A0A5K4FC46_SCHMA Loading...

Ceramidase

AlphaFold DB , UniProt , Accession A0A5K4FC46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 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
1M55Low85.2Confident105 Ų10538.8 Ų38.852%0.51721%0.205SC..  0155.80-74.5-178.2165.100107.9E66 S82 H85M1-E66 PolarHBondContact N-OE1 3.17Å; M1-S82 PolarHBondContact N-OG 3.37Å; M1-H85 PolarHBondContact O-CE1 3.39Å; M1-H85 PolarHBondContact O-ND1 3.09Å
2G70.8Confident86Confident14 Ų1442.6 Ų42.614%0.14422%0.224CC..  trans-89.5136.7167.400000109.2Y193G2-Y193 VanDerWaalsContact C-CZ 3.46Å; G2-Y193 VanDerWaalsContact C-OH 3.25Å; G2-Y193 VanDerWaalsContact CA-OH 3.27Å; G2-Y193 WeakPolarHBondContact CA-OH 3.45Å; G2-Y193 WeakPolarHBondContact O-CE1 3.46Å; G2-Y193 PolarHBondContact O-OH 3.05Å
3T83.6Confident86.5Confident42 Ų4242.8 Ų42.826%0.25822%0.222SC..  trans-124157168.765.50000109.2L5 G6 H7T3-L5 VanDerWaalsContact C-N 3.28Å; T3-L5 PolarHBondContact O-N 3.38Å; T3-G6 PolarHBondContact O-N 3.15Å; T3-G6 PolarHBondContact OG1-N 3.4Å; T3-H7 PolarHBondContact O-N 2.95Å; T3-H7 PolarHBondContact O-ND1 3.49Å
4F89.8Confident87.1Confident48 Ų4842.6 Ų42.621%0.21122%0.221CC..Hα-helixtrans-50.9-50.7173.6179.5-110.6000111.3G6 H7 I8 G189 F190 Y193 P195F4-G6 PolarHBondContact O-N 3.18Å; F4-H7 PolarHBondContact O-N 3.25Å; F4-H7 VanDerWaalsContact O-N 3.13Å; F4-I8 HydrophobicContact CD1-CG1 4.1Å; F4-I8 HydrophobicContact CD2-CG1 4.05Å; F4-I8 HydrophobicContact CE1-CG1 3.72Å; F4-I8 HydrophobicContact CE2-CD1 3.86Å; F4-I8 HydrophobicContact CE2-CG1 3.65Å; F4-I8 HydrophobicContact CG-CG1 4.26Å; F4-I8 HydrophobicContact CZ-CD1 3.84Å; F4-I8 HydrophobicContact CZ-CG1 3.48Å; F4-I8 VanDerWaalsContact CZ-CG1 3.48Å; F4-I8 WeakPolarHBondContact O-CG1 3.49Å; F4-I8 PolarHBondContact O-N 3.23Å; F4-G189 WeakPolarHBondContact CD2-O 3.49Å; F4-F190 AromaticContact CE2-CD1 3.93Å; F4-F190 HydrophobicContact CE2-CD1 3.93Å; F4-F190 AromaticContact CE2-CE1 3.94Å; F4-F190 HydrophobicContact CE2-CE1 3.94Å; F4-F190 HydrophobicContact CE2-CG 4.28Å; F4-F190 HydrophobicContact CE2-CZ 4.31Å; F4-F190 HydrophobicContact CZ-CD1 4.33Å; F4-F190 AromaticContact CZ-CE1 3.87Å; F4-F190 HydrophobicContact CZ-CE1 3.87Å; F4-F190 HydrophobicContact CZ-CZ 4.07Å; F4-Y193 HydrophobicContact CB-CG 4.35Å; F4-Y193 WeakPolarHBondContact CD2-O 3.23Å; F4-P195 HydrophobicContact CE1-CB 4.16Å; F4-P195 HydrophobicContact CE1-CG 4.25Å; F4-P195 HydrophobicContact CE2-CB 4.35Å; F4-P195 HydrophobicContact CE2-CG 3.86Å; F4-P195 HydrophobicContact CZ-CB 4.07Å; F4-P195 HydrophobicContact CZ-CG 3.67Å
5L88.5Confident87.7Confident71 Ų7140.7 Ų40.737%0.37222%0.215SC..Hα-helixtrans-67.9-34.1-178.4-67-179.3000113T3 H7 I8 Y9T3-L5 VanDerWaalsContact C-N 3.28Å; T3-L5 PolarHBondContact O-N 3.38Å; L5-H7 PolarHBondContact O-N 3.13Å; L5-H7 VanDerWaalsContact O-N 3.17Å; L5-I8 PolarHBondContact O-N 3.33Å; L5-Y9 HydrophobicContact CB-CD2 3.84Å; L5-Y9 HydrophobicContact CB-CE2 3.78Å; L5-Y9 HydrophobicContact CD1-CE2 4.07Å; L5-Y9 HydrophobicContact CD2-CD2 4.39Å; L5-Y9 HydrophobicContact CD2-CE2 3.83Å; L5-Y9 HydrophobicContact CG-CE2 4.09Å; L5-Y9 WeakPolarHBondContact O-CB 3.47Å; L5-Y9 VanDerWaalsContact O-CD2 3.29Å; L5-Y9 WeakPolarHBondContact O-CD2 3.47Å; L5-Y9 PolarHBondContact O-N 3.16Å
6G85.8Confident88.2Confident18 Ų1844.6 Ų44.619%0.18624%0.235CC..Hα-helixtrans-61.7-17.9173.600000113.9T3 F4 P10T3-G6 PolarHBondContact O-N 3.15Å; T3-G6 PolarHBondContact OG1-N 3.4Å; F4-G6 PolarHBondContact O-N 3.18Å; G6-P10 VanDerWaalsContact O-CD 3.32Å; G6-P10 WeakPolarHBondContact O-CD 3.33Å; G6-P10 WeakPolarHBondContact O-CG 3.34Å
7H92.6Very high88.5Confident10 Ų1042.2 Ų42.25%0.04622%0.222CC..Hα-helixtrans-97.7-47.7172.6-69.781.6000111.7T3 F4 L5 G11 H144 L185 I188 Y193T3-H7 PolarHBondContact O-N 2.95Å; T3-H7 PolarHBondContact O-ND1 3.49Å; F4-H7 PolarHBondContact O-N 3.25Å; F4-H7 VanDerWaalsContact O-N 3.13Å; L5-H7 PolarHBondContact O-N 3.13Å; L5-H7 VanDerWaalsContact O-N 3.17Å; H7-G11 PolarHBondContact O-N 3.48Å; H7-H144 AromaticContact NE2-CE1 3.92Å; H7-H144 AromaticContact NE2-NE2 3.42Å; H7-H144 PolarHBondContact NE2-NE2 2.69Å; H7-L185 WeakPolarHBondContact CB-O 3.14Å; H7-I188 VanDerWaalsContact CD2-CG2 3.42Å; H7-I188 WeakPolarHBondContact CD2-CG2 3.48Å; H7-I188 WeakPolarHBondContact NE2-CG2 3.42Å; H7-Y193 AromaticContact CE1-CE2 3.78Å; H7-Y193 AromaticContact ND1-CE2 3.93Å
8I94Very high89Confident21 Ų2139.8 Ų39.811%0.10821%0.21CC..Hα-helixtrans-64-46.1-174.5-65.2-62.8000112.2F4 L5 G11 L12 C186 F190F4-I8 HydrophobicContact CD1-CG1 4.1Å; F4-I8 HydrophobicContact CD2-CG1 4.05Å; F4-I8 HydrophobicContact CE1-CG1 3.72Å; F4-I8 HydrophobicContact CE2-CD1 3.86Å; F4-I8 HydrophobicContact CE2-CG1 3.65Å; F4-I8 HydrophobicContact CG-CG1 4.26Å; F4-I8 HydrophobicContact CZ-CD1 3.84Å; F4-I8 HydrophobicContact CZ-CG1 3.48Å; F4-I8 VanDerWaalsContact CZ-CG1 3.48Å; F4-I8 WeakPolarHBondContact O-CG1 3.49Å; F4-I8 PolarHBondContact O-N 3.23Å; L5-I8 PolarHBondContact O-N 3.33Å; I8-G11 PolarHBondContact O-N 2.95Å; I8-L12 HydrophobicContact CG2-CD1 3.68Å; I8-L12 HydrophobicContact CG2-CG 4.15Å; I8-L12 WeakPolarHBondContact O-CB 3.25Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.48Å; I8-C186 HydrophobicContact CD1-CB 3.96Å; I8-F190 HydrophobicContact CD1-CD2 4.03Å; I8-F190 HydrophobicContact CD1-CE2 3.61Å; I8-F190 HydrophobicContact CD1-CZ 4.15Å
9Y90.7Very high89.4Confident87 Ų8740.7 Ų40.734%0.34121%0.214SC..Hα-helixtrans-61-59.1-177.9-77.5-58.3000113.2L5 G11 L12 F13 I61L5-Y9 HydrophobicContact CB-CD2 3.84Å; L5-Y9 HydrophobicContact CB-CE2 3.78Å; L5-Y9 HydrophobicContact CD1-CE2 4.07Å; L5-Y9 HydrophobicContact CD2-CD2 4.39Å; L5-Y9 HydrophobicContact CD2-CE2 3.83Å; L5-Y9 HydrophobicContact CG-CE2 4.09Å; L5-Y9 WeakPolarHBondContact O-CB 3.47Å; L5-Y9 VanDerWaalsContact O-CD2 3.29Å; L5-Y9 WeakPolarHBondContact O-CD2 3.47Å; L5-Y9 PolarHBondContact O-N 3.16Å; Y9-G11 VanDerWaalsContact C-N 3.27Å; Y9-G11 PolarHBondContact O-N 3.04Å; Y9-L12 PolarHBondContact O-N 3.3Å; Y9-F13 HydrophobicContact CD1-CZ 4.22Å; Y9-F13 WeakPolarHBondContact O-CB 3.42Å; Y9-F13 VanDerWaalsContact O-CD2 3.29Å; Y9-F13 WeakPolarHBondContact O-CD2 3.41Å; Y9-F13 WeakPolarHBondContact O-CG 3.42Å; Y9-F13 PolarHBondContact O-N 3.21Å; Y9-I61 HydrophobicContact CD2-CG2 4.46Å; Y9-I61 HydrophobicContact CG-CG2 4.46Å
10P91.1Very high89.7Confident11 Ų1141.3 Ų41.37%0.07121%0.213CC..Hα-helixtrans-62.7-35.817923.3-32000111.8G6 F13 I14 L185G6-P10 VanDerWaalsContact O-CD 3.32Å; G6-P10 WeakPolarHBondContact O-CD 3.33Å; G6-P10 WeakPolarHBondContact O-CG 3.34Å; P10-F13 PolarHBondContact O-N 3.16Å; P10-I14 WeakPolarHBondContact O-CB 3.38Å; P10-I14 WeakPolarHBondContact O-CD1 3.4Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 3.01Å; P10-L185 HydrophobicContact CB-CD2 3.8Å; P10-L185 HydrophobicContact CG-CD2 3.76Å
11G95.2Very high89.8Confident0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-62.2-50.7179.300000112.8H7 I8 Y9 F13 I14 A15 G182H7-G11 PolarHBondContact O-N 3.48Å; I8-G11 PolarHBondContact O-N 2.95Å; Y9-G11 VanDerWaalsContact C-N 3.27Å; Y9-G11 PolarHBondContact O-N 3.04Å; G11-F13 VanDerWaalsContact C-N 3.29Å; G11-F13 PolarHBondContact O-N 2.93Å; G11-I14 PolarHBondContact O-N 3.43Å; G11-A15 WeakPolarHBondContact O-CB 3.44Å; G11-A15 PolarHBondContact O-N 3.35Å; G11-G182 CarbonylContact C-O 3.55Å; G11-G182 WeakPolarHBondContact CA-O 3.49Å; G11-G182 CarbonylContact O-C 3.41Å; G11-G182 WeakPolarHBondContact O-CA 3.48Å
12L95.2Very high91.8Very high84 Ų8435.6 Ų35.644%0.4419%0.186SC..Hα-helixtrans-61.8-41.2176.4-74.2178.4000111I8 Y9 A15 L16 C186I8-L12 HydrophobicContact CG2-CD1 3.68Å; I8-L12 HydrophobicContact CG2-CG 4.15Å; I8-L12 WeakPolarHBondContact O-CB 3.25Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.48Å; Y9-L12 PolarHBondContact O-N 3.3Å; L12-A15 PolarHBondContact O-N 2.97Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.98Å; L12-C186 PolarHBondContact N-SG 3.32Å
13F91.9Very high92.9Very high45 Ų4538.9 Ų38.920%0.19719%0.193CC..Hα-helixtrans-63.9-45.7-179.4-70.6-16.4000112.5Y9 P10 G11 L16 I17 F54 T58 I61Y9-F13 HydrophobicContact CD1-CZ 4.22Å; Y9-F13 WeakPolarHBondContact O-CB 3.42Å; Y9-F13 VanDerWaalsContact O-CD2 3.29Å; Y9-F13 WeakPolarHBondContact O-CD2 3.41Å; Y9-F13 WeakPolarHBondContact O-CG 3.42Å; Y9-F13 PolarHBondContact O-N 3.21Å; P10-F13 PolarHBondContact O-N 3.16Å; G11-F13 VanDerWaalsContact C-N 3.29Å; G11-F13 PolarHBondContact O-N 2.93Å; F13-L16 PolarHBondContact O-N 3.32Å; F13-I17 VanDerWaalsContact O-CG2 3.3Å; F13-I17 WeakPolarHBondContact O-CG2 3Å; F13-I17 PolarHBondContact O-N 2.92Å; F13-F54 HydrophobicContact CB-CE1 3.81Å; F13-F54 HydrophobicContact CB-CE2 4.48Å; F13-F54 HydrophobicContact CB-CZ 3.47Å; F13-F54 VanDerWaalsContact CB-CZ 3.47Å; F13-F54 HydrophobicContact CD1-CE2 4.22Å; F13-F54 AromaticContact CD1-CZ 3.96Å; F13-F54 HydrophobicContact CD1-CZ 3.96Å; F13-F54 HydrophobicContact CG-CE1 4.46Å; F13-F54 HydrophobicContact CG-CE2 4.39Å; F13-F54 AromaticContact CG-CZ 3.81Å; F13-F54 HydrophobicContact CG-CZ 3.81Å; F13-F54 WeakPolarHBondContact O-CE1 3.36Å; F13-F54 WeakPolarHBondContact O-CZ 3.44Å; F13-T58 HydrophobicContact CB-CG2 4.36Å; F13-T58 HydrophobicContact CD2-CG2 3.59Å; F13-T58 WeakPolarHBondContact CD2-OG1 3.46Å; F13-T58 HydrophobicContact CE2-CG2 4.37Å; F13-T58 HydrophobicContact CG-CG2 4.46Å; F13-I61 HydrophobicContact CE2-CD1 4.38Å; F13-I61 HydrophobicContact CZ-CD1 4.42Å
14I94.8Very high93.2Very high40 Ų4040.2 Ų40.221%0.20520%0.199CC..Hα-helixtrans-61.4-44.8175-68166.1000110.7P10 G11 I17 A18 L178 L185P10-I14 WeakPolarHBondContact O-CB 3.38Å; P10-I14 WeakPolarHBondContact O-CD1 3.4Å; P10-I14 WeakPolarHBondContact O-CG1 3.25Å; P10-I14 PolarHBondContact O-N 3.01Å; G11-I14 PolarHBondContact O-N 3.43Å; I14-I17 WeakPolarHBondContact O-CG2 3.37Å; I14-A18 VanDerWaalsContact O-CB 3.24Å; I14-A18 WeakPolarHBondContact O-CB 3.43Å; I14-A18 PolarHBondContact O-N 3.36Å; I14-A18 VanDerWaalsContact O-N 3.08Å; I14-L178 HydrophobicContact CG2-CD1 3.71Å; I14-L178 HydrophobicContact CG2-CG 3.9Å; I14-L178 VanDerWaalsContact CG2-O 3.25Å; I14-L178 WeakPolarHBondContact CG2-O 3.34Å; I14-L185 HydrophobicContact CD1-CD2 4.33Å
15A97Very high93.2Very high15 Ų1540 Ų4012%0.12420%0.198CC..Hα-helixtrans-64.5-44.7179.900000112.1G11 L12 A18 L19G11-A15 WeakPolarHBondContact O-CB 3.44Å; G11-A15 PolarHBondContact O-N 3.35Å; L12-A15 PolarHBondContact O-N 2.97Å; A15-A18 PolarHBondContact O-N 3.34Å; A15-L19 WeakPolarHBondContact O-CB 3.3Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.48Å; A15-L19 PolarHBondContact O-N 2.99Å
16L95.5Very high93.4Very high103 Ų10336.6 Ų36.654%0.53918%0.18SC..Hα-helixtrans-68.4-40.4-178.4-70.9173.7000112.6L12 F13 A18 R20L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.98Å; F13-L16 PolarHBondContact O-N 3.32Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 PolarHBondContact O-N 3.29Å
17I93.5Very high93.5Very high3 Ų342.6 Ų42.62%0.01520%0.197CC..Hα-helixtrans-65.5-40.4175.7-168.8152.7000111F13 I14 R20 N21 E51 F54 Y55F13-I17 VanDerWaalsContact O-CG2 3.3Å; F13-I17 WeakPolarHBondContact O-CG2 3Å; F13-I17 PolarHBondContact O-N 2.92Å; I14-I17 WeakPolarHBondContact O-CG2 3.37Å; I17-R20 PolarHBondContact O-N 3.05Å; I17-N21 WeakPolarHBondContact O-CB 3.29Å; I17-N21 VanDerWaalsContact O-CG 3.24Å; I17-N21 PolarHBondContact O-N 3.16Å; I17-N21 PolarHBondContact O-OD1 3.08Å; I17-E51 HydrophobicContact CD1-CB 4.43Å; I17-E51 HydrophobicContact CD1-CG 4.02Å; I17-F54 HydrophobicContact CB-CD1 4.39Å; I17-F54 HydrophobicContact CB-CE1 3.9Å; I17-F54 HydrophobicContact CB-CZ 4.41Å; I17-F54 HydrophobicContact CD1-CD1 3.55Å; I17-F54 HydrophobicContact CD1-CE1 3.94Å; I17-F54 HydrophobicContact CD1-CG 4.26Å; I17-F54 HydrophobicContact CG2-CE1 4.23Å; I17-Y55 HydrophobicContact CD1-CE2 4.05Å
18A96.8Very high93.2Very high0 Ų044.4 Ų44.40%021%0.211CC..Hα-helixtrans-65.2-45.8178.100000111.9I14 A15 L16 R20 N21 L22 L178 I179I14-A18 VanDerWaalsContact O-CB 3.24Å; I14-A18 WeakPolarHBondContact O-CB 3.43Å; I14-A18 PolarHBondContact O-N 3.36Å; I14-A18 VanDerWaalsContact O-N 3.08Å; A15-A18 PolarHBondContact O-N 3.34Å; L16-A18 VanDerWaalsContact C-N 3.33Å; A18-R20 PolarHBondContact O-N 3.29Å; A18-N21 PolarHBondContact O-N 2.94Å; A18-L22 VanDerWaalsContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CB 3.17Å; A18-L22 PolarHBondContact O-N 3.36Å; A18-L178 HydrophobicContact CB-CB 3.92Å; A18-L178 HydrophobicContact CB-CD2 3.65Å; A18-L178 HydrophobicContact CB-CG 3.74Å; A18-I179 HydrophobicContact CB-CB 4.49Å; A18-I179 HydrophobicContact CB-CD1 4.49Å; A18-I179 HydrophobicContact CB-CG1 3.49Å; A18-I179 VanDerWaalsContact CB-CG1 3.49Å
19L97.5Very high92.8Very high57 Ų5748.8 Ų48.830%0.29823%0.23SC..Hα-helixtrans-60.8-42.7175.9-76.4169.2000112.3A15 W23 I179 T227A15-L19 WeakPolarHBondContact O-CB 3.3Å; A15-L19 VanDerWaalsContact O-CG 3.29Å; A15-L19 WeakPolarHBondContact O-CG 3.48Å; A15-L19 PolarHBondContact O-N 2.99Å; L19-W23 PolarHBondContact O-N 3.5Å; L19-I179 HydrophobicContact CD2-CD1 3.78Å; L19-I179 HydrophobicContact CD2-CG1 4.38Å; L19-I179 HydrophobicContact CG-CD1 4.2Å; L19-I179 HydrophobicContact CG-CG1 4.29Å; L19-T227 HydrophobicContact CD2-CG2 3.97Å
20R94.9Very high92.5Very high52 Ų5246.9 Ų46.920%0.19622%0.222CC..Hα-helixtrans-61.7-46.1176-172.9-166.770.9-120.6-0.5111.1L16 I17 A18 W23 I24 E51L16-R20 WeakPolarHBondContact O-CB 3.44Å; L16-R20 PolarHBondContact O-N 3.29Å; I17-R20 PolarHBondContact O-N 3.05Å; A18-R20 PolarHBondContact O-N 3.29Å; R20-W23 WeakPolarHBondContact O-CB 3.49Å; R20-W23 PolarHBondContact O-N 2.91Å; R20-I24 HydrophobicContact CG-CD1 4.06Å; R20-I24 WeakPolarHBondContact O-CG1 3.13Å; R20-I24 PolarHBondContact O-N 2.93Å; R20-E51 IonicContact CZ-OE1 3.7Å; R20-E51 IonicContact NH2-OE1 2.81Å; R20-E51 PolarHBondContact NH2-OE1 3.14Å
21N92.8Very high91.8Very high27 Ų2749.2 Ų49.214%0.14424%0.236CC..Hα-helixtrans-69.4-40-176.4-71.12.6000111.4I17 A18 W23 I24 E25 E51 K175I17-N21 WeakPolarHBondContact O-CB 3.29Å; I17-N21 VanDerWaalsContact O-CG 3.24Å; I17-N21 PolarHBondContact O-N 3.16Å; I17-N21 PolarHBondContact O-OD1 3.08Å; A18-N21 PolarHBondContact O-N 2.94Å; N21-W23 VanDerWaalsContact C-N 3.31Å; N21-W23 PolarHBondContact O-N 3.18Å; N21-I24 PolarHBondContact O-N 2.94Å; N21-E25 WeakPolarHBondContact O-CB 3.45Å; N21-E25 PolarHBondContact O-N 2.89Å; N21-E51 VanDerWaalsContact CG-OE1 3.24Å; N21-E51 PolarHBondContact ND2-OE1 3.29Å; N21-E51 PolarHBondContact OD1-OE1 2.7Å; N21-K175 HydrophobicContact CB-CD 4.38Å
22L95.8Very high90.3Very high0 Ų057 Ų570%027%0.273CS..Hα-helixtrans-55.1-45.6169.9175.963.5000111.7A18 E25 L26 L172 K175 I179 I228 M231A18-L22 VanDerWaalsContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CB 3.17Å; A18-L22 PolarHBondContact O-N 3.36Å; L22-E25 PolarHBondContact O-N 3.4Å; L22-L26 HydrophobicContact CD1-CD1 3.82Å; L22-L26 HydrophobicContact CD1-CG 4.01Å; L22-L26 HydrophobicContact CG-CD1 4.02Å; L22-L26 WeakPolarHBondContact O-CB 3.21Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.47Å; L22-L172 HydrophobicContact CD1-CD2 3.38Å; L22-K175 HydrophobicContact CB-CB 4.19Å; L22-K175 HydrophobicContact CB-CG 4.15Å; L22-K175 HydrophobicContact CD1-CB 4.18Å; L22-K175 HydrophobicContact CD1-CG 4.34Å; L22-I179 HydrophobicContact CD2-CD1 3.95Å; L22-I228 HydrophobicContact CD2-CG1 3.77Å; L22-M231 HydrophobicContact CB-CE 4.15Å; L22-M231 HydrophobicContact CD2-CE 3.82Å; L22-M231 HydrophobicContact CD2-SD 3.54Å; L22-M231 VanDerWaalsContact CD2-SD 3.54Å; L22-M231 HydrophobicContact CG-CE 3.73Å; L22-M231 HydrophobicContact CG-SD 4.09Å
23W94.3Very high88.5Confident82 Ų8257.9 Ų57.931%0.31128%0.275SS..Hα-helixtrans-63.8-44.9178.5-177.8-91.1000112.7L19 R20 N21 E25 R27 M231 I234 L235L19-W23 PolarHBondContact O-N 3.5Å; R20-W23 WeakPolarHBondContact O-CB 3.49Å; R20-W23 PolarHBondContact O-N 2.91Å; N21-W23 VanDerWaalsContact C-N 3.31Å; N21-W23 PolarHBondContact O-N 3.18Å; W23-E25 VanDerWaalsContact C-N 3.33Å; W23-R27 VanDerWaalsContact O-CB 3.22Å; W23-R27 WeakPolarHBondContact O-CB 3.2Å; W23-R27 PolarHBondContact O-N 2.98Å; W23-M231 HydrophobicContact CB-CE 3.59Å; W23-M231 HydrophobicContact CD2-CE 4.35Å; W23-M231 HydrophobicContact CE3-CB 4.39Å; W23-M231 HydrophobicContact CE3-CE 3.69Å; W23-M231 HydrophobicContact CE3-CG 4.15Å; W23-M231 HydrophobicContact CG-CE 4.38Å; W23-M231 HydrophobicContact CZ3-CB 4.46Å; W23-M231 HydrophobicContact CZ3-CG 4.35Å; W23-I234 HydrophobicContact CH2-CG2 3.95Å; W23-I234 HydrophobicContact CZ3-CG2 4.47Å; W23-L235 HydrophobicContact CE3-CD1 4.4Å; W23-L235 HydrophobicContact CH2-CD2 3.96Å; W23-L235 HydrophobicContact CH2-CG 4.17Å; W23-L235 HydrophobicContact CZ2-CD2 3.79Å; W23-L235 HydrophobicContact CZ2-CG 4.45Å; W23-L235 HydrophobicContact CZ3-CD1 4.47Å; W23-L235 HydrophobicContact CZ3-CD2 4.47Å; W23-L235 HydrophobicContact CZ3-CG 4.26Å
24I89.8Confident86.4Confident71 Ų7166.3 Ų66.336%0.36431%0.307SS..Hα-helixtrans-61.4-45.7179.7-70167.9000110.2R20 N21 R27 S28R20-I24 HydrophobicContact CG-CD1 4.06Å; R20-I24 WeakPolarHBondContact O-CG1 3.13Å; R20-I24 PolarHBondContact O-N 2.93Å; N21-I24 PolarHBondContact O-N 2.94Å; I24-R27 PolarHBondContact O-N 2.97Å; I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.36Å
25E89.6Confident84.3Confident43 Ų4370.6 Ų70.620%0.20133%0.33CS..Hα-helixtrans-66.3-50.6-179178.7170.5-161.300112.6N21 L22 W23 R27 S28 F29 L168 S171N21-E25 WeakPolarHBondContact O-CB 3.45Å; N21-E25 PolarHBondContact O-N 2.89Å; L22-E25 PolarHBondContact O-N 3.4Å; W23-E25 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.17Å; E25-S28 WeakPolarHBondContact O-CB 3.26Å; E25-S28 PolarHBondContact O-N 3.45Å; E25-S28 VanDerWaalsContact O-N 3.1Å; E25-F29 PolarHBondContact O-N 2.97Å; E25-L168 HydrophobicContact CG-CD1 4.4Å; E25-S171 WeakPolarHBondContact OE1-CB 3.48Å; E25-S171 PolarHBondContact OE1-OG 3.37Å; E25-S171 PolarHBondContact OE2-OG 3.11Å
26L91.9Very high82.1Confident0 Ų072.6 Ų72.60%034%0.337CS..Hα-helixtrans-58.3-40.1175.8-74.2177.3000111L22 F29 Y30 L168 L172 M231 M232 L235L22-L26 HydrophobicContact CD1-CD1 3.82Å; L22-L26 HydrophobicContact CD1-CG 4.01Å; L22-L26 HydrophobicContact CG-CD1 4.02Å; L22-L26 WeakPolarHBondContact O-CB 3.21Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.21Å; L22-L26 PolarHBondContact O-N 3.47Å; L26-F29 PolarHBondContact O-N 3.5Å; L26-Y30 WeakPolarHBondContact O-CD2 3.29Å; L26-Y30 PolarHBondContact O-N 2.95Å; L26-Y30 VanDerWaalsContact O-N 3.09Å; L26-L168 HydrophobicContact CD2-CD1 4.48Å; L26-L172 HydrophobicContact CD2-CD2 3.97Å; L26-L172 HydrophobicContact CG-CD2 4.42Å; L26-M231 HydrophobicContact CD1-CB 3.88Å; L26-M232 HydrophobicContact CD1-CG 3.88Å; L26-M232 HydrophobicContact CD2-CG 3.76Å; L26-M232 HydrophobicContact CD2-SD 4.47Å; L26-M232 HydrophobicContact CG-CG 4.48Å; L26-L235 HydrophobicContact CB-CD1 3.37Å; L26-L235 HydrophobicContact CD1-CD1 4.4Å
27R89.8Confident80Confident143 Ų14374.4 Ų74.454%0.5435%0.347SS..Hα-helixtrans-61-49175.6179.2179.8177175.7-0.1110.7W23 I24 E25 F29 Y30 T31 L235W23-R27 VanDerWaalsContact O-CB 3.22Å; W23-R27 WeakPolarHBondContact O-CB 3.2Å; W23-R27 PolarHBondContact O-N 2.98Å; I24-R27 PolarHBondContact O-N 2.97Å; E25-R27 PolarHBondContact O-N 3.17Å; R27-F29 PolarHBondContact O-N 3.33Å; R27-Y30 PolarHBondContact O-N 2.91Å; R27-Y30 VanDerWaalsContact O-N 3.14Å; R27-T31 HydrophobicContact CG-CG2 4.08Å; R27-T31 WeakPolarHBondContact O-CG2 2.83Å; R27-T31 PolarHBondContact O-N 2.92Å; R27-T31 PolarHBondContact O-OG1 2.96Å; R27-L235 HydrophobicContact CB-CD2 4.13Å; R27-L235 HydrophobicContact CG-CD2 4.46Å
28S85.1Confident77.8Confident49 Ų4982.8 Ų82.834%0.34339%0.386SS..Hα-helixtrans-57.5-39178.8-1680000112.1I24 E25 H36I24-S28 WeakPolarHBondContact O-CB 3.49Å; I24-S28 PolarHBondContact O-N 3.36Å; E25-S28 WeakPolarHBondContact O-CB 3.26Å; E25-S28 PolarHBondContact O-N 3.45Å; E25-S28 VanDerWaalsContact O-N 3.1Å; S28-H36 PolarHBondContact OG-NE2 3.04Å
29F86.3Confident75.7Confident113 Ų11388 Ų8850%0.49641%0.414SS..Hα-helixtrans-63.4-44.9175.5177.8-100.7000112.4E25 L26 R27 L168E25-F29 PolarHBondContact O-N 2.97Å; L26-F29 PolarHBondContact O-N 3.5Å; R27-F29 PolarHBondContact O-N 3.33Å; F29-L168 HydrophobicContact CD1-CD2 4.06Å; F29-L168 HydrophobicContact CD2-CD2 3.76Å; F29-L168 HydrophobicContact CE1-CD2 4.02Å; F29-L168 HydrophobicContact CE2-CD2 3.72Å; F29-L168 HydrophobicContact CG-CD2 3.92Å; F29-L168 HydrophobicContact CZ-CD2 3.85Å
30Y83.8Confident73.8Confident46 Ų4689.8 Ų89.818%0.1842%0.419CS..Hα-helixtrans-77.9-29.4-178.5-80-69.7000114.3L26 R27 L235 N239L26-Y30 WeakPolarHBondContact O-CD2 3.29Å; L26-Y30 PolarHBondContact O-N 2.95Å; L26-Y30 VanDerWaalsContact O-N 3.09Å; R27-Y30 PolarHBondContact O-N 2.91Å; R27-Y30 VanDerWaalsContact O-N 3.14Å; Y30-L235 HydrophobicContact CD2-CB 3.53Å; Y30-L235 HydrophobicContact CD2-CD1 4.38Å; Y30-L235 HydrophobicContact CE2-CB 3.95Å; Y30-L235 HydrophobicContact CG-CB 4.23Å; Y30-N239 VanDerWaalsContact O-CG 3.25Å; Y30-N239 PolarHBondContact O-ND2 3.49Å; Y30-N239 PolarHBondContact O-OD1 3.24Å
31T77.2Confident72.1Confident60 Ų6091.3 Ų91.337%0.36844%0.437SS..Hα-helixtrans-85.2-10.4-172.650.80000114.4R27 E33R27-T31 HydrophobicContact CG-CG2 4.08Å; R27-T31 WeakPolarHBondContact O-CG2 2.83Å; R27-T31 PolarHBondContact O-N 2.92Å; R27-T31 PolarHBondContact O-OG1 2.96Å; T31-E33 PolarHBondContact O-N 3Å
32E64.1Low70.4Confident164 Ų16497.9 Ų97.977%0.76647%0.465SS*.  trans24.559.5-171.3-73.8-155.217100111.6Y34E32-Y34 PolarHBondContact O-N 3.5Å
33E57.1Low69Low102 Ų102102 Ų10248%0.47749%0.487SS..  trans-71.582.7-175.1-165.5173.4-177.700107.5T31 N35 H36T31-E33 PolarHBondContact O-N 3Å; E33-N35 PolarHBondContact O-N 2.89Å; E33-H36 WeakPolarHBondContact O-CB 3.16Å; E33-H36 PolarHBondContact O-CD2 2.97Å; E33-H36 VanDerWaalsContact O-CG 3.23Å; E33-H36 PolarHBondContact O-N 3.17Å
34Y47.1Very low68Low222 Ų222101.3 Ų101.387%0.87149%0.489SS*.THydrogen-bonded Turntrans-56.7-12.9-171.3-167.8-97.4000113.3E32 H36E32-Y34 PolarHBondContact O-N 3.5Å; Y34-H36 PolarHBondContact O-N 3.37Å
35N50.2Low67.4Low131 Ų131101.2 Ų101.270%0.70149%0.489SS*.THydrogen-bonded Turntrans-8526.9176.3-68.6-26.4000113.7E33 N37E33-N35 PolarHBondContact O-N 2.89Å; N35-N37 PolarHBondContact O-N 3.47Å; N35-N37 VanDerWaalsContact O-N 3.09Å
36H50.8Low67.1Low57 Ų57106.5 Ų106.526%0.26451%0.511SS..THydrogen-bonded Turntrans-76.84.8-151.9-129.9-50000117.7S28 E33 Y34 K40S28-H36 PolarHBondContact OG-NE2 3.04Å; E33-H36 WeakPolarHBondContact O-CB 3.16Å; E33-H36 PolarHBondContact O-CD2 2.97Å; E33-H36 VanDerWaalsContact O-CG 3.23Å; E33-H36 PolarHBondContact O-N 3.17Å; Y34-H36 PolarHBondContact O-N 3.37Å; H36-K40 WeakPolarHBondContact O-CB 3.31Å; H36-K40 WeakPolarHBondContact O-CD 3.35Å
37N52.4Low66.7Low141 Ų141109 Ų10975%0.75453%0.525SS*.THydrogen-bonded Turntrans-95.3-48-171.2-71.5-15.2000114.3N35N35-N37 PolarHBondContact O-N 3.47Å; N35-N37 VanDerWaalsContact O-N 3.09Å
38Q47.1Very low66.4Low179 Ų179104.1 Ų104.184%0.83651%0.509SS*.Hα-helixtrans-81.1-45.3-176.4-84.9-169.8-1.600113.8K40 S41Q38-K40 PolarHBondContact O-N 3.35Å; Q38-S41 PolarHBondContact O-N 2.78Å
39L52.2Low66.6Low110 Ų110104.4 Ų104.458%0.57651%0.507SS*.Hα-helixtrans-65.8-29.3177.8-74.4168.6000112N43L39-N43 WeakPolarHBondContact O-CB 3.32Å; L39-N43 PolarHBondContact O-N 3.32Å; L39-N43 VanDerWaalsContact O-N 3.14Å; L39-N43 PolarHBondContact O-ND2 3.04Å
40K57.5Low66.8Low93 Ų93106.3 Ų106.340%0.40451%0.51SS..Hα-helixtrans-64.9-48.6178-176.6177.7-169.4172.20112.1H36 Q38 K42 N43 D44H36-K40 WeakPolarHBondContact O-CB 3.31Å; H36-K40 WeakPolarHBondContact O-CD 3.35Å; Q38-K40 PolarHBondContact O-N 3.35Å; K40-K42 PolarHBondContact O-N 3.38Å; K40-N43 PolarHBondContact O-N 3.48Å; K40-D44 VanDerWaalsContact CG-OD2 3.29Å; K40-D44 WeakPolarHBondContact CG-OD2 3.27Å; K40-D44 VanDerWaalsContact O-CB 3.23Å; K40-D44 WeakPolarHBondContact O-CB 3.32Å; K40-D44 PolarHBondContact O-N 3.06Å
41S58.7Low67.2Low84 Ų84105.1 Ų105.159%0.58751%0.507SS*.Hα-helixtrans-56.3-46.3-179.9176.20000113.3Q38 D44 L45Q38-S41 PolarHBondContact O-N 2.78Å; S41-D44 PolarHBondContact O-N 3.17Å; S41-L45 PolarHBondContact O-N 3.01Å; S41-L45 VanDerWaalsContact O-N 3.09Å
42K57.4Low67.9Low166 Ų166102.3 Ų102.372%0.72249%0.489SS*.Hα-helixtrans-68.3-40.7178.9-170.3176.6-178.6177.70112.4K40 K46K40-K42 PolarHBondContact O-N 3.38Å; K42-K46 PolarHBondContact O-N 3.37Å
43N67.1Low69.4Low87 Ų8798.4 Ų98.447%0.46547%0.473SS..Hα-helixtrans-68.9-36177.3-75.7-23000111.8L39 K40 K46 N47L39-N43 WeakPolarHBondContact O-CB 3.32Å; L39-N43 PolarHBondContact O-N 3.32Å; L39-N43 VanDerWaalsContact O-N 3.14Å; L39-N43 PolarHBondContact O-ND2 3.04Å; K40-N43 PolarHBondContact O-N 3.48Å; N43-K46 PolarHBondContact O-N 2.96Å; N43-N47 VanDerWaalsContact O-CB 3.29Å; N43-N47 WeakPolarHBondContact O-CB 3.5Å; N43-N47 PolarHBondContact O-N 3.24Å; N43-N47 PolarHBondContact O-ND2 2.89Å; N43-N47 VanDerWaalsContact O-ND2 3.15Å
44D73.3Confident71Confident67 Ų6796.1 Ų96.136%0.35846%0.462SS..Hα-helixtrans-64.8-46.5177.9-72.5-5.6000110.7K40 S41 K46 N47 N48K40-D44 VanDerWaalsContact CG-OD2 3.29Å; K40-D44 WeakPolarHBondContact CG-OD2 3.27Å; K40-D44 VanDerWaalsContact O-CB 3.23Å; K40-D44 WeakPolarHBondContact O-CB 3.32Å; K40-D44 PolarHBondContact O-N 3.06Å; S41-D44 PolarHBondContact O-N 3.17Å; D44-K46 VanDerWaalsContact C-N 3.34Å; D44-K46 PolarHBondContact O-N 2.68Å; D44-N47 PolarHBondContact O-N 3.09Å; D44-N48 VanDerWaalsContact O-CB 3.22Å; D44-N48 WeakPolarHBondContact O-CB 3.24Å; D44-N48 PolarHBondContact O-N 2.97Å; D44-N48 PolarHBondContact O-ND2 3.02Å
45L77.4Confident73.2Confident69 Ų6986.6 Ų86.636%0.36142%0.424SS..Hα-helixtrans-60.1-44.5175.4-178.163.5000111.8S41 N48 L49S41-L45 PolarHBondContact O-N 3.01Å; S41-L45 VanDerWaalsContact O-N 3.09Å; L45-N48 PolarHBondContact O-N 3.48Å; L45-L49 WeakPolarHBondContact O-CB 3.37Å; L45-L49 PolarHBondContact O-N 3Å
46K83.4Confident75.4Confident153 Ų15382 Ų8267%0.66540%0.399SS*.Hα-helixtrans-64.7-42.1178.8-175.2178.7178.5-179.40111.9K42 N43 D44 R50K42-K46 PolarHBondContact O-N 3.37Å; N43-K46 PolarHBondContact O-N 2.96Å; D44-K46 VanDerWaalsContact C-N 3.34Å; D44-K46 PolarHBondContact O-N 2.68Å; K46-R50 WeakPolarHBondContact O-CB 3.36Å; K46-R50 PolarHBondContact O-N 3.4Å
47N82.4Confident77.4Confident53 Ų5382.5 Ų82.528%0.28341%0.406SS..Hα-helixtrans-67.3-43.1177.5-71.9-26.1000111N43 D44 L49 R50 E51N43-N47 VanDerWaalsContact O-CB 3.29Å; N43-N47 WeakPolarHBondContact O-CB 3.5Å; N43-N47 PolarHBondContact O-N 3.24Å; N43-N47 PolarHBondContact O-ND2 2.89Å; N43-N47 VanDerWaalsContact O-ND2 3.15Å; D44-N47 PolarHBondContact O-N 3.09Å; N47-L49 PolarHBondContact O-N 2.86Å; N47-R50 PolarHBondContact O-N 2.89Å; N47-E51 WeakPolarHBondContact O-CB 3.41Å; N47-E51 WeakPolarHBondContact O-CG 3.49Å; N47-E51 PolarHBondContact O-N 3.3Å
48N84.1Confident79.3Confident41 Ų4176.1 Ų76.122%0.21937%0.372CS..Hα-helixtrans-59-46.1174.8-73.9-16.3000111.4D44 L45 E51 S52 R99D44-N48 VanDerWaalsContact O-CB 3.22Å; D44-N48 WeakPolarHBondContact O-CB 3.24Å; D44-N48 PolarHBondContact O-N 2.97Å; D44-N48 PolarHBondContact O-ND2 3.02Å; L45-N48 PolarHBondContact O-N 3.48Å; N48-E51 PolarHBondContact O-N 2.94Å; N48-S52 VanDerWaalsContact O-CB 3.31Å; N48-S52 WeakPolarHBondContact O-CB 3.31Å; N48-S52 PolarHBondContact O-N 3.47Å; N48-S52 PolarHBondContact O-OG 2.96Å; N48-R99 PolarHBondContact OD1-NH2 3.37Å
49L90.2Very high81.4Confident54 Ų5467.6 Ų67.628%0.28333%0.333SS..Hα-helixtrans-63.4-46.5177.4-178.661.9000111.6L45 N47 E51 S52 I53 I100L45-L49 WeakPolarHBondContact O-CB 3.37Å; L45-L49 PolarHBondContact O-N 3Å; N47-L49 PolarHBondContact O-N 2.86Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.47Å; L49-S52 PolarHBondContact O-N 3.09Å; L49-I53 HydrophobicContact CD1-CD1 3.96Å; L49-I53 HydrophobicContact CD1-CG1 4.2Å; L49-I53 HydrophobicContact CG-CD1 3.86Å; L49-I53 HydrophobicContact CG-CG1 4.48Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.32Å; L49-I53 PolarHBondContact O-N 3.36Å; L49-I100 HydrophobicContact CD1-CD1 4.1Å; L49-I100 HydrophobicContact CD1-CG1 4.04Å
50R90.4Very high83.4Confident153 Ų15366.2 Ų66.258%0.57733%0.325SS*.Hα-helixtrans-59.3-44.3178.7-176.7-178177.6-173.30.9111.8K46 N47 F54K46-R50 WeakPolarHBondContact O-CB 3.36Å; K46-R50 PolarHBondContact O-N 3.4Å; N47-R50 PolarHBondContact O-N 2.89Å; R50-F54 WeakPolarHBondContact O-CB 2.88Å; R50-F54 PolarHBondContact O-N 2.93Å; R50-F54 VanDerWaalsContact O-N 3.09Å
51E90.5Very high84.9Confident22 Ų2264.3 Ų64.310%0.10332%0.319CS..Hα-helixtrans-65.3-43.6176.2-77.2-173-175.300112.4I17 R20 N21 N47 N48 L49 I53 F54 Y55 R99I17-E51 HydrophobicContact CD1-CB 4.43Å; I17-E51 HydrophobicContact CD1-CG 4.02Å; R20-E51 IonicContact CZ-OE1 3.7Å; R20-E51 IonicContact NH2-OE1 2.81Å; R20-E51 PolarHBondContact NH2-OE1 3.14Å; N21-E51 VanDerWaalsContact CG-OE1 3.24Å; N21-E51 PolarHBondContact ND2-OE1 3.29Å; N21-E51 PolarHBondContact OD1-OE1 2.7Å; N47-E51 WeakPolarHBondContact O-CB 3.41Å; N47-E51 WeakPolarHBondContact O-CG 3.49Å; N47-E51 PolarHBondContact O-N 3.3Å; N48-E51 PolarHBondContact O-N 2.94Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-E51 PolarHBondContact O-N 3.47Å; E51-I53 PolarHBondContact O-N 3.45Å; E51-F54 WeakPolarHBondContact O-CA 3.42Å; E51-F54 VanDerWaalsContact O-CB 3.27Å; E51-F54 WeakPolarHBondContact O-CB 3.36Å; E51-F54 PolarHBondContact O-N 3.1Å; E51-F54 VanDerWaalsContact O-N 3.11Å; E51-Y55 WeakPolarHBondContact O-CD2 3.38Å; E51-Y55 PolarHBondContact O-N 2.89Å; E51-R99 VanDerWaalsContact CB-NH1 3.33Å; E51-R99 IonicContact OE2-CZ 3.19Å; E51-R99 IonicContact OE2-NH1 3.92Å; E51-R99 PolarHBondContact OE2-NH1 3.15Å; E51-R99 IonicContact OE2-NH2 3.55Å; E51-R99 PolarHBondContact OE2-NH2 3.21Å
52S93.6Very high86.4Confident0 Ų060.4 Ų60.40%029%0.291CS..Hα-helixtrans-63.9-44-179.2-55.20000111.9N48 L49 F54 Y55 I56 G96 R99N48-S52 VanDerWaalsContact O-CB 3.31Å; N48-S52 WeakPolarHBondContact O-CB 3.31Å; N48-S52 PolarHBondContact O-N 3.47Å; N48-S52 PolarHBondContact O-OG 2.96Å; L49-S52 PolarHBondContact O-N 3.09Å; S52-F54 PolarHBondContact O-N 2.93Å; S52-Y55 PolarHBondContact O-N 2.92Å; S52-I56 WeakPolarHBondContact O-CG1 3.22Å; S52-I56 PolarHBondContact O-N 3.33Å; S52-I56 VanDerWaalsContact O-N 3.09Å; S52-G96 WeakPolarHBondContact CB-O 3.42Å; S52-R99 WeakPolarHBondContact OG-CB 3.19Å; S52-R99 WeakPolarHBondContact OG-CD 3.21Å; S52-R99 VanDerWaalsContact OG-CG 3.29Å; S52-R99 WeakPolarHBondContact OG-CG 3.5Å
53I94.3Very high87.9Confident83 Ų8353.1 Ų53.143%0.42626%0.261SS..Hα-helixtrans-59-41.1173.2-68.6168.6000110.2L49 E51 Y55 I56 V57L49-I53 HydrophobicContact CD1-CD1 3.96Å; L49-I53 HydrophobicContact CD1-CG1 4.2Å; L49-I53 HydrophobicContact CG-CD1 3.86Å; L49-I53 HydrophobicContact CG-CG1 4.48Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.32Å; L49-I53 PolarHBondContact O-N 3.36Å; E51-I53 PolarHBondContact O-N 3.45Å; I53-Y55 PolarHBondContact O-N 2.92Å; I53-I56 PolarHBondContact O-N 3.15Å; I53-V57 HydrophobicContact CG2-CG2 4.1Å; I53-V57 WeakPolarHBondContact O-CB 3.37Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.48Å
54F91.4Very high88.8Confident54 Ų5454 Ų5424%0.23727%0.265CS..Hα-helixtrans-60.9-43.6178.3-176.9-91.8000112.6F13 I17 R50 E51 S52 T58F13-F54 HydrophobicContact CB-CE1 3.81Å; F13-F54 HydrophobicContact CB-CE2 4.48Å; F13-F54 HydrophobicContact CB-CZ 3.47Å; F13-F54 VanDerWaalsContact CB-CZ 3.47Å; F13-F54 HydrophobicContact CD1-CE2 4.22Å; F13-F54 AromaticContact CD1-CZ 3.96Å; F13-F54 HydrophobicContact CD1-CZ 3.96Å; F13-F54 HydrophobicContact CG-CE1 4.46Å; F13-F54 HydrophobicContact CG-CE2 4.39Å; F13-F54 AromaticContact CG-CZ 3.81Å; F13-F54 HydrophobicContact CG-CZ 3.81Å; F13-F54 WeakPolarHBondContact O-CE1 3.36Å; F13-F54 WeakPolarHBondContact O-CZ 3.44Å; I17-F54 HydrophobicContact CB-CD1 4.39Å; I17-F54 HydrophobicContact CB-CE1 3.9Å; I17-F54 HydrophobicContact CB-CZ 4.41Å; I17-F54 HydrophobicContact CD1-CD1 3.55Å; I17-F54 HydrophobicContact CD1-CE1 3.94Å; I17-F54 HydrophobicContact CD1-CG 4.26Å; I17-F54 HydrophobicContact CG2-CE1 4.23Å; R50-F54 WeakPolarHBondContact O-CB 2.88Å; R50-F54 PolarHBondContact O-N 2.93Å; R50-F54 VanDerWaalsContact O-N 3.09Å; E51-F54 WeakPolarHBondContact O-CA 3.42Å; E51-F54 VanDerWaalsContact O-CB 3.27Å; E51-F54 WeakPolarHBondContact O-CB 3.36Å; E51-F54 PolarHBondContact O-N 3.1Å; E51-F54 VanDerWaalsContact O-N 3.11Å; S52-F54 PolarHBondContact O-N 2.93Å; F54-T58 VanDerWaalsContact O-CB 3.24Å; F54-T58 WeakPolarHBondContact O-CB 3.33Å; F54-T58 PolarHBondContact O-N 3.12Å; F54-T58 PolarHBondContact O-OG1 3.49Å
55Y93.4Very high89.3Confident21 Ų2152.6 Ų52.68%0.08226%0.258CS..Hα-helixtrans-61.9-44.2174.6-77.8-73.2000112.4I17 E51 S52 I53 T58 G59 L92 Y95 M121I17-Y55 HydrophobicContact CD1-CE2 4.05Å; E51-Y55 WeakPolarHBondContact O-CD2 3.38Å; E51-Y55 PolarHBondContact O-N 2.89Å; S52-Y55 PolarHBondContact O-N 2.92Å; I53-Y55 PolarHBondContact O-N 2.92Å; Y55-T58 PolarHBondContact O-N 3.4Å; Y55-G59 PolarHBondContact O-N 3.36Å; Y55-L92 HydrophobicContact CD1-CD2 3.7Å; Y55-L92 HydrophobicContact CE1-CD2 4.09Å; Y55-Y95 HydrophobicContact CD1-CD1 4.09Å; Y55-Y95 HydrophobicContact CD1-CE1 4.45Å; Y55-Y95 AromaticContact CD2-CD1 3.85Å; Y55-Y95 HydrophobicContact CD2-CD1 3.85Å; Y55-Y95 AromaticContact CD2-CE1 3.64Å; Y55-Y95 HydrophobicContact CD2-CE1 3.64Å; Y55-Y95 HydrophobicContact CE1-CD1 4.27Å; Y55-Y95 HydrophobicContact CE1-CE1 4.3Å; Y55-Y95 HydrophobicContact CE2-CD1 4.09Å; Y55-Y95 AromaticContact CE2-CE1 3.51Å; Y55-Y95 HydrophobicContact CE2-CE1 3.51Å; Y55-Y95 AromaticContact CG-CD1 3.88Å; Y55-Y95 HydrophobicContact CG-CD1 3.88Å; Y55-Y95 HydrophobicContact CG-CE1 4.15Å; Y55-Y95 AromaticContact CZ-CE1 3.85Å; Y55-M121 HydrophobicContact CE1-CE 4.28Å
56I95.8Very high89.5Confident34 Ų3449.8 Ų49.817%0.17424%0.243CC..Hα-helixtrans-62.7-51.4179-65.7166.1000110.7S52 I53 T58 G59 I60 V97 I100S52-I56 WeakPolarHBondContact O-CG1 3.22Å; S52-I56 PolarHBondContact O-N 3.33Å; S52-I56 VanDerWaalsContact O-N 3.09Å; I53-I56 PolarHBondContact O-N 3.15Å; I56-T58 VanDerWaalsContact C-N 3.32Å; I56-T58 PolarHBondContact O-N 3.18Å; I56-G59 PolarHBondContact O-N 2.71Å; I56-I60 HydrophobicContact CG2-CD1 3.75Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.23Å; I56-I60 PolarHBondContact O-N 3.38Å; I56-V97 HydrophobicContact CD1-CG2 3.87Å; I56-V97 HydrophobicContact CG1-CG2 4.15Å; I56-I100 HydrophobicContact CD1-CD1 3.74Å
57V93.6Very high89.5Confident69 Ų6945.3 Ų45.342%0.41823%0.225SC..Hα-helixtrans-61.4-42.8-179.8170.60000110.8I53 I60 I61I53-V57 HydrophobicContact CG2-CG2 4.1Å; I53-V57 WeakPolarHBondContact O-CB 3.37Å; I53-V57 WeakPolarHBondContact O-CG2 3.37Å; I53-V57 PolarHBondContact O-N 3.48Å; V57-I60 PolarHBondContact O-N 3.43Å; V57-I61 HydrophobicContact CG1-CD1 3.67Å; V57-I61 HydrophobicContact CG1-CG1 4.35Å; V57-I61 VanDerWaalsContact O-CG1 3.32Å; V57-I61 WeakPolarHBondContact O-CG1 3.47Å; V57-I61 PolarHBondContact O-N 3.44Å
58T91.3Very high89.3Confident7 Ų747.3 Ų47.34%0.04324%0.236CC..Hα-helixtrans-57.2-51.8175.4-65.40000111.2F13 F54 Y55 I56 I60 I61 C62F13-T58 HydrophobicContact CB-CG2 4.36Å; F13-T58 HydrophobicContact CD2-CG2 3.59Å; F13-T58 WeakPolarHBondContact CD2-OG1 3.46Å; F13-T58 HydrophobicContact CE2-CG2 4.37Å; F13-T58 HydrophobicContact CG-CG2 4.46Å; F54-T58 VanDerWaalsContact O-CB 3.24Å; F54-T58 WeakPolarHBondContact O-CB 3.33Å; F54-T58 PolarHBondContact O-N 3.12Å; F54-T58 PolarHBondContact O-OG1 3.49Å; Y55-T58 PolarHBondContact O-N 3.4Å; I56-T58 VanDerWaalsContact C-N 3.32Å; I56-T58 PolarHBondContact O-N 3.18Å; T58-I60 VanDerWaalsContact C-N 3.33Å; T58-I60 PolarHBondContact O-N 2.94Å; T58-I61 PolarHBondContact O-N 3.28Å; T58-C62 WeakPolarHBondContact O-CB 3.21Å; T58-C62 PolarHBondContact O-N 3.19Å; T58-C62 PolarHBondContact O-SG 2.75Å
59G92.3Very high88.7Confident0 Ų047.1 Ų47.10%024%0.237CC..Hα-helixtrans-63.8-37-17900000113Y55 I56 S63Y55-G59 PolarHBondContact O-N 3.36Å; I56-G59 PolarHBondContact O-N 2.71Å; G59-S63 VanDerWaalsContact O-CB 3.29Å; G59-S63 WeakPolarHBondContact O-CB 3.37Å; G59-S63 PolarHBondContact O-N 3.02Å; G59-S63 PolarHBondContact O-OG 3.28Å
60I92.9Very high87.7Confident81 Ų8146.4 Ų46.442%0.41524%0.236SC..Hα-helixtrans-64.5-50.7174.5-67.6168.6000110.8I56 V57 T58 C62 S63 L64 I93I56-I60 HydrophobicContact CG2-CD1 3.75Å; I56-I60 HydrophobicContact CG2-CG1 4.48Å; I56-I60 VanDerWaalsContact O-CG1 3.32Å; I56-I60 WeakPolarHBondContact O-CG1 3.23Å; I56-I60 PolarHBondContact O-N 3.38Å; V57-I60 PolarHBondContact O-N 3.43Å; T58-I60 VanDerWaalsContact C-N 3.33Å; T58-I60 PolarHBondContact O-N 2.94Å; I60-C62 VanDerWaalsContact C-N 3.3Å; I60-C62 PolarHBondContact O-N 3.5Å; I60-S63 PolarHBondContact O-N 3.44Å; I60-L64 HydrophobicContact CG2-CD1 3.98Å; I60-L64 HydrophobicContact CG2-CG 4.38Å; I60-L64 WeakPolarHBondContact O-CG 3.44Å; I60-L64 PolarHBondContact O-N 2.92Å; I60-I93 HydrophobicContact CG1-CD1 4.03Å; I60-I93 HydrophobicContact CG1-CG1 4.47Å
61I90.6Very high86.9Confident53 Ų5345.3 Ų45.327%0.27224%0.241SC..Hα-helixtrans-59-44179.5-69.4170.3000110.6Y9 F13 V57 T58 L64 N65Y9-I61 HydrophobicContact CD2-CG2 4.46Å; Y9-I61 HydrophobicContact CG-CG2 4.46Å; F13-I61 HydrophobicContact CE2-CD1 4.38Å; F13-I61 HydrophobicContact CZ-CD1 4.42Å; V57-I61 HydrophobicContact CG1-CD1 3.67Å; V57-I61 HydrophobicContact CG1-CG1 4.35Å; V57-I61 VanDerWaalsContact O-CG1 3.32Å; V57-I61 WeakPolarHBondContact O-CG1 3.47Å; V57-I61 PolarHBondContact O-N 3.44Å; T58-I61 PolarHBondContact O-N 3.28Å; I61-L64 PolarHBondContact O-N 3.41Å; I61-N65 PolarHBondContact O-N 3.48Å; I61-N65 PolarHBondContact O-ND2 2.91Å
62C89.2Confident86Confident2 Ų249.4 Ų49.41%0.01426%0.262CS..Hα-helixtrans-67-40.2179.5-62.10000111.7T58 I60 L64 N65 E66 F89T58-C62 WeakPolarHBondContact O-CB 3.21Å; T58-C62 PolarHBondContact O-N 3.19Å; T58-C62 PolarHBondContact O-SG 2.75Å; I60-C62 VanDerWaalsContact C-N 3.3Å; I60-C62 PolarHBondContact O-N 3.5Å; C62-L64 PolarHBondContact O-N 3.24Å; C62-N65 PolarHBondContact O-N 3.46Å; C62-E66 PolarHBondContact O-N 3.3Å; C62-F89 HydrophobicContact CB-CD1 3.46Å; C62-F89 VanDerWaalsContact CB-CD1 3.46Å; C62-F89 HydrophobicContact CB-CD2 3.76Å; C62-F89 HydrophobicContact CB-CE1 3.44Å; C62-F89 VanDerWaalsContact CB-CE1 3.44Å; C62-F89 HydrophobicContact CB-CE2 3.71Å; C62-F89 HydrophobicContact CB-CG 3.65Å; C62-F89 HydrophobicContact CB-CZ 3.57Å; C62-F89 WeakPolarHBondContact O-CE2 3.48Å
63S88.3Confident84.7Confident12 Ų1257 Ų578%0.08429%0.292CS..Hα-helixtrans-61.6-43.5175.3-58.60000111.9G59 I60 N65 E66 I67 F89G59-S63 VanDerWaalsContact O-CB 3.29Å; G59-S63 WeakPolarHBondContact O-CB 3.37Å; G59-S63 PolarHBondContact O-N 3.02Å; G59-S63 PolarHBondContact O-OG 3.28Å; I60-S63 PolarHBondContact O-N 3.44Å; S63-N65 VanDerWaalsContact C-N 3.31Å; S63-N65 PolarHBondContact O-N 3.03Å; S63-E66 PolarHBondContact O-N 3.4Å; S63-I67 WeakPolarHBondContact O-CG1 3.43Å; S63-I67 PolarHBondContact O-N 2.88Å; S63-F89 VanDerWaalsContact OG-CB 3.31Å; S63-F89 WeakPolarHBondContact OG-CB 3.29Å
64L86.9Confident82.9Confident105 Ų10559.4 Ų59.455%0.5531%0.306SS..Hα-helixtrans-63.3-37.9176.6-69.4173.9000112I60 I61 C62 E66 I67 L68I60-L64 HydrophobicContact CG2-CD1 3.98Å; I60-L64 HydrophobicContact CG2-CG 4.38Å; I60-L64 WeakPolarHBondContact O-CG 3.44Å; I60-L64 PolarHBondContact O-N 2.92Å; I61-L64 PolarHBondContact O-N 3.41Å; C62-L64 PolarHBondContact O-N 3.24Å; L64-E66 PolarHBondContact O-N 2.95Å; L64-I67 PolarHBondContact O-N 3.5Å; L64-L68 WeakPolarHBondContact O-CB 3.39Å; L64-L68 PolarHBondContact O-N 2.98Å
65N84.4Confident81.2Confident39 Ų3962 Ų6221%0.20932%0.319CS..Hα-helixtrans-68.1-21.4176.6-81.6-71.4000113.5I61 C62 S63 P69I61-N65 PolarHBondContact O-N 3.48Å; I61-N65 PolarHBondContact O-ND2 2.91Å; C62-N65 PolarHBondContact O-N 3.46Å; S63-N65 VanDerWaalsContact C-N 3.31Å; S63-N65 PolarHBondContact O-N 3.03Å; N65-P69 WeakPolarHBondContact O-CD 3.5Å; N65-P69 WeakPolarHBondContact O-CG 3.28Å
66E81.5Confident79.1Confident10 Ų1070.7 Ų70.75%0.04735%0.353CS..Hα-helixtrans-88.6-39174.4-166.270.7-145.100111.5M1 C62 S63 L64 F78 S82 H85 M86 F89M1-E66 PolarHBondContact N-OE1 3.17Å; C62-E66 PolarHBondContact O-N 3.3Å; S63-E66 PolarHBondContact O-N 3.4Å; L64-E66 PolarHBondContact O-N 2.95Å; E66-F78 HydrophobicContact CG-CZ 4.25Å; E66-S82 VanDerWaalsContact OE1-CA 3.3Å; E66-S82 WeakPolarHBondContact OE1-CA 3.41Å; E66-S82 WeakPolarHBondContact OE1-CB 3.39Å; E66-S82 PolarHBondContact OE1-OG 2.96Å; E66-H85 HydrophobicContact CG-CB 4.34Å; E66-H85 IonicContact OE1-ND1 2.76Å; E66-H85 IonicContact OE2-CG 3.71Å; E66-H85 IonicContact OE2-ND1 2.7Å; E66-H85 PolarHBondContact OE2-ND1 2.8Å; E66-M86 HydrophobicContact CB-SD 4.08Å; E66-M86 HydrophobicContact CG-CG 4.35Å; E66-M86 HydrophobicContact CG-SD 4.39Å; E66-F89 HydrophobicContact CB-CE2 4.37Å
67I82Confident77Confident58 Ų5878.1 Ų78.130%0.29738%0.38SS..Hα-helixtrans-72-44-179.8-66.3167.4000111.7S63 L64 C70 L71 M86S63-I67 WeakPolarHBondContact O-CG1 3.43Å; S63-I67 PolarHBondContact O-N 2.88Å; L64-I67 PolarHBondContact O-N 3.5Å; I67-C70 WeakPolarHBondContact O-CA 3.38Å; I67-C70 WeakPolarHBondContact O-CB 3.26Å; I67-C70 PolarHBondContact O-N 2.88Å; I67-L71 HydrophobicContact CG2-CD1 3.6Å; I67-L71 HydrophobicContact CG2-CG 3.84Å; I67-L71 PolarHBondContact O-N 3.14Å; I67-M86 HydrophobicContact CD1-CE 3.55Å; I67-M86 HydrophobicContact CD1-SD 4.37Å; I67-M86 HydrophobicContact CG1-CE 3.81Å; I67-M86 HydrophobicContact CG1-SD 4.09Å
68L79.3Confident75.1Confident96 Ų9676.7 Ų76.750%0.50337%0.368SS..Hα-helixtrans-60.4-45-170.5-17865.3000113L64 C70 L71 I72L64-L68 WeakPolarHBondContact O-CB 3.39Å; L64-L68 PolarHBondContact O-N 2.98Å; L68-C70 VanDerWaalsContact C-N 3.29Å; L68-C70 PolarHBondContact O-N 3.49Å; L68-L71 PolarHBondContact O-N 2.98Å; L68-I72 HydrophobicContact CD1-CD1 3.71Å; L68-I72 HydrophobicContact CD1-CG1 4.03Å; L68-I72 HydrophobicContact CD2-CD1 4.29Å; L68-I72 HydrophobicContact CG-CD1 3.65Å; L68-I72 HydrophobicContact CG-CG1 4.32Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.37Å; L68-I72 PolarHBondContact O-N 2.67Å
69P70.8Confident73.7Confident37 Ų3777.6 Ų77.624%0.2438%0.379CS..Hα-helixtrans-58.8-39.1172.4-24.935.7000112.9N65 L71 I72 Y73N65-P69 WeakPolarHBondContact O-CD 3.5Å; N65-P69 WeakPolarHBondContact O-CG 3.28Å; P69-L71 VanDerWaalsContact C-N 3.3Å; P69-L71 PolarHBondContact O-N 3.41Å; P69-I72 PolarHBondContact O-N 2.66Å; P69-Y73 HydrophobicContact CB-CD2 4.19Å; P69-Y73 HydrophobicContact CB-CE2 4.47Å; P69-Y73 WeakPolarHBondContact O-CB 3.25Å; P69-Y73 VanDerWaalsContact O-CD2 3.27Å; P69-Y73 WeakPolarHBondContact O-CD2 3.41Å; P69-Y73 PolarHBondContact O-N 3.31Å
70C69.4Low72.3Confident38 Ų3880.1 Ų80.126%0.25741%0.405SS..Hα-helixtrans-68.2-27.8177.6-171.90000113.3I67 L68 Y73 F78I67-C70 WeakPolarHBondContact O-CA 3.38Å; I67-C70 WeakPolarHBondContact O-CB 3.26Å; I67-C70 PolarHBondContact O-N 2.88Å; L68-C70 VanDerWaalsContact C-N 3.29Å; L68-C70 PolarHBondContact O-N 3.49Å; C70-Y73 CarbonylContact C-O 3.34Å; C70-F78 HydrophobicContact CB-CD2 3.75Å; C70-F78 HydrophobicContact CB-CE2 4.26Å; C70-F78 VanDerWaalsContact SG-CD2 3.53Å
71L73.8Confident71.3Confident131 Ų13178.8 Ų78.869%0.68640%0.397SS*.Hα-helixtrans-81.1-31.3175-67178.3000112.6I67 L68 P69I67-L71 HydrophobicContact CG2-CD1 3.6Å; I67-L71 HydrophobicContact CG2-CG 3.84Å; I67-L71 PolarHBondContact O-N 3.14Å; L68-L71 PolarHBondContact O-N 2.98Å; P69-L71 VanDerWaalsContact C-N 3.3Å; P69-L71 PolarHBondContact O-N 3.41Å
72I71.9Confident70.6Confident108 Ų10876.6 Ų76.655%0.55439%0.386SS*.Hα-helixtrans-83.4-50.3-176.7-69.6173.8000111.1L68 P69 D74L68-I72 HydrophobicContact CD1-CD1 3.71Å; L68-I72 HydrophobicContact CD1-CG1 4.03Å; L68-I72 HydrophobicContact CD2-CD1 4.29Å; L68-I72 HydrophobicContact CG-CD1 3.65Å; L68-I72 HydrophobicContact CG-CG1 4.32Å; L68-I72 VanDerWaalsContact O-CG1 3.31Å; L68-I72 WeakPolarHBondContact O-CG1 3.37Å; L68-I72 PolarHBondContact O-N 2.67Å; P69-I72 PolarHBondContact O-N 2.66Å; I72-D74 PolarHBondContact O-N 3.14Å
73Y66.6Low70.2Confident159 Ų15983.3 Ų83.362%0.62441%0.412SS*.SBendtrans-85.5109171.7-56-73.3000104.5P69 C70 E75P69-Y73 HydrophobicContact CB-CD2 4.19Å; P69-Y73 HydrophobicContact CB-CE2 4.47Å; P69-Y73 WeakPolarHBondContact O-CB 3.25Å; P69-Y73 VanDerWaalsContact O-CD2 3.27Å; P69-Y73 WeakPolarHBondContact O-CD2 3.41Å; P69-Y73 PolarHBondContact O-N 3.31Å; C70-Y73 CarbonylContact C-O 3.34Å; Y73-E75 PolarHBondContact O-N 3.3Å
74D56Low70.1Confident134 Ų13484.9 Ų84.972%0.71742%0.418SS*.  trans-64.430.6177.3-158.819.1000112.3I72 Y76I72-D74 PolarHBondContact O-N 3.14Å; D74-Y76 VanDerWaalsContact C-N 3.25Å; D74-Y76 PolarHBondContact O-N 2.75Å
75E55Low70Confident109 Ų10981 Ų8151%0.50940%0.397SS..  trans-69.691.6163.8-63.7-160.3-175.100106.5Y73 Y77Y73-E75 PolarHBondContact O-N 3.3Å; E75-Y77 CarbonylContact O-C 3.55Å; E75-Y77 PolarHBondContact O-N 3.44Å
76Y49.8Very low70Confident203 Ų20380.6 Ų80.680%0.79639%0.394SS*.  trans-44.2-5.1165.2-98.3-98.8000115.2D74 F78D74-Y76 VanDerWaalsContact C-N 3.25Å; D74-Y76 PolarHBondContact O-N 2.75Å; Y76-F78 PolarHBondContact O-N 3.19Å
77Y51.9Low70.4Confident190 Ų19083.1 Ų83.175%0.74541%0.411SS*.  trans-94.979.7171.5-62.3-80.5000109.4E75 G79E75-Y77 CarbonylContact O-C 3.55Å; E75-Y77 PolarHBondContact O-N 3.44Å; Y77-G79 PolarHBondContact O-N 3.31Å
78F54.2Low70.8Confident38 Ų3881.1 Ų81.117%0.16740%0.401CS..  trans-59.581.7144.5-158.9-87.2000106.3E66 C70 Y76 Y83 M86E66-F78 HydrophobicContact CG-CZ 4.25Å; C70-F78 HydrophobicContact CB-CD2 3.75Å; C70-F78 HydrophobicContact CB-CE2 4.26Å; C70-F78 VanDerWaalsContact SG-CD2 3.53Å; Y76-F78 PolarHBondContact O-N 3.19Å; F78-Y83 HydrophobicContact CB-CE2 4.27Å; F78-Y83 AromaticContact CD1-CD1 3.59Å; F78-Y83 HydrophobicContact CD1-CD1 3.59Å; F78-Y83 AromaticContact CD1-CD2 3.67Å; F78-Y83 HydrophobicContact CD1-CD2 3.67Å; F78-Y83 AromaticContact CD1-CE1 3.42Å; F78-Y83 HydrophobicContact CD1-CE1 3.42Å; F78-Y83 VanDerWaalsContact CD1-CE1 3.42Å; F78-Y83 AromaticContact CD1-CE2 3.53Å; F78-Y83 HydrophobicContact CD1-CE2 3.53Å; F78-Y83 AromaticContact CD1-CG 3.7Å; F78-Y83 HydrophobicContact CD1-CG 3.7Å; F78-Y83 AromaticContact CD1-CZ 3.38Å; F78-Y83 AromaticContact CE1-CD1 3.49Å; F78-Y83 HydrophobicContact CE1-CD1 3.49Å; F78-Y83 VanDerWaalsContact CE1-CD1 3.49Å; F78-Y83 HydrophobicContact CE1-CD2 4.21Å; F78-Y83 AromaticContact CE1-CE1 3.69Å; F78-Y83 HydrophobicContact CE1-CE1 3.69Å; F78-Y83 HydrophobicContact CE1-CE2 4.4Å; F78-Y83 AromaticContact CE1-CG 3.76Å; F78-Y83 HydrophobicContact CE1-CG 3.76Å; F78-Y83 HydrophobicContact CG-CE1 4.37Å; F78-Y83 HydrophobicContact CG-CE2 4.35Å; F78-Y83 WeakPolarHBondContact O-CE2 3.33Å; F78-M86 HydrophobicContact CE1-CG 4.01Å; F78-M86 HydrophobicContact CZ-CG 3.5Å; F78-M86 HydrophobicContact CZ-SD 4.43Å
79G61.1Low71.4Confident27 Ų2777.2 Ų77.228%0.27838%0.38SS..  trans-63.2160.5-16900000111Y77 H81 S82 Y83Y77-G79 PolarHBondContact O-N 3.31Å; G79-H81 PolarHBondContact O-N 3.09Å; G79-S82 WeakPolarHBondContact O-CB 3.29Å; G79-S82 PolarHBondContact O-N 3.46Å; G79-Y83 PolarHBondContact O-N 3.28Å
80G63.6Low72.4Confident52 Ų5279.9 Ų79.954%0.53639%0.391SS..Hα-helixtrans-49.5-35.7-178.900000114.2S82 Y83 Q84G80-S82 VanDerWaalsContact C-N 3.34Å; G80-S82 PolarHBondContact O-N 3.42Å; G80-Y83 PolarHBondContact O-N 3.01Å; G80-Q84 PolarHBondContact O-N 3.3Å
81H70.6Confident73.6Confident53 Ų5379 Ų7925%0.24539%0.386CS..Hα-helixtrans-62.2-37.2175.8-60.6-63.6000113.5G79 Y83 Q84 H85 H132G79-H81 PolarHBondContact O-N 3.09Å; H81-Y83 VanDerWaalsContact C-N 3.35Å; H81-Q84 PolarHBondContact O-N 3.16Å; H81-H85 PolarHBondContact O-N 3.21Å; H81-H85 VanDerWaalsContact O-N 3.1Å; H81-H132 PolarHBondContact CE1-O 2.72Å; H81-H132 PolarHBondContact ND1-O 3.08Å
82S77Confident74.4Confident7 Ų773.7 Ų73.75%0.04936%0.359CS..Hα-helixtrans-66.6-37.2178.3-65.40000111.4M1 E66 G79 G80 Q84 H85 M86M1-S82 PolarHBondContact N-OG 3.37Å; E66-S82 VanDerWaalsContact OE1-CA 3.3Å; E66-S82 WeakPolarHBondContact OE1-CA 3.41Å; E66-S82 WeakPolarHBondContact OE1-CB 3.39Å; E66-S82 PolarHBondContact OE1-OG 2.96Å; G79-S82 WeakPolarHBondContact O-CB 3.29Å; G79-S82 PolarHBondContact O-N 3.46Å; G80-S82 VanDerWaalsContact C-N 3.34Å; G80-S82 PolarHBondContact O-N 3.42Å; S82-Q84 PolarHBondContact O-N 2.92Å; S82-H85 PolarHBondContact O-N 3.03Å; S82-M86 VanDerWaalsContact O-CG 3.29Å; S82-M86 WeakPolarHBondContact O-CG 3.49Å; S82-M86 PolarHBondContact O-N 2.88Å
83Y79.4Confident75.6Confident144 Ų14470.6 Ų70.657%0.56534%0.343SS*.Hα-helixtrans-65.9-37.2174.5-72.3-65.6000112.9F78 G79 G80 H81 M86 T87F78-Y83 HydrophobicContact CB-CE2 4.27Å; F78-Y83 AromaticContact CD1-CD1 3.59Å; F78-Y83 HydrophobicContact CD1-CD1 3.59Å; F78-Y83 AromaticContact CD1-CD2 3.67Å; F78-Y83 HydrophobicContact CD1-CD2 3.67Å; F78-Y83 AromaticContact CD1-CE1 3.42Å; F78-Y83 HydrophobicContact CD1-CE1 3.42Å; F78-Y83 VanDerWaalsContact CD1-CE1 3.42Å; F78-Y83 AromaticContact CD1-CE2 3.53Å; F78-Y83 HydrophobicContact CD1-CE2 3.53Å; F78-Y83 AromaticContact CD1-CG 3.7Å; F78-Y83 HydrophobicContact CD1-CG 3.7Å; F78-Y83 AromaticContact CD1-CZ 3.38Å; F78-Y83 AromaticContact CE1-CD1 3.49Å; F78-Y83 HydrophobicContact CE1-CD1 3.49Å; F78-Y83 VanDerWaalsContact CE1-CD1 3.49Å; F78-Y83 HydrophobicContact CE1-CD2 4.21Å; F78-Y83 AromaticContact CE1-CE1 3.69Å; F78-Y83 HydrophobicContact CE1-CE1 3.69Å; F78-Y83 HydrophobicContact CE1-CE2 4.4Å; F78-Y83 AromaticContact CE1-CG 3.76Å; F78-Y83 HydrophobicContact CE1-CG 3.76Å; F78-Y83 HydrophobicContact CG-CE1 4.37Å; F78-Y83 HydrophobicContact CG-CE2 4.35Å; F78-Y83 WeakPolarHBondContact O-CE2 3.33Å; G79-Y83 PolarHBondContact O-N 3.28Å; G80-Y83 PolarHBondContact O-N 3.01Å; H81-Y83 VanDerWaalsContact C-N 3.35Å; Y83-M86 PolarHBondContact O-N 3.36Å; Y83-T87 PolarHBondContact O-N 3.41Å; Y83-T87 PolarHBondContact O-OG1 3.29Å
84Q85.9Confident76.9Confident44 Ų4467.6 Ų67.621%0.20634%0.337CS..Hα-helixtrans-65.2-44.4175.7-71.1172-41.200111.4G80 H81 S82 T87 V88 F131 H132G80-Q84 PolarHBondContact O-N 3.3Å; H81-Q84 PolarHBondContact O-N 3.16Å; S82-Q84 PolarHBondContact O-N 2.92Å; Q84-T87 PolarHBondContact O-N 3.46Å; Q84-V88 PolarHBondContact O-N 3.47Å; Q84-V88 VanDerWaalsContact O-N 3.1Å; Q84-F131 PolarHBondContact NE2-O 2.89Å; Q84-H132 HydrophobicContact CB-CB 4.43Å
85H84.9Confident78.8Confident23 Ų2361.7 Ų61.711%0.10631%0.305CS..Hα-helixtrans-60.9-45.2173.7-67.8176.4000112.1M1 E66 H81 S82 T87 V88 F89 H132M1-H85 PolarHBondContact O-CE1 3.39Å; M1-H85 PolarHBondContact O-ND1 3.09Å; E66-H85 HydrophobicContact CG-CB 4.34Å; E66-H85 IonicContact OE1-ND1 2.76Å; E66-H85 IonicContact OE2-CG 3.71Å; E66-H85 IonicContact OE2-ND1 2.7Å; E66-H85 PolarHBondContact OE2-ND1 2.8Å; H81-H85 PolarHBondContact O-N 3.21Å; H81-H85 VanDerWaalsContact O-N 3.1Å; S82-H85 PolarHBondContact O-N 3.03Å; H85-T87 VanDerWaalsContact C-N 3.25Å; H85-T87 PolarHBondContact O-N 3.45Å; H85-V88 WeakPolarHBondContact O-CB 3.44Å; H85-V88 PolarHBondContact O-N 2.95Å; H85-V88 VanDerWaalsContact O-N 3.14Å; H85-F89 HydrophobicContact CB-CE2 3.84Å; H85-F89 HydrophobicContact CB-CZ 4.07Å; H85-F89 WeakPolarHBondContact O-CD2 3.18Å; H85-F89 VanDerWaalsContact O-CG 3.24Å; H85-F89 WeakPolarHBondContact O-CG 3.41Å; H85-F89 PolarHBondContact O-N 3.49Å; H85-H132 AromaticContact NE2-CD2 3.92Å
86M86.2Confident80.7Confident31 Ų3156.5 Ų56.515%0.15328%0.281CS..Hα-helixtrans-58.2-39.6176.5-73.6-60.8-77.300112.2E66 I67 F78 S82 Y83 F89 I90E66-M86 HydrophobicContact CB-SD 4.08Å; E66-M86 HydrophobicContact CG-CG 4.35Å; E66-M86 HydrophobicContact CG-SD 4.39Å; I67-M86 HydrophobicContact CD1-CE 3.55Å; I67-M86 HydrophobicContact CD1-SD 4.37Å; I67-M86 HydrophobicContact CG1-CE 3.81Å; I67-M86 HydrophobicContact CG1-SD 4.09Å; F78-M86 HydrophobicContact CE1-CG 4.01Å; F78-M86 HydrophobicContact CZ-CG 3.5Å; F78-M86 HydrophobicContact CZ-SD 4.43Å; S82-M86 VanDerWaalsContact O-CG 3.29Å; S82-M86 WeakPolarHBondContact O-CG 3.49Å; S82-M86 PolarHBondContact O-N 2.88Å; Y83-M86 PolarHBondContact O-N 3.36Å; M86-F89 PolarHBondContact O-N 3.43Å; M86-F89 HydrophobicContact SD-CD2 4.42Å; M86-I90 WeakPolarHBondContact O-CB 3.22Å; M86-I90 VanDerWaalsContact O-CG1 3.23Å; M86-I90 WeakPolarHBondContact O-CG1 3.4Å; M86-I90 PolarHBondContact O-N 2.99Å
87T89.6Confident82.9Confident64 Ų6449.5 Ų49.539%0.39326%0.259SS..Hα-helixtrans-67-38.8178.8-57.90000111.6Y83 Q84 H85 F89 I90 A91 M128Y83-T87 PolarHBondContact O-N 3.41Å; Y83-T87 PolarHBondContact O-OG1 3.29Å; Q84-T87 PolarHBondContact O-N 3.46Å; H85-T87 VanDerWaalsContact C-N 3.25Å; H85-T87 PolarHBondContact O-N 3.45Å; T87-F89 VanDerWaalsContact C-N 3.34Å; T87-F89 PolarHBondContact O-N 3.4Å; T87-I90 PolarHBondContact O-N 3Å; T87-A91 PolarHBondContact O-N 2.94Å; T87-M128 HydrophobicContact CG2-CE 3.78Å; T87-M128 HydrophobicContact CG2-CG 4.22Å; T87-M128 HydrophobicContact CG2-SD 4.12Å
88V90.7Very high84.9Confident15 Ų1541.7 Ų41.79%0.09123%0.23CC..Hα-helixtrans-58.3-45.9171.1165.70000111Q84 H85 A91 L92 I125 M128Q84-V88 PolarHBondContact O-N 3.47Å; Q84-V88 VanDerWaalsContact O-N 3.1Å; H85-V88 WeakPolarHBondContact O-CB 3.44Å; H85-V88 PolarHBondContact O-N 2.95Å; H85-V88 VanDerWaalsContact O-N 3.14Å; V88-A91 WeakPolarHBondContact O-CB 3.22Å; V88-A91 PolarHBondContact O-N 3.23Å; V88-L92 HydrophobicContact CG1-CD1 4.15Å; V88-L92 WeakPolarHBondContact O-CD1 3.49Å; V88-L92 PolarHBondContact O-N 2.93Å; V88-L92 VanDerWaalsContact O-N 3.16Å; V88-I125 HydrophobicContact CG1-CD1 4.35Å; V88-I125 HydrophobicContact CG1-CG1 4.05Å; V88-I125 HydrophobicContact CG1-CG2 4.25Å; V88-I125 HydrophobicContact CG2-CG1 4.46Å; V88-I125 HydrophobicContact CG2-CG2 4.41Å; V88-M128 HydrophobicContact CG2-CB 3.82Å; V88-M128 HydrophobicContact CG2-CG 4.47Å
89F91.1Very high86.7Confident15 Ų1540.9 Ų40.97%0.06623%0.226CC..Hα-helixtrans-70.6-36.6-179-53.6-33.7000113C62 S63 E66 H85 M86 T87 A91 L92 I93C62-F89 HydrophobicContact CB-CD1 3.46Å; C62-F89 VanDerWaalsContact CB-CD1 3.46Å; C62-F89 HydrophobicContact CB-CD2 3.76Å; C62-F89 HydrophobicContact CB-CE1 3.44Å; C62-F89 VanDerWaalsContact CB-CE1 3.44Å; C62-F89 HydrophobicContact CB-CE2 3.71Å; C62-F89 HydrophobicContact CB-CG 3.65Å; C62-F89 HydrophobicContact CB-CZ 3.57Å; C62-F89 WeakPolarHBondContact O-CE2 3.48Å; S63-F89 VanDerWaalsContact OG-CB 3.31Å; S63-F89 WeakPolarHBondContact OG-CB 3.29Å; E66-F89 HydrophobicContact CB-CE2 4.37Å; H85-F89 HydrophobicContact CB-CE2 3.84Å; H85-F89 HydrophobicContact CB-CZ 4.07Å; H85-F89 WeakPolarHBondContact O-CD2 3.18Å; H85-F89 VanDerWaalsContact O-CG 3.24Å; H85-F89 WeakPolarHBondContact O-CG 3.41Å; H85-F89 PolarHBondContact O-N 3.49Å; M86-F89 PolarHBondContact O-N 3.43Å; M86-F89 HydrophobicContact SD-CD2 4.42Å; T87-F89 VanDerWaalsContact C-N 3.34Å; T87-F89 PolarHBondContact O-N 3.4Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 3.22Å; F89-L92 HydrophobicContact CD1-CD1 4.19Å; F89-L92 WeakPolarHBondContact O-CB 3.48Å; F89-L92 PolarHBondContact O-N 2.91Å; F89-I93 WeakPolarHBondContact O-CG1 3.46Å; F89-I93 PolarHBondContact O-N 3.25Å
90I92Very high88.2Confident92 Ų9241.6 Ų41.647%0.47222%0.222SC..Hα-helixtrans-61.9-41.2172.3-70.6165.7000110.4M86 T87 L92 I93 L94M86-I90 WeakPolarHBondContact O-CB 3.22Å; M86-I90 VanDerWaalsContact O-CG1 3.23Å; M86-I90 WeakPolarHBondContact O-CG1 3.4Å; M86-I90 PolarHBondContact O-N 2.99Å; T87-I90 PolarHBondContact O-N 3Å; I90-L92 VanDerWaalsContact C-N 3.33Å; I90-L92 PolarHBondContact O-N 3.03Å; I90-I93 PolarHBondContact O-N 3.02Å; I90-L94 VanDerWaalsContact O-CB 3.26Å; I90-L94 WeakPolarHBondContact O-CB 3.38Å; I90-L94 PolarHBondContact O-N 3.29Å
91A93.4Very high89.5Confident19 Ų1943.5 Ų43.516%0.15722%0.219CC..Hα-helixtrans-61.4-40.5176.300000112.4T87 V88 F89 L94 Y95 M121T87-A91 PolarHBondContact O-N 2.94Å; V88-A91 WeakPolarHBondContact O-CB 3.22Å; V88-A91 PolarHBondContact O-N 3.23Å; F89-A91 VanDerWaalsContact C-N 3.31Å; F89-A91 PolarHBondContact O-N 3.22Å; A91-L94 PolarHBondContact O-N 3.44Å; A91-Y95 WeakPolarHBondContact O-CB 3.39Å; A91-Y95 PolarHBondContact O-N 3.16Å; A91-M121 HydrophobicContact CB-CG 4.45Å
92L92.2Very high90.4Very high20 Ų2041.5 Ų41.511%0.10521%0.211CC..Hα-helixtrans-62.2-46.6174-78.4148.3000112.2Y55 V88 F89 I90 Y95 G96 M121 I125Y55-L92 HydrophobicContact CD1-CD2 3.7Å; Y55-L92 HydrophobicContact CE1-CD2 4.09Å; V88-L92 HydrophobicContact CG1-CD1 4.15Å; V88-L92 WeakPolarHBondContact O-CD1 3.49Å; V88-L92 PolarHBondContact O-N 2.93Å; V88-L92 VanDerWaalsContact O-N 3.16Å; F89-L92 HydrophobicContact CD1-CD1 4.19Å; F89-L92 WeakPolarHBondContact O-CB 3.48Å; F89-L92 PolarHBondContact O-N 2.91Å; I90-L92 VanDerWaalsContact C-N 3.33Å; I90-L92 PolarHBondContact O-N 3.03Å; L92-Y95 PolarHBondContact O-N 3.29Å; L92-G96 PolarHBondContact O-N 3.26Å; L92-M121 HydrophobicContact CD2-SD 3.98Å; L92-M121 HydrophobicContact CG-SD 4.28Å; L92-I125 HydrophobicContact CG-CD1 4.29Å
93I95.2Very high90.9Very high44 Ų4441.7 Ų41.723%0.22621%0.212CC..Hα-helixtrans-61-48.5176.8-65.9168000109.9I60 F89 I90 Y95 G96 V97I60-I93 HydrophobicContact CG1-CD1 4.03Å; I60-I93 HydrophobicContact CG1-CG1 4.47Å; F89-I93 WeakPolarHBondContact O-CG1 3.46Å; F89-I93 PolarHBondContact O-N 3.25Å; I90-I93 PolarHBondContact O-N 3.02Å; I93-Y95 VanDerWaalsContact C-N 3.34Å; I93-Y95 PolarHBondContact O-N 3.41Å; I93-G96 PolarHBondContact O-N 3.26Å; I93-V97 HydrophobicContact CG2-CG2 4.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.4Å; I93-V97 PolarHBondContact O-N 3.42Å
94L95.3Very high91.3Very high96 Ų9641.3 Ų41.350%0.50321%0.211SC..Hα-helixtrans-60.7-43.4-177.5-176.861.1000111.4I90 A91 G96 V97 I98I90-L94 VanDerWaalsContact O-CB 3.26Å; I90-L94 WeakPolarHBondContact O-CB 3.38Å; I90-L94 PolarHBondContact O-N 3.29Å; A91-L94 PolarHBondContact O-N 3.44Å; L94-G96 PolarHBondContact O-N 2.84Å; L94-V97 PolarHBondContact O-N 2.83Å; L94-I98 HydrophobicContact CD1-CD1 3.89Å; L94-I98 HydrophobicContact CD1-CG1 4.15Å; L94-I98 HydrophobicContact CD2-CD1 4.43Å; L94-I98 HydrophobicContact CG-CD1 3.74Å; L94-I98 HydrophobicContact CG-CG1 4.39Å; L94-I98 WeakPolarHBondContact O-CB 3.43Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.47Å; L94-I98 PolarHBondContact O-N 3.15Å
95Y95.4Very high91.3Very high10 Ų1047 Ų474%0.03924%0.235CC..Hα-helixtrans-57.5-48.2174.4171.5-109.1000112Y55 A91 L92 I93 V97 I98 R99 S114 F117 Y118 M121Y55-Y95 HydrophobicContact CD1-CD1 4.09Å; Y55-Y95 HydrophobicContact CD1-CE1 4.45Å; Y55-Y95 AromaticContact CD2-CD1 3.85Å; Y55-Y95 HydrophobicContact CD2-CD1 3.85Å; Y55-Y95 AromaticContact CD2-CE1 3.64Å; Y55-Y95 HydrophobicContact CD2-CE1 3.64Å; Y55-Y95 HydrophobicContact CE1-CD1 4.27Å; Y55-Y95 HydrophobicContact CE1-CE1 4.3Å; Y55-Y95 HydrophobicContact CE2-CD1 4.09Å; Y55-Y95 AromaticContact CE2-CE1 3.51Å; Y55-Y95 HydrophobicContact CE2-CE1 3.51Å; Y55-Y95 AromaticContact CG-CD1 3.88Å; Y55-Y95 HydrophobicContact CG-CD1 3.88Å; Y55-Y95 HydrophobicContact CG-CE1 4.15Å; Y55-Y95 AromaticContact CZ-CE1 3.85Å; A91-Y95 WeakPolarHBondContact O-CB 3.39Å; A91-Y95 PolarHBondContact O-N 3.16Å; L92-Y95 PolarHBondContact O-N 3.29Å; I93-Y95 VanDerWaalsContact C-N 3.34Å; I93-Y95 PolarHBondContact O-N 3.41Å; Y95-V97 PolarHBondContact O-N 2.91Å; Y95-I98 PolarHBondContact O-N 2.86Å; Y95-R99 WeakPolarHBondContact O-CB 3.41Å; Y95-R99 PolarHBondContact O-N 2.98Å; Y95-S114 WeakPolarHBondContact CE2-O 3.48Å; Y95-F117 HydrophobicContact CD2-CB 4.04Å; Y95-F117 HydrophobicContact CE2-CB 4.44Å; Y95-Y118 HydrophobicContact CE1-CD2 4.04Å; Y95-Y118 HydrophobicContact CE2-CD2 4.19Å; Y95-Y118 HydrophobicContact CE2-CG 4.44Å; Y95-Y118 AromaticContact CZ-CD2 3.69Å; Y95-M121 VanDerWaalsContact CB-SD 3.54Å; Y95-M121 HydrophobicContact CD1-CE 4.01Å; Y95-M121 HydrophobicContact CD1-SD 3.77Å; Y95-M121 HydrophobicContact CE1-CE 4.41Å; Y95-M121 HydrophobicContact CG-CE 4.21Å; Y95-M121 HydrophobicContact CG-SD 3.71Å
96G94.8Very high91.3Very high0 Ų049.8 Ų49.80%025%0.25CS..Hα-helixtrans-61-43.817800000112.6S52 L92 I93 L94 R99 I100S52-G96 WeakPolarHBondContact CB-O 3.42Å; L92-G96 PolarHBondContact O-N 3.26Å; I93-G96 PolarHBondContact O-N 3.26Å; L94-G96 PolarHBondContact O-N 2.84Å; G96-R99 PolarHBondContact O-N 3.45Å; G96-I100 WeakPolarHBondContact O-CG1 3.44Å; G96-I100 PolarHBondContact O-N 3.16Å; G96-I100 VanDerWaalsContact O-N 3.14Å
97V95.7Very high91Very high56 Ų5652.2 Ų52.234%0.33927%0.268SS..Hα-helixtrans-62.6-47.9177.3171.50000111.2I56 I93 L94 Y95 R99 I100 I101I56-V97 HydrophobicContact CD1-CG2 3.87Å; I56-V97 HydrophobicContact CG1-CG2 4.15Å; I93-V97 HydrophobicContact CG2-CG2 4.28Å; I93-V97 WeakPolarHBondContact O-CG2 3.4Å; I93-V97 PolarHBondContact O-N 3.42Å; L94-V97 PolarHBondContact O-N 2.83Å; Y95-V97 PolarHBondContact O-N 2.91Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.34Å; V97-I100 PolarHBondContact O-N 3.43Å; V97-I101 HydrophobicContact CG1-CD1 3.73Å; V97-I101 HydrophobicContact CG1-CG1 4.42Å; V97-I101 WeakPolarHBondContact O-CG1 3.42Å; V97-I101 PolarHBondContact O-N 2.98Å
98I94.1Very high90.6Very high26 Ų2656.8 Ų56.813%0.13329%0.289CS..Hα-helixtrans-60.4-44.9179.4-71171.5000110.5L94 Y95 I100 I101 V102 F117L94-I98 HydrophobicContact CD1-CD1 3.89Å; L94-I98 HydrophobicContact CD1-CG1 4.15Å; L94-I98 HydrophobicContact CD2-CD1 4.43Å; L94-I98 HydrophobicContact CG-CD1 3.74Å; L94-I98 HydrophobicContact CG-CG1 4.39Å; L94-I98 WeakPolarHBondContact O-CB 3.43Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.47Å; L94-I98 PolarHBondContact O-N 3.15Å; Y95-I98 PolarHBondContact O-N 2.86Å; I98-I100 VanDerWaalsContact C-N 3.29Å; I98-I100 PolarHBondContact O-N 3.33Å; I98-I101 PolarHBondContact O-N 2.9Å; I98-V102 HydrophobicContact CG2-CG2 3.92Å; I98-V102 VanDerWaalsContact O-CB 3.24Å; I98-V102 WeakPolarHBondContact O-CB 3.44Å; I98-V102 VanDerWaalsContact O-CG2 3.22Å; I98-V102 WeakPolarHBondContact O-CG2 3.32Å; I98-V102 PolarHBondContact O-N 3.3Å; I98-F117 HydrophobicContact CD1-CD1 3.59Å; I98-F117 HydrophobicContact CD1-CD2 4.48Å; I98-F117 HydrophobicContact CD1-CE1 3.55Å; I98-F117 HydrophobicContact CD1-CE2 4.43Å; I98-F117 HydrophobicContact CD1-CG 4.09Å; I98-F117 HydrophobicContact CD1-CZ 3.99Å; I98-F117 HydrophobicContact CG2-CB 4.38Å; I98-F117 HydrophobicContact CG2-CD1 4.4Å; I98-F117 HydrophobicContact CG2-CD2 3.45Å; I98-F117 VanDerWaalsContact CG2-CD2 3.45Å; I98-F117 HydrophobicContact CG2-CE2 3.71Å; I98-F117 HydrophobicContact CG2-CG 3.83Å; I98-F117 HydrophobicContact CG2-CZ 4.3Å
99R92.3Very high90.3Very high21 Ų2160.4 Ų60.48%0.07931%0.308CS..Hα-helixtrans-60.9-37.1179.3-172.8171.5177.4-165.4-4.9112.4N48 E51 S52 Y95 G96 V97 S103N48-R99 PolarHBondContact OD1-NH2 3.37Å; E51-R99 VanDerWaalsContact CB-NH1 3.33Å; E51-R99 IonicContact OE2-CZ 3.19Å; E51-R99 IonicContact OE2-NH1 3.92Å; E51-R99 PolarHBondContact OE2-NH1 3.15Å; E51-R99 IonicContact OE2-NH2 3.55Å; E51-R99 PolarHBondContact OE2-NH2 3.21Å; S52-R99 WeakPolarHBondContact OG-CB 3.19Å; S52-R99 WeakPolarHBondContact OG-CD 3.21Å; S52-R99 VanDerWaalsContact OG-CG 3.29Å; S52-R99 WeakPolarHBondContact OG-CG 3.5Å; Y95-R99 WeakPolarHBondContact O-CB 3.41Å; Y95-R99 PolarHBondContact O-N 2.98Å; G96-R99 PolarHBondContact O-N 3.45Å; V97-R99 VanDerWaalsContact C-N 3.33Å; V97-R99 PolarHBondContact O-N 3.34Å; R99-S103 VanDerWaalsContact O-CB 3.29Å; R99-S103 WeakPolarHBondContact O-CB 3.39Å; R99-S103 PolarHBondContact O-N 3.41Å; R99-S103 PolarHBondContact O-OG 3.19Å
100I92.5Very high89.9Confident41 Ų4160.8 Ų60.821%0.2131%0.313CS..Hα-helixtrans-63.4-55.8171.8-67.9172.3000110.2L49 I56 G96 V97 I98 V102 S103 Y104L49-I100 HydrophobicContact CD1-CD1 4.1Å; L49-I100 HydrophobicContact CD1-CG1 4.04Å; I56-I100 HydrophobicContact CD1-CD1 3.74Å; G96-I100 WeakPolarHBondContact O-CG1 3.44Å; G96-I100 PolarHBondContact O-N 3.16Å; G96-I100 VanDerWaalsContact O-N 3.14Å; V97-I100 PolarHBondContact O-N 3.43Å; I98-I100 VanDerWaalsContact C-N 3.29Å; I98-I100 PolarHBondContact O-N 3.33Å; I100-V102 VanDerWaalsContact C-N 3.27Å; I100-V102 PolarHBondContact O-N 2.65Å; I100-S103 PolarHBondContact O-N 2.84Å; I100-S103 VanDerWaalsContact O-N 3.13Å; I100-Y104 HydrophobicContact CG2-CD2 3.93Å; I100-Y104 HydrophobicContact CG2-CE2 3.96Å; I100-Y104 VanDerWaalsContact O-CD2 3.29Å; I100-Y104 WeakPolarHBondContact O-CD2 3.24Å; I100-Y104 PolarHBondContact O-N 2.81Å
101I92.1Very high89.6Confident92 Ų9262.1 Ų62.147%0.47232%0.315SS..Hα-helixtrans-54.6-48.4-176.3-68.5168.9000110.4V97 I98 Y104 K105V97-I101 HydrophobicContact CG1-CD1 3.73Å; V97-I101 HydrophobicContact CG1-CG1 4.42Å; V97-I101 WeakPolarHBondContact O-CG1 3.42Å; V97-I101 PolarHBondContact O-N 2.98Å; I98-I101 PolarHBondContact O-N 2.9Å; I101-Y104 PolarHBondContact O-N 3.43Å; I101-K105 HydrophobicContact CG2-CG 4.14Å; I101-K105 VanDerWaalsContact O-CB 3.3Å; I101-K105 WeakPolarHBondContact O-CB 3.29Å; I101-K105 WeakPolarHBondContact O-CG 3.4Å; I101-K105 PolarHBondContact O-N 2.79Å
102V89.2Confident89.4Confident11 Ų1166.7 Ų66.77%0.06733%0.333CS..Hα-helixtrans-65.3-39.9-178.31660000111.5I98 I100 Y104 L106 S110 I113I98-V102 HydrophobicContact CG2-CG2 3.92Å; I98-V102 VanDerWaalsContact O-CB 3.24Å; I98-V102 WeakPolarHBondContact O-CB 3.44Å; I98-V102 VanDerWaalsContact O-CG2 3.22Å; I98-V102 WeakPolarHBondContact O-CG2 3.32Å; I98-V102 PolarHBondContact O-N 3.3Å; I100-V102 VanDerWaalsContact C-N 3.27Å; I100-V102 PolarHBondContact O-N 2.65Å; V102-Y104 VanDerWaalsContact C-N 3.25Å; V102-Y104 PolarHBondContact O-N 2.87Å; V102-L106 CarbonylContact O-C 3.59Å; V102-L106 VanDerWaalsContact O-C 3.27Å; V102-L106 WeakPolarHBondContact O-CA 3.35Å; V102-L106 PolarHBondContact O-N 3.38Å; V102-S110 WeakPolarHBondContact CG1-O 3.48Å; V102-I113 HydrophobicContact CB-CG2 4.43Å; V102-I113 HydrophobicContact CG1-CB 3.88Å; V102-I113 HydrophobicContact CG1-CD1 4.4Å; V102-I113 HydrophobicContact CG1-CG2 3.99Å; V102-I113 HydrophobicContact CG2-CB 4.4Å; V102-I113 HydrophobicContact CG2-CG2 3.6Å
103S87.4Confident89.3Confident11 Ų1167.7 Ų67.78%0.07734%0.338CS..Hα-helixtrans-61.1-32.5176.4-62.90000112.9R99 I100R99-S103 VanDerWaalsContact O-CB 3.29Å; R99-S103 WeakPolarHBondContact O-CB 3.39Å; R99-S103 PolarHBondContact O-N 3.41Å; R99-S103 PolarHBondContact O-OG 3.19Å; I100-S103 PolarHBondContact O-N 2.84Å; I100-S103 VanDerWaalsContact O-N 3.13Å
104Y86.3Confident89.2Confident136 Ų13665.9 Ų65.953%0.53333%0.329SS..Hα-helixtrans-91-40.3178.8-76.7-77.1000113.9I100 I101 V102I100-Y104 HydrophobicContact CG2-CD2 3.93Å; I100-Y104 HydrophobicContact CG2-CE2 3.96Å; I100-Y104 VanDerWaalsContact O-CD2 3.29Å; I100-Y104 WeakPolarHBondContact O-CD2 3.24Å; I100-Y104 PolarHBondContact O-N 2.81Å; I101-Y104 PolarHBondContact O-N 3.43Å; V102-Y104 VanDerWaalsContact C-N 3.25Å; V102-Y104 PolarHBondContact O-N 2.87Å
105K87.7Confident89.1Confident163 Ų16362.3 Ų62.371%0.70931%0.31SS*.Hα-helixtrans-90.3-32-170.9-64.6-64.3-174.8179.60113.3I101 P107I101-K105 HydrophobicContact CG2-CG 4.14Å; I101-K105 VanDerWaalsContact O-CB 3.3Å; I101-K105 WeakPolarHBondContact O-CB 3.29Å; I101-K105 WeakPolarHBondContact O-CG 3.4Å; I101-K105 PolarHBondContact O-N 2.79Å; K105-P107 VanDerWaalsContact C-CD 3.48Å
106L84.2Confident89.1Confident83 Ų8367.8 Ų67.844%0.43534%0.335SS..  trans-132.457.2-173.8-61.6174.9000110.5V102 L108 L109 S110 I113V102-L106 CarbonylContact O-C 3.59Å; V102-L106 VanDerWaalsContact O-C 3.27Å; V102-L106 WeakPolarHBondContact O-CA 3.35Å; V102-L106 PolarHBondContact O-N 3.38Å; L106-L108 PolarHBondContact O-N 3.41Å; L106-L108 VanDerWaalsContact O-N 3.09Å; L106-L109 CarbonylContact O-C 3.36Å; L106-L109 PolarHBondContact O-N 3.36Å; L106-S110 WeakPolarHBondContact O-CA 3.49Å; L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 2.91Å; L106-I113 HydrophobicContact CB-CD1 4.45Å; L106-I113 HydrophobicContact CD1-CD1 3.67Å
107P80.1Confident89.1Confident82 Ų8270.6 Ų70.653%0.53235%0.347SS..G310 helixtrans-56.7-34.5-172.623.2-34.1000112.7K105 L109 S110K105-P107 VanDerWaalsContact C-CD 3.48Å; P107-L109 PolarHBondContact O-N 3.24Å; P107-S110 WeakPolarHBondContact O-CB 3.39Å; P107-S110 PolarHBondContact O-N 3.32Å; P107-S110 PolarHBondContact O-OG 2.85Å
108L80.7Confident89.1Confident159 Ų15968.8 Ų68.883%0.83233%0.334SS*.G310 helixtrans-66.8-30.8179.8-63.6176.8000114.2L106L106-L108 PolarHBondContact O-N 3.41Å; L106-L108 VanDerWaalsContact O-N 3.09Å
109L83.6Confident89.3Confident92 Ų9269.2 Ų69.248%0.48234%0.337SS..G310 helixtrans-109.98.9-179.6-60.8179000111.8L106 P107 K111 Q112 I113L106-L109 CarbonylContact O-C 3.36Å; L106-L109 PolarHBondContact O-N 3.36Å; P107-L109 PolarHBondContact O-N 3.24Å; L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 3.36Å; L109-Q112 PolarHBondContact O-N 3.13Å; L109-Q112 PolarHBondContact O-OE1 3.06Å; L109-I113 HydrophobicContact CB-CD1 3.74Å; L109-I113 HydrophobicContact CB-CG1 4.19Å; L109-I113 WeakPolarHBondContact O-CG1 3.06Å; L109-I113 PolarHBondContact O-N 2.8Å
110S83.9Confident89.5Confident23 Ų2372.5 Ų72.516%0.16136%0.355CS..Hα-helixtrans-64.5-38-163.859.20000112.5V102 L106 P107 S114V102-S110 WeakPolarHBondContact CG1-O 3.48Å; L106-S110 WeakPolarHBondContact O-CA 3.49Å; L106-S110 WeakPolarHBondContact O-CB 3.45Å; L106-S110 PolarHBondContact O-N 2.91Å; P107-S110 WeakPolarHBondContact O-CB 3.39Å; P107-S110 PolarHBondContact O-N 3.32Å; P107-S110 PolarHBondContact O-OG 2.85Å; S110-S114 WeakPolarHBondContact O-CB 3.31Å; S110-S114 PolarHBondContact O-N 3.07Å; S110-S114 PolarHBondContact O-OG 3.03Å
111K85.8Confident89.6Confident120 Ų12071.3 Ų71.352%0.52235%0.349SS..Hα-helixtrans-63.9-58175.5-172.1-175176.7-167.70111L109 I113 S114 D115L109-K111 VanDerWaalsContact C-N 3.29Å; L109-K111 PolarHBondContact O-N 3.36Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 2.67Å; K111-S114 PolarHBondContact O-N 3.31Å; K111-D115 WeakPolarHBondContact O-CB 3.36Å; K111-D115 PolarHBondContact O-N 3.34Å
112Q88.6Confident89.8Confident114 Ų11467.3 Ų67.353%0.53333%0.33SS..Hα-helixtrans-59.8-41.2-174.7-61.992.6-31.700112.3L109 D115 F116L109-Q112 PolarHBondContact O-N 3.13Å; L109-Q112 PolarHBondContact O-OE1 3.06Å; Q112-D115 PolarHBondContact O-N 3.49Å; Q112-F116 WeakPolarHBondContact O-CB 3.31Å; Q112-F116 PolarHBondContact O-N 3.05Å
113I91Very high90.1Very high41 Ų4169.6 Ų69.621%0.2135%0.347CS..Hα-helixtrans-68.1-42.4177.6-64171.5000110.2V102 L106 L109 K111 D115 F116 F117V102-I113 HydrophobicContact CB-CG2 4.43Å; V102-I113 HydrophobicContact CG1-CB 3.88Å; V102-I113 HydrophobicContact CG1-CD1 4.4Å; V102-I113 HydrophobicContact CG1-CG2 3.99Å; V102-I113 HydrophobicContact CG2-CB 4.4Å; V102-I113 HydrophobicContact CG2-CG2 3.6Å; L106-I113 HydrophobicContact CB-CD1 4.45Å; L106-I113 HydrophobicContact CD1-CD1 3.67Å; L109-I113 HydrophobicContact CB-CD1 3.74Å; L109-I113 HydrophobicContact CB-CG1 4.19Å; L109-I113 WeakPolarHBondContact O-CG1 3.06Å; L109-I113 PolarHBondContact O-N 2.8Å; K111-I113 VanDerWaalsContact C-N 3.31Å; K111-I113 PolarHBondContact O-N 2.67Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-D115 PolarHBondContact O-N 2.83Å; I113-F116 WeakPolarHBondContact O-CB 3.41Å; I113-F116 PolarHBondContact O-N 3.28Å; I113-F117 HydrophobicContact CG2-CD2 3.67Å; I113-F117 HydrophobicContact CG2-CE2 3.65Å; I113-F117 VanDerWaalsContact O-CD2 3.23Å; I113-F117 WeakPolarHBondContact O-CD2 3.46Å; I113-F117 PolarHBondContact O-N 2.65Å
114S92.2Very high90.4Very high6 Ų670.9 Ų70.94%0.04236%0.358CS..Hα-helixtrans-63.2-41.3176.7-60.10000112.1Y95 S110 K111 F116 F117 Y118Y95-S114 WeakPolarHBondContact CE2-O 3.48Å; S110-S114 WeakPolarHBondContact O-CB 3.31Å; S110-S114 PolarHBondContact O-N 3.07Å; S110-S114 PolarHBondContact O-OG 3.03Å; K111-S114 PolarHBondContact O-N 3.31Å; S114-F116 VanDerWaalsContact C-N 3.35Å; S114-F117 PolarHBondContact O-N 3.28Å; S114-Y118 WeakPolarHBondContact O-CB 3.47Å; S114-Y118 PolarHBondContact O-N 2.96Å
115D93.5Very high90.8Very high21 Ų2165.5 Ų65.511%0.11234%0.338CS..Hα-helixtrans-62.1-43.8177.5-65.8-6.2000110.4K111 Q112 I113 Y118 L119 Y158 I162K111-D115 WeakPolarHBondContact O-CB 3.36Å; K111-D115 PolarHBondContact O-N 3.34Å; Q112-D115 PolarHBondContact O-N 3.49Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-D115 PolarHBondContact O-N 2.83Å; D115-Y118 PolarHBondContact O-N 3.48Å; D115-L119 WeakPolarHBondContact O-CG 3.42Å; D115-L119 PolarHBondContact O-N 3.07Å; D115-L119 VanDerWaalsContact O-N 3.07Å; D115-Y158 HydrophobicContact CB-CE1 4.37Å; D115-Y158 PolarHBondContact OD1-OH 2.97Å; D115-I162 HydrophobicContact CB-CD1 3.82Å; D115-I162 HydrophobicContact CB-CG1 4.36Å
116F95.1Very high91.2Very high125 Ų12561.5 Ų61.555%0.54832%0.319SS..Hα-helixtrans-58.6-49.4174.3171.7-102.8000112.4Q112 I113 S114 Y118 L119 L120Q112-F116 WeakPolarHBondContact O-CB 3.31Å; Q112-F116 PolarHBondContact O-N 3.05Å; I113-F116 WeakPolarHBondContact O-CB 3.41Å; I113-F116 PolarHBondContact O-N 3.28Å; S114-F116 VanDerWaalsContact C-N 3.35Å; F116-Y118 VanDerWaalsContact C-N 3.31Å; F116-Y118 PolarHBondContact O-N 3.03Å; F116-L119 PolarHBondContact O-N 3.25Å; F116-L120 PolarHBondContact O-N 3.07Å
117F95.6Very high91.6Very high60 Ų6063.1 Ų63.126%0.26332%0.323SS..Hα-helixtrans-70-27.6179.6-80.3-73.6000113.1Y95 I98 I113 S114 L120 M121Y95-F117 HydrophobicContact CD2-CB 4.04Å; Y95-F117 HydrophobicContact CE2-CB 4.44Å; I98-F117 HydrophobicContact CD1-CD1 3.59Å; I98-F117 HydrophobicContact CD1-CD2 4.48Å; I98-F117 HydrophobicContact CD1-CE1 3.55Å; I98-F117 HydrophobicContact CD1-CE2 4.43Å; I98-F117 HydrophobicContact CD1-CG 4.09Å; I98-F117 HydrophobicContact CD1-CZ 3.99Å; I98-F117 HydrophobicContact CG2-CB 4.38Å; I98-F117 HydrophobicContact CG2-CD1 4.4Å; I98-F117 HydrophobicContact CG2-CD2 3.45Å; I98-F117 VanDerWaalsContact CG2-CD2 3.45Å; I98-F117 HydrophobicContact CG2-CE2 3.71Å; I98-F117 HydrophobicContact CG2-CG 3.83Å; I98-F117 HydrophobicContact CG2-CZ 4.3Å; I113-F117 HydrophobicContact CG2-CD2 3.67Å; I113-F117 HydrophobicContact CG2-CE2 3.65Å; I113-F117 VanDerWaalsContact O-CD2 3.23Å; I113-F117 WeakPolarHBondContact O-CD2 3.46Å; I113-F117 PolarHBondContact O-N 2.65Å; S114-F117 PolarHBondContact O-N 3.28Å; F117-L120 HydrophobicContact CD1-CD2 4.21Å; F117-L120 HydrophobicContact CE1-CD2 4.35Å; F117-L120 PolarHBondContact O-N 3.49Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 3.26Å
118Y95.4Very high92.1Very high18 Ų1861.6 Ų61.67%0.07131%0.31CS..Hα-helixtrans-65.3-45171.9-176.1-86.3000111.1Y95 S114 D115 F116 L120 M121 G122 Y158 H174Y95-Y118 HydrophobicContact CE1-CD2 4.04Å; Y95-Y118 HydrophobicContact CE2-CD2 4.19Å; Y95-Y118 HydrophobicContact CE2-CG 4.44Å; Y95-Y118 AromaticContact CZ-CD2 3.69Å; S114-Y118 WeakPolarHBondContact O-CB 3.47Å; S114-Y118 PolarHBondContact O-N 2.96Å; D115-Y118 PolarHBondContact O-N 3.48Å; F116-Y118 VanDerWaalsContact C-N 3.31Å; F116-Y118 PolarHBondContact O-N 3.03Å; Y118-L120 VanDerWaalsContact C-N 3.34Å; Y118-L120 PolarHBondContact O-N 2.97Å; Y118-M121 HydrophobicContact CD2-CE 3.72Å; Y118-M121 HydrophobicContact CE2-CE 3.82Å; Y118-M121 HydrophobicContact CG-CE 4.39Å; Y118-M121 PolarHBondContact O-N 3.3Å; Y118-G122 PolarHBondContact O-N 2.83Å; Y118-Y158 AromaticContact CD1-CD1 3.19Å; Y118-Y158 HydrophobicContact CD1-CD1 3.19Å; Y118-Y158 AromaticContact CD1-CE1 3.25Å; Y118-Y158 HydrophobicContact CD1-CE1 3.25Å; Y118-Y158 AromaticContact CD1-CG 3.89Å; Y118-Y158 HydrophobicContact CD1-CG 3.89Å; Y118-Y158 AromaticContact CE1-CD1 3.59Å; Y118-Y158 HydrophobicContact CE1-CD1 3.59Å; Y118-Y158 HydrophobicContact CE1-CD2 4.38Å; Y118-Y158 AromaticContact CE1-CE1 3.95Å; Y118-Y158 HydrophobicContact CE1-CE1 3.95Å; Y118-Y158 AromaticContact CE1-CG 3.78Å; Y118-Y158 HydrophobicContact CE1-CG 3.78Å; Y118-Y158 HydrophobicContact CG-CD1 4.15Å; Y118-Y158 AromaticContact CG-CE1 3.74Å; Y118-Y158 HydrophobicContact CG-CE1 3.74Å; Y118-H174 PolarHBondContact OH-CE1 3.35Å
119L97.8Very high92.6Very high34 Ų3455 Ų5518%0.17828%0.275CS..Hα-helixtrans-63.4-39.9175.6-69.8172000112D115 F116 G122 S123 T155 Y158 F159 I162D115-L119 WeakPolarHBondContact O-CG 3.42Å; D115-L119 PolarHBondContact O-N 3.07Å; D115-L119 VanDerWaalsContact O-N 3.07Å; F116-L119 PolarHBondContact O-N 3.25Å; L119-G122 PolarHBondContact O-N 3.31Å; L119-S123 WeakPolarHBondContact O-CB 3.38Å; L119-S123 PolarHBondContact O-N 3.21Å; L119-S123 PolarHBondContact O-OG 3.26Å; L119-T155 HydrophobicContact CD2-CG2 4.03Å; L119-Y158 HydrophobicContact CD2-CD1 3.78Å; L119-Y158 HydrophobicContact CG-CD1 4.07Å; L119-F159 HydrophobicContact CD1-CD2 3.97Å; L119-F159 HydrophobicContact CD2-CB 3.97Å; L119-I162 HydrophobicContact CD1-CD1 3.89Å; L119-I162 HydrophobicContact CG-CD1 4.35Å
120L95.9Very high92.9Very high91 Ų9152.8 Ų52.848%0.47627%0.265SS..Hα-helixtrans-64.7-43.5175.9-175.660.8000111.6F116 F117 Y118 S123 A124F116-L120 PolarHBondContact O-N 3.07Å; F117-L120 HydrophobicContact CD1-CD2 4.21Å; F117-L120 HydrophobicContact CE1-CD2 4.35Å; F117-L120 PolarHBondContact O-N 3.49Å; Y118-L120 VanDerWaalsContact C-N 3.34Å; Y118-L120 PolarHBondContact O-N 2.97Å; L120-S123 PolarHBondContact O-N 2.76Å; L120-A124 WeakPolarHBondContact O-CB 3.29Å; L120-A124 PolarHBondContact O-N 2.91Å
121M95.7Very high93.2Very high16 Ų1656.4 Ų56.48%0.07928%0.278CS..Hα-helixtrans-58.5-51.2173.7178.1-170.466.400110.7Y55 A91 L92 Y95 F117 Y118 S123 A124 I125Y55-M121 HydrophobicContact CE1-CE 4.28Å; A91-M121 HydrophobicContact CB-CG 4.45Å; L92-M121 HydrophobicContact CD2-SD 3.98Å; L92-M121 HydrophobicContact CG-SD 4.28Å; Y95-M121 VanDerWaalsContact CB-SD 3.54Å; Y95-M121 HydrophobicContact CD1-CE 4.01Å; Y95-M121 HydrophobicContact CD1-SD 3.77Å; Y95-M121 HydrophobicContact CE1-CE 4.41Å; Y95-M121 HydrophobicContact CG-CE 4.21Å; Y95-M121 HydrophobicContact CG-SD 3.71Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 3.26Å; Y118-M121 HydrophobicContact CD2-CE 3.72Å; Y118-M121 HydrophobicContact CE2-CE 3.82Å; Y118-M121 HydrophobicContact CG-CE 4.39Å; Y118-M121 PolarHBondContact O-N 3.3Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 2.9Å; M121-A124 PolarHBondContact O-N 3.38Å; M121-I125 HydrophobicContact CG-CD1 3.82Å; M121-I125 HydrophobicContact CG-CG1 4.46Å; M121-I125 VanDerWaalsContact O-CG1 3.25Å; M121-I125 WeakPolarHBondContact O-CG1 3.37Å; M121-I125 PolarHBondContact O-N 3.39Å
122G96.3Very high93.1Very high7 Ų750.9 Ų50.97%0.07225%0.254CS..Hα-helixtrans-57-42.8177.800000112.7Y118 L119 I125 Y126Y118-G122 PolarHBondContact O-N 2.83Å; L119-G122 PolarHBondContact O-N 3.31Å; G122-I125 PolarHBondContact O-N 3.33Å; G122-Y126 WeakPolarHBondContact O-CB 3.5Å; G122-Y126 PolarHBondContact O-N 2.94Å
123S96Very high93Very high60 Ų6046.2 Ų46.242%0.4223%0.233SC..Hα-helixtrans-66.1-42.1178-56.10000112.7L119 L120 M121 Y126 F127L119-S123 WeakPolarHBondContact O-CB 3.38Å; L119-S123 PolarHBondContact O-N 3.21Å; L119-S123 PolarHBondContact O-OG 3.26Å; L120-S123 PolarHBondContact O-N 2.76Å; M121-S123 VanDerWaalsContact C-N 3.29Å; M121-S123 PolarHBondContact O-N 2.9Å; S123-Y126 PolarHBondContact O-N 3.34Å; S123-F127 WeakPolarHBondContact O-CB 3.29Å; S123-F127 PolarHBondContact O-N 3.13Å
124A94Very high92.7Very high38 Ų3850.8 Ų50.831%0.31425%0.253SS..Hα-helixtrans-65.5-41.6177.200000111.8L120 M121 F127 M128L120-A124 WeakPolarHBondContact O-CB 3.29Å; L120-A124 PolarHBondContact O-N 2.91Å; M121-A124 PolarHBondContact O-N 3.38Å; A124-F127 PolarHBondContact O-N 3.36Å; A124-M128 WeakPolarHBondContact O-CG 3.36Å; A124-M128 PolarHBondContact O-N 2.91Å
125I94.1Very high92.3Very high22 Ų2254.7 Ų54.711%0.11330%0.295CS..Hα-helixtrans-64.3-46.9176.4-65.4174.3000110.4V88 L92 M121 G122 F127 M128 L129 I151V88-I125 HydrophobicContact CG1-CD1 4.35Å; V88-I125 HydrophobicContact CG1-CG1 4.05Å; V88-I125 HydrophobicContact CG1-CG2 4.25Å; V88-I125 HydrophobicContact CG2-CG1 4.46Å; V88-I125 HydrophobicContact CG2-CG2 4.41Å; L92-I125 HydrophobicContact CG-CD1 4.29Å; M121-I125 HydrophobicContact CG-CD1 3.82Å; M121-I125 HydrophobicContact CG-CG1 4.46Å; M121-I125 VanDerWaalsContact O-CG1 3.25Å; M121-I125 WeakPolarHBondContact O-CG1 3.37Å; M121-I125 PolarHBondContact O-N 3.39Å; G122-I125 PolarHBondContact O-N 3.33Å; I125-F127 VanDerWaalsContact C-N 3.32Å; I125-F127 PolarHBondContact O-N 3.46Å; I125-M128 PolarHBondContact O-N 3.01Å; I125-L129 HydrophobicContact CG2-CD1 3.77Å; I125-L129 HydrophobicContact CG2-CG 4.36Å; I125-L129 WeakPolarHBondContact O-CB 3.37Å; I125-L129 WeakPolarHBondContact O-CG 3.23Å; I125-L129 PolarHBondContact O-N 3.42Å; I125-I151 HydrophobicContact CG2-CD1 4.11Å; I125-I151 HydrophobicContact CG2-CG2 4.37Å
126Y95.4Very high92.1Very high80 Ų8056.9 Ų56.931%0.31430%0.301SS..Hα-helixtrans-54.7-48.6174.8170.1-96.1000111.6G122 S123 L129 T130 I148 L152G122-Y126 WeakPolarHBondContact O-CB 3.5Å; G122-Y126 PolarHBondContact O-N 2.94Å; S123-Y126 PolarHBondContact O-N 3.34Å; Y126-L129 PolarHBondContact O-N 2.92Å; Y126-T130 WeakPolarHBondContact O-CB 3.22Å; Y126-T130 PolarHBondContact O-N 3.38Å; Y126-T130 PolarHBondContact O-OG1 3.41Å; Y126-I148 HydrophobicContact CD2-CG2 3.71Å; Y126-I148 HydrophobicContact CE2-CG2 3.45Å; Y126-I148 VanDerWaalsContact CE2-CG2 3.45Å; Y126-L152 HydrophobicContact CD2-CB 3.89Å; Y126-L152 HydrophobicContact CD2-CD1 4.26Å; Y126-L152 HydrophobicContact CE2-CB 3.83Å; Y126-L152 HydrophobicContact CE2-CD1 4.06Å; Y126-L152 HydrophobicContact CE2-CD2 4.16Å; Y126-L152 HydrophobicContact CE2-CG 4.23Å
127F93.1Very high92.1Very high116 Ų11652.8 Ų52.851%0.50929%0.287SS..Hα-helixtrans-60.9-50.3179.6180-92.3000111.8S123 A124 I125 L129 T130 F131S123-F127 WeakPolarHBondContact O-CB 3.29Å; S123-F127 PolarHBondContact O-N 3.13Å; A124-F127 PolarHBondContact O-N 3.36Å; I125-F127 VanDerWaalsContact C-N 3.32Å; I125-F127 PolarHBondContact O-N 3.46Å; F127-L129 VanDerWaalsContact C-N 3.34Å; F127-L129 PolarHBondContact O-N 2.85Å; F127-T130 PolarHBondContact O-N 3.29Å; F127-F131 HydrophobicContact CD2-CD2 4.33Å; F127-F131 AromaticContact CD2-CE2 3.92Å; F127-F131 HydrophobicContact CD2-CE2 3.92Å; F127-F131 HydrophobicContact CE1-CD2 4.41Å; F127-F131 HydrophobicContact CE2-CD2 4.08Å; F127-F131 AromaticContact CE2-CE2 3.59Å; F127-F131 HydrophobicContact CE2-CE2 3.59Å; F127-F131 HydrophobicContact CZ-CD2 4.12Å; F127-F131 HydrophobicContact CZ-CE2 4.02Å; F127-F131 WeakPolarHBondContact O-CD2 3.24Å
128M91.1Very high92.1Very high51 Ų5153.1 Ų53.125%0.25130%0.295SS..Hα-helixtrans-61.5-42.2-178.6-71.9-66.7160.400112T87 V88 A124 I125 F131 H132T87-M128 HydrophobicContact CG2-CE 3.78Å; T87-M128 HydrophobicContact CG2-CG 4.22Å; T87-M128 HydrophobicContact CG2-SD 4.12Å; V88-M128 HydrophobicContact CG2-CB 3.82Å; V88-M128 HydrophobicContact CG2-CG 4.47Å; A124-M128 WeakPolarHBondContact O-CG 3.36Å; A124-M128 PolarHBondContact O-N 2.91Å; I125-M128 PolarHBondContact O-N 3.01Å; M128-F131 PolarHBondContact O-N 2.86Å; M128-H132 PolarHBondContact O-N 2.83Å
129L90Very high92.2Very high19 Ų1952.3 Ų52.310%0.09929%0.292CS..Hα-helixtrans-73.6-26.2178.3-66176.1000112.7I125 Y126 F127 F131 H132 L147 I148 I151I125-L129 HydrophobicContact CG2-CD1 3.77Å; I125-L129 HydrophobicContact CG2-CG 4.36Å; I125-L129 WeakPolarHBondContact O-CB 3.37Å; I125-L129 WeakPolarHBondContact O-CG 3.23Å; I125-L129 PolarHBondContact O-N 3.42Å; Y126-L129 PolarHBondContact O-N 2.92Å; F127-L129 VanDerWaalsContact C-N 3.34Å; F127-L129 PolarHBondContact O-N 2.85Å; L129-F131 PolarHBondContact O-N 3.18Å; L129-H132 WeakPolarHBondContact CA-ND1 3.3Å; L129-H132 PolarHBondContact O-CE1 3.39Å; L129-H132 PolarHBondContact O-ND1 2.86Å; L129-L147 HydrophobicContact CD1-CD2 4.41Å; L129-I148 HydrophobicContact CB-CD1 4.38Å; L129-I148 HydrophobicContact CB-CG1 3.86Å; L129-I148 VanDerWaalsContact O-CD1 3.23Å; L129-I148 WeakPolarHBondContact O-CD1 3.22Å; L129-I151 HydrophobicContact CD1-CD1 3.37Å
130T91.2Very high92.1Very high46 Ų4651 Ų5128%0.28229%0.285SS..Hα-helixtrans-61.4-35.1175.8-610000111.9Y126 F127Y126-T130 WeakPolarHBondContact O-CB 3.22Å; Y126-T130 PolarHBondContact O-N 3.38Å; Y126-T130 PolarHBondContact O-OG1 3.41Å; F127-T130 PolarHBondContact O-N 3.29Å
131F88.8Confident92Very high100 Ų10048.3 Ų48.344%0.43927%0.272SS..THydrogen-bonded Turntrans-103.53.7-174.1-62.5-74.3000114.7Q84 F127 M128 L129 H134Q84-F131 PolarHBondContact NE2-O 2.89Å; F127-F131 HydrophobicContact CD2-CD2 4.33Å; F127-F131 AromaticContact CD2-CE2 3.92Å; F127-F131 HydrophobicContact CD2-CE2 3.92Å; F127-F131 HydrophobicContact CE1-CD2 4.41Å; F127-F131 HydrophobicContact CE2-CD2 4.08Å; F127-F131 AromaticContact CE2-CE2 3.59Å; F127-F131 HydrophobicContact CE2-CE2 3.59Å; F127-F131 HydrophobicContact CZ-CD2 4.12Å; F127-F131 HydrophobicContact CZ-CE2 4.02Å; F127-F131 WeakPolarHBondContact O-CD2 3.24Å; M128-F131 PolarHBondContact O-N 2.86Å; L129-F131 PolarHBondContact O-N 3.18Å; F131-H134 PolarHBondContact O-ND1 2.91Å
132H85.4Confident92.1Very high4 Ų449.8 Ų49.82%0.01928%0.279CS..THydrogen-bonded Turntrans-84.6-3.7-179.688.7-64.5000115.3H81 Q84 H85 M128 L129 H144H81-H132 PolarHBondContact CE1-O 2.72Å; H81-H132 PolarHBondContact ND1-O 3.08Å; Q84-H132 HydrophobicContact CB-CB 4.43Å; H85-H132 AromaticContact NE2-CD2 3.92Å; M128-H132 PolarHBondContact O-N 2.83Å; L129-H132 WeakPolarHBondContact CA-ND1 3.3Å; L129-H132 PolarHBondContact O-CE1 3.39Å; L129-H132 PolarHBondContact O-ND1 2.86Å; H132-H144 AromaticContact CE1-CD2 3.66Å; H132-H144 AromaticContact NE2-CD2 3.37Å; H132-H144 PolarHBondContact NE2-CD2 3.14Å; H132-H144 AromaticContact NE2-NE2 3.78Å
133L86.1Confident92.2Very high16 Ų1649.4 Ų49.48%0.08428%0.275CS..THydrogen-bonded Turntrans-94-1.6-170.7-62176.6000115.1G135 R136 T141 H144 N145 I148L133-G135 PolarHBondContact O-N 3.3Å; L133-R136 WeakPolarHBondContact O-CB 3.25Å; L133-R136 WeakPolarHBondContact O-CG 3.43Å; L133-R136 PolarHBondContact O-N 2.68Å; L133-T141 HydrophobicContact CB-CG2 4.33Å; L133-T141 HydrophobicContact CD1-CG2 4.18Å; L133-H144 HydrophobicContact CD1-CB 3.73Å; L133-H144 HydrophobicContact CD2-CB 3.42Å; L133-H144 VanDerWaalsContact CD2-CB 3.42Å; L133-H144 HydrophobicContact CG-CB 4.16Å; L133-N145 WeakPolarHBondContact CD1-OD1 3.46Å; L133-I148 HydrophobicContact CD1-CD1 3.76Å
134H83.7Confident92.2Very high136 Ų13647 Ų4763%0.6326%0.257SS*.THydrogen-bonded Turntrans-58.1129.5179.5-67.291.4000111.4F131F131-H134 PolarHBondContact O-ND1 2.91Å
135G84.6Confident92.4Very high89 Ų8948.4 Ų48.492%0.91826%0.26SS*.THydrogen-bonded Turntrans80.57.717900000115.5L133L133-G135 PolarHBondContact O-N 3.3Å
136R89.3Confident92.6Very high66 Ų6647.9 Ų47.925%0.24926%0.257CS..  trans-85.6161.9174.7-62.3-51-172.2109.91.6112.6L133 D140L133-R136 WeakPolarHBondContact O-CB 3.25Å; L133-R136 WeakPolarHBondContact O-CG 3.43Å; L133-R136 PolarHBondContact O-N 2.68Å; R136-D140 HydrophobicContact CB-CB 4.15Å; R136-D140 WeakPolarHBondContact CD-OD2 3.36Å; R136-D140 IonicContact CZ-OD2 3.9Å; R136-D140 IonicContact NE-OD2 2.92Å; R136-D140 IonicContact NH1-OD2 3.84Å; R136-D140 PolarHBondContact NH1-OD2 2.92Å
137T94.4Very high92.7Very high39 Ų3944.3 Ų44.324%0.23924%0.243CC..  trans-66.1158.817658.80000110.8F139 D140 T141 Q204T137-F139 VanDerWaalsContact C-N 3.29Å; T137-F139 PolarHBondContact O-N 3.37Å; T137-D140 PolarHBondContact O-N 2.7Å; T137-D140 WeakPolarHBondContact OG1-CB 3.41Å; T137-D140 PolarHBondContact OG1-N 3.42Å; T137-T141 WeakPolarHBondContact O-CB 3.44Å; T137-T141 PolarHBondContact O-N 3.31Å; T137-T141 PolarHBondContact O-OG1 2.98Å; T137-Q204 HydrophobicContact CG2-CB 3.88Å; T137-Q204 VanDerWaalsContact CG2-OE1 3.24Å; T137-Q204 WeakPolarHBondContact OG1-CB 3.44Å; T137-Q204 PolarHBondContact OG1-OE1 3.46Å
138P96.2Very high92.9Very high67 Ų6739.2 Ų39.244%0.43522%0.221SC..Hα-helixtrans-54.6-43.3178-27.935.6000113.2H142 Q204 N205 I210P138-H142 WeakPolarHBondContact O-CB 3.42Å; P138-H142 PolarHBondContact O-N 3.47Å; P138-Q204 WeakPolarHBondContact CD-O 3.41Å; P138-N205 WeakPolarHBondContact CD-OD1 3.5Å; P138-I210 HydrophobicContact CB-CD1 4.44Å
139F96.8Very high93.2Very high1 Ų141.9 Ų41.90%0.00423%0.233CC..Hα-helixtrans-68.5-46.1179.7-178.5-117.6000112.9T137 T141 H142 V143 Y191 L192 W202 Q204 S209 I210 A213T137-F139 VanDerWaalsContact C-N 3.29Å; T137-F139 PolarHBondContact O-N 3.37Å; F139-T141 VanDerWaalsContact C-N 3.32Å; F139-T141 PolarHBondContact O-N 2.76Å; F139-H142 PolarHBondContact O-N 2.91Å; F139-H142 VanDerWaalsContact O-N 3.17Å; F139-V143 HydrophobicContact CD2-CG1 4.2Å; F139-V143 HydrophobicContact CE1-CG1 4.49Å; F139-V143 HydrophobicContact CE2-CG1 3.77Å; F139-V143 HydrophobicContact CZ-CG1 3.94Å; F139-V143 PolarHBondContact O-N 2.9Å; F139-Y191 HydrophobicContact CE1-CG 4.23Å; F139-Y191 HydrophobicContact CZ-CD1 4.25Å; F139-Y191 AromaticContact CZ-CD2 3.98Å; F139-Y191 HydrophobicContact CZ-CD2 3.98Å; F139-Y191 HydrophobicContact CZ-CE2 4.44Å; F139-Y191 AromaticContact CZ-CG 3.87Å; F139-Y191 HydrophobicContact CZ-CG 3.87Å; F139-L192 HydrophobicContact CD1-CD2 4.28Å; F139-L192 HydrophobicContact CE1-CD2 4.41Å; F139-W202 HydrophobicContact CD1-CB 4.28Å; F139-W202 HydrophobicContact CE1-CB 3.64Å; F139-W202 HydrophobicContact CE1-CG 4.1Å; F139-W202 HydrophobicContact CE2-CE3 4.47Å; F139-W202 HydrophobicContact CZ-CB 4.09Å; F139-W202 HydrophobicContact CZ-CD2 4.15Å; F139-W202 HydrophobicContact CZ-CE3 4.05Å; F139-W202 HydrophobicContact CZ-CG 4.17Å; F139-Q204 HydrophobicContact CB-CB 4.22Å; F139-Q204 WeakPolarHBondContact CB-O 3.35Å; F139-Q204 HydrophobicContact CD1-CG 4.4Å; F139-Q204 PolarHBondContact N-O 3.42Å; F139-S209 WeakPolarHBondContact CE2-O 3.31Å; F139-I210 HydrophobicContact CD2-CG1 4.15Å; F139-A213 HydrophobicContact CE2-CB 3.89Å
140D95.1Very high93.6Very high6 Ų641.1 Ų41.13%0.03223%0.229CC..Hα-helixtrans-58.1-46.6176.8-177.12.3000110.7R136 T137 H142 V143 H144 L192R136-D140 HydrophobicContact CB-CB 4.15Å; R136-D140 WeakPolarHBondContact CD-OD2 3.36Å; R136-D140 IonicContact CZ-OD2 3.9Å; R136-D140 IonicContact NE-OD2 2.92Å; R136-D140 IonicContact NH1-OD2 3.84Å; R136-D140 PolarHBondContact NH1-OD2 2.92Å; T137-D140 PolarHBondContact O-N 2.7Å; T137-D140 WeakPolarHBondContact OG1-CB 3.41Å; T137-D140 PolarHBondContact OG1-N 3.42Å; D140-H142 VanDerWaalsContact C-N 3.34Å; D140-H142 PolarHBondContact O-N 2.64Å; D140-V143 WeakPolarHBondContact O-CG2 3.2Å; D140-H144 PolarHBondContact O-N 3.49Å; D140-H144 PolarHBondContact O-ND1 3.46Å; D140-H144 IonicContact OD1-CE1 2.72Å; D140-H144 PolarHBondContact OD1-CE1 3.04Å; D140-H144 IonicContact OD1-ND1 3.19Å; D140-H144 PolarHBondContact OD1-ND1 3.34Å; D140-L192 HydrophobicContact CB-CD1 4.48Å; D140-L192 HydrophobicContact CB-CD2 4.05Å; D140-L192 VanDerWaalsContact OD1-CD1 3.3Å; D140-L192 WeakPolarHBondContact OD1-CD1 3.33Å
141T95.8Very high93.9Very high36 Ų3639.8 Ų39.822%0.22122%0.22CC..Hα-helixtrans-59.2-44.5175.5-560000111.6L133 T137 F139 N145L133-T141 HydrophobicContact CB-CG2 4.33Å; L133-T141 HydrophobicContact CD1-CG2 4.18Å; T137-T141 WeakPolarHBondContact O-CB 3.44Å; T137-T141 PolarHBondContact O-N 3.31Å; T137-T141 PolarHBondContact O-OG1 2.98Å; F139-T141 VanDerWaalsContact C-N 3.32Å; F139-T141 PolarHBondContact O-N 2.76Å; T141-N145 WeakPolarHBondContact O-CB 3.5Å; T141-N145 VanDerWaalsContact O-CG 3.23Å; T141-N145 PolarHBondContact O-N 2.74Å; T141-N145 PolarHBondContact O-ND2 3Å
142H97.5Very high94.4Very high46 Ų4637.8 Ų37.821%0.21321%0.214CC..Hα-helixtrans-63.8-48.8-178.1-177.474.8000112.7P138 F139 D140 H144 N145 I146 I210 N214P138-H142 WeakPolarHBondContact O-CB 3.42Å; P138-H142 PolarHBondContact O-N 3.47Å; F139-H142 PolarHBondContact O-N 2.91Å; F139-H142 VanDerWaalsContact O-N 3.17Å; D140-H142 VanDerWaalsContact C-N 3.34Å; D140-H142 PolarHBondContact O-N 2.64Å; H142-H144 VanDerWaalsContact C-N 3.31Å; H142-H144 PolarHBondContact O-N 3.23Å; H142-N145 WeakPolarHBondContact O-CB 3.34Å; H142-N145 PolarHBondContact O-N 2.9Å; H142-I146 WeakPolarHBondContact NE2-CD1 3.42Å; H142-I146 PolarHBondContact O-N 3.16Å; H142-I146 VanDerWaalsContact O-N 3.1Å; H142-I210 HydrophobicContact CB-CD1 4.39Å; H142-I210 HydrophobicContact CB-CG1 4.14Å; H142-N214 PolarHBondContact CE1-OD1 2.84Å; H142-N214 PolarHBondContact NE2-OD1 3.03Å
143V97.7Very high95Very high0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-67.2-33.8-177.6-60.60000112F139 D140 I146 L147 W184 I188 Y191 A213F139-V143 HydrophobicContact CD2-CG1 4.2Å; F139-V143 HydrophobicContact CE1-CG1 4.49Å; F139-V143 HydrophobicContact CE2-CG1 3.77Å; F139-V143 HydrophobicContact CZ-CG1 3.94Å; F139-V143 PolarHBondContact O-N 2.9Å; D140-V143 WeakPolarHBondContact O-CG2 3.2Å; V143-I146 PolarHBondContact O-N 3.33Å; V143-L147 PolarHBondContact O-N 3.35Å; V143-W184 HydrophobicContact CB-CZ2 4.23Å; V143-W184 HydrophobicContact CG1-CZ2 4.31Å; V143-W184 PolarHBondContact O-NE1 3.5Å; V143-I188 HydrophobicContact CB-CG1 4.03Å; V143-I188 HydrophobicContact CG2-CD1 4.47Å; V143-I188 HydrophobicContact CG2-CG1 3.98Å; V143-I188 HydrophobicContact CG2-CG2 4.12Å; V143-Y191 HydrophobicContact CG1-CD2 3.94Å; V143-Y191 HydrophobicContact CG1-CE2 4.23Å; V143-A213 HydrophobicContact CG1-CB 4Å
144H96Very high95.6Very high9 Ų942.6 Ų42.64%0.04224%0.235CC..Hα-helixtrans-72.8-33.9172.1-75.992000113.2H7 H132 L133 D140 H142 I146 L147 I148H7-H144 AromaticContact NE2-CE1 3.92Å; H7-H144 AromaticContact NE2-NE2 3.42Å; H7-H144 PolarHBondContact NE2-NE2 2.69Å; H132-H144 AromaticContact CE1-CD2 3.66Å; H132-H144 AromaticContact NE2-CD2 3.37Å; H132-H144 PolarHBondContact NE2-CD2 3.14Å; H132-H144 AromaticContact NE2-NE2 3.78Å; L133-H144 HydrophobicContact CD1-CB 3.73Å; L133-H144 HydrophobicContact CD2-CB 3.42Å; L133-H144 VanDerWaalsContact CD2-CB 3.42Å; L133-H144 HydrophobicContact CG-CB 4.16Å; D140-H144 PolarHBondContact O-N 3.49Å; D140-H144 PolarHBondContact O-ND1 3.46Å; D140-H144 IonicContact OD1-CE1 2.72Å; D140-H144 PolarHBondContact OD1-CE1 3.04Å; D140-H144 IonicContact OD1-ND1 3.19Å; D140-H144 PolarHBondContact OD1-ND1 3.34Å; H142-H144 VanDerWaalsContact C-N 3.31Å; H142-H144 PolarHBondContact O-N 3.23Å; H144-I146 VanDerWaalsContact C-N 3.27Å; H144-I146 PolarHBondContact O-N 3.48Å; H144-L147 CarbonylContact O-C 3.45Å; H144-L147 WeakPolarHBondContact O-CA 3.42Å; H144-L147 WeakPolarHBondContact O-CB 3.25Å; H144-L147 PolarHBondContact O-N 3.03Å; H144-L147 VanDerWaalsContact O-N 3.08Å; H144-I148 WeakPolarHBondContact O-CD1 3.32Å; H144-I148 VanDerWaalsContact O-CG1 3.26Å; H144-I148 WeakPolarHBondContact O-CG1 3.21Å; H144-I148 PolarHBondContact O-N 3.42Å
145N97.5Very high96.3Very high68 Ų6837 Ų3736%0.36421%0.21SC..Hα-helixtrans-60.8-38.4172.3-80-23.7000111.8L133 T141 H142 I148 Q149L133-N145 WeakPolarHBondContact CD1-OD1 3.46Å; T141-N145 WeakPolarHBondContact O-CB 3.5Å; T141-N145 VanDerWaalsContact O-CG 3.23Å; T141-N145 PolarHBondContact O-N 2.74Å; T141-N145 PolarHBondContact O-ND2 3Å; H142-N145 WeakPolarHBondContact O-CB 3.34Å; H142-N145 PolarHBondContact O-N 2.9Å; N145-I148 PolarHBondContact O-N 2.93Å; N145-Q149 WeakPolarHBondContact O-CG 3.36Å; N145-Q149 PolarHBondContact O-N 2.86Å
146I98.3Very high96.9Very high10 Ų1036.8 Ų36.85%0.05119%0.187CC..Hα-helixtrans-60.6-46171.2-66170.4000110.5H142 V143 H144 I148 Q149 T150 W184 F217H142-I146 WeakPolarHBondContact NE2-CD1 3.42Å; H142-I146 PolarHBondContact O-N 3.16Å; H142-I146 VanDerWaalsContact O-N 3.1Å; V143-I146 PolarHBondContact O-N 3.33Å; H144-I146 VanDerWaalsContact C-N 3.27Å; H144-I146 PolarHBondContact O-N 3.48Å; I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 PolarHBondContact O-N 3.29Å; I146-Q149 WeakPolarHBondContact O-CB 3.31Å; I146-Q149 PolarHBondContact O-N 3.43Å; I146-T150 WeakPolarHBondContact O-CG2 3.3Å; I146-T150 PolarHBondContact O-N 2.88Å; I146-W184 HydrophobicContact CB-CZ2 4.17Å; I146-W184 HydrophobicContact CD1-CH2 4.39Å; I146-W184 HydrophobicContact CD1-CZ2 3.72Å; I146-W184 HydrophobicContact CG2-CD2 4.2Å; I146-W184 HydrophobicContact CG2-CG 4.35Å; I146-W184 HydrophobicContact CG2-CZ2 3.99Å; I146-F217 HydrophobicContact CG2-CD1 4.24Å; I146-F217 HydrophobicContact CG2-CD2 3.37Å; I146-F217 HydrophobicContact CG2-CE1 4.18Å; I146-F217 HydrophobicContact CG2-CE2 3.29Å; I146-F217 HydrophobicContact CG2-CG 3.85Å; I146-F217 HydrophobicContact CG2-CZ 3.71Å
147L97.7Very high97.4Very high5 Ų534.1 Ų34.13%0.02618%0.178CC..Hα-helixtrans-59.1-43.3175.8178.769.8000112.4L129 V143 H144 Q149 T150 I151 T181 L185 I188L129-L147 HydrophobicContact CD1-CD2 4.41Å; V143-L147 PolarHBondContact O-N 3.35Å; H144-L147 CarbonylContact O-C 3.45Å; H144-L147 WeakPolarHBondContact O-CA 3.42Å; H144-L147 WeakPolarHBondContact O-CB 3.25Å; H144-L147 PolarHBondContact O-N 3.03Å; H144-L147 VanDerWaalsContact O-N 3.08Å; L147-Q149 VanDerWaalsContact C-N 3.27Å; L147-Q149 PolarHBondContact O-N 3.18Å; L147-T150 PolarHBondContact O-N 3.13Å; L147-T150 VanDerWaalsContact O-N 3.15Å; L147-T150 PolarHBondContact O-OG1 3.28Å; L147-I151 HydrophobicContact CD1-CD1 4.31Å; L147-I151 HydrophobicContact CD2-CD1 4.49Å; L147-I151 HydrophobicContact CG-CD1 3.94Å; L147-I151 VanDerWaalsContact O-CG1 3.31Å; L147-I151 WeakPolarHBondContact O-CG1 3.4Å; L147-I151 PolarHBondContact O-N 3.06Å; L147-T181 HydrophobicContact CD1-CG2 3.99Å; L147-L185 HydrophobicContact CD1-CB 4.04Å; L147-L185 HydrophobicContact CD1-CD1 4.36Å; L147-L185 HydrophobicContact CD2-CD1 3.63Å; L147-I188 HydrophobicContact CB-CD1 3.87Å; L147-I188 HydrophobicContact CD2-CD1 4.05Å; L147-I188 HydrophobicContact CG-CD1 4.44Å
148I97.3Very high97.5Very high10 Ų1033.4 Ų33.45%0.05117%0.172CC..Hα-helixtrans-60.6-41.2178.4-69.6157.5000110Y126 L129 L133 H144 N145 I146 I151 L152Y126-I148 HydrophobicContact CD2-CG2 3.71Å; Y126-I148 HydrophobicContact CE2-CG2 3.45Å; Y126-I148 VanDerWaalsContact CE2-CG2 3.45Å; L129-I148 HydrophobicContact CB-CD1 4.38Å; L129-I148 HydrophobicContact CB-CG1 3.86Å; L129-I148 VanDerWaalsContact O-CD1 3.23Å; L129-I148 WeakPolarHBondContact O-CD1 3.22Å; L133-I148 HydrophobicContact CD1-CD1 3.76Å; H144-I148 WeakPolarHBondContact O-CD1 3.32Å; H144-I148 VanDerWaalsContact O-CG1 3.26Å; H144-I148 WeakPolarHBondContact O-CG1 3.21Å; H144-I148 PolarHBondContact O-N 3.42Å; N145-I148 PolarHBondContact O-N 2.93Å; I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 PolarHBondContact O-N 3.29Å; I148-I151 PolarHBondContact O-N 2.98Å; I148-L152 PolarHBondContact O-N 2.95Å
149Q98.1Very high97.6Very high106 Ų10635.2 Ų35.250%0.49517%0.173SC..Hα-helixtrans-63.7-42.6174-69.31740.400112N145 I146 L147 I151 L152 F153N145-Q149 WeakPolarHBondContact O-CG 3.36Å; N145-Q149 PolarHBondContact O-N 2.86Å; I146-Q149 WeakPolarHBondContact O-CB 3.31Å; I146-Q149 PolarHBondContact O-N 3.43Å; L147-Q149 VanDerWaalsContact C-N 3.27Å; L147-Q149 PolarHBondContact O-N 3.18Å; Q149-I151 VanDerWaalsContact C-N 3.3Å; Q149-I151 PolarHBondContact O-N 3.43Å; Q149-L152 WeakPolarHBondContact O-CB 3.43Å; Q149-L152 PolarHBondContact O-N 3.45Å; Q149-F153 HydrophobicContact CB-CD2 4.46Å; Q149-F153 HydrophobicContact CB-CE2 4.26Å; Q149-F153 WeakPolarHBondContact O-CD2 3.5Å; Q149-F153 WeakPolarHBondContact O-CG 3.35Å; Q149-F153 PolarHBondContact O-N 3.46Å
150T98.4Very high97.7Very high3 Ų337 Ų372%0.01818%0.184CC..Hα-helixtrans-64.5-35.7177.765.10000112.1I146 L147 T154 L180 T181 F217I146-T150 WeakPolarHBondContact O-CG2 3.3Å; I146-T150 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-N 3.13Å; L147-T150 VanDerWaalsContact O-N 3.15Å; L147-T150 PolarHBondContact O-OG1 3.28Å; T150-T154 VanDerWaalsContact O-CB 3.31Å; T150-T154 WeakPolarHBondContact O-CB 3.31Å; T150-T154 PolarHBondContact O-N 2.95Å; T150-T154 PolarHBondContact O-OG1 3.03Å; T150-L180 HydrophobicContact CG2-CD2 3.95Å; T150-L180 HydrophobicContact CG2-CG 3.87Å; T150-T181 VanDerWaalsContact CB-OG1 3.31Å; T150-T181 WeakPolarHBondContact CB-OG1 3.48Å; T150-T181 PolarHBondContact O-OG1 3.49Å; T150-T181 WeakPolarHBondContact OG1-CA 3.27Å; T150-T181 PolarHBondContact OG1-OG1 3.01Å; T150-T181 VanDerWaalsContact OG1-OG1 3.08Å; T150-F217 HydrophobicContact CG2-CE2 3.66Å; T150-F217 HydrophobicContact CG2-CZ 3.73Å
151I97.8Very high97.7Very high18 Ų1837.6 Ų37.69%0.09219%0.186CC..Hα-helixtrans-67.2-42.7175.5-67.1167.2000110.9I125 L129 L147 I148 Q149 T154 T155 T181I125-I151 HydrophobicContact CG2-CD1 4.11Å; I125-I151 HydrophobicContact CG2-CG2 4.37Å; L129-I151 HydrophobicContact CD1-CD1 3.37Å; L147-I151 HydrophobicContact CD1-CD1 4.31Å; L147-I151 HydrophobicContact CD2-CD1 4.49Å; L147-I151 HydrophobicContact CG-CD1 3.94Å; L147-I151 VanDerWaalsContact O-CG1 3.31Å; L147-I151 WeakPolarHBondContact O-CG1 3.4Å; L147-I151 PolarHBondContact O-N 3.06Å; I148-I151 PolarHBondContact O-N 2.98Å; Q149-I151 VanDerWaalsContact C-N 3.3Å; Q149-I151 PolarHBondContact O-N 3.43Å; I151-T154 WeakPolarHBondContact O-CB 3.1Å; I151-T154 PolarHBondContact O-N 3.03Å; I151-T155 PolarHBondContact O-N 3.33Å; I151-T155 PolarHBondContact O-OG1 3.22Å; I151-T181 HydrophobicContact CD1-CG2 4.45Å; I151-T181 HydrophobicContact CG1-CG2 3.66Å
152L98.2Very high97.6Very high58 Ų5838.4 Ų38.430%0.30419%0.189SC..Hα-helixtrans-59.6-50.6174.6-178.563.8000111Y126 I148 Q149 T154 T155 I156Y126-L152 HydrophobicContact CD2-CB 3.89Å; Y126-L152 HydrophobicContact CD2-CD1 4.26Å; Y126-L152 HydrophobicContact CE2-CB 3.83Å; Y126-L152 HydrophobicContact CE2-CD1 4.06Å; Y126-L152 HydrophobicContact CE2-CD2 4.16Å; Y126-L152 HydrophobicContact CE2-CG 4.23Å; I148-L152 PolarHBondContact O-N 2.95Å; Q149-L152 WeakPolarHBondContact O-CB 3.43Å; Q149-L152 PolarHBondContact O-N 3.45Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 3.46Å; L152-T155 PolarHBondContact O-N 3.15Å; L152-T155 VanDerWaalsContact O-N 3.16Å; L152-I156 HydrophobicContact CD1-CD1 3.95Å; L152-I156 HydrophobicContact CD1-CG1 4.35Å; L152-I156 HydrophobicContact CG-CD1 3.84Å; L152-I156 WeakPolarHBondContact O-CG1 3.36Å; L152-I156 PolarHBondContact O-N 3.16Å
153F98.6Very high97.6Very high115 Ų11541 Ų4150%0.50420%0.203SC..Hα-helixtrans-63.2-35.8177.2-70.5-53.8000112.5Q149 T155 S157Q149-F153 HydrophobicContact CB-CD2 4.46Å; Q149-F153 HydrophobicContact CB-CE2 4.26Å; Q149-F153 WeakPolarHBondContact O-CD2 3.5Å; Q149-F153 WeakPolarHBondContact O-CG 3.35Å; Q149-F153 PolarHBondContact O-N 3.46Å; F153-T155 VanDerWaalsContact C-N 3.34Å; F153-S157 WeakPolarHBondContact O-CB 3.3Å; F153-S157 PolarHBondContact O-N 2.95Å; F153-S157 PolarHBondContact O-OG 3.47Å
154T98.6Very high97.4Very high7 Ų742.7 Ų42.74%0.04322%0.215CC..Hα-helixtrans-61.8-42.5173.8-610000111.5T150 I151 L152 S157 Y158 H174 C177 L178 T181T150-T154 VanDerWaalsContact O-CB 3.31Å; T150-T154 WeakPolarHBondContact O-CB 3.31Å; T150-T154 PolarHBondContact O-N 2.95Å; T150-T154 PolarHBondContact O-OG1 3.03Å; I151-T154 WeakPolarHBondContact O-CB 3.1Å; I151-T154 PolarHBondContact O-N 3.03Å; L152-T154 VanDerWaalsContact C-N 3.3Å; L152-T154 PolarHBondContact O-N 3.46Å; T154-S157 WeakPolarHBondContact CA-OG 3.38Å; T154-S157 PolarHBondContact O-OG 3.39Å; T154-Y158 WeakPolarHBondContact O-CB 3.48Å; T154-Y158 PolarHBondContact O-N 2.89Å; T154-Y158 VanDerWaalsContact O-N 3.16Å; T154-H174 PolarHBondContact O-ND1 3.25Å; T154-C177 VanDerWaalsContact OG1-C 3.24Å; T154-C177 WeakPolarHBondContact OG1-CB 3.46Å; T154-C177 PolarHBondContact OG1-O 3.18Å; T154-L178 HydrophobicContact CG2-CB 4.16Å; T154-L178 HydrophobicContact CG2-CD1 3.65Å; T154-L178 HydrophobicContact CG2-CG 4.49Å; T154-T181 PolarHBondContact OG1-OG1 3.27Å; T154-T181 VanDerWaalsContact OG1-OG1 3.13Å
155T98.2Very high97.1Very high18 Ų1849.3 Ų49.311%0.1125%0.25CS..Hα-helixtrans-69.9-45.4179.7-53.90000111.2L119 I151 L152 F153 Y158 F159L119-T155 HydrophobicContact CD2-CG2 4.03Å; I151-T155 PolarHBondContact O-N 3.33Å; I151-T155 PolarHBondContact O-OG1 3.22Å; L152-T155 PolarHBondContact O-N 3.15Å; L152-T155 VanDerWaalsContact O-N 3.16Å; F153-T155 VanDerWaalsContact C-N 3.34Å; T155-Y158 PolarHBondContact O-N 3.34Å; T155-F159 PolarHBondContact O-N 3.34Å
156I98.5Very high96.5Very high84 Ų8448.4 Ų48.443%0.43125%0.249SC..Hα-helixtrans-64.2-47.8177.9-67.5171000110.9L152 Y158 F159 V160L152-I156 HydrophobicContact CD1-CD1 3.95Å; L152-I156 HydrophobicContact CD1-CG1 4.35Å; L152-I156 HydrophobicContact CG-CD1 3.84Å; L152-I156 WeakPolarHBondContact O-CG1 3.36Å; L152-I156 PolarHBondContact O-N 3.16Å; I156-Y158 VanDerWaalsContact C-N 3.26Å; I156-Y158 PolarHBondContact O-N 3.39Å; I156-F159 WeakPolarHBondContact O-CB 3.25Å; I156-F159 PolarHBondContact O-N 3.03Å; I156-F159 VanDerWaalsContact O-N 3.13Å; I156-V160 HydrophobicContact CG2-CG2 4.36Å; I156-V160 WeakPolarHBondContact O-CG2 3.33Å; I156-V160 PolarHBondContact O-N 3.46Å
157S98.4Very high96.1Very high10 Ų1051.4 Ų51.47%0.0727%0.266CS..Hα-helixtrans-60.8-36.7-18053.60000112.1F153 T154 V160 E161 H174F153-S157 WeakPolarHBondContact O-CB 3.3Å; F153-S157 PolarHBondContact O-N 2.95Å; F153-S157 PolarHBondContact O-OG 3.47Å; T154-S157 WeakPolarHBondContact CA-OG 3.38Å; T154-S157 PolarHBondContact O-OG 3.39Å; S157-V160 PolarHBondContact O-N 3.16Å; S157-E161 WeakPolarHBondContact O-CB 3.46Å; S157-E161 PolarHBondContact O-N 2.86Å; S157-H174 WeakPolarHBondContact OG-CA 3.15Å
158Y97.7Very high95.7Very high25 Ų2553 Ų5310%0.09827%0.274CS..Hα-helixtrans-68.1-40.9174.2-169.9-117.3000112.7D115 Y118 L119 T154 T155 I156 V160 E161 I162 H174D115-Y158 HydrophobicContact CB-CE1 4.37Å; D115-Y158 PolarHBondContact OD1-OH 2.97Å; Y118-Y158 AromaticContact CD1-CD1 3.19Å; Y118-Y158 HydrophobicContact CD1-CD1 3.19Å; Y118-Y158 AromaticContact CD1-CE1 3.25Å; Y118-Y158 HydrophobicContact CD1-CE1 3.25Å; Y118-Y158 AromaticContact CD1-CG 3.89Å; Y118-Y158 HydrophobicContact CD1-CG 3.89Å; Y118-Y158 AromaticContact CE1-CD1 3.59Å; Y118-Y158 HydrophobicContact CE1-CD1 3.59Å; Y118-Y158 HydrophobicContact CE1-CD2 4.38Å; Y118-Y158 AromaticContact CE1-CE1 3.95Å; Y118-Y158 HydrophobicContact CE1-CE1 3.95Å; Y118-Y158 AromaticContact CE1-CG 3.78Å; Y118-Y158 HydrophobicContact CE1-CG 3.78Å; Y118-Y158 HydrophobicContact CG-CD1 4.15Å; Y118-Y158 AromaticContact CG-CE1 3.74Å; Y118-Y158 HydrophobicContact CG-CE1 3.74Å; L119-Y158 HydrophobicContact CD2-CD1 3.78Å; L119-Y158 HydrophobicContact CG-CD1 4.07Å; T154-Y158 WeakPolarHBondContact O-CB 3.48Å; T154-Y158 PolarHBondContact O-N 2.89Å; T154-Y158 VanDerWaalsContact O-N 3.16Å; T155-Y158 PolarHBondContact O-N 3.34Å; I156-Y158 VanDerWaalsContact C-N 3.26Å; I156-Y158 PolarHBondContact O-N 3.39Å; Y158-V160 VanDerWaalsContact C-N 3.3Å; Y158-V160 PolarHBondContact O-N 2.83Å; Y158-E161 WeakPolarHBondContact O-CB 3.43Å; Y158-E161 PolarHBondContact O-N 3.42Å; Y158-I162 HydrophobicContact CD1-CD1 3.72Å; Y158-I162 HydrophobicContact CD1-CG1 4.5Å; Y158-I162 HydrophobicContact CE1-CD1 3.6Å; Y158-I162 HydrophobicContact CE1-CG1 4.32Å; Y158-I162 HydrophobicContact CG-CD1 4.42Å; Y158-I162 WeakPolarHBondContact O-CG1 3.41Å; Y158-I162 PolarHBondContact O-N 2.99Å; Y158-H174 AromaticContact CD2-CD2 3.69Å; Y158-H174 AromaticContact CD2-CE1 3.89Å; Y158-H174 AromaticContact CD2-NE2 3.63Å
159F98.2Very high95.6Very high105 Ų10557.8 Ų57.846%0.46130%0.299SS..Hα-helixtrans-58.6-44.1172.8178.1-104.2000111.5L119 T155 I156 I162 I163L119-F159 HydrophobicContact CD1-CD2 3.97Å; L119-F159 HydrophobicContact CD2-CB 3.97Å; T155-F159 PolarHBondContact O-N 3.34Å; I156-F159 WeakPolarHBondContact O-CB 3.25Å; I156-F159 PolarHBondContact O-N 3.03Å; I156-F159 VanDerWaalsContact O-N 3.13Å; F159-I162 PolarHBondContact O-N 2.87Å; F159-I163 HydrophobicContact CE1-CD1 4.16Å; F159-I163 HydrophobicContact CE1-CG2 4.31Å; F159-I163 HydrophobicContact CE2-CG2 4.2Å; F159-I163 HydrophobicContact CZ-CG2 4Å; F159-I163 PolarHBondContact O-N 3.2Å; F159-I163 VanDerWaalsContact O-N 3.16Å
160V98.3Very high95.5Very high38 Ų3856.2 Ų56.223%0.2329%0.29CS..Hα-helixtrans-64.5-39.2176.4178.60000111.5I156 S157 Y158 I162 I163 S164 F170I156-V160 HydrophobicContact CG2-CG2 4.36Å; I156-V160 WeakPolarHBondContact O-CG2 3.33Å; I156-V160 PolarHBondContact O-N 3.46Å; S157-V160 PolarHBondContact O-N 3.16Å; Y158-V160 VanDerWaalsContact C-N 3.3Å; Y158-V160 PolarHBondContact O-N 2.83Å; V160-I162 VanDerWaalsContact C-N 3.33Å; V160-I162 PolarHBondContact O-N 3.08Å; V160-I163 WeakPolarHBondContact O-CG1 3.44Å; V160-S164 WeakPolarHBondContact O-CB 3.37Å; V160-S164 PolarHBondContact O-N 3Å; V160-S164 PolarHBondContact O-OG 3.34Å; V160-F170 HydrophobicContact CB-CD1 4.43Å; V160-F170 HydrophobicContact CG1-CB 4.31Å; V160-F170 HydrophobicContact CG1-CD1 3.37Å; V160-F170 HydrophobicContact CG1-CD2 4.06Å; V160-F170 HydrophobicContact CG1-CE1 3.54Å; V160-F170 HydrophobicContact CG1-CE2 4.2Å; V160-F170 HydrophobicContact CG1-CG 3.65Å; V160-F170 HydrophobicContact CG1-CZ 3.96Å
161E95.7Very high95.3Very high19 Ų1956.1 Ų56.19%0.08929%0.289CS..Hα-helixtrans-57.7-44.8174-174.8-168.9144.700111.5S157 Y158 S164 N165 S166 F170 H174 K175S157-E161 WeakPolarHBondContact O-CB 3.46Å; S157-E161 PolarHBondContact O-N 2.86Å; Y158-E161 WeakPolarHBondContact O-CB 3.43Å; Y158-E161 PolarHBondContact O-N 3.42Å; E161-S164 PolarHBondContact O-N 3.13Å; E161-N165 PolarHBondContact O-N 2.92Å; E161-S166 PolarHBondContact O-N 2.97Å; E161-F170 HydrophobicContact CB-CB 4.32Å; E161-H174 WeakPolarHBondContact OE2-CB 3.38Å; E161-H174 IonicContact OE2-CD2 2.92Å; E161-H174 PolarHBondContact OE2-CD2 2.96Å; E161-H174 IonicContact OE2-CG 3.97Å; E161-K175 IonicContact OE2-NZ 3.78Å
162I94Very high95.3Very high53 Ų5356.6 Ų56.627%0.27229%0.292SS..Hα-helixtrans-62.4-53.6179.7-66.9159.3000111.1D115 L119 Y158 F159 V160 S164 N165D115-I162 HydrophobicContact CB-CD1 3.82Å; D115-I162 HydrophobicContact CB-CG1 4.36Å; L119-I162 HydrophobicContact CD1-CD1 3.89Å; L119-I162 HydrophobicContact CG-CD1 4.35Å; Y158-I162 HydrophobicContact CD1-CD1 3.72Å; Y158-I162 HydrophobicContact CD1-CG1 4.5Å; Y158-I162 HydrophobicContact CE1-CD1 3.6Å; Y158-I162 HydrophobicContact CE1-CG1 4.32Å; Y158-I162 HydrophobicContact CG-CD1 4.42Å; Y158-I162 WeakPolarHBondContact O-CG1 3.41Å; Y158-I162 PolarHBondContact O-N 2.99Å; F159-I162 PolarHBondContact O-N 2.87Å; V160-I162 VanDerWaalsContact C-N 3.33Å; V160-I162 PolarHBondContact O-N 3.08Å; I162-S164 PolarHBondContact O-N 3.33Å; I162-N165 PolarHBondContact O-N 3.27Å
163I96.1Very high95.3Very high101 Ų10157.5 Ų57.552%0.51830%0.296SS..Hα-helixtrans-69-22.3-17766.5176.8000112.5F159 V160 N165F159-I163 HydrophobicContact CE1-CD1 4.16Å; F159-I163 HydrophobicContact CE1-CG2 4.31Å; F159-I163 HydrophobicContact CE2-CG2 4.2Å; F159-I163 HydrophobicContact CZ-CG2 4Å; F159-I163 PolarHBondContact O-N 3.2Å; F159-I163 VanDerWaalsContact O-N 3.16Å; V160-I163 WeakPolarHBondContact O-CG1 3.44Å; I163-N165 VanDerWaalsContact C-N 3.26Å; I163-N165 PolarHBondContact O-N 3.49Å
164S93.7Very high95.3Very high34 Ų3452.2 Ų52.224%0.23827%0.273CS..THydrogen-bonded Turntrans-89.616.2177.6-53.30000113.1V160 E161 I162 S166 N167 F170V160-S164 WeakPolarHBondContact O-CB 3.37Å; V160-S164 PolarHBondContact O-N 3Å; V160-S164 PolarHBondContact O-OG 3.34Å; E161-S164 PolarHBondContact O-N 3.13Å; I162-S164 PolarHBondContact O-N 3.33Å; S164-S166 VanDerWaalsContact C-N 3.29Å; S164-S166 PolarHBondContact O-N 3.4Å; S164-N167 PolarHBondContact O-N 3.36Å; S164-F170 WeakPolarHBondContact OG-CD2 3.41Å; S164-F170 VanDerWaalsContact OG-CE2 3.26Å; S164-F170 WeakPolarHBondContact OG-CE2 3.38Å
165N89Confident95.3Very high148 Ų14852.7 Ų52.779%0.79128%0.275SS*.THydrogen-bonded Turntrans5342.1179.9-62.2-57.7000113.4E161 I162 I163 N167E161-N165 PolarHBondContact O-N 2.92Å; I162-N165 PolarHBondContact O-N 3.27Å; I163-N165 VanDerWaalsContact C-N 3.26Å; I163-N165 PolarHBondContact O-N 3.49Å; N165-N167 VanDerWaalsContact C-N 3.32Å; N165-N167 PolarHBondContact O-N 2.97Å
166S85.6Confident95.3Very high49 Ų4953.7 Ų53.734%0.34328%0.278SS..THydrogen-bonded Turntrans59.338.8-179.9-56.20000113.6E161 S164 L168E161-S166 PolarHBondContact O-N 2.97Å; S164-S166 VanDerWaalsContact C-N 3.29Å; S164-S166 PolarHBondContact O-N 3.4Å; S166-L168 PolarHBondContact O-N 3.39Å
167N90.1Very high95.3Very high74 Ų7450.3 Ų50.340%0.39626%0.261SS..  trans-55.6132.9168.5-178.4-63.6000110.3S164 N165 I169 F170 S171S164-N167 PolarHBondContact O-N 3.36Å; N165-N167 VanDerWaalsContact C-N 3.32Å; N165-N167 PolarHBondContact O-N 2.97Å; N167-I169 PolarHBondContact O-N 2.91Å; N167-I169 VanDerWaalsContact O-N 3.15Å; N167-I169 WeakPolarHBondContact OD1-CB 3.24Å; N167-I169 PolarHBondContact OD1-N 2.95Å; N167-F170 HydrophobicContact CB-CD2 3.98Å; N167-F170 PolarHBondContact O-N 3Å; N167-F170 VanDerWaalsContact O-N 3.14Å; N167-S171 PolarHBondContact O-N 3.15Å; N167-S171 VanDerWaalsContact O-N 3.12Å
168L90Very high95.3Very high38 Ų3850.6 Ų50.620%0.19926%0.262CS..Hα-helixtrans-53-39.9-175-179.265.4000113.1E25 L26 F29 S166 F170 S171 L172E25-L168 HydrophobicContact CG-CD1 4.4Å; L26-L168 HydrophobicContact CD2-CD1 4.48Å; F29-L168 HydrophobicContact CD1-CD2 4.06Å; F29-L168 HydrophobicContact CD2-CD2 3.76Å; F29-L168 HydrophobicContact CE1-CD2 4.02Å; F29-L168 HydrophobicContact CE2-CD2 3.72Å; F29-L168 HydrophobicContact CG-CD2 3.92Å; F29-L168 HydrophobicContact CZ-CD2 3.85Å; S166-L168 PolarHBondContact O-N 3.39Å; L168-F170 PolarHBondContact O-N 3.48Å; L168-S171 PolarHBondContact O-N 3.03Å; L168-L172 HydrophobicContact CD1-CD1 4.34Å; L168-L172 HydrophobicContact CD1-CG 4.15Å; L168-L172 HydrophobicContact CG-CD1 4.04Å; L168-L172 HydrophobicContact CG-CG 4.26Å; L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.09Å
169I94.2Very high95.3Very high111 Ų11149.9 Ų49.957%0.56926%0.26SS*.Hα-helixtrans-62.3-48-177.6-63.2175.3000110.4N167 L172 I173N167-I169 PolarHBondContact O-N 2.91Å; N167-I169 VanDerWaalsContact O-N 3.15Å; N167-I169 WeakPolarHBondContact OD1-CB 3.24Å; N167-I169 PolarHBondContact OD1-N 2.95Å; I169-L172 PolarHBondContact O-N 3.09Å; I169-I173 HydrophobicContact CG2-CD1 4.05Å; I169-I173 WeakPolarHBondContact O-CG1 3.24Å; I169-I173 PolarHBondContact O-N 3.25Å
170F96.6Very high95.4Very high73 Ų7345.3 Ų45.332%0.3224%0.24SC..Hα-helixtrans-70.4-34.5-178.3-64.3-58.8000112.3V160 E161 S164 N167 L168 I173 H174V160-F170 HydrophobicContact CB-CD1 4.43Å; V160-F170 HydrophobicContact CG1-CB 4.31Å; V160-F170 HydrophobicContact CG1-CD1 3.37Å; V160-F170 HydrophobicContact CG1-CD2 4.06Å; V160-F170 HydrophobicContact CG1-CE1 3.54Å; V160-F170 HydrophobicContact CG1-CE2 4.2Å; V160-F170 HydrophobicContact CG1-CG 3.65Å; V160-F170 HydrophobicContact CG1-CZ 3.96Å; E161-F170 HydrophobicContact CB-CB 4.32Å; S164-F170 WeakPolarHBondContact OG-CD2 3.41Å; S164-F170 VanDerWaalsContact OG-CE2 3.26Å; S164-F170 WeakPolarHBondContact OG-CE2 3.38Å; N167-F170 HydrophobicContact CB-CD2 3.98Å; N167-F170 PolarHBondContact O-N 3Å; N167-F170 VanDerWaalsContact O-N 3.14Å; L168-F170 PolarHBondContact O-N 3.48Å; F170-I173 HydrophobicContact CD1-CD1 4.14Å; F170-I173 PolarHBondContact O-N 3.24Å; F170-H174 PolarHBondContact O-N 3.45Å
171S94.3Very high95.4Very high0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-66.8-40.5173-170.60000112.2E25 N167 L168 I173 H174 K175E25-S171 WeakPolarHBondContact OE1-CB 3.48Å; E25-S171 PolarHBondContact OE1-OG 3.37Å; E25-S171 PolarHBondContact OE2-OG 3.11Å; N167-S171 PolarHBondContact O-N 3.15Å; N167-S171 VanDerWaalsContact O-N 3.12Å; L168-S171 PolarHBondContact O-N 3.03Å; S171-I173 VanDerWaalsContact C-N 3.32Å; S171-I173 PolarHBondContact O-N 3.49Å; S171-H174 PolarHBondContact O-N 3.42Å; S171-H174 VanDerWaalsContact O-N 3.15Å; S171-K175 WeakPolarHBondContact O-CG 3.36Å; S171-K175 PolarHBondContact O-N 3.46Å
172L97Very high95.5Very high29 Ų2943 Ų4315%0.15223%0.227CC..Hα-helixtrans-60.3-41.4173.1-73177.4000112.1L22 L26 L168 I169 H174 K175 F176 I228L22-L172 HydrophobicContact CD1-CD2 3.38Å; L26-L172 HydrophobicContact CD2-CD2 3.97Å; L26-L172 HydrophobicContact CG-CD2 4.42Å; L168-L172 HydrophobicContact CD1-CD1 4.34Å; L168-L172 HydrophobicContact CD1-CG 4.15Å; L168-L172 HydrophobicContact CG-CD1 4.04Å; L168-L172 HydrophobicContact CG-CG 4.26Å; L168-L172 WeakPolarHBondContact O-CB 3.48Å; L168-L172 VanDerWaalsContact O-CG 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.46Å; L168-L172 PolarHBondContact O-N 3.09Å; I169-L172 PolarHBondContact O-N 3.09Å; L172-H174 VanDerWaalsContact C-N 3.35Å; L172-K175 PolarHBondContact O-N 2.94Å; L172-F176 VanDerWaalsContact O-CB 3.25Å; L172-F176 WeakPolarHBondContact O-CB 3.47Å; L172-F176 PolarHBondContact O-N 3.33Å; L172-I228 HydrophobicContact CD2-CG2 4.31Å
173I98.4Very high95.7Very high76 Ų7641.6 Ų41.639%0.3922%0.222SC..Hα-helixtrans-61-46174-67.8166000110.1I169 F170 S171 F176 C177I169-I173 HydrophobicContact CG2-CD1 4.05Å; I169-I173 WeakPolarHBondContact O-CG1 3.24Å; I169-I173 PolarHBondContact O-N 3.25Å; F170-I173 HydrophobicContact CD1-CD1 4.14Å; F170-I173 PolarHBondContact O-N 3.24Å; S171-I173 VanDerWaalsContact C-N 3.32Å; S171-I173 PolarHBondContact O-N 3.49Å; I173-F176 WeakPolarHBondContact O-CB 3.42Å; I173-F176 PolarHBondContact O-N 3.43Å; I173-C177 PolarHBondContact O-N 2.92Å; I173-C177 PolarHBondContact O-SG 2.94Å
174H98.3Very high95.8Very high4 Ų436.8 Ų36.82%0.01920%0.197CC..Hα-helixtrans-62.5-45.1178.3169.858.8000112.3Y118 T154 S157 Y158 E161 F170 S171 L172 F176 C177 L178Y118-H174 PolarHBondContact OH-CE1 3.35Å; T154-H174 PolarHBondContact O-ND1 3.25Å; S157-H174 WeakPolarHBondContact OG-CA 3.15Å; Y158-H174 AromaticContact CD2-CD2 3.69Å; Y158-H174 AromaticContact CD2-CE1 3.89Å; Y158-H174 AromaticContact CD2-NE2 3.63Å; E161-H174 WeakPolarHBondContact OE2-CB 3.38Å; E161-H174 IonicContact OE2-CD2 2.92Å; E161-H174 PolarHBondContact OE2-CD2 2.96Å; E161-H174 IonicContact OE2-CG 3.97Å; F170-H174 PolarHBondContact O-N 3.45Å; S171-H174 PolarHBondContact O-N 3.42Å; S171-H174 VanDerWaalsContact O-N 3.15Å; L172-H174 VanDerWaalsContact C-N 3.35Å; H174-F176 VanDerWaalsContact C-N 3.33Å; H174-F176 PolarHBondContact O-N 3.17Å; H174-C177 PolarHBondContact O-N 3.47Å; H174-L178 WeakPolarHBondContact O-CB 3.36Å; H174-L178 PolarHBondContact O-N 2.89Å
175K98.1Very high96Very high18 Ų1836.2 Ų36.28%0.07819%0.192CC..Hα-helixtrans-63.6-39.2175-60.4-43.9179.7-113.20111.8N21 L22 E161 S171 L172 L178 I179N21-K175 HydrophobicContact CB-CD 4.38Å; L22-K175 HydrophobicContact CB-CB 4.19Å; L22-K175 HydrophobicContact CB-CG 4.15Å; L22-K175 HydrophobicContact CD1-CB 4.18Å; L22-K175 HydrophobicContact CD1-CG 4.34Å; E161-K175 IonicContact OE2-NZ 3.78Å; S171-K175 WeakPolarHBondContact O-CG 3.36Å; S171-K175 PolarHBondContact O-N 3.46Å; L172-K175 PolarHBondContact O-N 2.94Å; K175-L178 PolarHBondContact O-N 2.96Å; K175-I179 WeakPolarHBondContact O-CD1 3.37Å; K175-I179 WeakPolarHBondContact O-CG1 3.19Å; K175-I179 PolarHBondContact O-N 2.9Å
176F98.7Very high96.4Very high39 Ų3929.8 Ų29.817%0.17116%0.158CC..Hα-helixtrans-57-52.3173.2171.8-86.1000111L172 I173 H174 L178 I179 L180 M221 I224 I228L172-F176 VanDerWaalsContact O-CB 3.25Å; L172-F176 WeakPolarHBondContact O-CB 3.47Å; L172-F176 PolarHBondContact O-N 3.33Å; I173-F176 WeakPolarHBondContact O-CB 3.42Å; I173-F176 PolarHBondContact O-N 3.43Å; H174-F176 VanDerWaalsContact C-N 3.33Å; H174-F176 PolarHBondContact O-N 3.17Å; F176-L178 VanDerWaalsContact C-N 3.31Å; F176-L178 PolarHBondContact O-N 3.35Å; F176-I179 PolarHBondContact O-N 2.9Å; F176-L180 HydrophobicContact CE1-CD2 3.91Å; F176-L180 HydrophobicContact CZ-CD2 4.32Å; F176-L180 VanDerWaalsContact O-CB 3.32Å; F176-L180 WeakPolarHBondContact O-CB 3.14Å; F176-L180 PolarHBondContact O-N 3.27Å; F176-M221 HydrophobicContact CE2-CB 4.45Å; F176-M221 HydrophobicContact CZ-CB 3.9Å; F176-M221 HydrophobicContact CZ-CG 4.03Å; F176-I224 HydrophobicContact CD2-CB 4.03Å; F176-I224 HydrophobicContact CD2-CG2 3.42Å; F176-I224 VanDerWaalsContact CD2-CG2 3.42Å; F176-I224 HydrophobicContact CE2-CB 3.94Å; F176-I224 HydrophobicContact CE2-CG2 3.88Å; F176-I224 HydrophobicContact CG-CG2 4.21Å; F176-I228 HydrophobicContact CB-CD1 4.16Å; F176-I228 HydrophobicContact CD2-CD1 4.17Å
177C98.7Very high97Very high13 Ų1329.4 Ų29.49%0.08815%0.151CC..Hα-helixtrans-62.2-37.5179.4-67.50000112.4T154 I173 H174 L180 T181T154-C177 VanDerWaalsContact OG1-C 3.24Å; T154-C177 WeakPolarHBondContact OG1-CB 3.46Å; T154-C177 PolarHBondContact OG1-O 3.18Å; I173-C177 PolarHBondContact O-N 2.92Å; I173-C177 PolarHBondContact O-SG 2.94Å; H174-C177 PolarHBondContact O-N 3.47Å; C177-L180 PolarHBondContact O-N 3.41Å; C177-T181 WeakPolarHBondContact O-CB 3.11Å; C177-T181 PolarHBondContact O-N 3.38Å; C177-T181 PolarHBondContact O-OG1 2.94Å
178L98.2Very high97.3Very high16 Ų1625.9 Ų25.98%0.08413%0.132CC..Hα-helixtrans-69.4-43.5178.6-166.966000111.6I14 A18 T154 H174 K175 F176 L180 T181 G182I14-L178 HydrophobicContact CG2-CD1 3.71Å; I14-L178 HydrophobicContact CG2-CG 3.9Å; I14-L178 VanDerWaalsContact CG2-O 3.25Å; I14-L178 WeakPolarHBondContact CG2-O 3.34Å; A18-L178 HydrophobicContact CB-CB 3.92Å; A18-L178 HydrophobicContact CB-CD2 3.65Å; A18-L178 HydrophobicContact CB-CG 3.74Å; T154-L178 HydrophobicContact CG2-CB 4.16Å; T154-L178 HydrophobicContact CG2-CD1 3.65Å; T154-L178 HydrophobicContact CG2-CG 4.49Å; H174-L178 WeakPolarHBondContact O-CB 3.36Å; H174-L178 PolarHBondContact O-N 2.89Å; K175-L178 PolarHBondContact O-N 2.96Å; F176-L178 VanDerWaalsContact C-N 3.31Å; F176-L178 PolarHBondContact O-N 3.35Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.36Å; L178-T181 PolarHBondContact O-N 3.02Å; L178-G182 PolarHBondContact O-N 3.32Å
179I98.8Very high97.6Very high10 Ų1024 Ų245%0.05112%0.123CC..Hα-helixtrans-62.7-40.7173.2-62.2163000110.3A18 L19 L22 K175 F176 G182 S183 I224A18-I179 HydrophobicContact CB-CB 4.49Å; A18-I179 HydrophobicContact CB-CD1 4.49Å; A18-I179 HydrophobicContact CB-CG1 3.49Å; A18-I179 VanDerWaalsContact CB-CG1 3.49Å; L19-I179 HydrophobicContact CD2-CD1 3.78Å; L19-I179 HydrophobicContact CD2-CG1 4.38Å; L19-I179 HydrophobicContact CG-CD1 4.2Å; L19-I179 HydrophobicContact CG-CG1 4.29Å; L22-I179 HydrophobicContact CD2-CD1 3.95Å; K175-I179 WeakPolarHBondContact O-CD1 3.37Å; K175-I179 WeakPolarHBondContact O-CG1 3.19Å; K175-I179 PolarHBondContact O-N 2.9Å; F176-I179 PolarHBondContact O-N 2.9Å; I179-G182 PolarHBondContact O-N 3.14Å; I179-S183 WeakPolarHBondContact O-CB 3.33Å; I179-S183 PolarHBondContact O-N 3.46Å; I179-S183 PolarHBondContact O-OG 3.26Å; I179-I224 HydrophobicContact CB-CD1 4.2Å; I179-I224 HydrophobicContact CB-CG1 4.45Å; I179-I224 HydrophobicContact CB-CG2 4.21Å; I179-I224 HydrophobicContact CD1-CG2 4.22Å; I179-I224 HydrophobicContact CG2-CD1 3.77Å; I179-I224 HydrophobicContact CG2-CG1 3.71Å; I179-I224 HydrophobicContact CG2-CG2 4.17Å
180L98.7Very high97.7Very high9 Ų921.9 Ų21.95%0.04711%0.109CC..Hα-helixtrans-62.4-44.9177.9-172.360.5000111T150 F176 C177 L178 G182 S183 W184 F217 H220 M221 I224T150-L180 HydrophobicContact CG2-CD2 3.95Å; T150-L180 HydrophobicContact CG2-CG 3.87Å; F176-L180 HydrophobicContact CE1-CD2 3.91Å; F176-L180 HydrophobicContact CZ-CD2 4.32Å; F176-L180 VanDerWaalsContact O-CB 3.32Å; F176-L180 WeakPolarHBondContact O-CB 3.14Å; F176-L180 PolarHBondContact O-N 3.27Å; C177-L180 PolarHBondContact O-N 3.41Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.36Å; L180-G182 PolarHBondContact O-N 3.46Å; L180-S183 PolarHBondContact O-OG 2.86Å; L180-W184 WeakPolarHBondContact O-CB 3.3Å; L180-W184 PolarHBondContact O-N 2.93Å; L180-F217 HydrophobicContact CD1-CD2 4.25Å; L180-F217 HydrophobicContact CD1-CE2 3.72Å; L180-F217 HydrophobicContact CD1-CZ 4.2Å; L180-F217 HydrophobicContact CD2-CE2 3.92Å; L180-F217 HydrophobicContact CD2-CZ 3.62Å; L180-F217 HydrophobicContact CG-CE2 3.81Å; L180-F217 HydrophobicContact CG-CZ 4.06Å; L180-H220 HydrophobicContact CD1-CB 3.79Å; L180-M221 HydrophobicContact CD1-CG 4.1Å; L180-M221 HydrophobicContact CD2-CG 4.1Å; L180-I224 HydrophobicContact CB-CD1 3.8Å; L180-I224 HydrophobicContact CD1-CD1 3.81Å; L180-I224 HydrophobicContact CG-CD1 4.41Å
181T98.5Very high97.6Very high7 Ų718.7 Ų18.74%0.04310%0.095CC..Hα-helixtrans-57.6-49.9174.4-60.50000111.5L147 T150 I151 T154 C177 L178 L185L147-T181 HydrophobicContact CD1-CG2 3.99Å; T150-T181 VanDerWaalsContact CB-OG1 3.31Å; T150-T181 WeakPolarHBondContact CB-OG1 3.48Å; T150-T181 PolarHBondContact O-OG1 3.49Å; T150-T181 WeakPolarHBondContact OG1-CA 3.27Å; T150-T181 PolarHBondContact OG1-OG1 3.01Å; T150-T181 VanDerWaalsContact OG1-OG1 3.08Å; I151-T181 HydrophobicContact CD1-CG2 4.45Å; I151-T181 HydrophobicContact CG1-CG2 3.66Å; T154-T181 PolarHBondContact OG1-OG1 3.27Å; T154-T181 VanDerWaalsContact OG1-OG1 3.13Å; C177-T181 WeakPolarHBondContact O-CB 3.11Å; C177-T181 PolarHBondContact O-N 3.38Å; C177-T181 PolarHBondContact O-OG1 2.94Å; L178-T181 PolarHBondContact O-N 3.02Å; T181-L185 VanDerWaalsContact O-CB 3.3Å; T181-L185 WeakPolarHBondContact O-CB 3.29Å; T181-L185 PolarHBondContact O-N 2.88Å
182G98.1Very high97.6Very high0 Ų019.4 Ų19.40%010%0.099CC..Hα-helixtrans-65.1-47.4-179.300000113.2G11 L178 I179 L180 W184 L185 C186G11-G182 CarbonylContact C-O 3.55Å; G11-G182 WeakPolarHBondContact CA-O 3.49Å; G11-G182 CarbonylContact O-C 3.41Å; G11-G182 WeakPolarHBondContact O-CA 3.48Å; L178-G182 PolarHBondContact O-N 3.32Å; I179-G182 PolarHBondContact O-N 3.14Å; L180-G182 PolarHBondContact O-N 3.46Å; G182-W184 PolarHBondContact O-N 3.02Å; G182-L185 PolarHBondContact O-N 2.76Å; G182-C186 PolarHBondContact O-N 3.02Å
183S98.6Very high97.5Very high24 Ų2421.2 Ų21.217%0.16810%0.104CC..Hα-helixtrans-66.3-38.518065.10000112.6I179 L180 C186 Q187 H220I179-S183 WeakPolarHBondContact O-CB 3.33Å; I179-S183 PolarHBondContact O-N 3.46Å; I179-S183 PolarHBondContact O-OG 3.26Å; L180-S183 PolarHBondContact O-OG 2.86Å; S183-C186 WeakPolarHBondContact O-CB 3.37Å; S183-C186 PolarHBondContact O-N 3.39Å; S183-Q187 PolarHBondContact O-N 3.16Å; S183-H220 WeakPolarHBondContact CB-ND1 3.29Å; S183-H220 PolarHBondContact O-CE1 3.37Å; S183-H220 PolarHBondContact OG-ND1 3Å
184W98.6Very high97.2Very high0 Ų019.5 Ų19.50%010%0.098CC..Hα-helixtrans-70-37.5177.5-170.6-111.1000112.1V143 I146 L180 G182 C186 Q187 I188 Y191 A213 I216 F217V143-W184 HydrophobicContact CB-CZ2 4.23Å; V143-W184 HydrophobicContact CG1-CZ2 4.31Å; V143-W184 PolarHBondContact O-NE1 3.5Å; I146-W184 HydrophobicContact CB-CZ2 4.17Å; I146-W184 HydrophobicContact CD1-CH2 4.39Å; I146-W184 HydrophobicContact CD1-CZ2 3.72Å; I146-W184 HydrophobicContact CG2-CD2 4.2Å; I146-W184 HydrophobicContact CG2-CG 4.35Å; I146-W184 HydrophobicContact CG2-CZ2 3.99Å; L180-W184 WeakPolarHBondContact O-CB 3.3Å; L180-W184 PolarHBondContact O-N 2.93Å; G182-W184 PolarHBondContact O-N 3.02Å; W184-C186 VanDerWaalsContact C-N 3.26Å; W184-C186 PolarHBondContact O-N 3.35Å; W184-Q187 HydrophobicContact CD2-CB 4.41Å; W184-Q187 HydrophobicContact CE3-CB 3.88Å; W184-Q187 HydrophobicContact CE3-CG 3.92Å; W184-Q187 HydrophobicContact CH2-CG 4.43Å; W184-Q187 HydrophobicContact CZ3-CB 4.26Å; W184-Q187 HydrophobicContact CZ3-CG 3.76Å; W184-Q187 WeakPolarHBondContact O-CA 3.47Å; W184-Q187 WeakPolarHBondContact O-CB 3.26Å; W184-Q187 PolarHBondContact O-N 3.33Å; W184-I188 WeakPolarHBondContact O-CG1 3.16Å; W184-I188 PolarHBondContact O-N 3.18Å; W184-Y191 AromaticContact CH2-CE2 3.84Å; W184-Y191 HydrophobicContact CH2-CE2 3.84Å; W184-Y191 HydrophobicContact CZ2-CE2 4.36Å; W184-Y191 HydrophobicContact CZ3-CE2 4.36Å; W184-A213 HydrophobicContact CH2-CB 4.26Å; W184-A213 WeakPolarHBondContact CH2-O 3.44Å; W184-I216 HydrophobicContact CZ3-CG2 4.3Å; W184-F217 AromaticContact CD2-CD2 3.69Å; W184-F217 HydrophobicContact CD2-CD2 3.69Å; W184-F217 HydrophobicContact CD2-CE2 4.32Å; W184-F217 HydrophobicContact CE3-CB 4.15Å; W184-F217 AromaticContact CE3-CD2 3.61Å; W184-F217 HydrophobicContact CE3-CD2 3.61Å; W184-F217 HydrophobicContact CE3-CG 4.39Å; W184-F217 HydrophobicContact CG-CD2 4.17Å; W184-F217 HydrophobicContact CG-CE2 4.35Å; W184-F217 HydrophobicContact CH2-CB 3.72Å; W184-F217 HydrophobicContact CH2-CD2 4.34Å; W184-F217 HydrophobicContact CH2-CG 4.48Å; W184-F217 HydrophobicContact CZ2-CB 4.39Å; W184-F217 HydrophobicContact CZ2-CD2 4.43Å; W184-F217 HydrophobicContact CZ3-CB 3.59Å; W184-F217 AromaticContact CZ3-CD2 3.95Å; W184-F217 HydrophobicContact CZ3-CD2 3.95Å; W184-F217 HydrophobicContact CZ3-CG 4.28Å
185L96.6Very high96.9Very high22 Ų2221.8 Ų21.812%0.11511%0.113CC..Hα-helixtrans-58.8-40.4173-173.259000111.2H7 P10 I14 L147 T181 G182 G189H7-L185 WeakPolarHBondContact CB-O 3.14Å; P10-L185 HydrophobicContact CB-CD2 3.8Å; P10-L185 HydrophobicContact CG-CD2 3.76Å; I14-L185 HydrophobicContact CD1-CD2 4.33Å; L147-L185 HydrophobicContact CD1-CB 4.04Å; L147-L185 HydrophobicContact CD1-CD1 4.36Å; L147-L185 HydrophobicContact CD2-CD1 3.63Å; T181-L185 VanDerWaalsContact O-CB 3.3Å; T181-L185 WeakPolarHBondContact O-CB 3.29Å; T181-L185 PolarHBondContact O-N 2.88Å; G182-L185 PolarHBondContact O-N 2.76Å; L185-G189 PolarHBondContact O-N 3.03Å
186C98Very high96.7Very high14 Ų1427.1 Ų27.110%0.09513%0.133CC..Hα-helixtrans-63.3-42.9171-64.40000112.7I8 L12 G182 S183 W184 I188 G189 F190I8-C186 HydrophobicContact CD1-CB 3.96Å; L12-C186 PolarHBondContact N-SG 3.32Å; G182-C186 PolarHBondContact O-N 3.02Å; S183-C186 WeakPolarHBondContact O-CB 3.37Å; S183-C186 PolarHBondContact O-N 3.39Å; W184-C186 VanDerWaalsContact C-N 3.26Å; W184-C186 PolarHBondContact O-N 3.35Å; C186-I188 VanDerWaalsContact C-N 3.31Å; C186-I188 PolarHBondContact O-N 3.41Å; C186-G189 WeakPolarHBondContact O-CA 3.38Å; C186-G189 PolarHBondContact O-N 3.33Å; C186-F190 VanDerWaalsContact O-CD2 3.31Å; C186-F190 WeakPolarHBondContact O-CD2 3.32Å; C186-F190 PolarHBondContact O-N 2.88Å
187Q98.1Very high96.4Very high40 Ų4031.3 Ų31.319%0.18717%0.167CC..Hα-helixtrans-59.4-40.8179.9-172.960.739.500111.9S183 W184 G189 F190 Y191 I216S183-Q187 PolarHBondContact O-N 3.16Å; W184-Q187 HydrophobicContact CD2-CB 4.41Å; W184-Q187 HydrophobicContact CE3-CB 3.88Å; W184-Q187 HydrophobicContact CE3-CG 3.92Å; W184-Q187 HydrophobicContact CH2-CG 4.43Å; W184-Q187 HydrophobicContact CZ3-CB 4.26Å; W184-Q187 HydrophobicContact CZ3-CG 3.76Å; W184-Q187 WeakPolarHBondContact O-CA 3.47Å; W184-Q187 WeakPolarHBondContact O-CB 3.26Å; W184-Q187 PolarHBondContact O-N 3.33Å; Q187-G189 VanDerWaalsContact C-N 3.28Å; Q187-G189 PolarHBondContact O-N 2.92Å; Q187-F190 PolarHBondContact O-N 3.46Å; Q187-F190 VanDerWaalsContact O-N 3.16Å; Q187-Y191 HydrophobicContact CG-CD2 4.08Å; Q187-Y191 HydrophobicContact CG-CE1 4.47Å; Q187-Y191 HydrophobicContact CG-CE2 3.6Å; Q187-Y191 VanDerWaalsContact NE2-CZ 3.28Å; Q187-Y191 PolarHBondContact O-N 3.41Å; Q187-I216 HydrophobicContact CG-CG2 4.12Å
188I97.3Very high96.1Very high0 Ų039.5 Ų39.50%020%0.196CC..Hα-helixtrans-58.3-42.2173.9-65.9170.7000110.8H7 V143 L147 W184 C186 F190 Y191 L192H7-I188 VanDerWaalsContact CD2-CG2 3.42Å; H7-I188 WeakPolarHBondContact CD2-CG2 3.48Å; H7-I188 WeakPolarHBondContact NE2-CG2 3.42Å; V143-I188 HydrophobicContact CB-CG1 4.03Å; V143-I188 HydrophobicContact CG2-CD1 4.47Å; V143-I188 HydrophobicContact CG2-CG1 3.98Å; V143-I188 HydrophobicContact CG2-CG2 4.12Å; L147-I188 HydrophobicContact CB-CD1 3.87Å; L147-I188 HydrophobicContact CD2-CD1 4.05Å; L147-I188 HydrophobicContact CG-CD1 4.44Å; W184-I188 WeakPolarHBondContact O-CG1 3.16Å; W184-I188 PolarHBondContact O-N 3.18Å; C186-I188 VanDerWaalsContact C-N 3.31Å; C186-I188 PolarHBondContact O-N 3.41Å; I188-F190 VanDerWaalsContact C-N 3.31Å; I188-F190 PolarHBondContact O-N 3.23Å; I188-Y191 PolarHBondContact O-N 3.08Å; I188-Y191 VanDerWaalsContact O-N 3.15Å; I188-L192 HydrophobicContact CG2-CD1 3.61Å; I188-L192 HydrophobicContact CG2-CG 4.09Å; I188-L192 PolarHBondContact O-N 3.48Å
189G95.4Very high95.9Very high0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-54.2-47.317500000112.2F4 L185 C186 Q187 Y193F4-G189 WeakPolarHBondContact CD2-O 3.49Å; L185-G189 PolarHBondContact O-N 3.03Å; C186-G189 WeakPolarHBondContact O-CA 3.38Å; C186-G189 PolarHBondContact O-N 3.33Å; Q187-G189 VanDerWaalsContact C-N 3.28Å; Q187-G189 PolarHBondContact O-N 2.92Å; G189-Y193 CarbonylContact O-C 3.27Å; G189-Y193 WeakPolarHBondContact O-CA 3.24Å; G189-Y193 WeakPolarHBondContact O-CB 3.46Å; G189-Y193 PolarHBondContact O-N 3Å
190F96.1Very high95.5Very high66 Ų6645 Ų4529%0.28923%0.229SC..Hα-helixtrans-68.7-33.4177.3-73.5-73.7000113.9F4 I8 C186 Q187 I188 P195 W196 L199F4-F190 AromaticContact CE2-CD1 3.93Å; F4-F190 HydrophobicContact CE2-CD1 3.93Å; F4-F190 AromaticContact CE2-CE1 3.94Å; F4-F190 HydrophobicContact CE2-CE1 3.94Å; F4-F190 HydrophobicContact CE2-CG 4.28Å; F4-F190 HydrophobicContact CE2-CZ 4.31Å; F4-F190 HydrophobicContact CZ-CD1 4.33Å; F4-F190 AromaticContact CZ-CE1 3.87Å; F4-F190 HydrophobicContact CZ-CE1 3.87Å; F4-F190 HydrophobicContact CZ-CZ 4.07Å; I8-F190 HydrophobicContact CD1-CD2 4.03Å; I8-F190 HydrophobicContact CD1-CE2 3.61Å; I8-F190 HydrophobicContact CD1-CZ 4.15Å; C186-F190 VanDerWaalsContact O-CD2 3.31Å; C186-F190 WeakPolarHBondContact O-CD2 3.32Å; C186-F190 PolarHBondContact O-N 2.88Å; Q187-F190 PolarHBondContact O-N 3.46Å; Q187-F190 VanDerWaalsContact O-N 3.16Å; I188-F190 VanDerWaalsContact C-N 3.31Å; I188-F190 PolarHBondContact O-N 3.23Å; F190-P195 HydrophobicContact CD1-CG 4.27Å; F190-P195 HydrophobicContact CE1-CG 4.04Å; F190-W196 HydrophobicContact CE1-CH2 4.14Å; F190-W196 AromaticContact CE1-CZ3 3.86Å; F190-W196 HydrophobicContact CE1-CZ3 3.86Å; F190-L199 HydrophobicContact CD1-CD1 4.14Å
191Y95.9Very high95.2Very high6 Ų650.3 Ų50.32%0.02426%0.262CS..Hα-helixtrans-68.9-47.8177.4-76.5-28.5000113F139 V143 W184 Q187 I188 W202 A213 I216F139-Y191 HydrophobicContact CE1-CG 4.23Å; F139-Y191 HydrophobicContact CZ-CD1 4.25Å; F139-Y191 AromaticContact CZ-CD2 3.98Å; F139-Y191 HydrophobicContact CZ-CD2 3.98Å; F139-Y191 HydrophobicContact CZ-CE2 4.44Å; F139-Y191 AromaticContact CZ-CG 3.87Å; F139-Y191 HydrophobicContact CZ-CG 3.87Å; V143-Y191 HydrophobicContact CG1-CD2 3.94Å; V143-Y191 HydrophobicContact CG1-CE2 4.23Å; W184-Y191 AromaticContact CH2-CE2 3.84Å; W184-Y191 HydrophobicContact CH2-CE2 3.84Å; W184-Y191 HydrophobicContact CZ2-CE2 4.36Å; W184-Y191 HydrophobicContact CZ3-CE2 4.36Å; Q187-Y191 HydrophobicContact CG-CD2 4.08Å; Q187-Y191 HydrophobicContact CG-CE1 4.47Å; Q187-Y191 HydrophobicContact CG-CE2 3.6Å; Q187-Y191 VanDerWaalsContact NE2-CZ 3.28Å; Q187-Y191 PolarHBondContact O-N 3.41Å; I188-Y191 PolarHBondContact O-N 3.08Å; I188-Y191 VanDerWaalsContact O-N 3.15Å; Y191-W202 AromaticContact CD1-CD1 3.85Å; Y191-W202 AromaticContact CD1-CD2 3.97Å; Y191-W202 HydrophobicContact CD1-CD2 3.97Å; Y191-W202 AromaticContact CD1-CE2 3.51Å; Y191-W202 HydrophobicContact CD1-CG 4.19Å; Y191-W202 AromaticContact CD1-CZ2 3.93Å; Y191-W202 HydrophobicContact CD1-CZ2 3.93Å; Y191-W202 AromaticContact CD1-NE1 3.45Å; Y191-W202 HydrophobicContact CE1-CD2 4.16Å; Y191-W202 AromaticContact CE1-CE2 3.52Å; Y191-W202 AromaticContact CE1-CH2 3.97Å; Y191-W202 HydrophobicContact CE1-CH2 3.97Å; Y191-W202 AromaticContact CE1-CZ2 3.42Å; Y191-W202 HydrophobicContact CE1-CZ2 3.42Å; Y191-W202 VanDerWaalsContact CE1-CZ2 3.42Å; Y191-W202 AromaticContact CE1-NE1 3.9Å; Y191-A213 HydrophobicContact CE2-CB 4.01Å; Y191-I216 WeakPolarHBondContact OH-CB 3.33Å; Y191-I216 VanDerWaalsContact OH-CG1 3.24Å; Y191-I216 WeakPolarHBondContact OH-CG1 3.35Å; Y191-I216 WeakPolarHBondContact OH-CG2 3.49Å
192L94.6Very high94.9Very high15 Ų1552.7 Ų52.78%0.07927%0.27CS..Hα-helixtrans-88.3-27.1-172.3-60-177000112.7F139 D140 I188F139-L192 HydrophobicContact CD1-CD2 4.28Å; F139-L192 HydrophobicContact CE1-CD2 4.41Å; D140-L192 HydrophobicContact CB-CD1 4.48Å; D140-L192 HydrophobicContact CB-CD2 4.05Å; D140-L192 VanDerWaalsContact OD1-CD1 3.3Å; D140-L192 WeakPolarHBondContact OD1-CD1 3.33Å; I188-L192 HydrophobicContact CG2-CD1 3.61Å; I188-L192 HydrophobicContact CG2-CG 4.09Å; I188-L192 PolarHBondContact O-N 3.48Å
193Y93.1Very high94.8Very high67 Ų6756.9 Ų56.926%0.26329%0.292SS..SBendtrans-136.563.4-173.5-49.4-73.6000110.9G2 F4 H7 G189 P195G2-Y193 VanDerWaalsContact C-CZ 3.46Å; G2-Y193 VanDerWaalsContact C-OH 3.25Å; G2-Y193 VanDerWaalsContact CA-OH 3.27Å; G2-Y193 WeakPolarHBondContact CA-OH 3.45Å; G2-Y193 WeakPolarHBondContact O-CE1 3.46Å; G2-Y193 PolarHBondContact O-OH 3.05Å; F4-Y193 HydrophobicContact CB-CG 4.35Å; F4-Y193 WeakPolarHBondContact CD2-O 3.23Å; H7-Y193 AromaticContact CE1-CE2 3.78Å; H7-Y193 AromaticContact ND1-CE2 3.93Å; G189-Y193 CarbonylContact O-C 3.27Å; G189-Y193 WeakPolarHBondContact O-CA 3.24Å; G189-Y193 WeakPolarHBondContact O-CB 3.46Å; G189-Y193 PolarHBondContact O-N 3Å; Y193-P195 WeakPolarHBondContact O-CD 3.41Å
194P93.3Very high94.6Very high39 Ų3958.9 Ų58.925%0.25330%0.299SS..  trans-56.4115-18022.8-32.5000109.9W196 L199 V201P194-W196 PolarHBondContact O-N 3.35Å; P194-L199 HydrophobicContact CB-CB 3.87Å; P194-L199 HydrophobicContact CB-CD1 4.19Å; P194-V201 HydrophobicContact CG-CG2 4.36Å
195P92.4Very high94.5Very high53 Ų5364.5 Ų64.534%0.34433%0.329SS..SBendtrans-74.4-12.6-172.428.9-38.3000113.6F4 F190 Y193 L199F4-P195 HydrophobicContact CE1-CB 4.16Å; F4-P195 HydrophobicContact CE1-CG 4.25Å; F4-P195 HydrophobicContact CE2-CB 4.35Å; F4-P195 HydrophobicContact CE2-CG 3.86Å; F4-P195 HydrophobicContact CZ-CB 4.07Å; F4-P195 HydrophobicContact CZ-CG 3.67Å; F190-P195 HydrophobicContact CD1-CG 4.27Å; F190-P195 HydrophobicContact CE1-CG 4.04Å; Y193-P195 WeakPolarHBondContact O-CD 3.41Å; P195-L199 HydrophobicContact CG-CD1 4.08Å
196W94Very high94.4Very high129 Ų12965.8 Ų65.849%0.48934%0.336SS..SBendtrans-130.9144-176.4-51.2-62.3000111F190 P194 W198 L199F190-W196 HydrophobicContact CE1-CH2 4.14Å; F190-W196 AromaticContact CE1-CZ3 3.86Å; F190-W196 HydrophobicContact CE1-CZ3 3.86Å; P194-W196 PolarHBondContact O-N 3.35Å; W196-W198 HydrophobicContact CB-CD2 4.36Å; W196-W198 HydrophobicContact CB-CG 4.26Å; W196-W198 HydrophobicContact CB-CZ2 4.33Å; W196-W198 AromaticContact CD2-CZ2 3.83Å; W196-W198 HydrophobicContact CD2-CZ2 3.83Å; W196-W198 AromaticContact CE3-CE2 3.95Å; W196-W198 AromaticContact CE3-CH2 3.91Å; W196-W198 HydrophobicContact CE3-CH2 3.91Å; W196-W198 AromaticContact CE3-CZ2 3.31Å; W196-W198 HydrophobicContact CE3-CZ2 3.31Å; W196-W198 HydrophobicContact CG-CZ2 4.26Å; W196-W198 AromaticContact CG-NE1 3.59Å; W196-W198 HydrophobicContact CZ3-CH2 4.29Å; W196-W198 AromaticContact CZ3-CZ2 3.99Å; W196-W198 HydrophobicContact CZ3-CZ2 3.99Å; W196-W198 PolarHBondContact O-N 2.77Å; W196-L199 HydrophobicContact CB-CD1 4.49Å; W196-L199 HydrophobicContact CB-CG 4.47Å; W196-L199 HydrophobicContact CD2-CD1 4.35Å; W196-L199 HydrophobicContact CE3-CD1 3.42Å; W196-L199 VanDerWaalsContact CE3-CD1 3.42Å; W196-L199 HydrophobicContact CE3-CG 3.95Å; W196-L199 HydrophobicContact CZ3-CD1 3.99Å; W196-L199 WeakPolarHBondContact O-CB 3.47Å; W196-L199 PolarHBondContact O-N 3.4Å; W196-L199 VanDerWaalsContact O-N 3.12Å
197S91.5Very high94.3Very high128 Ų12870.6 Ų70.690%0.89536%0.36SS*.THydrogen-bonded Turntrans-65.7-20.3-176.953.80000114.8L199S197-L199 VanDerWaalsContact C-N 3.34Å
198W93.3Very high94.2Very high185 Ų18574.9 Ų74.970%0.70138%0.378SS*.THydrogen-bonded Turntrans-84.1-10.4177.658.4-95.7000113.2W196W196-W198 HydrophobicContact CB-CD2 4.36Å; W196-W198 HydrophobicContact CB-CG 4.26Å; W196-W198 HydrophobicContact CB-CZ2 4.33Å; W196-W198 AromaticContact CD2-CZ2 3.83Å; W196-W198 HydrophobicContact CD2-CZ2 3.83Å; W196-W198 AromaticContact CE3-CE2 3.95Å; W196-W198 AromaticContact CE3-CH2 3.91Å; W196-W198 HydrophobicContact CE3-CH2 3.91Å; W196-W198 AromaticContact CE3-CZ2 3.31Å; W196-W198 HydrophobicContact CE3-CZ2 3.31Å; W196-W198 HydrophobicContact CG-CZ2 4.26Å; W196-W198 AromaticContact CG-NE1 3.59Å; W196-W198 HydrophobicContact CZ3-CH2 4.29Å; W196-W198 AromaticContact CZ3-CZ2 3.99Å; W196-W198 HydrophobicContact CZ3-CZ2 3.99Å; W196-W198 PolarHBondContact O-N 2.77Å
199L93.1Very high94.2Very high43 Ų4375.2 Ų75.223%0.22538%0.38CS..SBendtrans-77.1143.4173.2-71.8175000110.5F190 P194 P195 W196 S197 V201F190-L199 HydrophobicContact CD1-CD1 4.14Å; P194-L199 HydrophobicContact CB-CB 3.87Å; P194-L199 HydrophobicContact CB-CD1 4.19Å; P195-L199 HydrophobicContact CG-CD1 4.08Å; W196-L199 HydrophobicContact CB-CD1 4.49Å; W196-L199 HydrophobicContact CB-CG 4.47Å; W196-L199 HydrophobicContact CD2-CD1 4.35Å; W196-L199 HydrophobicContact CE3-CD1 3.42Å; W196-L199 VanDerWaalsContact CE3-CD1 3.42Å; W196-L199 HydrophobicContact CE3-CG 3.95Å; W196-L199 HydrophobicContact CZ3-CD1 3.99Å; W196-L199 WeakPolarHBondContact O-CB 3.47Å; W196-L199 PolarHBondContact O-N 3.4Å; W196-L199 VanDerWaalsContact O-N 3.12Å; S197-L199 VanDerWaalsContact C-N 3.34Å; L199-V201 PolarHBondContact O-N 3.33Å
200T90.7Very high94.3Very high98 Ų9877 Ų7760%0.60139%0.39SS*.PPolyproline II helixtrans-59.9126.5175.9-52.80000110.6W202T200-W202 PolarHBondContact O-NE1 2.83Å
201V92.2Very high94.4Very high121 Ų12178.1 Ų78.173%0.73340%0.397SS*.PPolyproline II helixtrans-83.4121.6166.9-176.40000107.7P194 L199P194-V201 HydrophobicContact CG-CG2 4.36Å; L199-V201 PolarHBondContact O-N 3.33Å
202W91.9Very high94.4Very high57 Ų5782.5 Ų82.522%0.21642%0.418CS..PPolyproline II helixtrans-83.9128.2-176-65.978.5000110.3F139 Y191 T200 Q204 H212F139-W202 HydrophobicContact CD1-CB 4.28Å; F139-W202 HydrophobicContact CE1-CB 3.64Å; F139-W202 HydrophobicContact CE1-CG 4.1Å; F139-W202 HydrophobicContact CE2-CE3 4.47Å; F139-W202 HydrophobicContact CZ-CB 4.09Å; F139-W202 HydrophobicContact CZ-CD2 4.15Å; F139-W202 HydrophobicContact CZ-CE3 4.05Å; F139-W202 HydrophobicContact CZ-CG 4.17Å; Y191-W202 AromaticContact CD1-CD1 3.85Å; Y191-W202 AromaticContact CD1-CD2 3.97Å; Y191-W202 HydrophobicContact CD1-CD2 3.97Å; Y191-W202 AromaticContact CD1-CE2 3.51Å; Y191-W202 HydrophobicContact CD1-CG 4.19Å; Y191-W202 AromaticContact CD1-CZ2 3.93Å; Y191-W202 HydrophobicContact CD1-CZ2 3.93Å; Y191-W202 AromaticContact CD1-NE1 3.45Å; Y191-W202 HydrophobicContact CE1-CD2 4.16Å; Y191-W202 AromaticContact CE1-CE2 3.52Å; Y191-W202 AromaticContact CE1-CH2 3.97Å; Y191-W202 HydrophobicContact CE1-CH2 3.97Å; Y191-W202 AromaticContact CE1-CZ2 3.42Å; Y191-W202 HydrophobicContact CE1-CZ2 3.42Å; Y191-W202 VanDerWaalsContact CE1-CZ2 3.42Å; Y191-W202 AromaticContact CE1-NE1 3.9Å; T200-W202 PolarHBondContact O-NE1 2.83Å; W202-Q204 PolarHBondContact O-N 2.96Å; W202-Q204 VanDerWaalsContact O-N 3.15Å; W202-H212 HydrophobicContact CH2-CB 3.84Å; W202-H212 HydrophobicContact CZ3-CB 3.49Å; W202-H212 VanDerWaalsContact CZ3-CB 3.49Å
203D95.3Very high94.6Very high87 Ų8781.8 Ų81.847%0.46541%0.414SS..  trans-67.5114.9172.2-175.4-16.5000108.5N205 D206 S209D203-N205 PolarHBondContact O-N 3.26Å; D203-N205 PolarHBondContact OD1-N 2.95Å; D203-D206 HydrophobicContact CB-CB 3.78Å; D203-D206 PolarHBondContact O-N 2.89Å; D203-D206 PolarHBondContact OD1-N 2.95Å; D203-S209 VanDerWaalsContact O-CB 3.25Å; D203-S209 WeakPolarHBondContact O-CB 3.26Å; D203-S209 PolarHBondContact O-OG 3.3Å
204Q94.7Very high94.8Very high67 Ų6781.6 Ų81.631%0.31342%0.418SS..THydrogen-bonded Turntrans-76.1-10.1-173.7-58.9-162.518.700113.9T137 P138 F139 W202T137-Q204 HydrophobicContact CG2-CB 3.88Å; T137-Q204 VanDerWaalsContact CG2-OE1 3.24Å; T137-Q204 WeakPolarHBondContact OG1-CB 3.44Å; T137-Q204 PolarHBondContact OG1-OE1 3.46Å; P138-Q204 WeakPolarHBondContact CD-O 3.41Å; F139-Q204 HydrophobicContact CB-CB 4.22Å; F139-Q204 WeakPolarHBondContact CB-O 3.35Å; F139-Q204 HydrophobicContact CD1-CG 4.4Å; F139-Q204 PolarHBondContact N-O 3.42Å; W202-Q204 PolarHBondContact O-N 2.96Å; W202-Q204 VanDerWaalsContact O-N 3.15Å
205N96.4Very high95Very high117 Ų11783.3 Ų83.363%0.62643%0.425SS*.THydrogen-bonded Turntrans-110-9.4178.4-60.8-55.4000113P138 D203P138-N205 WeakPolarHBondContact CD-OD1 3.5Å; D203-N205 PolarHBondContact O-N 3.26Å; D203-N205 PolarHBondContact OD1-N 2.95Å
206D95.2Very high95.3Very high49 Ų4983.1 Ų83.126%0.26242%0.42SS..  trans-84130.1179.4-167.9-6.3000111.9D203 K208 S209D203-D206 HydrophobicContact CB-CB 3.78Å; D203-D206 PolarHBondContact O-N 2.89Å; D203-D206 PolarHBondContact OD1-N 2.95Å; D206-K208 PolarHBondContact O-N 3.47Å; D206-K208 PolarHBondContact OD1-N 3.46Å; D206-S209 WeakPolarHBondContact O-CB 3.48Å; D206-S209 PolarHBondContact O-N 3.41Å; D206-S209 VanDerWaalsContact O-N 3.17Å
207I96Very high95.5Very high116 Ų11678.5 Ų78.560%0.59540%0.404SS*.Hα-helixtrans-59.8-27.3172.7-167.3168000112.5S209 I210 I211I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.29Å; I207-I210 WeakPolarHBondContact O-CB 3.33Å; I207-I210 PolarHBondContact O-N 2.74Å; I207-I211 HydrophobicContact CG1-CD1 4.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 2.92Å
208K96.4Very high95.9Very high130 Ų13074.7 Ų74.757%0.56538%0.377SS*.Hα-helixtrans-61-40.8176.2-66.4178.5-173.5165.70111.5D206 I210 I211 H212D206-K208 PolarHBondContact O-N 3.47Å; D206-K208 PolarHBondContact OD1-N 3.46Å; K208-I210 VanDerWaalsContact C-N 3.29Å; K208-I210 PolarHBondContact O-N 2.97Å; K208-I211 PolarHBondContact O-N 3.36Å; K208-H212 WeakPolarHBondContact O-CB 3.33Å; K208-H212 PolarHBondContact O-CD2 3.42Å; K208-H212 PolarHBondContact O-N 3.49Å
209S97.2Very high96.1Very high7 Ų772.3 Ų72.35%0.04937%0.369CS..Hα-helixtrans-58-43.3176.3-59.20000111.2F139 D203 D206 I207 H212 A213F139-S209 WeakPolarHBondContact CE2-O 3.31Å; D203-S209 VanDerWaalsContact O-CB 3.25Å; D203-S209 WeakPolarHBondContact O-CB 3.26Å; D203-S209 PolarHBondContact O-OG 3.3Å; D206-S209 WeakPolarHBondContact O-CB 3.48Å; D206-S209 PolarHBondContact O-N 3.41Å; D206-S209 VanDerWaalsContact O-N 3.17Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.29Å; S209-H212 PolarHBondContact O-N 3.27Å; S209-A213 PolarHBondContact O-N 3.39Å
210I97.7Very high96.4Very high38 Ų3871.9 Ų71.920%0.19537%0.365CS..Hα-helixtrans-60.8-48.1176.5-69.2174.7000111.3P138 F139 H142 I207 K208 H212 A213 N214P138-I210 HydrophobicContact CB-CD1 4.44Å; F139-I210 HydrophobicContact CD2-CG1 4.15Å; H142-I210 HydrophobicContact CB-CD1 4.39Å; H142-I210 HydrophobicContact CB-CG1 4.14Å; I207-I210 WeakPolarHBondContact O-CB 3.33Å; I207-I210 PolarHBondContact O-N 2.74Å; K208-I210 VanDerWaalsContact C-N 3.29Å; K208-I210 PolarHBondContact O-N 2.97Å; I210-H212 VanDerWaalsContact C-N 3.34Å; I210-H212 PolarHBondContact O-N 3.44Å; I210-A213 PolarHBondContact O-N 3.16Å; I210-N214 PolarHBondContact O-N 2.97Å; I210-N214 VanDerWaalsContact O-N 3.16Å
211I97.5Very high96.8Very high88 Ų8870.5 Ų70.545%0.45135%0.353SS..Hα-helixtrans-61.9-44.4179.5-65.9166.4000110.6I207 K208 A213 N214 N215I207-I211 HydrophobicContact CG1-CD1 4.31Å; I207-I211 WeakPolarHBondContact O-CG1 3.39Å; I207-I211 PolarHBondContact O-N 2.92Å; K208-I211 PolarHBondContact O-N 3.36Å; I211-A213 PolarHBondContact O-N 3Å; I211-N214 WeakPolarHBondContact O-CB 3.43Å; I211-N214 PolarHBondContact O-N 3.29Å; I211-N215 PolarHBondContact O-N 2.93Å
212H96.2Very high97.1Very high98 Ų9869.2 Ų69.245%0.45434%0.341SS..Hα-helixtrans-63.1-40.9177-78.3-61.3000112.3W202 K208 S209 I210 N214 N215 I216W202-H212 HydrophobicContact CH2-CB 3.84Å; W202-H212 HydrophobicContact CZ3-CB 3.49Å; W202-H212 VanDerWaalsContact CZ3-CB 3.49Å; K208-H212 WeakPolarHBondContact O-CB 3.33Å; K208-H212 PolarHBondContact O-CD2 3.42Å; K208-H212 PolarHBondContact O-N 3.49Å; S209-H212 PolarHBondContact O-N 3.27Å; I210-H212 VanDerWaalsContact C-N 3.34Å; I210-H212 PolarHBondContact O-N 3.44Å; H212-N214 VanDerWaalsContact C-N 3.28Å; H212-N214 PolarHBondContact O-N 2.95Å; H212-N215 WeakPolarHBondContact O-CB 3.37Å; H212-N215 PolarHBondContact O-N 3.4Å; H212-N215 VanDerWaalsContact O-N 3.14Å; H212-I216 WeakPolarHBondContact O-CG1 3.45Å; H212-I216 PolarHBondContact O-N 3.45Å
213A97.9Very high97.4Very high0 Ų072 Ų720%036%0.358CS..Hα-helixtrans-58.9-39.7175.300000112.3F139 V143 W184 Y191 S209 I210 I211 N215 I216 F217F139-A213 HydrophobicContact CE2-CB 3.89Å; V143-A213 HydrophobicContact CG1-CB 4Å; W184-A213 HydrophobicContact CH2-CB 4.26Å; W184-A213 WeakPolarHBondContact CH2-O 3.44Å; Y191-A213 HydrophobicContact CE2-CB 4.01Å; S209-A213 PolarHBondContact O-N 3.39Å; I210-A213 PolarHBondContact O-N 3.16Å; I211-A213 PolarHBondContact O-N 3Å; A213-N215 VanDerWaalsContact C-N 3.32Å; A213-N215 PolarHBondContact O-N 3.46Å; A213-I216 PolarHBondContact O-N 3.05Å; A213-F217 WeakPolarHBondContact O-CB 3.49Å; A213-F217 PolarHBondContact O-N 3.17Å
214N98Very high97.6Very high63 Ų6368.3 Ų68.334%0.33734%0.338SS..Hα-helixtrans-61.9-39.5176.1-63.7-19.8000112.5H142 I210 I211 H212 F217 S218H142-N214 PolarHBondContact CE1-OD1 2.84Å; H142-N214 PolarHBondContact NE2-OD1 3.03Å; I210-N214 PolarHBondContact O-N 2.97Å; I210-N214 VanDerWaalsContact O-N 3.16Å; I211-N214 WeakPolarHBondContact O-CB 3.43Å; I211-N214 PolarHBondContact O-N 3.29Å; H212-N214 VanDerWaalsContact C-N 3.28Å; H212-N214 PolarHBondContact O-N 2.95Å; N214-F217 PolarHBondContact O-N 2.99Å; N214-S218 PolarHBondContact O-N 3.4Å; N214-S218 PolarHBondContact O-OG 3.4Å
215N98.2Very high97.8Very high75 Ų7568 Ų6840%0.40134%0.342SS..Hα-helixtrans-66-46.3177-70.6-24.6000111.2I211 H212 A213 F217 S218 Y219I211-N215 PolarHBondContact O-N 2.93Å; H212-N215 WeakPolarHBondContact O-CB 3.37Å; H212-N215 PolarHBondContact O-N 3.4Å; H212-N215 VanDerWaalsContact O-N 3.14Å; A213-N215 VanDerWaalsContact C-N 3.32Å; A213-N215 PolarHBondContact O-N 3.46Å; N215-F217 VanDerWaalsContact C-N 3.33Å; N215-F217 PolarHBondContact O-N 3.22Å; N215-S218 WeakPolarHBondContact O-CB 3.32Å; N215-S218 PolarHBondContact O-N 3.38Å; N215-S218 VanDerWaalsContact O-N 3.15Å; N215-Y219 PolarHBondContact O-N 3.24Å
216I98.4Very high97.9Very high49 Ų4966.2 Ų66.225%0.25133%0.332SS..Hα-helixtrans-62.8-41.2176.7-61.7-55.9000111W184 Q187 Y191 H212 A213 S218 Y219 H220W184-I216 HydrophobicContact CZ3-CG2 4.3Å; Q187-I216 HydrophobicContact CG-CG2 4.12Å; Y191-I216 WeakPolarHBondContact OH-CB 3.33Å; Y191-I216 VanDerWaalsContact OH-CG1 3.24Å; Y191-I216 WeakPolarHBondContact OH-CG1 3.35Å; Y191-I216 WeakPolarHBondContact OH-CG2 3.49Å; H212-I216 WeakPolarHBondContact O-CG1 3.45Å; H212-I216 PolarHBondContact O-N 3.45Å; A213-I216 PolarHBondContact O-N 3.05Å; I216-S218 VanDerWaalsContact C-N 3.26Å; I216-S218 PolarHBondContact O-N 3.2Å; I216-Y219 HydrophobicContact CD1-CD2 3.82Å; I216-Y219 HydrophobicContact CD1-CE2 4.13Å; I216-Y219 WeakPolarHBondContact O-CA 3.48Å; I216-Y219 WeakPolarHBondContact O-CB 3.32Å; I216-Y219 PolarHBondContact O-N 3.37Å; I216-H220 PolarHBondContact O-CD2 2.92Å; I216-H220 VanDerWaalsContact O-CD2 3.22Å; I216-H220 PolarHBondContact O-N 3.41Å
217F98.7Very high98Very high33 Ų3366.3 Ų66.315%0.14534%0.335CS..Hα-helixtrans-56.9-42.7174-177.6-107.6000111.8I146 T150 L180 W184 A213 N214 N215 Y219 H220 M221I146-F217 HydrophobicContact CG2-CD1 4.24Å; I146-F217 HydrophobicContact CG2-CD2 3.37Å; I146-F217 HydrophobicContact CG2-CE1 4.18Å; I146-F217 HydrophobicContact CG2-CE2 3.29Å; I146-F217 HydrophobicContact CG2-CG 3.85Å; I146-F217 HydrophobicContact CG2-CZ 3.71Å; T150-F217 HydrophobicContact CG2-CE2 3.66Å; T150-F217 HydrophobicContact CG2-CZ 3.73Å; L180-F217 HydrophobicContact CD1-CD2 4.25Å; L180-F217 HydrophobicContact CD1-CE2 3.72Å; L180-F217 HydrophobicContact CD1-CZ 4.2Å; L180-F217 HydrophobicContact CD2-CE2 3.92Å; L180-F217 HydrophobicContact CD2-CZ 3.62Å; L180-F217 HydrophobicContact CG-CE2 3.81Å; L180-F217 HydrophobicContact CG-CZ 4.06Å; W184-F217 AromaticContact CD2-CD2 3.69Å; W184-F217 HydrophobicContact CD2-CD2 3.69Å; W184-F217 HydrophobicContact CD2-CE2 4.32Å; W184-F217 HydrophobicContact CE3-CB 4.15Å; W184-F217 AromaticContact CE3-CD2 3.61Å; W184-F217 HydrophobicContact CE3-CD2 3.61Å; W184-F217 HydrophobicContact CE3-CG 4.39Å; W184-F217 HydrophobicContact CG-CD2 4.17Å; W184-F217 HydrophobicContact CG-CE2 4.35Å; W184-F217 HydrophobicContact CH2-CB 3.72Å; W184-F217 HydrophobicContact CH2-CD2 4.34Å; W184-F217 HydrophobicContact CH2-CG 4.48Å; W184-F217 HydrophobicContact CZ2-CB 4.39Å; W184-F217 HydrophobicContact CZ2-CD2 4.43Å; W184-F217 HydrophobicContact CZ3-CB 3.59Å; W184-F217 AromaticContact CZ3-CD2 3.95Å; W184-F217 HydrophobicContact CZ3-CD2 3.95Å; W184-F217 HydrophobicContact CZ3-CG 4.28Å; A213-F217 WeakPolarHBondContact O-CB 3.49Å; A213-F217 PolarHBondContact O-N 3.17Å; N214-F217 PolarHBondContact O-N 2.99Å; N215-F217 VanDerWaalsContact C-N 3.33Å; N215-F217 PolarHBondContact O-N 3.22Å; F217-Y219 VanDerWaalsContact C-N 3.32Å; F217-Y219 PolarHBondContact O-N 3.05Å; F217-H220 WeakPolarHBondContact O-CB 3.42Å; F217-H220 PolarHBondContact O-N 3.02Å; F217-H220 VanDerWaalsContact O-N 3.16Å; F217-M221 HydrophobicContact CE1-CG 4.37Å; F217-M221 HydrophobicContact CE1-SD 4.06Å; F217-M221 PolarHBondContact O-N 3.4Å; F217-M221 VanDerWaalsContact O-N 3.13Å
218S98.6Very high98.1Very high47 Ų4761.6 Ų61.633%0.32931%0.311SS..Hα-helixtrans-64-37.1176-57.40000112.3N214 N215 I216 M221 I222N214-S218 PolarHBondContact O-N 3.4Å; N214-S218 PolarHBondContact O-OG 3.4Å; N215-S218 WeakPolarHBondContact O-CB 3.32Å; N215-S218 PolarHBondContact O-N 3.38Å; N215-S218 VanDerWaalsContact O-N 3.15Å; I216-S218 VanDerWaalsContact C-N 3.26Å; I216-S218 PolarHBondContact O-N 3.2Å; S218-M221 WeakPolarHBondContact O-CB 3.01Å; S218-M221 PolarHBondContact O-N 2.98Å; S218-I222 WeakPolarHBondContact O-CG1 3.35Å; S218-I222 PolarHBondContact O-N 3.16Å
219Y98.7Very high98.2Very high136 Ų13660 Ų6053%0.53331%0.307SS..Hα-helixtrans-65.1-37.2173.2-59.6-25.5000112.4N215 I216 F217 M221 I222 M223N215-Y219 PolarHBondContact O-N 3.24Å; I216-Y219 HydrophobicContact CD1-CD2 3.82Å; I216-Y219 HydrophobicContact CD1-CE2 4.13Å; I216-Y219 WeakPolarHBondContact O-CA 3.48Å; I216-Y219 WeakPolarHBondContact O-CB 3.32Å; I216-Y219 PolarHBondContact O-N 3.37Å; F217-Y219 VanDerWaalsContact C-N 3.32Å; F217-Y219 PolarHBondContact O-N 3.05Å; Y219-M221 VanDerWaalsContact C-N 3.34Å; Y219-M221 PolarHBondContact O-N 3.39Å; Y219-I222 HydrophobicContact CD1-CD1 4.45Å; Y219-I222 PolarHBondContact O-N 3.03Å; Y219-M223 WeakPolarHBondContact O-CB 3.38Å; Y219-M223 VanDerWaalsContact O-CG 3.25Å; Y219-M223 WeakPolarHBondContact O-CG 3.17Å; Y219-M223 PolarHBondContact O-N 3.41Å
220H98.7Very high98.3Very high33 Ų3364.3 Ų64.315%0.15333%0.329CS..Hα-helixtrans-57.9-47.5171.4-80.4-126.1000111.1L180 S183 I216 F217 I222 M223 I224L180-H220 HydrophobicContact CD1-CB 3.79Å; S183-H220 WeakPolarHBondContact CB-ND1 3.29Å; S183-H220 PolarHBondContact O-CE1 3.37Å; S183-H220 PolarHBondContact OG-ND1 3Å; I216-H220 PolarHBondContact O-CD2 2.92Å; I216-H220 VanDerWaalsContact O-CD2 3.22Å; I216-H220 PolarHBondContact O-N 3.41Å; F217-H220 WeakPolarHBondContact O-CB 3.42Å; F217-H220 PolarHBondContact O-N 3.02Å; F217-H220 VanDerWaalsContact O-N 3.16Å; H220-I222 VanDerWaalsContact C-N 3.34Å; H220-I222 PolarHBondContact O-N 3.18Å; H220-M223 PolarHBondContact O-N 3.17Å; H220-I224 WeakPolarHBondContact O-CD1 3.45Å; H220-I224 WeakPolarHBondContact O-CG1 3.35Å; H220-I224 PolarHBondContact O-N 3.45Å
221M98.7Very high98.3Very high69 Ų6963.4 Ų63.434%0.3432%0.324SS..Hα-helixtrans-56.5-48.1177.5-60.8-163.7-49.900111.8F176 L180 F217 S218 Y219 M223 I224 C225F176-M221 HydrophobicContact CE2-CB 4.45Å; F176-M221 HydrophobicContact CZ-CB 3.9Å; F176-M221 HydrophobicContact CZ-CG 4.03Å; L180-M221 HydrophobicContact CD1-CG 4.1Å; L180-M221 HydrophobicContact CD2-CG 4.1Å; F217-M221 HydrophobicContact CE1-CG 4.37Å; F217-M221 HydrophobicContact CE1-SD 4.06Å; F217-M221 PolarHBondContact O-N 3.4Å; F217-M221 VanDerWaalsContact O-N 3.13Å; S218-M221 WeakPolarHBondContact O-CB 3.01Å; S218-M221 PolarHBondContact O-N 2.98Å; Y219-M221 VanDerWaalsContact C-N 3.34Å; Y219-M221 PolarHBondContact O-N 3.39Å; M221-M223 PolarHBondContact O-N 2.97Å; M221-I224 PolarHBondContact O-N 3.2Å; M221-C225 PolarHBondContact O-N 2.93Å; M221-C225 PolarHBondContact O-SG 2.95Å; M221-C225 VanDerWaalsContact O-SG 3.4Å
222I98.8Very high98.2Very high94 Ų9461.8 Ų61.848%0.48232%0.315SS..Hα-helixtrans-61.1-47179.1-66.7166.8000110.7S218 Y219 H220 I224 C225 L226S218-I222 WeakPolarHBondContact O-CG1 3.35Å; S218-I222 PolarHBondContact O-N 3.16Å; Y219-I222 HydrophobicContact CD1-CD1 4.45Å; Y219-I222 PolarHBondContact O-N 3.03Å; H220-I222 VanDerWaalsContact C-N 3.34Å; H220-I222 PolarHBondContact O-N 3.18Å; I222-I224 VanDerWaalsContact C-N 3.3Å; I222-I224 PolarHBondContact O-N 3.1Å; I222-C225 WeakPolarHBondContact O-CB 3.31Å; I222-C225 PolarHBondContact O-N 3.45Å; I222-L226 HydrophobicContact CG2-CD1 4.12Å; I222-L226 HydrophobicContact CG2-CG 4.45Å; I222-L226 WeakPolarHBondContact O-CG 3.46Å; I222-L226 PolarHBondContact O-N 2.79Å
223M98.6Very high98.2Very high116 Ų11660.3 Ų60.357%0.57132%0.316SS*.Hα-helixtrans-63.8-35.4-179.7-70.3-55.9-64.300112.5Y219 H220 M221 L226 T227Y219-M223 WeakPolarHBondContact O-CB 3.38Å; Y219-M223 VanDerWaalsContact O-CG 3.25Å; Y219-M223 WeakPolarHBondContact O-CG 3.17Å; Y219-M223 PolarHBondContact O-N 3.41Å; H220-M223 PolarHBondContact O-N 3.17Å; M221-M223 PolarHBondContact O-N 2.97Å; M223-L226 PolarHBondContact O-N 3.17Å; M223-L226 HydrophobicContact SD-CD1 4.12Å; M223-T227 WeakPolarHBondContact O-CB 3.45Å; M223-T227 PolarHBondContact O-N 3.37Å; M223-T227 PolarHBondContact O-OG1 2.93Å
224I98.7Very high98.1Very high10 Ų1063.4 Ų63.45%0.05133%0.332CS..Hα-helixtrans-69.3-42.9175.3-63.3165000110.3F176 I179 L180 H220 M221 I222 L226 T227 I228F176-I224 HydrophobicContact CD2-CB 4.03Å; F176-I224 HydrophobicContact CD2-CG2 3.42Å; F176-I224 VanDerWaalsContact CD2-CG2 3.42Å; F176-I224 HydrophobicContact CE2-CB 3.94Å; F176-I224 HydrophobicContact CE2-CG2 3.88Å; F176-I224 HydrophobicContact CG-CG2 4.21Å; I179-I224 HydrophobicContact CB-CD1 4.2Å; I179-I224 HydrophobicContact CB-CG1 4.45Å; I179-I224 HydrophobicContact CB-CG2 4.21Å; I179-I224 HydrophobicContact CD1-CG2 4.22Å; I179-I224 HydrophobicContact CG2-CD1 3.77Å; I179-I224 HydrophobicContact CG2-CG1 3.71Å; I179-I224 HydrophobicContact CG2-CG2 4.17Å; L180-I224 HydrophobicContact CB-CD1 3.8Å; L180-I224 HydrophobicContact CD1-CD1 3.81Å; L180-I224 HydrophobicContact CG-CD1 4.41Å; H220-I224 WeakPolarHBondContact O-CD1 3.45Å; H220-I224 WeakPolarHBondContact O-CG1 3.35Å; H220-I224 PolarHBondContact O-N 3.45Å; M221-I224 PolarHBondContact O-N 3.2Å; I222-I224 VanDerWaalsContact C-N 3.3Å; I222-I224 PolarHBondContact O-N 3.1Å; I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 PolarHBondContact O-N 3.34Å; I224-T227 WeakPolarHBondContact O-CB 3.24Å; I224-T227 PolarHBondContact O-N 3.41Å; I224-T227 VanDerWaalsContact O-N 3.16Å; I224-I228 HydrophobicContact CG2-CD1 4.13Å; I224-I228 WeakPolarHBondContact O-CG1 3.35Å; I224-I228 PolarHBondContact O-N 3.37Å
225C98.5Very high97.9Very high59 Ų5961 Ų6140%0.39932%0.319SS..Hα-helixtrans-57.3-46.5173.4-73.20000111.7M221 I222 T227 I228 I229M221-C225 PolarHBondContact O-N 2.93Å; M221-C225 PolarHBondContact O-SG 2.95Å; M221-C225 VanDerWaalsContact O-SG 3.4Å; I222-C225 WeakPolarHBondContact O-CB 3.31Å; I222-C225 PolarHBondContact O-N 3.45Å; C225-T227 VanDerWaalsContact C-N 3.32Å; C225-T227 PolarHBondContact O-N 3.13Å; C225-I228 PolarHBondContact O-N 2.92Å; C225-I229 WeakPolarHBondContact O-CG1 3.4Å; C225-I229 PolarHBondContact O-N 2.68Å
226L98.5Very high97.6Very high80 Ų8058.5 Ų58.542%0.41931%0.308SS..Hα-helixtrans-61.2-41.6175.9-69174.5000111.6I222 M223 I224 I228 I229 I230I222-L226 HydrophobicContact CG2-CD1 4.12Å; I222-L226 HydrophobicContact CG2-CG 4.45Å; I222-L226 WeakPolarHBondContact O-CG 3.46Å; I222-L226 PolarHBondContact O-N 2.79Å; M223-L226 PolarHBondContact O-N 3.17Å; M223-L226 HydrophobicContact SD-CD1 4.12Å; I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 PolarHBondContact O-N 3.34Å; L226-I228 PolarHBondContact O-N 3.33Å; L226-I229 PolarHBondContact O-N 2.9Å; L226-I230 WeakPolarHBondContact O-CB 3.23Å; L226-I230 WeakPolarHBondContact O-CD1 3.43Å; L226-I230 WeakPolarHBondContact O-CG1 3.15Å; L226-I230 PolarHBondContact O-N 2.94Å
227T98.3Very high97.3Very high51 Ų5161.8 Ų61.831%0.31332%0.317SS..Hα-helixtrans-59.7-45.8176.7-59.80000111.4L19 M223 I224 C225 I230 M231L19-T227 HydrophobicContact CD2-CG2 3.97Å; M223-T227 WeakPolarHBondContact O-CB 3.45Å; M223-T227 PolarHBondContact O-N 3.37Å; M223-T227 PolarHBondContact O-OG1 2.93Å; I224-T227 WeakPolarHBondContact O-CB 3.24Å; I224-T227 PolarHBondContact O-N 3.41Å; I224-T227 VanDerWaalsContact O-N 3.16Å; C225-T227 VanDerWaalsContact C-N 3.32Å; C225-T227 PolarHBondContact O-N 3.13Å; T227-I230 PolarHBondContact O-N 3.36Å; T227-M231 HydrophobicContact CG2-SD 3.98Å; T227-M231 VanDerWaalsContact O-CG 3.26Å; T227-M231 WeakPolarHBondContact O-CG 3.22Å; T227-M231 PolarHBondContact O-N 3.19Å
228I98.2Very high97Very high17 Ų1765 Ų659%0.08733%0.331CS..Hα-helixtrans-60.8-47.7176.4-66.4165.1000110.6L22 L172 F176 I224 C225 L226 I230 M231 M232L22-I228 HydrophobicContact CD2-CG1 3.77Å; L172-I228 HydrophobicContact CD2-CG2 4.31Å; F176-I228 HydrophobicContact CB-CD1 4.16Å; F176-I228 HydrophobicContact CD2-CD1 4.17Å; I224-I228 HydrophobicContact CG2-CD1 4.13Å; I224-I228 WeakPolarHBondContact O-CG1 3.35Å; I224-I228 PolarHBondContact O-N 3.37Å; C225-I228 PolarHBondContact O-N 2.92Å; L226-I228 PolarHBondContact O-N 3.33Å; I228-I230 VanDerWaalsContact C-N 3.33Å; I228-I230 PolarHBondContact O-N 2.64Å; I228-M231 PolarHBondContact O-N 3.26Å; I228-M232 HydrophobicContact CG2-CG 4.39Å; I228-M232 HydrophobicContact CG2-SD 3.92Å; I228-M232 VanDerWaalsContact O-CG 3.32Å; I228-M232 WeakPolarHBondContact O-CG 3.46Å; I228-M232 PolarHBondContact O-N 3.47Å
229I98.1Very high96.5Very high96 Ų9665 Ų6549%0.49233%0.327SS..Hα-helixtrans-60.5-42.8179.2-68.6166.2000111.2C225 L226 M232 S233C225-I229 WeakPolarHBondContact O-CG1 3.4Å; C225-I229 PolarHBondContact O-N 2.68Å; L226-I229 PolarHBondContact O-N 2.9Å; I229-M232 PolarHBondContact O-N 3.33Å; I229-S233 VanDerWaalsContact O-CB 3.31Å; I229-S233 WeakPolarHBondContact O-CB 3.18Å; I229-S233 PolarHBondContact O-N 3.42Å; I229-S233 PolarHBondContact O-OG 3.1Å
230I98.4Very high96Very high98 Ų9864.9 Ų64.950%0.50333%0.325SS..Hα-helixtrans-62.9-46.7177.2-70.5164.7000110.3L226 T227 I228 M232 S233 I234L226-I230 WeakPolarHBondContact O-CB 3.23Å; L226-I230 WeakPolarHBondContact O-CD1 3.43Å; L226-I230 WeakPolarHBondContact O-CG1 3.15Å; L226-I230 PolarHBondContact O-N 2.94Å; T227-I230 PolarHBondContact O-N 3.36Å; I228-I230 VanDerWaalsContact C-N 3.33Å; I228-I230 PolarHBondContact O-N 2.64Å; I230-M232 PolarHBondContact O-N 3.38Å; I230-S233 PolarHBondContact O-N 3.49Å; I230-I234 HydrophobicContact CG2-CD1 3.7Å; I230-I234 HydrophobicContact CG2-CG1 4.39Å; I230-I234 VanDerWaalsContact O-CG1 3.27Å; I230-I234 WeakPolarHBondContact O-CG1 3.25Å; I230-I234 PolarHBondContact O-N 3.29Å
231M97.7Very high95.6Very high19 Ų1969.5 Ų69.59%0.09434%0.342CS..Hα-helixtrans-60.3-45.7177.8-70.3169.478.700111.7L22 W23 L26 T227 I228 S233 I234 L235L22-M231 HydrophobicContact CB-CE 4.15Å; L22-M231 HydrophobicContact CD2-CE 3.82Å; L22-M231 HydrophobicContact CD2-SD 3.54Å; L22-M231 VanDerWaalsContact CD2-SD 3.54Å; L22-M231 HydrophobicContact CG-CE 3.73Å; L22-M231 HydrophobicContact CG-SD 4.09Å; W23-M231 HydrophobicContact CB-CE 3.59Å; W23-M231 HydrophobicContact CD2-CE 4.35Å; W23-M231 HydrophobicContact CE3-CB 4.39Å; W23-M231 HydrophobicContact CE3-CE 3.69Å; W23-M231 HydrophobicContact CE3-CG 4.15Å; W23-M231 HydrophobicContact CG-CE 4.38Å; W23-M231 HydrophobicContact CZ3-CB 4.46Å; W23-M231 HydrophobicContact CZ3-CG 4.35Å; L26-M231 HydrophobicContact CD1-CB 3.88Å; T227-M231 HydrophobicContact CG2-SD 3.98Å; T227-M231 VanDerWaalsContact O-CG 3.26Å; T227-M231 WeakPolarHBondContact O-CG 3.22Å; T227-M231 PolarHBondContact O-N 3.19Å; I228-M231 PolarHBondContact O-N 3.26Å; M231-S233 VanDerWaalsContact C-N 3.35Å; M231-S233 PolarHBondContact O-N 3.23Å; M231-I234 PolarHBondContact O-N 3.26Å; M231-L235 WeakPolarHBondContact O-CB 3.46Å; M231-L235 WeakPolarHBondContact O-CG 3.4Å; M231-L235 PolarHBondContact O-N 2.85Å
232M95.5Very high95.1Very high55 Ų5570.4 Ų70.427%0.27135%0.351SS..Hα-helixtrans-60.8-43.8175.7-70.1177.776.600111.7L26 I228 I229 I230 L235 S236L26-M232 HydrophobicContact CD1-CG 3.88Å; L26-M232 HydrophobicContact CD2-CG 3.76Å; L26-M232 HydrophobicContact CD2-SD 4.47Å; L26-M232 HydrophobicContact CG-CG 4.48Å; I228-M232 HydrophobicContact CG2-CG 4.39Å; I228-M232 HydrophobicContact CG2-SD 3.92Å; I228-M232 VanDerWaalsContact O-CG 3.32Å; I228-M232 WeakPolarHBondContact O-CG 3.46Å; I228-M232 PolarHBondContact O-N 3.47Å; I229-M232 PolarHBondContact O-N 3.33Å; I230-M232 PolarHBondContact O-N 3.38Å; M232-L235 PolarHBondContact O-N 3.4Å; M232-S236 WeakPolarHBondContact O-CB 3.16Å; M232-S236 PolarHBondContact O-N 2.99Å
233S96.4Very high94.5Very high66 Ų6669.6 Ų69.646%0.46235%0.347SS..Hα-helixtrans-62.7-44.4179.3-60.80000111.9I229 I230 M231 W237I229-S233 VanDerWaalsContact O-CB 3.31Å; I229-S233 WeakPolarHBondContact O-CB 3.18Å; I229-S233 PolarHBondContact O-N 3.42Å; I229-S233 PolarHBondContact O-OG 3.1Å; I230-S233 PolarHBondContact O-N 3.49Å; M231-S233 VanDerWaalsContact C-N 3.35Å; M231-S233 PolarHBondContact O-N 3.23Å; S233-W237 VanDerWaalsContact O-CB 3.29Å; S233-W237 WeakPolarHBondContact O-CB 3.3Å; S233-W237 PolarHBondContact O-N 3.14Å
234I96.6Very high94.1Very high66 Ų6670.3 Ų70.334%0.33835%0.349SS..Hα-helixtrans-61.9-47.2177.1-68.9166.3000110.7W23 I230 M231 W237 K238W23-I234 HydrophobicContact CH2-CG2 3.95Å; W23-I234 HydrophobicContact CZ3-CG2 4.47Å; I230-I234 HydrophobicContact CG2-CD1 3.7Å; I230-I234 HydrophobicContact CG2-CG1 4.39Å; I230-I234 VanDerWaalsContact O-CG1 3.27Å; I230-I234 WeakPolarHBondContact O-CG1 3.25Å; I230-I234 PolarHBondContact O-N 3.29Å; M231-I234 PolarHBondContact O-N 3.26Å; I234-W237 PolarHBondContact O-N 3.44Å; I234-K238 HydrophobicContact CG2-CD 4.23Å; I234-K238 WeakPolarHBondContact O-CB 3.34Å; I234-K238 WeakPolarHBondContact O-CG 3.44Å; I234-K238 PolarHBondContact O-N 3.4Å
235L92.9Very high93.7Very high11 Ų1174.2 Ų74.26%0.05837%0.369CS..Hα-helixtrans-69.2-41.2-177.7-71.4167.8000112W23 L26 R27 Y30 M231 M232 W237 K238 N239W23-L235 HydrophobicContact CE3-CD1 4.4Å; W23-L235 HydrophobicContact CH2-CD2 3.96Å; W23-L235 HydrophobicContact CH2-CG 4.17Å; W23-L235 HydrophobicContact CZ2-CD2 3.79Å; W23-L235 HydrophobicContact CZ2-CG 4.45Å; W23-L235 HydrophobicContact CZ3-CD1 4.47Å; W23-L235 HydrophobicContact CZ3-CD2 4.47Å; W23-L235 HydrophobicContact CZ3-CG 4.26Å; L26-L235 HydrophobicContact CB-CD1 3.37Å; L26-L235 HydrophobicContact CD1-CD1 4.4Å; R27-L235 HydrophobicContact CB-CD2 4.13Å; R27-L235 HydrophobicContact CG-CD2 4.46Å; Y30-L235 HydrophobicContact CD2-CB 3.53Å; Y30-L235 HydrophobicContact CD2-CD1 4.38Å; Y30-L235 HydrophobicContact CE2-CB 3.95Å; Y30-L235 HydrophobicContact CG-CB 4.23Å; M231-L235 WeakPolarHBondContact O-CB 3.46Å; M231-L235 WeakPolarHBondContact O-CG 3.4Å; M231-L235 PolarHBondContact O-N 2.85Å; M232-L235 PolarHBondContact O-N 3.4Å; L235-W237 PolarHBondContact O-N 3.48Å; L235-K238 PolarHBondContact O-N 2.95Å; L235-N239 WeakPolarHBondContact O-CB 3.29Å; L235-N239 PolarHBondContact O-N 3.24Å
236S91.9Very high93.2Very high24 Ų2474.4 Ų74.417%0.16837%0.371CS..Hα-helixtrans-59.7-45174.2-1720000111.7M232 N239 R240M232-S236 WeakPolarHBondContact O-CB 3.16Å; M232-S236 PolarHBondContact O-N 2.99Å; S236-N239 PolarHBondContact O-N 2.7Å; S236-R240 WeakPolarHBondContact O-CG 3.36Å; S236-R240 PolarHBondContact O-N 3.4Å; S236-R240 PolarHBondContact OG-NH1 2.94Å
237W93.2Very high92.7Very high117 Ų11776.4 Ų76.444%0.44338%0.379SS..Hα-helixtrans-64.9-43.2176.1174.889.1000112.7S233 I234 L235 N239 R240 R241S233-W237 VanDerWaalsContact O-CB 3.29Å; S233-W237 WeakPolarHBondContact O-CB 3.3Å; S233-W237 PolarHBondContact O-N 3.14Å; I234-W237 PolarHBondContact O-N 3.44Å; L235-W237 PolarHBondContact O-N 3.48Å; W237-N239 VanDerWaalsContact C-N 3.34Å; W237-N239 PolarHBondContact O-N 2.91Å; W237-R240 PolarHBondContact O-N 2.99Å; W237-R241 VanDerWaalsContact CE2-CZ 3.49Å; W237-R241 VanDerWaalsContact CZ2-NH2 3.26Å; W237-R241 PolarHBondContact O-N 2.94Å
238K91.6Very high92.3Very high102 Ų10281.5 Ų81.544%0.44339%0.392SS..Hα-helixtrans-59.8-45.1174.9-77.1-178.6180-1800111.1I234 L235 R241 T242I234-K238 HydrophobicContact CG2-CD 4.23Å; I234-K238 WeakPolarHBondContact O-CB 3.34Å; I234-K238 WeakPolarHBondContact O-CG 3.44Å; I234-K238 PolarHBondContact O-N 3.4Å; L235-K238 PolarHBondContact O-N 2.95Å; K238-R241 PolarHBondContact O-N 3.15Å; K238-T242 PolarHBondContact O-N 3.13Å; K238-T242 PolarHBondContact O-OG1 3.32Å; K238-T242 VanDerWaalsContact O-OG1 3.06Å
239N87.8Confident91.9Very high46 Ų4687.1 Ų87.125%0.24642%0.416CS..Hα-helixtrans-63.3-47.3-179.8-166.342000112.1Y30 L235 S236 W237 R241 T242 I243Y30-N239 VanDerWaalsContact O-CG 3.25Å; Y30-N239 PolarHBondContact O-ND2 3.49Å; Y30-N239 PolarHBondContact O-OD1 3.24Å; L235-N239 WeakPolarHBondContact O-CB 3.29Å; L235-N239 PolarHBondContact O-N 3.24Å; S236-N239 PolarHBondContact O-N 2.7Å; W237-N239 VanDerWaalsContact C-N 3.34Å; W237-N239 PolarHBondContact O-N 2.91Å; N239-R241 VanDerWaalsContact C-N 3.31Å; N239-R241 PolarHBondContact O-N 3.34Å; N239-T242 PolarHBondContact O-N 3.02Å; N239-I243 WeakPolarHBondContact O-CG1 3.42Å; N239-I243 PolarHBondContact O-N 3.34Å
240R89.5Confident91.6Very high133 Ų13385.1 Ų85.150%0.50241%0.41SS..Hα-helixtrans-57-43.2175.2-75.8-167.3-67.2-90.6-3.4112.3S236 W237 I243 Q244S236-R240 WeakPolarHBondContact O-CG 3.36Å; S236-R240 PolarHBondContact O-N 3.4Å; S236-R240 PolarHBondContact OG-NH1 2.94Å; W237-R240 PolarHBondContact O-N 2.99Å; R240-I243 PolarHBondContact O-N 3.33Å; R240-Q244 VanDerWaalsContact O-CG 3.3Å; R240-Q244 WeakPolarHBondContact O-CG 3.42Å; R240-Q244 PolarHBondContact O-N 2.81Å
241R90.6Very high91.1Very high130 Ų13083 Ų8349%0.49141%0.405SS..Hα-helixtrans-63-42.6177-79.6-170.5165.6-163.1-0.4112.3W237 K238 N239 I243 Q244 L245W237-R241 VanDerWaalsContact CE2-CZ 3.49Å; W237-R241 VanDerWaalsContact CZ2-NH2 3.26Å; W237-R241 PolarHBondContact O-N 2.94Å; K238-R241 PolarHBondContact O-N 3.15Å; N239-R241 VanDerWaalsContact C-N 3.31Å; N239-R241 PolarHBondContact O-N 3.34Å; R241-I243 VanDerWaalsContact C-N 3.35Å; R241-I243 PolarHBondContact O-N 3.45Å; R241-Q244 PolarHBondContact O-N 3.42Å; R241-L245 VanDerWaalsContact O-CG 3.3Å; R241-L245 WeakPolarHBondContact O-CG 3.47Å; R241-L245 PolarHBondContact O-N 2.98Å
242T88.1Confident90.8Very high89 Ų8985.9 Ų85.955%0.54642%0.418SS..Hα-helixtrans-60.6-44.4176.7-57.10000111.6K238 N239 L245 S246K238-T242 PolarHBondContact O-N 3.13Å; K238-T242 PolarHBondContact O-OG1 3.32Å; K238-T242 VanDerWaalsContact O-OG1 3.06Å; N239-T242 PolarHBondContact O-N 3.02Å; T242-L245 PolarHBondContact O-N 2.81Å; T242-S246 PolarHBondContact O-N 2.96Å; T242-S246 PolarHBondContact O-OG 3.25Å
243I85.5Confident90.4Very high76 Ų7687.4 Ų87.439%0.3942%0.424SS..Hα-helixtrans-64.3-42.7177.3-66.5166.2000111.2N239 R240 R241 L245 S246 H247N239-I243 WeakPolarHBondContact O-CG1 3.42Å; N239-I243 PolarHBondContact O-N 3.34Å; R240-I243 PolarHBondContact O-N 3.33Å; R241-I243 VanDerWaalsContact C-N 3.35Å; R241-I243 PolarHBondContact O-N 3.45Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 2.83Å; I243-S246 PolarHBondContact O-N 3.19Å; I243-S246 PolarHBondContact O-OG 3.35Å; I243-H247 PolarHBondContact O-CD2 3.2Å; I243-H247 PolarHBondContact O-N 2.92Å
244Q90.6Very high90.1Very high131 Ų13188.8 Ų88.861%0.61243%0.426SS*.Hα-helixtrans-62.6-41.3176.6-74.7173.3-15.100112.2R240 R241 H247 R248R240-Q244 VanDerWaalsContact O-CG 3.3Å; R240-Q244 WeakPolarHBondContact O-CG 3.42Å; R240-Q244 PolarHBondContact O-N 2.81Å; R241-Q244 PolarHBondContact O-N 3.42Å; Q244-H247 PolarHBondContact O-N 2.82Å; Q244-R248 WeakPolarHBondContact O-CB 3.29Å; Q244-R248 PolarHBondContact O-N 3.2Å
245L90.7Very high89.7Confident92 Ų9291 Ų9148%0.48244%0.438SS..Hα-helixtrans-66.8-41.6177.2-70.4171.8000111.6R241 T242 I243 H247 R248 F249R241-L245 VanDerWaalsContact O-CG 3.3Å; R241-L245 WeakPolarHBondContact O-CG 3.47Å; R241-L245 PolarHBondContact O-N 2.98Å; T242-L245 PolarHBondContact O-N 2.81Å; I243-L245 VanDerWaalsContact C-N 3.34Å; I243-L245 PolarHBondContact O-N 2.83Å; L245-H247 PolarHBondContact O-N 3.18Å; L245-R248 PolarHBondContact O-N 3.37Å; L245-F249 HydrophobicContact CB-CD2 4.45Å; L245-F249 HydrophobicContact CB-CE2 4.27Å; L245-F249 WeakPolarHBondContact O-CD2 3.34Å; L245-F249 PolarHBondContact O-N 3.44Å
246S88.1Confident89.4Confident63 Ų6396.6 Ų96.644%0.44146%0.464SS..Hα-helixtrans-65.8-37.9177.167.30000112.6T242 I243 S250T242-S246 PolarHBondContact O-N 2.96Å; T242-S246 PolarHBondContact O-OG 3.25Å; I243-S246 PolarHBondContact O-N 3.19Å; I243-S246 PolarHBondContact O-OG 3.35Å; S246-S250 WeakPolarHBondContact O-CB 3.32Å; S246-S250 PolarHBondContact O-N 3.23Å; S246-S250 PolarHBondContact O-OG 3.42Å
247H87Confident89.2Confident123 Ų123102.7 Ų102.757%0.56948%0.483SS*.Hα-helixtrans-64-41.5171.7-81.9-62.7000112.1I243 Q244 L245 S250 S251I243-H247 PolarHBondContact O-CD2 3.2Å; I243-H247 PolarHBondContact O-N 2.92Å; Q244-H247 PolarHBondContact O-N 2.82Å; L245-H247 PolarHBondContact O-N 3.18Å; H247-S250 WeakPolarHBondContact CA-OG 3.48Å; H247-S250 PolarHBondContact O-N 3.06Å; H247-S250 PolarHBondContact O-OG 2.91Å; H247-S251 WeakPolarHBondContact O-CB 3.27Å; H247-S251 PolarHBondContact O-N 2.98Å; H247-S251 PolarHBondContact O-OG 2.87Å
248R90.7Very high88.8Confident158 Ų15899.7 Ų99.760%0.59648%0.48SS*.Hα-helixtrans-62.8-49.9176.4-173.2176.1177.8166.75.1111.6Q244 L245 S250 S251 E252Q244-R248 WeakPolarHBondContact O-CB 3.29Å; Q244-R248 PolarHBondContact O-N 3.2Å; L245-R248 PolarHBondContact O-N 3.37Å; R248-S250 VanDerWaalsContact C-N 3.35Å; R248-S250 PolarHBondContact O-N 3.48Å; R248-S251 PolarHBondContact O-N 3.22Å; R248-S251 PolarHBondContact O-OG 2.96Å; R248-E252 HydrophobicContact CG-CG 4.47Å; R248-E252 WeakPolarHBondContact CG-OE1 3.3Å; R248-E252 IonicContact CZ-OE1 2.95Å; R248-E252 IonicContact NE-OE1 2.79Å; R248-E252 PolarHBondContact NE-OE1 2.95Å; R248-E252 IonicContact NH2-OE1 3.77Å; R248-E252 WeakPolarHBondContact O-CG 3.17Å; R248-E252 PolarHBondContact O-N 3.34Å
249F89.5Confident88.5Confident135 Ų13597.9 Ų97.959%0.59248%0.481SS*.Hα-helixtrans-60.8-40.8177.8-74.5-59.9000112.9L245 E252 H253L245-F249 HydrophobicContact CB-CD2 4.45Å; L245-F249 HydrophobicContact CB-CE2 4.27Å; L245-F249 WeakPolarHBondContact O-CD2 3.34Å; L245-F249 PolarHBondContact O-N 3.44Å; F249-E252 PolarHBondContact O-N 3.1Å; F249-H253 VanDerWaalsContact O-CB 3.25Å; F249-H253 WeakPolarHBondContact O-CB 3.1Å; F249-H253 PolarHBondContact O-N 3.42Å
250S90.6Very high88.4Confident53 Ų53100 Ų10037%0.37150%0.495SS..Hα-helixtrans-67.6-36.717654.60000112.4S246 H247 R248 N254S246-S250 WeakPolarHBondContact O-CB 3.32Å; S246-S250 PolarHBondContact O-N 3.23Å; S246-S250 PolarHBondContact O-OG 3.42Å; H247-S250 WeakPolarHBondContact CA-OG 3.48Å; H247-S250 PolarHBondContact O-N 3.06Å; H247-S250 PolarHBondContact O-OG 2.91Å; R248-S250 VanDerWaalsContact C-N 3.35Å; R248-S250 PolarHBondContact O-N 3.48Å; S250-N254 VanDerWaalsContact O-CB 3.31Å; S250-N254 WeakPolarHBondContact O-CB 3.18Å; S250-N254 PolarHBondContact O-N 3.4Å; S250-N254 PolarHBondContact O-ND2 3.48Å; S250-N254 VanDerWaalsContact O-ND2 3.16Å
251S89.7Confident88.2Confident55 Ų55101.3 Ų101.339%0.38550%0.504SS..Hα-helixtrans-66.1-44.5174.373.80000112.6H247 R248 N254 L255H247-S251 WeakPolarHBondContact O-CB 3.27Å; H247-S251 PolarHBondContact O-N 2.98Å; H247-S251 PolarHBondContact O-OG 2.87Å; R248-S251 PolarHBondContact O-N 3.22Å; R248-S251 PolarHBondContact O-OG 2.96Å; S251-N254 PolarHBondContact O-N 3.3Å; S251-L255 WeakPolarHBondContact O-CB 3.36Å; S251-L255 WeakPolarHBondContact O-CG 3.13Å; S251-L255 PolarHBondContact O-N 3.29Å
252E90Very high87.9Confident79 Ų79101.1 Ų101.137%0.36951%0.509SS..Hα-helixtrans-63.9-42.8177.8-72.5172.5-17700110.8R248 F249 L255 Q256R248-E252 HydrophobicContact CG-CG 4.47Å; R248-E252 WeakPolarHBondContact CG-OE1 3.3Å; R248-E252 IonicContact CZ-OE1 2.95Å; R248-E252 IonicContact NE-OE1 2.79Å; R248-E252 PolarHBondContact NE-OE1 2.95Å; R248-E252 IonicContact NH2-OE1 3.77Å; R248-E252 WeakPolarHBondContact O-CG 3.17Å; R248-E252 PolarHBondContact O-N 3.34Å; F249-E252 PolarHBondContact O-N 3.1Å; E252-L255 PolarHBondContact O-N 3.49Å; E252-Q256 WeakPolarHBondContact O-CG 3.47Å; E252-Q256 PolarHBondContact O-N 3.4Å
253H88Confident87.7Confident86 Ų86103.7 Ų103.740%0.39851%0.513SS..Hα-helixtrans-66.7-36.8175.8-179.7-103.4000112.8F249 R257F249-H253 VanDerWaalsContact O-CB 3.25Å; F249-H253 WeakPolarHBondContact O-CB 3.1Å; F249-H253 PolarHBondContact O-N 3.42Å; H253-R257 PolarHBondContact CE1-NE 3.12Å; H253-R257 PolarHBondContact CE1-NH2 3.22Å; H253-R257 VanDerWaalsContact CE1-NH2 3.29Å; H253-R257 WeakPolarHBondContact O-CG 3.34Å; H253-R257 PolarHBondContact O-N 3.24Å
254N89.2Confident87.6Confident96 Ų96103.7 Ų103.751%0.51352%0.519SS..Hα-helixtrans-68.9-37.7174.6-74.7-25000112.3S250 S251 R257 S258S250-N254 VanDerWaalsContact O-CB 3.31Å; S250-N254 WeakPolarHBondContact O-CB 3.18Å; S250-N254 PolarHBondContact O-N 3.4Å; S250-N254 PolarHBondContact O-ND2 3.48Å; S250-N254 VanDerWaalsContact O-ND2 3.16Å; S251-N254 PolarHBondContact O-N 3.3Å; N254-R257 PolarHBondContact O-N 3.31Å; N254-S258 PolarHBondContact O-N 3.27Å; N254-S258 PolarHBondContact O-OG 3.15Å
255L88.8Confident87.3Confident113 Ų113100.9 Ų100.959%0.59251%0.513SS*.Hα-helixtrans-64.8-40.5174-75.9166.6000112.1S251 E252 R257 S258 S259S251-L255 WeakPolarHBondContact O-CB 3.36Å; S251-L255 WeakPolarHBondContact O-CG 3.13Å; S251-L255 PolarHBondContact O-N 3.29Å; E252-L255 PolarHBondContact O-N 3.49Å; L255-R257 VanDerWaalsContact C-N 3.34Å; L255-S258 WeakPolarHBondContact CA-OG 3.31Å; L255-S258 PolarHBondContact O-N 2.9Å; L255-S258 PolarHBondContact O-OG 2.68Å; L255-S259 PolarHBondContact O-N 2.97Å; L255-S259 PolarHBondContact O-OG 3.03Å
256Q86.5Confident86.9Confident128 Ų128104 Ų10460%0.59853%0.528SS*.Hα-helixtrans-63.9-39173-74.2178.6-24.600111.9E252 S259 V260E252-Q256 WeakPolarHBondContact O-CG 3.47Å; E252-Q256 PolarHBondContact O-N 3.4Å; Q256-S259 PolarHBondContact O-OG 3.18Å; Q256-V260 VanDerWaalsContact O-CG2 3.25Å; Q256-V260 WeakPolarHBondContact O-CG2 3.27Å; Q256-V260 PolarHBondContact O-N 2.87Å; Q256-V260 VanDerWaalsContact O-N 3.16Å
257R86.7Confident86.6Confident151 Ų151105.8 Ų105.857%0.5754%0.536SS*.Hα-helixtrans-66.9-36.5175.3-76.5-179.2174.6-163.3-3112.8H253 N254 L255 K261H253-R257 PolarHBondContact CE1-NE 3.12Å; H253-R257 PolarHBondContact CE1-NH2 3.22Å; H253-R257 VanDerWaalsContact CE1-NH2 3.29Å; H253-R257 WeakPolarHBondContact O-CG 3.34Å; H253-R257 PolarHBondContact O-N 3.24Å; N254-R257 PolarHBondContact O-N 3.31Å; L255-R257 VanDerWaalsContact C-N 3.34Å; R257-K261 WeakPolarHBondContact O-CG 3.49Å; R257-K261 PolarHBondContact O-N 2.76Å
258S86.3Confident85.6Confident55 Ų55106.7 Ų106.739%0.38556%0.556SS.*Hα-helixtrans-73.2-38.4178.360.90000112.4N254 L255 K261 Q262N254-S258 PolarHBondContact O-N 3.27Å; N254-S258 PolarHBondContact O-OG 3.15Å; L255-S258 WeakPolarHBondContact CA-OG 3.31Å; L255-S258 PolarHBondContact O-N 2.9Å; L255-S258 PolarHBondContact O-OG 2.68Å; S258-K261 PolarHBondContact O-N 2.57Å; S258-Q262 PolarHBondContact O-N 3.42Å
259S85.5Confident85.3Confident64 Ų64104.1 Ų104.145%0.44855%0.554SS.*Hα-helixtrans-65.3-41.1176.464.80000112.3L255 Q256 K261 Q262 F263L255-S259 PolarHBondContact O-N 2.97Å; L255-S259 PolarHBondContact O-OG 3.03Å; Q256-S259 PolarHBondContact O-OG 3.18Å; S259-K261 PolarHBondContact O-N 2.91Å; S259-Q262 PolarHBondContact O-N 3Å; S259-F263 WeakPolarHBondContact O-CB 3.43Å; S259-F263 PolarHBondContact O-N 3.17Å
260V85.5Confident85.1Confident91 Ų91102.5 Ų102.555%0.55255%0.552SS**Hα-helixtrans-61.2-43.4173.5172.20000111.1Q256 F263 C264Q256-V260 VanDerWaalsContact O-CG2 3.25Å; Q256-V260 WeakPolarHBondContact O-CG2 3.27Å; Q256-V260 PolarHBondContact O-N 2.87Å; Q256-V260 VanDerWaalsContact O-N 3.16Å; V260-F263 PolarHBondContact O-N 2.99Å; V260-C264 PolarHBondContact O-N 2.88Å; V260-C264 PolarHBondContact O-SG 2.71Å; V260-C264 VanDerWaalsContact O-SG 3.34Å
261K84Confident84.8Confident159 Ų159105.2 Ų105.269%0.69156%0.562SS**Hα-helixtrans-63.3-42.2176.4-76.1179.6179.2-172.70112.8R257 S258 S259 C264 S265R257-K261 WeakPolarHBondContact O-CG 3.49Å; R257-K261 PolarHBondContact O-N 2.76Å; S258-K261 PolarHBondContact O-N 2.57Å; S259-K261 PolarHBondContact O-N 2.91Å; K261-C264 PolarHBondContact O-N 3.45Å; K261-S265 PolarHBondContact O-N 2.83Å; K261-S265 VanDerWaalsContact O-N 3.16Å
262Q84.2Confident84.5Confident127 Ų127108.2 Ų108.259%0.59357%0.572SS**Hα-helixtrans-64.2-43.2176.4-85.5-178.7-30.100112S258 S259 C264 S265 M266S258-Q262 PolarHBondContact O-N 3.42Å; S259-Q262 PolarHBondContact O-N 3Å; Q262-C264 PolarHBondContact O-N 3.34Å; Q262-S265 WeakPolarHBondContact CA-OG 3.39Å; Q262-S265 PolarHBondContact O-N 2.98Å; Q262-S265 VanDerWaalsContact O-N 3.13Å; Q262-S265 PolarHBondContact O-OG 3.42Å; Q262-M266 PolarHBondContact O-N 2.69Å
263F84.4Confident84.2Confident143 Ų143110 Ų11063%0.62759%0.585SS**Hα-helixtrans-60.8-46177.2-171-95.1000111.5S259 V260 S265 M266 T267S259-F263 WeakPolarHBondContact O-CB 3.43Å; S259-F263 PolarHBondContact O-N 3.17Å; V260-F263 PolarHBondContact O-N 2.99Å; F263-S265 PolarHBondContact O-N 3.38Å; F263-M266 PolarHBondContact O-N 3.44Å; F263-M266 VanDerWaalsContact O-N 3.15Å; F263-T267 HydrophobicContact CD1-CG2 4.49Å; F263-T267 HydrophobicContact CE1-CG2 4.08Å; F263-T267 HydrophobicContact CZ-CG2 4.3Å; F263-T267 PolarHBondContact O-N 2.72Å; F263-T267 PolarHBondContact O-OG1 3.02Å
264C83.8Confident83.9Confident76 Ų76111.6 Ų111.651%0.51460%0.598SS.*Hα-helixtrans-59.8-30.7175.2-69.80000113.4V260 K261 Q262 T267V260-C264 PolarHBondContact O-N 2.88Å; V260-C264 PolarHBondContact O-SG 2.71Å; V260-C264 VanDerWaalsContact O-SG 3.34Å; K261-C264 PolarHBondContact O-N 3.45Å; Q262-C264 PolarHBondContact O-N 3.34Å; C264-T267 PolarHBondContact O-OG1 2.96Å
265S83.4Confident83.5Confident71 Ų71112.7 Ų112.750%0.49760%0.604SS.*Hα-helixtrans-80-18.6177.566.80000115K261 Q262 F263 S268K261-S265 PolarHBondContact O-N 2.83Å; K261-S265 VanDerWaalsContact O-N 3.16Å; Q262-S265 WeakPolarHBondContact CA-OG 3.39Å; Q262-S265 PolarHBondContact O-N 2.98Å; Q262-S265 VanDerWaalsContact O-N 3.13Å; Q262-S265 PolarHBondContact O-OG 3.42Å; F263-S265 PolarHBondContact O-N 3.38Å; S265-S268 PolarHBondContact O-OG 3.41Å
266M83.2Confident83.1Confident158 Ų158112.7 Ų112.778%0.77860%0.604SS**Hα-helixtrans-87.9-22176.9-72.9-176.317500112.7Q262 F263Q262-M266 PolarHBondContact O-N 2.69Å; F263-M266 PolarHBondContact O-N 3.44Å; F263-M266 VanDerWaalsContact O-N 3.15Å
267T81.2Confident82.9Confident100 Ų100111.4 Ų111.461%0.61361%0.605SS**  trans-89.3-4.3178.454.10000113.8F263 C264F263-T267 HydrophobicContact CD1-CG2 4.49Å; F263-T267 HydrophobicContact CE1-CG2 4.08Å; F263-T267 HydrophobicContact CZ-CG2 4.3Å; F263-T267 PolarHBondContact O-N 2.72Å; F263-T267 PolarHBondContact O-OG1 3.02Å; C264-T267 PolarHBondContact O-OG1 2.96Å
268S66.1Low82.5Confident142 Ų142107.8 Ų107.899%0.99361%0.608SS**  trans-101.30176.261.80000111.2S265S265-S268 PolarHBondContact O-OG 3.41Å

Retrieved 268 of 268 residues in 237.7 ms (Link to these results)

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