65-I68 PolarHBondContact O-N 3.33Å; D65-R69 VanDerWaalsContact O-CB 3.28Å; D65-R69 WeakPolarHBondContact O-CB 3.31Å; D65-R69 PolarHBondContact O-N 2.62Å
66D87.8Confident87Confident101 Ų10164.6 Ų64.654%0.5436%0.358SS..Hα-helixtrans-67.7-35.5175.666.6-54.4000112.3P64 S70P64-D66 WeakPolarHBondContact CB-OD1 3.2Å; P64-D66 PolarHBondContact O-N 3.06Å; D66-S70 WeakPolarHBondContact O-CB 3.47Å; D66-S70 PolarHBondContact O-N 3.13Å
67V85.7Confident86.8Confident56 Ų5662.6 Ų62.634%0.33935%0.347SS..Hα-helixtrans-67.2-45.1174.4176.60000110.2P64 S70 F71P64-V67 HydrophobicContact CB-CG2 4.11Å; P64-V67 HydrophobicContact CG-CG2 4.31Å; P64-V67 WeakPolarHBondContact O-CB 3.38Å; P64-V67 PolarHBondContact O-N 3.18Å; V67-S70 WeakPolarHBondContact O-CB 3.49Å; V67-S70 PolarHBondContact O-N 3.21Å; V67-F71 PolarHBondContact O-N 2.96Å
68I87.9Confident86.6Confident27 Ų2758 Ų5814%0.13832%0.323CS..Hα-helixtrans-61.8-50.4177.2-61.7166.6000109.9Y48 L63 P64 D65 S70 F71 C72Y48-I68 HydrophobicContact CE1-CG1 4.47Å; Y48-I68 VanDerWaalsContact OH-CD1 3.28Å; Y48-I68 WeakPolarHBondContact OH-CD1 3.09Å; L63-I68 HydrophobicContact CB-CD1 3.92Å; L63-I68 HydrophobicContact CB-CG1 3.98Å; L63-I68 HydrophobicContact CD1-CG1 4.43Å; P64-I68 PolarHBondContact O-N 3.47Å; D65-I68 PolarHBondContact O-N 3.33Å; I68-S70 VanDerWaalsContact C-N 3.33Å; I68-S70 PolarHBondContact O-N 2.86Å; I68-F71 PolarHBondContact O-N 2.95Å; I68-C72 PolarHBondContact O-N 2.8Å; I68-C72 PolarHBondContact O-SG 3.07Å
69R89.2Confident86.7Confident153 Ų15356 Ų5658%0.57732%0.315SS*.Hα-helixtrans-56.9-47.3178.2-171.3179.6-58.9113.66.1111.4D65 F71 C72 D73D65-R69 VanDerWaalsContact O-CB 3.28Å; D65-R69 WeakPolarHBondContact O-CB 3.31Å; D65-R69 PolarHBondContact O-N 2.62Å; R69-F71 VanDerWaalsContact C-N 3.3Å; R69-F71 PolarHBondContact O-N 3.13Å; R69-C72 PolarHBondContact O-N 3.28Å; R69-D73 PolarHBondContact O-N 3.3Å
70S86.8Confident86.6Confident24 Ų2455.1 Ų55.117%0.16831%0.313CS..Hα-helixtrans-55.9-44.9174.8-175.40000111.8D66 V67 I68 D73 H74 K241D66-S70 WeakPolarHBondContact O-CB 3.47Å; D66-S70 PolarHBondContact O-N 3.13Å; V67-S70 WeakPolarHBondContact O-CB 3.49Å; V67-S70 PolarHBondContact O-N 3.21Å; I68-S70 VanDerWaalsContact C-N 3.33Å; I68-S70 PolarHBondContact O-N 2.86Å; S70-D73 PolarHBondContact O-N 3.3Å; S70-H74 PolarHBondContact O-N 2.7Å; S70-H74 PolarHBondContact O-ND1 2.67Å; S70-H74 PolarHBondContact OG-CE1 2.81Å; S70-K241 VanDerWaalsContact CB-NZ 3.29Å; S70-K241 PolarHBondContact OG-NZ 3.48Å
71F87.4Confident86.1Confident8 Ų849.9 Ų49.94%0.03528%0.284CS..Hα-helixtrans-67.5-40.2179.9-154.4-80.9000112.2L4 L43 F51 L54 V67 I68 R69 H74 L75L4-F71 HydrophobicContact CB-CZ 4.25Å; L43-F71 HydrophobicContact CD1-CD1 3.39Å; L43-F71 HydrophobicContact CD1-CE1 3.79Å; L43-F71 HydrophobicContact CD1-CG 4.45Å; L43-F71 HydrophobicContact CD2-CD1 4.44Å; F51-F71 AromaticContact CD1-CE1 3.85Å; F51-F71 HydrophobicContact CD1-CE1 3.85Å; F51-F71 AromaticContact CD1-CZ 3.69Å; F51-F71 HydrophobicContact CD1-CZ 3.69Å; F51-F71 HydrophobicContact CD2-CE1 4.43Å; F51-F71 AromaticContact CE1-CE1 3.51Å; F51-F71 HydrophobicContact CE1-CE1 3.51Å; F51-F71 AromaticContact CE1-CZ 3.66Å; F51-F71 HydrophobicContact CE1-CZ 3.66Å; F51-F71 HydrophobicContact CE2-CE1 4.11Å; F51-F71 HydrophobicContact CG-CE1 4.31Å; F51-F71 HydrophobicContact CG-CZ 4.34Å; F51-F71 AromaticContact CZ-CE1 3.63Å; F51-F71 HydrophobicContact CZ-CE1 3.63Å; F51-F71 HydrophobicContact CZ-CZ 4.26Å; L54-F71 HydrophobicContact CD1-CD1 3.98Å; L54-F71 HydrophobicContact CD1-CD2 3.78Å; L54-F71 HydrophobicContact CD1-CE1 3.92Å; L54-F71 HydrophobicContact CD1-CE2 3.73Å; L54-F71 HydrophobicContact CD1-CG 3.88Å; L54-F71 HydrophobicContact CD1-CZ 3.78Å; L54-F71 HydrophobicContact CD2-CD2 4.31Å; L54-F71 HydrophobicContact CD2-CE2 4.43Å; L54-F71 HydrophobicContact CG-CD2 4.49Å; L54-F71 HydrophobicContact CG-CE2 4.27Å; V67-F71 PolarHBondContact O-N 2.96Å; I68-F71 PolarHBondContact O-N 2.95Å; R69-F71 VanDerWaalsContact C-N 3.3Å; R69-F71 PolarHBondContact O-N 3.13Å; F71-H74 PolarHBondContact O-N 2.98Å; F71-L75 HydrophobicContact CD1-CD1 3.82Å; F71-L75 HydrophobicContact CD1-CG 4.13Å; F71-L75 HydrophobicContact CE1-CD1 3.92Å; F71-L75 HydrophobicContact CE1-CG 4.15Å; F71-L75 WeakPolarHBondContact O-CG 3.37Å; F71-L75 PolarHBondContact O-N 2.68Å
72C90.7Very high86.1Confident14 Ų1446.5 Ų46.510%0.09525%0.249CC..Hα-helixtrans-59.8-46.4171.9-68.30000111.5H40 I68 R69 H74 L75 S76H40-C72 PolarHBondContact CD2-O 3.19Å; I68-C72 PolarHBondContact O-N 2.8Å; I68-C72 PolarHBondContact O-SG 3.07Å; R69-C72 PolarHBondContact O-N 3.28Å; C72-H74 VanDerWaalsContact C-N 3.32Å; C72-H74 PolarHBondContact O-N 3.22Å; C72-L75 PolarHBondContact O-N 3.13Å; C72-L75 VanDerWaalsContact O-N 3.13Å; C72-S76 PolarHBondContact O-N 3.03Å; C72-S76 PolarHBondContact O-OG 3.09Å
73D88.4Confident86.3Confident68 Ų6846.9 Ų46.936%0.36425%0.246SC..Hα-helixtrans-57.7-44.8177.1-65.9-23.2000111.4R69 S70 L75 S76 M77R69-D73 PolarHBondContact O-N 3.3Å; S70-D73 PolarHBondContact O-N 3.3Å; D73-L75 PolarHBondContact O-N 3.03Å; D73-S76 PolarHBondContact O-N 3.12Å; D73-M77 VanDerWaalsContact C-CE 3.44Å; D73-M77 HydrophobicContact CB-CE 3.86Å; D73-M77 WeakPolarHBondContact O-CB 3.45Å; D73-M77 WeakPolarHBondContact O-CE 3.12Å; D73-M77 PolarHBondContact O-N 3.44Å
74H84.9Confident86Confident14 Ų1449.3 Ų49.37%0.06526%0.257CS..Hα-helixtrans-61.6-41.1176.5-71.5110.2000112.6L4 S70 F71 C72 L78 L234 T237L4-H74 HydrophobicContact CD2-CB 4.47Å; S70-H74 PolarHBondContact O-N 2.7Å; S70-H74 PolarHBondContact O-ND1 2.67Å; S70-H74 PolarHBondContact OG-CE1 2.81Å; F71-H74 PolarHBondContact O-N 2.98Å; C72-H74 VanDerWaalsContact C-N 3.32Å; C72-H74 PolarHBondContact O-N 3.22Å; H74-L78 VanDerWaalsContact O-CB 3.24Å; H74-L78 WeakPolarHBondContact O-CB 3.31Å; H74-L78 PolarHBondContact O-N 2.76Å; H74-L234 VanDerWaalsContact CD2-CD2 3.45Å; H74-L234 WeakPolarHBondContact CD2-CD2 2.95Å; H74-L234 WeakPolarHBondContact NE2-CD2 3.45Å; H74-T237 WeakPolarHBondContact CD2-CG2 3.44Å; H74-T237 PolarHBondContact CD2-OG1 2.83Å; H74-T237 WeakPolarHBondContact NE2-CB 3.49Å; H74-T237 PolarHBondContact NE2-OG1 2.98Å
75L89.6Confident85.2Confident0 Ų046.9 Ų46.90%024%0.239CC..Hα-helixtrans-66-43.2177.2-76.1171.2000111.9L4 L36 F39 H40 L43 F51 F71 C72 D73 L78 H79L4-L75 HydrophobicContact CD1-CD2 3.58Å; L36-L75 HydrophobicContact CD2-CD2 3.81Å; F39-L75 HydrophobicContact CB-CD1 3.98Å; F39-L75 HydrophobicContact CB-CD2 4.26Å; F39-L75 HydrophobicContact CD2-CD2 4.47Å; H40-L75 HydrophobicContact CB-CB 4.24Å; H40-L75 HydrophobicContact CB-CD1 4.38Å; L43-L75 HydrophobicContact CD1-CD1 3.17Å; F51-L75 HydrophobicContact CZ-CD1 4.13Å; F51-L75 HydrophobicContact CZ-CD2 4.4Å; F71-L75 HydrophobicContact CD1-CD1 3.82Å; F71-L75 HydrophobicContact CD1-CG 4.13Å; F71-L75 HydrophobicContact CE1-CD1 3.92Å; F71-L75 HydrophobicContact CE1-CG 4.15Å; F71-L75 WeakPolarHBondContact O-CG 3.37Å; F71-L75 PolarHBondContact O-N 2.68Å; C72-L75 PolarHBondContact O-N 3.13Å; C72-L75 VanDerWaalsContact O-N 3.13Å; D73-L75 PolarHBondContact O-N 3.03Å; L75-L78 PolarHBondContact O-N 3.48Å; L75-H79 VanDerWaalsContact O-CB 3.24Å; L75-H79 WeakPolarHBondContact O-CB 3.37Å; L75-H79 PolarHBondContact O-N 3.31Å
76S91.6Very high84.5Confident37 Ų3742 Ų4226%0.25921%0.211SC..Hα-helixtrans-62.3-47.1177.2-65.90000111.4H40 C72 D73 L78 H79 E80H40-S76 PolarHBondContact CD2-OG 2.85Å; H40-S76 PolarHBondContact NE2-OG 2.67Å; C72-S76 PolarHBondContact O-N 3.03Å; C72-S76 PolarHBondContact O-OG 3.09Å; D73-S76 PolarHBondContact O-N 3.12Å; S76-L78 PolarHBondContact O-N 3.2Å; S76-H79 WeakPolarHBondContact O-CB 3.12Å; S76-H79 PolarHBondContact O-N 3.25Å; S76-E80 WeakPolarHBondContact O-CG 3.25Å; S76-E80 PolarHBondContact O-N 3.08Å
77M85Confident84Confident36 Ų3644.5 Ų44.518%0.17721%0.214CC..Hα-helixtrans-64.4-40.5176.5-76.8-179.7-81.100112.5D73 H79 D81 V233 T237D73-M77 VanDerWaalsContact C-CE 3.44Å; D73-M77 HydrophobicContact CB-CE 3.86Å; D73-M77 WeakPolarHBondContact O-CB 3.45Å; D73-M77 WeakPolarHBondContact O-CE 3.12Å; D73-M77 PolarHBondContact O-N 3.44Å; M77-H79 VanDerWaalsContact C-N 3.35Å; M77-D81 WeakPolarHBondContact O-CB 3.32Å; M77-D81 PolarHBondContact O-N 3.49Å; M77-V233 HydrophobicContact CB-CG1 4.29Å; M77-T237 HydrophobicContact CE-CG2 3.11Å; M77-T237 HydrophobicContact SD-CG2 3.54Å; M77-T237 VanDerWaalsContact SD-CG2 3.54Å
78L82.9Confident82.9Confident1 Ų143.3 Ų43.31%0.00521%0.205CC..Hα-helixtrans-65.1-41.6175.8-176.163.3000111L4 L36 H74 L75 S76 D81 M82 L229 L230 V233L4-L78 HydrophobicContact CD1-CD2 3.83Å; L4-L78 HydrophobicContact CD2-CD2 4.1Å; L4-L78 HydrophobicContact CG-CD2 4.15Å; L36-L78 HydrophobicContact CD1-CB 4.42Å; L36-L78 HydrophobicContact CD1-CD2 4.07Å; L36-L78 HydrophobicContact CD1-CG 3.85Å; L36-L78 HydrophobicContact CD2-CD2 3.77Å; L36-L78 HydrophobicContact CD2-CG 4.41Å; H74-L78 VanDerWaalsContact O-CB 3.24Å; H74-L78 WeakPolarHBondContact O-CB 3.31Å; H74-L78 PolarHBondContact O-N 2.76Å; L75-L78 PolarHBondContact O-N 3.48Å; S76-L78 PolarHBondContact O-N 3.2Å; L78-D81 PolarHBondContact O-N 3.32Å; L78-M82 HydrophobicContact CD1-CE 3.85Å; L78-M82 HydrophobicContact CD1-CG 4.23Å; L78-M82 HydrophobicContact CG-CE 4.46Å; L78-M82 HydrophobicContact CG-CG 4.32Å; L78-M82 VanDerWaalsContact O-CB 3.31Å; L78-M82 WeakPolarHBondContact O-CB 3.08Å; L78-M82 WeakPolarHBondContact O-CG 3.31Å; L78-M82 PolarHBondContact O-N 3.15Å; L78-L229 HydrophobicContact CD1-CD2 3.66Å; L78-L230 HydrophobicContact CD2-CD1 4.19Å; L78-V233 HydrophobicContact CB-CG1 4.5Å; L78-V233 HydrophobicContact CD1-CG2 4.14Å
79H90.8Very high81.9Confident52 Ų5242.6 Ų42.624%0.24120%0.202CC..Hα-helixtrans-60.5-50.6176.4173.8-84.9000111.1I33 L36 L75 S76 M77 D81 M82 C83I33-H79 PolarHBondContact O-CD2 3.21Å; L36-H79 HydrophobicContact CB-CB 4.1Å; L36-H79 HydrophobicContact CD1-CB 4.28Å; L75-H79 VanDerWaalsContact O-CB 3.24Å; L75-H79 WeakPolarHBondContact O-CB 3.37Å; L75-H79 PolarHBondContact O-N 3.31Å; S76-H79 WeakPolarHBondContact O-CB 3.12Å; S76-H79 PolarHBondContact O-N 3.25Å; M77-H79 VanDerWaalsContact C-N 3.35Å; H79-D81 PolarHBondContact O-N 3Å; H79-M82 PolarHBondContact O-N 3.29Å; H79-C83 VanDerWaalsContact CE1-SG 3.54Å; H79-C83 WeakPolarHBondContact O-CB 3.22Å; H79-C83 PolarHBondContact O-N 2.94Å; H79-C83 PolarHBondContact O-SG 3.18Å
80E87.1Confident81.2Confident119 Ų11937.3 Ų37.356%0.55619%0.188SC*.Hα-helixtrans-57.8-48.2176.3-73.3171.8-170.900111.9S76 M82 C83 E84S76-E80 WeakPolarHBondContact O-CG 3.25Å; S76-E80 PolarHBondContact O-N 3.08Å; E80-M82 VanDerWaalsContact C-N 3.33Å; E80-M82 PolarHBondContact O-N 3.39Å; E80-C83 PolarHBondContact O-N 3.46Å; E80-E84 WeakPolarHBondContact O-CB 3.48Å; E80-E84 PolarHBondContact O-N 2.81Å
81D75.8Confident80.7Confident28 Ų2840.2 Ų40.215%0.1521%0.208CC..Hα-helixtrans-64.1-38.2-180-171.261.1000111.2M77 L78 H79 R85 V233 R236M77-D81 WeakPolarHBondContact O-CB 3.32Å; M77-D81 PolarHBondContact O-N 3.49Å; L78-D81 PolarHBondContact O-N 3.32Å; H79-D81 PolarHBondContact O-N 3Å; D81-R85 WeakPolarHBondContact O-CB 3.43Å; D81-R85 PolarHBondContact O-N 3.45Å; D81-R85 IonicContact OD1-CZ 3.37Å; D81-R85 IonicContact OD1-NH1 3.96Å; D81-R85 IonicContact OD1-NH2 3.6Å; D81-R85 PolarHBondContact OD1-NH2 2.71Å; D81-R85 IonicContact OD2-CZ 2.67Å; D81-R85 IonicContact OD2-NH1 3.12Å; D81-R85 PolarHBondContact OD2-NH1 2.87Å; D81-R85 IonicContact OD2-NH2 2.73Å; D81-R85 PolarHBondContact OD2-NH2 2.97Å; D81-V233 HydrophobicContact CB-CG2 4.31Å; D81-R236 IonicContact OD1-NH1 2.85Å
82M78.4Confident79.8Confident1 Ų142.2 Ų42.21%0.00522%0.219CC..Hα-helixtrans-68.9-44.3174.5-72.6-61.3-170.900113.1F8 M11 F32 I33 L36 L78 H79 E80 E84 R85 Y86 L229F8-M82 HydrophobicContact CD2-CE 3.52Å; F8-M82 HydrophobicContact CE2-CE 3.19Å; F8-M82 HydrophobicContact CZ-CE 4.31Å; M11-M82 HydrophobicContact CE-CE 4.11Å; F32-M82 HydrophobicContact CD1-CE 4.31Å; F32-M82 HydrophobicContact CE1-CE 3.84Å; I33-M82 HydrophobicContact CD1-CB 4.17Å; I33-M82 HydrophobicContact CG1-CB 3.77Å; L36-M82 HydrophobicContact CD1-CG 4.12Å; L78-M82 HydrophobicContact CD1-CE 3.85Å; L78-M82 HydrophobicContact CD1-CG 4.23Å; L78-M82 HydrophobicContact CG-CE 4.46Å; L78-M82 HydrophobicContact CG-CG 4.32Å; L78-M82 VanDerWaalsContact O-CB 3.31Å; L78-M82 WeakPolarHBondContact O-CB 3.08Å; L78-M82 WeakPolarHBondContact O-CG 3.31Å; L78-M82 PolarHBondContact O-N 3.15Å; H79-M82 PolarHBondContact O-N 3.29Å; E80-M82 VanDerWaalsContact C-N 3.33Å; E80-M82 PolarHBondContact O-N 3.39Å; M82-E84 VanDerWaalsContact C-N 3.29Å; M82-E84 PolarHBondContact O-N 3.03Å; M82-R85 PolarHBondContact O-N 3.21Å; M82-Y86 WeakPolarHBondContact O-CB 3.05Å; M82-Y86 WeakPolarHBondContact O-CD2 3.12Å; M82-Y86 PolarHBondContact O-N 3.14Å; M82-Y86 HydrophobicContact SD-CD2 4.01Å; M82-Y86 HydrophobicContact SD-CE2 3.62Å; M82-L229 HydrophobicContact CE-CD1 4.2Å; M82-L229 HydrophobicContact CE-CD2 3.54Å; M82-L229 HydrophobicContact SD-CD1 4.38Å; M82-L229 HydrophobicContact SD-CD2 4.3Å
83C84.5Confident78.9Confident44 Ų4447.6 Ų47.630%0.29725%0.251SS..Hα-helixtrans-58.5-44.1175.7-780000111.1I33 H79 E80 R87I33-C83 WeakPolarHBondContact CG2-SG 3.48Å; H79-C83 VanDerWaalsContact CE1-SG 3.54Å; H79-C83 WeakPolarHBondContact O-CB 3.22Å; H79-C83 PolarHBondContact O-N 2.94Å; H79-C83 PolarHBondContact O-SG 3.18Å; E80-C83 PolarHBondContact O-N 3.46Å; C83-R87 WeakPolarHBondContact O-CA 3.45Å; C83-R87 WeakPolarHBondContact O-CB 3.48Å; C83-R87 PolarHBondContact O-N 2.86Å
84E77.5Confident78.1Confident64 Ų6446.4 Ų46.430%0.29924%0.244SC..Hα-helixtrans-70.6-43179.5178.959-169.800112.1E80 M82 R87 R216E80-E84 WeakPolarHBondContact O-CB 3.48Å; E80-E84 PolarHBondContact O-N 2.81Å; M82-E84 VanDerWaalsContact C-N 3.29Å; M82-E84 PolarHBondContact O-N 3.03Å; E84-R87 WeakPolarHBondContact O-CB 3.41Å; E84-R87 IonicContact OE1-NH2 2.78Å; E84-R87 IonicContact OE2-CZ 2.69Å; E84-R87 VanDerWaalsContact OE2-CZ 3.24Å; E84-R87 IonicContact OE2-NE 3.24Å; E84-R87 PolarHBondContact OE2-NE 3.48Å; E84-R87 IonicContact OE2-NH2 2.8Å; E84-R87 PolarHBondContact OE2-NH2 3.05Å; E84-R216 VanDerWaalsContact CD-NH2 3.32Å; E84-R216 IonicContact OE1-CZ 3.22Å; E84-R216 VanDerWaalsContact OE1-CZ 3.22Å; E84-R216 IonicContact OE1-NH1 2.66Å; E84-R216 PolarHBondContact OE1-NH1 3.35Å; E84-R216 IonicContact OE1-NH2 3.22Å; E84-R216 PolarHBondContact OE1-NH2 3.36Å
85R70.2Confident77.4Confident21 Ų2147.6 Ų47.68%0.07925%0.254CS..Hα-helixtrans-60.3-48.7177.9163.1155.2-44.7108.6-2.7111.7D81 M82 I220 L229D81-R85 WeakPolarHBondContact O-CB 3.43Å; D81-R85 PolarHBondContact O-N 3.45Å; D81-R85 IonicContact OD1-CZ 3.37Å; D81-R85 IonicContact OD1-NH1 3.96Å; D81-R85 IonicContact OD1-NH2 3.6Å; D81-R85 PolarHBondContact OD1-NH2 2.71Å; D81-R85 IonicContact OD2-CZ 2.67Å; D81-R85 IonicContact OD2-NH1 3.12Å; D81-R85 PolarHBondContact OD2-NH1 2.87Å; D81-R85 IonicContact OD2-NH2 2.73Å; D81-R85 PolarHBondContact OD2-NH2 2.97Å; M82-R85 PolarHBondContact O-N 3.21Å; R85-I220 HydrophobicContact CB-CD1 4.05Å; R85-I220 HydrophobicContact CB-CG1 4.27Å; R85-I220 VanDerWaalsContact CD-CG2 3.42Å; R85-I220 HydrophobicContact CG-CB 4Å; R85-I220 HydrophobicContact CG-CD1 3.43Å; R85-I220 VanDerWaalsContact CG-CD1 3.43Å; R85-I220 HydrophobicContact CG-CG1 3.39Å; R85-I220 HydrophobicContact CG-CG2 3.55Å; R85-I220 WeakPolarHBondContact O-CD1 3.36Å; R85-L229 VanDerWaalsContact CZ-CG 3.46Å
86Y71.8Confident76.8Confident13 Ų1352.7 Ų52.75%0.05128%0.281CS..THydrogen-bonded Turntrans-103.421.6-176.1-64.3-72000113.1V29 M82 D88 I89 S90 I220 V224V29-Y86 HydrophobicContact CB-CG 4.44Å; V29-Y86 VanDerWaalsContact CG1-CB 3.47Å; V29-Y86 HydrophobicContact CG1-CD1 4.01Å; V29-Y86 HydrophobicContact CG1-CD2 3.46Å; V29-Y86 VanDerWaalsContact CG1-CD2 3.46Å; V29-Y86 HydrophobicContact CG1-CE2 4.13Å; V29-Y86 HydrophobicContact CG1-CG 3.39Å; V29-Y86 HydrophobicContact CG2-CD1 4.05Å; V29-Y86 HydrophobicContact CG2-CD2 4.31Å; V29-Y86 HydrophobicContact CG2-CE1 3.96Å; V29-Y86 HydrophobicContact CG2-CE2 4.23Å; V29-Y86 HydrophobicContact CG2-CG 4.22Å; M82-Y86 WeakPolarHBondContact O-CB 3.05Å; M82-Y86 WeakPolarHBondContact O-CD2 3.12Å; M82-Y86 PolarHBondContact O-N 3.14Å; M82-Y86 HydrophobicContact SD-CD2 4.01Å; M82-Y86 HydrophobicContact SD-CE2 3.62Å; Y86-D88 PolarHBondContact O-N 3.41Å; Y86-I89 HydrophobicContact CD1-CD1 3.95Å; Y86-I89 HydrophobicContact CE1-CD1 4.46Å; Y86-I89 PolarHBondContact O-N 3.37Å; Y86-I89 VanDerWaalsContact O-N 3.13Å; Y86-S90 VanDerWaalsContact O-CB 3.25Å; Y86-S90 WeakPolarHBondContact O-CB 3.38Å; Y86-S90 PolarHBondContact O-N 3.32Å; Y86-S90 PolarHBondContact O-OG 3.03Å; Y86-I220 HydrophobicContact CD1-CG2 4.4Å; Y86-I220 HydrophobicContact CE1-CG2 3.65Å; Y86-V224 WeakPolarHBondContact OH-CG2 3.46Å
87R76.8Confident75.9Confident155 Ų15551.7 Ų51.759%0.58527%0.272SS*.Hα-helixtrans-48.9-47.8-176.5178-170.3-74.4-121.33111.4C83 E84 S90 S91C83-R87 WeakPolarHBondContact O-CA 3.45Å; C83-R87 WeakPolarHBondContact O-CB 3.48Å; C83-R87 PolarHBondContact O-N 2.86Å; E84-R87 WeakPolarHBondContact O-CB 3.41Å; E84-R87 IonicContact OE1-NH2 2.78Å; E84-R87 IonicContact OE2-CZ 2.69Å; E84-R87 VanDerWaalsContact OE2-CZ 3.24Å; E84-R87 IonicContact OE2-NE 3.24Å; E84-R87 PolarHBondContact OE2-NE 3.48Å; E84-R87 IonicContact OE2-NH2 2.8Å; E84-R87 PolarHBondContact OE2-NH2 3.05Å; R87-S90 PolarHBondContact O-N 2.9Å; R87-S91 VanDerWaalsContact O-CB 3.22Å; R87-S91 WeakPolarHBondContact O-CB 3.28Å; R87-S91 PolarHBondContact O-N 3.39Å; R87-S91 PolarHBondContact O-OG 2.86Å; R87-S91 VanDerWaalsContact O-OG 3.07Å
88D64.3Low75.3Confident30 Ų3051.4 Ų51.416%0.1627%0.272CS..Hα-helixtrans-71.9-35.4-175.552.517.2000113.1Y86 S91 M92 R217Y86-D88 PolarHBondContact O-N 3.41Å; D88-S91 WeakPolarHBondContact CA-OG 3.46Å; D88-S91 PolarHBondContact O-OG 2.97Å; D88-M92 PolarHBondContact O-N 3.07Å; D88-R217 PolarHBondContact O-NH2 3.23Å; D88-R217 VanDerWaalsContact O-NH2 3.12Å; D88-R217 IonicContact OD1-CZ 3.87Å; D88-R217 VanDerWaalsContact OD1-CZ 3.24Å; D88-R217 IonicContact OD1-NE 2.89Å; D88-R217 PolarHBondContact OD1-NE 3.47Å; D88-R217 IonicContact OD1-NH2 3.24Å; D88-R217 PolarHBondContact OD1-NH2 3.2Å; D88-R217 WeakPolarHBondContact OD2-CD 3.49Å; D88-R217 VanDerWaalsContact OD2-CG 3.24Å; D88-R217 WeakPolarHBondContact OD2-CG 2.92Å; D88-R217 IonicContact OD2-CZ 3.47Å; D88-R217 VanDerWaalsContact OD2-CZ 3.27Å; D88-R217 IonicContact OD2-NE 3.48Å; D88-R217 PolarHBondContact OD2-NE 3.36Å; D88-R217 IonicContact OD2-NH2 3.27Å; D88-R217 PolarHBondContact OD2-NH2 2.86Å
89I67.1Low75Confident13 Ų1354.7 Ų54.77%0.06729%0.289CS..Hα-helixtrans-73.3-42.1175.4-61.9-172.5000108.3L22 T25 K26 Y86 S91 M92L22-I89 HydrophobicContact CD1-CD1 4.09Å; L22-I89 HydrophobicContact CD1-CG1 4.24Å; L22-I89 HydrophobicContact CD1-CG2 4.31Å; T25-I89 HydrophobicContact CG2-CD1 3.9Å; K26-I89 VanDerWaalsContact CA-CG2 3.48Å; K26-I89 HydrophobicContact CB-CG2 3.62Å; K26-I89 HydrophobicContact CG-CG2 4.09Å; K26-I89 WeakPolarHBondContact CG-O 2.91Å; K26-I89 PolarHBondContact NZ-O 2.73Å; Y86-I89 HydrophobicContact CD1-CD1 3.95Å; Y86-I89 HydrophobicContact CE1-CD1 4.46Å; Y86-I89 PolarHBondContact O-N 3.37Å; Y86-I89 VanDerWaalsContact O-N 3.13Å; I89-S91 PolarHBondContact O-N 2.92Å; I89-M92 WeakPolarHBondContact O-CB 3.27Å; I89-M92 PolarHBondContact O-N 3.45Å
90S72.8Confident74.5Confident42 Ų4255.2 Ų55.229%0.29429%0.294SS..Hα-helixtrans-65.9-34.6177.7-64.50000112.5K26 Y86 R87K26-S90 PolarHBondContact NZ-O 3.35Å; Y86-S90 VanDerWaalsContact O-CB 3.25Å; Y86-S90 WeakPolarHBondContact O-CB 3.38Å; Y86-S90 PolarHBondContact O-N 3.32Å; Y86-S90 PolarHBondContact O-OG 3.03Å; R87-S90 PolarHBondContact O-N 2.9Å
91S76.2Confident73.8Confident85 Ų8549.6 Ų49.659%0.59427%0.267SS*.Hα-helixtrans-84-13.1177.568.80000114R87 D88 I89 T93R87-S91 VanDerWaalsContact O-CB 3.22Å; R87-S91 WeakPolarHBondContact O-CB 3.28Å; R87-S91 PolarHBondContact O-N 3.39Å; R87-S91 PolarHBondContact O-OG 2.86Å; R87-S91 VanDerWaalsContact O-OG 3.07Å; D88-S91 WeakPolarHBondContact CA-OG 3.46Å; D88-S91 PolarHBondContact O-OG 2.97Å; I89-S91 PolarHBondContact O-N 2.92Å; S91-T93 PolarHBondContact O-N 3.43Å
92M70Confident74.2Confident50 Ų5050.4 Ų50.425%0.24627%0.27CS..  trans-60.9125.6-180-177.8-179.366.700111.4L22 K26 D88 I89 I94L22-M92 HydrophobicContact CD2-CE 3.59Å; L22-M92 HydrophobicContact CD2-SD 3.23Å; L22-M92 WeakPolarHBondContact CD2-SD 3.1Å; L22-M92 HydrophobicContact CG-CE 3.63Å; L22-M92 HydrophobicContact CG-SD 3.99Å; K26-M92 HydrophobicContact CB-CE 4.46Å; K26-M92 HydrophobicContact CD-CE 4.12Å; K26-M92 VanDerWaalsContact CE-O 3.31Å; K26-M92 WeakPolarHBondContact CE-O 3.46Å; K26-M92 PolarHBondContact NZ-O 3.03Å; D88-M92 PolarHBondContact O-N 3.07Å; I89-M92 WeakPolarHBondContact O-CB 3.27Å; I89-M92 PolarHBondContact O-N 3.45Å; M92-I94 HydrophobicContact CE-CD1 4.06Å; M92-I94 HydrophobicContact CE-CG1 3.77Å
93T72.3Confident74.2Confident126 Ų12652.9 Ų52.977%0.77329%0.285SS*.  trans-79.4130.9168.647.80000109.4S91S91-T93 PolarHBondContact O-N 3.43Å
94I70.4Confident73.4Confident44 Ų4455.9 Ų55.923%0.22631%0.305CS..  trans-106.3112.7170.2-60.9166.7000104.9I23 K26 M92 V98 L99I23-I94 HydrophobicContact CB-CD1 4.06Å; I23-I94 HydrophobicContact CD1-CD1 4.5Å; I23-I94 HydrophobicContact CD1-CG2 3.9Å; I23-I94 HydrophobicContact CG1-CD1 3.77Å; I23-I94 HydrophobicContact CG1-CG1 4.31Å; I23-I94 HydrophobicContact CG1-CG2 4.27Å; I23-I94 HydrophobicContact CG2-CD1 3.87Å; K26-I94 HydrophobicContact CD-CD1 3.54Å; K26-I94 HydrophobicContact CD-CG1 4.2Å; M92-I94 HydrophobicContact CE-CD1 4.06Å; M92-I94 HydrophobicContact CE-CG1 3.77Å; I94-V98 HydrophobicContact CG2-CB 4.37Å; I94-L99 HydrophobicContact CG2-CD1 4.36Å; I94-L99 HydrophobicContact CG2-CD2 4.21Å; I94-L99 HydrophobicContact CG2-CG 4.04Å
95S70.7Confident73.1Confident39 Ų3954.5 Ų54.527%0.27330%0.3SS..  trans-68.5142.4177.7-53.50000110.5W97 V98S95-W97 PolarHBondContact O-N 2.84Å; S95-V98 WeakPolarHBondContact O-CB 3.41Å; S95-V98 PolarHBondContact O-N 3.35Å
96D77.4Confident73.1Confident107 Ų10757.7 Ų57.757%0.57233%0.331SS*.Hα-helixtrans-57.8-35-176.9-71-15.8000112.5V98 L99 D100D96-V98 PolarHBondContact O-N 3.5Å; D96-V98 VanDerWaalsContact O-N 3.13Å; D96-L99 WeakPolarHBondContact O-CB 3.34Å; D96-L99 PolarHBondContact O-N 2.82Å; D96-D100 PolarHBondContact O-N 2.83Å
97W72.8Confident72.9Confident16 Ų1665.5 Ų65.56%0.06137%0.368CS..Hα-helixtrans-61.8-21.4176.872.4-97.6000113.9S95 D100 P101 V108 Y112 L116 W137 V151S95-W97 PolarHBondContact O-N 2.84Å; W97-D100 CarbonylContact O-C 3.52Å; W97-P101 WeakPolarHBondContact O-CA 3.48Å; W97-P101 WeakPolarHBondContact O-CB 3.41Å; W97-P101 WeakPolarHBondContact O-CD 3.49Å; W97-V108 HydrophobicContact CB-CG2 4.23Å; W97-V108 HydrophobicContact CG-CG2 4.15Å; W97-Y112 HydrophobicContact CZ2-CD2 4.03Å; W97-Y112 HydrophobicContact CZ2-CE2 4.34Å; W97-Y112 HydrophobicContact CZ2-CG 4.39Å; W97-L116 HydrophobicContact CB-CD1 3.73Å; W97-L116 HydrophobicContact CD2-CD1 3.84Å; W97-L116 HydrophobicContact CD2-CD2 4.26Å; W97-L116 HydrophobicContact CE3-CD1 4.11Å; W97-L116 HydrophobicContact CE3-CD2 3.67Å; W97-L116 HydrophobicContact CE3-CG 4.48Å; W97-L116 HydrophobicContact CG-CD1 3.68Å; W97-L116 HydrophobicContact CZ3-CD2 4.22Å; W97-W137 HydrophobicContact CE3-CH2 4.14Å; W97-W137 HydrophobicContact CE3-CZ2 4.19Å; W97-W137 AromaticContact CZ3-CH2 3.84Å; W97-W137 HydrophobicContact CZ3-CH2 3.84Å; W97-W137 HydrophobicContact CZ3-CZ2 4.08Å; W97-V151 HydrophobicContact CH2-CB 4.11Å; W97-V151 HydrophobicContact CH2-CG1 3.64Å; W97-V151 HydrophobicContact CH2-CG2 3.44Å; W97-V151 VanDerWaalsContact CH2-CG2 3.44Å; W97-V151 HydrophobicContact CZ2-CG2 4.47Å; W97-V151 HydrophobicContact CZ3-CB 4.45Å; W97-V151 HydrophobicContact CZ3-CG1 3.73Å; W97-V151 HydrophobicContact CZ3-CG2 3.87Å
98V71.6Confident72.5Confident30 Ų3058.6 Ų58.618%0.18234%0.343CS..Hα-helixtrans-74.5-34.6174.4179.80000110.6I23 I94 S95 D96 W137I23-V98 HydrophobicContact CD1-CG1 3.88Å; I94-V98 HydrophobicContact CG2-CB 4.37Å; S95-V98 WeakPolarHBondContact O-CB 3.41Å; S95-V98 PolarHBondContact O-N 3.35Å; D96-V98 PolarHBondContact O-N 3.5Å; D96-V98 VanDerWaalsContact O-N 3.13Å; V98-W137 PolarHBondContact O-NE1 2.84Å
99L76.4Confident72.6Confident70 Ų7061.8 Ų61.837%0.36636%0.357SS..Hα-helixtrans-81.1-38.5177.8-61.1177.9000111.4I23 I94 D96 Y133I23-L99 HydrophobicContact CD1-CD2 3.81Å; I23-L99 HydrophobicContact CG2-CD2 4.1Å; I94-L99 HydrophobicContact CG2-CD1 4.36Å; I94-L99 HydrophobicContact CG2-CD2 4.21Å; I94-L99 HydrophobicContact CG2-CG 4.04Å; D96-L99 WeakPolarHBondContact O-CB 3.34Å; D96-L99 PolarHBondContact O-N 2.82Å; L99-Y133 HydrophobicContact CD2-CD1 4.28Å; L99-Y133 HydrophobicContact CD2-CE1 4.29Å
100D80.3Confident73Confident63 Ų6366.9 Ų66.934%0.33739%0.388SS..  trans-144.990.2176.9-169-12.3000110.8D96 W97 F102 T103D96-D100 PolarHBondContact O-N 2.83Å; W97-D100 CarbonylContact O-C 3.52Å; D100-F102 PolarHBondContact O-N 3.37Å; D100-F102 WeakPolarHBondContact OD1-CB 3.37Å; D100-F102 PolarHBondContact OD1-N 3.11Å; D100-T103 HydrophobicContact CB-CG2 3.68Å; D100-T103 PolarHBondContact O-N 3Å; D100-T103 VanDerWaalsContact O-N 3.13Å; D100-T103 PolarHBondContact O-OG1 3.06Å; D100-T103 WeakPolarHBondContact OD2-CG2 3.25Å
101P73.5Confident72.8Confident0 Ų067.7 Ų67.70%040%0.398CS..THydrogen-bonded Turntrans-62.6-10.3178.420.3-31.8000114.4W97 L116 M119 Q120 M129 F136 W137W97-P101 WeakPolarHBondContact O-CA 3.48Å; W97-P101 WeakPolarHBondContact O-CB 3.41Å; W97-P101 WeakPolarHBondContact O-CD 3.49Å; P101-L116 HydrophobicContact CB-CD2 4.39Å; P101-M119 HydrophobicContact CB-CE 3.31Å; P101-M119 HydrophobicContact CB-SD 3.92Å; P101-M119 HydrophobicContact CG-CE 4.21Å; P101-M119 HydrophobicContact CG-SD 4.21Å; P101-Q120 WeakPolarHBondContact O-CG 3.37Å; P101-Q120 PolarHBondContact O-NE2 2.87Å; P101-M129 HydrophobicContact CG-CE 3.27Å; P101-F136 HydrophobicContact CG-CD1 4.12Å; P101-F136 HydrophobicContact CG-CE1 3.54Å; P101-F136 HydrophobicContact CG-CZ 4.04Å; P101-W137 HydrophobicContact CB-CH2 4.09Å; P101-W137 HydrophobicContact CB-CZ2 4.03Å; P101-W137 HydrophobicContact CG-CH2 4.19Å; P101-W137 HydrophobicContact CG-CZ2 3.83Å
102F83.1Confident72.4Confident45 Ų4564.3 Ų64.320%0.19737%0.372CS..THydrogen-bonded Turntrans-92.84.4178.6-58.3-82.4000113.6D100 M119 Q120 L125 K126 M129 F136D100-F102 PolarHBondContact O-N 3.37Å; D100-F102 WeakPolarHBondContact OD1-CB 3.37Å; D100-F102 PolarHBondContact OD1-N 3.11Å; F102-M119 HydrophobicContact CE1-CG 4.38Å; F102-M119 WeakPolarHBondContact CE1-O 3.02Å; F102-M119 HydrophobicContact CZ-CG 4.3Å; F102-Q120 HydrophobicContact CD1-CG 4.33Å; F102-L125 HydrophobicContact CE1-CB 4.4Å; F102-L125 HydrophobicContact CZ-CB 3.83Å; F102-K126 HydrophobicContact CD1-CD 4.46Å; F102-K126 HydrophobicContact CD1-CG 3.63Å; F102-K126 HydrophobicContact CE1-CB 4.43Å; F102-K126 HydrophobicContact CE1-CG 3.49Å; F102-K126 VanDerWaalsContact CE1-CG 3.49Å; F102-K126 HydrophobicContact CG-CG 4.3Å; F102-K126 HydrophobicContact CZ-CG 4.07Å; F102-M129 HydrophobicContact CD2-CB 4.27Å; F102-M129 HydrophobicContact CD2-CE 3.94Å; F102-M129 HydrophobicContact CD2-CG 4.32Å; F102-M129 HydrophobicContact CE2-CB 3.98Å; F102-M129 HydrophobicContact CE2-CE 3.66Å; F102-M129 HydrophobicContact CE2-CG 4.41Å; F102-F136 AromaticContact CE2-CE2 3.81Å; F102-F136 HydrophobicContact CE2-CE2 3.81Å; F102-F136 AromaticContact CE2-CZ 3.77Å; F102-F136 HydrophobicContact CE2-CZ 3.77Å; F102-F136 AromaticContact CZ-CE2 3.98Å; F102-F136 HydrophobicContact CZ-CE2 3.98Å; F102-F136 AromaticContact CZ-CZ 3.88Å; F102-F136 HydrophobicContact CZ-CZ 3.88Å
103T78.6Confident72.6Confident54 Ų5465.2 Ų65.233%0.33138%0.375SS..SBendtrans-92.5175.9177.359.20000113.2D100 L105 Q120D100-T103 HydrophobicContact CB-CG2 3.68Å; D100-T103 PolarHBondContact O-N 3Å; D100-T103 VanDerWaalsContact O-N 3.13Å; D100-T103 PolarHBondContact O-OG1 3.06Å; D100-T103 WeakPolarHBondContact OD2-CG2 3.25Å; T103-L105 PolarHBondContact O-N 3.32Å; T103-Q120 PolarHBondContact O-NE2 2.94Å
104C67.3Low72.9Confident106 Ų10665.3 Ų65.372%0.71637%0.367SS*.  trans-56.1134.8-171.4-170.50000113.2A106C104-A106 VanDerWaalsContact C-N 3.27Å; C104-A106 PolarHBondContact O-N 3.48Å
105L70.7Confident73.1Confident36 Ų3664.4 Ų64.419%0.18836%0.362CS..  trans-825-178.6-60.5174.3000114.5T103 E107 V108 L116 I117T103-L105 PolarHBondContact O-N 3.32Å; L105-E107 PolarHBondContact O-N 3.1Å; L105-V108 HydrophobicContact CB-CG2 4.23Å; L105-V108 HydrophobicContact CD2-CG2 3.91Å; L105-V108 PolarHBondContact O-N 3.47Å; L105-V108 VanDerWaalsContact O-N 3.08Å; L105-L116 HydrophobicContact CD2-CB 3.54Å; L105-L116 HydrophobicContact CD2-CD1 3.65Å; L105-L116 HydrophobicContact CD2-CG 4.26Å; L105-I117 HydrophobicContact CD1-CD1 4.1Å; L105-I117 HydrophobicContact CD1-CG1 3.37Å
106A70.2Confident73.3Confident88 Ų8862.6 Ų62.673%0.72735%0.349SS*.THydrogen-bonded Turntrans-58.5-27.1-166.600000114.5C104C104-A106 VanDerWaalsContact C-N 3.27Å; C104-A106 PolarHBondContact O-N 3.48Å
107E68.3Low73.5Confident176 Ų17661.9 Ų61.982%0.82234%0.344SS*.THydrogen-bonded Turntrans-113.613-178.6-58.6-171174.200113.5L105L105-E107 PolarHBondContact O-N 3.1Å
108V69.5Low73.9Confident10 Ų1066 Ų666%0.06136%0.364CS..  trans-81.1131.1-178.4-178.60000110.1W97 L105 V110 Y112 Q113 L116W97-V108 HydrophobicContact CB-CG2 4.23Å; W97-V108 HydrophobicContact CG-CG2 4.15Å; L105-V108 HydrophobicContact CB-CG2 4.23Å; L105-V108 HydrophobicContact CD2-CG2 3.91Å; L105-V108 PolarHBondContact O-N 3.47Å; L105-V108 VanDerWaalsContact O-N 3.08Å; V108-V110 PolarHBondContact O-N 3.4Å; V108-Y112 HydrophobicContact CG1-CD2 4.49Å; V108-Q113 HydrophobicContact CB-CG 4.16Å; V108-Q113 HydrophobicContact CG1-CG 4.03Å; V108-Q113 PolarHBondContact O-NE2 3.15Å; V108-L116 HydrophobicContact CB-CD1 4.25Å; V108-L116 HydrophobicContact CG1-CD1 3.5Å; V108-L116 VanDerWaalsContact CG1-CD1 3.5Å; V108-L116 HydrophobicContact CG2-CD1 3.74Å
109E65.5Low74.2Confident98 Ų9864.7 Ų64.746%0.45836%0.356SS..  trans-54.3136.6170.7-61.3174.8-143.800110.8A111 Y112 R154E109-A111 PolarHBondContact O-N 3.34Å; E109-Y112 HydrophobicContact CB-CD2 3.9Å; E109-Y112 HydrophobicContact CB-CE2 4.01Å; E109-Y112 HydrophobicContact CG-CE2 4.43Å; E109-Y112 PolarHBondContact O-N 3Å; E109-R154 IonicContact OE1-NH2 3.73Å; E109-R154 IonicContact OE2-NH2 3.99Å
110V75.7Confident74.6Confident119 Ų11963.6 Ų63.672%0.72135%0.349SS*.Hα-helixtrans-50.7-34.3-174.9175.90000112.7V108 Y112 Q113V108-V110 PolarHBondContact O-N 3.4Å; V110-Y112 PolarHBondContact O-N 3.21Å; V110-Y112 VanDerWaalsContact O-N 3.12Å; V110-Q113 PolarHBondContact O-N 3.45Å
111A68.9Low74.8Confident60 Ų6064.1 Ų64.150%0.49636%0.362SS..Hα-helixtrans-56.3-26.3178.700000114.3E109E109-A111 PolarHBondContact O-N 3.34Å
112Y67.6Low75.3Confident14 Ų1466.9 Ų66.96%0.05538%0.377CS..Hα-helixtrans-107.8-10.5-175.5-48.9-53.4000113.5W97 V108 E109 V110 E114 E115 L116 D150 V151 R154W97-Y112 HydrophobicContact CZ2-CD2 4.03Å; W97-Y112 HydrophobicContact CZ2-CE2 4.34Å; W97-Y112 HydrophobicContact CZ2-CG 4.39Å; V108-Y112 HydrophobicContact CG1-CD2 4.49Å; E109-Y112 HydrophobicContact CB-CD2 3.9Å; E109-Y112 HydrophobicContact CB-CE2 4.01Å; E109-Y112 HydrophobicContact CG-CE2 4.43Å; E109-Y112 PolarHBondContact O-N 3Å; V110-Y112 PolarHBondContact O-N 3.21Å; V110-Y112 VanDerWaalsContact O-N 3.12Å; Y112-E114 PolarHBondContact O-N 2.87Å; Y112-E115 PolarHBondContact O-N 3.23Å; Y112-L116 VanDerWaalsContact O-CG 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.4Å; Y112-L116 PolarHBondContact O-N 3.35Å; Y112-D150 HydrophobicContact CE1-CB 3.65Å; Y112-V151 HydrophobicContact CD1-CG2 4.09Å; Y112-V151 HydrophobicContact CE1-CG2 4.3Å; Y112-R154 PolarHBondContact OH-NH2 3.19Å
113Q73.9Confident75.6Confident69 Ų6970.6 Ų70.632%0.32240%0.395SS..Hα-helixtrans-61.5-46.4-168.6-71-178.9-2.600112.9V108 V110 E115 L116 I117V108-Q113 HydrophobicContact CB-CG 4.16Å; V108-Q113 HydrophobicContact CG1-CG 4.03Å; V108-Q113 PolarHBondContact O-NE2 3.15Å; V110-Q113 PolarHBondContact O-N 3.45Å; Q113-E115 VanDerWaalsContact C-N 3.35Å; Q113-E115 PolarHBondContact O-N 3.34Å; Q113-L116 PolarHBondContact O-N 3.01Å; Q113-I117 WeakPolarHBondContact O-CG1 3.46Å; Q113-I117 PolarHBondContact O-N 3.31Å
114E79.2Confident75.9Confident128 Ų12875.4 Ų75.460%0.59841%0.414SS*.Hα-helixtrans-61.5-43.6180-66.4-172.8-173.800112Y112 I117 E118 R147Y112-E114 PolarHBondContact O-N 2.87Å; E114-I117 PolarHBondContact O-N 3.37Å; E114-E118 WeakPolarHBondContact O-CG 3.33Å; E114-E118 PolarHBondContact O-N 2.92Å; E114-R147 IonicContact OE2-CZ 3.9Å; E114-R147 IonicContact OE2-NH2 2.71Å; E114-R147 PolarHBondContact OE2-NH2 2.7Å
115E74Confident76.7Confident25 Ų2570.8 Ų70.812%0.11738%0.382CS..Hα-helixtrans-67.6-39.7-178.3-60.3174.7-171.700111.7Y112 Q113 E118 M119 R147 L148Y112-E115 PolarHBondContact O-N 3.23Å; Q113-E115 VanDerWaalsContact C-N 3.35Å; Q113-E115 PolarHBondContact O-N 3.34Å; E115-E118 PolarHBondContact O-N 3.18Å; E115-M119 WeakPolarHBondContact O-CB 3.49Å; E115-M119 PolarHBondContact O-N 3.17Å; E115-R147 VanDerWaalsContact CD-CB 3.47Å; E115-R147 HydrophobicContact CG-CB 3.61Å; E115-R147 VanDerWaalsContact OE1-CB 3.29Å; E115-R147 WeakPolarHBondContact OE1-CB 3.43Å; E115-R147 VanDerWaalsContact OE2-O 3.08Å; E115-L148 HydrophobicContact CB-CD2 4.05Å; E115-L148 WeakPolarHBondContact OE2-CA 3.28Å; E115-L148 WeakPolarHBondContact OE2-CD2 3.18Å; E115-L148 PolarHBondContact OE2-N 3.49Å
116L74.9Confident77.4Confident0 Ų073 Ų730%039%0.39CS..Hα-helixtrans-67.9-36.6174.4-65.1-175.4000111.5W97 P101 L105 V108 Y112 Q113 M119 Q120W97-L116 HydrophobicContact CB-CD1 3.73Å; W97-L116 HydrophobicContact CD2-CD1 3.84Å; W97-L116 HydrophobicContact CD2-CD2 4.26Å; W97-L116 HydrophobicContact CE3-CD1 4.11Å; W97-L116 HydrophobicContact CE3-CD2 3.67Å; W97-L116 HydrophobicContact CE3-CG 4.48Å; W97-L116 HydrophobicContact CG-CD1 3.68Å; W97-L116 HydrophobicContact CZ3-CD2 4.22Å; P101-L116 HydrophobicContact CB-CD2 4.39Å; L105-L116 HydrophobicContact CD2-CB 3.54Å; L105-L116 HydrophobicContact CD2-CD1 3.65Å; L105-L116 HydrophobicContact CD2-CG 4.26Å; V108-L116 HydrophobicContact CB-CD1 4.25Å; V108-L116 HydrophobicContact CG1-CD1 3.5Å; V108-L116 VanDerWaalsContact CG1-CD1 3.5Å; V108-L116 HydrophobicContact CG2-CD1 3.74Å; Y112-L116 VanDerWaalsContact O-CG 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.4Å; Y112-L116 PolarHBondContact O-N 3.35Å; Q113-L116 PolarHBondContact O-N 3.01Å; L116-M119 HydrophobicContact CD2-CE 3.17Å; L116-M119 HydrophobicContact CG-CE 4.43Å; L116-M119 PolarHBondContact O-N 3.48Å; L116-Q120 VanDerWaalsContact O-CB 3.28Å; L116-Q120 WeakPolarHBondContact O-CB 3.21Å; L116-Q120 WeakPolarHBondContact O-CG 3.38Å; L116-Q120 PolarHBondContact O-N 3.36Å
117I81.5Confident78.3Confident93 Ų9372.5 Ų72.548%0.47738%0.379SS..Hα-helixtrans-62.1-46.7174.5-70.2165.1000110.6L105 Q113 E114 M119 Q120 A121L105-I117 HydrophobicContact CD1-CD1 4.1Å; L105-I117 HydrophobicContact CD1-CG1 3.37Å; Q113-I117 WeakPolarHBondContact O-CG1 3.46Å; Q113-I117 PolarHBondContact O-N 3.31Å; E114-I117 PolarHBondContact O-N 3.37Å; I117-M119 VanDerWaalsContact C-N 3.33Å; I117-M119 PolarHBondContact O-N 2.96Å; I117-Q120 PolarHBondContact O-N 2.76Å; I117-A121 WeakPolarHBondContact O-CB 3.43Å; I117-A121 PolarHBondContact O-N 2.84Å
118E80.8Confident79Confident101 Ų10167.1 Ų67.147%0.47235%0.353SS..Hα-helixtrans-60.7-42.9177.4-73.7178.4175.700111.6E114 E115 A121 N122 R147E114-E118 WeakPolarHBondContact O-CG 3.33Å; E114-E118 PolarHBondContact O-N 2.92Å; E115-E118 PolarHBondContact O-N 3.18Å; E118-A121 PolarHBondContact O-N 3.32Å; E118-N122 PolarHBondContact O-N 3.35Å; E118-R147 IonicContact OE1-CZ 3.81Å; E118-R147 IonicContact OE1-NH1 2.67Å; E118-R147 PolarHBondContact OE1-NH1 2.86Å; E118-R147 IonicContact OE2-CZ 3.81Å; E118-R147 IonicContact OE2-NH1 3.07Å; E118-R147 PolarHBondContact OE2-NH1 2.86Å; E118-R147 VanDerWaalsContact OE2-NH1 3.07Å
119M79.3Confident79.6Confident4 Ų468 Ų682%0.0236%0.357CS..Hα-helixtrans-65.5-40.3175.3179.9170.244.800112.2P101 F102 E115 L116 I117 A121 N122 L125 F136 W137P101-M119 HydrophobicContact CB-CE 3.31Å; P101-M119 HydrophobicContact CB-SD 3.92Å; P101-M119 HydrophobicContact CG-CE 4.21Å; P101-M119 HydrophobicContact CG-SD 4.21Å; F102-M119 HydrophobicContact CE1-CG 4.38Å; F102-M119 WeakPolarHBondContact CE1-O 3.02Å; F102-M119 HydrophobicContact CZ-CG 4.3Å; E115-M119 WeakPolarHBondContact O-CB 3.49Å; E115-M119 PolarHBondContact O-N 3.17Å; L116-M119 HydrophobicContact CD2-CE 3.17Å; L116-M119 HydrophobicContact CG-CE 4.43Å; L116-M119 PolarHBondContact O-N 3.48Å; I117-M119 VanDerWaalsContact C-N 3.33Å; I117-M119 PolarHBondContact O-N 2.96Å; M119-A121 VanDerWaalsContact C-N 3.34Å; M119-A121 PolarHBondContact O-N 3.48Å; M119-N122 WeakPolarHBondContact O-CB 3.28Å; M119-N122 PolarHBondContact O-N 2.61Å; M119-N122 VanDerWaalsContact O-N 3.14Å; M119-L125 HydrophobicContact CG-CD1 3.86Å; M119-F136 HydrophobicContact CG-CZ 4.29Å; M119-F136 HydrophobicContact SD-CE1 3.63Å; M119-F136 HydrophobicContact SD-CZ 3.58Å; M119-F136 VanDerWaalsContact SD-CZ 3.58Å; M119-W137 HydrophobicContact CE-CH2 3.92Å; M119-W137 HydrophobicContact CE-CZ3 4.43Å; M119-W137 HydrophobicContact SD-CH2 4.23Å; M119-W137 HydrophobicContact SD-CZ3 4.34Å
120Q83.1Confident80.6Confident46 Ų4672.4 Ų72.422%0.21537%0.374CS..Hα-helixtrans-65.2-36.6178.1-79.8-1791100113.1P101 F102 T103 L116 I117 N122 K126P101-Q120 WeakPolarHBondContact O-CG 3.37Å; P101-Q120 PolarHBondContact O-NE2 2.87Å; F102-Q120 HydrophobicContact CD1-CG 4.33Å; T103-Q120 PolarHBondContact O-NE2 2.94Å; L116-Q120 VanDerWaalsContact O-CB 3.28Å; L116-Q120 WeakPolarHBondContact O-CB 3.21Å; L116-Q120 WeakPolarHBondContact O-CG 3.38Å; L116-Q120 PolarHBondContact O-N 3.36Å; I117-Q120 PolarHBondContact O-N 2.76Å; Q120-N122 PolarHBondContact O-N 2.82Å; Q120-K126 VanDerWaalsContact O-CE 3.3Å; Q120-K126 WeakPolarHBondContact O-CE 3.22Å
121A85.3Confident80.8Confident74 Ų7469.3 Ų69.361%0.61237%0.367SS*.Hα-helixtrans-71.7-16.7175.200000112.8I117 E118 M119 E123I117-A121 WeakPolarHBondContact O-CB 3.43Å; I117-A121 PolarHBondContact O-N 2.84Å; E118-A121 PolarHBondContact O-N 3.32Å; M119-A121 VanDerWaalsContact C-N 3.34Å; M119-A121 PolarHBondContact O-N 3.48Å; A121-E123 PolarHBondContact O-N 2.79Å; A121-E123 VanDerWaalsContact O-N 3.15Å
122N84.8Confident81.4Confident58 Ų5868 Ų6831%0.3136%0.359SS..  trans-81.295.4-179.4-168.1-32.1000111.5E118 M119 Q120 E124 L125E118-N122 PolarHBondContact O-N 3.35Å; M119-N122 WeakPolarHBondContact O-CB 3.28Å; M119-N122 PolarHBondContact O-N 2.61Å; M119-N122 VanDerWaalsContact O-N 3.14Å; Q120-N122 PolarHBondContact O-N 2.82Å; N122-E124 PolarHBondContact O-N 3.28Å; N122-E124 WeakPolarHBondContact OD1-CA 3.4Å; N122-E124 VanDerWaalsContact OD1-CB 3.31Å; N122-E124 WeakPolarHBondContact OD1-CB 3.49Å; N122-E124 PolarHBondContact OD1-N 3.32Å; N122-L125 HydrophobicContact CB-CB 4.31Å; N122-L125 HydrophobicContact CB-CD1 3.94Å; N122-L125 HydrophobicContact CB-CG 4.05Å; N122-L125 PolarHBondContact O-N 2.85Å; N122-L125 VanDerWaalsContact O-N 3.12Å; N122-L125 PolarHBondContact OD1-N 3.41Å
123E87.5Confident81.5Confident123 Ų12369.7 Ų69.758%0.57537%0.365SS*.THydrogen-bonded Turntrans-61.7-22.6177.4-63.6-61.4159.800113.6A121 L125 K126 P127A121-E123 PolarHBondContact O-N 2.79Å; A121-E123 VanDerWaalsContact O-N 3.15Å; E123-L125 VanDerWaalsContact C-N 3.35Å; E123-K126 IonicContact OE1-NZ 3.06Å; E123-K126 PolarHBondContact OE1-NZ 3Å; E123-K126 VanDerWaalsContact OE2-CD 3.31Å; E123-K126 WeakPolarHBondContact OE2-CD 3.47Å; E123-K126 WeakPolarHBondContact OE2-CE 3.22Å; E123-K126 IonicContact OE2-NZ 2.62Å; E123-K126 PolarHBondContact OE2-NZ 2.84Å; E123-P127 WeakPolarHBondContact O-CD 3.36Å
124E86.8Confident81.2Confident156 Ų15668.3 Ų68.373%0.72936%0.362SS*.THydrogen-bonded Turntrans-75.5-24177-55.5-174.3166.100112.5N122N122-E124 PolarHBondContact O-N 3.28Å; N122-E124 WeakPolarHBondContact OD1-CA 3.4Å; N122-E124 VanDerWaalsContact OD1-CB 3.31Å; N122-E124 WeakPolarHBondContact OD1-CB 3.49Å; N122-E124 PolarHBondContact OD1-N 3.32Å
125L84Confident81Confident8 Ų864.4 Ų64.44%0.04235%0.349CS..THydrogen-bonded Turntrans-83.1-29.5178.9-68.1-178.9000112.9F102 M119 N122 E123 K128 M129 F136F102-L125 HydrophobicContact CE1-CB 4.4Å; F102-L125 HydrophobicContact CZ-CB 3.83Å; M119-L125 HydrophobicContact CG-CD1 3.86Å; N122-L125 HydrophobicContact CB-CB 4.31Å; N122-L125 HydrophobicContact CB-CD1 3.94Å; N122-L125 HydrophobicContact CB-CG 4.05Å; N122-L125 PolarHBondContact O-N 2.85Å; N122-L125 VanDerWaalsContact O-N 3.12Å; N122-L125 PolarHBondContact OD1-N 3.41Å; E123-L125 VanDerWaalsContact C-N 3.35Å; L125-K128 HydrophobicContact CD2-CD 4.2Å; L125-K128 WeakPolarHBondContact O-CB 3.27Å; L125-K128 PolarHBondContact O-N 2.92Å; L125-M129 PolarHBondContact O-N 2.86Å; L125-F136 HydrophobicContact CB-CE2 4.19Å
126K85.4Confident81Confident84 Ų8463.2 Ų63.237%0.36534%0.343SS..G310 helixtrans-56.1-46.3-178.3-66.6-179.1-169.6166.30113.6F102 Q120 E123 K128 M129F102-K126 HydrophobicContact CD1-CD 4.46Å; F102-K126 HydrophobicContact CD1-CG 3.63Å; F102-K126 HydrophobicContact CE1-CB 4.43Å; F102-K126 HydrophobicContact CE1-CG 3.49Å; F102-K126 VanDerWaalsContact CE1-CG 3.49Å; F102-K126 HydrophobicContact CG-CG 4.3Å; F102-K126 HydrophobicContact CZ-CG 4.07Å; Q120-K126 VanDerWaalsContact O-CE 3.3Å; Q120-K126 WeakPolarHBondContact O-CE 3.22Å; E123-K126 IonicContact OE1-NZ 3.06Å; E123-K126 PolarHBondContact OE1-NZ 3Å; E123-K126 VanDerWaalsContact OE2-CD 3.31Å; E123-K126 WeakPolarHBondContact OE2-CD 3.47Å; E123-K126 WeakPolarHBondContact OE2-CE 3.22Å; E123-K126 IonicContact OE2-NZ 2.62Å; E123-K126 PolarHBondContact OE2-NZ 2.84Å; K126-K128 PolarHBondContact O-N 2.85Å; K126-M129 WeakPolarHBondContact O-CB 3.28Å; K126-M129 PolarHBondContact O-N 3.48Å
127P87.4Confident80.7Confident76 Ų7664.5 Ų64.549%0.49435%0.348SS..G310 helixtrans-61.1-29.9176.9-2333.9000112.9E123 M129 K130E123-P127 WeakPolarHBondContact O-CD 3.36Å; P127-M129 VanDerWaalsContact C-N 3.26Å; P127-M129 PolarHBondContact O-N 3.46Å; P127-K130 WeakPolarHBondContact O-CB 3.38Å; P127-K130 WeakPolarHBondContact O-CG 3.3Å; P127-K130 PolarHBondContact O-N 2.9Å
128K83.8Confident80.1Confident63 Ų6364.1 Ų64.127%0.27435%0.347SS..G310 helixtrans-72.2-20.6-177.6-53.1-166.4-175.7179.50112.7L125 K126 K130 F136 E141L125-K128 HydrophobicContact CD2-CD 4.2Å; L125-K128 WeakPolarHBondContact O-CB 3.27Å; L125-K128 PolarHBondContact O-N 2.92Å; K126-K128 PolarHBondContact O-N 2.85Å; K128-K130 PolarHBondContact O-N 3.29Å; K128-F136 HydrophobicContact CB-CD2 4.32Å; K128-E141 IonicContact NZ-OE1 3.23Å; K128-E141 PolarHBondContact NZ-OE1 3.4Å; K128-E141 IonicContact NZ-OE2 3.91Å; K128-E141 PolarHBondContact NZ-OE2 3.49Å
129M82.6Confident79.6Confident29 Ų2961.1 Ų61.114%0.14333%0.333CS..G310 helixtrans-66.7-20.4172.2-171.453.766.200113.2P101 F102 L125 K126 P127 G131 G132 F136P101-M129 HydrophobicContact CG-CE 3.27Å; F102-M129 HydrophobicContact CD2-CB 4.27Å; F102-M129 HydrophobicContact CD2-CE 3.94Å; F102-M129 HydrophobicContact CD2-CG 4.32Å; F102-M129 HydrophobicContact CE2-CB 3.98Å; F102-M129 HydrophobicContact CE2-CE 3.66Å; F102-M129 HydrophobicContact CE2-CG 4.41Å; L125-M129 PolarHBondContact O-N 2.86Å; K126-M129 WeakPolarHBondContact O-CB 3.28Å; K126-M129 PolarHBondContact O-N 3.48Å; P127-M129 VanDerWaalsContact C-N 3.26Å; P127-M129 PolarHBondContact O-N 3.46Å; M129-G131 PolarHBondContact O-N 3.3Å; M129-G131 VanDerWaalsContact O-N 3.07Å; M129-G132 WeakPolarHBondContact O-CA 3.33Å; M129-G132 PolarHBondContact O-N 3.48Å; M129-F136 HydrophobicContact CB-CD2 4.38Å; M129-F136 HydrophobicContact CE-CB 3.84Å; M129-F136 HydrophobicContact CE-CD1 3.34Å; M129-F136 HydrophobicContact CE-CD2 3.53Å; M129-F136 HydrophobicContact CE-CE1 3.63Å; M129-F136 HydrophobicContact CE-CE2 3.78Å; M129-F136 HydrophobicContact CE-CG 3.28Å; M129-F136 HydrophobicContact CE-CZ 3.81Å; M129-F136 HydrophobicContact SD-CB 4.02Å; M129-F136 HydrophobicContact SD-CD2 4.42Å; M129-F136 HydrophobicContact SD-CG 4.1Å
130K85.1Confident79.2Confident190 Ų19067.3 Ų67.383%0.82636%0.361SS*.G310 helixtrans-60.5-21.4179.5-67.3-177.71781800113.4P127 K128 G132P127-K130 WeakPolarHBondContact O-CB 3.38Å; P127-K130 WeakPolarHBondContact O-CG 3.3Å; P127-K130 PolarHBondContact O-N 2.9Å; K128-K130 PolarHBondContact O-N 3.29Å; K130-G132 PolarHBondContact O-N 2.89Å
131G80.8Confident78.5Confident55 Ų5569.7 Ų69.757%0.56737%0.372SS*.G310 helixtrans-78.11.6172.200000114.6M129 S135M129-G131 PolarHBondContact O-N 3.3Å; M129-G131 VanDerWaalsContact O-N 3.07Å; G131-S135 WeakPolarHBondContact CA-OG 3.21Å; G131-S135 PolarHBondContact O-OG 3.16Å
132G80.6Confident77.5Confident31 Ų3166.3 Ų66.332%0.3234%0.344SS..  trans83.3157.2-175.300000113.8M129 K130 T134 S135 F136M129-G132 WeakPolarHBondContact O-CA 3.33Å; M129-G132 PolarHBondContact O-N 3.48Å; K130-G132 PolarHBondContact O-N 2.89Å; G132-T134 PolarHBondContact O-N 2.87Å; G132-T134 VanDerWaalsContact O-N 3.1Å; G132-S135 PolarHBondContact O-N 3.28Å; G132-S135 VanDerWaalsContact O-N 3.12Å; G132-S135 PolarHBondContact O-OG 2.92Å; G132-F136 PolarHBondContact O-N 3.43Å
133Y71.7Confident76.4Confident50 Ų5070 Ų7020%0.19635%0.354CS..Hα-helixtrans-52.1-38.3-175.368.7-91.6000113.7I23 L99 S135 F136 W137I23-Y133 HydrophobicContact CB-CE2 4.49Å; I23-Y133 HydrophobicContact CD1-CD2 4.34Å; I23-Y133 HydrophobicContact CD1-CE2 3.91Å; L99-Y133 HydrophobicContact CD2-CD1 4.28Å; L99-Y133 HydrophobicContact CD2-CE1 4.29Å; Y133-S135 PolarHBondContact O-N 3.36Å; Y133-F136 WeakPolarHBondContact O-CB 3.48Å; Y133-F136 PolarHBondContact O-N 3.43Å; Y133-W137 PolarHBondContact O-N 3.25Å
134T67.5Low75.1Confident40 Ų4070.3 Ų70.325%0.24536%0.355CS..Hα-helixtrans-63.9-45-177.8-54.70000111.5N21 G132 F136 L138N21-T134 PolarHBondContact ND2-OG1 3.49Å; N21-T134 VanDerWaalsContact ND2-OG1 3.07Å; G132-T134 PolarHBondContact O-N 2.87Å; G132-T134 VanDerWaalsContact O-N 3.1Å; T134-F136 VanDerWaalsContact C-N 3.35Å; T134-L138 HydrophobicContact CG2-CD1 4.32Å; T134-L138 WeakPolarHBondContact O-CD1 3.28Å; T134-L138 VanDerWaalsContact O-CG 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.46Å; T134-L138 PolarHBondContact O-N 3.07Å
135S74.8Confident73.9Confident47 Ų4766.1 Ų66.133%0.32934%0.337SS..Hα-helixtrans-73-33178.666.40000111.4G131 G132 Y133 L138 Q139G131-S135 WeakPolarHBondContact CA-OG 3.21Å; G131-S135 PolarHBondContact O-OG 3.16Å; G132-S135 PolarHBondContact O-N 3.28Å; G132-S135 VanDerWaalsContact O-N 3.12Å; G132-S135 PolarHBondContact O-OG 2.92Å; Y133-S135 PolarHBondContact O-N 3.36Å; S135-L138 PolarHBondContact O-N 2.95Å; S135-Q139 WeakPolarHBondContact O-CG 3.49Å; S135-Q139 PolarHBondContact O-NE2 2.73Å
136F74.2Confident72.4Confident0 Ų073.5 Ų73.50%037%0.372CS..Hα-helixtrans-57-59.5174.3-177.7-100.6000111.4P101 F102 M119 L125 K128 M129 G132 Y133 T134 L138 Q139 I142P101-F136 HydrophobicContact CG-CD1 4.12Å; P101-F136 HydrophobicContact CG-CE1 3.54Å; P101-F136 HydrophobicContact CG-CZ 4.04Å; F102-F136 AromaticContact CE2-CE2 3.81Å; F102-F136 HydrophobicContact CE2-CE2 3.81Å; F102-F136 AromaticContact CE2-CZ 3.77Å; F102-F136 HydrophobicContact CE2-CZ 3.77Å; F102-F136 AromaticContact CZ-CE2 3.98Å; F102-F136 HydrophobicContact CZ-CE2 3.98Å; F102-F136 AromaticContact CZ-CZ 3.88Å; F102-F136 HydrophobicContact CZ-CZ 3.88Å; M119-F136 HydrophobicContact CG-CZ 4.29Å; M119-F136 HydrophobicContact SD-CE1 3.63Å; M119-F136 HydrophobicContact SD-CZ 3.58Å; M119-F136 VanDerWaalsContact SD-CZ 3.58Å; L125-F136 HydrophobicContact CB-CE2 4.19Å; K128-F136 HydrophobicContact CB-CD2 4.32Å; M129-F136 HydrophobicContact CB-CD2 4.38Å; M129-F136 HydrophobicContact CE-CB 3.84Å; M129-F136 HydrophobicContact CE-CD1 3.34Å; M129-F136 HydrophobicContact CE-CD2 3.53Å; M129-F136 HydrophobicContact CE-CE1 3.63Å; M129-F136 HydrophobicContact CE-CE2 3.78Å; M129-F136 HydrophobicContact CE-CG 3.28Å; M129-F136 HydrophobicContact CE-CZ 3.81Å; M129-F136 HydrophobicContact SD-CB 4.02Å; M129-F136 HydrophobicContact SD-CD2 4.42Å; M129-F136 HydrophobicContact SD-CG 4.1Å; G132-F136 PolarHBondContact O-N 3.43Å; Y133-F136 WeakPolarHBondContact O-CB 3.48Å; Y133-F136 PolarHBondContact O-N 3.43Å; T134-F136 VanDerWaalsContact C-N 3.35Å; F136-L138 PolarHBondContact O-N 3.07Å; F136-Q139 WeakPolarHBondContact O-CB 3.31Å; F136-Q139 PolarHBondContact O-N 3.12Å; F136-I142 HydrophobicContact CD1-CD1 3.59Å; F136-I142 HydrophobicContact CD2-CD1 3.74Å; F136-I142 HydrophobicContact CE1-CD1 3.42Å; F136-I142 VanDerWaalsContact CE1-CD1 3.42Å; F136-I142 HydrophobicContact CE1-CG1 4.44Å; F136-I142 HydrophobicContact CE2-CD1 3.61Å; F136-I142 HydrophobicContact CG-CD1 3.75Å; F136-I142 HydrophobicContact CZ-CD1 3.45Å; F136-I142 VanDerWaalsContact CZ-CD1 3.45Å; F136-I142 HydrophobicContact CZ-CG1 4.42Å; F136-I142 WeakPolarHBondContact O-CD1 3.45Å
137W68.2Low70.9Confident27 Ų2774.4 Ų74.410%0.10237%0.373CS..Hα-helixtrans-64.6-16.3-177.1-63.3118.7000114.6W97 V98 P101 M119 Y133 I142 L148 V151W97-W137 HydrophobicContact CE3-CH2 4.14Å; W97-W137 HydrophobicContact CE3-CZ2 4.19Å; W97-W137 AromaticContact CZ3-CH2 3.84Å; W97-W137 HydrophobicContact CZ3-CH2 3.84Å; W97-W137 HydrophobicContact CZ3-CZ2 4.08Å; V98-W137 PolarHBondContact O-NE1 2.84Å; P101-W137 HydrophobicContact CB-CH2 4.09Å; P101-W137 HydrophobicContact CB-CZ2 4.03Å; P101-W137 HydrophobicContact CG-CH2 4.19Å; P101-W137 HydrophobicContact CG-CZ2 3.83Å; M119-W137 HydrophobicContact CE-CH2 3.92Å; M119-W137 HydrophobicContact CE-CZ3 4.43Å; M119-W137 HydrophobicContact SD-CH2 4.23Å; M119-W137 HydrophobicContact SD-CZ3 4.34Å; Y133-W137 PolarHBondContact O-N 3.25Å; W137-I142 HydrophobicContact CE3-CG2 3.77Å; W137-I142 HydrophobicContact CZ3-CG2 4.2Å; W137-L148 HydrophobicContact CZ3-CD1 4.27Å; W137-V151 HydrophobicContact CE3-CG1 4.44Å; W137-V151 HydrophobicContact CH2-CG1 4.45Å; W137-V151 HydrophobicContact CZ3-CG1 4.16Å
138L68.6Low69.5Low85 Ų8571 Ų7145%0.44535%0.35SS..THydrogen-bonded Turntrans-84.7-10.2176.9-72.6173.6000114.1T134 S135 F136 R143T134-L138 HydrophobicContact CG2-CD1 4.32Å; T134-L138 WeakPolarHBondContact O-CD1 3.28Å; T134-L138 VanDerWaalsContact O-CG 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.46Å; T134-L138 PolarHBondContact O-N 3.07Å; S135-L138 PolarHBondContact O-N 2.95Å; F136-L138 PolarHBondContact O-N 3.07Å; L138-R143 PolarHBondContact O-NE 3.41Å
139Q69.6Low68.1Low38 Ų3872.5 Ų72.518%0.17836%0.361CS..SBendtrans-67143.5-176.6-72.3164.227.500112.7S135 F136 E141 I142 R143S135-Q139 WeakPolarHBondContact O-CG 3.49Å; S135-Q139 PolarHBondContact O-NE2 2.73Å; F136-Q139 WeakPolarHBondContact O-CB 3.31Å; F136-Q139 PolarHBondContact O-N 3.12Å; Q139-E141 VanDerWaalsContact C-N 3.28Å; Q139-E141 PolarHBondContact O-N 2.98Å; Q139-I142 HydrophobicContact CB-CD1 4.29Å; Q139-I142 PolarHBondContact O-N 2.88Å; Q139-I142 VanDerWaalsContact O-N 3.17Å; Q139-R143 WeakPolarHBondContact O-CG 3.15Å; Q139-R143 PolarHBondContact O-N 3.31Å
140Q71Confident66.5Low133 Ų13375.1 Ų75.162%0.62138%0.376SS*.Hα-helixtrans-62.3-36.9-176.2-170.1175.313.100111.9I142 R143 Q144Q140-I142 VanDerWaalsContact C-N 3.3Å; Q140-I142 PolarHBondContact O-N 2.91Å; Q140-R143 CarbonylContact O-C 3.42Å; Q140-R143 WeakPolarHBondContact O-CA 3.3Å; Q140-R143 WeakPolarHBondContact O-CB 3.31Å; Q140-R143 PolarHBondContact O-N 3.24Å; Q140-R143 VanDerWaalsContact O-N 3.15Å; Q140-Q144 VanDerWaalsContact O-CG 3.32Å; Q140-Q144 WeakPolarHBondContact O-CG 3.31Å; Q140-Q144 PolarHBondContact O-N 2.85Å
141E68.2Low64.8Low96 Ų9666.8 Ų66.845%0.44934%0.341SS..Hα-helixtrans-64.6-37.6179.1-56.892.114700111.2K128 Q139 Q144 L145K128-E141 IonicContact NZ-OE1 3.23Å; K128-E141 PolarHBondContact NZ-OE1 3.4Å; K128-E141 IonicContact NZ-OE2 3.91Å; K128-E141 PolarHBondContact NZ-OE2 3.49Å; Q139-E141 VanDerWaalsContact C-N 3.28Å; Q139-E141 PolarHBondContact O-N 2.98Å; E141-Q144 PolarHBondContact O-N 3.07Å; E141-L145 PolarHBondContact O-N 3.46Å
142I65.6Low63.4Low3 Ų366.5 Ų66.52%0.01532%0.324CS..Hα-helixtrans-71.7-37.1174-70.3161000110.8F136 W137 Q139 Q140 Q144 L145 L148 K152F136-I142 HydrophobicContact CD1-CD1 3.59Å; F136-I142 HydrophobicContact CD2-CD1 3.74Å; F136-I142 HydrophobicContact CE1-CD1 3.42Å; F136-I142 VanDerWaalsContact CE1-CD1 3.42Å; F136-I142 HydrophobicContact CE1-CG1 4.44Å; F136-I142 HydrophobicContact CE2-CD1 3.61Å; F136-I142 HydrophobicContact CG-CD1 3.75Å; F136-I142 HydrophobicContact CZ-CD1 3.45Å; F136-I142 VanDerWaalsContact CZ-CD1 3.45Å; F136-I142 HydrophobicContact CZ-CG1 4.42Å; F136-I142 WeakPolarHBondContact O-CD1 3.45Å; W137-I142 HydrophobicContact CE3-CG2 3.77Å; W137-I142 HydrophobicContact CZ3-CG2 4.2Å; Q139-I142 HydrophobicContact CB-CD1 4.29Å; Q139-I142 PolarHBondContact O-N 2.88Å; Q139-I142 VanDerWaalsContact O-N 3.17Å; Q140-I142 VanDerWaalsContact C-N 3.3Å; Q140-I142 PolarHBondContact O-N 2.91Å; I142-Q144 PolarHBondContact O-N 3.21Å; I142-L145 PolarHBondContact O-N 3.34Å; I142-L148 HydrophobicContact CG2-CD1 4.07Å; I142-K152 WeakPolarHBondContact O-CE 3.47Å; I142-K152 PolarHBondContact O-NZ 2.98Å
143R60.5Low62Low137 Ų13767.4 Ų67.452%0.51733%0.326SS..Hα-helixtrans-62.8-25171-69.5-176.2-180-161.7-1.7113.1L138 Q139 Q140 K152L138-R143 PolarHBondContact O-NE 3.41Å; Q139-R143 WeakPolarHBondContact O-CG 3.15Å; Q139-R143 PolarHBondContact O-N 3.31Å; Q140-R143 CarbonylContact O-C 3.42Å; Q140-R143 WeakPolarHBondContact O-CA 3.3Å; Q140-R143 WeakPolarHBondContact O-CB 3.31Å; Q140-R143 PolarHBondContact O-N 3.24Å; Q140-R143 VanDerWaalsContact O-N 3.15Å; R143-K152 VanDerWaalsContact C-NZ 3.28Å; R143-K152 WeakPolarHBondContact O-CE 3.45Å; R143-K152 PolarHBondContact O-NZ 2.83Å
144Q61.5Low60.9Low128 Ų12870.9 Ų70.960%0.59834%0.338SS*.Hα-helixtrans-91.1-12.8179.4-73.9178.86.100114.3Q140 E141 I142 E146Q140-Q144 VanDerWaalsContact O-CG 3.32Å; Q140-Q144 WeakPolarHBondContact O-CG 3.31Å; Q140-Q144 PolarHBondContact O-N 2.85Å; E141-Q144 PolarHBondContact O-N 3.07Å; I142-Q144 PolarHBondContact O-N 3.21Å; Q144-E146 VanDerWaalsContact C-N 3.34Å; Q144-E146 PolarHBondContact O-N 2.78Å
145L60.4Low60Low68 Ų6871.4 Ų71.436%0.35634%0.338SS..  trans-65.395.1170.1-68.7172.2000108.4E141 I142 R147 L148 K152E141-L145 PolarHBondContact O-N 3.46Å; I142-L145 PolarHBondContact O-N 3.34Å; L145-R147 PolarHBondContact O-N 3.43Å; L145-L148 HydrophobicContact CB-CB 4.44Å; L145-L148 HydrophobicContact CB-CD1 3.91Å; L145-L148 HydrophobicContact CB-CG 4.22Å; L145-L148 HydrophobicContact CD1-CD1 3.57Å; L145-L148 HydrophobicContact CD1-CG 4.49Å; L145-L148 HydrophobicContact CG-CD1 4.38Å; L145-L148 PolarHBondContact O-N 3.19Å; L145-L148 VanDerWaalsContact O-N 3.16Å; L145-K152 PolarHBondContact O-NZ 2.85Å
146E52.6Low58.7Low163 Ų16373.2 Ų73.276%0.76234%0.343SS*.G310 helixtrans-55.5-25.7-176.8-68-173.3158.800112.6Q144 N149Q144-E146 VanDerWaalsContact C-N 3.34Å; Q144-E146 PolarHBondContact O-N 2.78Å; E146-N149 PolarHBondContact O-ND2 3.38Å
147R55Low57.3Low103 Ų10378.9 Ų78.939%0.38937%0.369SS..G310 helixtrans-73.4-36.5-177.6-55-177.665.61703.8112.3E114 E115 E118 L145 N149E114-R147 IonicContact OE2-CZ 3.9Å; E114-R147 IonicContact OE2-NH2 2.71Å; E114-R147 PolarHBondContact OE2-NH2 2.7Å; E115-R147 VanDerWaalsContact CD-CB 3.47Å; E115-R147 HydrophobicContact CG-CB 3.61Å; E115-R147 VanDerWaalsContact OE1-CB 3.29Å; E115-R147 WeakPolarHBondContact OE1-CB 3.43Å; E115-R147 VanDerWaalsContact OE2-O 3.08Å; E118-R147 IonicContact OE1-CZ 3.81Å; E118-R147 IonicContact OE1-NH1 2.67Å; E118-R147 PolarHBondContact OE1-NH1 2.86Å; E118-R147 IonicContact OE2-CZ 3.81Å; E118-R147 IonicContact OE2-NH1 3.07Å; E118-R147 PolarHBondContact OE2-NH1 2.86Å; E118-R147 VanDerWaalsContact OE2-NH1 3.07Å; L145-R147 PolarHBondContact O-N 3.43Å; R147-N149 PolarHBondContact O-N 2.99Å
148L56.5Low56Low4 Ų479.3 Ų79.32%0.02137%0.373CS..G310 helixtrans-71.518.1178.2-68.8172.5000114.9E115 W137 I142 L145 D150 V151 K152E115-L148 HydrophobicContact CB-CD2 4.05Å; E115-L148 WeakPolarHBondContact OE2-CA 3.28Å; E115-L148 WeakPolarHBondContact OE2-CD2 3.18Å; E115-L148 PolarHBondContact OE2-N 3.49Å; W137-L148 HydrophobicContact CZ3-CD1 4.27Å; I142-L148 HydrophobicContact CG2-CD1 4.07Å; L145-L148 HydrophobicContact CB-CB 4.44Å; L145-L148 HydrophobicContact CB-CD1 3.91Å; L145-L148 HydrophobicContact CB-CG 4.22Å; L145-L148 HydrophobicContact CD1-CD1 3.57Å; L145-L148 HydrophobicContact CD1-CG 4.49Å; L145-L148 HydrophobicContact CG-CD1 4.38Å; L145-L148 PolarHBondContact O-N 3.19Å; L145-L148 VanDerWaalsContact O-N 3.16Å; L148-D150 PolarHBondContact O-N 3.35Å; L148-V151 HydrophobicContact CB-CB 4.41Å; L148-V151 HydrophobicContact CD2-CB 4.28Å; L148-V151 HydrophobicContact CD2-CG2 3.75Å; L148-V151 PolarHBondContact O-N 3.05Å; L148-V151 VanDerWaalsContact O-N 3.11Å; L148-K152 WeakPolarHBondContact O-CG 3.26Å; L148-K152 PolarHBondContact O-N 2.74Å
149N54.4Low54.7Low95 Ų9577.9 Ų77.951%0.50837%0.366SS..Hα-helixtrans-60.2-31.7-178.5-82.9-15.5000112.9E146 R147 K152 S153E146-N149 PolarHBondContact O-ND2 3.38Å; R147-N149 PolarHBondContact O-N 2.99Å; N149-K152 PolarHBondContact O-N 3.37Å; N149-S153 VanDerWaalsContact O-CB 3.26Å; N149-S153 WeakPolarHBondContact O-CB 3.47Å; N149-S153 PolarHBondContact O-N 3.01Å; N149-S153 PolarHBondContact O-OG 3.22Å
150D49.9Very low53.3Low84 Ų8478.8 Ų78.845%0.44937%0.371SS..Hα-helixtrans-73.9-31.6176.4-72.5-23.3000112.9Y112 L148 S153 R154Y112-D150 HydrophobicContact CE1-CB 3.65Å; L148-D150 PolarHBondContact O-N 3.35Å; D150-S153 WeakPolarHBondContact CA-OG 3.41Å; D150-S153 PolarHBondContact O-OG 2.99Å; D150-R154 PolarHBondContact O-N 3.23Å
151V49.7Very low51.8Low16 Ų1675.2 Ų75.210%0.09735%0.354CS..Hα-helixtrans-70.9-41.6172.5-178.10000110.1W97 Y112 W137 L148 R154 Q155W97-V151 HydrophobicContact CH2-CB 4.11Å; W97-V151 HydrophobicContact CH2-CG1 3.64Å; W97-V151 HydrophobicContact CH2-CG2 3.44Å; W97-V151 VanDerWaalsContact CH2-CG2 3.44Å; W97-V151 HydrophobicContact CZ2-CG2 4.47Å; W97-V151 HydrophobicContact CZ3-CB 4.45Å; W97-V151 HydrophobicContact CZ3-CG1 3.73Å; W97-V151 HydrophobicContact CZ3-CG2 3.87Å; Y112-V151 HydrophobicContact CD1-CG2 4.09Å; Y112-V151 HydrophobicContact CE1-CG2 4.3Å; W137-V151 HydrophobicContact CE3-CG1 4.44Å; W137-V151 HydrophobicContact CH2-CG1 4.45Å; W137-V151 HydrophobicContact CZ3-CG1 4.16Å; L148-V151 HydrophobicContact CB-CB 4.41Å; L148-V151 HydrophobicContact CD2-CB 4.28Å; L148-V151 HydrophobicContact CD2-CG2 3.75Å; L148-V151 PolarHBondContact O-N 3.05Å; L148-V151 VanDerWaalsContact O-N 3.11Å; V151-R154 PolarHBondContact O-N 3.04Å; V151-Q155 PolarHBondContact O-N 2.64Å
152K51.3Low50.2Low48 Ų4871.4 Ų71.421%0.20934%0.339CS..Hα-helixtrans-69.2-34.8175.7-68.6175.2-150.5158.20112.7I142 R143 L145 L148 N149 R154 Q155 M156I142-K152 WeakPolarHBondContact O-CE 3.47Å; I142-K152 PolarHBondContact O-NZ 2.98Å; R143-K152 VanDerWaalsContact C-NZ 3.28Å; R143-K152 WeakPolarHBondContact O-CE 3.45Å; R143-K152 PolarHBondContact O-NZ 2.83Å; L145-K152 PolarHBondContact O-NZ 2.85Å; L148-K152 WeakPolarHBondContact O-CG 3.26Å; L148-K152 PolarHBondContact O-N 2.74Å; N149-K152 PolarHBondContact O-N 3.37Å; K152-R154 VanDerWaalsContact C-N 3.31Å; K152-Q155 CarbonylContact O-C 3.46Å; K152-Q155 WeakPolarHBondContact O-CA 3.33Å; K152-Q155 PolarHBondContact O-N 2.78Å; K152-Q155 VanDerWaalsContact O-N 3.09Å; K152-M156 WeakPolarHBondContact O-CB 3.44Å; K152-M156 PolarHBondContact O-N 3.41Å
153S49.7Very low49.2Very low51 Ų5174.3 Ų74.336%0.35735%0.354SS..Hα-helixtrans-65.8-39.4178.2720000110.3N149 D150 Q157N149-S153 VanDerWaalsContact O-CB 3.26Å; N149-S153 WeakPolarHBondContact O-CB 3.47Å; N149-S153 PolarHBondContact O-N 3.01Å; N149-S153 PolarHBondContact O-OG 3.22Å; D150-S153 WeakPolarHBondContact CA-OG 3.41Å; D150-S153 PolarHBondContact O-OG 2.99Å; S153-Q157 VanDerWaalsContact O-CG 3.29Å; S153-Q157 WeakPolarHBondContact O-CG 3.11Å; S153-Q157 PolarHBondContact O-N 3.28Å
154R50.3Low48.2Very low122 Ų12269.3 Ų69.346%0.4634%0.339SS..Hα-helixtrans-58.1-58.6164.6-66.6-170.3-167.1-149.911.7108.7E109 Y112 D150 V151 K152 M156 Q157 L158E109-R154 IonicContact OE1-NH2 3.73Å; E109-R154 IonicContact OE2-NH2 3.99Å; Y112-R154 PolarHBondContact OH-NH2 3.19Å; D150-R154 PolarHBondContact O-N 3.23Å; V151-R154 PolarHBondContact O-N 3.04Å; K152-R154 VanDerWaalsContact C-N 3.31Å; R154-M156 VanDerWaalsContact C-N 3.28Å; R154-M156 PolarHBondContact O-N 3.43Å; R154-M156 VanDerWaalsContact O-N 3.12Å; R154-Q157 CarbonylContact O-C 3.46Å; R154-Q157 WeakPolarHBondContact O-CA 3.24Å; R154-Q157 WeakPolarHBondContact O-CB 3.47Å; R154-Q157 PolarHBondContact O-N 3.48Å; R154-L158 WeakPolarHBondContact O-CG 3.19Å; R154-L158 PolarHBondContact O-N 3.49Å
155Q47.6Very low47.3Very low51 Ų5166 Ų6624%0.23832%0.323CS..Hα-helixtrans-55.3-33.9-177.4-168.758.957.200115.1V151 K152 L158 N159V151-Q155 PolarHBondContact O-N 2.64Å; K152-Q155 CarbonylContact O-C 3.46Å; K152-Q155 WeakPolarHBondContact O-CA 3.33Å; K152-Q155 PolarHBondContact O-N 2.78Å; K152-Q155 VanDerWaalsContact O-N 3.09Å; Q155-L158 CarbonylContact O-C 3.55Å; Q155-L158 WeakPolarHBondContact O-CA 3.36Å; Q155-L158 VanDerWaalsContact O-CB 3.31Å; Q155-L158 WeakPolarHBondContact O-CB 3.38Å; Q155-L158 PolarHBondContact O-N 3.29Å; Q155-N159 PolarHBondContact NE2-OD1 3.11Å; Q155-N159 WeakPolarHBondContact O-CB 3.49Å; Q155-N159 PolarHBondContact O-N 2.93Å; Q155-N159 PolarHBondContact O-OD1 3.3Å
156M47.6Very low46.6Very low86 Ų8668.4 Ų68.442%0.42434%0.336SS..Hα-helixtrans-74-42.1177.4-171.8134.97800111.3K152 R154 L158 N159 I160 D171K152-M156 WeakPolarHBondContact O-CB 3.44Å; K152-M156 PolarHBondContact O-N 3.41Å; R154-M156 VanDerWaalsContact C-N 3.28Å; R154-M156 PolarHBondContact O-N 3.43Å; R154-M156 VanDerWaalsContact O-N 3.12Å; M156-L158 VanDerWaalsContact C-N 3.27Å; M156-L158 PolarHBondContact O-N 3.44Å; M156-N159 PolarHBondContact O-N 2.82Å; M156-I160 HydrophobicContact CG-CD1 4.4Å; M156-I160 WeakPolarHBondContact O-CG1 3.47Å; M156-I160 PolarHBondContact O-N 3.36Å; M156-D171 HydrophobicContact SD-CB 4.08Å
157Q44.4Very low46.5Very low118 Ų11861.3 Ų61.355%0.55130%0.304SS*.Hα-helixtrans-56-47.5165.1-67.1177.64.700109S153 R154 N159 I160 F161S153-Q157 VanDerWaalsContact O-CG 3.29Å; S153-Q157 WeakPolarHBondContact O-CG 3.11Å; S153-Q157 PolarHBondContact O-N 3.28Å; R154-Q157 CarbonylContact O-C 3.46Å; R154-Q157 WeakPolarHBondContact O-CA 3.24Å; R154-Q157 WeakPolarHBondContact O-CB 3.47Å; R154-Q157 PolarHBondContact O-N 3.48Å; Q157-N159 VanDerWaalsContact C-N 3.29Å; Q157-N159 PolarHBondContact O-N 2.94Å; Q157-I160 PolarHBondContact O-N 3.38Å; Q157-F161 HydrophobicContact CB-CD2 4.22Å; Q157-F161 HydrophobicContact CB-CE2 3.75Å; Q157-F161 WeakPolarHBondContact O-CB 3.46Å; Q157-F161 WeakPolarHBondContact O-CD2 3.41Å; Q157-F161 WeakPolarHBondContact O-CE2 3.14Å; Q157-F161 WeakPolarHBondContact O-CG 3.39Å; Q157-F161 PolarHBondContact O-N 2.71Å
158L41.7Very low46.5Very low36 Ų3663.1 Ų63.119%0.18832%0.316CS..Hα-helixtrans-57.8-31.5175.8-56.7-178.2000114L22 R154 Q155 M156 F161 A162L22-L158 HydrophobicContact CB-CD2 3.62Å; L22-L158 HydrophobicContact CB-CG 4.44Å; L22-L158 HydrophobicContact CD2-CD2 3.13Å; L22-L158 HydrophobicContact CG-CD2 3.97Å; R154-L158 WeakPolarHBondContact O-CG 3.19Å; R154-L158 PolarHBondContact O-N 3.49Å; Q155-L158 CarbonylContact O-C 3.55Å; Q155-L158 WeakPolarHBondContact O-CA 3.36Å; Q155-L158 VanDerWaalsContact O-CB 3.31Å; Q155-L158 WeakPolarHBondContact O-CB 3.38Å; Q155-L158 PolarHBondContact O-N 3.29Å; M156-L158 VanDerWaalsContact C-N 3.27Å; M156-L158 PolarHBondContact O-N 3.44Å; L158-F161 HydrophobicContact CD2-CD2 4.35Å; L158-F161 WeakPolarHBondContact O-CB 3.33Å; L158-A162 WeakPolarHBondContact O-CB 3.42Å; L158-A162 PolarHBondContact O-N 2.89Å; L158-A162 VanDerWaalsContact O-N 3.14Å
159N41.3Very low46.5Very low56 Ų5664.4 Ų64.430%0.29933%0.328SS..Hα-helixtrans-80.3-43.6178.3-71-11.1000111.7Q155 M156 Q157 F161 A162 I163Q155-N159 PolarHBondContact NE2-OD1 3.11Å; Q155-N159 WeakPolarHBondContact O-CB 3.49Å; Q155-N159 PolarHBondContact O-N 2.93Å; Q155-N159 PolarHBondContact O-OD1 3.3Å; M156-N159 PolarHBondContact O-N 2.82Å; Q157-N159 VanDerWaalsContact C-N 3.29Å; Q157-N159 PolarHBondContact O-N 2.94Å; N159-F161 PolarHBondContact O-N 2.92Å; N159-A162 PolarHBondContact O-N 3.16Å; N159-I163 PolarHBondContact O-N 3.47Å
160I40.5Very low46.8Very low57 Ų5763.8 Ų63.829%0.29234%0.336SS..Hα-helixtrans-58.8-36.5170.7-65.5167.4000109.8M156 Q157M156-I160 HydrophobicContact CG-CD1 4.4Å; M156-I160 WeakPolarHBondContact O-CG1 3.47Å; M156-I160 PolarHBondContact O-N 3.36Å; Q157-I160 PolarHBondContact O-N 3.38Å
161F38.6Very low47Very low57 Ų5763 Ų6325%0.2533%0.332CS..Hα-helixtrans-65.9-32172.4-72.5-59.7000113.5Q157 L158 N159 L214 R221Q157-F161 HydrophobicContact CB-CD2 4.22Å; Q157-F161 HydrophobicContact CB-CE2 3.75Å; Q157-F161 WeakPolarHBondContact O-CB 3.46Å; Q157-F161 WeakPolarHBondContact O-CD2 3.41Å; Q157-F161 WeakPolarHBondContact O-CE2 3.14Å; Q157-F161 WeakPolarHBondContact O-CG 3.39Å; Q157-F161 PolarHBondContact O-N 2.71Å; L158-F161 HydrophobicContact CD2-CD2 4.35Å; L158-F161 WeakPolarHBondContact O-CB 3.33Å; N159-F161 PolarHBondContact O-N 2.92Å; F161-L214 HydrophobicContact CD1-CD1 4.17Å; F161-L214 HydrophobicContact CE1-CD1 3.23Å; F161-L214 HydrophobicContact CZ-CD1 3.87Å; F161-R221 PolarHBondContact O-NH1 3.49Å; F161-R221 PolarHBondContact O-NH2 3.13Å
162A35Very low47.2Very low16 Ų1662.9 Ų62.913%0.13233%0.331CS..Hα-helixtrans-84.8-44.6-17500000112.6L20 L158 N159 R221L20-A162 VanDerWaalsContact O-CB 3.28Å; L20-A162 WeakPolarHBondContact O-CB 3.23Å; L158-A162 WeakPolarHBondContact O-CB 3.42Å; L158-A162 PolarHBondContact O-N 2.89Å; L158-A162 VanDerWaalsContact O-N 3.14Å; N159-A162 PolarHBondContact O-N 3.16Å; A162-R221 PolarHBondContact O-NH2 3.42Å
163I45.8Very low47.3Very low65 Ų6564.1 Ų64.133%0.33334%0.344SS..  trans-14674.6-169.2-17.7170.4000110.2N159 F165 N166 V167N159-I163 PolarHBondContact O-N 3.47Å; I163-F165 PolarHBondContact O-N 3.19Å; I163-N166 HydrophobicContact CB-CB 3.72Å; I163-N166 HydrophobicContact CD1-CB 4.22Å; I163-N166 HydrophobicContact CG2-CB 3.26Å; I163-N166 PolarHBondContact O-N 2.91Å; I163-V167 WeakPolarHBondContact O-CG2 3.42Å
164P39.3Very low47.8Very low31 Ų3167.9 Ų67.920%0.20136%0.36CS..THydrogen-bonded Turntrans-58.6-14.3-169.721.5-32.9000114.8T180P164-T180 WeakPolarHBondContact O-CG2 3.48Å
165F41.5Very low47.9Very low59 Ų5970 Ų7026%0.25938%0.375SS..THydrogen-bonded Turntrans-1217.4178-53.6-72.8000114.4I163 T180 P183 Q184 L198I163-F165 PolarHBondContact O-N 3.19Å; F165-T180 HydrophobicContact CD1-CG2 4.05Å; F165-P183 HydrophobicContact CD1-CB 4.16Å; F165-P183 HydrophobicContact CD1-CG 4.4Å; F165-P183 HydrophobicContact CE1-CB 4.26Å; F165-P183 HydrophobicContact CE1-CG 4.15Å; F165-Q184 WeakPolarHBondContact O-CG 3.45Å; F165-Q184 PolarHBondContact O-NE2 3.4Å; F165-L198 HydrophobicContact CE2-CD1 4.07Å; F165-L198 HydrophobicContact CZ-CD1 4.2Å; F165-L198 HydrophobicContact CZ-CD2 4.42Å; F165-L198 HydrophobicContact CZ-CG 4.34Å
166N46Very low48Very low119 Ų11969.9 Ų69.964%0.63638%0.376SS*.SBendtrans-11827.2172.5-158.928.2000111.4I163I163-N166 HydrophobicContact CB-CB 3.72Å; I163-N166 HydrophobicContact CD1-CB 4.22Å; I163-N166 HydrophobicContact CG2-CB 3.26Å; I163-N166 PolarHBondContact O-N 2.91Å
167V51.1Low48.5Very low14 Ų1468.4 Ų68.49%0.08537%0.368CS..SBendtrans-95.7136.1170.4177.90000106.9I163 A169 D171 V172 Q184I163-V167 WeakPolarHBondContact O-CG2 3.42Å; V167-A169 PolarHBondContact O-N 3Å; V167-D171 HydrophobicContact CG1-CB 3.61Å; V167-V172 HydrophobicContact CB-CG2 4.12Å; V167-V172 HydrophobicContact CG1-CG2 3.67Å; V167-Q184 PolarHBondContact O-NE2 3.27Å
168E55.2Low48.9Very low140 Ų14069.2 Ų69.265%0.65437%0.372SS*.  trans-56.5134.4173-73.3-173.8-175.900108.7A170 D171E168-A170 PolarHBondContact O-N 3.49Å; E168-D171 WeakPolarHBondContact O-CB 3.36Å; E168-D171 PolarHBondContact O-N 2.94Å
169A55.1Low49.3Very low31 Ų3171 Ų7126%0.25638%0.378SS..G310 helixtrans-55.8-27.5-176.400000112.5V167 D171 V172 Q177 I181V167-A169 PolarHBondContact O-N 3Å; A169-D171 VanDerWaalsContact C-N 3.28Å; A169-D171 PolarHBondContact O-N 3.08Å; A169-V172 PolarHBondContact O-N 3.36Å; A169-Q177 VanDerWaalsContact O-CG 3.29Å; A169-Q177 WeakPolarHBondContact O-CG 3.3Å; A169-Q177 PolarHBondContact O-NE2 2.88Å; A169-I181 HydrophobicContact CB-CD1 4.32Å; A169-I181 HydrophobicContact CB-CG1 4.14Å
170A60.5Low49.6Very low83 Ų8368.9 Ų68.969%0.68637%0.367SS*.G310 helixtrans-66.8-24.3175.900000114.3E168 V172E168-A170 PolarHBondContact O-N 3.49Å; A170-V172 VanDerWaalsContact C-N 3.32Å
171D55.4Low50.3Low66 Ų6670 Ų7035%0.35337%0.373SS..G310 helixtrans-89.3-2.1-178.9-66.4-28.3000112.5M156 V167 E168 A169M156-D171 HydrophobicContact SD-CB 4.08Å; V167-D171 HydrophobicContact CG1-CB 3.61Å; E168-D171 WeakPolarHBondContact O-CB 3.36Å; E168-D171 PolarHBondContact O-N 2.94Å; A169-D171 VanDerWaalsContact C-N 3.28Å; A169-D171 PolarHBondContact O-N 3.08Å
172V53.5Low50.8Low14 Ų1472.9 Ų72.99%0.08539%0.387CS..SBendtrans-100135.8-178.5176.90000108.9V167 A169 A170 D174 L176 Q177V167-V172 HydrophobicContact CB-CG2 4.12Å; V167-V172 HydrophobicContact CG1-CG2 3.67Å; A169-V172 PolarHBondContact O-N 3.36Å; A170-V172 VanDerWaalsContact C-N 3.32Å; V172-D174 PolarHBondContact O-N 2.77Å; V172-L176 HydrophobicContact CG1-CB 3.37Å; V172-L176 HydrophobicContact CG1-CD1 4.47Å; V172-Q177 HydrophobicContact CB-CG 4.3Å; V172-Q177 HydrophobicContact CG1-CG 4.47Å; V172-Q177 VanDerWaalsContact O-CG 3.31Å; V172-Q177 WeakPolarHBondContact O-CG 3.36Å; V172-Q177 PolarHBondContact O-NE2 3.11Å
173P52.7Low51.5Low74 Ų7472.8 Ų72.848%0.48139%0.385SS..  trans-49.5136.3174-27.333.9000111.7E175 L176 Q177P173-E175 PolarHBondContact O-N 3.24Å; P173-L176 WeakPolarHBondContact O-CA 3.21Å; P173-L176 WeakPolarHBondContact O-CB 3.22Å; P173-L176 PolarHBondContact O-N 3.47Å; P173-Q177 PolarHBondContact O-N 3.48Å
174D60.4Low51.6Low130 Ų13073.7 Ų73.770%0.69539%0.388SS*.Hα-helixtrans-46.8-39.1-170.8-67-15.3000114V172 L176 Q177V172-D174 PolarHBondContact O-N 2.77Å; D174-L176 PolarHBondContact O-N 3.44Å; D174-L176 VanDerWaalsContact O-N 3.11Å; D174-Q177 PolarHBondContact O-N 3.13Å; D174-Q177 PolarHBondContact OD1-NE2 3.38Å
175E53.8Low52.3Low166 Ų16676.7 Ų76.778%0.77641%0.41SS*.Hα-helixtrans-62.7-17.6179.3-56.8-179.6178.900114.8P173 K179P173-E175 PolarHBondContact O-N 3.24Å; E175-K179 PolarHBondContact O-NZ 3.24Å
176L49.5Very low52.8Low49 Ų4977 Ų7726%0.25741%0.414SS..Hα-helixtrans-109.5-19.4-176.3-62.4-175.9000112.7V172 P173 D174 H178 K179 T180 F201V172-L176 HydrophobicContact CG1-CB 3.37Å; V172-L176 HydrophobicContact CG1-CD1 4.47Å; P173-L176 WeakPolarHBondContact O-CA 3.21Å; P173-L176 WeakPolarHBondContact O-CB 3.22Å; P173-L176 PolarHBondContact O-N 3.47Å; D174-L176 PolarHBondContact O-N 3.44Å; D174-L176 VanDerWaalsContact O-N 3.11Å; L176-H178 VanDerWaalsContact C-N 3.35Å; L176-H178 PolarHBondContact O-N 3.12Å; L176-K179 HydrophobicContact CD2-CD 4.4Å; L176-K179 WeakPolarHBondContact O-CA 3.41Å; L176-K179 WeakPolarHBondContact O-CB 3.32Å; L176-K179 PolarHBondContact O-N 3.4Å; L176-T180 PolarHBondContact O-N 3.44Å; L176-T180 PolarHBondContact O-OG1 2.95Å; L176-F201 HydrophobicContact CD1-CZ 4.4Å; L176-F201 HydrophobicContact CD2-CE2 3.45Å; L176-F201 VanDerWaalsContact CD2-CE2 3.45Å; L176-F201 HydrophobicContact CD2-CZ 3.69Å
177Q56.9Low53.3Low55 Ų5578.3 Ų78.326%0.25742%0.421SS..Hα-helixtrans-54.3-46.2-175.4-65.1-179-6.300113A169 V172 P173 D174 K179 T180 I181A169-Q177 VanDerWaalsContact O-CG 3.29Å; A169-Q177 WeakPolarHBondContact O-CG 3.3Å; A169-Q177 PolarHBondContact O-NE2 2.88Å; V172-Q177 HydrophobicContact CB-CG 4.3Å; V172-Q177 HydrophobicContact CG1-CG 4.47Å; V172-Q177 VanDerWaalsContact O-CG 3.31Å; V172-Q177 WeakPolarHBondContact O-CG 3.36Å; V172-Q177 PolarHBondContact O-NE2 3.11Å; P173-Q177 PolarHBondContact O-N 3.48Å; D174-Q177 PolarHBondContact O-N 3.13Å; D174-Q177 PolarHBondContact OD1-NE2 3.38Å; Q177-K179 PolarHBondContact O-N 3.07Å; Q177-T180 PolarHBondContact O-N 3.18Å; Q177-T180 PolarHBondContact O-OG1 2.92Å; Q177-I181 WeakPolarHBondContact O-CD1 3.45Å; Q177-I181 VanDerWaalsContact O-CG1 3.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.05Å; Q177-I181 PolarHBondContact O-N 3.48Å
178H54Low53.4Low136 Ų13683.4 Ų83.463%0.6344%0.444SS*.Hα-helixtrans-63.7-28179-173.269.8000113.1L176L176-H178 VanDerWaalsContact C-N 3.35Å; L176-H178 PolarHBondContact O-N 3.12Å
179K49Very low52.9Low74 Ų7480 Ų8032%0.32243%0.43SS..Hα-helixtrans-84.3-21-178.6-63.7171.9-175.7140.90112.6E175 L176 Q177 P183 F201 Y205E175-K179 PolarHBondContact O-NZ 3.24Å; L176-K179 HydrophobicContact CD2-CD 4.4Å; L176-K179 WeakPolarHBondContact O-CA 3.41Å; L176-K179 WeakPolarHBondContact O-CB 3.32Å; L176-K179 PolarHBondContact O-N 3.4Å; Q177-K179 PolarHBondContact O-N 3.07Å; K179-P183 WeakPolarHBondContact O-CD 3.38Å; K179-P183 VanDerWaalsContact O-CG 3.31Å; K179-P183 WeakPolarHBondContact O-CG 3.47Å; K179-F201 HydrophobicContact CD-CD2 4.37Å; K179-F201 HydrophobicContact CD-CE2 4.32Å; K179-Y205 WeakPolarHBondContact CE-OH 3.32Å; K179-Y205 PolarHBondContact NZ-OH 2.85Å
180T47.9Very low52.4Low10 Ų1081.2 Ų81.26%0.06143%0.432CS..Hα-helixtrans-82.7-33.2172.17.90000112.3P164 F165 L176 Q177 P183 Q184P164-T180 WeakPolarHBondContact O-CG2 3.48Å; F165-T180 HydrophobicContact CD1-CG2 4.05Å; L176-T180 PolarHBondContact O-N 3.44Å; L176-T180 PolarHBondContact O-OG1 2.95Å; Q177-T180 PolarHBondContact O-N 3.18Å; Q177-T180 PolarHBondContact O-OG1 2.92Å; T180-P183 WeakPolarHBondContact O-CD 3.37Å; T180-Q184 WeakPolarHBondContact O-CG 3.36Å; T180-Q184 PolarHBondContact O-OE1 2.99Å
181I54.7Low52Low81 Ų8180.7 Ų80.742%0.41543%0.428SS..Hα-helixtrans-69.2-42.3-175-67.6162.4000113.4A169 Q177 Q184 S185A169-I181 HydrophobicContact CB-CD1 4.32Å; A169-I181 HydrophobicContact CB-CG1 4.14Å; Q177-I181 WeakPolarHBondContact O-CD1 3.45Å; Q177-I181 VanDerWaalsContact O-CG1 3.25Å; Q177-I181 WeakPolarHBondContact O-CG1 3.05Å; Q177-I181 PolarHBondContact O-N 3.48Å; I181-Q184 PolarHBondContact O-N 3.35Å; I181-S185 PolarHBondContact O-OG 2.91Å
182Q49.9Very low51.5Low118 Ų11884.2 Ų84.255%0.55144%0.44SS*.Hα-helixtrans-66-45.6-178.1-88.7-160.83.900113.9Q184 S185Q182-Q184 PolarHBondContact O-N 3.32Å; Q182-S185 PolarHBondContact O-N 3.02Å; Q182-S185 PolarHBondContact O-OG 3.33Å
183P49.6Very low50.7Low14 Ų1484.7 Ų84.79%0.09144%0.443CS..Hα-helixtrans-66.8-21.5176.4-21.933.3000114.2F165 K179 T180 S185F165-P183 HydrophobicContact CD1-CB 4.16Å; F165-P183 HydrophobicContact CD1-CG 4.4Å; F165-P183 HydrophobicContact CE1-CB 4.26Å; F165-P183 HydrophobicContact CE1-CG 4.15Å; K179-P183 WeakPolarHBondContact O-CD 3.38Å; K179-P183 VanDerWaalsContact O-CG 3.31Å; K179-P183 WeakPolarHBondContact O-CG 3.47Å; T180-P183 WeakPolarHBondContact O-CD 3.37Å; P183-S185 VanDerWaalsContact C-N 3.32Å
184Q47.7Very low50.5Low83 Ų8381.6 Ų81.639%0.38842%0.423SS..Hα-helixtrans-75.8-16.9178.9-78171.3-16.700113.5F165 V167 T180 I181 Q182F165-Q184 WeakPolarHBondContact O-CG 3.45Å; F165-Q184 PolarHBondContact O-NE2 3.4Å; V167-Q184 PolarHBondContact O-NE2 3.27Å; T180-Q184 WeakPolarHBondContact O-CG 3.36Å; T180-Q184 PolarHBondContact O-OE1 2.99Å; I181-Q184 PolarHBondContact O-N 3.35Å; Q182-Q184 PolarHBondContact O-N 3.32Å
185S53.9Low49.9Very low95 Ų9579.6 Ų79.666%0.66441%0.411SS*.SBendtrans-108.6-2-168.731.40000115.2I181 Q182 P183I181-S185 PolarHBondContact O-OG 2.91Å; Q182-S185 PolarHBondContact O-N 3.02Å; Q182-S185 PolarHBondContact O-OG 3.33Å; P183-S185 VanDerWaalsContact C-N 3.32Å
186D51.3Low49.5Very low64 Ų6479.1 Ų79.134%0.34241%0.407SS..  trans-144.6112.9-177.5178.6-24.6000110.3E188 L189 N190D186-E188 VanDerWaalsContact C-N 3.27Å; D186-E188 PolarHBondContact O-N 3.47Å; D186-E188 WeakPolarHBondContact OD1-CA 3.21Å; D186-E188 WeakPolarHBondContact OD1-CB 3.03Å; D186-E188 PolarHBondContact OD1-N 3.38Å; D186-L189 HydrophobicContact CB-CB 3.8Å; D186-L189 HydrophobicContact CB-CD1 3.84Å; D186-L189 HydrophobicContact CB-CG 4.09Å; D186-L189 PolarHBondContact O-N 2.94Å; D186-L189 PolarHBondContact OD1-N 3.47Å; D186-L189 WeakPolarHBondContact OD2-CD1 3.4Å; D186-L189 VanDerWaalsContact OD2-CG 3.23Å; D186-L189 WeakPolarHBondContact OD2-CG 3.38Å; D186-N190 VanDerWaalsContact O-CB 3.22Å; D186-N190 WeakPolarHBondContact O-CB 3.45Å; D186-N190 PolarHBondContact O-N 3.03Å
187D57.8Low49.5Very low147 Ų14780.8 Ų80.879%0.78642%0.415SS*.Hα-helixtrans-63.5-31-178.3-70.4-35.6000113A191D187-A191 PolarHBondContact O-N 3.36Å
188E53.1Low49Very low122 Ų12279.2 Ų79.257%0.5741%0.409SS*.Hα-helixtrans-81-39.6-178.9-157.2-176.6159.200110.9D186 A191 K192D186-E188 VanDerWaalsContact C-N 3.27Å; D186-E188 PolarHBondContact O-N 3.47Å; D186-E188 WeakPolarHBondContact OD1-CA 3.21Å; D186-E188 WeakPolarHBondContact OD1-CB 3.03Å; D186-E188 PolarHBondContact OD1-N 3.38Å; E188-A191 PolarHBondContact O-N 2.82Å; E188-K192 HydrophobicContact CG-CD 4.46Å; E188-K192 WeakPolarHBondContact O-CB 3.31Å; E188-K192 WeakPolarHBondContact O-CG 3.41Å; E188-K192 PolarHBondContact O-N 3Å; E188-K192 IonicContact OE1-NZ 2.61Å; E188-K192 PolarHBondContact OE1-NZ 3.07Å
189L43.9Very low48.7Very low69 Ų6976.2 Ų76.236%0.36140%0.397SS..Hα-helixtrans-66.2-37.2167.1-76.1173.6000111D186 A191 K192 C193D186-L189 HydrophobicContact CB-CB 3.8Å; D186-L189 HydrophobicContact CB-CD1 3.84Å; D186-L189 HydrophobicContact CB-CG 4.09Å; D186-L189 PolarHBondContact O-N 2.94Å; D186-L189 PolarHBondContact OD1-N 3.47Å; D186-L189 WeakPolarHBondContact OD2-CD1 3.4Å; D186-L189 VanDerWaalsContact OD2-CG 3.23Å; D186-L189 WeakPolarHBondContact OD2-CG 3.38Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 3.27Å; L189-K192 PolarHBondContact O-N 3.28Å; L189-C193 WeakPolarHBondContact O-CA 3.48Å; L189-C193 WeakPolarHBondContact O-CB 3.42Å; L189-C193 PolarHBondContact O-N 2.93Å; L189-C193 PolarHBondContact O-SG 3.01Å; L189-C193 VanDerWaalsContact O-SG 3.36Å
190N44.7Very low48.8Very low56 Ų5676.8 Ų76.830%0.29940%0.401SS..Hα-helixtrans-59.3-44.1173.9-166.33.6000109.4D186 K192 N194D186-N190 VanDerWaalsContact O-CB 3.22Å; D186-N190 WeakPolarHBondContact O-CB 3.45Å; D186-N190 PolarHBondContact O-N 3.03Å; N190-K192 PolarHBondContact O-N 3.2Å; N190-N194 WeakPolarHBondContact O-CB 3.02Å; N190-N194 VanDerWaalsContact O-CG 3.28Å; N190-N194 PolarHBondContact O-ND2 3.13Å; N190-N194 PolarHBondContact OD1-ND2 3.08Å
191A53.2Low48.9Very low72 Ų7278.6 Ų78.660%0.59541%0.408SS*.Hα-helixtrans-64.3-40.4174.800000113.8D187 E188 L189D187-A191 PolarHBondContact O-N 3.36Å; E188-A191 PolarHBondContact O-N 2.82Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 3.27Å
192K45Very low48.6Very low140 Ų14074.9 Ų74.961%0.60939%0.389SS*.Hα-helixtrans-86.8-37.5-174.2-71.6171.5177.2167.70114.6E188 L189 N190 N194E188-K192 HydrophobicContact CG-CD 4.46Å; E188-K192 WeakPolarHBondContact O-CB 3.31Å; E188-K192 WeakPolarHBondContact O-CG 3.41Å; E188-K192 PolarHBondContact O-N 3Å; E188-K192 IonicContact OE1-NZ 2.61Å; E188-K192 PolarHBondContact OE1-NZ 3.07Å; L189-K192 PolarHBondContact O-N 3.28Å; N190-K192 PolarHBondContact O-N 3.2Å; K192-N194 PolarHBondContact O-N 3.39Å
193C36.6Very low48.8Very low24 Ų2475.8 Ų75.816%0.16239%0.391CS..Hα-helixtrans-68.5-22.7179.5-76.40000113L189 I195 L197L189-C193 WeakPolarHBondContact O-CA 3.48Å; L189-C193 WeakPolarHBondContact O-CB 3.42Å; L189-C193 PolarHBondContact O-N 2.93Å; L189-C193 PolarHBondContact O-SG 3.01Å; L189-C193 VanDerWaalsContact O-SG 3.36Å; C193-I195 PolarHBondContact O-N 3.4Å; C193-L197 HydrophobicContact CB-CB 4.48Å; C193-L197 HydrophobicContact CB-CD1 3.79Å; C193-L197 HydrophobicContact CB-CG 4.32Å; C193-L197 PolarHBondContact O-N 3.36Å; C193-L197 VanDerWaalsContact O-N 3.17Å; C193-L197 WeakPolarHBondContact SG-CD1 3.1Å
194N48.7Very low49Very low8 Ų883.1 Ų83.14%0.04342%0.417CS..Hα-helixtrans-68.2-8-166.4-102.6-52.3000116.3N190 K192 L198 R225N190-N194 WeakPolarHBondContact O-CB 3.02Å; N190-N194 VanDerWaalsContact O-CG 3.28Å; N190-N194 PolarHBondContact O-ND2 3.13Å; N190-N194 PolarHBondContact OD1-ND2 3.08Å; K192-N194 PolarHBondContact O-N 3.39Å; N194-L198 VanDerWaalsContact O-CD1 3.22Å; N194-L198 WeakPolarHBondContact O-CD1 3.5Å; N194-L198 VanDerWaalsContact OD1-CD1 3.28Å; N194-L198 WeakPolarHBondContact OD1-CD1 3.24Å; N194-R225 VanDerWaalsContact CG-NH2 3.31Å; N194-R225 PolarHBondContact ND2-NH1 3.46Å; N194-R225 PolarHBondContact ND2-NH2 3.3Å; N194-R225 PolarHBondContact OD1-NH1 2.95Å
195I46.2Very low49Very low88 Ų8883.5 Ų83.545%0.45142%0.416SS..Hα-helixtrans-114.1-48.3175-59.5177000110.5C193 L199C193-I195 PolarHBondContact O-N 3.4Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 2.95Å
196F46.8Very low48.7Very low157 Ų15779.6 Ų79.669%0.68939%0.387SS*.Hα-helixtrans-75.9-49.7-170.8-166-97000112.4L199 E200F196-L199 PolarHBondContact O-N 3.49Å; F196-E200 WeakPolarHBondContact O-CB 3.42Å; F196-E200 PolarHBondContact O-N 3.26Å; F196-E200 VanDerWaalsContact O-N 3.09Å
197L48.5Very low48.8Very low83 Ų8378.2 Ų78.244%0.43538%0.383SS..Hα-helixtrans-70.5-34.4180-72.6-178.3000112.2C193 E200 F201C193-L197 HydrophobicContact CB-CB 4.48Å; C193-L197 HydrophobicContact CB-CD1 3.79Å; C193-L197 HydrophobicContact CB-CG 4.32Å; C193-L197 PolarHBondContact O-N 3.36Å; C193-L197 VanDerWaalsContact O-N 3.17Å; C193-L197 WeakPolarHBondContact SG-CD1 3.1Å; L197-E200 PolarHBondContact O-N 3.22Å; L197-F201 WeakPolarHBondContact O-CB 3.5Å; L197-F201 PolarHBondContact O-N 3.34Å
198L46.5Very low48.6Very low22 Ų2275.2 Ų75.212%0.11537%0.366CS..Hα-helixtrans-68.3-38.8177.4-94.9152.7000112.5F165 N194 F201 C202 I222F165-L198 HydrophobicContact CE2-CD1 4.07Å; F165-L198 HydrophobicContact CZ-CD1 4.2Å; F165-L198 HydrophobicContact CZ-CD2 4.42Å; F165-L198 HydrophobicContact CZ-CG 4.34Å; N194-L198 VanDerWaalsContact O-CD1 3.22Å; N194-L198 WeakPolarHBondContact O-CD1 3.5Å; N194-L198 VanDerWaalsContact OD1-CD1 3.28Å; N194-L198 WeakPolarHBondContact OD1-CD1 3.24Å; L198-F201 PolarHBondContact O-N 3.46Å; L198-C202 WeakPolarHBondContact O-CB 3.4Å; L198-C202 PolarHBondContact O-N 3.4Å; L198-C202 PolarHBondContact O-SG 3.23Å; L198-I222 HydrophobicContact CB-CD1 4.3Å
199L48.8Very low48.6Very low73 Ų7376.8 Ų76.838%0.38238%0.379SS..Hα-helixtrans-68.5-40.6174.7-164.383.3000111.4I195 F196 C202 K203I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 2.95Å; F196-L199 PolarHBondContact O-N 3.49Å; L199-C202 PolarHBondContact O-N 3.33Å; L199-K203 HydrophobicContact CG-CD 4.47Å; L199-K203 WeakPolarHBondContact O-CB 3.18Å; L199-K203 VanDerWaalsContact O-CG 3.24Å; L199-K203 WeakPolarHBondContact O-CG 3.34Å; L199-K203 PolarHBondContact O-N 2.81Å
200E51.2Low48.6Very low87 Ų8780.1 Ų80.141%0.40739%0.393SS..Hα-helixtrans-65.5-40.7175.3-137.4-100159.100110.6F196 L197 K203 R204F196-E200 WeakPolarHBondContact O-CB 3.42Å; F196-E200 PolarHBondContact O-N 3.26Å; F196-E200 VanDerWaalsContact O-N 3.09Å; L197-E200 PolarHBondContact O-N 3.22Å; E200-K203 PolarHBondContact O-N 3.13Å; E200-R204 WeakPolarHBondContact O-CB 3.4Å; E200-R204 PolarHBondContact O-N 3.08Å; E200-R204 IonicContact OE1-NH1 3.93Å
201F48.8Very low48.6Very low48 Ų4882.2 Ų82.221%0.21140%0.399CS..Hα-helixtrans-60.4-50.2173.3-178.3-95.5000112.2L176 K179 L197 L198 K203 R204 Y205L176-F201 HydrophobicContact CD1-CZ 4.4Å; L176-F201 HydrophobicContact CD2-CE2 3.45Å; L176-F201 VanDerWaalsContact CD2-CE2 3.45Å; L176-F201 HydrophobicContact CD2-CZ 3.69Å; K179-F201 HydrophobicContact CD-CD2 4.37Å; K179-F201 HydrophobicContact CD-CE2 4.32Å; L197-F201 WeakPolarHBondContact O-CB 3.5Å; L197-F201 PolarHBondContact O-N 3.34Å; L198-F201 PolarHBondContact O-N 3.46Å; F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.65Å; F201-R204 PolarHBondContact O-N 3.36Å; F201-Y205 HydrophobicContact CB-CD2 4.49Å; F201-Y205 AromaticContact CD2-CD2 3.36Å; F201-Y205 HydrophobicContact CD2-CD2 3.36Å; F201-Y205 AromaticContact CD2-CE2 3.9Å; F201-Y205 HydrophobicContact CD2-CE2 3.9Å; F201-Y205 HydrophobicContact CD2-CG 4.21Å; F201-Y205 AromaticContact CE2-CD2 3.61Å; F201-Y205 HydrophobicContact CE2-CD2 3.61Å; F201-Y205 HydrophobicContact CE2-CE2 4.29Å; F201-Y205 HydrophobicContact CE2-CG 4.02Å; F201-Y205 HydrophobicContact CG-CD2 4.04Å; F201-Y205 HydrophobicContact CZ-CD2 4.48Å; F201-Y205 WeakPolarHBondContact O-CD2 3.45Å; F201-Y205 PolarHBondContact O-N 3.48Å
202C47.9Very low48.2Very low2 Ų282.4 Ų82.41%0.01439%0.394CS..Hα-helixtrans-61.6-39.1177.2-66.60000111.5L198 L199 L206 F218L198-C202 WeakPolarHBondContact O-CB 3.4Å; L198-C202 PolarHBondContact O-N 3.4Å; L198-C202 PolarHBondContact O-SG 3.23Å; L199-C202 PolarHBondContact O-N 3.33Å; C202-L206 HydrophobicContact CB-CD1 4.34Å; C202-L206 CarbonylContact O-C 3.49Å; C202-L206 WeakPolarHBondContact O-CB 3.33Å; C202-L206 PolarHBondContact O-N 3.44Å; C202-L206 VanDerWaalsContact O-O 3.04Å; C202-F218 VanDerWaalsContact SG-CB 3.52Å
203K54.6Low48.2Very low138 Ų13878 Ų7860%0.638%0.384SS*.Hα-helixtrans-69.9-34177.4-75.1173.3179.1-179.60112.9L199 E200 F201L199-K203 HydrophobicContact CG-CD 4.47Å; L199-K203 WeakPolarHBondContact O-CB 3.18Å; L199-K203 VanDerWaalsContact O-CG 3.24Å; L199-K203 WeakPolarHBondContact O-CG 3.34Å; L199-K203 PolarHBondContact O-N 2.81Å; E200-K203 PolarHBondContact O-N 3.13Å; F201-K203 VanDerWaalsContact C-N 3.29Å; F201-K203 PolarHBondContact O-N 2.65Å
204R54.4Low48.4Very low167 Ų16778.6 Ų78.663%0.6339%0.385SS*.Hα-helixtrans-92.1-32.1-170.5-167.7168.5-170.9106.66.9113.9E200 F201E200-R204 WeakPolarHBondContact O-CB 3.4Å; E200-R204 PolarHBondContact O-N 3.08Å; E200-R204 IonicContact OE1-NH1 3.93Å; F201-R204 PolarHBondContact O-N 3.36Å
205Y47.1Very low48.6Very low92 Ų9280.6 Ų80.636%0.36139%0.392SS..Hα-helixtrans-121.1-14.3-172.4-56.3-78.6000113.9K179 F201K179-Y205 WeakPolarHBondContact CE-OH 3.32Å; K179-Y205 PolarHBondContact NZ-OH 2.85Å; F201-Y205 HydrophobicContact CB-CD2 4.49Å; F201-Y205 AromaticContact CD2-CD2 3.36Å; F201-Y205 HydrophobicContact CD2-CD2 3.36Å; F201-Y205 AromaticContact CD2-CE2 3.9Å; F201-Y205 HydrophobicContact CD2-CE2 3.9Å; F201-Y205 HydrophobicContact CD2-CG 4.21Å; F201-Y205 AromaticContact CE2-CD2 3.61Å; F201-Y205 HydrophobicContact CE2-CD2 3.61Å; F201-Y205 HydrophobicContact CE2-CE2 4.29Å; F201-Y205 HydrophobicContact CE2-CG 4.02Å; F201-Y205 HydrophobicContact CG-CD2 4.04Å; F201-Y205 HydrophobicContact CZ-CD2 4.48Å; F201-Y205 WeakPolarHBondContact O-CD2 3.45Å; F201-Y205 PolarHBondContact O-N 3.48Å
206L48.3Very low48.9Very low12 Ų1282.1 Ų82.16%0.06339%0.392CS..SBendtrans-108.381.8172.9-57.4176000108.6C202 N208 F211 L214 R215 F218C202-L206 HydrophobicContact CB-CD1 4.34Å; C202-L206 CarbonylContact O-C 3.49Å; C202-L206 WeakPolarHBondContact O-CB 3.33Å; C202-L206 PolarHBondContact O-N 3.44Å; C202-L206 VanDerWaalsContact O-O 3.04Å; L206-N208 PolarHBondContact O-N 2.75Å; L206-F211 HydrophobicContact CD2-CD2 4.44Å; L206-L214 HydrophobicContact CD1-CG 4.2Å; L206-L214 HydrophobicContact CD2-CD2 3.45Å; L206-L214 VanDerWaalsContact CD2-CD2 3.45Å; L206-L214 HydrophobicContact CD2-CG 3.84Å; L206-R215 HydrophobicContact CB-CB 4.07Å; L206-R215 HydrophobicContact CB-CG 4.31Å; L206-F218 HydrophobicContact CD1-CB 4.43Å; L206-F218 HydrophobicContact CD1-CD2 3.34Å; L206-F218 HydrophobicContact CD1-CE2 3.81Å; L206-F218 HydrophobicContact CD1-CG 4.11Å
207S53.4Low49Very low36 Ų3677 Ų7725%0.25237%0.369SS..  trans-57.6138.1171.379.10000108.7D209 E210 F211S207-D209 PolarHBondContact O-N 3.42Å; S207-E210 WeakPolarHBondContact OG-CB 3.33Å; S207-E210 VanDerWaalsContact OG-CG 3.22Å; S207-E210 WeakPolarHBondContact OG-CG 3.44Å; S207-E210 PolarHBondContact OG-N 3.18Å; S207-E210 PolarHBondContact OG-OE2 2.83Å; S207-F211 PolarHBondContact O-N 3.09Å; S207-F211 VanDerWaalsContact O-N 3.12Å
208N54.1Low48.9Very low83 Ų8374.2 Ų74.244%0.44435%0.353SS..THydrogen-bonded Turntrans-58.8-27.9175.1-98.7-23.7000111.2L206 P212 R215L206-N208 PolarHBondContact O-N 2.75Å; N208-P212 WeakPolarHBondContact O-CA 3.45Å; N208-P212 VanDerWaalsContact O-CB 3.28Å; N208-P212 WeakPolarHBondContact O-CB 3.22Å; N208-P212 WeakPolarHBondContact O-CD 3.29Å; N208-R215 PolarHBondContact ND2-NH1 3.33Å; N208-R215 WeakPolarHBondContact OD1-CD 3.09Å; N208-R215 PolarHBondContact OD1-NE 2.85Å; N208-R215 PolarHBondContact OD1-NH1 3.28Å
209D52.7Low49.1Very low156 Ų15676.7 Ų76.783%0.83436%0.364SS*.THydrogen-bonded Turntrans-84.4-32.8-170.8-55.9-36.7000111.8S207S207-D209 PolarHBondContact O-N 3.42Å
210E43.9Very low49Very low139 Ų13973.6 Ų73.665%0.6535%0.348SS*.THydrogen-bonded Turntrans-92.2-34.6179.1-63.7164.1144.400112.5S207S207-E210 WeakPolarHBondContact OG-CB 3.33Å; S207-E210 VanDerWaalsContact OG-CG 3.22Å; S207-E210 WeakPolarHBondContact OG-CG 3.44Å; S207-E210 PolarHBondContact OG-N 3.18Å; S207-E210 PolarHBondContact OG-OE2 2.83Å
211F43.9Very low48.7Very low100 Ų10073.7 Ų73.744%0.43934%0.344SS..  trans-136.957.1-175.1-49.6-78.5000113.5L206 S207 A213 L214 R215L206-F211 HydrophobicContact CD2-CD2 4.44Å; S207-F211 PolarHBondContact O-N 3.09Å; S207-F211 VanDerWaalsContact O-N 3.12Å; F211-A213 VanDerWaalsContact C-N 3.28Å; F211-A213 PolarHBondContact O-N 3.47Å; F211-L214 HydrophobicContact CB-CB 3.6Å; F211-L214 HydrophobicContact CB-CD2 4.07Å; F211-L214 HydrophobicContact CB-CG 4.41Å; F211-L214 HydrophobicContact CD1-CD2 4.31Å; F211-L214 HydrophobicContact CG-CD2 4.2Å; F211-L214 WeakPolarHBondContact O-CB 3.42Å; F211-L214 PolarHBondContact O-N 2.94Å; F211-R215 PolarHBondContact O-N 2.91Å
212P45.1Very low48.7Very low75 Ų7572.4 Ų72.449%0.48734%0.339SS..Hα-helixtrans-58.2-40.5-175.920.5-30.8000112.5N208 R216N208-P212 WeakPolarHBondContact O-CA 3.45Å; N208-P212 VanDerWaalsContact O-CB 3.28Å; N208-P212 WeakPolarHBondContact O-CB 3.22Å; N208-P212 WeakPolarHBondContact O-CD 3.29Å; P212-R216 VanDerWaalsContact O-CB 3.28Å; P212-R216 WeakPolarHBondContact O-CB 3.45Å; P212-R216 PolarHBondContact O-N 3.37Å; P212-R216 VanDerWaalsContact O-N 3.14Å
213A44.3Very low48.5Very low47 Ų4774.7 Ų74.739%0.38835%0.351SS..Hα-helixtrans-67.5-40.9177.200000111.9F211 R217F211-A213 VanDerWaalsContact C-N 3.28Å; F211-A213 PolarHBondContact O-N 3.47Å; A213-R217 VanDerWaalsContact O-CB 3.28Å; A213-R217 WeakPolarHBondContact O-CB 3.33Å; A213-R217 WeakPolarHBondContact O-CG 3.47Å; A213-R217 PolarHBondContact O-N 3.4Å
214L42Very low48.1Very low38 Ų3868.7 Ų68.720%0.19933%0.326CS..Hα-helixtrans-66.6-48.7-178.1-169.654.9000111.2F161 L206 F211 R216 R217 F218F161-L214 HydrophobicContact CD1-CD1 4.17Å; F161-L214 HydrophobicContact CE1-CD1 3.23Å; F161-L214 HydrophobicContact CZ-CD1 3.87Å; L206-L214 HydrophobicContact CD1-CG 4.2Å; L206-L214 HydrophobicContact CD2-CD2 3.45Å; L206-L214 VanDerWaalsContact CD2-CD2 3.45Å; L206-L214 HydrophobicContact CD2-CG 3.84Å; F211-L214 HydrophobicContact CB-CB 3.6Å; F211-L214 HydrophobicContact CB-CD2 4.07Å; F211-L214 HydrophobicContact CB-CG 4.41Å; F211-L214 HydrophobicContact CD1-CD2 4.31Å; F211-L214 HydrophobicContact CG-CD2 4.2Å; F211-L214 WeakPolarHBondContact O-CB 3.42Å; F211-L214 PolarHBondContact O-N 2.94Å; L214-R216 PolarHBondContact O-N 2.69Å; L214-R217 WeakPolarHBondContact O-CB 3.35Å; L214-R217 PolarHBondContact O-N 2.86Å; L214-F218 HydrophobicContact CD1-CD2 3.93Å; L214-F218 HydrophobicContact CD1-CE2 3.48Å; L214-F218 VanDerWaalsContact CD1-CE2 3.48Å; L214-F218 HydrophobicContact CD2-CE2 4.42Å; L214-F218 HydrophobicContact CG-CD2 3.93Å; L214-F218 HydrophobicContact CG-CE2 3.7Å; L214-F218 VanDerWaalsContact O-CD2 3.24Å; L214-F218 WeakPolarHBondContact O-CD2 3.4Å; L214-F218 PolarHBondContact O-N 3.3Å
215R51.4Low47.6Very low50 Ų5066.8 Ų66.819%0.18932%0.319CS..Hα-helixtrans-60.3-47.3177.9-171.7-164.8171.9147-14.5111.2L206 N208 F211 R217 F218 E219L206-R215 HydrophobicContact CB-CB 4.07Å; L206-R215 HydrophobicContact CB-CG 4.31Å; N208-R215 PolarHBondContact ND2-NH1 3.33Å; N208-R215 WeakPolarHBondContact OD1-CD 3.09Å; N208-R215 PolarHBondContact OD1-NE 2.85Å; N208-R215 PolarHBondContact OD1-NH1 3.28Å; F211-R215 PolarHBondContact O-N 2.91Å; R215-R217 VanDerWaalsContact C-N 3.28Å; R215-R217 PolarHBondContact O-N 3.43Å; R215-F218 PolarHBondContact O-N 2.84Å; R215-E219 IonicContact NE-OE1 3.34Å; R215-E219 PolarHBondContact NE-OE1 2.89Å; R215-E219 WeakPolarHBondContact O-CG 3.29Å; R215-E219 PolarHBondContact O-N 3.36Å
216R52.6Low47.6Very low119 Ų11964.7 Ų64.745%0.44931%0.314SS..Hα-helixtrans-56.2-46.3176-163.8168.5-172.8142.5-1110.2E84 P212 L214 F218 E219 I220E84-R216 VanDerWaalsContact CD-NH2 3.32Å; E84-R216 IonicContact OE1-CZ 3.22Å; E84-R216 VanDerWaalsContact OE1-CZ 3.22Å; E84-R216 IonicContact OE1-NH1 2.66Å; E84-R216 PolarHBondContact OE1-NH1 3.35Å; E84-R216 IonicContact OE1-NH2 3.22Å; E84-R216 PolarHBondContact OE1-NH2 3.36Å; P212-R216 VanDerWaalsContact O-CB 3.28Å; P212-R216 WeakPolarHBondContact O-CB 3.45Å; P212-R216 PolarHBondContact O-N 3.37Å; P212-R216 VanDerWaalsContact O-N 3.14Å; L214-R216 PolarHBondContact O-N 2.69Å; R216-F218 PolarHBondContact O-N 3.03Å; R216-E219 WeakPolarHBondContact O-CB 3.37Å; R216-E219 PolarHBondContact O-N 3.39Å; R216-I220 HydrophobicContact CG-CD1 4.11Å; R216-I220 WeakPolarHBondContact O-CD1 3.28Å; R216-I220 WeakPolarHBondContact O-CG1 3.43Å; R216-I220 PolarHBondContact O-N 3.23Å
217R48.7Very low47.7Very low51 Ų5166.7 Ų66.719%0.19233%0.325CS..Hα-helixtrans-63.7-33.1178.1-78.4173.4162.3172.310.7115.1D88 A213 L214 R215 I220 R221D88-R217 PolarHBondContact O-NH2 3.23Å; D88-R217 VanDerWaalsContact O-NH2 3.12Å; D88-R217 IonicContact OD1-CZ 3.87Å; D88-R217 VanDerWaalsContact OD1-CZ 3.24Å; D88-R217 IonicContact OD1-NE 2.89Å; D88-R217 PolarHBondContact OD1-NE 3.47Å; D88-R217 IonicContact OD1-NH2 3.24Å; D88-R217 PolarHBondContact OD1-NH2 3.2Å; D88-R217 WeakPolarHBondContact OD2-CD 3.49Å; D88-R217 VanDerWaalsContact OD2-CG 3.24Å; D88-R217 WeakPolarHBondContact OD2-CG 2.92Å; D88-R217 IonicContact OD2-CZ 3.47Å; D88-R217 VanDerWaalsContact OD2-CZ 3.27Å; D88-R217 IonicContact OD2-NE 3.48Å; D88-R217 PolarHBondContact OD2-NE 3.36Å; D88-R217 IonicContact OD2-NH2 3.27Å; D88-R217 PolarHBondContact OD2-NH2 2.86Å; A213-R217 VanDerWaalsContact O-CB 3.28Å; A213-R217 WeakPolarHBondContact O-CB 3.33Å; A213-R217 WeakPolarHBondContact O-CG 3.47Å; A213-R217 PolarHBondContact O-N 3.4Å; L214-R217 WeakPolarHBondContact O-CB 3.35Å; L214-R217 PolarHBondContact O-N 2.86Å; R215-R217 VanDerWaalsContact C-N 3.28Å; R215-R217 PolarHBondContact O-N 3.43Å; R217-I220 WeakPolarHBondContact O-CB 3.29Å; R217-R221 PolarHBondContact O-N 2.97Å
218F46.8Very low47.6Very low23 Ų2368.4 Ų68.410%0.10133%0.331CS..Hα-helixtrans-73.4-41.4173.7-84.8-76.3000112.2C202 L206 L214 R215 R216 I220 R221 I222C202-F218 VanDerWaalsContact SG-CB 3.52Å; L206-F218 HydrophobicContact CD1-CB 4.43Å; L206-F218 HydrophobicContact CD1-CD2 3.34Å; L206-F218 HydrophobicContact CD1-CE2 3.81Å; L206-F218 HydrophobicContact CD1-CG 4.11Å; L214-F218 HydrophobicContact CD1-CD2 3.93Å; L214-F218 HydrophobicContact CD1-CE2 3.48Å; L214-F218 VanDerWaalsContact CD1-CE2 3.48Å; L214-F218 HydrophobicContact CD2-CE2 4.42Å; L214-F218 HydrophobicContact CG-CD2 3.93Å; L214-F218 HydrophobicContact CG-CE2 3.7Å; L214-F218 VanDerWaalsContact O-CD2 3.24Å; L214-F218 WeakPolarHBondContact O-CD2 3.4Å; L214-F218 PolarHBondContact O-N 3.3Å; R215-F218 PolarHBondContact O-N 2.84Å; R216-F218 PolarHBondContact O-N 3.03Å; F218-I220 PolarHBondContact O-N 3.35Å; F218-R221 PolarHBondContact O-N 3.06Å; F218-R221 VanDerWaalsContact O-N 3.15Å; F218-I222 WeakPolarHBondContact O-CG1 3.47Å; F218-I222 PolarHBondContact O-N 2.95Å
219E50.7Low47.4Very low74 Ų7464.4 Ų64.435%0.34631%0.309SS..Hα-helixtrans-57-38.6172.7-69.5172.1-177.900110.7R215 R216 I222 L223R215-E219 IonicContact NE-OE1 3.34Å; R215-E219 PolarHBondContact NE-OE1 2.89Å; R215-E219 WeakPolarHBondContact O-CG 3.29Å; R215-E219 PolarHBondContact O-N 3.36Å; R216-E219 WeakPolarHBondContact O-CB 3.37Å; R216-E219 PolarHBondContact O-N 3.39Å; E219-I222 WeakPolarHBondContact O-CB 3.47Å; E219-I222 PolarHBondContact O-N 3.42Å; E219-L223 WeakPolarHBondContact O-CB 3.05Å; E219-L223 WeakPolarHBondContact O-CG 3.41Å; E219-L223 PolarHBondContact O-N 3.47Å
220I47Very low47.4Very low9 Ų957 Ų575%0.04627%0.27CS..Hα-helixtrans-61.4-47.3175.6-70.7161.3000112.2R85 Y86 R216 R217 F218 I222 L223 V224R85-I220 HydrophobicContact CB-CD1 4.05Å; R85-I220 HydrophobicContact CB-CG1 4.27Å; R85-I220 VanDerWaalsContact CD-CG2 3.42Å; R85-I220 HydrophobicContact CG-CB 4Å; R85-I220 HydrophobicContact CG-CD1 3.43Å; R85-I220 VanDerWaalsContact CG-CD1 3.43Å; R85-I220 HydrophobicContact CG-CG1 3.39Å; R85-I220 HydrophobicContact CG-CG2 3.55Å; R85-I220 WeakPolarHBondContact O-CD1 3.36Å; Y86-I220 HydrophobicContact CD1-CG2 4.4Å; Y86-I220 HydrophobicContact CE1-CG2 3.65Å; R216-I220 HydrophobicContact CG-CD1 4.11Å; R216-I220 WeakPolarHBondContact O-CD1 3.28Å; R216-I220 WeakPolarHBondContact O-CG1 3.43Å; R216-I220 PolarHBondContact O-N 3.23Å; R217-I220 WeakPolarHBondContact O-CB 3.29Å; F218-I220 PolarHBondContact O-N 3.35Å; I220-I222 VanDerWaalsContact C-N 3.33Å; I220-I222 PolarHBondContact O-N 3.34Å; I220-L223 PolarHBondContact O-N 3.02Å; I220-V224 VanDerWaalsContact O-CG2 3.28Å; I220-V224 WeakPolarHBondContact O-CG2 3.16Å; I220-V224 PolarHBondContact O-N 3.42Å
221R45.5Very low48Very low88 Ų8858 Ų5833%0.33227%0.268SS..Hα-helixtrans-65.6-36.3177-175.2176.5-101.1164.4-5.3111.8F161 A162 R217 F218 L223 V224 R225F161-R221 PolarHBondContact O-NH1 3.49Å; F161-R221 PolarHBondContact O-NH2 3.13Å; A162-R221 PolarHBondContact O-NH2 3.42Å; R217-R221 PolarHBondContact O-N 2.97Å; F218-R221 PolarHBondContact O-N 3.06Å; F218-R221 VanDerWaalsContact O-N 3.15Å; R221-L223 VanDerWaalsContact C-N 3.34Å; R221-V224 PolarHBondContact O-N 2.9Å; R221-R225 VanDerWaalsContact O-CB 3.3Å; R221-R225 WeakPolarHBondContact O-CB 3.38Å; R221-R225 PolarHBondContact O-N 3.12Å
222I48.2Very low48.5Very low21 Ų2154.9 Ų54.911%0.10826%0.26CS..Hα-helixtrans-61.2-42.7171.8-67.1168.6000110.8L198 F218 E219 I220 N226L198-I222 HydrophobicContact CB-CD1 4.3Å; F218-I222 WeakPolarHBondContact O-CG1 3.47Å; F218-I222 PolarHBondContact O-N 2.95Å; E219-I222 WeakPolarHBondContact O-CB 3.47Å; E219-I222 PolarHBondContact O-N 3.42Å; I220-I222 VanDerWaalsContact C-N 3.33Å; I220-I222 PolarHBondContact O-N 3.34Å; I222-N226 PolarHBondContact O-N 3.47Å; I222-N226 PolarHBondContact O-ND2 3.28Å
223L44.8Very low48.9Very low51 Ų5151.7 Ų51.727%0.26724%0.239SC..Hα-helixtrans-70.4-38-179.8-71.4169.6000112.9E219 I220 R221 N227 L228 L229E219-L223 WeakPolarHBondContact O-CB 3.05Å; E219-L223 WeakPolarHBondContact O-CG 3.41Å; E219-L223 PolarHBondContact O-N 3.47Å; I220-L223 PolarHBondContact O-N 3.02Å; R221-L223 VanDerWaalsContact C-N 3.34Å; L223-N227 PolarHBondContact O-N 3.19Å; L223-L228 HydrophobicContact CD2-CB 3.58Å; L223-L228 HydrophobicContact CD2-CD1 3.99Å; L223-L228 HydrophobicContact CD2-CG 4.44Å; L223-L228 PolarHBondContact O-N 3.16Å; L223-L228 VanDerWaalsContact O-N 3.11Å; L223-L229 HydrophobicContact CB-CB 4.47Å; L223-L229 PolarHBondContact O-N 3.31Å
224V44.6Very low49.5Very low12 Ų1251.1 Ų51.17%0.07323%0.23CC..Hα-helixtrans-65.2-48.5175.2168.40000110.6F8 N12 Y86 I220 R221 N226 N227 L229F8-V224 HydrophobicContact CZ-CG2 4.5Å; N12-V224 WeakPolarHBondContact OD1-CG1 3.29Å; Y86-V224 WeakPolarHBondContact OH-CG2 3.46Å; I220-V224 VanDerWaalsContact O-CG2 3.28Å; I220-V224 WeakPolarHBondContact O-CG2 3.16Å; I220-V224 PolarHBondContact O-N 3.42Å; R221-V224 PolarHBondContact O-N 2.9Å; V224-N226 PolarHBondContact O-N 3.38Å; V224-N227 PolarHBondContact O-N 3.03Å; V224-L229 HydrophobicContact CG2-CD1 3.9Å
225R45.4Very low50.3Low126 Ų12652.3 Ų52.348%0.47524%0.241SC..Hα-helixtrans-59.6-32.9-179.7-173.8173.6-179.1162.4-0.4113.2N194 R221N194-R225 VanDerWaalsContact CG-NH2 3.31Å; N194-R225 PolarHBondContact ND2-NH1 3.46Å; N194-R225 PolarHBondContact ND2-NH2 3.3Å; N194-R225 PolarHBondContact OD1-NH1 2.95Å; R221-R225 VanDerWaalsContact O-CB 3.3Å; R221-R225 WeakPolarHBondContact O-CB 3.38Å; R221-R225 PolarHBondContact O-N 3.12Å
226N45.7Very low50.7Low49 Ų4957.3 Ų57.326%0.26226%0.26SS..THydrogen-bonded Turntrans-101.514.1-173.5-69.3-50.4000114.6I222 V224 L228I222-N226 PolarHBondContact O-N 3.47Å; I222-N226 PolarHBondContact O-ND2 3.28Å; V224-N226 PolarHBondContact O-N 3.38Å; N226-L228 HydrophobicContact CB-CB 4.49Å; N226-L228 HydrophobicContact CB-CD1 3.63Å; N226-L228 HydrophobicContact CB-CG 3.67Å; N226-L228 PolarHBondContact O-N 2.93Å
227N50.8Low50.7Low53 Ų5352 Ų5228%0.28324%0.241SC..THydrogen-bonded Turntrans55.810.8-175.8-150.4-87.2000113.1Y5 L223 V224 L229 R231Y5-N227 WeakPolarHBondContact CE1-OD1 3.42Å; L223-N227 PolarHBondContact O-N 3.19Å; V224-N227 PolarHBondContact O-N 3.03Å; N227-L229 PolarHBondContact O-N 3Å; N227-R231 PolarHBondContact O-N 3.23Å
228L51.7Low50.7Low72 Ų7256.6 Ų56.638%0.37726%0.259SS..Hα-helixtrans-69.8-24.6-173.7-74.4170000110.8L223 N226 R231 A232L223-L228 HydrophobicContact CD2-CB 3.58Å; L223-L228 HydrophobicContact CD2-CD1 3.99Å; L223-L228 HydrophobicContact CD2-CG 4.44Å; L223-L228 PolarHBondContact O-N 3.16Å; L223-L228 VanDerWaalsContact O-N 3.11Å; N226-L228 HydrophobicContact CB-CB 4.49Å; N226-L228 HydrophobicContact CB-CD1 3.63Å; N226-L228 HydrophobicContact CB-CG 3.67Å; N226-L228 PolarHBondContact O-N 2.93Å; L228-R231 PolarHBondContact O-N 3.24Å; L228-A232 WeakPolarHBondContact O-CA 3.46Å; L228-A232 WeakPolarHBondContact O-CB 3.18Å; L228-A232 PolarHBondContact O-N 3.24Å
229L49.6Very low51Low0 Ų060.6 Ų60.60%028%0.278CS..Hα-helixtrans-65.1-51.9-177.5-164.1155.6000111.8F8 L78 M82 R85 L223 V224 N227 R231 A232 V233F8-L229 HydrophobicContact CE1-CB 4.41Å; F8-L229 HydrophobicContact CE2-CD1 4.25Å; F8-L229 HydrophobicContact CE2-CD2 4.01Å; F8-L229 HydrophobicContact CZ-CB 3.96Å; F8-L229 HydrophobicContact CZ-CD1 3.99Å; F8-L229 HydrophobicContact CZ-CD2 4.06Å; F8-L229 HydrophobicContact CZ-CG 4.25Å; L78-L229 HydrophobicContact CD1-CD2 3.66Å; M82-L229 HydrophobicContact CE-CD1 4.2Å; M82-L229 HydrophobicContact CE-CD2 3.54Å; M82-L229 HydrophobicContact SD-CD1 4.38Å; M82-L229 HydrophobicContact SD-CD2 4.3Å; R85-L229 VanDerWaalsContact CZ-CG 3.46Å; L223-L229 HydrophobicContact CB-CB 4.47Å; L223-L229 PolarHBondContact O-N 3.31Å; V224-L229 HydrophobicContact CG2-CD1 3.9Å; N227-L229 PolarHBondContact O-N 3Å; L229-R231 VanDerWaalsContact C-N 3.34Å; L229-R231 PolarHBondContact O-N 3.03Å; L229-A232 PolarHBondContact O-N 3.47Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.48Å; L229-V233 PolarHBondContact O-N 3.37Å
230L53.5Low51.3Low1 Ų165 Ų651%0.00529%0.291CS..Hα-helixtrans-68.5-37.1177.1-145.8104000111.4M1 L4 Y5 F8 L78 V233 L234M1-L230 HydrophobicContact CE-CD2 4.46Å; L4-L230 HydrophobicContact CD2-CD1 4.18Å; L4-L230 HydrophobicContact CG-CD1 4.06Å; Y5-L230 HydrophobicContact CD1-CB 4.37Å; Y5-L230 HydrophobicContact CD1-CD2 3.38Å; Y5-L230 HydrophobicContact CD1-CG 4.4Å; Y5-L230 HydrophobicContact CD2-CD2 3.5Å; Y5-L230 VanDerWaalsContact CD2-CD2 3.5Å; Y5-L230 HydrophobicContact CE1-CB 3.97Å; Y5-L230 HydrophobicContact CE1-CD2 3.25Å; Y5-L230 HydrophobicContact CE1-CG 4.2Å; Y5-L230 HydrophobicContact CE2-CD2 3.38Å; Y5-L230 HydrophobicContact CG-CD2 3.5Å; Y5-L230 VanDerWaalsContact CG-CD2 3.5Å; F8-L230 HydrophobicContact CB-CD1 3.96Å; F8-L230 HydrophobicContact CD1-CB 4.49Å; F8-L230 HydrophobicContact CD1-CD1 4.31Å; F8-L230 HydrophobicContact CG-CD1 4.1Å; L78-L230 HydrophobicContact CD2-CD1 4.19Å; L230-V233 PolarHBondContact O-N 3.01Å; L230-L234 HydrophobicContact CD2-CD1 3.83Å; L230-L234 HydrophobicContact CD2-CG 4.5Å; L230-L234 HydrophobicContact CG-CD1 4.43Å; L230-L234 VanDerWaalsContact O-CB 3.29Å; L230-L234 WeakPolarHBondContact O-CB 3.49Å; L230-L234 VanDerWaalsContact O-CG 3.22Å; L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 3.22Å
231R56Low51.7Low159 Ų15969 Ų6960%0.631%0.308SS*.Hα-helixtrans-63.3-41.2174.8-72.5-177.3171.8-171.9-2.1112.6N227 L228 L229 S235N227-R231 PolarHBondContact O-N 3.23Å; L228-R231 PolarHBondContact O-N 3.24Å; L229-R231 VanDerWaalsContact C-N 3.34Å; L229-R231 PolarHBondContact O-N 3.03Å; R231-S235 WeakPolarHBondContact O-CB 3.41Å; R231-S235 PolarHBondContact O-N 2.89Å
232A54.5Low51.8Low35 Ų3568.3 Ų68.329%0.28931%0.309SS..Hα-helixtrans-70.5-41.1178.500000111.1L228 L229 S235 R236L228-A232 WeakPolarHBondContact O-CA 3.46Å; L228-A232 WeakPolarHBondContact O-CB 3.18Å; L228-A232 PolarHBondContact O-N 3.24Å; L229-A232 PolarHBondContact O-N 3.47Å; A232-S235 PolarHBondContact O-N 3.47Å; A232-R236 WeakPolarHBondContact O-CB 3.28Å; A232-R236 VanDerWaalsContact O-CG 3.27Å; A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-N 2.82Å
233V53.9Low51.8Low7 Ų772.6 Ų72.64%0.04233%0.331CS..Hα-helixtrans-60.2-51.8172.6172.10000109.5M77 L78 D81 L229 L230 S235 R236 T237M77-V233 HydrophobicContact CB-CG1 4.29Å; L78-V233 HydrophobicContact CB-CG1 4.5Å; L78-V233 HydrophobicContact CD1-CG2 4.14Å; D81-V233 HydrophobicContact CB-CG2 4.31Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.48Å; L229-V233 PolarHBondContact O-N 3.37Å; L230-V233 PolarHBondContact O-N 3.01Å; V233-S235 VanDerWaalsContact C-N 3.33Å; V233-S235 PolarHBondContact O-N 3.2Å; V233-R236 PolarHBondContact O-N 3.41Å; V233-T237 HydrophobicContact CG1-CG2 4.25Å; V233-T237 WeakPolarHBondContact O-CG2 3.44Å; V233-T237 PolarHBondContact O-N 3.01Å
234L56Low52.2Low35 Ų3573.1 Ų73.118%0.18334%0.339CS..Hα-helixtrans-61.6-35.8178.4-74.6170.8000114.1M1 Y5 H74 L230 T237 Y238M1-L234 HydrophobicContact CE-CD1 4.02Å; M1-L234 HydrophobicContact CE-CD2 3.22Å; M1-L234 HydrophobicContact CE-CG 4.02Å; M1-L234 HydrophobicContact CG-CD2 4.29Å; M1-L234 HydrophobicContact SD-CD2 3.89Å; Y5-L234 HydrophobicContact CE2-CD1 3.82Å; Y5-L234 WeakPolarHBondContact OH-CD1 3.29Å; H74-L234 VanDerWaalsContact CD2-CD2 3.45Å; H74-L234 WeakPolarHBondContact CD2-CD2 2.95Å; H74-L234 WeakPolarHBondContact NE2-CD2 3.45Å; L230-L234 HydrophobicContact CD2-CD1 3.83Å; L230-L234 HydrophobicContact CD2-CG 4.5Å; L230-L234 HydrophobicContact CG-CD1 4.43Å; L230-L234 VanDerWaalsContact O-CB 3.29Å; L230-L234 WeakPolarHBondContact O-CB 3.49Å; L230-L234 VanDerWaalsContact O-CG 3.22Å; L230-L234 WeakPolarHBondContact O-CG 3.35Å; L230-L234 PolarHBondContact O-N 3.22Å; L234-T237 PolarHBondContact O-N 3.25Å; L234-T237 PolarHBondContact O-OG1 2.89Å; L234-Y238 PolarHBondContact O-N 3.17Å; L234-Y238 VanDerWaalsContact O-N 3.09Å
235S59.4Low52.7Low63 Ų6374.8 Ų74.844%0.44135%0.354SS..Hα-helixtrans-68.1-43.5175.3-179.80000111.1R231 A232 V233 T237 Y238 H239R231-S235 WeakPolarHBondContact O-CB 3.41Å; R231-S235 PolarHBondContact O-N 2.89Å; A232-S235 PolarHBondContact O-N 3.47Å; V233-S235 VanDerWaalsContact C-N 3.33Å; V233-S235 PolarHBondContact O-N 3.2Å; S235-T237 VanDerWaalsContact C-N 3.31Å; S235-T237 PolarHBondContact O-N 3.03Å; S235-Y238 PolarHBondContact O-N 3.47Å; S235-H239 PolarHBondContact O-N 2.72Å
236R58.3Low53.1Low156 Ų15675.3 Ų75.359%0.58936%0.362SS*.Hα-helixtrans-62.5-37.4174.5-73.5174.7-178173.51.1112D81 A232 V233 R240D81-R236 IonicContact OD1-NH1 2.85Å; A232-R236 WeakPolarHBondContact O-CB 3.28Å; A232-R236 VanDerWaalsContact O-CG 3.27Å; A232-R236 WeakPolarHBondContact O-CG 3.49Å; A232-R236 PolarHBondContact O-N 2.82Å; V233-R236 PolarHBondContact O-N 3.41Å; R236-R240 WeakPolarHBondContact O-CB 3Å; R236-R240 PolarHBondContact O-N 3.39Å
237T52.4Low53.4Low7 Ų780.4 Ų80.44%0.04338%0.384CS..Hα-helixtrans-68.2-39.6177.970.70000111.8H74 M77 V233 L234 S235 R240 K241H74-T237 WeakPolarHBondContact CD2-CG2 3.44Å; H74-T237 PolarHBondContact CD2-OG1 2.83Å; H74-T237 WeakPolarHBondContact NE2-CB 3.49Å; H74-T237 PolarHBondContact NE2-OG1 2.98Å; M77-T237 HydrophobicContact CE-CG2 3.11Å; M77-T237 HydrophobicContact SD-CG2 3.54Å; M77-T237 VanDerWaalsContact SD-CG2 3.54Å; V233-T237 HydrophobicContact CG1-CG2 4.25Å; V233-T237 WeakPolarHBondContact O-CG2 3.44Å; V233-T237 PolarHBondContact O-N 3.01Å; L234-T237 PolarHBondContact O-N 3.25Å; L234-T237 PolarHBondContact O-OG1 2.89Å; S235-T237 VanDerWaalsContact C-N 3.31Å; S235-T237 PolarHBondContact O-N 3.03Å; T237-R240 PolarHBondContact O-N 3.31Å; T237-K241 WeakPolarHBondContact O-CG 3.5Å; T237-K241 PolarHBondContact O-N 2.84Å; T237-K241 VanDerWaalsContact O-N 3.13Å
238Y50.8Low53.4Low148 Ų14883.1 Ų83.158%0.5840%0.403SS*.Hα-helixtrans-61.9-50.4175.6-169.3-95.4000111.2L234 S235 R240 K241 E242L234-Y238 PolarHBondContact O-N 3.17Å; L234-Y238 VanDerWaalsContact O-N 3.09Å; S235-Y238 PolarHBondContact O-N 3.47Å; Y238-R240 PolarHBondContact O-N 2.88Å; Y238-K241 PolarHBondContact O-N 3.33Å; Y238-E242 HydrophobicContact CE1-CG 4.24Å; Y238-E242 WeakPolarHBondContact CE1-OE1 3.48Å; Y238-E242 PolarHBondContact O-N 3.18Å; Y238-E242 VanDerWaalsContact O-N 3.08Å
239H52.7Low53.3Low106 Ų10688 Ų8849%0.49142%0.423SS..Hα-helixtrans-65.2-36177.6-78.9-2.2000113.7S235 K241 E242 L243S235-H239 PolarHBondContact O-N 2.72Å; H239-K241 VanDerWaalsContact C-N 3.29Å; H239-K241 PolarHBondContact O-N 2.97Å; H239-E242 IonicContact CE1-OE2 2.79Å; H239-E242 IonicContact ND1-OE2 3.35Å; H239-E242 PolarHBondContact ND1-OE2 2.91Å; H239-E242 PolarHBondContact O-N 3.15Å; H239-L243 WeakPolarHBondContact O-CB 3.3Å; H239-L243 WeakPolarHBondContact O-CG 3.4Å; H239-L243 PolarHBondContact O-N 3.34Å
240R56.3Low53Low166 Ų16690.6 Ų90.663%0.62645%0.451SS*.Hα-helixtrans-65.2-35.9176.7-160.3178.8-160.5174.44.9111.4R236 T237 Y238 S244R236-R240 WeakPolarHBondContact O-CB 3Å; R236-R240 PolarHBondContact O-N 3.39Å; T237-R240 PolarHBondContact O-N 3.31Å; Y238-R240 PolarHBondContact O-N 2.88Å; R240-S244 PolarHBondContact O-N 3.33Å; R240-S244 PolarHBondContact O-OG 3.49Å
241K56.3Low52.5Low93 Ų9399.1 Ų99.140%0.40449%0.49SS..Hα-helixtrans-67.4-44174.3-74.9-172.8-179.7-173.40112.2S70 T237 Y238 H239 L243 S244 A245S70-K241 VanDerWaalsContact CB-NZ 3.29Å; S70-K241 PolarHBondContact OG-NZ 3.48Å; T237-K241 WeakPolarHBondContact O-CG 3.5Å; T237-K241 PolarHBondContact O-N 2.84Å; T237-K241 VanDerWaalsContact O-N 3.13Å; Y238-K241 PolarHBondContact O-N 3.33Å; H239-K241 VanDerWaalsContact C-N 3.29Å; H239-K241 PolarHBondContact O-N 2.97Å; K241-L243 PolarHBondContact O-N 3.43Å; K241-S244 WeakPolarHBondContact CA-OG 3.2Å; K241-S244 PolarHBondContact O-N 3.5Å; K241-S244 PolarHBondContact O-OG 3.32Å; K241-A245 WeakPolarHBondContact O-CB 3.23Å; K241-A245 PolarHBondContact O-N 3.02Å
242E47.7Very low51.7Low75 Ų7599.7 Ų99.735%0.3551%0.505SS..Hα-helixtrans-58.7-47.1174-76.5-179.9142.900111.4Y238 H239 S244 A245 H246Y238-E242 HydrophobicContact CE1-CG 4.24Å; Y238-E242 WeakPolarHBondContact CE1-OE1 3.48Å; Y238-E242 PolarHBondContact O-N 3.18Å; Y238-E242 VanDerWaalsContact O-N 3.08Å; H239-E242 IonicContact CE1-OE2 2.79Å; H239-E242 IonicContact ND1-OE2 3.35Å; H239-E242 PolarHBondContact ND1-OE2 2.91Å; H239-E242 PolarHBondContact O-N 3.15Å; E242-S244 VanDerWaalsContact C-N 3.34Å; E242-S244 PolarHBondContact O-N 3.1Å; E242-A245 PolarHBondContact O-N 2.97Å; E242-H246 WeakPolarHBondContact O-CB 3.48Å; E242-H246 PolarHBondContact O-CD2 2.9Å; E242-H246 PolarHBondContact O-N 3.44Å
243L47.7Very low51Low110 Ų110103.7 Ų103.758%0.57653%0.531SS*.Hα-helixtrans-60.8-41.7177.1-73.9163.7000112.1H239 K241 Q247H239-L243 WeakPolarHBondContact O-CB 3.3Å; H239-L243 WeakPolarHBondContact O-CG 3.4Å; H239-L243 PolarHBondContact O-N 3.34Å; K241-L243 PolarHBondContact O-N 3.43Å; L243-Q247 WeakPolarHBondContact O-CG 3.18Å; L243-Q247 PolarHBondContact O-N 3.31Å; L243-Q247 VanDerWaalsContact O-N 3.13Å
244S53.2Low50.2Low62 Ų62107.1 Ų107.143%0.43457%0.568SS.*Hα-helixtrans-67.6-34.5176.1620000113.4R240 K241 E242 T248R240-S244 PolarHBondContact O-N 3.33Å; R240-S244 PolarHBondContact O-OG 3.49Å; K241-S244 WeakPolarHBondContact CA-OG 3.2Å; K241-S244 PolarHBondContact O-N 3.5Å; K241-S244 PolarHBondContact O-OG 3.32Å; E242-S244 VanDerWaalsContact C-N 3.34Å; E242-S244 PolarHBondContact O-N 3.1Å; S244-T248 WeakPolarHBondContact O-CG2 3.34Å; S244-T248 PolarHBondContact O-N 3.05Å; S244-T248 PolarHBondContact O-OG1 3.3Å
245A54.2Low49.1Very low47 Ų47114.4 Ų114.439%0.38860%0.601SS.*Hα-helixtrans-76.2-32.2178.800000112.4K241 E242 T248 H249K241-A245 WeakPolarHBondContact O-CB 3.23Å; K241-A245 PolarHBondContact O-N 3.02Å; E242-A245 PolarHBondContact O-N 2.97Å; A245-T248 PolarHBondContact O-OG1 3.27Å; A245-H249 PolarHBondContact O-N 2.65Å
246H53.5Low48.1Very low138 Ų138117.4 Ų117.464%0.63962%0.619SS**Hα-helixtrans-73.5-29.8173.8-71.5-53.8000112.7E242E242-H246 WeakPolarHBondContact O-CB 3.48Å; E242-H246 PolarHBondContact O-CD2 2.9Å; E242-H246 PolarHBondContact O-N 3.44Å
247Q51.9Low47.3Very low155 Ų155114.9 Ų114.972%0.72463%0.631SS**Hα-helixtrans-74.9-27.3175.6-74.5176.8-5.500113.3L243L243-Q247 WeakPolarHBondContact O-CG 3.18Å; L243-Q247 PolarHBondContact O-N 3.31Å; L243-Q247 VanDerWaalsContact O-N 3.13Å
248T52.2Low46.7Very low111 Ų111119 Ų11968%0.68167%0.666SS**Hα-helixtrans-83.9-16.5177.853.10000114.2S244 A245S244-T248 WeakPolarHBondContact O-CG2 3.34Å; S244-T248 PolarHBondContact O-N 3.05Å; S244-T248 PolarHBondContact O-OG1 3.3Å; A245-T248 PolarHBondContact O-OG1 3.27Å
249H49.7Very low46.3Very low173 Ų173118.1 Ų118.180%0.80168%0.681SS**SBendtrans-100.8-1.5177.4-84.2-48.9000115.2A245A245-H249 PolarHBondContact O-N 2.65Å
250G43.6Very low45.8Very low56 Ų56117.6 Ų117.658%0.57769%0.69SS**SBendtrans-93.99.8-176.300000116.9
251H42.6Very low45.2Very low179 Ų179116.4 Ų116.483%0.82970%0.696SS**SBendtrans-132.473.3-178.3-12140.3000110.4
252N39.6Very low44.4Very low171 Ų171117.7 Ų117.791%0.91471%0.711SS**  trans-171.678.2161.2-94.1-22.1000109.5
253S39.8Very low44.3Very low119 Ų119122 Ų12283%0.83274%0.735SS**  trans-151.6116.9167.961.70000111.3
254G36.8Very low44Very low79 Ų79128.3 Ų128.381%0.81475%0.751SS**  trans78.1134.2170.400000113.8
255E32.9Very low44.2Very low188 Ų188134.3 Ų134.388%0.87979%0.793SS**  cis-173.2149.314.5-141.9172178.600105.1
256P36.9Very low43.7Very low126 Ų126138.7 Ų138.782%0.81881%0.814SS**  trans-87.3128.1-173.632.8-28.7000111.5
257A43.2Very low43.1Very low103 Ų103138.7 Ų138.785%0.85182%0.823SS**  trans-102.5113.1171.100000110.8
258A40.2Very low42.6Very low94 Ų94137.8 Ų137.878%0.77783%0.828SS**  trans-63.7142.5167.700000111.5
259S40.6Very low42.1Very low129 Ų129139.4 Ų139.490%0.90284%0.837SS**  trans-162.6122.4140.1-86.20000111.8
260S42.3Very low41.6Very low95 Ų95137.3 Ų137.366%0.66484%0.839SS**  trans-64.1149.8174.6172.30000113.1
261N43.4Very low41.5Very low142 Ų142142.7 Ų142.776%0.75986%0.857SS**  163.7104.6126.2-78.8-17.8000109.2
262V39.8Very low41.4Very low120 Ų120140.1 Ų140.173%0.72786%0.859SS**  57.6116.393.9-1740000111.1
263I46.2Very low41.5Very low166 Ų166137.8 Ų137.885%0.85185%0.854SS**  -163.5145.598.8-79.6156.1000110.9
264R40.6Very low41.7Very low241 Ų241139.3 Ų139.391%0.90986%0.856SS**  trans-58.3148.5-178.1-74.9164.2161.6157.4-5.2117.2
265S57.3Low42.1Very low189 Ų189144.8 Ų144.8100%1.32286%0.86SS**  -138.40113.11770000109.1

Retrieved 265 of 265 residues in 125.5 ms (Link to these results)

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