A0A060W834_ONCMY Loading...

Cholesterol 25-hydroxylase

AlphaFold DB , UniProt , Accession A0A060W834, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ch25h, Length 252 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
1M73.4Confident93.4Very high204 Ų20476.5 Ų76.5100%1.00541%0.406SS*.  0-65.40-71-176.26300111.8L3 Q4 S5M1-L3 PolarHBondContact O-N 2.92Å; M1-Q4 PolarHBondContact O-N 3.22Å; M1-S5 PolarHBondContact O-N 3.05Å; M1-S5 PolarHBondContact O-OG 3.19Å; M1-S5 VanDerWaalsContact O-OG 3.14Å
2L91.3Very high93.5Very high148 Ų14875.6 Ų75.678%0.77543%0.428SS*.Hα-helixtrans-63.8-44.8-174.1-157.2148.2000114.1Q4 S5 L6L2-Q4 VanDerWaalsContact C-N 3.32Å; L2-Q4 PolarHBondContact O-N 3Å; L2-S5 PolarHBondContact O-N 2.78Å; L2-L6 PolarHBondContact O-N 3.36Å
3L94.4Very high93.6Very high35 Ų3581.2 Ų81.218%0.18344%0.439CS..Hα-helixtrans-64.3-35.9174.6-71.9-179.6000112.8M1 L6 W7 A101 T104 L107M1-L3 PolarHBondContact O-N 2.92Å; L3-L6 PolarHBondContact O-N 2.76Å; L3-W7 VanDerWaalsContact O-CB 3.3Å; L3-W7 WeakPolarHBondContact O-CB 3.45Å; L3-W7 PolarHBondContact O-N 3.03Å; L3-A101 HydrophobicContact CB-CB 4.45Å; L3-T104 HydrophobicContact CD1-CG2 4.26Å; L3-T104 VanDerWaalsContact CD1-OG1 3.27Å; L3-T104 WeakPolarHBondContact CD1-OG1 3.46Å; L3-L107 HydrophobicContact CD1-CD1 4.24Å; L3-L107 HydrophobicContact CD2-CD1 4.21Å
4Q96.9Very high93.4Very high42 Ų4279.5 Ų79.520%0.19643%0.43CS..Hα-helixtrans-65.1-47.6176.1-170.962.446.700110.5M1 L2 L6 W7 D8 A99 A101M1-Q4 PolarHBondContact O-N 3.22Å; L2-Q4 VanDerWaalsContact C-N 3.32Å; L2-Q4 PolarHBondContact O-N 3Å; Q4-L6 VanDerWaalsContact C-N 3.31Å; Q4-L6 PolarHBondContact O-N 3.27Å; Q4-W7 CarbonylContact O-C 3.33Å; Q4-W7 WeakPolarHBondContact O-CA 3.4Å; Q4-W7 WeakPolarHBondContact O-CB 3.5Å; Q4-W7 PolarHBondContact O-N 2.93Å; Q4-D8 PolarHBondContact NE2-OD1 3.45Å; Q4-D8 PolarHBondContact O-N 3.32Å; Q4-A99 PolarHBondContact NE2-O 3.12Å; Q4-A101 HydrophobicContact CB-CB 4.34Å
5S96.4Very high93.2Very high77 Ų7780.2 Ų80.254%0.53845%0.451SS..Hα-helixtrans-61.1-38.6178.1-560000113M1 L2 L9M1-S5 PolarHBondContact O-N 3.05Å; M1-S5 PolarHBondContact O-OG 3.19Å; M1-S5 VanDerWaalsContact O-OG 3.14Å; L2-S5 PolarHBondContact O-N 2.78Å; S5-L9 WeakPolarHBondContact O-CB 3.39Å; S5-L9 PolarHBondContact O-N 3.43Å; S5-L9 VanDerWaalsContact O-N 3.14Å
6L95.7Very high93.3Very high76 Ų7682.6 Ų82.640%0.39845%0.451SS..Hα-helixtrans-63.9-43.5172.5175.562.2000111.2L2 L3 Q4 L9 I10L2-L6 PolarHBondContact O-N 3.36Å; L3-L6 PolarHBondContact O-N 2.76Å; Q4-L6 VanDerWaalsContact C-N 3.31Å; Q4-L6 PolarHBondContact O-N 3.27Å; L6-L9 WeakPolarHBondContact O-CB 3.38Å; L6-L9 PolarHBondContact O-N 2.86Å; L6-I10 HydrophobicContact CD1-CD1 4.11Å; L6-I10 HydrophobicContact CG-CD1 4.02Å; L6-I10 WeakPolarHBondContact O-CG1 3.21Å; L6-I10 PolarHBondContact O-N 3.27Å
7W96.7Very high93.2Very high0 Ų078.4 Ų78.40%043%0.428CS..Hα-helixtrans-67-42.8-179.9-173.5-130.2000112.4L3 Q4 L9 I10 L11 F97 I98 A99 A101 H179 P180 L181L3-W7 VanDerWaalsContact O-CB 3.3Å; L3-W7 WeakPolarHBondContact O-CB 3.45Å; L3-W7 PolarHBondContact O-N 3.03Å; Q4-W7 CarbonylContact O-C 3.33Å; Q4-W7 WeakPolarHBondContact O-CA 3.4Å; Q4-W7 WeakPolarHBondContact O-CB 3.5Å; Q4-W7 PolarHBondContact O-N 2.93Å; W7-L9 VanDerWaalsContact C-N 3.28Å; W7-L9 PolarHBondContact O-N 2.99Å; W7-I10 HydrophobicContact CE3-CB 3.98Å; W7-I10 HydrophobicContact CE3-CD1 4.24Å; W7-I10 HydrophobicContact CE3-CG2 3.92Å; W7-I10 HydrophobicContact CZ3-CB 4.19Å; W7-I10 HydrophobicContact CZ3-CG2 3.59Å; W7-I10 CarbonylContact O-C 3.6Å; W7-I10 PolarHBondContact O-N 2.93Å; W7-I10 VanDerWaalsContact O-N 3.09Å; W7-L11 HydrophobicContact CD2-CD1 4.37Å; W7-L11 HydrophobicContact CD2-CG 4.07Å; W7-L11 HydrophobicContact CG-CD1 4.34Å; W7-L11 HydrophobicContact CG-CG 4.43Å; W7-L11 HydrophobicContact CH2-CD2 4.03Å; W7-L11 HydrophobicContact CH2-CG 4.5Å; W7-L11 HydrophobicContact CZ2-CD1 4.37Å; W7-L11 HydrophobicContact CZ2-CD2 3.55Å; W7-L11 HydrophobicContact CZ2-CG 3.95Å; W7-L11 WeakPolarHBondContact O-CB 3.33Å; W7-L11 WeakPolarHBondContact O-CG 3.29Å; W7-L11 PolarHBondContact O-N 2.76Å; W7-F97 HydrophobicContact CH2-CB 4.5Å; W7-F97 AromaticContact CH2-CD1 3.78Å; W7-F97 HydrophobicContact CH2-CD1 3.78Å; W7-F97 HydrophobicContact CH2-CE1 4.45Å; W7-F97 HydrophobicContact CH2-CG 4.4Å; W7-F97 HydrophobicContact CZ2-CB 4.12Å; W7-F97 HydrophobicContact CZ2-CD1 4.17Å; W7-I98 PolarHBondContact NE1-O 3.44Å; W7-A99 VanDerWaalsContact CD1-O 3.23Å; W7-A99 PolarHBondContact NE1-O 2.77Å; W7-A101 HydrophobicContact CB-CB 3.77Å; W7-A101 HydrophobicContact CG-CB 4.05Å; W7-H179 AromaticContact CD2-CE1 3.84Å; W7-H179 AromaticContact CE2-CE1 3.43Å; W7-H179 VanDerWaalsContact CE2-CE1 3.43Å; W7-H179 AromaticContact CE2-NE2 3.9Å; W7-H179 AromaticContact CZ2-CE1 3.59Å; W7-H179 AromaticContact NE1-CE1 3.67Å; W7-H179 AromaticContact NE1-NE2 3.69Å; W7-P180 HydrophobicContact CH2-CB 3.91Å; W7-P180 HydrophobicContact CZ2-CB 4.44Å; W7-L181 HydrophobicContact CB-CD2 4.3Å; W7-L181 HydrophobicContact CD2-CB 4.37Å; W7-L181 HydrophobicContact CE3-CB 3.81Å; W7-L181 HydrophobicContact CE3-CD1 4.11Å; W7-L181 HydrophobicContact CE3-CD2 4.42Å; W7-L181 HydrophobicContact CE3-CG 4.33Å; W7-L181 HydrophobicContact CZ3-CB 4.03Å
8D96.7Very high93.1Very high84 Ų8478.1 Ų78.145%0.44942%0.424SS..Hα-helixtrans-58.8-41.1174.7-64.1-25.9000111.3Q4 L11 G12Q4-D8 PolarHBondContact NE2-OD1 3.45Å; Q4-D8 PolarHBondContact O-N 3.32Å; D8-L11 PolarHBondContact O-N 2.73Å; D8-G12 PolarHBondContact O-N 3.13Å
9L96.3Very high93.1Very high105 Ų10575.1 Ų75.155%0.5541%0.41SS..Hα-helixtrans-61.4-45.4174.317968000111.4S5 L6 W7 G12 Y13S5-L9 WeakPolarHBondContact O-CB 3.39Å; S5-L9 PolarHBondContact O-N 3.43Å; S5-L9 VanDerWaalsContact O-N 3.14Å; L6-L9 WeakPolarHBondContact O-CB 3.38Å; L6-L9 PolarHBondContact O-N 2.86Å; W7-L9 VanDerWaalsContact C-N 3.28Å; W7-L9 PolarHBondContact O-N 2.99Å; L9-G12 PolarHBondContact O-N 3.22Å; L9-Y13 VanDerWaalsContact O-CD2 3.29Å; L9-Y13 WeakPolarHBondContact O-CD2 3.27Å
10I95.1Very high93Very high32 Ų3272.5 Ų72.516%0.16440%0.396CS..Hα-helixtrans-64.1-45.5178-69.4165.2000110.3L6 W7 G12 Y13 L17 L181 M184L6-I10 HydrophobicContact CD1-CD1 4.11Å; L6-I10 HydrophobicContact CG-CD1 4.02Å; L6-I10 WeakPolarHBondContact O-CG1 3.21Å; L6-I10 PolarHBondContact O-N 3.27Å; W7-I10 HydrophobicContact CE3-CB 3.98Å; W7-I10 HydrophobicContact CE3-CD1 4.24Å; W7-I10 HydrophobicContact CE3-CG2 3.92Å; W7-I10 HydrophobicContact CZ3-CB 4.19Å; W7-I10 HydrophobicContact CZ3-CG2 3.59Å; W7-I10 CarbonylContact O-C 3.6Å; W7-I10 PolarHBondContact O-N 2.93Å; W7-I10 VanDerWaalsContact O-N 3.09Å; I10-G12 PolarHBondContact O-N 3.17Å; I10-Y13 PolarHBondContact O-N 2.71Å; I10-L17 HydrophobicContact CG2-CD1 3.68Å; I10-L17 HydrophobicContact CG2-CD2 4.26Å; I10-L17 WeakPolarHBondContact O-CD1 3.46Å; I10-L181 HydrophobicContact CD1-CD1 3.64Å; I10-M184 HydrophobicContact CG2-CE 4.38Å; I10-M184 HydrophobicContact CG2-SD 4.39Å
11L94.9Very high93.1Very high39 Ų3973.8 Ų73.820%0.20440%0.399CS..Hα-helixtrans-61.6-25.5175.4-73.3180000112.8W7 D8 Y13 N14 F97W7-L11 HydrophobicContact CD2-CD1 4.37Å; W7-L11 HydrophobicContact CD2-CG 4.07Å; W7-L11 HydrophobicContact CG-CD1 4.34Å; W7-L11 HydrophobicContact CG-CG 4.43Å; W7-L11 HydrophobicContact CH2-CD2 4.03Å; W7-L11 HydrophobicContact CH2-CG 4.5Å; W7-L11 HydrophobicContact CZ2-CD1 4.37Å; W7-L11 HydrophobicContact CZ2-CD2 3.55Å; W7-L11 HydrophobicContact CZ2-CG 3.95Å; W7-L11 WeakPolarHBondContact O-CB 3.33Å; W7-L11 WeakPolarHBondContact O-CG 3.29Å; W7-L11 PolarHBondContact O-N 2.76Å; D8-L11 PolarHBondContact O-N 2.73Å; L11-Y13 PolarHBondContact O-N 2.92Å; L11-Y13 VanDerWaalsContact O-N 3.08Å; L11-N14 WeakPolarHBondContact O-CB 3.5Å; L11-N14 PolarHBondContact O-N 3.42Å; L11-F97 HydrophobicContact CD2-CB 3.69Å; L11-F97 HydrophobicContact CD2-CG 4.31Å
12G94.4Very high94.1Very high65 Ų6565.2 Ų65.267%0.6736%0.356SS*.THydrogen-bonded Turntrans-55.5-22.6169.600000113.6D8 L9 I10D8-G12 PolarHBondContact O-N 3.13Å; L9-G12 PolarHBondContact O-N 3.22Å; I10-G12 PolarHBondContact O-N 3.17Å
13Y94.1Very high94.3Very high148 Ų14861 Ų6158%0.5834%0.337SS*.THydrogen-bonded Turntrans-102.225.1175-59.1-86.2000113L9 I10 L11 A15 W16 L17L9-Y13 VanDerWaalsContact O-CD2 3.29Å; L9-Y13 WeakPolarHBondContact O-CD2 3.27Å; I10-Y13 PolarHBondContact O-N 2.71Å; L11-Y13 PolarHBondContact O-N 2.92Å; L11-Y13 VanDerWaalsContact O-N 3.08Å; Y13-A15 VanDerWaalsContact C-N 3.26Å; Y13-A15 PolarHBondContact O-N 3.18Å; Y13-A15 VanDerWaalsContact O-N 3.12Å; Y13-W16 WeakPolarHBondContact O-CA 3.32Å; Y13-W16 VanDerWaalsContact O-CB 3.31Å; Y13-W16 WeakPolarHBondContact O-CB 3.5Å; Y13-W16 PolarHBondContact O-N 2.8Å; Y13-L17 PolarHBondContact O-N 3.01Å
14N90.6Very high94.3Very high58 Ų5859.9 Ų59.931%0.3133%0.332SS..Hα-helixtrans-50.8-40.6-175.3-179.267.9000114.2L11 W16 L17 M18 F97L11-N14 WeakPolarHBondContact O-CB 3.5Å; L11-N14 PolarHBondContact O-N 3.42Å; N14-W16 PolarHBondContact O-N 3.12Å; N14-L17 PolarHBondContact O-N 2.8Å; N14-M18 PolarHBondContact ND2-SD 3.1Å; N14-M18 WeakPolarHBondContact O-CB 3.27Å; N14-M18 WeakPolarHBondContact O-CG 3.24Å; N14-M18 PolarHBondContact O-N 2.99Å; N14-M18 WeakPolarHBondContact OD1-CE 3.46Å; N14-F97 WeakPolarHBondContact OD1-CD2 3.36Å
15A91.6Very high94.3Very high90 Ų9061.1 Ų61.174%0.74434%0.339SS*.Hα-helixtrans-59.5-36.2176.900000112.4Y13Y13-A15 VanDerWaalsContact C-N 3.26Å; Y13-A15 PolarHBondContact O-N 3.18Å; Y13-A15 VanDerWaalsContact O-N 3.12Å
16W93.5Very high94.4Very high118 Ų11859.4 Ų59.445%0.44732%0.322SS..Hα-helixtrans-73.4-47173.7178-120.8000111.6Y13 N14 M18 S19 F21 F22 L25Y13-W16 WeakPolarHBondContact O-CA 3.32Å; Y13-W16 VanDerWaalsContact O-CB 3.31Å; Y13-W16 WeakPolarHBondContact O-CB 3.5Å; Y13-W16 PolarHBondContact O-N 2.8Å; N14-W16 PolarHBondContact O-N 3.12Å; W16-M18 PolarHBondContact O-N 3.4Å; W16-S19 WeakPolarHBondContact O-CB 3.35Å; W16-S19 PolarHBondContact O-N 2.66Å; W16-F21 HydrophobicContact CH2-CB 4.36Å; W16-F21 HydrophobicContact CZ3-CB 4.44Å; W16-F22 AromaticContact CD1-CD2 3.68Å; W16-F22 AromaticContact CE2-CD2 3.95Å; W16-F22 HydrophobicContact CG-CD2 4.45Å; W16-F22 AromaticContact NE1-CD2 3.35Å; W16-F22 VanDerWaalsContact NE1-CD2 3.35Å; W16-F22 AromaticContact NE1-CE2 3.97Å; W16-F22 VanDerWaalsContact O-CB 3.25Å; W16-F22 WeakPolarHBondContact O-CB 3.45Å; W16-L25 HydrophobicContact CH2-CD1 3.46Å; W16-L25 VanDerWaalsContact CH2-CD1 3.46Å; W16-L25 HydrophobicContact CZ2-CB 4.3Å; W16-L25 HydrophobicContact CZ2-CD1 3.95Å
17L92.3Very high94.4Very high11 Ų1157 Ų576%0.05831%0.312CS..Hα-helixtrans-58.6-33.9179.6-62.3176.1000113I10 Y13 N14 S19 F22 F97 M184I10-L17 HydrophobicContact CG2-CD1 3.68Å; I10-L17 HydrophobicContact CG2-CD2 4.26Å; I10-L17 WeakPolarHBondContact O-CD1 3.46Å; Y13-L17 PolarHBondContact O-N 3.01Å; N14-L17 PolarHBondContact O-N 2.8Å; L17-S19 VanDerWaalsContact C-N 3.27Å; L17-S19 PolarHBondContact O-N 2.92Å; L17-F22 HydrophobicContact CD2-CD1 4.34Å; L17-F22 HydrophobicContact CD2-CD2 4.28Å; L17-F22 HydrophobicContact CD2-CE1 3.79Å; L17-F22 HydrophobicContact CD2-CE2 3.7Å; L17-F22 HydrophobicContact CD2-CZ 3.43Å; L17-F22 VanDerWaalsContact CD2-CZ 3.43Å; L17-F97 HydrophobicContact CB-CD2 4.39Å; L17-F97 HydrophobicContact CB-CE2 3.49Å; L17-F97 VanDerWaalsContact CB-CE2 3.49Å; L17-F97 HydrophobicContact CB-CZ 3.67Å; L17-F97 HydrophobicContact CD1-CE2 4.31Å; L17-F97 HydrophobicContact CD1-CZ 4.4Å; L17-M184 HydrophobicContact CD2-CE 4.49Å
18M91.3Very high94.5Very high73 Ų7358.2 Ų58.236%0.3632%0.318SS..THydrogen-bonded Turntrans-80.8-2.3176.9-69.8-174.316400113.7N14 W16 W90 F97N14-M18 PolarHBondContact ND2-SD 3.1Å; N14-M18 WeakPolarHBondContact O-CB 3.27Å; N14-M18 WeakPolarHBondContact O-CG 3.24Å; N14-M18 PolarHBondContact O-N 2.99Å; N14-M18 WeakPolarHBondContact OD1-CE 3.46Å; W16-M18 PolarHBondContact O-N 3.4Å; M18-W90 PolarHBondContact O-NE1 2.88Å; M18-F97 HydrophobicContact CE-CD2 4.17Å; M18-F97 HydrophobicContact CG-CD2 4.3Å; M18-F97 HydrophobicContact CG-CE2 3.92Å
19S93.1Very high94.6Very high22 Ų2257.6 Ų57.615%0.15432%0.321CS..SBendtrans-74.7140.2-179.8-179.20000111.6W16 L17 F21 F22W16-S19 WeakPolarHBondContact O-CB 3.35Å; W16-S19 PolarHBondContact O-N 2.66Å; L17-S19 VanDerWaalsContact C-N 3.27Å; L17-S19 PolarHBondContact O-N 2.92Å; S19-F21 PolarHBondContact O-N 3.15Å; S19-F21 VanDerWaalsContact O-N 3.12Å; S19-F21 WeakPolarHBondContact OG-CD2 3.18Å; S19-F21 PolarHBondContact OG-N 2.68Å; S19-F22 WeakPolarHBondContact O-CB 3.1Å; S19-F22 PolarHBondContact O-N 2.78Å
20P91.9Very high94.7Very high22 Ų2253.7 Ų53.714%0.14330%0.301CS..THydrogen-bonded Turntrans-64.4-16.8173.428-35.2000113T86 V87 W90P20-T86 PolarHBondContact O-OG1 3.08Å; P20-V87 HydrophobicContact CB-CG2 4.03Å; P20-W90 HydrophobicContact CB-CB 3.99Å; P20-W90 HydrophobicContact CB-CD2 3.89Å; P20-W90 HydrophobicContact CB-CE3 4.25Å; P20-W90 HydrophobicContact CB-CG 3.76Å; P20-W90 HydrophobicContact CG-CD2 4.23Å; P20-W90 HydrophobicContact CG-CE3 4.47Å
21F94.6Very high94.8Very high101 Ų10152.1 Ų52.144%0.44329%0.293SS..THydrogen-bonded Turntrans-81.4-21.9176.2-60.9-84.3000113W16 S19 V24 L25 F83W16-F21 HydrophobicContact CH2-CB 4.36Å; W16-F21 HydrophobicContact CZ3-CB 4.44Å; S19-F21 PolarHBondContact O-N 3.15Å; S19-F21 VanDerWaalsContact O-N 3.12Å; S19-F21 WeakPolarHBondContact OG-CD2 3.18Å; S19-F21 PolarHBondContact OG-N 2.68Å; F21-V24 WeakPolarHBondContact O-CG1 3.39Å; F21-L25 HydrophobicContact CB-CD1 3.94Å; F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 WeakPolarHBondContact O-CG 3.45Å; F21-L25 PolarHBondContact O-N 3.21Å; F21-L25 VanDerWaalsContact O-N 3.12Å; F21-F83 HydrophobicContact CD1-CD2 4.33Å; F21-F83 AromaticContact CD1-CE2 3.36Å; F21-F83 HydrophobicContact CD1-CE2 3.36Å; F21-F83 AromaticContact CD1-CZ 3.68Å; F21-F83 HydrophobicContact CD1-CZ 3.68Å; F21-F83 HydrophobicContact CE1-CE1 4.31Å; F21-F83 AromaticContact CE1-CE2 3.5Å; F21-F83 HydrophobicContact CE1-CE2 3.5Å; F21-F83 VanDerWaalsContact CE1-CE2 3.5Å; F21-F83 AromaticContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CG-CE2 4.11Å; F21-F83 HydrophobicContact CZ-CE2 4.33Å; F21-F83 AromaticContact CZ-CZ 3.95Å; F21-F83 HydrophobicContact CZ-CZ 3.95Å
22F94.5Very high95Very high24 Ų2453.4 Ų53.411%0.10530%0.3CS..Hα-helixtrans-60.5-51.5-172.6167-108.2000113.1W16 L17 S19 V24 L25 F26 M184W16-F22 AromaticContact CD1-CD2 3.68Å; W16-F22 AromaticContact CE2-CD2 3.95Å; W16-F22 HydrophobicContact CG-CD2 4.45Å; W16-F22 AromaticContact NE1-CD2 3.35Å; W16-F22 VanDerWaalsContact NE1-CD2 3.35Å; W16-F22 AromaticContact NE1-CE2 3.97Å; W16-F22 VanDerWaalsContact O-CB 3.25Å; W16-F22 WeakPolarHBondContact O-CB 3.45Å; L17-F22 HydrophobicContact CD2-CD1 4.34Å; L17-F22 HydrophobicContact CD2-CD2 4.28Å; L17-F22 HydrophobicContact CD2-CE1 3.79Å; L17-F22 HydrophobicContact CD2-CE2 3.7Å; L17-F22 HydrophobicContact CD2-CZ 3.43Å; L17-F22 VanDerWaalsContact CD2-CZ 3.43Å; S19-F22 WeakPolarHBondContact O-CB 3.1Å; S19-F22 PolarHBondContact O-N 2.78Å; F22-V24 PolarHBondContact O-N 2.92Å; F22-L25 PolarHBondContact O-N 3.07Å; F22-F26 HydrophobicContact CD2-CB 4.17Å; F22-F26 HydrophobicContact CE2-CB 3.86Å; F22-F26 HydrophobicContact CE2-CD2 4.03Å; F22-F26 HydrophobicContact CE2-CG 4.14Å; F22-F26 HydrophobicContact CZ-CB 4.12Å; F22-F26 HydrophobicContact CZ-CD2 4.05Å; F22-F26 HydrophobicContact CZ-CG 4.05Å; F22-F26 WeakPolarHBondContact O-CB 3.5Å; F22-F26 PolarHBondContact O-N 3.45Å; F22-M184 HydrophobicContact CZ-CE 3.92Å; F22-M184 HydrophobicContact CZ-SD 4.49Å
23P94.3Very high95.2Very high59 Ų5953.1 Ų53.138%0.38329%0.291SS..Hα-helixtrans-59.9-44.1-174.3-24.934.9000113.1S27 T86P23-S27 PolarHBondContact O-N 2.86Å; P23-S27 PolarHBondContact O-OG 3.49Å; P23-T86 HydrophobicContact CB-CG2 3.84Å; P23-T86 HydrophobicContact CG-CG2 4.44Å
24V95.8Very high95.4Very high11 Ų1148.5 Ų48.57%0.06727%0.274CS..Hα-helixtrans-71.5-37-17870.70000112.4F21 F22 S27 L28 H78 L82 F83F21-V24 WeakPolarHBondContact O-CG1 3.39Å; F22-V24 PolarHBondContact O-N 2.92Å; V24-S27 PolarHBondContact O-OG 3.06Å; V24-L28 VanDerWaalsContact O-CB 3.25Å; V24-L28 WeakPolarHBondContact O-CB 3Å; V24-L28 PolarHBondContact O-N 3.35Å; V24-L28 VanDerWaalsContact O-N 3.15Å; V24-H78 HydrophobicContact CG2-CB 4.03Å; V24-L82 HydrophobicContact CG2-CB 4.15Å; V24-F83 HydrophobicContact CG1-CB 4.27Å; V24-F83 HydrophobicContact CG1-CD2 3.75Å; V24-F83 HydrophobicContact CG1-CG 4.43Å; V24-F83 HydrophobicContact CG2-CB 4.21Å
25L97.1Very high95.8Very high69 Ų6945.9 Ų45.936%0.36126%0.26SS..Hα-helixtrans-76.6-34.4177.7-68.9173.4000111.4W16 F21 F22 S29W16-L25 HydrophobicContact CH2-CD1 3.46Å; W16-L25 VanDerWaalsContact CH2-CD1 3.46Å; W16-L25 HydrophobicContact CZ2-CB 4.3Å; W16-L25 HydrophobicContact CZ2-CD1 3.95Å; F21-L25 HydrophobicContact CB-CD1 3.94Å; F21-L25 WeakPolarHBondContact O-CB 3.41Å; F21-L25 WeakPolarHBondContact O-CG 3.45Å; F21-L25 PolarHBondContact O-N 3.21Å; F21-L25 VanDerWaalsContact O-N 3.12Å; F22-L25 PolarHBondContact O-N 3.07Å; L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 3.24Å; L25-S29 PolarHBondContact O-OG 3.28Å
26F97.2Very high96.2Very high40 Ų4046.6 Ų46.618%0.17525%0.251CS..Hα-helixtrans-61.3-54.2173.1173.4-103.2000110.8F22 L28 S29 V30 M184 Y187 V188F22-F26 HydrophobicContact CD2-CB 4.17Å; F22-F26 HydrophobicContact CE2-CB 3.86Å; F22-F26 HydrophobicContact CE2-CD2 4.03Å; F22-F26 HydrophobicContact CE2-CG 4.14Å; F22-F26 HydrophobicContact CZ-CB 4.12Å; F22-F26 HydrophobicContact CZ-CD2 4.05Å; F22-F26 HydrophobicContact CZ-CG 4.05Å; F22-F26 WeakPolarHBondContact O-CB 3.5Å; F22-F26 PolarHBondContact O-N 3.45Å; F26-L28 PolarHBondContact O-N 3.17Å; F26-S29 PolarHBondContact O-N 3.28Å; F26-V30 HydrophobicContact CD2-CG2 4.17Å; F26-V30 HydrophobicContact CE2-CG2 3.96Å; F26-V30 HydrophobicContact CZ-CG2 4.2Å; F26-V30 WeakPolarHBondContact O-CB 3.3Å; F26-V30 VanDerWaalsContact O-CG2 3.24Å; F26-V30 WeakPolarHBondContact O-CG2 3.09Å; F26-V30 PolarHBondContact O-N 3.37Å; F26-M184 HydrophobicContact CE2-CE 4.17Å; F26-M184 HydrophobicContact CZ-CB 4.39Å; F26-M184 HydrophobicContact CZ-CE 4.41Å; F26-Y187 HydrophobicContact CE1-CD2 4.43Å; F26-V188 HydrophobicContact CE1-CG2 4.45Å; F26-V188 HydrophobicContact CE2-CG2 4.34Å; F26-V188 HydrophobicContact CZ-CG2 3.64Å
27S97.1Very high96.4Very high27 Ų2744.5 Ų44.519%0.18925%0.252CS..Hα-helixtrans-60.1-48.4-179.964.20000111.7P23 V24 S29 V30 Y31 H78P23-S27 PolarHBondContact O-N 2.86Å; P23-S27 PolarHBondContact O-OG 3.49Å; V24-S27 PolarHBondContact O-OG 3.06Å; S27-S29 PolarHBondContact O-N 3.04Å; S27-V30 PolarHBondContact O-N 3.1Å; S27-Y31 VanDerWaalsContact O-CB 3.27Å; S27-Y31 WeakPolarHBondContact O-CB 3.44Å; S27-Y31 PolarHBondContact O-N 3.15Å; S27-H78 PolarHBondContact OG-NE2 2.96Å
28L97.9Very high96.7Very high24 Ų2444.4 Ų44.413%0.12625%0.251CS..Hα-helixtrans-62.1-43.3-179.9-176.259.5000112V24 F26 Y31 L32 L75V24-L28 VanDerWaalsContact O-CB 3.25Å; V24-L28 WeakPolarHBondContact O-CB 3Å; V24-L28 PolarHBondContact O-N 3.35Å; V24-L28 VanDerWaalsContact O-N 3.15Å; F26-L28 PolarHBondContact O-N 3.17Å; L28-Y31 HydrophobicContact CD1-CD1 4.33Å; L28-Y31 PolarHBondContact O-N 3.46Å; L28-L32 HydrophobicContact CD1-CD1 3.94Å; L28-L32 HydrophobicContact CD1-CG 4.07Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.43Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.18Å; L28-L32 PolarHBondContact O-N 3.27Å; L28-L75 HydrophobicContact CD2-CD1 4.35Å
29S98.3Very high97Very high72 Ų7242 Ų4250%0.50324%0.241SC..Hα-helixtrans-67.3-42.8-179.2-59.20000111.7L25 F26 S27 A33L25-S29 WeakPolarHBondContact O-CB 3.29Å; L25-S29 PolarHBondContact O-N 3.24Å; L25-S29 PolarHBondContact O-OG 3.28Å; F26-S29 PolarHBondContact O-N 3.28Å; S27-S29 PolarHBondContact O-N 3.04Å; S29-A33 WeakPolarHBondContact O-CB 3.21Å; S29-A33 PolarHBondContact O-N 2.55Å
30V98.6Very high97.2Very high22 Ų2244.1 Ų44.113%0.13325%0.253CS..Hα-helixtrans-63.4-46.3176.7172.50000110.3F26 S27 A33 F34 V188 I191F26-V30 HydrophobicContact CD2-CG2 4.17Å; F26-V30 HydrophobicContact CE2-CG2 3.96Å; F26-V30 HydrophobicContact CZ-CG2 4.2Å; F26-V30 WeakPolarHBondContact O-CB 3.3Å; F26-V30 VanDerWaalsContact O-CG2 3.24Å; F26-V30 WeakPolarHBondContact O-CG2 3.09Å; F26-V30 PolarHBondContact O-N 3.37Å; S27-V30 PolarHBondContact O-N 3.1Å; V30-A33 PolarHBondContact O-N 3.49Å; V30-F34 HydrophobicContact CG1-CD2 3.74Å; V30-F34 HydrophobicContact CG1-CE2 3.38Å; V30-F34 HydrophobicContact CG1-CZ 4.04Å; V30-F34 WeakPolarHBondContact O-CG 3.09Å; V30-F34 PolarHBondContact O-N 3.25Å; V30-V188 HydrophobicContact CG1-CG1 4.46Å; V30-V188 HydrophobicContact CG1-CG2 4.34Å; V30-V188 HydrophobicContact CG2-CG2 4.32Å; V30-I191 HydrophobicContact CB-CD1 4.24Å; V30-I191 HydrophobicContact CG1-CB 4.25Å; V30-I191 HydrophobicContact CG1-CD1 4.02Å; V30-I191 HydrophobicContact CG1-CG2 4.1Å
31Y98.7Very high97.4Very high0 Ų044.6 Ų44.60%025%0.254CS..Hα-helixtrans-56.9-53.2176.4165-115000112.4S27 L28 A33 F34 C35 L152 T154 E155 V195S27-Y31 VanDerWaalsContact O-CB 3.27Å; S27-Y31 WeakPolarHBondContact O-CB 3.44Å; S27-Y31 PolarHBondContact O-N 3.15Å; L28-Y31 HydrophobicContact CD1-CD1 4.33Å; L28-Y31 PolarHBondContact O-N 3.46Å; Y31-A33 VanDerWaalsContact C-N 3.33Å; Y31-A33 PolarHBondContact O-N 3.08Å; Y31-F34 PolarHBondContact O-N 2.7Å; Y31-C35 WeakPolarHBondContact CE2-SG 3.28Å; Y31-C35 PolarHBondContact O-N 3.32Å; Y31-C35 PolarHBondContact O-SG 2.78Å; Y31-L152 VanDerWaalsContact OH-CA 3.3Å; Y31-L152 WeakPolarHBondContact OH-CA 3.31Å; Y31-L152 PolarHBondContact OH-O 3.41Å; Y31-T154 HydrophobicContact CE2-CG2 4.33Å; Y31-E155 HydrophobicContact CD1-CG 4.19Å; Y31-E155 WeakPolarHBondContact CD1-OE2 3.43Å; Y31-E155 HydrophobicContact CD2-CG 3.95Å; Y31-E155 HydrophobicContact CE1-CB 4.11Å; Y31-E155 VanDerWaalsContact CE1-CD 3.49Å; Y31-E155 HydrophobicContact CE1-CG 3.91Å; Y31-E155 WeakPolarHBondContact CE1-OE2 3.29Å; Y31-E155 HydrophobicContact CE2-CB 4.3Å; Y31-E155 HydrophobicContact CE2-CG 3.69Å; Y31-E155 HydrophobicContact CG-CG 4.18Å; Y31-V195 HydrophobicContact CD2-CG2 3.63Å; Y31-V195 HydrophobicContact CE2-CG2 3.94Å
32L98.6Very high97.5Very high66 Ų6640.1 Ų40.135%0.34623%0.234SC..Hα-helixtrans-64.3-38.3-179.9-68.3176.3000111.9L28 C35 L36 L71L28-L32 HydrophobicContact CD1-CD1 3.94Å; L28-L32 HydrophobicContact CD1-CG 4.07Å; L28-L32 HydrophobicContact CG-CD1 3.95Å; L28-L32 HydrophobicContact CG-CG 4.43Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.18Å; L28-L32 PolarHBondContact O-N 3.27Å; L32-C35 PolarHBondContact O-N 3.13Å; L32-L36 PolarHBondContact O-N 2.87Å; L32-L71 HydrophobicContact CD2-CD2 3.56Å
33A98.7Very high97.6Very high58 Ų5841.8 Ų41.848%0.47924%0.244SC..Hα-helixtrans-62.3-41.6175.900000111.9S29 V30 Y31 L36 P37S29-A33 WeakPolarHBondContact O-CB 3.21Å; S29-A33 PolarHBondContact O-N 2.55Å; V30-A33 PolarHBondContact O-N 3.49Å; Y31-A33 VanDerWaalsContact C-N 3.33Å; Y31-A33 PolarHBondContact O-N 3.08Å; A33-L36 PolarHBondContact O-N 2.96Å; A33-P37 VanDerWaalsContact O-CD 3.27Å; A33-P37 WeakPolarHBondContact O-CD 3.41Å
34F98.8Very high97.6Very high52 Ų5242 Ų4223%0.22824%0.242CC..Hα-helixtrans-74.2-28.4176.9-68.7-24.6000113.8V30 Y31 L36 P37 F38 V188 I191 W192 V195V30-F34 HydrophobicContact CG1-CD2 3.74Å; V30-F34 HydrophobicContact CG1-CE2 3.38Å; V30-F34 HydrophobicContact CG1-CZ 4.04Å; V30-F34 WeakPolarHBondContact O-CG 3.09Å; V30-F34 PolarHBondContact O-N 3.25Å; Y31-F34 PolarHBondContact O-N 2.7Å; F34-L36 VanDerWaalsContact C-N 3.35Å; F34-P37 WeakPolarHBondContact O-CD 3.48Å; F34-F38 VanDerWaalsContact O-CD2 3.31Å; F34-F38 WeakPolarHBondContact O-CD2 3.29Å; F34-V188 HydrophobicContact CE2-CG1 3.94Å; F34-V188 WeakPolarHBondContact CE2-O 3.24Å; F34-V188 HydrophobicContact CZ-CG1 3.69Å; F34-I191 HydrophobicContact CD2-CG2 4.09Å; F34-W192 HydrophobicContact CB-CE3 4.09Å; F34-W192 HydrophobicContact CB-CZ3 4.46Å; F34-W192 AromaticContact CD1-CE3 3.84Å; F34-W192 HydrophobicContact CD1-CE3 3.84Å; F34-W192 HydrophobicContact CD1-CZ3 4.32Å; F34-W192 HydrophobicContact CD2-CB 3.87Å; F34-W192 HydrophobicContact CD2-CE3 4.1Å; F34-W192 HydrophobicContact CE1-CE3 4.24Å; F34-W192 HydrophobicContact CE2-CB 3.62Å; F34-W192 HydrophobicContact CE2-CE3 4.49Å; F34-W192 AromaticContact CG-CE3 3.77Å; F34-W192 HydrophobicContact CG-CE3 3.77Å; F34-W192 HydrophobicContact CG-CZ3 4.44Å; F34-W192 HydrophobicContact CZ-CB 4.22Å; F34-V195 HydrophobicContact CB-CB 4.32Å; F34-V195 HydrophobicContact CB-CG1 4.09Å; F34-V195 HydrophobicContact CB-CG2 4.27Å
35C98.8Very high97.5Very high2 Ų242.4 Ų42.41%0.01425%0.245CC..Hα-helixtrans-70.9-32.2173.1-70.90000112.6Y31 L32 F38 V39 A151 L152Y31-C35 WeakPolarHBondContact CE2-SG 3.28Å; Y31-C35 PolarHBondContact O-N 3.32Å; Y31-C35 PolarHBondContact O-SG 2.78Å; L32-C35 PolarHBondContact O-N 3.13Å; C35-F38 PolarHBondContact O-N 2.73Å; C35-V39 WeakPolarHBondContact O-CG2 3.3Å; C35-V39 PolarHBondContact O-N 2.77Å; C35-A151 HydrophobicContact CB-CB 4.17Å; C35-A151 PolarHBondContact SG-O 2.86Å; C35-L152 HydrophobicContact CB-CD2 3.87Å
36L98.5Very high97.3Very high106 Ų10643.4 Ų43.456%0.55526%0.256SS*.Hα-helixtrans-54-47.6-170.7178.665.4000114L32 A33 F34 F38 V39 V40L32-L36 PolarHBondContact O-N 2.87Å; A33-L36 PolarHBondContact O-N 2.96Å; F34-L36 VanDerWaalsContact C-N 3.35Å; L36-F38 VanDerWaalsContact C-N 3.3Å; L36-F38 PolarHBondContact O-N 3.33Å; L36-V39 PolarHBondContact O-N 3.31Å; L36-V40 HydrophobicContact CD1-CG2 4.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.4Å
37P98Very high97Very high73 Ų7351 Ų5147%0.47428%0.283SS..Hα-helixtrans-56.5-42.2175.9-25.834.4000113.1A33 F34 V40 L41A33-P37 VanDerWaalsContact O-CD 3.27Å; A33-P37 WeakPolarHBondContact O-CD 3.41Å; F34-P37 WeakPolarHBondContact O-CD 3.48Å; P37-V40 WeakPolarHBondContact O-CB 3.44Å; P37-V40 PolarHBondContact O-N 3.44Å; P37-L41 WeakPolarHBondContact O-CG 3.26Å; P37-L41 PolarHBondContact O-N 3Å
38F98.1Very high96.9Very high9 Ų952.8 Ų52.84%0.03929%0.29CS..Hα-helixtrans-74-34.7-179.1-58.9-67.5000112.6F34 C35 L36 V40 L41 D42 A151 W192 V195 C199 Y201 L203F34-F38 VanDerWaalsContact O-CD2 3.31Å; F34-F38 WeakPolarHBondContact O-CD2 3.29Å; C35-F38 PolarHBondContact O-N 2.73Å; L36-F38 VanDerWaalsContact C-N 3.3Å; L36-F38 PolarHBondContact O-N 3.33Å; F38-V40 VanDerWaalsContact C-N 3.31Å; F38-L41 HydrophobicContact CD1-CD1 4.16Å; F38-L41 WeakPolarHBondContact O-CB 3.43Å; F38-L41 PolarHBondContact O-N 2.98Å; F38-D42 PolarHBondContact O-N 3.12Å; F38-A151 HydrophobicContact CB-CB 3.53Å; F38-A151 HydrophobicContact CD2-CB 3.91Å; F38-A151 HydrophobicContact CG-CB 4.04Å; F38-W192 HydrophobicContact CE2-CH2 4.09Å; F38-W192 HydrophobicContact CE2-CZ3 4.08Å; F38-W192 AromaticContact CZ-CH2 3.94Å; F38-W192 HydrophobicContact CZ-CH2 3.94Å; F38-W192 HydrophobicContact CZ-CZ3 4.4Å; F38-V195 HydrophobicContact CD2-CG1 3.98Å; F38-V195 HydrophobicContact CE2-CG1 3.98Å; F38-C199 HydrophobicContact CB-CB 4.39Å; F38-C199 HydrophobicContact CD1-CB 3.46Å; F38-C199 VanDerWaalsContact CD1-CB 3.46Å; F38-C199 HydrophobicContact CD2-CB 3.92Å; F38-C199 HydrophobicContact CE1-CB 3.5Å; F38-C199 HydrophobicContact CE2-CB 3.98Å; F38-C199 HydrophobicContact CG-CB 3.67Å; F38-C199 HydrophobicContact CZ-CB 3.77Å; F38-Y201 HydrophobicContact CD1-CD2 4.14Å; F38-L203 HydrophobicContact CE1-CD1 3.97Å
39V98.1Very high96.7Very high24 Ų2455.5 Ų55.515%0.14532%0.316CS..Hα-helixtrans-61.3-43170.1171.60000110.2C35 L36 L41 D42 L43 M67 L152C35-V39 WeakPolarHBondContact O-CG2 3.3Å; C35-V39 PolarHBondContact O-N 2.77Å; L36-V39 PolarHBondContact O-N 3.31Å; V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3.29Å; V39-D42 WeakPolarHBondContact O-CB 3.49Å; V39-D42 PolarHBondContact O-N 2.67Å; V39-L43 HydrophobicContact CG1-CD1 4.27Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.15Å; V39-L43 PolarHBondContact O-N 3.21Å; V39-M67 HydrophobicContact CG1-CE 4.28Å; V39-M67 HydrophobicContact CG1-SD 4.2Å; V39-L152 HydrophobicContact CG2-CD1 3.91Å; V39-L152 HydrophobicContact CG2-CD2 4.42Å; V39-L152 HydrophobicContact CG2-CG 3.97Å
40V97.5Very high96.5Very high65 Ų6559 Ų5939%0.39432%0.319SS..Hα-helixtrans-61-43.6174.2171.70000110.8L36 P37 F38 D42 L43 L44L36-V40 HydrophobicContact CD1-CG2 4.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.45Å; L36-V40 PolarHBondContact O-N 3.4Å; P37-V40 WeakPolarHBondContact O-CB 3.44Å; P37-V40 PolarHBondContact O-N 3.44Å; F38-V40 VanDerWaalsContact C-N 3.31Å; V40-D42 VanDerWaalsContact C-N 3.33Å; V40-D42 PolarHBondContact O-N 2.85Å; V40-L43 PolarHBondContact O-N 2.64Å; V40-L44 HydrophobicContact CG1-CD1 3.76Å; V40-L44 HydrophobicContact CG1-CG 4.3Å; V40-L44 WeakPolarHBondContact O-CB 3.22Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.34Å; V40-L44 PolarHBondContact O-N 3.01Å
41L96.8Very high96.3Very high33 Ų3358.1 Ų58.117%0.17331%0.313CS..Hα-helixtrans-59.4-43.1174-67.2178.2000111.8P37 F38 V39 L43 L44 S45 I51 Y201 L203P37-L41 WeakPolarHBondContact O-CG 3.26Å; P37-L41 PolarHBondContact O-N 3Å; F38-L41 HydrophobicContact CD1-CD1 4.16Å; F38-L41 WeakPolarHBondContact O-CB 3.43Å; F38-L41 PolarHBondContact O-N 2.98Å; V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3.29Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L41-L44 PolarHBondContact O-N 3.41Å; L41-S45 VanDerWaalsContact O-CB 3.32Å; L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 3Å; L41-I51 HydrophobicContact CB-CG2 4.28Å; L41-I51 HydrophobicContact CD2-CD1 4.03Å; L41-I51 HydrophobicContact CD2-CG1 4.46Å; L41-I51 HydrophobicContact CD2-CG2 4.18Å; L41-Y201 HydrophobicContact CB-CE1 4.14Å; L41-Y201 HydrophobicContact CB-CE2 3.85Å; L41-Y201 HydrophobicContact CD1-CD2 4.28Å; L41-Y201 HydrophobicContact CD1-CE2 4.34Å; L41-Y201 HydrophobicContact CD1-CG 4.4Å; L41-Y201 PolarHBondContact O-OH 3.06Å; L41-L203 HydrophobicContact CD1-CD1 4.2Å; L41-L203 HydrophobicContact CD1-CD2 4.46Å
42D96.6Very high96Very high6 Ų664.3 Ų64.33%0.03234%0.336CS..Hα-helixtrans-60.6-41.6177.7-75.6-27.9000112.3F38 V39 V40 L44 S45 P46 K55 V62 M67 Y201F38-D42 PolarHBondContact O-N 3.12Å; V39-D42 WeakPolarHBondContact O-CB 3.49Å; V39-D42 PolarHBondContact O-N 2.67Å; V40-D42 VanDerWaalsContact C-N 3.33Å; V40-D42 PolarHBondContact O-N 2.85Å; D42-L44 VanDerWaalsContact C-N 3.35Å; D42-S45 PolarHBondContact O-OG 3.2Å; D42-P46 WeakPolarHBondContact O-CD 3.35Å; D42-K55 WeakPolarHBondContact OD1-CE 3.25Å; D42-K55 IonicContact OD1-NZ 2.64Å; D42-K55 PolarHBondContact OD1-NZ 3.19Å; D42-V62 HydrophobicContact CB-CB 4.27Å; D42-V62 HydrophobicContact CB-CG2 4.47Å; D42-M67 HydrophobicContact CB-CE 3.64Å; D42-Y201 VanDerWaalsContact CA-OH 3.29Å; D42-Y201 WeakPolarHBondContact CA-OH 3.43Å; D42-Y201 PolarHBondContact N-OH 3.42Å; D42-Y201 VanDerWaalsContact N-OH 3.12Å; D42-Y201 WeakPolarHBondContact OD1-CE2 3.46Å; D42-Y201 PolarHBondContact OD1-OH 2.79Å
43L95.4Very high95.8Very high59 Ų5965.8 Ų65.831%0.30935%0.348SS..Hα-helixtrans-70.8-28.9177.7-65.3177.6000113.5V39 V40 L41 W64 M67V39-L43 HydrophobicContact CG1-CD1 4.27Å; V39-L43 VanDerWaalsContact O-CG 3.31Å; V39-L43 WeakPolarHBondContact O-CG 3.15Å; V39-L43 PolarHBondContact O-N 3.21Å; V40-L43 PolarHBondContact O-N 2.64Å; L41-L43 VanDerWaalsContact C-N 3.33Å; L41-L43 PolarHBondContact O-N 3.2Å; L43-W64 HydrophobicContact CD1-CH2 3.71Å; L43-W64 HydrophobicContact CD1-CZ2 4.22Å; L43-W64 HydrophobicContact CD1-CZ3 4.47Å; L43-W64 HydrophobicContact CD2-CD2 4.46Å; L43-W64 HydrophobicContact CD2-CH2 3.49Å; L43-W64 VanDerWaalsContact CD2-CH2 3.49Å; L43-W64 HydrophobicContact CD2-CZ2 3.32Å; L43-W64 HydrophobicContact CD2-CZ3 4.12Å; L43-W64 HydrophobicContact CG-CH2 4.25Å; L43-W64 HydrophobicContact CG-CZ2 4.4Å; L43-M67 HydrophobicContact CD2-CE 4.08Å; L43-M67 HydrophobicContact CD2-SD 4.33Å; L43-M67 HydrophobicContact CG-CE 4.38Å
44L95.3Very high95.7Very high63 Ų6365.3 Ų65.333%0.3334%0.336SS..Hα-helixtrans-88.2-27.4179.1-67.3177.7000112.9V40 L41 D42 P46 R47 L48 I51V40-L44 HydrophobicContact CG1-CD1 3.76Å; V40-L44 HydrophobicContact CG1-CG 4.3Å; V40-L44 WeakPolarHBondContact O-CB 3.22Å; V40-L44 VanDerWaalsContact O-CG 3.26Å; V40-L44 WeakPolarHBondContact O-CG 3.34Å; V40-L44 PolarHBondContact O-N 3.01Å; L41-L44 PolarHBondContact O-N 3.41Å; D42-L44 VanDerWaalsContact C-N 3.35Å; L44-P46 VanDerWaalsContact C-N 3.34Å; L44-R47 PolarHBondContact O-N 3.29Å; L44-L48 HydrophobicContact CB-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CD1 4.45Å; L44-L48 PolarHBondContact O-N 3.47Å; L44-I51 HydrophobicContact CB-CD1 3.57Å; L44-I51 HydrophobicContact CD1-CD1 4.25Å
45S94.4Very high95.5Very high20 Ų2063.5 Ų63.514%0.1433%0.327CS..THydrogen-bonded Turntrans-54.4-34.2-175.273.90000115.5L41 D42 R47L41-S45 VanDerWaalsContact O-CB 3.32Å; L41-S45 WeakPolarHBondContact O-CB 3.44Å; L41-S45 PolarHBondContact O-N 3Å; D42-S45 PolarHBondContact O-OG 3.2Å; S45-R47 VanDerWaalsContact C-N 3.27Å; S45-R47 PolarHBondContact O-N 3.44Å
46P91.4Very high95.4Very high90 Ų9065.8 Ų65.858%0.58434%0.339SS*.THydrogen-bonded Turntrans-72.7-20.9176.5-18.334.5000113.1D42 L44D42-P46 WeakPolarHBondContact O-CD 3.35Å; L44-P46 VanDerWaalsContact C-N 3.34Å
47R92.7Very high95.2Very high200 Ų20062.3 Ų62.376%0.75532%0.32SS*.THydrogen-bonded Turntrans-99-29.9-177.7-61-174.2-179.2122.4-3.7112.6L44 S45L44-R47 PolarHBondContact O-N 3.29Å; S45-R47 VanDerWaalsContact C-N 3.27Å; S45-R47 PolarHBondContact O-N 3.44Å
48L94.6Very high94.9Very high64 Ų6462.9 Ų62.934%0.33532%0.316SS..  trans-115.998.8-174-60.3-176.7000110.4L44 W50 I51L44-L48 HydrophobicContact CB-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CD1 4.45Å; L44-L48 PolarHBondContact O-N 3.47Å; L48-W50 HydrophobicContact CD1-CZ2 4.44Å; L48-W50 PolarHBondContact O-N 3.14Å; L48-W50 VanDerWaalsContact O-N 3.12Å; L48-I51 HydrophobicContact CB-CD1 3.95Å; L48-I51 HydrophobicContact CB-CG1 4.08Å; L48-I51 HydrophobicContact CD1-CD1 3.79Å; L48-I51 HydrophobicContact CG-CD1 4.44Å; L48-I51 PolarHBondContact O-N 2.91Å
49A92.4Very high94.4Very high81 Ų8172.1 Ų72.167%0.66936%0.356SS*.Hα-helixtrans-56.8-31.5-175.900000113.9I51 R52 T53A49-I51 VanDerWaalsContact C-N 3.32Å; A49-I51 PolarHBondContact O-N 3.29Å; A49-R52 WeakPolarHBondContact O-CB 3.48Å; A49-R52 PolarHBondContact O-N 2.92Å; A49-T53 PolarHBondContact O-N 3.45Å
50W94.4Very high94Very high147 Ų14772.3 Ų72.356%0.55736%0.359SS*.Hα-helixtrans-68.6-26.517872.5-96000113.2L48 R52 T53 F54L48-W50 HydrophobicContact CD1-CZ2 4.44Å; L48-W50 PolarHBondContact O-N 3.14Å; L48-W50 VanDerWaalsContact O-N 3.12Å; W50-R52 VanDerWaalsContact C-N 3.32Å; W50-T53 PolarHBondContact O-OG1 2.96Å; W50-F54 HydrophobicContact CE3-CD2 4.32Å; W50-F54 AromaticContact CE3-CE2 3.72Å; W50-F54 HydrophobicContact CE3-CE2 3.72Å; W50-F54 HydrophobicContact CZ3-CD2 4.37Å; W50-F54 AromaticContact CZ3-CE2 3.82Å; W50-F54 HydrophobicContact CZ3-CE2 3.82Å; W50-F54 WeakPolarHBondContact O-CD2 3.33Å
51I94.1Very high93.5Very high3 Ų375.3 Ų75.32%0.01537%0.368CS..Hα-helixtrans-70.4-38173.8-66.4-179.9000109.5L41 L44 L48 A49 T53 F54 Y201L41-I51 HydrophobicContact CB-CG2 4.28Å; L41-I51 HydrophobicContact CD2-CD1 4.03Å; L41-I51 HydrophobicContact CD2-CG1 4.46Å; L41-I51 HydrophobicContact CD2-CG2 4.18Å; L44-I51 HydrophobicContact CB-CD1 3.57Å; L44-I51 HydrophobicContact CD1-CD1 4.25Å; L48-I51 HydrophobicContact CB-CD1 3.95Å; L48-I51 HydrophobicContact CB-CG1 4.08Å; L48-I51 HydrophobicContact CD1-CD1 3.79Å; L48-I51 HydrophobicContact CG-CD1 4.44Å; L48-I51 PolarHBondContact O-N 2.91Å; A49-I51 VanDerWaalsContact C-N 3.32Å; A49-I51 PolarHBondContact O-N 3.29Å; I51-T53 PolarHBondContact O-N 3.04Å; I51-F54 WeakPolarHBondContact O-CB 3.35Å; I51-F54 PolarHBondContact O-N 3.15Å; I51-Y201 HydrophobicContact CG2-CE1 3.81Å
52R92.6Very high93.4Very high129 Ų12974.6 Ų74.649%0.48737%0.365SS..Hα-helixtrans-63.5-27.3-179.7-170178.9176.7-174.30.9112.6A49 W50 F54 K55 Q58A49-R52 WeakPolarHBondContact O-CB 3.48Å; A49-R52 PolarHBondContact O-N 2.92Å; W50-R52 VanDerWaalsContact C-N 3.32Å; R52-F54 PolarHBondContact O-N 3.28Å; R52-K55 WeakPolarHBondContact O-CB 3.19Å; R52-K55 PolarHBondContact O-N 3.31Å; R52-Q58 PolarHBondContact NE-O 3.46Å; R52-Q58 PolarHBondContact NH2-O 3.01Å; R52-Q58 PolarHBondContact O-NE2 3.08Å; R52-Q58 PolarHBondContact O-OE1 3.48Å
53T94.6Very high93.3Very high97 Ų9775.9 Ų75.960%0.59537%0.374SS*.THydrogen-bonded Turntrans-64.1-21.1175.663.80000112.8A49 W50 I51A49-T53 PolarHBondContact O-N 3.45Å; W50-T53 PolarHBondContact O-OG1 2.96Å; I51-T53 PolarHBondContact O-N 3.04Å
54F96.1Very high93.3Very high49 Ų4981.8 Ų81.822%0.21539%0.393CS..THydrogen-bonded Turntrans-89.8-7.8174.9-58-59.9000113.6W50 I51 R52 I56 Y201 D202 L203 P204W50-F54 HydrophobicContact CE3-CD2 4.32Å; W50-F54 AromaticContact CE3-CE2 3.72Å; W50-F54 HydrophobicContact CE3-CE2 3.72Å; W50-F54 HydrophobicContact CZ3-CD2 4.37Å; W50-F54 AromaticContact CZ3-CE2 3.82Å; W50-F54 HydrophobicContact CZ3-CE2 3.82Å; W50-F54 WeakPolarHBondContact O-CD2 3.33Å; I51-F54 WeakPolarHBondContact O-CB 3.35Å; I51-F54 PolarHBondContact O-N 3.15Å; R52-F54 PolarHBondContact O-N 3.28Å; F54-I56 PolarHBondContact O-N 2.94Å; F54-Y201 HydrophobicContact CB-CD1 4.11Å; F54-Y201 CarbonylContact O-C 3.52Å; F54-Y201 VanDerWaalsContact O-CA 3.29Å; F54-Y201 WeakPolarHBondContact O-CA 3.33Å; F54-D202 PolarHBondContact O-N 2.88Å; F54-L203 HydrophobicContact CB-CD2 3.85Å; F54-L203 HydrophobicContact CD1-CD2 4.49Å; F54-L203 HydrophobicContact CD2-CD2 4.04Å; F54-L203 HydrophobicContact CG-CD2 3.89Å; F54-P204 HydrophobicContact CD1-CG 4.45Å; F54-P204 HydrophobicContact CE1-CG 3.66Å; F54-P204 HydrophobicContact CZ-CG 4.07Å
55K96.3Very high93.3Very high13 Ų1384 Ų846%0.05741%0.409CS..BIsolated β-bridgetrans-65.4132175.4-82.3-65.6-158.6-175.50110.3D42 R52 Q58 G200 Y201D42-K55 WeakPolarHBondContact OD1-CE 3.25Å; D42-K55 IonicContact OD1-NZ 2.64Å; D42-K55 PolarHBondContact OD1-NZ 3.19Å; R52-K55 WeakPolarHBondContact O-CB 3.19Å; R52-K55 PolarHBondContact O-N 3.31Å; K55-Q58 PolarHBondContact O-NE2 2.83Å; K55-G200 VanDerWaalsContact CD-O 3.3Å; K55-G200 WeakPolarHBondContact CD-O 3.44Å; K55-Y201 HydrophobicContact CD-CD1 3.91Å; K55-Y201 HydrophobicContact CD-CE1 3.51Å; K55-Y201 HydrophobicContact CD-CE2 4.28Å; K55-Y201 HydrophobicContact CD-CG 4.45Å; K55-Y201 WeakPolarHBondContact CE-OH 3.36Å; K55-Y201 HydrophobicContact CG-CD1 4.25Å; K55-Y201 HydrophobicContact CG-CE1 3.81Å; K55-Y201 PolarHBondContact NZ-OH 2.8Å
56I96Very high93.4Very high50 Ų5085.5 Ų85.526%0.25642%0.415SS..SBendtrans-66.4-51.8175.4-62.6164.9000109.3F54 G200 D202 A219 P220 D223F54-I56 PolarHBondContact O-N 2.94Å; I56-G200 PolarHBondContact N-O 2.55Å; I56-G200 VanDerWaalsContact N-O 3.1Å; I56-D202 HydrophobicContact CG1-CB 3.97Å; I56-A219 HydrophobicContact CD1-CB 3.68Å; I56-P220 HydrophobicContact CD1-CG 4.36Å; I56-D223 HydrophobicContact CD1-CB 4.06Å; I56-D223 HydrophobicContact CG2-CB 4.06Å; I56-D223 WeakPolarHBondContact CG2-OD1 3.21Å
57Q94.9Very high93.7Very high33 Ų3381.5 Ų81.515%0.15439%0.388CS..SBendtrans-96.7100.7175.3-57.6-171.821.900111.2K59 S60 T147 T148 D223Q57-K59 PolarHBondContact O-N 3.43Å; Q57-K59 VanDerWaalsContact O-N 3.12Å; Q57-S60 VanDerWaalsContact O-CB 3.27Å; Q57-S60 WeakPolarHBondContact O-CB 3.17Å; Q57-S60 PolarHBondContact O-N 2.82Å; Q57-S60 PolarHBondContact O-OG 2.85Å; Q57-T147 PolarHBondContact NE2-O 2.85Å; Q57-T148 HydrophobicContact CB-CG2 4.27Å; Q57-T148 HydrophobicContact CG-CG2 4.45Å; Q57-T148 PolarHBondContact OE1-OG1 3.34Å; Q57-D223 WeakPolarHBondContact CG-OD1 3.42Å; Q57-D223 VanDerWaalsContact NE2-CG 3.27Å; Q57-D223 PolarHBondContact NE2-OD1 3.26Å; Q57-D223 PolarHBondContact NE2-OD2 3.48Å; Q57-D223 VanDerWaalsContact NE2-OD2 3.13Å
58Q91.3Very high93.9Very high86 Ų8681 Ų8140%0.40239%0.386SS..THydrogen-bonded Turntrans-62.3-22.2-172.4-72.2-63.3-41.100116.2R52 K55R52-Q58 PolarHBondContact NE-O 3.46Å; R52-Q58 PolarHBondContact NH2-O 3.01Å; R52-Q58 PolarHBondContact O-NE2 3.08Å; R52-Q58 PolarHBondContact O-OE1 3.48Å; K55-Q58 PolarHBondContact O-NE2 2.83Å
59K87.9Confident94Very high202 Ų20280.2 Ų80.288%0.87839%0.387SS*.THydrogen-bonded Turntrans-97.60.4178.7-64.8-177.8-179.1177.10113Q57Q57-K59 PolarHBondContact O-N 3.43Å; Q57-K59 VanDerWaalsContact O-N 3.12Å
60S88Confident94.3Very high28 Ų2876.4 Ų76.420%0.19636%0.355CS..  trans-71.7150.8-179.565.50000112.4Q57Q57-S60 VanDerWaalsContact O-CB 3.27Å; Q57-S60 WeakPolarHBondContact O-CB 3.17Å; Q57-S60 PolarHBondContact O-N 2.82Å; Q57-S60 PolarHBondContact O-OG 2.85Å
61H88.9Confident94.4Very high129 Ų12972.3 Ų72.360%0.59734%0.343SS*.  trans-143.4122.8174.2176-82.8000109.2
62V93.8Very high94.6Very high18 Ų1874.2 Ų74.211%0.10936%0.36CS..  trans-92.6114176.6-174.20000108.2D42 M67 F150D42-V62 HydrophobicContact CB-CB 4.27Å; D42-V62 HydrophobicContact CB-CG2 4.47Å; V62-M67 HydrophobicContact CB-CE 4.18Å; V62-M67 HydrophobicContact CG1-CE 3.52Å; V62-M67 HydrophobicContact CG1-CG 3.79Å; V62-M67 HydrophobicContact CG1-SD 4.49Å; V62-F150 HydrophobicContact CB-CG 4.42Å; V62-F150 HydrophobicContact CG1-CB 4.38Å; V62-F150 HydrophobicContact CG1-CD1 4.07Å; V62-F150 HydrophobicContact CG1-CD2 3.48Å; V62-F150 VanDerWaalsContact CG1-CD2 3.48Å; V62-F150 HydrophobicContact CG1-CE1 4.21Å; V62-F150 HydrophobicContact CG1-CE2 3.61Å; V62-F150 HydrophobicContact CG1-CG 3.72Å; V62-F150 HydrophobicContact CG1-CZ 4.02Å; V62-F150 HydrophobicContact CG2-CB 3.62Å; V62-F150 HydrophobicContact CG2-CD1 4.04Å; V62-F150 HydrophobicContact CG2-CD2 4.3Å; V62-F150 HydrophobicContact CG2-CG 3.75Å
63S94.3Very high94.9Very high32 Ų3270.3 Ų70.322%0.22435%0.347CS..  trans-90.6157.117971.10000112.3T65 M66 M67S63-T65 PolarHBondContact O-N 3.12Å; S63-M66 WeakPolarHBondContact O-CB 3.11Å; S63-M66 PolarHBondContact O-N 3.12Å; S63-M66 VanDerWaalsContact O-N 3.08Å; S63-M66 VanDerWaalsContact OG-CG 3.26Å; S63-M66 WeakPolarHBondContact OG-CG 3.31Å; S63-M66 PolarHBondContact OG-N 2.81Å; S63-M66 PolarHBondContact OG-SD 3.43Å; S63-M66 VanDerWaalsContact OG-SD 3.42Å; S63-M67 PolarHBondContact O-N 3.38Å
64W94.8Very high95Very high183 Ų18365.8 Ų65.869%0.69332%0.319SS*.Hα-helixtrans-54.8-37.8171.9-73111.2000113L43 M66 M67 W68L43-W64 HydrophobicContact CD1-CH2 3.71Å; L43-W64 HydrophobicContact CD1-CZ2 4.22Å; L43-W64 HydrophobicContact CD1-CZ3 4.47Å; L43-W64 HydrophobicContact CD2-CD2 4.46Å; L43-W64 HydrophobicContact CD2-CH2 3.49Å; L43-W64 VanDerWaalsContact CD2-CH2 3.49Å; L43-W64 HydrophobicContact CD2-CZ2 3.32Å; L43-W64 HydrophobicContact CD2-CZ3 4.12Å; L43-W64 HydrophobicContact CG-CH2 4.25Å; L43-W64 HydrophobicContact CG-CZ2 4.4Å; W64-M66 VanDerWaalsContact C-N 3.34Å; W64-M66 PolarHBondContact O-N 2.75Å; W64-M67 HydrophobicContact CE3-SD 4.13Å; W64-M67 HydrophobicContact CZ3-SD 4.32Å; W64-M67 PolarHBondContact O-N 3.02Å; W64-W68 WeakPolarHBondContact O-CB 3.26Å; W64-W68 PolarHBondContact O-N 3.19Å
65T95.9Very high95.1Very high110 Ų11067.9 Ų67.968%0.67533%0.332SS*.Hα-helixtrans-62.8-41.4177.3-50.20000111.7S63 S69S63-T65 PolarHBondContact O-N 3.12Å; T65-S69 WeakPolarHBondContact O-CB 3.43Å; T65-S69 PolarHBondContact O-N 3.29Å
66M96.3Very high95.2Very high52 Ų5273.1 Ų73.126%0.25635%0.353SS..Hα-helixtrans-65.8-45.7176.4-66.616172.900111.1S63 W64 W68 S69 C70 F150S63-M66 WeakPolarHBondContact O-CB 3.11Å; S63-M66 PolarHBondContact O-N 3.12Å; S63-M66 VanDerWaalsContact O-N 3.08Å; S63-M66 VanDerWaalsContact OG-CG 3.26Å; S63-M66 WeakPolarHBondContact OG-CG 3.31Å; S63-M66 PolarHBondContact OG-N 2.81Å; S63-M66 PolarHBondContact OG-SD 3.43Å; S63-M66 VanDerWaalsContact OG-SD 3.42Å; W64-M66 VanDerWaalsContact C-N 3.34Å; W64-M66 PolarHBondContact O-N 2.75Å; M66-W68 PolarHBondContact O-N 3.32Å; M66-S69 PolarHBondContact O-N 2.85Å; M66-C70 PolarHBondContact O-N 2.83Å; M66-C70 PolarHBondContact O-SG 3.32Å; M66-F150 HydrophobicContact CB-CE1 4.23Å; M66-F150 HydrophobicContact CB-CZ 3.88Å; M66-F150 HydrophobicContact CE-CD1 4.33Å; M66-F150 HydrophobicContact CE-CE1 3.74Å; M66-F150 HydrophobicContact CE-CZ 4.5Å
67M97.1Very high95.3Very high6 Ų670.9 Ų70.93%0.0334%0.341CS..Hα-helixtrans-58.9-48.9177-65.3-179.3175.900111.3V39 D42 L43 V62 S63 W64 S69 C70 L71 F150 L152V39-M67 HydrophobicContact CG1-CE 4.28Å; V39-M67 HydrophobicContact CG1-SD 4.2Å; D42-M67 HydrophobicContact CB-CE 3.64Å; L43-M67 HydrophobicContact CD2-CE 4.08Å; L43-M67 HydrophobicContact CD2-SD 4.33Å; L43-M67 HydrophobicContact CG-CE 4.38Å; V62-M67 HydrophobicContact CB-CE 4.18Å; V62-M67 HydrophobicContact CG1-CE 3.52Å; V62-M67 HydrophobicContact CG1-CG 3.79Å; V62-M67 HydrophobicContact CG1-SD 4.49Å; S63-M67 PolarHBondContact O-N 3.38Å; W64-M67 HydrophobicContact CE3-SD 4.13Å; W64-M67 HydrophobicContact CZ3-SD 4.32Å; W64-M67 PolarHBondContact O-N 3.02Å; M67-S69 PolarHBondContact O-N 3.03Å; M67-C70 PolarHBondContact O-N 3.25Å; M67-L71 WeakPolarHBondContact O-CG 3.41Å; M67-L71 PolarHBondContact O-N 3.44Å; M67-F150 HydrophobicContact CG-CE2 4.14Å; M67-L152 HydrophobicContact CB-CD1 3.84Å; M67-L152 HydrophobicContact CG-CD1 4.04Å
68W97.6Very high95.4Very high188 Ų18869.6 Ų69.671%0.71234%0.335SS*.Hα-helixtrans-63-42.3178.6-176.3-105.4000112.2W64 M66 C70 L71 A72W64-W68 WeakPolarHBondContact O-CB 3.26Å; W64-W68 PolarHBondContact O-N 3.19Å; M66-W68 PolarHBondContact O-N 3.32Å; W68-C70 VanDerWaalsContact C-N 3.29Å; W68-C70 PolarHBondContact O-N 2.75Å; W68-L71 PolarHBondContact O-N 2.98Å; W68-A72 VanDerWaalsContact O-CB 3.28Å; W68-A72 WeakPolarHBondContact O-CB 3.27Å; W68-A72 PolarHBondContact O-N 2.88Å
69S97.4Very high95.7Very high49 Ų4969.6 Ų69.634%0.34334%0.341SS..Hα-helixtrans-61.2-39.7176.4-173.20000111.7T65 M66 M67 H73T65-S69 WeakPolarHBondContact O-CB 3.43Å; T65-S69 PolarHBondContact O-N 3.29Å; M66-S69 PolarHBondContact O-N 2.85Å; M67-S69 PolarHBondContact O-N 3.03Å; S69-H73 WeakPolarHBondContact O-CB 3.48Å; S69-H73 PolarHBondContact O-N 3.28Å
70C97.8Very high96.2Very high0 Ų062.9 Ų62.90%032%0.317CS..Hα-helixtrans-68.2-44.3177.5-65.40000112.3M66 M67 W68 H73 S74 L152 Y156M66-C70 PolarHBondContact O-N 2.83Å; M66-C70 PolarHBondContact O-SG 3.32Å; M67-C70 PolarHBondContact O-N 3.25Å; W68-C70 VanDerWaalsContact C-N 3.29Å; W68-C70 PolarHBondContact O-N 2.75Å; C70-H73 PolarHBondContact O-N 3.28Å; C70-S74 WeakPolarHBondContact O-CB 2.97Å; C70-S74 PolarHBondContact O-N 3.4Å; C70-L152 HydrophobicContact CB-CB 3.69Å; C70-L152 WeakPolarHBondContact CB-O 3.44Å; C70-Y156 HydrophobicContact CB-CD2 4.26Å
71L97.9Very high96.6Very high61 Ų6164.5 Ų64.532%0.31932%0.32SS..Hα-helixtrans-62.5-46.9177-71.9169.1000112L32 M67 W68 H73 S74 L75 L152L32-L71 HydrophobicContact CD2-CD2 3.56Å; M67-L71 WeakPolarHBondContact O-CG 3.41Å; M67-L71 PolarHBondContact O-N 3.44Å; W68-L71 PolarHBondContact O-N 2.98Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 3.33Å; L71-S74 PolarHBondContact O-N 3.49Å; L71-L75 WeakPolarHBondContact O-CB 3.34Å; L71-L75 PolarHBondContact O-N 3.28Å; L71-L152 HydrophobicContact CD1-CD1 4.4Å; L71-L152 HydrophobicContact CD2-CD1 4.38Å; L71-L152 HydrophobicContact CD2-CD2 3.69Å; L71-L152 HydrophobicContact CG-CD1 4.07Å; L71-L152 HydrophobicContact CG-CD2 4.24Å
72A98.1Very high96.9Very high44 Ų4459.7 Ų59.736%0.36430%0.299SS..Hα-helixtrans-63.1-39.5178.800000111.6W68 Y76W68-A72 VanDerWaalsContact O-CB 3.28Å; W68-A72 WeakPolarHBondContact O-CB 3.27Å; W68-A72 PolarHBondContact O-N 2.88Å; A72-Y76 WeakPolarHBondContact O-CB 3.22Å; A72-Y76 PolarHBondContact O-N 3.02Å
73H98Very high97Very high46 Ų4661.6 Ų61.621%0.21331%0.306CS..Hα-helixtrans-68.9-45178.1-167.986.8000112.6S69 C70 L71 L75 Y76 N77 Y156 S157S69-H73 WeakPolarHBondContact O-CB 3.48Å; S69-H73 PolarHBondContact O-N 3.28Å; C70-H73 PolarHBondContact O-N 3.28Å; L71-H73 VanDerWaalsContact C-N 3.31Å; L71-H73 PolarHBondContact O-N 3.33Å; H73-L75 PolarHBondContact O-N 3.42Å; H73-Y76 WeakPolarHBondContact O-CB 3.34Å; H73-Y76 PolarHBondContact O-N 3.07Å; H73-N77 PolarHBondContact NE2-ND2 3.45Å; H73-N77 PolarHBondContact O-N 2.84Å; H73-Y156 HydrophobicContact CB-CD2 3.75Å; H73-Y156 HydrophobicContact CB-CE2 3.76Å; H73-Y156 AromaticContact CG-CD2 3.88Å; H73-Y156 AromaticContact CG-CE2 3.88Å; H73-S157 PolarHBondContact NE2-O 3.27Å
74S97.3Very high97.1Very high2 Ų263.2 Ų63.21%0.01432%0.315CS..Hα-helixtrans-59-45.9173.41620000111.3C70 L71 Y76 N77 H78 E155C70-S74 WeakPolarHBondContact O-CB 2.97Å; C70-S74 PolarHBondContact O-N 3.4Å; L71-S74 PolarHBondContact O-N 3.49Å; S74-Y76 PolarHBondContact O-N 2.89Å; S74-N77 PolarHBondContact O-N 3.18Å; S74-H78 PolarHBondContact O-N 3.35Å; S74-H78 PolarHBondContact O-ND1 3.27Å; S74-E155 WeakPolarHBondContact CB-OE2 3.1Å; S74-E155 PolarHBondContact OG-OE2 3.41Å
75L97.9Very high97.1Very high93 Ų9358.5 Ų58.549%0.48730%0.304SS..Hα-helixtrans-62.6-43176.7-178.562.2000112L28 L71 H73 H78 V79L28-L75 HydrophobicContact CD2-CD1 4.35Å; L71-L75 WeakPolarHBondContact O-CB 3.34Å; L71-L75 PolarHBondContact O-N 3.28Å; H73-L75 PolarHBondContact O-N 3.42Å; L75-H78 PolarHBondContact O-N 3.04Å; L75-V79 HydrophobicContact CD1-CG2 4Å; L75-V79 HydrophobicContact CG-CG2 4.38Å; L75-V79 WeakPolarHBondContact O-CB 3.47Å; L75-V79 WeakPolarHBondContact O-CG2 3.35Å; L75-V79 PolarHBondContact O-N 2.79Å
76Y98.1Very high96.9Very high123 Ų12354.6 Ų54.648%0.48228%0.279SS..Hα-helixtrans-58.3-48.3174.7173.7-97.5000111.2A72 H73 S74 H78 V79 V80 F81A72-Y76 WeakPolarHBondContact O-CB 3.22Å; A72-Y76 PolarHBondContact O-N 3.02Å; H73-Y76 WeakPolarHBondContact O-CB 3.34Å; H73-Y76 PolarHBondContact O-N 3.07Å; S74-Y76 PolarHBondContact O-N 2.89Å; Y76-H78 VanDerWaalsContact C-N 3.31Å; Y76-H78 PolarHBondContact O-N 3.08Å; Y76-V79 PolarHBondContact O-N 2.78Å; Y76-V80 HydrophobicContact CD2-CG2 3.72Å; Y76-V80 HydrophobicContact CE2-CB 4.23Å; Y76-V80 HydrophobicContact CE2-CG1 4.45Å; Y76-V80 HydrophobicContact CE2-CG2 3.54Å; Y76-V80 HydrophobicContact CG-CG2 4.38Å; Y76-V80 VanDerWaalsContact O-CB 3.32Å; Y76-V80 WeakPolarHBondContact O-CB 3.21Å; Y76-V80 WeakPolarHBondContact O-CG2 3.43Å; Y76-V80 PolarHBondContact O-N 2.86Å; Y76-F81 HydrophobicContact CD1-CE2 4.26Å; Y76-F81 AromaticContact CE1-CE2 3.63Å; Y76-F81 HydrophobicContact CE1-CE2 3.63Å; Y76-F81 HydrophobicContact CE1-CZ 4.18Å
77N97.4Very high96.8Very high4 Ų454.6 Ų54.62%0.02128%0.282CS..Hα-helixtrans-61.2-41.1178.6-80.7-11.7000112.2H73 S74 F81 L82 S157 T162H73-N77 PolarHBondContact NE2-ND2 3.45Å; H73-N77 PolarHBondContact O-N 2.84Å; S74-N77 PolarHBondContact O-N 3.18Å; N77-F81 HydrophobicContact CB-CD2 4.48Å; N77-F81 WeakPolarHBondContact O-CB 3.29Å; N77-F81 PolarHBondContact O-N 3.29Å; N77-L82 PolarHBondContact O-N 3.35Å; N77-L82 VanDerWaalsContact O-N 3.09Å; N77-S157 PolarHBondContact ND2-O 3.22Å; N77-T162 PolarHBondContact ND2-OG1 3.46Å
78H97.4Very high96.6Very high6 Ų659.3 Ų59.33%0.02831%0.307CS..Iπ-helixtrans-63.5-46.7177.1-81.973.5000112.2V24 S27 S74 L75 Y76 F83 E155V24-H78 HydrophobicContact CG2-CB 4.03Å; S27-H78 PolarHBondContact OG-NE2 2.96Å; S74-H78 PolarHBondContact O-N 3.35Å; S74-H78 PolarHBondContact O-ND1 3.27Å; L75-H78 PolarHBondContact O-N 3.04Å; Y76-H78 VanDerWaalsContact C-N 3.31Å; Y76-H78 PolarHBondContact O-N 3.08Å; H78-F83 VanDerWaalsContact O-CB 3.25Å; H78-F83 WeakPolarHBondContact O-CB 3.46Å; H78-F83 PolarHBondContact O-N 3.04Å; H78-E155 IonicContact CE1-OE1 3.4Å; H78-E155 IonicContact CE1-OE2 3.33Å; H78-E155 PolarHBondContact CE1-OE2 2.88Å; H78-E155 IonicContact ND1-OE2 3.56Å
79V97.5Very high96.2Very high85 Ų8555.3 Ų55.352%0.51530%0.296SS..Iπ-helixtrans-73.7-40.8-176.9172.20000112.3L75 Y76 P84L75-V79 HydrophobicContact CD1-CG2 4Å; L75-V79 HydrophobicContact CG-CG2 4.38Å; L75-V79 WeakPolarHBondContact O-CB 3.47Å; L75-V79 WeakPolarHBondContact O-CG2 3.35Å; L75-V79 PolarHBondContact O-N 2.79Å; Y76-V79 PolarHBondContact O-N 2.78Å; V79-P84 WeakPolarHBondContact O-CD 3.4Å
80V98Very high95.9Very high62 Ų6257.9 Ų57.938%0.37630%0.298SS..Iπ-helixtrans-91.4-31.5-169.5178.40000112.9Y76 P84Y76-V80 HydrophobicContact CD2-CG2 3.72Å; Y76-V80 HydrophobicContact CE2-CB 4.23Å; Y76-V80 HydrophobicContact CE2-CG1 4.45Å; Y76-V80 HydrophobicContact CE2-CG2 3.54Å; Y76-V80 HydrophobicContact CG-CG2 4.38Å; Y76-V80 VanDerWaalsContact O-CB 3.32Å; Y76-V80 WeakPolarHBondContact O-CB 3.21Å; Y76-V80 WeakPolarHBondContact O-CG2 3.43Å; Y76-V80 PolarHBondContact O-N 2.86Å; V80-P84 WeakPolarHBondContact O-CG 3.38Å
81F96.8Very high95.5Very high61 Ų6166.7 Ų66.727%0.26833%0.333SS..Iπ-helixtrans-114.3-54.9-176.6-55.1-69.2000112.5Y76 N77 L85 A159 L163Y76-F81 HydrophobicContact CD1-CE2 4.26Å; Y76-F81 AromaticContact CE1-CE2 3.63Å; Y76-F81 HydrophobicContact CE1-CE2 3.63Å; Y76-F81 HydrophobicContact CE1-CZ 4.18Å; N77-F81 HydrophobicContact CB-CD2 4.48Å; N77-F81 WeakPolarHBondContact O-CB 3.29Å; N77-F81 PolarHBondContact O-N 3.29Å; F81-L85 WeakPolarHBondContact O-CB 3.44Å; F81-L85 PolarHBondContact O-N 3.33Å; F81-A159 HydrophobicContact CD1-CB 4.13Å; F81-A159 HydrophobicContact CD2-CB 3.56Å; F81-A159 HydrophobicContact CE1-CB 3.92Å; F81-A159 HydrophobicContact CE2-CB 3.35Å; F81-A159 HydrophobicContact CG-CB 3.98Å; F81-A159 HydrophobicContact CZ-CB 3.54Å; F81-L163 HydrophobicContact CB-CD2 4.31Å
82L96Very high95Very high29 Ų2974.3 Ų74.315%0.15236%0.357CS..Iπ-helixtrans-69.2-45.3-173.5-62.9178.4000112.1V24 N77 L85 T86 T162 L163V24-L82 HydrophobicContact CG2-CB 4.15Å; N77-L82 PolarHBondContact O-N 3.35Å; N77-L82 VanDerWaalsContact O-N 3.09Å; L82-L85 WeakPolarHBondContact O-CB 3.36Å; L82-L85 PolarHBondContact O-N 3.06Å; L82-T86 WeakPolarHBondContact O-CG2 3.32Å; L82-T86 PolarHBondContact O-N 3.42Å; L82-T86 PolarHBondContact O-OG1 3.26Å; L82-T162 HydrophobicContact CD1-CG2 4.11Å; L82-T162 HydrophobicContact CD2-CG2 4.01Å; L82-T162 HydrophobicContact CG-CG2 4.21Å; L82-L163 HydrophobicContact CD2-CD2 4.36Å
83F96.4Very high94.3Very high58 Ų5878.4 Ų78.425%0.25436%0.363SS..Hα-helixtrans-63.3-47.6-178.1175.6-117000113.2F21 V24 H78 L85 T86 V87F21-F83 HydrophobicContact CD1-CD2 4.33Å; F21-F83 AromaticContact CD1-CE2 3.36Å; F21-F83 HydrophobicContact CD1-CE2 3.36Å; F21-F83 AromaticContact CD1-CZ 3.68Å; F21-F83 HydrophobicContact CD1-CZ 3.68Å; F21-F83 HydrophobicContact CE1-CE1 4.31Å; F21-F83 AromaticContact CE1-CE2 3.5Å; F21-F83 HydrophobicContact CE1-CE2 3.5Å; F21-F83 VanDerWaalsContact CE1-CE2 3.5Å; F21-F83 AromaticContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CE1-CZ 3.26Å; F21-F83 HydrophobicContact CG-CE2 4.11Å; F21-F83 HydrophobicContact CZ-CE2 4.33Å; F21-F83 AromaticContact CZ-CZ 3.95Å; F21-F83 HydrophobicContact CZ-CZ 3.95Å; V24-F83 HydrophobicContact CG1-CB 4.27Å; V24-F83 HydrophobicContact CG1-CD2 3.75Å; V24-F83 HydrophobicContact CG1-CG 4.43Å; V24-F83 HydrophobicContact CG2-CB 4.21Å; H78-F83 VanDerWaalsContact O-CB 3.25Å; H78-F83 WeakPolarHBondContact O-CB 3.46Å; H78-F83 PolarHBondContact O-N 3.04Å; F83-L85 PolarHBondContact O-N 3.47Å; F83-T86 PolarHBondContact O-N 2.94Å; F83-T86 PolarHBondContact O-OG1 3.06Å; F83-V87 HydrophobicContact CD2-CG2 3.99Å; F83-V87 HydrophobicContact CE1-CG2 4.21Å; F83-V87 HydrophobicContact CE2-CG2 3.53Å; F83-V87 HydrophobicContact CZ-CG2 3.65Å; F83-V87 VanDerWaalsContact O-CG2 3.29Å; F83-V87 WeakPolarHBondContact O-CG2 3.47Å; F83-V87 PolarHBondContact O-N 2.99Å
84P96.5Very high93.3Very high65 Ų6580.5 Ų80.542%0.42238%0.381SS..Hα-helixtrans-59.3-37.1173.3-28.538.2000112.9V79 V80 V87 L88V79-P84 WeakPolarHBondContact O-CD 3.4Å; V80-P84 WeakPolarHBondContact O-CG 3.38Å; P84-V87 PolarHBondContact O-N 3.29Å; P84-L88 WeakPolarHBondContact O-CB 2.98Å; P84-L88 PolarHBondContact O-N 3.36Å
85L93.6Very high92.4Very high85 Ų8582.5 Ų82.545%0.44540%0.398SS..Hα-helixtrans-66-42.5176.6-177.864.1000111.9F81 L82 F83 L88 H89 L163F81-L85 WeakPolarHBondContact O-CB 3.44Å; F81-L85 PolarHBondContact O-N 3.33Å; L82-L85 WeakPolarHBondContact O-CB 3.36Å; L82-L85 PolarHBondContact O-N 3.06Å; F83-L85 PolarHBondContact O-N 3.47Å; L85-L88 PolarHBondContact O-N 2.91Å; L85-H89 WeakPolarHBondContact O-CB 3.36Å; L85-H89 PolarHBondContact O-N 3.29Å; L85-L163 HydrophobicContact CD2-CD2 3.79Å
86T92.1Very high91.5Very high27 Ų2783 Ų8317%0.16641%0.409CS..Hα-helixtrans-68-36.7178.161.90000111.6P20 P23 L82 F83 W90P20-T86 PolarHBondContact O-OG1 3.08Å; P23-T86 HydrophobicContact CB-CG2 3.84Å; P23-T86 HydrophobicContact CG-CG2 4.44Å; L82-T86 WeakPolarHBondContact O-CG2 3.32Å; L82-T86 PolarHBondContact O-N 3.42Å; L82-T86 PolarHBondContact O-OG1 3.26Å; F83-T86 PolarHBondContact O-N 2.94Å; F83-T86 PolarHBondContact O-OG1 3.06Å; T86-W90 WeakPolarHBondContact O-CB 3.31Å; T86-W90 PolarHBondContact O-N 3.28Å
87V93.8Very high91.1Very high52 Ų5279.4 Ų79.432%0.31540%0.396SS..Hα-helixtrans-63.4-45.2172.6172.60000111.1P20 F83 P84 W90 Y91P20-V87 HydrophobicContact CB-CG2 4.03Å; F83-V87 HydrophobicContact CD2-CG2 3.99Å; F83-V87 HydrophobicContact CE1-CG2 4.21Å; F83-V87 HydrophobicContact CE2-CG2 3.53Å; F83-V87 HydrophobicContact CZ-CG2 3.65Å; F83-V87 VanDerWaalsContact O-CG2 3.29Å; F83-V87 WeakPolarHBondContact O-CG2 3.47Å; F83-V87 PolarHBondContact O-N 2.99Å; P84-V87 PolarHBondContact O-N 3.29Å; V87-W90 PolarHBondContact O-N 3.38Å; V87-Y91 PolarHBondContact O-N 2.93Å
88L92.6Very high90.7Very high105 Ų10584 Ų8455%0.5542%0.42SS..Hα-helixtrans-62.3-46.4177.6179.163.2000111.4P84 L85 Y91 W92P84-L88 WeakPolarHBondContact O-CB 2.98Å; P84-L88 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 2.91Å; L88-Y91 PolarHBondContact O-N 3.46Å; L88-W92 PolarHBondContact O-N 3.49Å
89H89Confident90.4Very high105 Ų10586.9 Ų86.949%0.48645%0.445SS..Hα-helixtrans-61.4-45176.4178.3-93000111.4L85 Y91 W92 R93L85-H89 WeakPolarHBondContact O-CB 3.36Å; L85-H89 PolarHBondContact O-N 3.29Å; H89-Y91 VanDerWaalsContact C-N 3.31Å; H89-Y91 PolarHBondContact O-N 3Å; H89-W92 PolarHBondContact O-N 3.44Å; H89-R93 PolarHBondContact O-N 3.02Å
90W90.9Very high90.3Very high103 Ų10389.5 Ų89.539%0.3945%0.451SS..Hα-helixtrans-58.4-41.8176.717588.5000112.4M18 P20 T86 V87 R93M18-W90 PolarHBondContact O-NE1 2.88Å; P20-W90 HydrophobicContact CB-CB 3.99Å; P20-W90 HydrophobicContact CB-CD2 3.89Å; P20-W90 HydrophobicContact CB-CE3 4.25Å; P20-W90 HydrophobicContact CB-CG 3.76Å; P20-W90 HydrophobicContact CG-CD2 4.23Å; P20-W90 HydrophobicContact CG-CE3 4.47Å; T86-W90 WeakPolarHBondContact O-CB 3.31Å; T86-W90 PolarHBondContact O-N 3.28Å; V87-W90 PolarHBondContact O-N 3.38Å; W90-R93 CarbonylContact O-C 3.53Å
91Y90.4Very high90.2Very high184 Ų18487.4 Ų87.472%0.72244%0.441SS*.Hα-helixtrans-66.4-41.9177.1-176.9-97.3000112.3V87 L88 H89V87-Y91 PolarHBondContact O-N 2.93Å; L88-Y91 PolarHBondContact O-N 3.46Å; H89-Y91 VanDerWaalsContact C-N 3.31Å; H89-Y91 PolarHBondContact O-N 3Å
92W87.4Confident90.2Very high221 Ų22185.2 Ų85.284%0.83743%0.432SS*.Hα-helixtrans-75.3-36.6-178.4-168.4-79.7000112.8L88 H89L88-W92 PolarHBondContact O-N 3.49Å; H89-W92 PolarHBondContact O-N 3.44Å
93R83.3Confident90.2Very high130 Ų13086.1 Ų86.149%0.49145%0.449SS..SBendtrans-14385.7-174.5-167.8-173.8-177.3-155.92.1110.3H89 W90 A95H89-R93 PolarHBondContact O-N 3.02Å; W90-R93 CarbonylContact O-C 3.53Å; R93-A95 PolarHBondContact O-N 3.3Å
94P76.6Confident90.2Very high91 Ų9187.5 Ų87.559%0.59146%0.462SS*.  trans-55.6136.8174.2-2534.3000111
95A78.6Confident90.2Very high44 Ų4491.3 Ų91.336%0.36448%0.478SS..  trans-63.7138.9176.900000110.2R93 F97R93-A95 PolarHBondContact O-N 3.3Å; A95-F97 HydrophobicContact CB-CE2 4.04Å; A95-F97 HydrophobicContact CB-CZ 3.97Å
96S80Confident90.4Very high103 Ų10393.3 Ų93.372%0.7248%0.48SS*.  trans-127132.3168.958.40000108.4
97F88.1Confident90.7Very high48 Ų4892.7 Ų92.721%0.21148%0.475CS..  trans-111.5133.7-178.9-60.3-71.1000109.3W7 L11 N14 L17 M18 A95 P180W7-F97 HydrophobicContact CH2-CB 4.5Å; W7-F97 AromaticContact CH2-CD1 3.78Å; W7-F97 HydrophobicContact CH2-CD1 3.78Å; W7-F97 HydrophobicContact CH2-CE1 4.45Å; W7-F97 HydrophobicContact CH2-CG 4.4Å; W7-F97 HydrophobicContact CZ2-CB 4.12Å; W7-F97 HydrophobicContact CZ2-CD1 4.17Å; L11-F97 HydrophobicContact CD2-CB 3.69Å; L11-F97 HydrophobicContact CD2-CG 4.31Å; N14-F97 WeakPolarHBondContact OD1-CD2 3.36Å; L17-F97 HydrophobicContact CB-CD2 4.39Å; L17-F97 HydrophobicContact CB-CE2 3.49Å; L17-F97 VanDerWaalsContact CB-CE2 3.49Å; L17-F97 HydrophobicContact CB-CZ 3.67Å; L17-F97 HydrophobicContact CD1-CE2 4.31Å; L17-F97 HydrophobicContact CD1-CZ 4.4Å; M18-F97 HydrophobicContact CE-CD2 4.17Å; M18-F97 HydrophobicContact CG-CD2 4.3Å; M18-F97 HydrophobicContact CG-CE2 3.92Å; A95-F97 HydrophobicContact CB-CE2 4.04Å; A95-F97 HydrophobicContact CB-CZ 3.97Å; F97-P180 HydrophobicContact CD1-CB 3.65Å; F97-P180 HydrophobicContact CD1-CG 3.83Å; F97-P180 HydrophobicContact CE1-CB 3.81Å; F97-P180 HydrophobicContact CE1-CG 4.31Å
98I89.4Confident90.9Very high101 Ų10194.6 Ų94.652%0.51848%0.483SS..  trans-86.7144.8173.649.4172.9000109.8W7 H179W7-I98 PolarHBondContact NE1-O 3.44Å; I98-H179 WeakPolarHBondContact CD1-CD2 3.2Å
99A92Very high91.1Very high66 Ų6698.2 Ų98.255%0.54549%0.489SS..SBendtrans-70.7-36.7-17600000112.7Q4 W7Q4-A99 PolarHBondContact NE2-O 3.12Å; W7-A99 VanDerWaalsContact CD1-O 3.23Å; W7-A99 PolarHBondContact NE1-O 2.77Å
100E95.8Very high91.6Very high139 Ų13993.4 Ų93.465%0.6547%0.467SS*.SBendtrans-79.4128.6-178.1-64.3-62.6152.900111.2H179E100-H179 PolarHBondContact O-NE2 2.94Å
101A95.9Very high91.9Very high19 Ų1989 Ų8916%0.15745%0.452CS..PPolyproline II helixtrans-69.8156.7175.100000111.4L3 Q4 W7L3-A101 HydrophobicContact CB-CB 4.45Å; Q4-A101 HydrophobicContact CB-CB 4.34Å; W7-A101 HydrophobicContact CB-CB 3.77Å; W7-A101 HydrophobicContact CG-CB 4.05Å
102P96.1Very high92.3Very high14 Ų1483.5 Ų83.59%0.09144%0.437CS..PPolyproline II helixtrans-70.8149.317731-31.3000110.3L107 H179 L181P102-L107 HydrophobicContact CB-CB 4.36Å; P102-L107 HydrophobicContact CG-CB 4.1Å; P102-L107 HydrophobicContact CG-CD1 3.92Å; P102-H179 HydrophobicContact CB-CB 3.76Å; P102-H179 HydrophobicContact CG-CB 3.95Å; P102-L181 HydrophobicContact CG-CB 4.42Å; P102-L181 HydrophobicContact CG-CD2 4.32Å
103G96.4Very high92.8Very high49 Ų4973.9 Ų73.951%0.50541%0.405SS..PPolyproline II helixtrans-60.4142.3168.100000110.9L105 R106 L107G103-L105 PolarHBondContact O-N 3.15Å; G103-R106 WeakPolarHBondContact O-CA 3.27Å; G103-R106 WeakPolarHBondContact O-CB 3.45Å; G103-R106 PolarHBondContact O-N 3.49Å; G103-L107 PolarHBondContact O-N 2.94Å
104T96.3Very high93.5Very high86 Ų8667.7 Ų67.753%0.52838%0.382SS..Hα-helixtrans-56.6-44.9-173.6-52.20000113.3L3 R106 L107 I108L3-T104 HydrophobicContact CD1-CG2 4.26Å; L3-T104 VanDerWaalsContact CD1-OG1 3.27Å; L3-T104 WeakPolarHBondContact CD1-OG1 3.46Å; T104-R106 VanDerWaalsContact C-N 3.32Å; T104-R106 PolarHBondContact O-N 3.32Å; T104-L107 PolarHBondContact O-N 3.02Å; T104-I108 HydrophobicContact CG2-CD1 4.07Å; T104-I108 WeakPolarHBondContact O-CG1 3.47Å; T104-I108 PolarHBondContact O-N 2.8Å
105L96.8Very high94.5Very high145 Ų14564.5 Ų64.576%0.75936%0.359SS*.Hα-helixtrans-65-37.4177.9-65.7178.2000112G103 I108 W109G103-L105 PolarHBondContact O-N 3.15Å; L105-I108 PolarHBondContact O-N 3.28Å; L105-W109 VanDerWaalsContact O-CB 3.29Å; L105-W109 WeakPolarHBondContact O-CB 3.2Å; L105-W109 PolarHBondContact O-N 3Å
106R96.9Very high95.4Very high127 Ų12766.4 Ų66.448%0.47936%0.363SS..Hα-helixtrans-65.4-45.1176.4179.964.9-171.7-148.56.3110.8G103 T104 I108 W109 D110 L176G103-R106 WeakPolarHBondContact O-CA 3.27Å; G103-R106 WeakPolarHBondContact O-CB 3.45Å; G103-R106 PolarHBondContact O-N 3.49Å; T104-R106 VanDerWaalsContact C-N 3.32Å; T104-R106 PolarHBondContact O-N 3.32Å; R106-I108 PolarHBondContact O-N 2.94Å; R106-W109 PolarHBondContact O-N 3.08Å; R106-D110 IonicContact CZ-OD1 3.93Å; R106-D110 IonicContact CZ-OD2 3.53Å; R106-D110 IonicContact NE-OD1 2.91Å; R106-D110 PolarHBondContact NE-OD1 3.39Å; R106-D110 IonicContact NE-OD2 2.77Å; R106-D110 PolarHBondContact NE-OD2 3.3Å; R106-D110 IonicContact NH2-OD1 2.65Å; R106-D110 PolarHBondContact NH2-OD1 2.96Å; R106-D110 IonicContact NH2-OD2 3.32Å; R106-D110 VanDerWaalsContact O-CB 3.29Å; R106-D110 WeakPolarHBondContact O-CB 3.35Å; R106-D110 PolarHBondContact O-N 3.04Å; R106-L176 PolarHBondContact NH2-O 3.32Å
107L97.7Very high96.3Very high14 Ų1464.5 Ų64.57%0.07334%0.344CS..Hα-helixtrans-58.5-48.1175.4174.9154.7000111.6L3 P102 G103 T104 D110 V111 L181 L185L3-L107 HydrophobicContact CD1-CD1 4.24Å; L3-L107 HydrophobicContact CD2-CD1 4.21Å; P102-L107 HydrophobicContact CB-CB 4.36Å; P102-L107 HydrophobicContact CG-CB 4.1Å; P102-L107 HydrophobicContact CG-CD1 3.92Å; G103-L107 PolarHBondContact O-N 2.94Å; T104-L107 PolarHBondContact O-N 3.02Å; L107-D110 PolarHBondContact O-N 3.05Å; L107-V111 WeakPolarHBondContact O-CB 3.36Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.31Å; L107-V111 PolarHBondContact O-N 3.42Å; L107-L181 HydrophobicContact CD1-CD2 4.25Å; L107-L181 HydrophobicContact CD1-CG 4.32Å; L107-L185 HydrophobicContact CD1-CD2 4.32Å; L107-L185 HydrophobicContact CD2-CD2 3.62Å; L107-L185 HydrophobicContact CG-CD2 4.23Å
108I97.9Very high96.8Very high93 Ų9362.7 Ų62.748%0.47734%0.336SS..Hα-helixtrans-61.6-48.7178.8-67.9166.9000110.4T104 L105 R106 D110 V111 V112T104-I108 HydrophobicContact CG2-CD1 4.07Å; T104-I108 WeakPolarHBondContact O-CG1 3.47Å; T104-I108 PolarHBondContact O-N 2.8Å; L105-I108 PolarHBondContact O-N 3.28Å; R106-I108 PolarHBondContact O-N 2.94Å; I108-D110 PolarHBondContact O-N 3.34Å; I108-V111 PolarHBondContact O-N 3.15Å; I108-V112 VanDerWaalsContact O-CG2 3.32Å; I108-V112 WeakPolarHBondContact O-CG2 3.33Å; I108-V112 PolarHBondContact O-N 3.3Å
109W98.2Very high97.2Very high181 Ų18157.9 Ų57.969%0.68631%0.312SS*.Hα-helixtrans-58.8-49179.8177.4-98.7000112L105 R106 V112 A113L105-W109 VanDerWaalsContact O-CB 3.29Å; L105-W109 WeakPolarHBondContact O-CB 3.2Å; L105-W109 PolarHBondContact O-N 3Å; R106-W109 PolarHBondContact O-N 3.08Å; W109-V112 PolarHBondContact O-N 3.39Å; W109-A113 WeakPolarHBondContact O-CB 3.47Å; W109-A113 PolarHBondContact O-N 2.93Å
110D98.4Very high97.5Very high4 Ų459 Ų592%0.02130%0.304CS..Hα-helixtrans-66.3-39.7-177.5-72.2-8.6000111.7R106 L107 I108 A113 C114 T182R106-D110 IonicContact CZ-OD1 3.93Å; R106-D110 IonicContact CZ-OD2 3.53Å; R106-D110 IonicContact NE-OD1 2.91Å; R106-D110 PolarHBondContact NE-OD1 3.39Å; R106-D110 IonicContact NE-OD2 2.77Å; R106-D110 PolarHBondContact NE-OD2 3.3Å; R106-D110 IonicContact NH2-OD1 2.65Å; R106-D110 PolarHBondContact NH2-OD1 2.96Å; R106-D110 IonicContact NH2-OD2 3.32Å; R106-D110 VanDerWaalsContact O-CB 3.29Å; R106-D110 WeakPolarHBondContact O-CB 3.35Å; R106-D110 PolarHBondContact O-N 3.04Å; L107-D110 PolarHBondContact O-N 3.05Å; I108-D110 PolarHBondContact O-N 3.34Å; D110-A113 PolarHBondContact O-N 3.06Å; D110-C114 WeakPolarHBondContact O-CB 3.32Å; D110-C114 PolarHBondContact O-N 3.08Å; D110-C114 PolarHBondContact O-SG 3.45Å; D110-C114 VanDerWaalsContact O-SG 3.34Å; D110-T182 HydrophobicContact CB-CG2 3.44Å; D110-T182 VanDerWaalsContact CB-CG2 3.44Å
111V98.5Very high97.7Very high11 Ų1154.4 Ų54.47%0.06728%0.283CS..Hα-helixtrans-61-47.8173.8165.90000110.9L107 I108 A113 C114 L115 T182 L185 L189L107-V111 WeakPolarHBondContact O-CB 3.36Å; L107-V111 VanDerWaalsContact O-CG2 3.31Å; L107-V111 WeakPolarHBondContact O-CG2 3.31Å; L107-V111 PolarHBondContact O-N 3.42Å; I108-V111 PolarHBondContact O-N 3.15Å; V111-A113 VanDerWaalsContact C-N 3.33Å; V111-A113 PolarHBondContact O-N 3.45Å; V111-C114 PolarHBondContact O-N 2.96Å; V111-L115 HydrophobicContact CG1-CD1 4Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 2.8Å; V111-T182 HydrophobicContact CG2-CG2 3.79Å; V111-L185 HydrophobicContact CG2-CB 4.44Å; V111-L185 HydrophobicContact CG2-CD2 4.04Å; V111-L185 HydrophobicContact CG2-CG 4.18Å; V111-L189 HydrophobicContact CG1-CD1 3.52Å
112V97.9Very high97.8Very high67 Ų6753.9 Ų53.941%0.40628%0.278SS..Hα-helixtrans-62.4-42.5178.5170.90000110.6I108 W109 L115 L116I108-V112 VanDerWaalsContact O-CG2 3.32Å; I108-V112 WeakPolarHBondContact O-CG2 3.33Å; I108-V112 PolarHBondContact O-N 3.3Å; W109-V112 PolarHBondContact O-N 3.39Å; V112-L115 PolarHBondContact O-N 3.07Å; V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 HydrophobicContact CG1-CG 4.35Å; V112-L116 WeakPolarHBondContact O-CG 3.24Å; V112-L116 PolarHBondContact O-N 3.17Å
113A98.4Very high97.9Very high20 Ų2053.2 Ų53.217%0.16527%0.274CS..Hα-helixtrans-62.8-44.8176.900000111.9W109 D110 V111 L115 L116 L117 L176W109-A113 WeakPolarHBondContact O-CB 3.47Å; W109-A113 PolarHBondContact O-N 2.93Å; D110-A113 PolarHBondContact O-N 3.06Å; V111-A113 VanDerWaalsContact C-N 3.33Å; V111-A113 PolarHBondContact O-N 3.45Å; A113-L115 PolarHBondContact O-N 2.79Å; A113-L116 PolarHBondContact O-N 3.46Å; A113-L117 WeakPolarHBondContact O-CB 3.38Å; A113-L117 WeakPolarHBondContact O-CG 3.28Å; A113-L117 PolarHBondContact O-N 3.3Å; A113-L176 HydrophobicContact CB-CD1 3.7Å
114C98.6Very high98Very high0 Ų053.2 Ų53.20%026%0.261CS..Hα-helixtrans-59.6-44.3174.4-75.20000112D110 V111 L117 F118 F186D110-C114 WeakPolarHBondContact O-CB 3.32Å; D110-C114 PolarHBondContact O-N 3.08Å; D110-C114 PolarHBondContact O-SG 3.45Å; D110-C114 VanDerWaalsContact O-SG 3.34Å; V111-C114 PolarHBondContact O-N 2.96Å; C114-L117 PolarHBondContact O-N 2.95Å; C114-F118 VanDerWaalsContact O-CB 3.29Å; C114-F118 WeakPolarHBondContact O-CB 3.35Å; C114-F118 PolarHBondContact O-N 3.36Å; C114-F186 HydrophobicContact CB-CB 4.37Å; C114-F186 HydrophobicContact CB-CD1 4.06Å; C114-F186 HydrophobicContact CB-CD2 3.4Å; C114-F186 VanDerWaalsContact CB-CD2 3.4Å; C114-F186 HydrophobicContact CB-CE1 4.22Å; C114-F186 HydrophobicContact CB-CE2 3.6Å; C114-F186 HydrophobicContact CB-CG 3.65Å; C114-F186 HydrophobicContact CB-CZ 4.02Å
115L97.6Very high98.1Very high23 Ų2351.7 Ų51.712%0.1225%0.246CC..Hα-helixtrans-62.5-45.6177.9-76.3169.9000112V111 V112 A113 F118 D119 F186 L193 Y236V111-L115 HydrophobicContact CG1-CD1 4Å; V111-L115 WeakPolarHBondContact O-CG 3.42Å; V111-L115 PolarHBondContact O-N 2.8Å; V112-L115 PolarHBondContact O-N 3.07Å; A113-L115 PolarHBondContact O-N 2.79Å; L115-F118 PolarHBondContact O-N 3.34Å; L115-D119 VanDerWaalsContact O-CB 3.24Å; L115-D119 WeakPolarHBondContact O-CB 3.15Å; L115-D119 PolarHBondContact O-N 2.88Å; L115-F186 HydrophobicContact CD2-CD2 4.09Å; L115-F186 HydrophobicContact CD2-CE2 3.89Å; L115-F186 HydrophobicContact CG-CD2 4.05Å; L115-F186 HydrophobicContact CG-CE2 4.11Å; L115-L193 HydrophobicContact CD2-CD1 3.67Å; L115-Y236 HydrophobicContact CD2-CE2 4.5Å
116L97.7Very high98.2Very high85 Ų8545.7 Ų45.745%0.44521%0.214SC..Hα-helixtrans-66.9-38.6179.1-69.1174.8000112.3V112 A113 F120 F237V112-L116 HydrophobicContact CG1-CD1 3.93Å; V112-L116 HydrophobicContact CG1-CG 4.35Å; V112-L116 WeakPolarHBondContact O-CG 3.24Å; V112-L116 PolarHBondContact O-N 3.17Å; A113-L116 PolarHBondContact O-N 3.46Å; L116-F120 WeakPolarHBondContact O-CB 3.49Å; L116-F120 PolarHBondContact O-N 3.14Å; L116-F237 HydrophobicContact CD2-CD2 4.16Å; L116-F237 HydrophobicContact CD2-CE2 4.03Å
117L98.4Very high98.2Very high62 Ų6241 Ų4133%0.32520%0.198SC..Hα-helixtrans-65.4-44.8174.4-74.3177.2000111.6A113 C114 F120 Q121 N172 L176A113-L117 WeakPolarHBondContact O-CB 3.38Å; A113-L117 WeakPolarHBondContact O-CG 3.28Å; A113-L117 PolarHBondContact O-N 3.3Å; C114-L117 PolarHBondContact O-N 2.95Å; L117-F120 PolarHBondContact O-N 2.74Å; L117-Q121 WeakPolarHBondContact O-CB 3.27Å; L117-Q121 VanDerWaalsContact O-CG 3.24Å; L117-Q121 WeakPolarHBondContact O-CG 3.34Å; L117-Q121 PolarHBondContact O-N 3.45Å; L117-Q121 PolarHBondContact O-OE1 3.2Å; L117-N172 HydrophobicContact CB-CB 4.49Å; L117-N172 HydrophobicContact CD1-CB 4.46Å; L117-L176 HydrophobicContact CD1-CD1 3.82Å; L117-L176 HydrophobicContact CD1-CD2 4.21Å; L117-L176 HydrophobicContact CD1-CG 4.08Å
118F98.6Very high98.2Very high10 Ų1043.4 Ų43.44%0.04421%0.211CC..Hα-helixtrans-64-44.1178-178.9-91.5000111.5C114 L115 F120 Q121 S122 L165 F168 S169 N172 F186 N190 Y236C114-F118 VanDerWaalsContact O-CB 3.29Å; C114-F118 WeakPolarHBondContact O-CB 3.35Å; C114-F118 PolarHBondContact O-N 3.36Å; L115-F118 PolarHBondContact O-N 3.34Å; F118-F120 PolarHBondContact O-N 2.96Å; F118-Q121 PolarHBondContact O-N 3.4Å; F118-S122 WeakPolarHBondContact CE1-OG 3.47Å; F118-S122 VanDerWaalsContact CZ-OG 3.3Å; F118-S122 WeakPolarHBondContact CZ-OG 3.14Å; F118-S122 WeakPolarHBondContact O-CB 3.47Å; F118-S122 PolarHBondContact O-N 3.37Å; F118-S122 PolarHBondContact O-OG 3.39Å; F118-L165 HydrophobicContact CZ-CD2 4.27Å; F118-F168 HydrophobicContact CD2-CB 3.92Å; F118-F168 HydrophobicContact CE2-CB 4.06Å; F118-S169 WeakPolarHBondContact CE2-OG 3.4Å; F118-N172 PolarHBondContact N-ND2 2.88Å; F118-F186 HydrophobicContact CB-CE2 4.41Å; F118-F186 HydrophobicContact CB-CZ 4.08Å; F118-F186 HydrophobicContact CG-CZ 4.39Å; F118-N190 VanDerWaalsContact CD1-OD1 3.26Å; F118-N190 WeakPolarHBondContact CD1-OD1 3.28Å; F118-N190 WeakPolarHBondContact CE1-ND2 3.2Å; F118-N190 WeakPolarHBondContact CE1-OD1 3.43Å; F118-N190 WeakPolarHBondContact CZ-ND2 3.35Å; F118-Y236 AromaticContact CD1-CE2 3.73Å; F118-Y236 HydrophobicContact CD1-CE2 3.73Å; F118-Y236 AromaticContact CE1-CE2 3.98Å; F118-Y236 HydrophobicContact CE1-CE2 3.98Å; F118-Y236 WeakPolarHBondContact CE1-OH 3.33Å
119D98.2Very high98.2Very high0 Ų039 Ų390%019%0.188CC..Hα-helixtrans-59.5-45.1177.1-177.974.6000111.2L115 F123 P235 Y236 F237 H239 W240L115-D119 VanDerWaalsContact O-CB 3.24Å; L115-D119 WeakPolarHBondContact O-CB 3.15Å; L115-D119 PolarHBondContact O-N 2.88Å; D119-F123 WeakPolarHBondContact O-CB 3.14Å; D119-F123 PolarHBondContact O-N 3.26Å; D119-P235 HydrophobicContact CB-CG 4.47Å; D119-P235 WeakPolarHBondContact OD1-CD 3.4Å; D119-P235 WeakPolarHBondContact OD1-CG 3.35Å; D119-Y236 HydrophobicContact CB-CD2 4.21Å; D119-Y236 WeakPolarHBondContact OD1-CB 3.37Å; D119-Y236 PolarHBondContact OD1-N 3.03Å; D119-F237 HydrophobicContact CB-CD2 4.31Å; D119-F237 PolarHBondContact OD1-N 3.31Å; D119-F237 VanDerWaalsContact OD1-N 3.08Å; D119-H239 IonicContact OD2-CE1 3.12Å; D119-W240 PolarHBondContact OD2-NE1 2.73Å
120F98.4Very high98.2Very high89 Ų8932.1 Ų32.139%0.3916%0.163SC..Hα-helixtrans-63.1-51.5175.5171.5-113.4000113.1L116 L117 F118 S122 F123 I124 W240L116-F120 WeakPolarHBondContact O-CB 3.49Å; L116-F120 PolarHBondContact O-N 3.14Å; L117-F120 PolarHBondContact O-N 2.74Å; F118-F120 PolarHBondContact O-N 2.96Å; F120-S122 VanDerWaalsContact C-N 3.33Å; F120-S122 PolarHBondContact O-N 3.2Å; F120-F123 PolarHBondContact O-N 2.82Å; F120-I124 HydrophobicContact CD2-CG1 4.17Å; F120-I124 HydrophobicContact CE2-CD1 4.17Å; F120-I124 HydrophobicContact CE2-CG1 3.73Å; F120-I124 HydrophobicContact CZ-CG1 4.08Å; F120-I124 WeakPolarHBondContact O-CG1 3.39Å; F120-I124 PolarHBondContact O-N 3.41Å; F120-I124 VanDerWaalsContact O-N 3.09Å; F120-W240 HydrophobicContact CB-CZ2 3.8Å; F120-W240 HydrophobicContact CD2-CD2 4.44Å; F120-W240 AromaticContact CD2-CE2 3.92Å; F120-W240 HydrophobicContact CD2-CE3 4.45Å; F120-W240 AromaticContact CD2-CH2 3.48Å; F120-W240 HydrophobicContact CD2-CH2 3.48Å; F120-W240 VanDerWaalsContact CD2-CH2 3.48Å; F120-W240 AromaticContact CD2-CZ2 3.43Å; F120-W240 HydrophobicContact CD2-CZ2 3.43Å; F120-W240 VanDerWaalsContact CD2-CZ2 3.43Å; F120-W240 HydrophobicContact CD2-CZ3 4Å; F120-W240 AromaticContact CE2-CH2 4Å; F120-W240 HydrophobicContact CE2-CH2 4Å; F120-W240 HydrophobicContact CE2-CZ2 4.39Å; F120-W240 HydrophobicContact CE2-CZ3 4.25Å; F120-W240 HydrophobicContact CG-CH2 4.34Å; F120-W240 AromaticContact CG-CZ2 3.98Å; F120-W240 HydrophobicContact CG-CZ2 3.98Å
121Q98.6Very high98.1Very high44 Ų4438.3 Ų38.321%0.20619%0.19CC..Hα-helixtrans-60.2-46.3-179.5-72.5162.6-17.500111L117 F118 I124 W125 F168 N172L117-Q121 WeakPolarHBondContact O-CB 3.27Å; L117-Q121 VanDerWaalsContact O-CG 3.24Å; L117-Q121 WeakPolarHBondContact O-CG 3.34Å; L117-Q121 PolarHBondContact O-N 3.45Å; L117-Q121 PolarHBondContact O-OE1 3.2Å; F118-Q121 PolarHBondContact O-N 3.4Å; Q121-I124 PolarHBondContact O-N 3.1Å; Q121-W125 VanDerWaalsContact O-CB 3.27Å; Q121-W125 WeakPolarHBondContact O-CB 3.4Å; Q121-W125 PolarHBondContact O-N 3.04Å; Q121-F168 HydrophobicContact CB-CB 4.49Å; Q121-F168 HydrophobicContact CB-CD1 4.23Å; Q121-F168 HydrophobicContact CB-CD2 3.98Å; Q121-F168 HydrophobicContact CB-CE1 4.5Å; Q121-F168 HydrophobicContact CB-CE2 4.25Å; Q121-F168 HydrophobicContact CB-CG 3.99Å; Q121-N172 PolarHBondContact NE2-OD1 2.55Å; Q121-N172 PolarHBondContact OE1-ND2 3.44Å; Q121-N172 PolarHBondContact OE1-OD1 2.86Å; Q121-N172 VanDerWaalsContact OE1-OD1 3.13Å
122S98.2Very high98.1Very high7 Ų740.4 Ų40.45%0.04920%0.203CC..Hα-helixtrans-66.5-41.2179.5-630000111.5F118 F120 W125 H126F118-S122 WeakPolarHBondContact CE1-OG 3.47Å; F118-S122 VanDerWaalsContact CZ-OG 3.3Å; F118-S122 WeakPolarHBondContact CZ-OG 3.14Å; F118-S122 WeakPolarHBondContact O-CB 3.47Å; F118-S122 PolarHBondContact O-N 3.37Å; F118-S122 PolarHBondContact O-OG 3.39Å; F120-S122 VanDerWaalsContact C-N 3.33Å; F120-S122 PolarHBondContact O-N 3.2Å; S122-W125 PolarHBondContact O-N 3.42Å; S122-H126 WeakPolarHBondContact O-CB 3.31Å; S122-H126 PolarHBondContact O-N 2.94Å
123F98.6Very high98.1Very high0 Ų041.3 Ų41.30%021%0.21CC..Hα-helixtrans-57.6-51.9174.7167.2-102.6000112D119 F120 W125 H126 M127 A234 W240 F244D119-F123 WeakPolarHBondContact O-CB 3.14Å; D119-F123 PolarHBondContact O-N 3.26Å; F120-F123 PolarHBondContact O-N 2.82Å; F123-W125 VanDerWaalsContact C-N 3.32Å; F123-W125 PolarHBondContact O-N 3.31Å; F123-H126 PolarHBondContact O-N 3.35Å; F123-M127 HydrophobicContact CZ-SD 4.28Å; F123-M127 VanDerWaalsContact O-CB 3.3Å; F123-M127 WeakPolarHBondContact O-CB 3.16Å; F123-M127 PolarHBondContact O-N 3.33Å; F123-A234 HydrophobicContact CD2-CB 4.02Å; F123-W240 HydrophobicContact CB-CB 4.31Å; F123-W240 HydrophobicContact CB-CG 4.19Å; F123-W240 HydrophobicContact CD1-CB 3.63Å; F123-W240 HydrophobicContact CD1-CD2 4.16Å; F123-W240 HydrophobicContact CD1-CE3 4.43Å; F123-W240 AromaticContact CD1-CG 3.82Å; F123-W240 HydrophobicContact CD1-CG 3.82Å; F123-W240 HydrophobicContact CD2-CB 3.54Å; F123-W240 HydrophobicContact CD2-CG 4.3Å; F123-W240 HydrophobicContact CE1-CB 3.76Å; F123-W240 HydrophobicContact CE1-CG 4.32Å; F123-W240 HydrophobicContact CE2-CB 3.64Å; F123-W240 HydrophobicContact CG-CB 3.52Å; F123-W240 AromaticContact CG-CG 3.82Å; F123-W240 HydrophobicContact CG-CG 3.82Å; F123-W240 HydrophobicContact CZ-CB 3.76Å; F123-F244 HydrophobicContact CE1-CD1 4.44Å; F123-F244 AromaticContact CE1-CD2 3.59Å; F123-F244 HydrophobicContact CE1-CD2 3.59Å; F123-F244 AromaticContact CE1-CE2 3.74Å; F123-F244 HydrophobicContact CE1-CE2 3.74Å; F123-F244 AromaticContact CE1-CG 3.97Å; F123-F244 HydrophobicContact CE1-CG 3.97Å; F123-F244 HydrophobicContact CE1-CZ 4.24Å; F123-F244 HydrophobicContact CZ-CB 3.92Å; F123-F244 HydrophobicContact CZ-CD1 4.45Å; F123-F244 AromaticContact CZ-CD2 3.68Å; F123-F244 HydrophobicContact CZ-CD2 3.68Å; F123-F244 HydrophobicContact CZ-CE2 4.32Å; F123-F244 AromaticContact CZ-CG 3.76Å; F123-F244 HydrophobicContact CZ-CG 3.76Å
124I98.4Very high98Very high49 Ų4948.1 Ų48.125%0.25123%0.232SC..Hα-helixtrans-61.3-45.8-179.5-66.1-63.8000110.2F120 Q121 M127 L128 F244F120-I124 HydrophobicContact CD2-CG1 4.17Å; F120-I124 HydrophobicContact CE2-CD1 4.17Å; F120-I124 HydrophobicContact CE2-CG1 3.73Å; F120-I124 HydrophobicContact CZ-CG1 4.08Å; F120-I124 WeakPolarHBondContact O-CG1 3.39Å; F120-I124 PolarHBondContact O-N 3.41Å; F120-I124 VanDerWaalsContact O-N 3.09Å; Q121-I124 PolarHBondContact O-N 3.1Å; I124-M127 HydrophobicContact CD1-CE 4.44Å; I124-M127 PolarHBondContact O-N 3.27Å; I124-L128 HydrophobicContact CG2-CD1 4.02Å; I124-L128 WeakPolarHBondContact O-CB 3.42Å; I124-L128 VanDerWaalsContact O-CG 3.24Å; I124-L128 WeakPolarHBondContact O-CG 3.48Å; I124-L128 PolarHBondContact O-N 2.62Å; I124-F244 HydrophobicContact CD1-CZ 4.36Å
125W98.3Very high98Very high54 Ų5448.8 Ų48.821%0.20524%0.235CC..Hα-helixtrans-64.4-44.7-178.9-171.1-130.5000112.5Q121 S122 F123 L128 H129 L135 F139 S164 F168Q121-W125 VanDerWaalsContact O-CB 3.27Å; Q121-W125 WeakPolarHBondContact O-CB 3.4Å; Q121-W125 PolarHBondContact O-N 3.04Å; S122-W125 PolarHBondContact O-N 3.42Å; F123-W125 VanDerWaalsContact C-N 3.32Å; F123-W125 PolarHBondContact O-N 3.31Å; W125-L128 HydrophobicContact CE3-CD1 4.38Å; W125-L128 WeakPolarHBondContact O-CB 3.3Å; W125-L128 PolarHBondContact O-N 3.23Å; W125-H129 AromaticContact CD1-CE1 3.51Å; W125-H129 AromaticContact CD1-NE2 3.6Å; W125-H129 AromaticContact CD2-NE2 3.62Å; W125-H129 AromaticContact CE2-CD2 3.82Å; W125-H129 AromaticContact CE2-CE1 3.7Å; W125-H129 AromaticContact CE2-NE2 2.98Å; W125-H129 AromaticContact CG-NE2 3.97Å; W125-H129 AromaticContact CZ2-NE2 3.27Å; W125-H129 VanDerWaalsContact CZ2-NE2 3.27Å; W125-H129 WeakPolarHBondContact CZ2-NE2 3.32Å; W125-H129 AromaticContact NE1-CE1 3.24Å; W125-H129 PolarHBondContact NE1-CE1 3.4Å; W125-H129 AromaticContact NE1-NE2 3.02Å; W125-H129 PolarHBondContact NE1-NE2 3.38Å; W125-H129 PolarHBondContact O-CD2 3.43Å; W125-H129 PolarHBondContact O-N 3.44Å; W125-L135 HydrophobicContact CH2-CD1 4.4Å; W125-L135 HydrophobicContact CH2-CD2 3.61Å; W125-L135 HydrophobicContact CZ2-CD2 4.4Å; W125-L135 HydrophobicContact CZ3-CD1 4.11Å; W125-L135 HydrophobicContact CZ3-CD2 4.12Å; W125-F139 HydrophobicContact CH2-CE1 4.35Å; W125-F139 HydrophobicContact CH2-CZ 4.36Å; W125-F139 AromaticContact CZ2-CD1 3.66Å; W125-F139 HydrophobicContact CZ2-CD1 3.66Å; W125-F139 HydrophobicContact CZ2-CD2 4.47Å; W125-F139 AromaticContact CZ2-CE1 3.58Å; W125-F139 HydrophobicContact CZ2-CE1 3.58Å; W125-F139 HydrophobicContact CZ2-CE2 4.44Å; W125-F139 HydrophobicContact CZ2-CG 4.14Å; W125-F139 HydrophobicContact CZ2-CZ 4.02Å; W125-S164 PolarHBondContact NE1-OG 3.02Å; W125-F168 HydrophobicContact CB-CE2 3.89Å; W125-F168 HydrophobicContact CB-CZ 4.29Å; W125-F168 AromaticContact CD1-CE2 3.82Å; W125-F168 AromaticContact CG-CE2 3.92Å; W125-F168 HydrophobicContact CG-CE2 3.92Å; W125-F168 HydrophobicContact CG-CZ 4.21Å
126H98.2Very high98Very high19 Ų1950.5 Ų50.59%0.08824%0.241CC..Hα-helixtrans-65.3-44178.2-173.8-162.9000111.8S122 F123 L128 H129 H130 H140 H225 Y233S122-H126 WeakPolarHBondContact O-CB 3.31Å; S122-H126 PolarHBondContact O-N 2.94Å; F123-H126 PolarHBondContact O-N 3.35Å; H126-L128 VanDerWaalsContact C-N 3.32Å; H126-L128 PolarHBondContact O-N 3.33Å; H126-H129 WeakPolarHBondContact O-CB 3.48Å; H126-H129 PolarHBondContact O-N 3.49Å; H126-H130 AromaticContact CD2-CD2 3.49Å; H126-H130 PolarHBondContact CD2-CD2 3.48Å; H126-H130 VanDerWaalsContact CD2-CD2 3.49Å; H126-H130 AromaticContact CD2-NE2 3.53Å; H126-H130 AromaticContact NE2-CD2 3.52Å; H126-H130 AromaticContact NE2-NE2 3.15Å; H126-H130 PolarHBondContact NE2-NE2 3.25Å; H126-H130 VanDerWaalsContact NE2-NE2 3.15Å; H126-H130 PolarHBondContact O-CD2 3.35Å; H126-H130 VanDerWaalsContact O-CD2 3.28Å; H126-H130 PolarHBondContact O-N 2.94Å; H126-H140 AromaticContact CD2-CD2 3.95Å; H126-H140 AromaticContact CD2-CE1 3.53Å; H126-H140 AromaticContact CD2-NE2 3.19Å; H126-H140 PolarHBondContact CD2-NE2 3.22Å; H126-H140 AromaticContact NE2-CE1 3.42Å; H126-H140 PolarHBondContact NE2-CE1 3.36Å; H126-H140 AromaticContact NE2-NE2 2.94Å; H126-H140 PolarHBondContact NE2-NE2 3.34Å; H126-H225 AromaticContact CE1-CD2 3.57Å; H126-H225 AromaticContact CE1-CE1 3.58Å; H126-H225 AromaticContact CE1-NE2 3.3Å; H126-H225 PolarHBondContact CE1-NE2 2.97Å; H126-H225 VanDerWaalsContact CE1-NE2 3.3Å; H126-H225 AromaticContact NE2-CD2 3.67Å; H126-H225 AromaticContact NE2-CE1 3.34Å; H126-H225 PolarHBondContact NE2-CE1 2.93Å; H126-H225 VanDerWaalsContact NE2-CE1 3.34Å; H126-H225 AromaticContact NE2-NE2 2.94Å; H126-H225 PolarHBondContact NE2-NE2 3.43Å; H126-Y233 PolarHBondContact ND1-O 3.12Å
127M97.9Very high98Very high29 Ų2955.4 Ų55.414%0.14325%0.253CS..Hα-helixtrans-59-44.6172.7-177.7-170.762.600111F123 I124 H129 H130 K131 Y233 F244F123-M127 HydrophobicContact CZ-SD 4.28Å; F123-M127 VanDerWaalsContact O-CB 3.3Å; F123-M127 WeakPolarHBondContact O-CB 3.16Å; F123-M127 PolarHBondContact O-N 3.33Å; I124-M127 HydrophobicContact CD1-CE 4.44Å; I124-M127 PolarHBondContact O-N 3.27Å; M127-H129 VanDerWaalsContact C-N 3.34Å; M127-H129 PolarHBondContact O-N 2.91Å; M127-H130 PolarHBondContact O-N 3.27Å; M127-K131 HydrophobicContact CG-CG 4.1Å; M127-K131 VanDerWaalsContact O-CG 3.23Å; M127-K131 WeakPolarHBondContact O-CG 3.33Å; M127-K131 PolarHBondContact O-N 2.96Å; M127-Y233 HydrophobicContact CB-CD2 4.12Å; M127-Y233 HydrophobicContact CB-CG 4.24Å; M127-Y233 HydrophobicContact CG-CD2 3.99Å; M127-Y233 HydrophobicContact CG-CE2 4.23Å; M127-F244 HydrophobicContact CE-CD1 4.5Å; M127-F244 HydrophobicContact SD-CD1 4.15Å
128L98.1Very high97.9Very high64 Ų6454.9 Ų54.934%0.33525%0.253SS..Hα-helixtrans-62.7-38.8177.4-73.7173.7000112.4I124 W125 H126 H130 K131 V132 L135I124-L128 HydrophobicContact CG2-CD1 4.02Å; I124-L128 WeakPolarHBondContact O-CB 3.42Å; I124-L128 VanDerWaalsContact O-CG 3.24Å; I124-L128 WeakPolarHBondContact O-CG 3.48Å; I124-L128 PolarHBondContact O-N 2.62Å; W125-L128 HydrophobicContact CE3-CD1 4.38Å; W125-L128 WeakPolarHBondContact O-CB 3.3Å; W125-L128 PolarHBondContact O-N 3.23Å; H126-L128 VanDerWaalsContact C-N 3.32Å; H126-L128 PolarHBondContact O-N 3.33Å; L128-H130 PolarHBondContact O-N 3.48Å; L128-K131 PolarHBondContact O-N 2.96Å; L128-V132 WeakPolarHBondContact O-CB 3.35Å; L128-V132 PolarHBondContact O-N 3.04Å; L128-L135 HydrophobicContact CB-CD1 3.86Å
129H97.8Very high97.9Very high1 Ų155.6 Ų55.61%0.00526%0.256CS..Hα-helixtrans-51.7-46172.4-70.1171.9000111.3W125 H126 M127 Y136 F139 H140 E161W125-H129 AromaticContact CD1-CE1 3.51Å; W125-H129 AromaticContact CD1-NE2 3.6Å; W125-H129 AromaticContact CD2-NE2 3.62Å; W125-H129 AromaticContact CE2-CD2 3.82Å; W125-H129 AromaticContact CE2-CE1 3.7Å; W125-H129 AromaticContact CE2-NE2 2.98Å; W125-H129 AromaticContact CG-NE2 3.97Å; W125-H129 AromaticContact CZ2-NE2 3.27Å; W125-H129 VanDerWaalsContact CZ2-NE2 3.27Å; W125-H129 WeakPolarHBondContact CZ2-NE2 3.32Å; W125-H129 AromaticContact NE1-CE1 3.24Å; W125-H129 PolarHBondContact NE1-CE1 3.4Å; W125-H129 AromaticContact NE1-NE2 3.02Å; W125-H129 PolarHBondContact NE1-NE2 3.38Å; W125-H129 PolarHBondContact O-CD2 3.43Å; W125-H129 PolarHBondContact O-N 3.44Å; H126-H129 WeakPolarHBondContact O-CB 3.48Å; H126-H129 PolarHBondContact O-N 3.49Å; M127-H129 VanDerWaalsContact C-N 3.34Å; M127-H129 PolarHBondContact O-N 2.91Å; H129-Y136 VanDerWaalsContact O-CA 3.26Å; H129-Y136 WeakPolarHBondContact O-CA 3.26Å; H129-Y136 WeakPolarHBondContact O-CB 3.47Å; H129-Y136 PolarHBondContact O-N 2.89Å; H129-F139 VanDerWaalsContact NE2-CB 3.29Å; H129-F139 WeakPolarHBondContact NE2-CB 3.43Å; H129-F139 AromaticContact NE2-CD1 3.91Å; H129-F139 AromaticContact NE2-CG 3.62Å; H129-H140 HydrophobicContact CB-CB 3.81Å; H129-H140 AromaticContact ND1-CG 3.69Å; H129-H140 AromaticContact ND1-ND1 3.87Å; H129-E161 IonicContact CE1-OE1 3.21Å; H129-E161 IonicContact ND1-OE1 3.54Å
130H97.4Very high97.8Very high36 Ų3655.7 Ų55.717%0.16726%0.256CS..Hα-helixtrans-81.5-23.1-178.5-72.1-75.8000114.8H126 M127 L128 Y136 H140 H144 H225 F229 Y233H126-H130 AromaticContact CD2-CD2 3.49Å; H126-H130 PolarHBondContact CD2-CD2 3.48Å; H126-H130 VanDerWaalsContact CD2-CD2 3.49Å; H126-H130 AromaticContact CD2-NE2 3.53Å; H126-H130 AromaticContact NE2-CD2 3.52Å; H126-H130 AromaticContact NE2-NE2 3.15Å; H126-H130 PolarHBondContact NE2-NE2 3.25Å; H126-H130 VanDerWaalsContact NE2-NE2 3.15Å; H126-H130 PolarHBondContact O-CD2 3.35Å; H126-H130 VanDerWaalsContact O-CD2 3.28Å; H126-H130 PolarHBondContact O-N 2.94Å; M127-H130 PolarHBondContact O-N 3.27Å; L128-H130 PolarHBondContact O-N 3.48Å; H130-Y136 AromaticContact CE1-CE2 3.87Å; H130-Y136 AromaticContact ND1-CD2 3.84Å; H130-Y136 AromaticContact ND1-CE2 3.86Å; H130-H140 AromaticContact CD2-CD2 3.8Å; H130-H140 AromaticContact CD2-NE2 3.85Å; H130-H140 AromaticContact CE1-CD2 3.45Å; H130-H140 PolarHBondContact CE1-CD2 2.92Å; H130-H140 VanDerWaalsContact CE1-CD2 3.45Å; H130-H140 AromaticContact CE1-NE2 3.64Å; H130-H140 AromaticContact NE2-CD2 3.06Å; H130-H140 PolarHBondContact NE2-CD2 3.46Å; H130-H140 AromaticContact NE2-NE2 2.93Å; H130-H140 PolarHBondContact NE2-NE2 2.96Å; H130-H144 AromaticContact CE1-CD2 3.68Å; H130-H144 AromaticContact CE1-CE1 3.96Å; H130-H144 AromaticContact CE1-NE2 3.3Å; H130-H144 PolarHBondContact CE1-NE2 3.34Å; H130-H144 VanDerWaalsContact CE1-NE2 3.3Å; H130-H144 AromaticContact NE2-NE2 3.39Å; H130-H144 PolarHBondContact NE2-NE2 2.86Å; H130-H225 AromaticContact CD2-CE1 3.62Å; H130-H225 AromaticContact CD2-NE2 4Å; H130-H225 AromaticContact CE1-CE1 3.6Å; H130-H225 AromaticContact CE1-NE2 3.61Å; H130-H225 AromaticContact NE2-CE1 3.05Å; H130-H225 PolarHBondContact NE2-CE1 2.87Å; H130-H225 AromaticContact NE2-NE2 3.04Å; H130-H225 PolarHBondContact NE2-NE2 2.86Å; H130-F229 PolarHBondContact ND1-O 2.92Å; H130-F229 VanDerWaalsContact ND1-O 3.15Å; H130-Y233 HydrophobicContact CB-CD1 4.43Å; H130-Y233 HydrophobicContact CB-CE1 3.54Å; H130-Y233 AromaticContact CD2-CD1 3.63Å; H130-Y233 AromaticContact CD2-CE1 3.38Å; H130-Y233 WeakPolarHBondContact CD2-CE1 3.35Å; H130-Y233 AromaticContact CG-CE1 3.53Å
131K96.7Very high97.7Very high134 Ų13456.7 Ų56.758%0.58326%0.26SS*.Hα-helixtrans-85.6-28.7178.8-65.7-72179.6178.60113.1M127 L128M127-K131 HydrophobicContact CG-CG 4.1Å; M127-K131 VanDerWaalsContact O-CG 3.23Å; M127-K131 WeakPolarHBondContact O-CG 3.33Å; M127-K131 PolarHBondContact O-N 2.96Å; L128-K131 PolarHBondContact O-N 2.96Å
132V97.9Very high97.7Very high56 Ų5657.1 Ų57.134%0.33927%0.266SS..SBendtrans-109.8111.6-177.9-177.40000109.9L128 W134 L135 Y136L128-V132 WeakPolarHBondContact O-CB 3.35Å; L128-V132 PolarHBondContact O-N 3.04Å; V132-W134 HydrophobicContact CG1-CB 4.47Å; V132-W134 PolarHBondContact O-N 3.43Å; V132-W134 VanDerWaalsContact O-N 3.09Å; V132-L135 HydrophobicContact CB-CB 4.1Å; V132-L135 HydrophobicContact CB-CD1 3.88Å; V132-L135 HydrophobicContact CB-CG 4Å; V132-L135 HydrophobicContact CG1-CB 4.41Å; V132-L135 HydrophobicContact CG1-CD1 4.31Å; V132-L135 HydrophobicContact CG1-CG 4.07Å; V132-L135 HydrophobicContact CG2-CD1 4.13Å; V132-L135 WeakPolarHBondContact O-CB 3.34Å; V132-L135 PolarHBondContact O-N 3.48Å; V132-Y136 PolarHBondContact O-N 3.36Å; V132-Y136 VanDerWaalsContact O-N 3.08Å
133P97.1Very high97.6Very high86 Ų8657.3 Ų57.356%0.55827%0.266SS*.Hα-helixtrans-57.2-32.3-174-28.835.4000115.2R137P133-R137 VanDerWaalsContact O-CG 3.24Å; P133-R137 WeakPolarHBondContact O-CG 3.41Å; P133-R137 PolarHBondContact O-N 3.48Å; P133-R137 VanDerWaalsContact O-N 3.14Å
134W98.2Very high97.5Very high162 Ų16257.8 Ų57.861%0.61427%0.268SS*.Hα-helixtrans-67.7-42.417617579.7000112V132 R137 T138 F139V132-W134 HydrophobicContact CG1-CB 4.47Å; V132-W134 PolarHBondContact O-N 3.43Å; V132-W134 VanDerWaalsContact O-N 3.09Å; W134-R137 PolarHBondContact O-N 3.5Å; W134-T138 HydrophobicContact CZ2-CG2 4.39Å; W134-T138 VanDerWaalsContact O-CB 3.3Å; W134-T138 WeakPolarHBondContact O-CB 3.29Å; W134-T138 PolarHBondContact O-N 2.96Å; W134-T138 PolarHBondContact O-OG1 3.09Å; W134-F139 HydrophobicContact CH2-CE2 4.03Å; W134-F139 HydrophobicContact CZ3-CE2 4.22Å
135L97.9Very high97.3Very high15 Ų1561.2 Ų61.28%0.07929%0.285CS..Hα-helixtrans-64.1-46.1177.2-72.2179.5000110.6W125 L128 V132 R137 T138 F139W125-L135 HydrophobicContact CH2-CD1 4.4Å; W125-L135 HydrophobicContact CH2-CD2 3.61Å; W125-L135 HydrophobicContact CZ2-CD2 4.4Å; W125-L135 HydrophobicContact CZ3-CD1 4.11Å; W125-L135 HydrophobicContact CZ3-CD2 4.12Å; L128-L135 HydrophobicContact CB-CD1 3.86Å; V132-L135 HydrophobicContact CB-CB 4.1Å; V132-L135 HydrophobicContact CB-CD1 3.88Å; V132-L135 HydrophobicContact CB-CG 4Å; V132-L135 HydrophobicContact CG1-CB 4.41Å; V132-L135 HydrophobicContact CG1-CD1 4.31Å; V132-L135 HydrophobicContact CG1-CG 4.07Å; V132-L135 HydrophobicContact CG2-CD1 4.13Å; V132-L135 WeakPolarHBondContact O-CB 3.34Å; V132-L135 PolarHBondContact O-N 3.48Å; L135-R137 PolarHBondContact O-N 3.42Å; L135-T138 PolarHBondContact O-N 2.96Å; L135-F139 HydrophobicContact CD2-CD2 3.96Å; L135-F139 HydrophobicContact CD2-CE2 3.9Å; L135-F139 WeakPolarHBondContact O-CB 3.47Å; L135-F139 PolarHBondContact O-N 3.43Å
136Y97.8Very high97Very high58 Ų5859.8 Ų59.823%0.22728%0.28CS..Iπ-helixtrans-52.1-54.9174.7-176-103.4000111.7H129 H130 V132 T138 H140 K141 H144H129-Y136 VanDerWaalsContact O-CA 3.26Å; H129-Y136 WeakPolarHBondContact O-CA 3.26Å; H129-Y136 WeakPolarHBondContact O-CB 3.47Å; H129-Y136 PolarHBondContact O-N 2.89Å; H130-Y136 AromaticContact CE1-CE2 3.87Å; H130-Y136 AromaticContact ND1-CD2 3.84Å; H130-Y136 AromaticContact ND1-CE2 3.86Å; V132-Y136 PolarHBondContact O-N 3.36Å; V132-Y136 VanDerWaalsContact O-N 3.08Å; Y136-T138 VanDerWaalsContact C-N 3.28Å; Y136-T138 PolarHBondContact O-N 2.87Å; Y136-H140 HydrophobicContact CD2-CB 4.47Å; Y136-H140 CarbonylContact O-C 2.86Å; Y136-H140 PolarHBondContact O-N 3.43Å; Y136-H140 VanDerWaalsContact O-N 3.1Å; Y136-K141 HydrophobicContact CD1-CB 4.2Å; Y136-K141 HydrophobicContact CE1-CB 3.92Å; Y136-K141 HydrophobicContact CE1-CG 3.97Å; Y136-K141 WeakPolarHBondContact O-CB 3.44Å; Y136-K141 PolarHBondContact O-N 3.46Å; Y136-H144 HydrophobicContact CE2-CB 4.47Å
137R97.2Very high96.5Very high188 Ų18862 Ų6271%0.70930%0.295SS*.Iπ-helixtrans-64.1-33.3-174.6-71171.7-174-179.32.5112.8P133 W134 L135P133-R137 VanDerWaalsContact O-CG 3.24Å; P133-R137 WeakPolarHBondContact O-CG 3.41Å; P133-R137 PolarHBondContact O-N 3.48Å; P133-R137 VanDerWaalsContact O-N 3.14Å; W134-R137 PolarHBondContact O-N 3.5Å; L135-R137 PolarHBondContact O-N 3.42Å
138T96.8Very high96.2Very high51 Ų5162 Ų6231%0.31330%0.297SS..Iπ-helixtrans-90.5-40.8-171.8-53.50000112.7W134 L135 Y136W134-T138 HydrophobicContact CZ2-CG2 4.39Å; W134-T138 VanDerWaalsContact O-CB 3.3Å; W134-T138 WeakPolarHBondContact O-CB 3.29Å; W134-T138 PolarHBondContact O-N 2.96Å; W134-T138 PolarHBondContact O-OG1 3.09Å; L135-T138 PolarHBondContact O-N 2.96Å; Y136-T138 VanDerWaalsContact C-N 3.28Å; Y136-T138 PolarHBondContact O-N 2.87Å
139F97.2Very high96.1Very high26 Ų2659 Ų5911%0.11428%0.281CS..Iπ-helixtrans-101.5-49.7-173.2-69.9-104000111.7W125 H129 W134 L135 W160 E161W125-F139 HydrophobicContact CH2-CE1 4.35Å; W125-F139 HydrophobicContact CH2-CZ 4.36Å; W125-F139 AromaticContact CZ2-CD1 3.66Å; W125-F139 HydrophobicContact CZ2-CD1 3.66Å; W125-F139 HydrophobicContact CZ2-CD2 4.47Å; W125-F139 AromaticContact CZ2-CE1 3.58Å; W125-F139 HydrophobicContact CZ2-CE1 3.58Å; W125-F139 HydrophobicContact CZ2-CE2 4.44Å; W125-F139 HydrophobicContact CZ2-CG 4.14Å; W125-F139 HydrophobicContact CZ2-CZ 4.02Å; H129-F139 VanDerWaalsContact NE2-CB 3.29Å; H129-F139 WeakPolarHBondContact NE2-CB 3.43Å; H129-F139 AromaticContact NE2-CD1 3.91Å; H129-F139 AromaticContact NE2-CG 3.62Å; W134-F139 HydrophobicContact CH2-CE2 4.03Å; W134-F139 HydrophobicContact CZ3-CE2 4.22Å; L135-F139 HydrophobicContact CD2-CD2 3.96Å; L135-F139 HydrophobicContact CD2-CE2 3.9Å; L135-F139 WeakPolarHBondContact O-CB 3.47Å; L135-F139 PolarHBondContact O-N 3.43Å; F139-W160 HydrophobicContact CD1-CB 3.42Å; F139-W160 VanDerWaalsContact CD1-CB 3.42Å; F139-W160 HydrophobicContact CE1-CB 3.43Å; F139-W160 VanDerWaalsContact CE1-CB 3.43Å; F139-W160 HydrophobicContact CE1-CG 4.28Å; F139-W160 HydrophobicContact CG-CB 4.05Å; F139-W160 HydrophobicContact CZ-CB 4.05Å; F139-W160 HydrophobicContact CZ-CG 4.49Å; F139-E161 HydrophobicContact CB-CB 4.44Å; F139-E161 WeakPolarHBondContact O-CB 3.33Å
140H97Very high96.1Very high2 Ų259 Ų591%0.00928%0.281CS..Iπ-helixtrans-110.7-16.5-156.3-161.750.8000115.3H126 H129 H130 Y136 V142 H143 H144 E161 H225H126-H140 AromaticContact CD2-CD2 3.95Å; H126-H140 AromaticContact CD2-CE1 3.53Å; H126-H140 AromaticContact CD2-NE2 3.19Å; H126-H140 PolarHBondContact CD2-NE2 3.22Å; H126-H140 AromaticContact NE2-CE1 3.42Å; H126-H140 PolarHBondContact NE2-CE1 3.36Å; H126-H140 AromaticContact NE2-NE2 2.94Å; H126-H140 PolarHBondContact NE2-NE2 3.34Å; H129-H140 HydrophobicContact CB-CB 3.81Å; H129-H140 AromaticContact ND1-CG 3.69Å; H129-H140 AromaticContact ND1-ND1 3.87Å; H130-H140 AromaticContact CD2-CD2 3.8Å; H130-H140 AromaticContact CD2-NE2 3.85Å; H130-H140 AromaticContact CE1-CD2 3.45Å; H130-H140 PolarHBondContact CE1-CD2 2.92Å; H130-H140 VanDerWaalsContact CE1-CD2 3.45Å; H130-H140 AromaticContact CE1-NE2 3.64Å; H130-H140 AromaticContact NE2-CD2 3.06Å; H130-H140 PolarHBondContact NE2-CD2 3.46Å; H130-H140 AromaticContact NE2-NE2 2.93Å; H130-H140 PolarHBondContact NE2-NE2 2.96Å; Y136-H140 HydrophobicContact CD2-CB 4.47Å; Y136-H140 CarbonylContact O-C 2.86Å; Y136-H140 PolarHBondContact O-N 3.43Å; Y136-H140 VanDerWaalsContact O-N 3.1Å; H140-V142 PolarHBondContact O-N 3.17Å; H140-H143 AromaticContact CE1-CD2 3.32Å; H140-H143 PolarHBondContact CE1-CD2 3.23Å; H140-H143 AromaticContact ND1-CD2 3.86Å; H140-H143 WeakPolarHBondContact O-CB 3.23Å; H140-H143 PolarHBondContact O-N 3.46Å; H140-H143 VanDerWaalsContact O-N 3.14Å; H140-H144 AromaticContact CD2-CD2 3.17Å; H140-H144 PolarHBondContact CD2-CD2 3.5Å; H140-H144 AromaticContact CD2-NE2 3.39Å; H140-H144 PolarHBondContact CD2-NE2 3.47Å; H140-H144 AromaticContact CE1-CD2 3.75Å; H140-H144 AromaticContact CE1-NE2 3.61Å; H140-H144 AromaticContact CG-CD2 3.88Å; H140-H144 AromaticContact NE2-CD2 3.07Å; H140-H144 PolarHBondContact NE2-CD2 2.99Å; H140-H144 AromaticContact NE2-NE2 2.8Å; H140-H144 PolarHBondContact NE2-NE2 3.37Å; H140-H144 PolarHBondContact O-N 3.03Å; H140-E161 IonicContact CE1-OE1 3.94Å; H140-E161 PolarHBondContact CE1-OE1 3.19Å; H140-E161 IonicContact CG-OE1 3.79Å; H140-E161 VanDerWaalsContact ND1-CD 3.29Å; H140-E161 IonicContact ND1-OE1 3.17Å; H140-E161 PolarHBondContact ND1-OE1 2.65Å; H140-E161 IonicContact ND1-OE2 3.38Å; H140-E161 PolarHBondContact ND1-OE2 3.41Å; H140-H225 AromaticContact NE2-NE2 3.9Å
141K96.9Very high96.1Very high109 Ų10957.2 Ų57.247%0.47427%0.273SS..THydrogen-bonded Turntrans-57.9-35.9-177.7-178.9-177.9176.3-1700112.7Y136 H144 M145Y136-K141 HydrophobicContact CD1-CB 4.2Å; Y136-K141 HydrophobicContact CE1-CB 3.92Å; Y136-K141 HydrophobicContact CE1-CG 3.97Å; Y136-K141 WeakPolarHBondContact O-CB 3.44Å; Y136-K141 PolarHBondContact O-N 3.46Å; K141-H144 PolarHBondContact O-N 3.47Å; K141-M145 PolarHBondContact O-N 2.84Å
142V97.3Very high96.2Very high53 Ų5351 Ų5132%0.32125%0.246SC..THydrogen-bonded Turntrans-65-43.3179.3176.70000110.8H140 H144 M145 Y156H140-V142 PolarHBondContact O-N 3.17Å; V142-H144 PolarHBondContact O-N 3.48Å; V142-M145 VanDerWaalsContact O-CB 3.26Å; V142-M145 WeakPolarHBondContact O-CB 3.3Å; V142-M145 VanDerWaalsContact O-CG 3.24Å; V142-M145 WeakPolarHBondContact O-CG 3.24Å; V142-M145 PolarHBondContact O-N 2.94Å; V142-M145 VanDerWaalsContact O-N 3.1Å; V142-Y156 CarbonylContact C-O 3.56Å; V142-Y156 HydrophobicContact CG1-CD1 4.28Å; V142-Y156 HydrophobicContact CG1-CE1 4.15Å
143H97.3Very high96.2Very high12 Ų1248.4 Ų48.46%0.05623%0.23CC..G310 helixtrans-57.5-39.1176-174.374.5000112.6H140 M145 Y156 E161 H198 H222 H226H140-H143 AromaticContact CE1-CD2 3.32Å; H140-H143 PolarHBondContact CE1-CD2 3.23Å; H140-H143 AromaticContact ND1-CD2 3.86Å; H140-H143 WeakPolarHBondContact O-CB 3.23Å; H140-H143 PolarHBondContact O-N 3.46Å; H140-H143 VanDerWaalsContact O-N 3.14Å; H143-M145 VanDerWaalsContact C-N 3.28Å; H143-M145 PolarHBondContact O-N 2.91Å; H143-Y156 WeakPolarHBondContact CA-O 3.43Å; H143-Y156 PolarHBondContact N-O 2.96Å; H143-E161 VanDerWaalsContact CB-OE2 3.32Å; H143-E161 WeakPolarHBondContact CB-OE2 3.02Å; H143-E161 IonicContact CG-OE2 3.6Å; H143-H198 AromaticContact CE1-CE1 3.88Å; H143-H198 AromaticContact CE1-NE2 3.04Å; H143-H198 PolarHBondContact CE1-NE2 3.11Å; H143-H198 AromaticContact NE2-NE2 3.4Å; H143-H198 PolarHBondContact NE2-NE2 3.31Å; H143-H222 AromaticContact NE2-NE2 3.84Å; H143-H226 AromaticContact CD2-CE1 3.52Å; H143-H226 AromaticContact CD2-NE2 3.71Å; H143-H226 AromaticContact CE1-NE2 3.95Å; H143-H226 AromaticContact NE2-CE1 3.42Å; H143-H226 PolarHBondContact NE2-CE1 2.91Å; H143-H226 AromaticContact NE2-NE2 3.2Å; H143-H226 PolarHBondContact NE2-NE2 3.32Å
144H96.4Very high96.2Very high9 Ų945 Ų454%0.04221%0.208CC..G310 helixtrans-80.64.8178.9-89.3-63.6000115.9H130 Y136 H140 K141 V142 H146 H225 H226 F229H130-H144 AromaticContact CE1-CD2 3.68Å; H130-H144 AromaticContact CE1-CE1 3.96Å; H130-H144 AromaticContact CE1-NE2 3.3Å; H130-H144 PolarHBondContact CE1-NE2 3.34Å; H130-H144 VanDerWaalsContact CE1-NE2 3.3Å; H130-H144 AromaticContact NE2-NE2 3.39Å; H130-H144 PolarHBondContact NE2-NE2 2.86Å; Y136-H144 HydrophobicContact CE2-CB 4.47Å; H140-H144 AromaticContact CD2-CD2 3.17Å; H140-H144 PolarHBondContact CD2-CD2 3.5Å; H140-H144 AromaticContact CD2-NE2 3.39Å; H140-H144 PolarHBondContact CD2-NE2 3.47Å; H140-H144 AromaticContact CE1-CD2 3.75Å; H140-H144 AromaticContact CE1-NE2 3.61Å; H140-H144 AromaticContact CG-CD2 3.88Å; H140-H144 AromaticContact NE2-CD2 3.07Å; H140-H144 PolarHBondContact NE2-CD2 2.99Å; H140-H144 AromaticContact NE2-NE2 2.8Å; H140-H144 PolarHBondContact NE2-NE2 3.37Å; H140-H144 PolarHBondContact O-N 3.03Å; K141-H144 PolarHBondContact O-N 3.47Å; V142-H144 PolarHBondContact O-N 3.48Å; H144-H146 PolarHBondContact O-N 2.87Å; H144-H225 AromaticContact CE1-CD2 3.45Å; H144-H225 PolarHBondContact CE1-CD2 3.27Å; H144-H225 VanDerWaalsContact CE1-CD2 3.45Å; H144-H225 AromaticContact CE1-NE2 3.08Å; H144-H225 PolarHBondContact CE1-NE2 2.75Å; H144-H225 AromaticContact NE2-CD2 3.73Å; H144-H225 AromaticContact NE2-NE2 3Å; H144-H225 PolarHBondContact NE2-NE2 2.96Å; H144-H226 AromaticContact ND1-ND1 3.96Å; H144-F229 HydrophobicContact CB-CD1 4.15Å; H144-F229 HydrophobicContact CB-CE1 3.72Å; H144-F229 AromaticContact CE1-CD1 3.78Å; H144-F229 AromaticContact CG-CD1 3.62Å; H144-F229 AromaticContact CG-CE1 3.59Å; H144-F229 AromaticContact ND1-CD1 3.15Å; H144-F229 WeakPolarHBondContact ND1-CD1 3.2Å; H144-F229 AromaticContact ND1-CE1 3.14Å; H144-F229 WeakPolarHBondContact ND1-CE1 3.41Å
145M94.1Very high96.2Very high122 Ų12239 Ų3960%0.60119%0.187SC*.G310 helixtrans-65.7-20.6174.4-71.4-68.1-6300112.7K141 V142 H143 Y156K141-M145 PolarHBondContact O-N 2.84Å; V142-M145 VanDerWaalsContact O-CB 3.26Å; V142-M145 WeakPolarHBondContact O-CB 3.3Å; V142-M145 VanDerWaalsContact O-CG 3.24Å; V142-M145 WeakPolarHBondContact O-CG 3.24Å; V142-M145 PolarHBondContact O-N 2.94Å; V142-M145 VanDerWaalsContact O-N 3.1Å; H143-M145 VanDerWaalsContact C-N 3.28Å; H143-M145 PolarHBondContact O-N 2.91Å; M145-Y156 HydrophobicContact CB-CD1 4.49Å; M145-Y156 HydrophobicContact CB-CE1 3.93Å; M145-Y156 HydrophobicContact CG-CE1 4.39Å
146H91.4Very high96.2Very high23 Ų2340 Ų4011%0.10619%0.19CC..  trans-108.5107.7174.5-63.194.6000109.7H144 F150 T153 Y156 H226H144-H146 PolarHBondContact O-N 2.87Å; H146-F150 AromaticContact CD2-CE1 3.94Å; H146-T153 HydrophobicContact CB-CG2 3.76Å; H146-Y156 AromaticContact CE1-CD1 3.41Å; H146-Y156 VanDerWaalsContact CE1-CD1 3.41Å; H146-Y156 WeakPolarHBondContact CE1-CD1 3.43Å; H146-Y156 AromaticContact CE1-CE1 3.49Å; H146-Y156 VanDerWaalsContact CE1-CE1 3.49Å; H146-Y156 WeakPolarHBondContact CE1-CE1 3.3Å; H146-Y156 AromaticContact CE1-CG 3.79Å; H146-Y156 AromaticContact CE1-CZ 3.92Å; H146-Y156 AromaticContact ND1-CD1 3.32Å; H146-Y156 VanDerWaalsContact ND1-CD1 3.32Å; H146-Y156 WeakPolarHBondContact ND1-CD1 3.5Å; H146-Y156 AromaticContact ND1-CE1 3.71Å; H146-Y156 AromaticContact ND1-CG 3.9Å; H146-H226 PolarHBondContact O-ND1 3.48Å
147T89.1Confident96.1Very high65 Ų6537.6 Ų37.640%0.39918%0.181SC..SBendtrans-79.7-22.2174.447.80000113.1Q57 F229Q57-T147 PolarHBondContact NE2-O 2.85Å; T147-F229 HydrophobicContact CG2-CE2 4.12Å; T147-F229 HydrophobicContact CG2-CZ 3.59Å
148T90.6Very high96.1Very high30 Ų3029.1 Ų29.118%0.18415%0.152CC..SBendtrans-99.7123.1164.5-54.50000108.3Q57Q57-T148 HydrophobicContact CB-CG2 4.27Å; Q57-T148 HydrophobicContact CG-CG2 4.45Å; Q57-T148 PolarHBondContact OE1-OG1 3.34Å
149T95.8Very high96Very high0 Ų027.6 Ų27.60%015%0.145CC..  trans-77.9145.1174.364.70000111.6H198 G200 D223 H226T149-H198 CarbonylContact C-O 3.37Å; T149-H198 WeakPolarHBondContact CB-O 3.45Å; T149-G200 WeakPolarHBondContact O-CA 3.44Å; T149-D223 PolarHBondContact N-OD2 3.29Å; T149-D223 PolarHBondContact OG1-OD2 2.91Å; T149-H226 HydrophobicContact CG2-CB 3.85Å; T149-H226 VanDerWaalsContact CG2-CD2 3.44Å; T149-H226 WeakPolarHBondContact CG2-CD2 3.32Å
150F97.6Very high96Very high1 Ų133.7 Ų33.70%0.00417%0.167CC..  trans-148.5156.816365.1-80.3000107.8V62 M66 M67 H146 L152 T153 H198V62-F150 HydrophobicContact CB-CG 4.42Å; V62-F150 HydrophobicContact CG1-CB 4.38Å; V62-F150 HydrophobicContact CG1-CD1 4.07Å; V62-F150 HydrophobicContact CG1-CD2 3.48Å; V62-F150 VanDerWaalsContact CG1-CD2 3.48Å; V62-F150 HydrophobicContact CG1-CE1 4.21Å; V62-F150 HydrophobicContact CG1-CE2 3.61Å; V62-F150 HydrophobicContact CG1-CG 3.72Å; V62-F150 HydrophobicContact CG1-CZ 4.02Å; V62-F150 HydrophobicContact CG2-CB 3.62Å; V62-F150 HydrophobicContact CG2-CD1 4.04Å; V62-F150 HydrophobicContact CG2-CD2 4.3Å; V62-F150 HydrophobicContact CG2-CG 3.75Å; M66-F150 HydrophobicContact CB-CE1 4.23Å; M66-F150 HydrophobicContact CB-CZ 3.88Å; M66-F150 HydrophobicContact CE-CD1 4.33Å; M66-F150 HydrophobicContact CE-CE1 3.74Å; M66-F150 HydrophobicContact CE-CZ 4.5Å; M67-F150 HydrophobicContact CG-CE2 4.14Å; H146-F150 AromaticContact CD2-CE1 3.94Å; F150-L152 HydrophobicContact CD2-CB 4.09Å; F150-L152 HydrophobicContact CE2-CB 3.68Å; F150-L152 HydrophobicContact CE2-CD1 4.16Å; F150-L152 HydrophobicContact CE2-CG 4.34Å; F150-L152 PolarHBondContact O-N 2.85Å; F150-T153 HydrophobicContact CD1-CG2 3.35Å; F150-T153 HydrophobicContact CE1-CG2 3.14Å; F150-T153 HydrophobicContact CE2-CG2 4.43Å; F150-T153 HydrophobicContact CG-CG2 4.07Å; F150-T153 HydrophobicContact CZ-CG2 3.74Å; F150-T153 PolarHBondContact N-OG1 3.4Å; F150-T153 WeakPolarHBondContact O-CB 3.29Å; F150-T153 PolarHBondContact O-N 3.39Å; F150-T153 PolarHBondContact O-OG1 3.48Å; F150-H198 CarbonylContact C-O 3.49Å; F150-H198 WeakPolarHBondContact CA-O 2.95Å; F150-H198 PolarHBondContact N-O 3.31Å
151A98.2Very high96Very high0 Ų034 Ų340%017%0.169CC..G310 helixtrans-50.5-33.3-162.800000115.8C35 F38 T153 T154 V195 H198C35-A151 HydrophobicContact CB-CB 4.17Å; C35-A151 PolarHBondContact SG-O 2.86Å; F38-A151 HydrophobicContact CB-CB 3.53Å; F38-A151 HydrophobicContact CD2-CB 3.91Å; F38-A151 HydrophobicContact CG-CB 4.04Å; A151-T153 VanDerWaalsContact C-N 3.3Å; A151-T153 PolarHBondContact O-N 2.85Å; A151-T154 WeakPolarHBondContact O-CB 3.4Å; A151-T154 PolarHBondContact O-N 3.27Å; A151-T154 PolarHBondContact O-OG1 3Å; A151-V195 HydrophobicContact CB-CG1 4.07Å; A151-H198 PolarHBondContact N-O 2.9Å
152L98.4Very high96Very high4 Ų430 Ų302%0.02115%0.153CC..G310 helixtrans-74.5-14.1178.8-62.5169.5000114.5Y31 C35 V39 M67 C70 L71 F150 T154Y31-L152 VanDerWaalsContact OH-CA 3.3Å; Y31-L152 WeakPolarHBondContact OH-CA 3.31Å; Y31-L152 PolarHBondContact OH-O 3.41Å; C35-L152 HydrophobicContact CB-CD2 3.87Å; V39-L152 HydrophobicContact CG2-CD1 3.91Å; V39-L152 HydrophobicContact CG2-CD2 4.42Å; V39-L152 HydrophobicContact CG2-CG 3.97Å; M67-L152 HydrophobicContact CB-CD1 3.84Å; M67-L152 HydrophobicContact CG-CD1 4.04Å; C70-L152 HydrophobicContact CB-CB 3.69Å; C70-L152 WeakPolarHBondContact CB-O 3.44Å; L71-L152 HydrophobicContact CD1-CD1 4.4Å; L71-L152 HydrophobicContact CD2-CD1 4.38Å; L71-L152 HydrophobicContact CD2-CD2 3.69Å; L71-L152 HydrophobicContact CG-CD1 4.07Å; L71-L152 HydrophobicContact CG-CD2 4.24Å; F150-L152 HydrophobicContact CD2-CB 4.09Å; F150-L152 HydrophobicContact CE2-CB 3.68Å; F150-L152 HydrophobicContact CE2-CD1 4.16Å; F150-L152 HydrophobicContact CE2-CG 4.34Å; F150-L152 PolarHBondContact O-N 2.85Å; L152-T154 PolarHBondContact O-N 3.37Å
153T97.6Very high96Very high0 Ų029.5 Ų29.50%015%0.149CC..G310 helixtrans-71.5-16.3175.660.10000112.5H146 F150 A151 E155 Y156H146-T153 HydrophobicContact CB-CG2 3.76Å; F150-T153 HydrophobicContact CD1-CG2 3.35Å; F150-T153 HydrophobicContact CE1-CG2 3.14Å; F150-T153 HydrophobicContact CE2-CG2 4.43Å; F150-T153 HydrophobicContact CG-CG2 4.07Å; F150-T153 HydrophobicContact CZ-CG2 3.74Å; F150-T153 PolarHBondContact N-OG1 3.4Å; F150-T153 WeakPolarHBondContact O-CB 3.29Å; F150-T153 PolarHBondContact O-N 3.39Å; F150-T153 PolarHBondContact O-OG1 3.48Å; A151-T153 VanDerWaalsContact C-N 3.3Å; A151-T153 PolarHBondContact O-N 2.85Å; T153-E155 PolarHBondContact O-N 2.86Å; T153-Y156 PolarHBondContact O-N 2.79Å
154T97.9Very high96.1Very high15 Ų1529.8 Ų29.89%0.09215%0.152CC..G310 helixtrans-47.7-46.2176-51.50000112.2Y31 A151 L152 S194 V195 H198Y31-T154 HydrophobicContact CE2-CG2 4.33Å; A151-T154 WeakPolarHBondContact O-CB 3.4Å; A151-T154 PolarHBondContact O-N 3.27Å; A151-T154 PolarHBondContact O-OG1 3Å; L152-T154 PolarHBondContact O-N 3.37Å; T154-S194 WeakPolarHBondContact CG2-OG 3.48Å; T154-V195 HydrophobicContact CG2-CG2 4.18Å; T154-V195 WeakPolarHBondContact OG1-CA 3.24Å; T154-H198 VanDerWaalsContact OG1-CB 3.32Å; T154-H198 WeakPolarHBondContact OG1-CB 3.43Å
155E97.3Very high96.1Very high37 Ų3731.9 Ų31.917%0.17316%0.163CC..G310 helixtrans-104.310.1179.9-66-168.5164.300113.7Y31 S74 H78 T153 S157Y31-E155 HydrophobicContact CD1-CG 4.19Å; Y31-E155 WeakPolarHBondContact CD1-OE2 3.43Å; Y31-E155 HydrophobicContact CD2-CG 3.95Å; Y31-E155 HydrophobicContact CE1-CB 4.11Å; Y31-E155 VanDerWaalsContact CE1-CD 3.49Å; Y31-E155 HydrophobicContact CE1-CG 3.91Å; Y31-E155 WeakPolarHBondContact CE1-OE2 3.29Å; Y31-E155 HydrophobicContact CE2-CB 4.3Å; Y31-E155 HydrophobicContact CE2-CG 3.69Å; Y31-E155 HydrophobicContact CG-CG 4.18Å; S74-E155 WeakPolarHBondContact CB-OE2 3.1Å; S74-E155 PolarHBondContact OG-OE2 3.41Å; H78-E155 IonicContact CE1-OE1 3.4Å; H78-E155 IonicContact CE1-OE2 3.33Å; H78-E155 PolarHBondContact CE1-OE2 2.88Å; H78-E155 IonicContact ND1-OE2 3.56Å; T153-E155 PolarHBondContact O-N 2.86Å; E155-S157 PolarHBondContact O-N 3.3Å
156Y97.6Very high96.2Very high36 Ų3627.3 Ų27.314%0.14115%0.148CC..  trans-77.758.6171.2-163.9-101000110.7C70 H73 V142 H143 M145 H146 T153C70-Y156 HydrophobicContact CB-CD2 4.26Å; H73-Y156 HydrophobicContact CB-CD2 3.75Å; H73-Y156 HydrophobicContact CB-CE2 3.76Å; H73-Y156 AromaticContact CG-CD2 3.88Å; H73-Y156 AromaticContact CG-CE2 3.88Å; V142-Y156 CarbonylContact C-O 3.56Å; V142-Y156 HydrophobicContact CG1-CD1 4.28Å; V142-Y156 HydrophobicContact CG1-CE1 4.15Å; H143-Y156 WeakPolarHBondContact CA-O 3.43Å; H143-Y156 PolarHBondContact N-O 2.96Å; M145-Y156 HydrophobicContact CB-CD1 4.49Å; M145-Y156 HydrophobicContact CB-CE1 3.93Å; M145-Y156 HydrophobicContact CG-CE1 4.39Å; H146-Y156 AromaticContact CE1-CD1 3.41Å; H146-Y156 VanDerWaalsContact CE1-CD1 3.41Å; H146-Y156 WeakPolarHBondContact CE1-CD1 3.43Å; H146-Y156 AromaticContact CE1-CE1 3.49Å; H146-Y156 VanDerWaalsContact CE1-CE1 3.49Å; H146-Y156 WeakPolarHBondContact CE1-CE1 3.3Å; H146-Y156 AromaticContact CE1-CG 3.79Å; H146-Y156 AromaticContact CE1-CZ 3.92Å; H146-Y156 AromaticContact ND1-CD1 3.32Å; H146-Y156 VanDerWaalsContact ND1-CD1 3.32Å; H146-Y156 WeakPolarHBondContact ND1-CD1 3.5Å; H146-Y156 AromaticContact ND1-CE1 3.71Å; H146-Y156 AromaticContact ND1-CG 3.9Å; T153-Y156 PolarHBondContact O-N 2.79Å
157S96.5Very high96.5Very high6 Ų632.2 Ų32.24%0.04217%0.169CC..  trans-121.1160.4-175.864.20000112H73 N77 E155 T162H73-S157 PolarHBondContact NE2-O 3.27Å; N77-S157 PolarHBondContact ND2-O 3.22Å; E155-S157 PolarHBondContact O-N 3.3Å; S157-T162 PolarHBondContact OG-OG1 3.19Å
158G96.6Very high96.9Very high10 Ų1030.8 Ų30.810%0.10316%0.157CC..  trans-66.3154.2175.300000111.1W160 E161 T162G158-W160 PolarHBondContact O-N 3.22Å; G158-E161 PolarHBondContact O-N 3.06Å; G158-E161 VanDerWaalsContact O-N 3.11Å; G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 3.48Å
159A96.3Very high97.2Very high20 Ų2030 Ų3017%0.16515%0.153CC..Hα-helixtrans-51.9-43.6178.600000112.5F81 E161 T162 L163F81-A159 HydrophobicContact CD1-CB 4.13Å; F81-A159 HydrophobicContact CD2-CB 3.56Å; F81-A159 HydrophobicContact CE1-CB 3.92Å; F81-A159 HydrophobicContact CE2-CB 3.35Å; F81-A159 HydrophobicContact CG-CB 3.98Å; F81-A159 HydrophobicContact CZ-CB 3.54Å; A159-E161 PolarHBondContact O-N 2.83Å; A159-T162 PolarHBondContact O-N 3.21Å; A159-L163 WeakPolarHBondContact O-CB 3.27Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.92Å
160W96.9Very high97.1Very high154 Ų15433.1 Ų33.158%0.58317%0.174SC*.Hα-helixtrans-66.1-38-179-65.1120.2000113.6F139 G158 L163 S164F139-W160 HydrophobicContact CD1-CB 3.42Å; F139-W160 VanDerWaalsContact CD1-CB 3.42Å; F139-W160 HydrophobicContact CE1-CB 3.43Å; F139-W160 VanDerWaalsContact CE1-CB 3.43Å; F139-W160 HydrophobicContact CE1-CG 4.28Å; F139-W160 HydrophobicContact CG-CB 4.05Å; F139-W160 HydrophobicContact CZ-CB 4.05Å; F139-W160 HydrophobicContact CZ-CG 4.49Å; G158-W160 PolarHBondContact O-N 3.22Å; W160-L163 HydrophobicContact CE3-CD1 4.35Å; W160-S164 WeakPolarHBondContact O-CB 3.26Å; W160-S164 PolarHBondContact O-N 3.47Å; W160-S164 PolarHBondContact O-OG 3.37Å
161E97.3Very high97.1Very high9 Ų934.4 Ų34.44%0.04218%0.182CC..Hα-helixtrans-67-49.6174.3173158.4-131.200110.8H129 F139 H140 H143 G158 A159 L163 S164 L165H129-E161 IonicContact CE1-OE1 3.21Å; H129-E161 IonicContact ND1-OE1 3.54Å; F139-E161 HydrophobicContact CB-CB 4.44Å; F139-E161 WeakPolarHBondContact O-CB 3.33Å; H140-E161 IonicContact CE1-OE1 3.94Å; H140-E161 PolarHBondContact CE1-OE1 3.19Å; H140-E161 IonicContact CG-OE1 3.79Å; H140-E161 VanDerWaalsContact ND1-CD 3.29Å; H140-E161 IonicContact ND1-OE1 3.17Å; H140-E161 PolarHBondContact ND1-OE1 2.65Å; H140-E161 IonicContact ND1-OE2 3.38Å; H140-E161 PolarHBondContact ND1-OE2 3.41Å; H143-E161 VanDerWaalsContact CB-OE2 3.32Å; H143-E161 WeakPolarHBondContact CB-OE2 3.02Å; H143-E161 IonicContact CG-OE2 3.6Å; G158-E161 PolarHBondContact O-N 3.06Å; G158-E161 VanDerWaalsContact O-N 3.11Å; A159-E161 PolarHBondContact O-N 2.83Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.36Å; E161-S164 WeakPolarHBondContact CA-OG 3.34Å; E161-S164 PolarHBondContact O-N 3.32Å; E161-S164 VanDerWaalsContact O-N 3.11Å; E161-S164 PolarHBondContact O-OG 2.95Å; E161-L165 HydrophobicContact CG-CD1 3.99Å; E161-L165 HydrophobicContact CG-CG 4.43Å; E161-L165 WeakPolarHBondContact O-CG 3.48Å; E161-L165 PolarHBondContact O-N 3.14Å
162T96.9Very high97Very high23 Ų2334.4 Ų34.414%0.14118%0.182CC..Hα-helixtrans-52.6-47.8175.2-62.90000111.3N77 L82 S157 G158 A159 G166N77-T162 PolarHBondContact ND2-OG1 3.46Å; L82-T162 HydrophobicContact CD1-CG2 4.11Å; L82-T162 HydrophobicContact CD2-CG2 4.01Å; L82-T162 HydrophobicContact CG-CG2 4.21Å; S157-T162 PolarHBondContact OG-OG1 3.19Å; G158-T162 PolarHBondContact O-N 3.32Å; G158-T162 PolarHBondContact O-OG1 3.48Å; A159-T162 PolarHBondContact O-N 3.21Å; T162-G166 PolarHBondContact O-N 3.24Å
163L97.3Very high96.9Very high44 Ų4434.3 Ų34.323%0.2318%0.182CC..Hα-helixtrans-66.1-39.5179.2-71.1170.9000112.5F81 L82 L85 A159 W160 E161 G166 F167F81-L163 HydrophobicContact CB-CD2 4.31Å; L82-L163 HydrophobicContact CD2-CD2 4.36Å; L85-L163 HydrophobicContact CD2-CD2 3.79Å; A159-L163 WeakPolarHBondContact O-CB 3.27Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.92Å; W160-L163 HydrophobicContact CE3-CD1 4.35Å; E161-L163 VanDerWaalsContact C-N 3.29Å; E161-L163 PolarHBondContact O-N 3.36Å; L163-G166 PolarHBondContact O-N 3.36Å; L163-F167 VanDerWaalsContact O-CB 3.31Å; L163-F167 WeakPolarHBondContact O-CB 3.25Å; L163-F167 PolarHBondContact O-N 3.02Å
164S97.8Very high96.7Very high17 Ų1738.7 Ų38.712%0.11921%0.205CC..Hα-helixtrans-66.2-44178.364.60000112.7W125 W160 E161 F167 F168W125-S164 PolarHBondContact NE1-OG 3.02Å; W160-S164 WeakPolarHBondContact O-CB 3.26Å; W160-S164 PolarHBondContact O-N 3.47Å; W160-S164 PolarHBondContact O-OG 3.37Å; E161-S164 WeakPolarHBondContact CA-OG 3.34Å; E161-S164 PolarHBondContact O-N 3.32Å; E161-S164 VanDerWaalsContact O-N 3.11Å; E161-S164 PolarHBondContact O-OG 2.95Å; S164-F167 WeakPolarHBondContact O-CB 3.16Å; S164-F167 PolarHBondContact O-N 3.07Å; S164-F168 WeakPolarHBondContact O-CD2 3.26Å; S164-F168 WeakPolarHBondContact O-CG 3.49Å; S164-F168 PolarHBondContact O-N 3.35Å
165L97.3Very high96.7Very high54 Ų5444 Ų4428%0.28323%0.232SC..Hα-helixtrans-69.7-37.8176.6-62.9177.3000111.5F118 E161 F167 F168 S169F118-L165 HydrophobicContact CZ-CD2 4.27Å; E161-L165 HydrophobicContact CG-CD1 3.99Å; E161-L165 HydrophobicContact CG-CG 4.43Å; E161-L165 WeakPolarHBondContact O-CG 3.48Å; E161-L165 PolarHBondContact O-N 3.14Å; L165-F167 VanDerWaalsContact C-N 3.32Å; L165-F167 PolarHBondContact O-N 3Å; L165-F168 HydrophobicContact CD2-CD2 4.35Å; L165-F168 PolarHBondContact O-N 3.47Å; L165-S169 WeakPolarHBondContact O-CB 3.43Å; L165-S169 PolarHBondContact O-N 3.14Å; L165-S169 PolarHBondContact O-OG 3.33Å
166G96.7Very high96.7Very high26 Ų2644.8 Ų44.827%0.26824%0.237SC..Hα-helixtrans-62.3-38.4172.300000112.4T162 L163 S169 S170T162-G166 PolarHBondContact O-N 3.24Å; L163-G166 PolarHBondContact O-N 3.36Å; G166-S169 PolarHBondContact O-N 3.46Å; G166-S170 WeakPolarHBondContact O-CB 3.3Å; G166-S170 PolarHBondContact O-N 3.14Å; G166-S170 PolarHBondContact O-OG 3.42Å
167F96.8Very high96.5Very high125 Ų12545.8 Ų45.855%0.54826%0.258SS..Hα-helixtrans-63.9-49.3174.5173.6-98.9000111.7L163 S164 L165 S169 S170 V171L163-F167 VanDerWaalsContact O-CB 3.31Å; L163-F167 WeakPolarHBondContact O-CB 3.25Å; L163-F167 PolarHBondContact O-N 3.02Å; S164-F167 WeakPolarHBondContact O-CB 3.16Å; S164-F167 PolarHBondContact O-N 3.07Å; L165-F167 VanDerWaalsContact C-N 3.32Å; L165-F167 PolarHBondContact O-N 3Å; F167-S169 VanDerWaalsContact C-N 3.34Å; F167-S169 PolarHBondContact O-N 3.2Å; F167-S170 PolarHBondContact O-N 3.03Å; F167-V171 HydrophobicContact CE1-CG1 4.26Å; F167-V171 HydrophobicContact CE2-CB 4.49Å; F167-V171 HydrophobicContact CZ-CB 4.36Å; F167-V171 HydrophobicContact CZ-CG1 4.47Å; F167-V171 HydrophobicContact CZ-CG2 4.31Å; F167-V171 WeakPolarHBondContact O-CB 3.4Å; F167-V171 WeakPolarHBondContact O-CG1 3.35Å; F167-V171 PolarHBondContact O-N 3.06Å
168F97.7Very high96.5Very high35 Ų3546.4 Ų46.415%0.15426%0.262CS..Hα-helixtrans-58.4-45.6175.9-63.5-27.2000112.1F118 Q121 W125 S164 L165 S170 N172F118-F168 HydrophobicContact CD2-CB 3.92Å; F118-F168 HydrophobicContact CE2-CB 4.06Å; Q121-F168 HydrophobicContact CB-CB 4.49Å; Q121-F168 HydrophobicContact CB-CD1 4.23Å; Q121-F168 HydrophobicContact CB-CD2 3.98Å; Q121-F168 HydrophobicContact CB-CE1 4.5Å; Q121-F168 HydrophobicContact CB-CE2 4.25Å; Q121-F168 HydrophobicContact CB-CG 3.99Å; W125-F168 HydrophobicContact CB-CE2 3.89Å; W125-F168 HydrophobicContact CB-CZ 4.29Å; W125-F168 AromaticContact CD1-CE2 3.82Å; W125-F168 AromaticContact CG-CE2 3.92Å; W125-F168 HydrophobicContact CG-CE2 3.92Å; W125-F168 HydrophobicContact CG-CZ 4.21Å; S164-F168 WeakPolarHBondContact O-CD2 3.26Å; S164-F168 WeakPolarHBondContact O-CG 3.49Å; S164-F168 PolarHBondContact O-N 3.35Å; L165-F168 HydrophobicContact CD2-CD2 4.35Å; L165-F168 PolarHBondContact O-N 3.47Å; F168-S170 VanDerWaalsContact C-N 3.33Å; F168-S170 PolarHBondContact O-N 2.9Å; F168-N172 PolarHBondContact O-N 2.93Å; F168-N172 PolarHBondContact O-ND2 3.17Å; F168-N172 VanDerWaalsContact O-ND2 3.16Å
169S96.8Very high96.5Very high15 Ų1546.7 Ų46.711%0.10526%0.261CS..Hα-helixtrans-60-43.9176.9-57.10000111.4F118 L165 G166 F167 P173 F186 Y187F118-S169 WeakPolarHBondContact CE2-OG 3.4Å; L165-S169 WeakPolarHBondContact O-CB 3.43Å; L165-S169 PolarHBondContact O-N 3.14Å; L165-S169 PolarHBondContact O-OG 3.33Å; G166-S169 PolarHBondContact O-N 3.46Å; F167-S169 VanDerWaalsContact C-N 3.34Å; F167-S169 PolarHBondContact O-N 3.2Å; S169-P173 WeakPolarHBondContact O-CD 3.46Å; S169-F186 WeakPolarHBondContact O-CE1 3.49Å; S169-Y187 WeakPolarHBondContact O-CE1 3.5Å
170S94.6Very high96.4Very high64 Ų6446.8 Ų46.845%0.44826%0.26SS..Hα-helixtrans-75.3-35.7-176.2-54.50000113.6G166 F167 F168 Y187G166-S170 WeakPolarHBondContact O-CB 3.3Å; G166-S170 PolarHBondContact O-N 3.14Å; G166-S170 PolarHBondContact O-OG 3.42Å; F167-S170 PolarHBondContact O-N 3.03Å; F168-S170 VanDerWaalsContact C-N 3.33Å; F168-S170 PolarHBondContact O-N 2.9Å; S170-Y187 WeakPolarHBondContact CA-OH 3.12Å
171V95.6Very high96.4Very high28 Ų2840 Ų4017%0.1724%0.235CC..Hα-helixtrans-77.3-30-174.778.50000112.3F167 L174 L175F167-V171 HydrophobicContact CE1-CG1 4.26Å; F167-V171 HydrophobicContact CE2-CB 4.49Å; F167-V171 HydrophobicContact CZ-CB 4.36Å; F167-V171 HydrophobicContact CZ-CG1 4.47Å; F167-V171 HydrophobicContact CZ-CG2 4.31Å; F167-V171 WeakPolarHBondContact O-CB 3.4Å; F167-V171 WeakPolarHBondContact O-CG1 3.35Å; F167-V171 PolarHBondContact O-N 3.06Å; V171-L174 WeakPolarHBondContact O-CB 3.17Å; V171-L174 PolarHBondContact O-N 2.98Å; V171-L175 HydrophobicContact CG1-CD1 4.45Å; V171-L175 HydrophobicContact CG2-CD1 3.99Å; V171-L175 HydrophobicContact CG2-CG 4.07Å; V171-L175 VanDerWaalsContact O-CG 3.3Å; V171-L175 WeakPolarHBondContact O-CG 3.41Å; V171-L175 PolarHBondContact O-N 3.36Å
172N97.4Very high96.4Very high0 Ų039.6 Ų39.60%023%0.233CC..Hα-helixtrans-64.2-50.9-175.9-68.9-16.6000113.2L117 F118 Q121 F168 L174 L175 L176L117-N172 HydrophobicContact CB-CB 4.49Å; L117-N172 HydrophobicContact CD1-CB 4.46Å; F118-N172 PolarHBondContact N-ND2 2.88Å; Q121-N172 PolarHBondContact NE2-OD1 2.55Å; Q121-N172 PolarHBondContact OE1-ND2 3.44Å; Q121-N172 PolarHBondContact OE1-OD1 2.86Å; Q121-N172 VanDerWaalsContact OE1-OD1 3.13Å; F168-N172 PolarHBondContact O-N 2.93Å; F168-N172 PolarHBondContact O-ND2 3.17Å; F168-N172 VanDerWaalsContact O-ND2 3.16Å; N172-L174 PolarHBondContact O-N 3.39Å; N172-L175 PolarHBondContact O-N 2.91Å; N172-L176 WeakPolarHBondContact O-CG 3.32Å; N172-L176 PolarHBondContact O-N 3.4Å
173P96.4Very high96.3Very high3 Ų341.7 Ų41.72%0.01924%0.241CC..Hα-helixtrans-58.9-36.7174.3-23.333.4000112.7S169 L176 G177 C178 E183 F186 Y187S169-P173 WeakPolarHBondContact O-CD 3.46Å; P173-L176 PolarHBondContact O-N 2.92Å; P173-G177 PolarHBondContact O-N 3.48Å; P173-G177 VanDerWaalsContact O-N 3.09Å; P173-C178 HydrophobicContact CB-CB 3.84Å; P173-C178 WeakPolarHBondContact O-CB 3.33Å; P173-C178 PolarHBondContact O-N 3.38Å; P173-E183 HydrophobicContact CB-CB 4.02Å; P173-E183 HydrophobicContact CB-CG 4Å; P173-E183 HydrophobicContact CG-CB 4.35Å; P173-E183 HydrophobicContact CG-CG 4.02Å; P173-F186 HydrophobicContact CG-CD1 3.85Å; P173-F186 HydrophobicContact CG-CE1 4.2Å; P173-Y187 HydrophobicContact CG-CE1 4.47Å
174L94Very high96.3Very high91 Ų9141 Ų4148%0.47624%0.238SC..Hα-helixtrans-64.6-47.2177.6179.257.1000112V171 N172 L176 G177V171-L174 WeakPolarHBondContact O-CB 3.17Å; V171-L174 PolarHBondContact O-N 2.98Å; N172-L174 PolarHBondContact O-N 3.39Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 2.93Å; L174-G177 PolarHBondContact O-N 2.89Å
175L96.3Very high96.3Very high126 Ų12643.1 Ų43.166%0.6625%0.247SC*.Hα-helixtrans-64.7-35.3179.4-71.9172.6000112.3V171 N172 G177V171-L175 HydrophobicContact CG1-CD1 4.45Å; V171-L175 HydrophobicContact CG2-CD1 3.99Å; V171-L175 HydrophobicContact CG2-CG 4.07Å; V171-L175 VanDerWaalsContact O-CG 3.3Å; V171-L175 WeakPolarHBondContact O-CG 3.41Å; V171-L175 PolarHBondContact O-N 3.36Å; N172-L175 PolarHBondContact O-N 2.91Å; L175-G177 VanDerWaalsContact C-N 3.31Å
176L96.9Very high96.4Very high55 Ų5540.6 Ų40.629%0.28823%0.234SC..Hα-helixtrans-83.4-6.3179.4-66.9176.4000113.5R106 A113 L117 N172 P173 L174 C178R106-L176 PolarHBondContact NH2-O 3.32Å; A113-L176 HydrophobicContact CB-CD1 3.7Å; L117-L176 HydrophobicContact CD1-CD1 3.82Å; L117-L176 HydrophobicContact CD1-CD2 4.21Å; L117-L176 HydrophobicContact CD1-CG 4.08Å; N172-L176 WeakPolarHBondContact O-CG 3.32Å; N172-L176 PolarHBondContact O-N 3.4Å; P173-L176 PolarHBondContact O-N 2.92Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 2.93Å; L176-C178 VanDerWaalsContact C-N 3.3Å
177G95.2Very high96.5Very high56 Ų5641.5 Ų41.558%0.57723%0.229SC*.THydrogen-bonded Turntrans63.237.8-176.300000112.2P173 L174 L175P173-G177 PolarHBondContact O-N 3.48Å; P173-G177 VanDerWaalsContact O-N 3.09Å; L174-G177 PolarHBondContact O-N 2.89Å; L175-G177 VanDerWaalsContact C-N 3.31Å
178C96.3Very high96.6Very high19 Ų1937.5 Ų37.513%0.12822%0.215CC..  trans-64.3146.2-176.2-69.80000111.8P173 L176 T182P173-C178 HydrophobicContact CB-CB 3.84Å; P173-C178 WeakPolarHBondContact O-CB 3.33Å; P173-C178 PolarHBondContact O-N 3.38Å; L176-C178 VanDerWaalsContact C-N 3.3Å; C178-T182 HydrophobicContact CB-CG2 4.21Å
179H95.9Very high96.6Very high17 Ų1738.7 Ų38.78%0.07922%0.223CC..  trans-64.9143.9168.1-177-73.8000110.3W7 I98 E100 P102 L181 T182 E183W7-H179 AromaticContact CD2-CE1 3.84Å; W7-H179 AromaticContact CE2-CE1 3.43Å; W7-H179 VanDerWaalsContact CE2-CE1 3.43Å; W7-H179 AromaticContact CE2-NE2 3.9Å; W7-H179 AromaticContact CZ2-CE1 3.59Å; W7-H179 AromaticContact NE1-CE1 3.67Å; W7-H179 AromaticContact NE1-NE2 3.69Å; I98-H179 WeakPolarHBondContact CD1-CD2 3.2Å; E100-H179 PolarHBondContact O-NE2 2.94Å; P102-H179 HydrophobicContact CB-CB 3.76Å; P102-H179 HydrophobicContact CG-CB 3.95Å; H179-L181 VanDerWaalsContact C-N 3.32Å; H179-L181 VanDerWaalsContact ND1-CB 3.28Å; H179-L181 WeakPolarHBondContact ND1-CB 3.49Å; H179-L181 PolarHBondContact ND1-N 3.06Å; H179-L181 PolarHBondContact O-N 3.4Å; H179-T182 WeakPolarHBondContact O-CA 3.24Å; H179-T182 WeakPolarHBondContact O-CB 3.45Å; H179-T182 PolarHBondContact O-N 3.26Å; H179-E183 PolarHBondContact O-N 3.24Å
180P94.9Very high96.7Very high22 Ų2238.6 Ų38.614%0.14322%0.221CC..Hα-helixtrans-54.5-40-179.9-29.636.2000114.9W7 F97 T182 E183 M184W7-P180 HydrophobicContact CH2-CB 3.91Å; W7-P180 HydrophobicContact CZ2-CB 4.44Å; F97-P180 HydrophobicContact CD1-CB 3.65Å; F97-P180 HydrophobicContact CD1-CG 3.83Å; F97-P180 HydrophobicContact CE1-CB 3.81Å; F97-P180 HydrophobicContact CE1-CG 4.31Å; P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 3.4Å; P180-E183 WeakPolarHBondContact O-CB 3.27Å; P180-E183 PolarHBondContact O-N 3.13Å; P180-M184 WeakPolarHBondContact O-CG 3.47Å; P180-M184 PolarHBondContact O-N 2.86Å
181L95.9Very high96.9Very high11 Ų1136.9 Ų36.96%0.05821%0.206CC..Hα-helixtrans-56.1-41.2170.1-176.459000113.3W7 I10 P102 L107 H179 L185W7-L181 HydrophobicContact CB-CD2 4.3Å; W7-L181 HydrophobicContact CD2-CB 4.37Å; W7-L181 HydrophobicContact CE3-CB 3.81Å; W7-L181 HydrophobicContact CE3-CD1 4.11Å; W7-L181 HydrophobicContact CE3-CD2 4.42Å; W7-L181 HydrophobicContact CE3-CG 4.33Å; W7-L181 HydrophobicContact CZ3-CB 4.03Å; I10-L181 HydrophobicContact CD1-CD1 3.64Å; P102-L181 HydrophobicContact CG-CB 4.42Å; P102-L181 HydrophobicContact CG-CD2 4.32Å; L107-L181 HydrophobicContact CD1-CD2 4.25Å; L107-L181 HydrophobicContact CD1-CG 4.32Å; H179-L181 VanDerWaalsContact C-N 3.32Å; H179-L181 VanDerWaalsContact ND1-CB 3.28Å; H179-L181 WeakPolarHBondContact ND1-CB 3.49Å; H179-L181 PolarHBondContact ND1-N 3.06Å; H179-L181 PolarHBondContact O-N 3.4Å; L181-L185 WeakPolarHBondContact O-CB 3.34Å; L181-L185 PolarHBondContact O-N 3.34Å
182T97.1Very high97Very high0 Ų038.9 Ų38.90%021%0.211CC..Hα-helixtrans-65.4-43.5176.2-57.80000110.5D110 V111 C178 H179 P180 L185 F186D110-T182 HydrophobicContact CB-CG2 3.44Å; D110-T182 VanDerWaalsContact CB-CG2 3.44Å; V111-T182 HydrophobicContact CG2-CG2 3.79Å; C178-T182 HydrophobicContact CB-CG2 4.21Å; H179-T182 WeakPolarHBondContact O-CA 3.24Å; H179-T182 WeakPolarHBondContact O-CB 3.45Å; H179-T182 PolarHBondContact O-N 3.26Å; P180-T182 VanDerWaalsContact C-N 3.3Å; P180-T182 PolarHBondContact O-N 3.4Å; T182-L185 PolarHBondContact O-N 2.77Å; T182-F186 WeakPolarHBondContact O-CB 3.19Å; T182-F186 PolarHBondContact O-N 2.91Å
183E96.4Very high97.1Very high67 Ų6739.8 Ų39.831%0.31322%0.216SC..Hα-helixtrans-58.8-49.2175.6175.6-179.7-179.300111.6P173 H179 P180 L185 F186 Y187P173-E183 HydrophobicContact CB-CB 4.02Å; P173-E183 HydrophobicContact CB-CG 4Å; P173-E183 HydrophobicContact CG-CB 4.35Å; P173-E183 HydrophobicContact CG-CG 4.02Å; H179-E183 PolarHBondContact O-N 3.24Å; P180-E183 WeakPolarHBondContact O-CB 3.27Å; P180-E183 PolarHBondContact O-N 3.13Å; E183-L185 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.31Å; E183-F186 WeakPolarHBondContact O-CB 3.19Å; E183-F186 PolarHBondContact O-N 2.85Å; E183-Y187 HydrophobicContact CG-CD2 4.15Å; E183-Y187 HydrophobicContact CG-CE1 4.27Å; E183-Y187 HydrophobicContact CG-CE2 3.44Å; E183-Y187 VanDerWaalsContact CG-CE2 3.44Å; E183-Y187 WeakPolarHBondContact CG-OH 3.39Å; E183-Y187 PolarHBondContact O-N 3.41Å; E183-Y187 WeakPolarHBondContact OE1-CE2 3.13Å; E183-Y187 VanDerWaalsContact OE1-CZ 3.31Å; E183-Y187 PolarHBondContact OE1-OH 2.88Å
184M96.7Very high97.2Very high31 Ų3141.3 Ų41.315%0.15323%0.226CC..Hα-helixtrans-59.6-44.5177.1-69.9176.464.900111.8I10 L17 F22 F26 P180 Y187 V188I10-M184 HydrophobicContact CG2-CE 4.38Å; I10-M184 HydrophobicContact CG2-SD 4.39Å; L17-M184 HydrophobicContact CD2-CE 4.49Å; F22-M184 HydrophobicContact CZ-CE 3.92Å; F22-M184 HydrophobicContact CZ-SD 4.49Å; F26-M184 HydrophobicContact CE2-CE 4.17Å; F26-M184 HydrophobicContact CZ-CB 4.39Å; F26-M184 HydrophobicContact CZ-CE 4.41Å; P180-M184 WeakPolarHBondContact O-CG 3.47Å; P180-M184 PolarHBondContact O-N 2.86Å; M184-Y187 PolarHBondContact O-N 3.07Å; M184-V188 WeakPolarHBondContact O-CG2 3.14Å; M184-V188 PolarHBondContact O-N 3.27Å
185L98.3Very high97.4Very high61 Ų6137 Ų3732%0.31920%0.204SC..Hα-helixtrans-65.1-41.2177.7179.659.5000111.8L107 V111 L181 T182 E183 V188 L189L107-L185 HydrophobicContact CD1-CD2 4.32Å; L107-L185 HydrophobicContact CD2-CD2 3.62Å; L107-L185 HydrophobicContact CG-CD2 4.23Å; V111-L185 HydrophobicContact CG2-CB 4.44Å; V111-L185 HydrophobicContact CG2-CD2 4.04Å; V111-L185 HydrophobicContact CG2-CG 4.18Å; L181-L185 WeakPolarHBondContact O-CB 3.34Å; L181-L185 PolarHBondContact O-N 3.34Å; T182-L185 PolarHBondContact O-N 2.77Å; E183-L185 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.31Å; L185-V188 PolarHBondContact O-N 3.16Å; L185-L189 HydrophobicContact CD1-CD1 4.18Å; L185-L189 HydrophobicContact CD1-CG 4.22Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.24Å
186F98.6Very high97.5Very high0 Ų031.1 Ų31.10%017%0.173CC..Hα-helixtrans-58.7-46.8173.9164-111.1000111.1C114 L115 F118 S169 P173 T182 E183 V188 L189 N190C114-F186 HydrophobicContact CB-CB 4.37Å; C114-F186 HydrophobicContact CB-CD1 4.06Å; C114-F186 HydrophobicContact CB-CD2 3.4Å; C114-F186 VanDerWaalsContact CB-CD2 3.4Å; C114-F186 HydrophobicContact CB-CE1 4.22Å; C114-F186 HydrophobicContact CB-CE2 3.6Å; C114-F186 HydrophobicContact CB-CG 3.65Å; C114-F186 HydrophobicContact CB-CZ 4.02Å; L115-F186 HydrophobicContact CD2-CD2 4.09Å; L115-F186 HydrophobicContact CD2-CE2 3.89Å; L115-F186 HydrophobicContact CG-CD2 4.05Å; L115-F186 HydrophobicContact CG-CE2 4.11Å; F118-F186 HydrophobicContact CB-CE2 4.41Å; F118-F186 HydrophobicContact CB-CZ 4.08Å; F118-F186 HydrophobicContact CG-CZ 4.39Å; S169-F186 WeakPolarHBondContact O-CE1 3.49Å; P173-F186 HydrophobicContact CG-CD1 3.85Å; P173-F186 HydrophobicContact CG-CE1 4.2Å; T182-F186 WeakPolarHBondContact O-CB 3.19Å; T182-F186 PolarHBondContact O-N 2.91Å; E183-F186 WeakPolarHBondContact O-CB 3.19Å; E183-F186 PolarHBondContact O-N 2.85Å; F186-V188 PolarHBondContact O-N 2.99Å; F186-L189 PolarHBondContact O-N 3.02Å; F186-N190 HydrophobicContact CE2-CB 4.13Å; F186-N190 HydrophobicContact CZ-CB 4.3Å; F186-N190 VanDerWaalsContact O-CB 3.25Å; F186-N190 WeakPolarHBondContact O-CB 3.39Å; F186-N190 PolarHBondContact O-N 3.14Å
187Y98.4Very high97.5Very high46 Ų4628.7 Ų28.718%0.1816%0.16CC..Hα-helixtrans-61.5-43.9177-65.5-23.5000112.7F26 S169 S170 P173 E183 M184 L189 N190 I191F26-Y187 HydrophobicContact CE1-CD2 4.43Å; S169-Y187 WeakPolarHBondContact O-CE1 3.5Å; S170-Y187 WeakPolarHBondContact CA-OH 3.12Å; P173-Y187 HydrophobicContact CG-CE1 4.47Å; E183-Y187 HydrophobicContact CG-CD2 4.15Å; E183-Y187 HydrophobicContact CG-CE1 4.27Å; E183-Y187 HydrophobicContact CG-CE2 3.44Å; E183-Y187 VanDerWaalsContact CG-CE2 3.44Å; E183-Y187 WeakPolarHBondContact CG-OH 3.39Å; E183-Y187 PolarHBondContact O-N 3.41Å; E183-Y187 WeakPolarHBondContact OE1-CE2 3.13Å; E183-Y187 VanDerWaalsContact OE1-CZ 3.31Å; E183-Y187 PolarHBondContact OE1-OH 2.88Å; M184-Y187 PolarHBondContact O-N 3.07Å; Y187-L189 VanDerWaalsContact C-N 3.34Å; Y187-L189 PolarHBondContact O-N 3.08Å; Y187-N190 PolarHBondContact O-N 2.98Å; Y187-I191 WeakPolarHBondContact O-CB 3.41Å; Y187-I191 WeakPolarHBondContact O-CD1 3.26Å; Y187-I191 WeakPolarHBondContact O-CG1 3.24Å; Y187-I191 PolarHBondContact O-N 3.3Å
188V98.7Very high97.7Very high40 Ų4026.4 Ų26.424%0.24214%0.135CC..Hα-helixtrans-58.9-48.3176.4172.70000110.6F26 V30 F34 M184 L185 F186 W192F26-V188 HydrophobicContact CE1-CG2 4.45Å; F26-V188 HydrophobicContact CE2-CG2 4.34Å; F26-V188 HydrophobicContact CZ-CG2 3.64Å; V30-V188 HydrophobicContact CG1-CG1 4.46Å; V30-V188 HydrophobicContact CG1-CG2 4.34Å; V30-V188 HydrophobicContact CG2-CG2 4.32Å; F34-V188 HydrophobicContact CE2-CG1 3.94Å; F34-V188 WeakPolarHBondContact CE2-O 3.24Å; F34-V188 HydrophobicContact CZ-CG1 3.69Å; M184-V188 WeakPolarHBondContact O-CG2 3.14Å; M184-V188 PolarHBondContact O-N 3.27Å; L185-V188 PolarHBondContact O-N 3.16Å; F186-V188 PolarHBondContact O-N 2.99Å; V188-W192 WeakPolarHBondContact O-CB 3.49Å; V188-W192 PolarHBondContact O-N 2.93Å
189L98.4Very high97.8Very high61 Ų6125.5 Ų25.532%0.31913%0.129SC..Hα-helixtrans-63.3-48.1178.2-69.7170.9000111.2V111 L185 F186 Y187 I191 W192 L193V111-L189 HydrophobicContact CG1-CD1 3.52Å; L185-L189 HydrophobicContact CD1-CD1 4.18Å; L185-L189 HydrophobicContact CD1-CG 4.22Å; L185-L189 HydrophobicContact CG-CD1 4.06Å; L185-L189 WeakPolarHBondContact O-CG 3.4Å; L185-L189 PolarHBondContact O-N 3.24Å; F186-L189 PolarHBondContact O-N 3.02Å; Y187-L189 VanDerWaalsContact C-N 3.34Å; Y187-L189 PolarHBondContact O-N 3.08Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 2.97Å; L189-W192 WeakPolarHBondContact O-CB 3.5Å; L189-W192 PolarHBondContact O-N 2.84Å; L189-W192 VanDerWaalsContact O-N 3.08Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.46Å; L189-L193 PolarHBondContact O-N 3.09Å
190N98.6Very high97.8Very high13 Ų1324.9 Ų24.97%0.0713%0.126CC..Hα-helixtrans-59.8-41.3-179-156.560.1000112.2F118 F186 Y187 S194 Y236F118-N190 VanDerWaalsContact CD1-OD1 3.26Å; F118-N190 WeakPolarHBondContact CD1-OD1 3.28Å; F118-N190 WeakPolarHBondContact CE1-ND2 3.2Å; F118-N190 WeakPolarHBondContact CE1-OD1 3.43Å; F118-N190 WeakPolarHBondContact CZ-ND2 3.35Å; F186-N190 HydrophobicContact CE2-CB 4.13Å; F186-N190 HydrophobicContact CZ-CB 4.3Å; F186-N190 VanDerWaalsContact O-CB 3.25Å; F186-N190 WeakPolarHBondContact O-CB 3.39Å; F186-N190 PolarHBondContact O-N 3.14Å; Y187-N190 PolarHBondContact O-N 2.98Å; N190-S194 WeakPolarHBondContact O-CB 3.27Å; N190-S194 PolarHBondContact O-N 3.2Å; N190-Y236 PolarHBondContact O-OH 2.92Å; N190-Y236 WeakPolarHBondContact OD1-CE2 3.25Å; N190-Y236 PolarHBondContact OD1-OH 3.32Å
191I98.6Very high98Very high27 Ų2723.8 Ų23.814%0.13812%0.119CC..Hα-helixtrans-65.6-43.7174.5-64.8165.1000110.4V30 F34 Y187 L189 S194 V195V30-I191 HydrophobicContact CB-CD1 4.24Å; V30-I191 HydrophobicContact CG1-CB 4.25Å; V30-I191 HydrophobicContact CG1-CD1 4.02Å; V30-I191 HydrophobicContact CG1-CG2 4.1Å; F34-I191 HydrophobicContact CD2-CG2 4.09Å; Y187-I191 WeakPolarHBondContact O-CB 3.41Å; Y187-I191 WeakPolarHBondContact O-CD1 3.26Å; Y187-I191 WeakPolarHBondContact O-CG1 3.24Å; Y187-I191 PolarHBondContact O-N 3.3Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 2.97Å; I191-S194 PolarHBondContact O-N 3.22Å; I191-V195 HydrophobicContact CG2-CG2 4.25Å; I191-V195 WeakPolarHBondContact O-CB 3.34Å; I191-V195 VanDerWaalsContact O-CG2 3.31Å; I191-V195 WeakPolarHBondContact O-CG2 3.24Å; I191-V195 PolarHBondContact O-N 2.87Å
192W98.6Very high98Very high70 Ų7025.8 Ų25.827%0.26513%0.13SC..Hα-helixtrans-57.4-52.2175.7169.1-97000111.8F34 F38 V188 L189 S194 V195 E196F34-W192 HydrophobicContact CB-CE3 4.09Å; F34-W192 HydrophobicContact CB-CZ3 4.46Å; F34-W192 AromaticContact CD1-CE3 3.84Å; F34-W192 HydrophobicContact CD1-CE3 3.84Å; F34-W192 HydrophobicContact CD1-CZ3 4.32Å; F34-W192 HydrophobicContact CD2-CB 3.87Å; F34-W192 HydrophobicContact CD2-CE3 4.1Å; F34-W192 HydrophobicContact CE1-CE3 4.24Å; F34-W192 HydrophobicContact CE2-CB 3.62Å; F34-W192 HydrophobicContact CE2-CE3 4.49Å; F34-W192 AromaticContact CG-CE3 3.77Å; F34-W192 HydrophobicContact CG-CE3 3.77Å; F34-W192 HydrophobicContact CG-CZ3 4.44Å; F34-W192 HydrophobicContact CZ-CB 4.22Å; F38-W192 HydrophobicContact CE2-CH2 4.09Å; F38-W192 HydrophobicContact CE2-CZ3 4.08Å; F38-W192 AromaticContact CZ-CH2 3.94Å; F38-W192 HydrophobicContact CZ-CH2 3.94Å; F38-W192 HydrophobicContact CZ-CZ3 4.4Å; V188-W192 WeakPolarHBondContact O-CB 3.49Å; V188-W192 PolarHBondContact O-N 2.93Å; L189-W192 WeakPolarHBondContact O-CB 3.5Å; L189-W192 PolarHBondContact O-N 2.84Å; L189-W192 VanDerWaalsContact O-N 3.08Å; W192-S194 VanDerWaalsContact C-N 3.29Å; W192-S194 PolarHBondContact O-N 2.92Å; W192-V195 PolarHBondContact O-N 2.94Å; W192-E196 HydrophobicContact CZ2-CB 4.3Å; W192-E196 HydrophobicContact CZ2-CG 4.3Å; W192-E196 PolarHBondContact NE1-OE2 3.39Å; W192-E196 WeakPolarHBondContact O-CB 3.28Å; W192-E196 PolarHBondContact O-N 3.44Å
193L98.3Very high98Very high20 Ų2026.3 Ų26.311%0.10513%0.133CC..Hα-helixtrans-59.2-44.7-178.6-56.9173.5000110.1L115 L189 V195 E196 D197 Y216 Y236L115-L193 HydrophobicContact CD2-CD1 3.67Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.46Å; L189-L193 PolarHBondContact O-N 3.09Å; L193-V195 PolarHBondContact O-N 3.22Å; L193-E196 PolarHBondContact O-N 3.49Å; L193-D197 WeakPolarHBondContact O-CB 3.45Å; L193-D197 PolarHBondContact O-N 3.03Å; L193-Y216 HydrophobicContact CD2-CE1 4.45Å; L193-Y216 WeakPolarHBondContact CD2-OH 3.39Å; L193-Y236 HydrophobicContact CB-CD1 3.83Å; L193-Y236 HydrophobicContact CB-CE1 3.45Å; L193-Y236 VanDerWaalsContact CB-CE1 3.45Å; L193-Y236 HydrophobicContact CD1-CD1 4.31Å; L193-Y236 HydrophobicContact CD1-CD2 4.05Å; L193-Y236 HydrophobicContact CD1-CE1 4.32Å; L193-Y236 HydrophobicContact CD1-CE2 4.01Å; L193-Y236 HydrophobicContact CD1-CG 4.2Å
194S98.4Very high97.9Very high34 Ų3426.6 Ų26.624%0.23814%0.14CC..Hα-helixtrans-60.7-46176.7-163.40000112.5T154 N190 I191 W192 D197 H198T154-S194 WeakPolarHBondContact CG2-OG 3.48Å; N190-S194 WeakPolarHBondContact O-CB 3.27Å; N190-S194 PolarHBondContact O-N 3.2Å; I191-S194 PolarHBondContact O-N 3.22Å; W192-S194 VanDerWaalsContact C-N 3.29Å; W192-S194 PolarHBondContact O-N 2.92Å; S194-D197 PolarHBondContact O-N 3.49Å; S194-H198 PolarHBondContact O-N 3.5Å; S194-H198 PolarHBondContact O-ND1 2.76Å
195V98.8Very high97.8Very high0 Ų033.8 Ų33.80%017%0.166CC..Hα-helixtrans-64.1-42.7177.3169.50000111.6Y31 F34 F38 A151 T154 I191 W192 L193 H198 C199Y31-V195 HydrophobicContact CD2-CG2 3.63Å; Y31-V195 HydrophobicContact CE2-CG2 3.94Å; F34-V195 HydrophobicContact CB-CB 4.32Å; F34-V195 HydrophobicContact CB-CG1 4.09Å; F34-V195 HydrophobicContact CB-CG2 4.27Å; F38-V195 HydrophobicContact CD2-CG1 3.98Å; F38-V195 HydrophobicContact CE2-CG1 3.98Å; A151-V195 HydrophobicContact CB-CG1 4.07Å; T154-V195 HydrophobicContact CG2-CG2 4.18Å; T154-V195 WeakPolarHBondContact OG1-CA 3.24Å; I191-V195 HydrophobicContact CG2-CG2 4.25Å; I191-V195 WeakPolarHBondContact O-CB 3.34Å; I191-V195 VanDerWaalsContact O-CG2 3.31Å; I191-V195 WeakPolarHBondContact O-CG2 3.24Å; I191-V195 PolarHBondContact O-N 2.87Å; W192-V195 PolarHBondContact O-N 2.94Å; L193-V195 PolarHBondContact O-N 3.22Å; V195-H198 PolarHBondContact O-N 2.89Å; V195-C199 PolarHBondContact O-N 3.1Å; V195-C199 VanDerWaalsContact O-N 3.08Å
196E98.4Very high97.6Very high4 Ų431 Ų312%0.01915%0.151CC..Hα-helixtrans-64.7-41.5178.9-170.2178.7-173.300111.3W192 L193 H198 C199 S206 T207 A219W192-E196 HydrophobicContact CZ2-CB 4.3Å; W192-E196 HydrophobicContact CZ2-CG 4.3Å; W192-E196 PolarHBondContact NE1-OE2 3.39Å; W192-E196 WeakPolarHBondContact O-CB 3.28Å; W192-E196 PolarHBondContact O-N 3.44Å; L193-E196 PolarHBondContact O-N 3.49Å; E196-H198 PolarHBondContact O-N 2.96Å; E196-C199 WeakPolarHBondContact O-CB 3.39Å; E196-C199 PolarHBondContact O-N 3.41Å; E196-C199 PolarHBondContact O-SG 3.05Å; E196-S206 WeakPolarHBondContact OE1-CA 3.29Å; E196-S206 VanDerWaalsContact OE1-CB 3.3Å; E196-S206 WeakPolarHBondContact OE1-CB 3.36Å; E196-T207 PolarHBondContact OE1-N 3.3Å; E196-T207 PolarHBondContact OE1-OG1 2.98Å; E196-T207 VanDerWaalsContact OE2-CB 3.29Å; E196-T207 WeakPolarHBondContact OE2-CB 3.3Å; E196-T207 WeakPolarHBondContact OE2-CG2 3.4Å; E196-T207 PolarHBondContact OE2-OG1 3.39Å; E196-A219 VanDerWaalsContact O-CB 3.28Å; E196-A219 WeakPolarHBondContact O-CB 3.25Å
197D97.8Very high97.5Very high4 Ų432 Ų322%0.02116%0.157CC..Hα-helixtrans-60-28.5177-71.4-27.3000112.8L193 S194 G218 A219 H222 P235 Y236L193-D197 WeakPolarHBondContact O-CB 3.45Å; L193-D197 PolarHBondContact O-N 3.03Å; S194-D197 PolarHBondContact O-N 3.49Å; D197-G218 WeakPolarHBondContact OD1-CA 3.08Å; D197-A219 WeakPolarHBondContact O-CA 3.29Å; D197-H222 HydrophobicContact CB-CB 3.97Å; D197-P235 VanDerWaalsContact OD2-O 3.1Å; D197-Y236 WeakPolarHBondContact OD2-CD1 3.18Å; D197-Y236 WeakPolarHBondContact OD2-CE1 3.36Å
198H98.4Very high97.3Very high8 Ų831.3 Ų31.34%0.03716%0.156CC..THydrogen-bonded Turntrans-97.6-0.3177.2-64.982.4000113.7H143 T149 F150 A151 T154 S194 V195 E196 G200 H222 H226H143-H198 AromaticContact CE1-CE1 3.88Å; H143-H198 AromaticContact CE1-NE2 3.04Å; H143-H198 PolarHBondContact CE1-NE2 3.11Å; H143-H198 AromaticContact NE2-NE2 3.4Å; H143-H198 PolarHBondContact NE2-NE2 3.31Å; T149-H198 CarbonylContact C-O 3.37Å; T149-H198 WeakPolarHBondContact CB-O 3.45Å; F150-H198 CarbonylContact C-O 3.49Å; F150-H198 WeakPolarHBondContact CA-O 2.95Å; F150-H198 PolarHBondContact N-O 3.31Å; A151-H198 PolarHBondContact N-O 2.9Å; T154-H198 VanDerWaalsContact OG1-CB 3.32Å; T154-H198 WeakPolarHBondContact OG1-CB 3.43Å; S194-H198 PolarHBondContact O-N 3.5Å; S194-H198 PolarHBondContact O-ND1 2.76Å; V195-H198 PolarHBondContact O-N 2.89Å; E196-H198 PolarHBondContact O-N 2.96Å; H198-G200 PolarHBondContact O-N 2.89Å; H198-H222 AromaticContact CD2-CD2 3.66Å; H198-H222 AromaticContact CD2-NE2 3.45Å; H198-H222 PolarHBondContact CD2-NE2 3.49Å; H198-H222 AromaticContact CE1-CD2 3.55Å; H198-H222 AromaticContact CE1-NE2 3.14Å; H198-H222 PolarHBondContact CE1-NE2 3.19Å; H198-H222 AromaticContact CG-CD2 3.92Å; H198-H222 AromaticContact ND1-CD2 3.84Å; H198-H222 AromaticContact ND1-NE2 3.89Å; H198-H222 AromaticContact NE2-CD2 3.45Å; H198-H222 PolarHBondContact NE2-CD2 2.93Å; H198-H222 AromaticContact NE2-CE1 3.94Å; H198-H222 AromaticContact NE2-NE2 2.82Å; H198-H222 PolarHBondContact NE2-NE2 2.94Å; H198-H226 AromaticContact CD2-NE2 3.8Å; H198-H226 AromaticContact NE2-NE2 3.64Å
199C98Very high97.1Very high0 Ų034.7 Ų34.70%016%0.164CC..SBendtrans-64.7-20-16673.60000113.7F38 V195 E196 Y201F38-C199 HydrophobicContact CB-CB 4.39Å; F38-C199 HydrophobicContact CD1-CB 3.46Å; F38-C199 VanDerWaalsContact CD1-CB 3.46Å; F38-C199 HydrophobicContact CD2-CB 3.92Å; F38-C199 HydrophobicContact CE1-CB 3.5Å; F38-C199 HydrophobicContact CE2-CB 3.98Å; F38-C199 HydrophobicContact CG-CB 3.67Å; F38-C199 HydrophobicContact CZ-CB 3.77Å; V195-C199 PolarHBondContact O-N 3.1Å; V195-C199 VanDerWaalsContact O-N 3.08Å; E196-C199 WeakPolarHBondContact O-CB 3.39Å; E196-C199 PolarHBondContact O-N 3.41Å; E196-C199 PolarHBondContact O-SG 3.05Å; C199-Y201 WeakPolarHBondContact O-CD2 3.46Å; C199-Y201 PolarHBondContact O-N 3.28Å; C199-Y201 PolarHBondContact SG-N 3.38Å; C199-Y201 VanDerWaalsContact SG-N 3.4Å; C199-Y201 PolarHBondContact SG-O 3.31Å
200G97.3Very high96.9Very high3 Ų338.4 Ų38.43%0.03118%0.184CC..  trans75.710.4-178.600000113.7K55 I56 T149 H198K55-G200 VanDerWaalsContact CD-O 3.3Å; K55-G200 WeakPolarHBondContact CD-O 3.44Å; I56-G200 PolarHBondContact N-O 2.55Å; I56-G200 VanDerWaalsContact N-O 3.1Å; T149-G200 WeakPolarHBondContact O-CA 3.44Å; H198-G200 PolarHBondContact O-N 2.89Å
201Y97.6Very high96.6Very high0 Ų040 Ų400%019%0.194CC..BIsolated β-bridgetrans-123.6139.5178.9-64.2-88000111.6F38 L41 D42 I51 F54 K55 C199 A219F38-Y201 HydrophobicContact CD1-CD2 4.14Å; L41-Y201 HydrophobicContact CB-CE1 4.14Å; L41-Y201 HydrophobicContact CB-CE2 3.85Å; L41-Y201 HydrophobicContact CD1-CD2 4.28Å; L41-Y201 HydrophobicContact CD1-CE2 4.34Å; L41-Y201 HydrophobicContact CD1-CG 4.4Å; L41-Y201 PolarHBondContact O-OH 3.06Å; D42-Y201 VanDerWaalsContact CA-OH 3.29Å; D42-Y201 WeakPolarHBondContact CA-OH 3.43Å; D42-Y201 PolarHBondContact N-OH 3.42Å; D42-Y201 VanDerWaalsContact N-OH 3.12Å; D42-Y201 WeakPolarHBondContact OD1-CE2 3.46Å; D42-Y201 PolarHBondContact OD1-OH 2.79Å; I51-Y201 HydrophobicContact CG2-CE1 3.81Å; F54-Y201 HydrophobicContact CB-CD1 4.11Å; F54-Y201 CarbonylContact O-C 3.52Å; F54-Y201 VanDerWaalsContact O-CA 3.29Å; F54-Y201 WeakPolarHBondContact O-CA 3.33Å; K55-Y201 HydrophobicContact CD-CD1 3.91Å; K55-Y201 HydrophobicContact CD-CE1 3.51Å; K55-Y201 HydrophobicContact CD-CE2 4.28Å; K55-Y201 HydrophobicContact CD-CG 4.45Å; K55-Y201 WeakPolarHBondContact CE-OH 3.36Å; K55-Y201 HydrophobicContact CG-CD1 4.25Å; K55-Y201 HydrophobicContact CG-CE1 3.81Å; K55-Y201 PolarHBondContact NZ-OH 2.8Å; C199-Y201 WeakPolarHBondContact O-CD2 3.46Å; C199-Y201 PolarHBondContact O-N 3.28Å; C199-Y201 PolarHBondContact SG-N 3.38Å; C199-Y201 VanDerWaalsContact SG-N 3.4Å; C199-Y201 PolarHBondContact SG-O 3.31Å; Y201-A219 WeakPolarHBondContact O-CB 3.5Å
202D97.1Very high96.1Very high53 Ų5342.5 Ų42.528%0.28321%0.212SC..  trans-104.887.7165.3-175.117.5000109F54 I56 H208 R209 P220F54-D202 PolarHBondContact O-N 2.88Å; I56-D202 HydrophobicContact CG1-CB 3.97Å; D202-H208 IonicContact OD1-CE1 3.22Å; D202-H208 PolarHBondContact OD1-CE1 3.48Å; D202-H208 VanDerWaalsContact OD1-CE1 3.22Å; D202-H208 IonicContact OD1-NE2 3.83Å; D202-R209 VanDerWaalsContact CG-NH2 3.25Å; D202-R209 IonicContact OD1-CZ 3.17Å; D202-R209 IonicContact OD1-NH1 2.73Å; D202-R209 PolarHBondContact OD1-NH1 3.37Å; D202-R209 IonicContact OD1-NH2 2.71Å; D202-R209 PolarHBondContact OD1-NH2 2.79Å; D202-R209 IonicContact OD2-NH2 3.17Å; D202-R209 PolarHBondContact OD2-NH2 3.42Å; D202-R209 VanDerWaalsContact OD2-NH2 3.17Å; D202-P220 HydrophobicContact CB-CG 4.16Å
203L96.7Very high95.8Very high10 Ų1047.5 Ų47.55%0.05224%0.236CC..  trans-86.8150.6-176.4-63.7170.3000110.5F38 L41 F54 W205 S206 R209F38-L203 HydrophobicContact CE1-CD1 3.97Å; L41-L203 HydrophobicContact CD1-CD1 4.2Å; L41-L203 HydrophobicContact CD1-CD2 4.46Å; F54-L203 HydrophobicContact CB-CD2 3.85Å; F54-L203 HydrophobicContact CD1-CD2 4.49Å; F54-L203 HydrophobicContact CD2-CD2 4.04Å; F54-L203 HydrophobicContact CG-CD2 3.89Å; L203-W205 HydrophobicContact CB-CD2 4.25Å; L203-W205 HydrophobicContact CB-CG 4.46Å; L203-W205 HydrophobicContact CB-CZ2 4.19Å; L203-W205 HydrophobicContact CD1-CZ2 4.01Å; L203-W205 HydrophobicContact CD2-CZ2 4.1Å; L203-W205 HydrophobicContact CG-CZ2 4.33Å; L203-W205 PolarHBondContact O-N 2.82Å; L203-S206 PolarHBondContact N-OG 2.91Å; L203-S206 VanDerWaalsContact N-OG 3.08Å; L203-S206 WeakPolarHBondContact O-CB 3.47Å; L203-S206 PolarHBondContact O-N 3.49Å; L203-S206 PolarHBondContact O-OG 2.78Å; L203-R209 VanDerWaalsContact O-CZ 3.25Å; L203-R209 PolarHBondContact O-NH1 2.77Å
204P94.9Very high95.4Very high73 Ų7348.4 Ų48.447%0.47425%0.25SS..THydrogen-bonded Turntrans-56.7-21.9-179.9-25.734.8000114.9F54 R209F54-P204 HydrophobicContact CD1-CG 4.45Å; F54-P204 HydrophobicContact CE1-CG 3.66Å; F54-P204 HydrophobicContact CZ-CG 4.07Å; P204-R209 WeakPolarHBondContact O-CD 3.33Å
205W93.7Very high95.2Very high183 Ų18349.7 Ų49.769%0.69325%0.254SS*.THydrogen-bonded Turntrans-107.211179.552.479.5000113.6L203 T207L203-W205 HydrophobicContact CB-CD2 4.25Å; L203-W205 HydrophobicContact CB-CG 4.46Å; L203-W205 HydrophobicContact CB-CZ2 4.19Å; L203-W205 HydrophobicContact CD1-CZ2 4.01Å; L203-W205 HydrophobicContact CD2-CZ2 4.1Å; L203-W205 HydrophobicContact CG-CZ2 4.33Å; L203-W205 PolarHBondContact O-N 2.82Å; W205-T207 PolarHBondContact O-N 2.85Å
206S95.2Very high95.1Very high1 Ų150.5 Ų50.51%0.00726%0.257CS..  trans-60.2139.3177.1-61.50000111.1E196 L203 H208 R209E196-S206 WeakPolarHBondContact OE1-CA 3.29Å; E196-S206 VanDerWaalsContact OE1-CB 3.3Å; E196-S206 WeakPolarHBondContact OE1-CB 3.36Å; L203-S206 PolarHBondContact N-OG 2.91Å; L203-S206 VanDerWaalsContact N-OG 3.08Å; L203-S206 WeakPolarHBondContact O-CB 3.47Å; L203-S206 PolarHBondContact O-N 3.49Å; L203-S206 PolarHBondContact O-OG 2.78Å; S206-H208 PolarHBondContact O-N 3.11Å; S206-H208 VanDerWaalsContact O-N 3.15Å; S206-R209 WeakPolarHBondContact O-CB 3.5Å; S206-R209 PolarHBondContact O-N 3.2Å; S206-R209 VanDerWaalsContact O-N 3.1Å
207T94.9Very high95Very high21 Ų2150.7 Ų50.713%0.12926%0.261CS..G310 helixtrans-64.5-22.3-166.956.10000114.4E196 W205 R209 L210 Y216E196-T207 PolarHBondContact OE1-N 3.3Å; E196-T207 PolarHBondContact OE1-OG1 2.98Å; E196-T207 VanDerWaalsContact OE2-CB 3.29Å; E196-T207 WeakPolarHBondContact OE2-CB 3.3Å; E196-T207 WeakPolarHBondContact OE2-CG2 3.4Å; E196-T207 PolarHBondContact OE2-OG1 3.39Å; W205-T207 PolarHBondContact O-N 2.85Å; T207-R209 PolarHBondContact O-N 3.45Å; T207-L210 HydrophobicContact CG2-CD1 4.19Å; T207-L210 WeakPolarHBondContact O-CB 3.34Å; T207-L210 VanDerWaalsContact O-CG 3.24Å; T207-L210 WeakPolarHBondContact O-CG 3.48Å; T207-L210 PolarHBondContact O-N 3.09Å; T207-Y216 VanDerWaalsContact C-CE1 3.47Å; T207-Y216 VanDerWaalsContact O-CD1 3.27Å; T207-Y216 WeakPolarHBondContact O-CD1 3.37Å; T207-Y216 WeakPolarHBondContact O-CE1 3.49Å; T207-Y216 WeakPolarHBondContact OG1-CE1 3.45Å; T207-Y216 VanDerWaalsContact OG1-CZ 3.27Å; T207-Y216 PolarHBondContact OG1-OH 2.77Å
208H95.1Very high94.9Very high32 Ų3250.6 Ų50.615%0.14826%0.26CS..G310 helixtrans-60.2-17.9174.174.9-95000114D202 S206 L210 Y216D202-H208 IonicContact OD1-CE1 3.22Å; D202-H208 PolarHBondContact OD1-CE1 3.48Å; D202-H208 VanDerWaalsContact OD1-CE1 3.22Å; D202-H208 IonicContact OD1-NE2 3.83Å; S206-H208 PolarHBondContact O-N 3.11Å; S206-H208 VanDerWaalsContact O-N 3.15Å; H208-L210 VanDerWaalsContact C-N 3.28Å; H208-Y216 VanDerWaalsContact CA-CD1 3.48Å; H208-Y216 HydrophobicContact CB-CD1 4.38Å; H208-Y216 HydrophobicContact CB-CD2 4.14Å; H208-Y216 HydrophobicContact CB-CG 4.02Å
209R94.8Very high94.9Very high111 Ų11150.2 Ų50.242%0.41926%0.259SS..G310 helixtrans-76.1-12.8172.8-64175.6170.471.25.3113.5D202 L203 P204 S206 T207D202-R209 VanDerWaalsContact CG-NH2 3.25Å; D202-R209 IonicContact OD1-CZ 3.17Å; D202-R209 IonicContact OD1-NH1 2.73Å; D202-R209 PolarHBondContact OD1-NH1 3.37Å; D202-R209 IonicContact OD1-NH2 2.71Å; D202-R209 PolarHBondContact OD1-NH2 2.79Å; D202-R209 IonicContact OD2-NH2 3.17Å; D202-R209 PolarHBondContact OD2-NH2 3.42Å; D202-R209 VanDerWaalsContact OD2-NH2 3.17Å; L203-R209 VanDerWaalsContact O-CZ 3.25Å; L203-R209 PolarHBondContact O-NH1 2.77Å; P204-R209 WeakPolarHBondContact O-CD 3.33Å; S206-R209 WeakPolarHBondContact O-CB 3.5Å; S206-R209 PolarHBondContact O-N 3.2Å; S206-R209 VanDerWaalsContact O-N 3.1Å; T207-R209 PolarHBondContact O-N 3.45Å
210L93.9Very high94.8Very high140 Ų14051.7 Ų51.773%0.73327%0.268SS*.G310 helixtrans-74.7-26.5-179.9-61.2174.5000112.8T207 H208T207-L210 HydrophobicContact CG2-CD1 4.19Å; T207-L210 WeakPolarHBondContact O-CB 3.34Å; T207-L210 VanDerWaalsContact O-CG 3.24Å; T207-L210 WeakPolarHBondContact O-CG 3.48Å; T207-L210 PolarHBondContact O-N 3.09Å; H208-L210 VanDerWaalsContact C-N 3.28Å
211V92.4Very high94.7Very high45 Ų4552.3 Ų52.327%0.27327%0.27SS..SBendtrans-109.9118.6-179.8-172.90000109.3L215 Y216 F237V211-L215 HydrophobicContact CG1-CB 3.81Å; V211-Y216 HydrophobicContact CG2-CD1 4.05Å; V211-Y216 HydrophobicContact CG2-CG 4.46Å; V211-F237 HydrophobicContact CG2-CE1 4.37Å
212P88.9Confident94.8Very high81 Ų8152.9 Ų52.953%0.52627%0.273SS..G310 helixtrans-68.2174.1-175.529-35.5000112.6G214 L215P212-G214 PolarHBondContact O-N 2.99Å; P212-G214 VanDerWaalsContact O-N 3.13Å; P212-L215 PolarHBondContact O-N 3.28Å
213F91.2Very high94.8Very high174 Ų17450.5 Ų50.576%0.76326%0.26SS*.G310 helixtrans64.513.5175.2-43.6-65.3000115.2L215 R242F213-L215 VanDerWaalsContact C-N 3.25Å; F213-L215 HydrophobicContact CB-CG 4.31Å; F213-L215 PolarHBondContact O-N 3.4Å; F213-R242 PolarHBondContact O-NH2 3.15Å
214G90.7Very high94.7Very high40 Ų4051.5 Ų51.541%0.41227%0.265SS..G310 helixtrans64.132-17700000112.3P212 Y216 T238 R242P212-G214 PolarHBondContact O-N 2.99Å; P212-G214 VanDerWaalsContact O-N 3.13Å; G214-Y216 VanDerWaalsContact C-N 3.33Å; G214-T238 PolarHBondContact O-OG1 3.39Å; G214-R242 PolarHBondContact O-NH2 3.31Å
215L94.4Very high94.8Very high61 Ų6148 Ų4832%0.31924%0.242SC..THydrogen-bonded Turntrans-79.1-19.5176.5-71.5173.6000112.5V211 P212 F213 F237 T238 H239V211-L215 HydrophobicContact CG1-CB 3.81Å; P212-L215 PolarHBondContact O-N 3.28Å; F213-L215 VanDerWaalsContact C-N 3.25Å; F213-L215 HydrophobicContact CB-CG 4.31Å; F213-L215 PolarHBondContact O-N 3.4Å; L215-F237 CarbonylContact O-C 3.6Å; L215-F237 WeakPolarHBondContact O-CA 3.43Å; L215-T238 PolarHBondContact O-N 2.98Å; L215-H239 HydrophobicContact CD2-CB 4.35Å
216Y95.8Very high95Very high16 Ų1639.3 Ų39.36%0.06321%0.209CC..BIsolated β-bridgetrans-104.1123.8167.5-171.6177.7000108L193 T207 H208 V211 G214 Y236 F237L193-Y216 HydrophobicContact CD2-CE1 4.45Å; L193-Y216 WeakPolarHBondContact CD2-OH 3.39Å; T207-Y216 VanDerWaalsContact C-CE1 3.47Å; T207-Y216 VanDerWaalsContact O-CD1 3.27Å; T207-Y216 WeakPolarHBondContact O-CD1 3.37Å; T207-Y216 WeakPolarHBondContact O-CE1 3.49Å; T207-Y216 WeakPolarHBondContact OG1-CE1 3.45Å; T207-Y216 VanDerWaalsContact OG1-CZ 3.27Å; T207-Y216 PolarHBondContact OG1-OH 2.77Å; H208-Y216 VanDerWaalsContact CA-CD1 3.48Å; H208-Y216 HydrophobicContact CB-CD1 4.38Å; H208-Y216 HydrophobicContact CB-CD2 4.14Å; H208-Y216 HydrophobicContact CB-CG 4.02Å; V211-Y216 HydrophobicContact CG2-CD1 4.05Å; V211-Y216 HydrophobicContact CG2-CG 4.46Å; G214-Y216 VanDerWaalsContact C-N 3.33Å; Y216-Y236 VanDerWaalsContact CD2-O 3.26Å; Y216-Y236 WeakPolarHBondContact CD2-O 3.48Å; Y216-F237 HydrophobicContact CG-CE1 4.47Å
217G95.8Very high95Very high9 Ų943 Ų439%0.09323%0.229CC..  trans-76.9-50.9-176.900000114H221 Y236G217-H221 VanDerWaalsContact C-CB 3.44Å; G217-H221 WeakPolarHBondContact O-CB 3.45Å; G217-Y236 PolarHBondContact N-O 3.49Å
218G96.5Very high94.9Very high1 Ų146.8 Ų46.81%0.0124%0.243CC..Hα-helixtrans64-166.2-176.600000114.4D197 P220 H221 H222D197-G218 WeakPolarHBondContact OD1-CA 3.08Å; G218-P220 VanDerWaalsContact C-CD 3.48Å; G218-H221 WeakPolarHBondContact O-CB 3.36Å; G218-H221 PolarHBondContact O-N 3.25Å; G218-H222 PolarHBondContact O-N 2.95Å
219A97.3Very high94.8Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-48.8-45178.100000115.1I56 E196 D197 Y201 H221 H222 D223I56-A219 HydrophobicContact CD1-CB 3.68Å; E196-A219 VanDerWaalsContact O-CB 3.28Å; E196-A219 WeakPolarHBondContact O-CB 3.25Å; D197-A219 WeakPolarHBondContact O-CA 3.29Å; Y201-A219 WeakPolarHBondContact O-CB 3.5Å; A219-H221 VanDerWaalsContact C-N 3.32Å; A219-H221 PolarHBondContact O-N 3.22Å; A219-H222 PolarHBondContact O-N 2.79Å; A219-D223 WeakPolarHBondContact O-CB 3.33Å; A219-D223 PolarHBondContact O-N 2.95Å
220P96.2Very high94.7Very high32 Ų3251.2 Ų51.221%0.20827%0.265CS..Hα-helixtrans-63.8-34.9180-23.535.7000113.9I56 D202 G218 M224I56-P220 HydrophobicContact CD1-CG 4.36Å; D202-P220 HydrophobicContact CB-CG 4.16Å; G218-P220 VanDerWaalsContact C-CD 3.48Å; P220-M224 WeakPolarHBondContact O-CB 3.3Å; P220-M224 PolarHBondContact O-N 3.46Å
221H96.8Very high94.8Very high15 Ų1545.1 Ų45.17%0.06923%0.234CC..Hα-helixtrans-68.9-47179.8-179.779.6000111.3G217 G218 A219 M224 H225 N232 A234 D241G217-H221 VanDerWaalsContact C-CB 3.44Å; G217-H221 WeakPolarHBondContact O-CB 3.45Å; G218-H221 WeakPolarHBondContact O-CB 3.36Å; G218-H221 PolarHBondContact O-N 3.25Å; A219-H221 VanDerWaalsContact C-N 3.32Å; A219-H221 PolarHBondContact O-N 3.22Å; H221-M224 PolarHBondContact O-N 2.92Å; H221-H225 PolarHBondContact O-N 3.47Å; H221-N232 WeakPolarHBondContact CE1-CB 3.47Å; H221-N232 PolarHBondContact CE1-OD1 3.32Å; H221-N232 VanDerWaalsContact CE1-OD1 3.28Å; H221-N232 VanDerWaalsContact ND1-CG 3.29Å; H221-N232 PolarHBondContact ND1-ND2 2.92Å; H221-N232 WeakPolarHBondContact NE2-CB 3.03Å; H221-N232 WeakPolarHBondContact O-CB 3.25Å; H221-N232 PolarHBondContact O-ND2 3.12Å; H221-A234 PolarHBondContact CD2-O 3.06Å; H221-A234 PolarHBondContact NE2-O 2.88Å; H221-D241 IonicContact CE1-OD2 3.86Å; H221-D241 PolarHBondContact CE1-OD2 3.49Å; H221-D241 IonicContact NE2-OD2 3.75Å; H221-D241 PolarHBondContact NE2-OD2 2.95Å; H221-D241 VanDerWaalsContact NE2-OD2 3.12Å
222H97.7Very high95.1Very high12 Ų1243 Ų436%0.05622%0.222CC..Hα-helixtrans-75.3-36.5-178-167.758000112.9H143 D197 H198 G218 A219 M224 H225 H226H143-H222 AromaticContact NE2-NE2 3.84Å; D197-H222 HydrophobicContact CB-CB 3.97Å; H198-H222 AromaticContact CD2-CD2 3.66Å; H198-H222 AromaticContact CD2-NE2 3.45Å; H198-H222 PolarHBondContact CD2-NE2 3.49Å; H198-H222 AromaticContact CE1-CD2 3.55Å; H198-H222 AromaticContact CE1-NE2 3.14Å; H198-H222 PolarHBondContact CE1-NE2 3.19Å; H198-H222 AromaticContact CG-CD2 3.92Å; H198-H222 AromaticContact ND1-CD2 3.84Å; H198-H222 AromaticContact ND1-NE2 3.89Å; H198-H222 AromaticContact NE2-CD2 3.45Å; H198-H222 PolarHBondContact NE2-CD2 2.93Å; H198-H222 AromaticContact NE2-CE1 3.94Å; H198-H222 AromaticContact NE2-NE2 2.82Å; H198-H222 PolarHBondContact NE2-NE2 2.94Å; G218-H222 PolarHBondContact O-N 2.95Å; A219-H222 PolarHBondContact O-N 2.79Å; H222-M224 VanDerWaalsContact C-N 3.29Å; H222-M224 PolarHBondContact O-N 3.44Å; H222-H225 WeakPolarHBondContact O-CA 3.37Å; H222-H225 WeakPolarHBondContact O-CB 3.19Å; H222-H225 PolarHBondContact O-N 2.65Å; H222-H226 AromaticContact CD2-CD2 3.68Å; H222-H226 AromaticContact CD2-NE2 3.74Å; H222-H226 AromaticContact CE1-CD2 3.7Å; H222-H226 AromaticContact CE1-NE2 3.53Å; H222-H226 AromaticContact NE2-CD2 3.29Å; H222-H226 PolarHBondContact NE2-CD2 2.87Å; H222-H226 VanDerWaalsContact NE2-CD2 3.29Å; H222-H226 AromaticContact NE2-NE2 2.96Å; H222-H226 PolarHBondContact NE2-NE2 3.09Å; H222-H226 PolarHBondContact O-CD2 2.88Å; H222-H226 PolarHBondContact O-N 3.15Å
223D97.1Very high95.5Very high4 Ų439.5 Ų39.52%0.02120%0.198CC..Hα-helixtrans-61.9-39173-172.3-94.9000111.6I56 Q57 T149 A219 H225 H226 L227I56-D223 HydrophobicContact CD1-CB 4.06Å; I56-D223 HydrophobicContact CG2-CB 4.06Å; I56-D223 WeakPolarHBondContact CG2-OD1 3.21Å; Q57-D223 WeakPolarHBondContact CG-OD1 3.42Å; Q57-D223 VanDerWaalsContact NE2-CG 3.27Å; Q57-D223 PolarHBondContact NE2-OD1 3.26Å; Q57-D223 PolarHBondContact NE2-OD2 3.48Å; Q57-D223 VanDerWaalsContact NE2-OD2 3.13Å; T149-D223 PolarHBondContact N-OD2 3.29Å; T149-D223 PolarHBondContact OG1-OD2 2.91Å; A219-D223 WeakPolarHBondContact O-CB 3.33Å; A219-D223 PolarHBondContact O-N 2.95Å; D223-H225 VanDerWaalsContact C-N 3.28Å; D223-H225 PolarHBondContact O-N 3.09Å; D223-H226 PolarHBondContact O-N 2.62Å; D223-L227 PolarHBondContact O-N 3.04Å
224M96Very high95.8Very high30 Ų3031.2 Ų31.215%0.14816%0.162CC..Hα-helixtrans-63.1-35.1172.4-174.463.36200112.3P220 H221 H222 L227 K228P220-M224 WeakPolarHBondContact O-CB 3.3Å; P220-M224 PolarHBondContact O-N 3.46Å; H221-M224 PolarHBondContact O-N 2.92Å; H222-M224 VanDerWaalsContact C-N 3.29Å; H222-M224 PolarHBondContact O-N 3.44Å; M224-L227 PolarHBondContact O-N 2.89Å; M224-L227 HydrophobicContact SD-CD2 4.37Å; M224-K228 HydrophobicContact CG-CG 4.31Å; M224-K228 WeakPolarHBondContact O-CB 3.31Å; M224-K228 WeakPolarHBondContact O-CG 3.5Å; M224-K228 PolarHBondContact O-N 3.25Å; M224-K228 HydrophobicContact SD-CD 4.48Å; M224-K228 HydrophobicContact SD-CG 3.7Å
225H97.5Very high95.9Very high0 Ų030.2 Ų30.20%015%0.148CC..Hα-helixtrans-60.9-50.4173.1174.670.2000111.5H126 H130 H140 H144 H221 H222 D223 L227 K228 F229 S231 N232 Y233H126-H225 AromaticContact CE1-CD2 3.57Å; H126-H225 AromaticContact CE1-CE1 3.58Å; H126-H225 AromaticContact CE1-NE2 3.3Å; H126-H225 PolarHBondContact CE1-NE2 2.97Å; H126-H225 VanDerWaalsContact CE1-NE2 3.3Å; H126-H225 AromaticContact NE2-CD2 3.67Å; H126-H225 AromaticContact NE2-CE1 3.34Å; H126-H225 PolarHBondContact NE2-CE1 2.93Å; H126-H225 VanDerWaalsContact NE2-CE1 3.34Å; H126-H225 AromaticContact NE2-NE2 2.94Å; H126-H225 PolarHBondContact NE2-NE2 3.43Å; H130-H225 AromaticContact CD2-CE1 3.62Å; H130-H225 AromaticContact CD2-NE2 4Å; H130-H225 AromaticContact CE1-CE1 3.6Å; H130-H225 AromaticContact CE1-NE2 3.61Å; H130-H225 AromaticContact NE2-CE1 3.05Å; H130-H225 PolarHBondContact NE2-CE1 2.87Å; H130-H225 AromaticContact NE2-NE2 3.04Å; H130-H225 PolarHBondContact NE2-NE2 2.86Å; H140-H225 AromaticContact NE2-NE2 3.9Å; H144-H225 AromaticContact CE1-CD2 3.45Å; H144-H225 PolarHBondContact CE1-CD2 3.27Å; H144-H225 VanDerWaalsContact CE1-CD2 3.45Å; H144-H225 AromaticContact CE1-NE2 3.08Å; H144-H225 PolarHBondContact CE1-NE2 2.75Å; H144-H225 AromaticContact NE2-CD2 3.73Å; H144-H225 AromaticContact NE2-NE2 3Å; H144-H225 PolarHBondContact NE2-NE2 2.96Å; H221-H225 PolarHBondContact O-N 3.47Å; H222-H225 WeakPolarHBondContact O-CA 3.37Å; H222-H225 WeakPolarHBondContact O-CB 3.19Å; H222-H225 PolarHBondContact O-N 2.65Å; D223-H225 VanDerWaalsContact C-N 3.28Å; D223-H225 PolarHBondContact O-N 3.09Å; H225-L227 PolarHBondContact O-N 3.45Å; H225-K228 PolarHBondContact O-N 3.49Å; H225-F229 VanDerWaalsContact O-CA 3.29Å; H225-F229 WeakPolarHBondContact O-CA 3.35Å; H225-F229 PolarHBondContact O-N 2.9Å; H225-S231 PolarHBondContact ND1-O 3.2Å; H225-N232 HydrophobicContact CB-CB 4.01Å; H225-N232 VanDerWaalsContact CB-O 3.31Å; H225-N232 WeakPolarHBondContact CB-O 3.39Å; H225-N232 PolarHBondContact ND1-O 2.85Å; H225-Y233 AromaticContact CE1-CD1 3.6Å; H225-Y233 AromaticContact CE1-CE1 3.74Å; H225-Y233 AromaticContact ND1-CD1 3.86Å
226H96.7Very high96Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-59.7-30.3175.7-84.2-97.4000113.3H143 H144 H146 T149 H198 H222 D223 F229H143-H226 AromaticContact CD2-CE1 3.52Å; H143-H226 AromaticContact CD2-NE2 3.71Å; H143-H226 AromaticContact CE1-NE2 3.95Å; H143-H226 AromaticContact NE2-CE1 3.42Å; H143-H226 PolarHBondContact NE2-CE1 2.91Å; H143-H226 AromaticContact NE2-NE2 3.2Å; H143-H226 PolarHBondContact NE2-NE2 3.32Å; H144-H226 AromaticContact ND1-ND1 3.96Å; H146-H226 PolarHBondContact O-ND1 3.48Å; T149-H226 HydrophobicContact CG2-CB 3.85Å; T149-H226 VanDerWaalsContact CG2-CD2 3.44Å; T149-H226 WeakPolarHBondContact CG2-CD2 3.32Å; H198-H226 AromaticContact CD2-NE2 3.8Å; H198-H226 AromaticContact NE2-NE2 3.64Å; H222-H226 AromaticContact CD2-CD2 3.68Å; H222-H226 AromaticContact CD2-NE2 3.74Å; H222-H226 AromaticContact CE1-CD2 3.7Å; H222-H226 AromaticContact CE1-NE2 3.53Å; H222-H226 AromaticContact NE2-CD2 3.29Å; H222-H226 PolarHBondContact NE2-CD2 2.87Å; H222-H226 VanDerWaalsContact NE2-CD2 3.29Å; H222-H226 AromaticContact NE2-NE2 2.96Å; H222-H226 PolarHBondContact NE2-NE2 3.09Å; H222-H226 PolarHBondContact O-CD2 2.88Å; H222-H226 PolarHBondContact O-N 3.15Å; D223-H226 PolarHBondContact O-N 2.62Å; H226-F229 WeakPolarHBondContact O-CE2 3.31Å; H226-F229 WeakPolarHBondContact O-CZ 3.42Å
227L94.7Very high96Very high78 Ų7829 Ų2941%0.40814%0.141SC..Hα-helixtrans-77.6-39.1178.5-17563.1000113.1D223 M224 H225D223-L227 PolarHBondContact O-N 3.04Å; M224-L227 PolarHBondContact O-N 2.89Å; M224-L227 HydrophobicContact SD-CD2 4.37Å; H225-L227 PolarHBondContact O-N 3.45Å
228K93.3Very high96.1Very high101 Ų10128.8 Ų28.844%0.43914%0.137SC..Hα-helixtrans-106.8-21.6-170.2-60.6-67.2-172.2171.90114.2M224 H225 K230M224-K228 HydrophobicContact CG-CG 4.31Å; M224-K228 WeakPolarHBondContact O-CB 3.31Å; M224-K228 WeakPolarHBondContact O-CG 3.5Å; M224-K228 PolarHBondContact O-N 3.25Å; M224-K228 HydrophobicContact SD-CD 4.48Å; M224-K228 HydrophobicContact SD-CG 3.7Å; H225-K228 PolarHBondContact O-N 3.49Å; K228-K230 PolarHBondContact O-N 3.08Å
229F93.1Very high96Very high59 Ų5931.4 Ų31.426%0.25915%0.149SC..SBendtrans61-15.3-179.7-51.9-94.4000116.5H130 H144 T147 H225 H226H130-F229 PolarHBondContact ND1-O 2.92Å; H130-F229 VanDerWaalsContact ND1-O 3.15Å; H144-F229 HydrophobicContact CB-CD1 4.15Å; H144-F229 HydrophobicContact CB-CE1 3.72Å; H144-F229 AromaticContact CE1-CD1 3.78Å; H144-F229 AromaticContact CG-CD1 3.62Å; H144-F229 AromaticContact CG-CE1 3.59Å; H144-F229 AromaticContact ND1-CD1 3.15Å; H144-F229 WeakPolarHBondContact ND1-CD1 3.2Å; H144-F229 AromaticContact ND1-CE1 3.14Å; H144-F229 WeakPolarHBondContact ND1-CE1 3.41Å; T147-F229 HydrophobicContact CG2-CE2 4.12Å; T147-F229 HydrophobicContact CG2-CZ 3.59Å; H225-F229 VanDerWaalsContact O-CA 3.29Å; H225-F229 WeakPolarHBondContact O-CA 3.35Å; H225-F229 PolarHBondContact O-N 2.9Å; H226-F229 WeakPolarHBondContact O-CE2 3.31Å; H226-F229 WeakPolarHBondContact O-CZ 3.42Å
230K93.7Very high96.1Very high177 Ų17733.9 Ų33.977%0.7716%0.158SC*.SBendtrans-113.811.4-167.7-65.9-175.2179.6179.20114.7K228 Y233K228-K230 PolarHBondContact O-N 3.08Å; K230-Y233 VanDerWaalsContact C-OH 3.24Å; K230-Y233 WeakPolarHBondContact CA-OH 3.39Å; K230-Y233 PolarHBondContact O-OH 2.99Å
231S96.3Very high96.1Very high12 Ų1232.3 Ų32.38%0.08415%0.148CC..SBendtrans-153.6167.4-174.153.60000110.3H225 T246 H248H225-S231 PolarHBondContact ND1-O 3.2Å; S231-T246 CarbonylContact C-O 3.55Å; S231-T246 WeakPolarHBondContact CA-O 3.42Å; S231-T246 VanDerWaalsContact CB-O 3.25Å; S231-T246 WeakPolarHBondContact CB-O 3.37Å; S231-H248 WeakPolarHBondContact OG-CB 3.38Å
232N97.6Very high96.1Very high2 Ų236.9 Ų36.91%0.01117%0.165CC..  trans59.458.8173.1-63.9-4.7000112.3H221 H225 D241 T246 H248H221-N232 WeakPolarHBondContact CE1-CB 3.47Å; H221-N232 PolarHBondContact CE1-OD1 3.32Å; H221-N232 VanDerWaalsContact CE1-OD1 3.28Å; H221-N232 VanDerWaalsContact ND1-CG 3.29Å; H221-N232 PolarHBondContact ND1-ND2 2.92Å; H221-N232 WeakPolarHBondContact NE2-CB 3.03Å; H221-N232 WeakPolarHBondContact O-CB 3.25Å; H221-N232 PolarHBondContact O-ND2 3.12Å; H225-N232 HydrophobicContact CB-CB 4.01Å; H225-N232 VanDerWaalsContact CB-O 3.31Å; H225-N232 WeakPolarHBondContact CB-O 3.39Å; H225-N232 PolarHBondContact ND1-O 2.85Å; N232-D241 WeakPolarHBondContact CA-OD2 3.36Å; N232-T246 PolarHBondContact N-O 2.81Å; N232-H248 PolarHBondContact ND2-O 2.96Å; N232-H248 VanDerWaalsContact ND2-O 3.07Å; N232-H248 PolarHBondContact OD1-N 3.4Å; N232-H248 PolarHBondContact OD1-O 3.36Å
233Y97.9Very high96.1Very high7 Ų742.3 Ų42.33%0.02719%0.194CC..  trans-85.8-17.4-177.6-57.8-59000113.3H126 M127 H130 H225 K230 D241 T246H126-Y233 PolarHBondContact ND1-O 3.12Å; M127-Y233 HydrophobicContact CB-CD2 4.12Å; M127-Y233 HydrophobicContact CB-CG 4.24Å; M127-Y233 HydrophobicContact CG-CD2 3.99Å; M127-Y233 HydrophobicContact CG-CE2 4.23Å; H130-Y233 HydrophobicContact CB-CD1 4.43Å; H130-Y233 HydrophobicContact CB-CE1 3.54Å; H130-Y233 AromaticContact CD2-CD1 3.63Å; H130-Y233 AromaticContact CD2-CE1 3.38Å; H130-Y233 WeakPolarHBondContact CD2-CE1 3.35Å; H130-Y233 AromaticContact CG-CE1 3.53Å; H225-Y233 AromaticContact CE1-CD1 3.6Å; H225-Y233 AromaticContact CE1-CE1 3.74Å; H225-Y233 AromaticContact ND1-CD1 3.86Å; K230-Y233 VanDerWaalsContact C-OH 3.24Å; K230-Y233 WeakPolarHBondContact CA-OH 3.39Å; K230-Y233 PolarHBondContact O-OH 2.99Å; Y233-D241 VanDerWaalsContact N-CG 3.34Å; Y233-D241 PolarHBondContact N-OD1 2.96Å; Y233-D241 PolarHBondContact N-OD2 3.47Å; Y233-D241 VanDerWaalsContact N-OD2 3.12Å; Y233-T246 HydrophobicContact CD2-CG2 3.76Å; Y233-T246 HydrophobicContact CE2-CG2 3.6Å
234A97.1Very high96.1Very high0 Ų047.1 Ų47.10%022%0.215CC..  trans-68.4129.817900000109.2F123 H221 F237 W240 D241F123-A234 HydrophobicContact CD2-CB 4.02Å; H221-A234 PolarHBondContact CD2-O 3.06Å; H221-A234 PolarHBondContact NE2-O 2.88Å; A234-F237 WeakPolarHBondContact CB-O 3.32Å; A234-W240 HydrophobicContact CB-CB 4.26Å; A234-D241 WeakPolarHBondContact CB-OD2 3.38Å; A234-D241 PolarHBondContact N-OD2 3.23Å
235P93.4Very high96.1Very high19 Ų1949 Ų4912%0.12324%0.241CC..SBendtrans-67.6-48.1179.727.4-32.6000110.3D119 D197D119-P235 HydrophobicContact CB-CG 4.47Å; D119-P235 WeakPolarHBondContact OD1-CD 3.4Å; D119-P235 WeakPolarHBondContact OD1-CG 3.35Å; D197-P235 VanDerWaalsContact OD2-O 3.1Å
236Y95.6Very high96.1Very high5 Ų549.7 Ų49.72%0.0225%0.246CC..SBendtrans-115.8-60.5-174.9-48.3-42000111.9L115 F118 D119 N190 L193 D197 Y216 G217L115-Y236 HydrophobicContact CD2-CE2 4.5Å; F118-Y236 AromaticContact CD1-CE2 3.73Å; F118-Y236 HydrophobicContact CD1-CE2 3.73Å; F118-Y236 AromaticContact CE1-CE2 3.98Å; F118-Y236 HydrophobicContact CE1-CE2 3.98Å; F118-Y236 WeakPolarHBondContact CE1-OH 3.33Å; D119-Y236 HydrophobicContact CB-CD2 4.21Å; D119-Y236 WeakPolarHBondContact OD1-CB 3.37Å; D119-Y236 PolarHBondContact OD1-N 3.03Å; N190-Y236 PolarHBondContact O-OH 2.92Å; N190-Y236 WeakPolarHBondContact OD1-CE2 3.25Å; N190-Y236 PolarHBondContact OD1-OH 3.32Å; L193-Y236 HydrophobicContact CB-CD1 3.83Å; L193-Y236 HydrophobicContact CB-CE1 3.45Å; L193-Y236 VanDerWaalsContact CB-CE1 3.45Å; L193-Y236 HydrophobicContact CD1-CD1 4.31Å; L193-Y236 HydrophobicContact CD1-CD2 4.05Å; L193-Y236 HydrophobicContact CD1-CE1 4.32Å; L193-Y236 HydrophobicContact CD1-CE2 4.01Å; L193-Y236 HydrophobicContact CD1-CG 4.2Å; D197-Y236 WeakPolarHBondContact OD2-CD1 3.18Å; D197-Y236 WeakPolarHBondContact OD2-CE1 3.36Å; Y216-Y236 VanDerWaalsContact CD2-O 3.26Å; Y216-Y236 WeakPolarHBondContact CD2-O 3.48Å; G217-Y236 PolarHBondContact N-O 3.49Å
237F96.6Very high96.1Very high47 Ų4752.1 Ų52.121%0.20626%0.259CS..BIsolated β-bridgetrans-101.3116.9-168.2-59.1-70.3000112.8L116 D119 V211 L215 Y216 A234 H239L116-F237 HydrophobicContact CD2-CD2 4.16Å; L116-F237 HydrophobicContact CD2-CE2 4.03Å; D119-F237 HydrophobicContact CB-CD2 4.31Å; D119-F237 PolarHBondContact OD1-N 3.31Å; D119-F237 VanDerWaalsContact OD1-N 3.08Å; V211-F237 HydrophobicContact CG2-CE1 4.37Å; L215-F237 CarbonylContact O-C 3.6Å; L215-F237 WeakPolarHBondContact O-CA 3.43Å; Y216-F237 HydrophobicContact CG-CE1 4.47Å; A234-F237 WeakPolarHBondContact CB-O 3.32Å; F237-H239 WeakPolarHBondContact CB-ND1 3.33Å; F237-H239 PolarHBondContact O-N 3.41Å; F237-H239 PolarHBondContact O-ND1 3.34Å
238T96.7Very high96Very high4 Ų450.9 Ų50.93%0.02525%0.251CS..THydrogen-bonded Turntrans-66.5-8.2-172.273.60000115G214 L215 W240 D241 R242 L247G214-T238 PolarHBondContact O-OG1 3.39Å; L215-T238 PolarHBondContact O-N 2.98Å; T238-W240 PolarHBondContact O-N 3.33Å; T238-D241 PolarHBondContact O-N 2.86Å; T238-D241 VanDerWaalsContact O-N 3.15Å; T238-R242 WeakPolarHBondContact O-CG 3.36Å; T238-R242 PolarHBondContact O-N 3.22Å; T238-R242 PolarHBondContact OG1-NE 2.85Å; T238-R242 VanDerWaalsContact OG1-NE 3.15Å; T238-L247 HydrophobicContact CG2-CD1 4.45Å
239H95.9Very high95.3Very high55 Ų5552.4 Ų52.426%0.25526%0.257SS..Hα-helixtrans-56.8-36178.970.5-61.9000112.9D119 L215 F237 R242 L243D119-H239 IonicContact OD2-CE1 3.12Å; L215-H239 HydrophobicContact CD2-CB 4.35Å; F237-H239 WeakPolarHBondContact CB-ND1 3.33Å; F237-H239 PolarHBondContact O-N 3.41Å; F237-H239 PolarHBondContact O-ND1 3.34Å; H239-R242 WeakPolarHBondContact O-CB 3.4Å; H239-R242 PolarHBondContact O-N 2.9Å; H239-L243 WeakPolarHBondContact O-CB 3.42Å; H239-L243 WeakPolarHBondContact O-CG 3.19Å; H239-L243 PolarHBondContact O-N 3.19Å
240W97.6Very high93.8Very high52 Ų5254.3 Ų54.320%0.19728%0.278CS..Hα-helixtrans-62.8-48.5174.2-66.1121.5000112D119 F120 F123 A234 T238 R242 L243 F244D119-W240 PolarHBondContact OD2-NE1 2.73Å; F120-W240 HydrophobicContact CB-CZ2 3.8Å; F120-W240 HydrophobicContact CD2-CD2 4.44Å; F120-W240 AromaticContact CD2-CE2 3.92Å; F120-W240 HydrophobicContact CD2-CE3 4.45Å; F120-W240 AromaticContact CD2-CH2 3.48Å; F120-W240 HydrophobicContact CD2-CH2 3.48Å; F120-W240 VanDerWaalsContact CD2-CH2 3.48Å; F120-W240 AromaticContact CD2-CZ2 3.43Å; F120-W240 HydrophobicContact CD2-CZ2 3.43Å; F120-W240 VanDerWaalsContact CD2-CZ2 3.43Å; F120-W240 HydrophobicContact CD2-CZ3 4Å; F120-W240 AromaticContact CE2-CH2 4Å; F120-W240 HydrophobicContact CE2-CH2 4Å; F120-W240 HydrophobicContact CE2-CZ2 4.39Å; F120-W240 HydrophobicContact CE2-CZ3 4.25Å; F120-W240 HydrophobicContact CG-CH2 4.34Å; F120-W240 AromaticContact CG-CZ2 3.98Å; F120-W240 HydrophobicContact CG-CZ2 3.98Å; F123-W240 HydrophobicContact CB-CB 4.31Å; F123-W240 HydrophobicContact CB-CG 4.19Å; F123-W240 HydrophobicContact CD1-CB 3.63Å; F123-W240 HydrophobicContact CD1-CD2 4.16Å; F123-W240 HydrophobicContact CD1-CE3 4.43Å; F123-W240 AromaticContact CD1-CG 3.82Å; F123-W240 HydrophobicContact CD1-CG 3.82Å; F123-W240 HydrophobicContact CD2-CB 3.54Å; F123-W240 HydrophobicContact CD2-CG 4.3Å; F123-W240 HydrophobicContact CE1-CB 3.76Å; F123-W240 HydrophobicContact CE1-CG 4.32Å; F123-W240 HydrophobicContact CE2-CB 3.64Å; F123-W240 HydrophobicContact CG-CB 3.52Å; F123-W240 AromaticContact CG-CG 3.82Å; F123-W240 HydrophobicContact CG-CG 3.82Å; F123-W240 HydrophobicContact CZ-CB 3.76Å; A234-W240 HydrophobicContact CB-CB 4.26Å; T238-W240 PolarHBondContact O-N 3.33Å; W240-R242 PolarHBondContact O-N 2.92Å; W240-L243 HydrophobicContact CE3-CD1 4.16Å; W240-L243 HydrophobicContact CZ3-CD1 4.29Å; W240-L243 PolarHBondContact O-N 3.24Å; W240-L243 VanDerWaalsContact O-N 3.14Å; W240-F244 HydrophobicContact CE3-CE2 4.07Å; W240-F244 WeakPolarHBondContact O-CD2 3.43Å; W240-F244 PolarHBondContact O-N 3.22Å
241D97.9Very high91.8Very high0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-62.6-32.5176.5-78-59000113.1H221 N232 Y233 A234 T238 G245 T246 L247H221-D241 IonicContact CE1-OD2 3.86Å; H221-D241 PolarHBondContact CE1-OD2 3.49Å; H221-D241 IonicContact NE2-OD2 3.75Å; H221-D241 PolarHBondContact NE2-OD2 2.95Å; H221-D241 VanDerWaalsContact NE2-OD2 3.12Å; N232-D241 WeakPolarHBondContact CA-OD2 3.36Å; Y233-D241 VanDerWaalsContact N-CG 3.34Å; Y233-D241 PolarHBondContact N-OD1 2.96Å; Y233-D241 PolarHBondContact N-OD2 3.47Å; Y233-D241 VanDerWaalsContact N-OD2 3.12Å; A234-D241 WeakPolarHBondContact CB-OD2 3.38Å; A234-D241 PolarHBondContact N-OD2 3.23Å; T238-D241 PolarHBondContact O-N 2.86Å; T238-D241 VanDerWaalsContact O-N 3.15Å; D241-G245 CarbonylContact O-C 3.59Å; D241-G245 WeakPolarHBondContact O-CA 3.29Å; D241-G245 PolarHBondContact O-N 3.29Å; D241-T246 WeakPolarHBondContact CA-OG1 3.32Å; D241-T246 PolarHBondContact O-N 3.12Å; D241-T246 WeakPolarHBondContact OD1-CB 3.45Å; D241-T246 PolarHBondContact OD1-OG1 3.25Å; D241-L247 HydrophobicContact CB-CB 3.87Å; D241-L247 HydrophobicContact CB-CD1 4.33Å; D241-L247 PolarHBondContact O-N 3.03Å
242R96.4Very high89Confident110 Ų11058.4 Ų58.442%0.41532%0.315SS..Hα-helixtrans-66.7-46.2173.2-67.9172-171.8-127.34.6111.4F213 G214 T238 H239 W240 F244 G245 L247F213-R242 PolarHBondContact O-NH2 3.15Å; G214-R242 PolarHBondContact O-NH2 3.31Å; T238-R242 WeakPolarHBondContact O-CG 3.36Å; T238-R242 PolarHBondContact O-N 3.22Å; T238-R242 PolarHBondContact OG1-NE 2.85Å; T238-R242 VanDerWaalsContact OG1-NE 3.15Å; H239-R242 WeakPolarHBondContact O-CB 3.4Å; H239-R242 PolarHBondContact O-N 2.9Å; W240-R242 PolarHBondContact O-N 2.92Å; R242-F244 VanDerWaalsContact C-N 3.35Å; R242-G245 PolarHBondContact O-N 3.31Å; R242-L247 HydrophobicContact CG-CB 4.46Å; R242-L247 HydrophobicContact CG-CD2 3.61Å
243L97.4Very high88.6Confident126 Ų12661.3 Ų61.366%0.6633%0.33SS*.Hα-helixtrans-65.4-37.9-179.2-72.4170.3000112.1H239 W240H239-L243 WeakPolarHBondContact O-CB 3.42Å; H239-L243 WeakPolarHBondContact O-CG 3.19Å; H239-L243 PolarHBondContact O-N 3.19Å; W240-L243 HydrophobicContact CE3-CD1 4.16Å; W240-L243 HydrophobicContact CZ3-CD1 4.29Å; W240-L243 PolarHBondContact O-N 3.24Å; W240-L243 VanDerWaalsContact O-N 3.14Å
244F97.1Very high88.1Confident105 Ų10564.1 Ų64.146%0.46135%0.346SS..Hα-helixtrans-94.20.9-178.3-75.8-101.3000113.8F123 I124 M127 W240 R242 T246F123-F244 HydrophobicContact CE1-CD1 4.44Å; F123-F244 AromaticContact CE1-CD2 3.59Å; F123-F244 HydrophobicContact CE1-CD2 3.59Å; F123-F244 AromaticContact CE1-CE2 3.74Å; F123-F244 HydrophobicContact CE1-CE2 3.74Å; F123-F244 AromaticContact CE1-CG 3.97Å; F123-F244 HydrophobicContact CE1-CG 3.97Å; F123-F244 HydrophobicContact CE1-CZ 4.24Å; F123-F244 HydrophobicContact CZ-CB 3.92Å; F123-F244 HydrophobicContact CZ-CD1 4.45Å; F123-F244 AromaticContact CZ-CD2 3.68Å; F123-F244 HydrophobicContact CZ-CD2 3.68Å; F123-F244 HydrophobicContact CZ-CE2 4.32Å; F123-F244 AromaticContact CZ-CG 3.76Å; F123-F244 HydrophobicContact CZ-CG 3.76Å; I124-F244 HydrophobicContact CD1-CZ 4.36Å; M127-F244 HydrophobicContact CE-CD1 4.5Å; M127-F244 HydrophobicContact SD-CD1 4.15Å; W240-F244 HydrophobicContact CE3-CE2 4.07Å; W240-F244 WeakPolarHBondContact O-CD2 3.43Å; W240-F244 PolarHBondContact O-N 3.22Å; R242-F244 VanDerWaalsContact C-N 3.35Å; F244-T246 VanDerWaalsContact C-N 3.32Å; F244-T246 PolarHBondContact O-N 2.8Å
245G96.3Very high87.6Confident69 Ų6967.7 Ų67.771%0.71137%0.365SS*.THydrogen-bonded Turntrans67.728.8178.100000114D241 R242D241-G245 CarbonylContact O-C 3.59Å; D241-G245 WeakPolarHBondContact O-CA 3.29Å; D241-G245 PolarHBondContact O-N 3.29Å; R242-G245 PolarHBondContact O-N 3.31Å
246T96.8Very high87.2Confident15 Ų1570.5 Ų70.59%0.09238%0.379CS..  trans-106.72.7-179.449.30000113.1S231 N232 Y233 D241 F244 H248S231-T246 CarbonylContact C-O 3.55Å; S231-T246 WeakPolarHBondContact CA-O 3.42Å; S231-T246 VanDerWaalsContact CB-O 3.25Å; S231-T246 WeakPolarHBondContact CB-O 3.37Å; N232-T246 PolarHBondContact N-O 2.81Å; Y233-T246 HydrophobicContact CD2-CG2 3.76Å; Y233-T246 HydrophobicContact CE2-CG2 3.6Å; D241-T246 WeakPolarHBondContact CA-OG1 3.32Å; D241-T246 PolarHBondContact O-N 3.12Å; D241-T246 WeakPolarHBondContact OD1-CB 3.45Å; D241-T246 PolarHBondContact OD1-OG1 3.25Å; F244-T246 VanDerWaalsContact C-N 3.32Å; F244-T246 PolarHBondContact O-N 2.8Å; T246-H248 PolarHBondContact O-N 3.32Å
247L96.7Very high86.7Confident52 Ų5274.6 Ų74.627%0.27240%0.402SS..  trans-73125.1176.9-176.767.7000111.5T238 D241 R242T238-L247 HydrophobicContact CG2-CD1 4.45Å; D241-L247 HydrophobicContact CB-CB 3.87Å; D241-L247 HydrophobicContact CB-CD1 4.33Å; D241-L247 PolarHBondContact O-N 3.03Å; R242-L247 HydrophobicContact CG-CB 4.46Å; R242-L247 HydrophobicContact CG-CD2 3.61Å
248H92.6Very high86.1Confident51 Ų5176.5 Ų76.524%0.23642%0.415CS..  trans-117.3129.6168.5-172.364.5000110S231 N232 T246S231-H248 WeakPolarHBondContact OG-CB 3.38Å; N232-H248 PolarHBondContact ND2-O 2.96Å; N232-H248 VanDerWaalsContact ND2-O 3.07Å; N232-H248 PolarHBondContact OD1-N 3.4Å; N232-H248 PolarHBondContact OD1-O 3.36Å; T246-H248 PolarHBondContact O-N 3.32Å
249K79.1Confident85.3Confident134 Ų13481.6 Ų81.658%0.58344%0.443SS*.  trans-93.8147.6179.2-64.7180-178175.80109.3S251K249-S251 PolarHBondContact O-N 2.93Å
250S61.2Low84.5Confident99 Ų9983.7 Ų83.769%0.69246%0.457SS*.THydrogen-bonded Turntrans-67.43.1-179.351.90000115.4
251S51.3Low83.4Confident93 Ų9386.3 Ų86.365%0.6548%0.479SS*.THydrogen-bonded Turntrans-98.48-17154.90000115.5K249K249-S251 PolarHBondContact O-N 2.93Å
252D38Very low82.1Confident182 Ų18294.2 Ų94.297%0.97352%0.522SS*.  trans-112.70179.5-62.6-10.4000112.8

Retrieved 252 of 252 residues in 2235.3 ms (Link to these results)

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