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Cytochrome c oxidase subunit 1

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A068B1F8, Species DROME (Drosophila melanogaster, Fruit fly), Gene n/a, Length 223 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
1D92.4Very high97.9Very high167 Ų16750.9 Ų50.989%0.89328%0.283SS*.  0-65.80-56.8-3.6000113.4G3 T4 L5D1-G3 PolarHBondContact O-N 3Å; D1-T4 WeakPolarHBondContact O-CA 3.4Å; D1-T4 WeakPolarHBondContact O-CB 3.49Å; D1-T4 PolarHBondContact O-N 2.53Å; D1-L5 PolarHBondContact O-N 3.33Å
2I97.6Very high98Very high30 Ų3057.7 Ų57.715%0.15430%0.301CS..Hα-helixtrans-55.4-46-176.4-59.7-56.1000113.1T4 L5 Y6 N86 F89I2-T4 VanDerWaalsContact C-N 3.28Å; I2-T4 PolarHBondContact O-N 3.15Å; I2-L5 HydrophobicContact CD1-CD1 4.25Å; I2-L5 WeakPolarHBondContact O-CB 3.41Å; I2-L5 PolarHBondContact O-N 3.21Å; I2-L5 VanDerWaalsContact O-N 3.12Å; I2-Y6 HydrophobicContact CG2-CD2 3.73Å; I2-Y6 HydrophobicContact CG2-CE2 3.55Å; I2-Y6 VanDerWaalsContact O-CD2 3.3Å; I2-Y6 WeakPolarHBondContact O-CD2 3.3Å; I2-Y6 PolarHBondContact O-N 3.01Å; I2-N86 HydrophobicContact CD1-CB 4.06Å; I2-N86 WeakPolarHBondContact CD1-OD1 3.36Å; I2-F89 HydrophobicContact CG2-CB 4.13Å
3G97.6Very high98Very high6 Ų653.2 Ų53.26%0.06228%0.278CS..Hα-helixtrans-58.2-38.1175.900000113.3D1 Y6 F7 G64D1-G3 PolarHBondContact O-N 3Å; G3-Y6 WeakPolarHBondContact O-CB 3.36Å; G3-Y6 PolarHBondContact O-N 3.17Å; G3-F7 WeakPolarHBondContact O-CD2 3.37Å; G3-F7 PolarHBondContact O-N 3.46Å; G3-F7 VanDerWaalsContact O-N 3.13Å; G3-G64 WeakPolarHBondContact O-CA 3.48Å
4T98.4Very high98.1Very high56 Ų5649.8 Ų49.834%0.34426%0.262SS..Hα-helixtrans-66.3-41.2175.3-46.70000111.8D1 I2 Y6 F7 I8D1-T4 WeakPolarHBondContact O-CA 3.4Å; D1-T4 WeakPolarHBondContact O-CB 3.49Å; D1-T4 PolarHBondContact O-N 2.53Å; I2-T4 VanDerWaalsContact C-N 3.28Å; I2-T4 PolarHBondContact O-N 3.15Å; T4-Y6 VanDerWaalsContact C-N 3.34Å; T4-Y6 PolarHBondContact O-N 3.37Å; T4-F7 PolarHBondContact O-N 2.87Å; T4-I8 HydrophobicContact CG2-CD1 4.13Å; T4-I8 WeakPolarHBondContact O-CG1 3.27Å; T4-I8 PolarHBondContact O-N 2.9Å
5L98.7Very high98.1Very high61 Ų6154.4 Ų54.432%0.31928%0.283SS..Hα-helixtrans-62-41.9176.2-67.9177000111.7D1 I2 F7 I8 F9 F89D1-L5 PolarHBondContact O-N 3.33Å; I2-L5 HydrophobicContact CD1-CD1 4.25Å; I2-L5 WeakPolarHBondContact O-CB 3.41Å; I2-L5 PolarHBondContact O-N 3.21Å; I2-L5 VanDerWaalsContact O-N 3.12Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 2.86Å; L5-I8 PolarHBondContact O-N 3.35Å; L5-F9 VanDerWaalsContact O-CB 3.27Å; L5-F9 WeakPolarHBondContact O-CB 3.31Å; L5-F9 PolarHBondContact O-N 3.03Å; L5-F89 VanDerWaalsContact C-CE2 3.45Å; L5-F89 HydrophobicContact CB-CD1 4.25Å; L5-F89 HydrophobicContact CB-CD2 4.06Å; L5-F89 HydrophobicContact CB-CE1 3.86Å; L5-F89 HydrophobicContact CB-CE2 3.64Å; L5-F89 HydrophobicContact CB-CG 4.35Å; L5-F89 HydrophobicContact CB-CZ 3.55Å; L5-F89 HydrophobicContact CD1-CD1 4.06Å; L5-F89 HydrophobicContact CD1-CE1 3.85Å; L5-F89 HydrophobicContact CD1-CZ 4.39Å; L5-F89 HydrophobicContact CG-CE1 4.37Å; L5-F89 HydrophobicContact CG-CZ 4.42Å; L5-F89 WeakPolarHBondContact O-CE2 3.13Å
6Y98.8Very high98.1Very high8 Ų853.3 Ų53.33%0.03128%0.279CS..Hα-helixtrans-57.6-42.6172.2-87.6-71.4000112.7I2 G3 T4 G10 P59 G63 S88 F89 L92I2-Y6 HydrophobicContact CG2-CD2 3.73Å; I2-Y6 HydrophobicContact CG2-CE2 3.55Å; I2-Y6 VanDerWaalsContact O-CD2 3.3Å; I2-Y6 WeakPolarHBondContact O-CD2 3.3Å; I2-Y6 PolarHBondContact O-N 3.01Å; G3-Y6 WeakPolarHBondContact O-CB 3.36Å; G3-Y6 PolarHBondContact O-N 3.17Å; T4-Y6 VanDerWaalsContact C-N 3.34Å; T4-Y6 PolarHBondContact O-N 3.37Å; Y6-G10 PolarHBondContact O-N 3.36Å; Y6-P59 HydrophobicContact CD1-CB 3.98Å; Y6-G63 WeakPolarHBondContact CD2-O 3.28Å; Y6-G63 VanDerWaalsContact CG-C 3.49Å; Y6-S88 VanDerWaalsContact OH-C 3.27Å; Y6-S88 PolarHBondContact OH-OG 2.69Å; Y6-F89 AromaticContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD2-CB 4.36Å; Y6-F89 HydrophobicContact CD2-CD2 4.05Å; Y6-F89 HydrophobicContact CE1-CB 4.47Å; Y6-F89 HydrophobicContact CE1-CD2 4.11Å; Y6-F89 HydrophobicContact CE2-CB 3.74Å; Y6-F89 HydrophobicContact CE2-CD2 4.17Å; Y6-F89 HydrophobicContact CE2-CG 4.42Å; Y6-F89 AromaticContact CG-CD2 3.94Å; Y6-F89 HydrophobicContact CG-CD2 3.94Å; Y6-F89 WeakPolarHBondContact OH-CA 3.24Å; Y6-F89 PolarHBondContact OH-N 3.1Å; Y6-F89 VanDerWaalsContact OH-N 3.12Å; Y6-L92 HydrophobicContact CD1-CD1 3.9Å; Y6-L92 HydrophobicContact CE1-CD1 3.43Å; Y6-L92 VanDerWaalsContact CE1-CD1 3.43Å
7F98.7Very high98.2Very high43 Ų4350.1 Ų50.119%0.18926%0.263CS..Hα-helixtrans-64.8-46.4176.5-75.9-55.4000112.8G3 T4 L5 G10 A11 I60 F65 W68G3-F7 WeakPolarHBondContact O-CD2 3.37Å; G3-F7 PolarHBondContact O-N 3.46Å; G3-F7 VanDerWaalsContact O-N 3.13Å; T4-F7 PolarHBondContact O-N 2.87Å; L5-F7 VanDerWaalsContact C-N 3.33Å; L5-F7 PolarHBondContact O-N 2.86Å; F7-G10 PolarHBondContact O-N 3.34Å; F7-A11 WeakPolarHBondContact O-CB 3.07Å; F7-A11 PolarHBondContact O-N 3.38Å; F7-I60 HydrophobicContact CD1-CG2 4.03Å; F7-I60 HydrophobicContact CE1-CG2 3.85Å; F7-F65 HydrophobicContact CE1-CD1 4.24Å; F7-F65 AromaticContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CE1 4.22Å; F7-F65 AromaticContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CG 4.01Å; F7-F65 AromaticContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CZ-CB 4.26Å; F7-F65 AromaticContact CZ-CD1 3.58Å; F7-F65 HydrophobicContact CZ-CD1 3.58Å; F7-F65 AromaticContact CZ-CD2 3.89Å; F7-F65 HydrophobicContact CZ-CD2 3.89Å; F7-F65 AromaticContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE2 4.08Å; F7-F65 AromaticContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CZ 4.02Å; F7-F65 VanDerWaalsContact CZ-N 3.26Å; F7-W68 AromaticContact CD2-CE3 3.79Å; F7-W68 HydrophobicContact CD2-CE3 3.79Å; F7-W68 AromaticContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CE2-CD2 4.41Å; F7-W68 AromaticContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CZ3 4.03Å
8I98.8Very high98.2Very high112 Ų11250.9 Ų50.957%0.57427%0.27SS*.Hα-helixtrans-62.4-48.4179.5-66.5167.6000110T4 L5 W12T4-I8 HydrophobicContact CG2-CD1 4.13Å; T4-I8 WeakPolarHBondContact O-CG1 3.27Å; T4-I8 PolarHBondContact O-N 2.9Å; L5-I8 PolarHBondContact O-N 3.35Å; I8-W12 WeakPolarHBondContact O-CB 3.46Å; I8-W12 PolarHBondContact O-N 3.02Å
9F98.8Very high98.2Very high23 Ų2351.8 Ų51.810%0.10128%0.281CS..Hα-helixtrans-60.1-50.1177.8175.6-94.4000111.6L5 A11 W12 A13 F55 P59 F89 L92 P93 L96L5-F9 VanDerWaalsContact O-CB 3.27Å; L5-F9 WeakPolarHBondContact O-CB 3.31Å; L5-F9 PolarHBondContact O-N 3.03Å; F9-A11 PolarHBondContact O-N 2.65Å; F9-W12 PolarHBondContact O-N 3.12Å; F9-A13 WeakPolarHBondContact O-CB 3.21Å; F9-A13 PolarHBondContact O-N 3.24Å; F9-F55 HydrophobicContact CE1-CB 4.29Å; F9-F55 AromaticContact CE1-CD1 3.98Å; F9-F55 HydrophobicContact CE1-CD1 3.98Å; F9-F55 AromaticContact CZ-CD1 3.82Å; F9-F55 HydrophobicContact CZ-CD1 3.82Å; F9-P59 HydrophobicContact CD1-CB 4.29Å; F9-P59 HydrophobicContact CE1-CG 4.38Å; F9-F89 HydrophobicContact CB-CE2 3.9Å; F9-F89 HydrophobicContact CB-CZ 4.37Å; F9-F89 HydrophobicContact CG-CE2 4.39Å; F9-L92 HydrophobicContact CD1-CB 4.33Å; F9-L92 HydrophobicContact CD1-CD1 4.12Å; F9-L92 HydrophobicContact CE1-CB 3.74Å; F9-L92 HydrophobicContact CE1-CD1 3.96Å; F9-L92 HydrophobicContact CE1-CG 4.42Å; F9-L92 HydrophobicContact CE2-CB 4.36Å; F9-L92 HydrophobicContact CZ-CB 3.74Å; F9-P93 HydrophobicContact CD2-CG 4.36Å; F9-P93 HydrophobicContact CE2-CB 4.5Å; F9-P93 HydrophobicContact CE2-CG 4.26Å; F9-L96 HydrophobicContact CE2-CB 4.27Å; F9-L96 HydrophobicContact CE2-CD2 3.74Å; F9-L96 HydrophobicContact CZ-CB 3.92Å; F9-L96 HydrophobicContact CZ-CD2 3.66Å; F9-L96 HydrophobicContact CZ-CG 4.45Å
10G98.7Very high98.2Very high0 Ų050.8 Ų50.80%028%0.275CS..Hα-helixtrans-64.9-38.7-178.200000113Y6 F7 G14 F55Y6-G10 PolarHBondContact O-N 3.36Å; F7-G10 PolarHBondContact O-N 3.34Å; G10-G14 PolarHBondContact O-N 3.42Å; G10-F55 WeakPolarHBondContact CA-O 3.33Å
11A98.7Very high98.2Very high54 Ų5449.5 Ų49.545%0.44627%0.27SS..Hα-helixtrans-64.7-43.217400000111.4F7 F9 G14 M15F7-A11 WeakPolarHBondContact O-CB 3.07Å; F7-A11 PolarHBondContact O-N 3.38Å; F9-A11 PolarHBondContact O-N 2.65Å; A11-G14 PolarHBondContact O-N 3.18Å; A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 3.22Å
12W98.8Very high98.5Very high132 Ų13246.8 Ų46.850%0.526%0.255SS..Hα-helixtrans-62.9-50.3176.7-173.991.8000112I8 F9 G14 M15 V16 L96I8-W12 WeakPolarHBondContact O-CB 3.46Å; I8-W12 PolarHBondContact O-N 3.02Å; F9-W12 PolarHBondContact O-N 3.12Å; W12-G14 VanDerWaalsContact C-N 3.28Å; W12-G14 PolarHBondContact O-N 3.11Å; W12-M15 HydrophobicContact CB-CE 4.47Å; W12-M15 WeakPolarHBondContact O-CB 3.49Å; W12-M15 PolarHBondContact O-N 3.03Å; W12-M15 VanDerWaalsContact O-N 3.14Å; W12-V16 HydrophobicContact CD2-CG2 4.35Å; W12-V16 HydrophobicContact CE3-CG2 4.07Å; W12-V16 HydrophobicContact CH2-CG2 3.74Å; W12-V16 HydrophobicContact CZ2-CG2 4.03Å; W12-V16 HydrophobicContact CZ3-CG2 3.75Å; W12-V16 PolarHBondContact O-N 3.13Å; W12-L96 HydrophobicContact CE3-CD2 4.08Å; W12-L96 HydrophobicContact CZ3-CD2 3.7Å
13A98.8Very high98.5Very high0 Ų049.5 Ų49.50%027%0.269CS..Hα-helixtrans-60.1-40.2176.300000111.2F9 M15 V16 G17 I51 F55 L96F9-A13 WeakPolarHBondContact O-CB 3.21Å; F9-A13 PolarHBondContact O-N 3.24Å; A13-M15 VanDerWaalsContact C-N 3.33Å; A13-M15 PolarHBondContact O-N 3.32Å; A13-V16 WeakPolarHBondContact O-CB 3.42Å; A13-V16 PolarHBondContact O-N 3.19Å; A13-V16 VanDerWaalsContact O-N 3.14Å; A13-G17 PolarHBondContact O-N 3.34Å; A13-I51 HydrophobicContact CB-CG2 4.28Å; A13-I51 WeakPolarHBondContact O-CG2 3.16Å; A13-F55 HydrophobicContact CB-CB 3.87Å; A13-F55 WeakPolarHBondContact CB-O 3.45Å; A13-L96 HydrophobicContact CB-CD2 3.96Å
14G98.6Very high98.6Very high5 Ų550.2 Ų50.25%0.05227%0.271CS..Hα-helixtrans-60.3-37.5175.100000113.7G10 A11 W12 G17 T18 M56G10-G14 PolarHBondContact O-N 3.42Å; A11-G14 PolarHBondContact O-N 3.18Å; W12-G14 VanDerWaalsContact C-N 3.28Å; W12-G14 PolarHBondContact O-N 3.11Å; G14-G17 PolarHBondContact O-N 2.97Å; G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.36Å; G14-T18 PolarHBondContact O-N 3.39Å; G14-T18 PolarHBondContact O-OG1 3.34Å; G14-M56 VanDerWaalsContact CA-SD 3.55Å
15M98.6Very high98.6Very high119 Ų11956.5 Ų56.559%0.58629%0.288SS*.Hα-helixtrans-65-41.9172.8-71.1-173.5-68.700111.8A11 W12 A13 T18 S19A11-M15 WeakPolarHBondContact O-CG 3.46Å; A11-M15 PolarHBondContact O-N 3.22Å; W12-M15 HydrophobicContact CB-CE 4.47Å; W12-M15 WeakPolarHBondContact O-CB 3.49Å; W12-M15 PolarHBondContact O-N 3.03Å; W12-M15 VanDerWaalsContact O-N 3.14Å; A13-M15 VanDerWaalsContact C-N 3.33Å; A13-M15 PolarHBondContact O-N 3.32Å; M15-T18 PolarHBondContact O-N 2.99Å; M15-S19 WeakPolarHBondContact O-CB 3.46Å; M15-S19 PolarHBondContact O-N 2.83Å; M15-S19 PolarHBondContact O-OG 2.85Å
16V98.6Very high98.5Very high36 Ų3655.5 Ų55.522%0.21829%0.289CS..Hα-helixtrans-61.4-50.9174.31790000110.4W12 A13 T18 S19 L20 I51 L100W12-V16 HydrophobicContact CD2-CG2 4.35Å; W12-V16 HydrophobicContact CE3-CG2 4.07Å; W12-V16 HydrophobicContact CH2-CG2 3.74Å; W12-V16 HydrophobicContact CZ2-CG2 4.03Å; W12-V16 HydrophobicContact CZ3-CG2 3.75Å; W12-V16 PolarHBondContact O-N 3.13Å; A13-V16 WeakPolarHBondContact O-CB 3.42Å; A13-V16 PolarHBondContact O-N 3.19Å; A13-V16 VanDerWaalsContact O-N 3.14Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 PolarHBondContact O-N 2.96Å; V16-S19 WeakPolarHBondContact O-CB 3.49Å; V16-S19 PolarHBondContact O-N 3.45Å; V16-S19 VanDerWaalsContact O-N 3.12Å; V16-L20 PolarHBondContact O-N 3.31Å; V16-I51 HydrophobicContact CG1-CD1 3.9Å; V16-L100 HydrophobicContact CG1-CD2 4.46Å
17G98.6Very high98.4Very high0 Ų056.2 Ų56.20%029%0.292CS..Hα-helixtrans-60.3-41.1179.100000112.7A13 G14 S19 L20 S21 H48A13-G17 PolarHBondContact O-N 3.34Å; G14-G17 PolarHBondContact O-N 2.97Å; G17-S19 VanDerWaalsContact C-N 3.33Å; G17-S19 PolarHBondContact O-N 3.43Å; G17-L20 PolarHBondContact O-N 3Å; G17-S21 PolarHBondContact O-N 2.98Å; G17-H48 PolarHBondContact O-ND1 3Å
18T98.6Very high98.3Very high65 Ų6559.6 Ų59.640%0.39931%0.312SS..Hα-helixtrans-65.3-38.2176.1-57.70000111.5G14 M15 V16 L20 S21 I22G14-T18 VanDerWaalsContact O-CB 3.29Å; G14-T18 WeakPolarHBondContact O-CB 3.36Å; G14-T18 PolarHBondContact O-N 3.39Å; G14-T18 PolarHBondContact O-OG1 3.34Å; M15-T18 PolarHBondContact O-N 2.99Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 PolarHBondContact O-N 2.96Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.4Å; T18-S21 WeakPolarHBondContact O-CA 3.11Å; T18-S21 VanDerWaalsContact O-CB 3.25Å; T18-S21 WeakPolarHBondContact O-CB 3.28Å; T18-S21 PolarHBondContact O-N 3.03Å; T18-S21 VanDerWaalsContact O-N 3.11Å; T18-I22 HydrophobicContact CG2-CD1 4.47Å; T18-I22 WeakPolarHBondContact O-CG1 3.21Å; T18-I22 PolarHBondContact O-N 2.76Å
19S98.5Very high98.2Very high68 Ų6857 Ų5748%0.47631%0.313SS..Hα-helixtrans-61.8-42.2175.6-55.90000111.4M15 V16 G17 S21 I22 L23M15-S19 WeakPolarHBondContact O-CB 3.46Å; M15-S19 PolarHBondContact O-N 2.83Å; M15-S19 PolarHBondContact O-OG 2.85Å; V16-S19 WeakPolarHBondContact O-CB 3.49Å; V16-S19 PolarHBondContact O-N 3.45Å; V16-S19 VanDerWaalsContact O-N 3.12Å; G17-S19 VanDerWaalsContact C-N 3.33Å; G17-S19 PolarHBondContact O-N 3.43Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S19-S21 PolarHBondContact O-N 3.27Å; S19-I22 PolarHBondContact O-N 2.82Å; S19-L23 PolarHBondContact O-N 3.26Å
20L98.5Very high97.9Very high31 Ų3161.5 Ų61.516%0.16233%0.334CS..Hα-helixtrans-62.5-38.8172.5-61177.4000111.9V16 G17 T18 I22 L23 I24 I44 A47 H48 I51V16-L20 PolarHBondContact O-N 3.31Å; G17-L20 PolarHBondContact O-N 3Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.4Å; L20-I22 VanDerWaalsContact C-N 3.3Å; L20-I22 PolarHBondContact O-N 3.36Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L20-L23 WeakPolarHBondContact O-CB 3.35Å; L20-L23 PolarHBondContact O-N 3.02Å; L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 3.47Å; L20-I44 HydrophobicContact CB-CG2 3.97Å; L20-I44 HydrophobicContact CD2-CG2 4.09Å; L20-A47 HydrophobicContact CD1-CB 3.85Å; L20-H48 HydrophobicContact CB-CB 3.91Å; L20-H48 HydrophobicContact CD1-CB 4.33Å; L20-I51 HydrophobicContact CD1-CD1 3.88Å
21S98.5Very high97.5Very high24 Ų2467.9 Ų67.917%0.16838%0.376CS..Hα-helixtrans-60.2-39.4174.9-159.10000112.7G17 T18 S19 I24 R25 H48G17-S21 PolarHBondContact O-N 2.98Å; T18-S21 WeakPolarHBondContact O-CA 3.11Å; T18-S21 VanDerWaalsContact O-CB 3.25Å; T18-S21 WeakPolarHBondContact O-CB 3.28Å; T18-S21 PolarHBondContact O-N 3.03Å; T18-S21 VanDerWaalsContact O-N 3.11Å; S19-S21 VanDerWaalsContact C-N 3.33Å; S19-S21 PolarHBondContact O-N 3.27Å; S21-I24 PolarHBondContact O-N 3.37Å; S21-R25 WeakPolarHBondContact O-CG 3.34Å; S21-R25 PolarHBondContact O-N 2.99Å; S21-H48 VanDerWaalsContact CB-CE1 3.43Å; S21-H48 WeakPolarHBondContact CB-CE1 3.29Å
22I98.4Very high97.1Very high110 Ų11068.3 Ų68.356%0.56439%0.385SS*.Hα-helixtrans-64.7-42.1176.9-67.2167.1000110.2T18 S19 L20 R25 A26T18-I22 HydrophobicContact CG2-CD1 4.47Å; T18-I22 WeakPolarHBondContact O-CG1 3.21Å; T18-I22 PolarHBondContact O-N 2.76Å; S19-I22 PolarHBondContact O-N 2.82Å; L20-I22 VanDerWaalsContact C-N 3.3Å; L20-I22 PolarHBondContact O-N 3.36Å; I22-R25 PolarHBondContact O-N 2.92Å; I22-A26 WeakPolarHBondContact O-CB 3.44Å; I22-A26 PolarHBondContact O-N 3.44Å
23L97.9Very high96.4Very high87 Ų8765.5 Ų65.546%0.45539%0.39SS..Hα-helixtrans-61.4-44.4175.3-65.9175.5000112S19 L20 R25 A26 E27 I44S19-L23 PolarHBondContact O-N 3.26Å; L20-L23 HydrophobicContact CD2-CD1 4.44Å; L20-L23 WeakPolarHBondContact O-CB 3.35Å; L20-L23 PolarHBondContact O-N 3.02Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.43Å; L23-A26 PolarHBondContact O-N 3.3Å; L23-E27 PolarHBondContact O-N 2.64Å; L23-I44 HydrophobicContact CB-CG2 4.42Å; L23-I44 HydrophobicContact CD1-CD1 4.37Å
24I98.3Very high96Very high20 Ų2070.7 Ų70.710%0.10342%0.417CS..Hα-helixtrans-57.6-47.6175.7-65.2162.8000110.4L20 S21 A26 E27 L28 Y41 I44 V45 H48L20-I24 VanDerWaalsContact O-CG1 3.31Å; L20-I24 WeakPolarHBondContact O-CG1 3.48Å; L20-I24 PolarHBondContact O-N 3.47Å; S21-I24 PolarHBondContact O-N 3.37Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.93Å; I24-E27 PolarHBondContact O-N 3.42Å; I24-L28 HydrophobicContact CG2-CD1 4.15Å; I24-L28 WeakPolarHBondContact O-CG 3.15Å; I24-L28 PolarHBondContact O-N 2.96Å; I24-L28 VanDerWaalsContact O-N 3.12Å; I24-Y41 HydrophobicContact CB-CE2 4.46Å; I24-Y41 HydrophobicContact CG2-CE2 3.99Å; I24-I44 HydrophobicContact CD1-CG2 4.09Å; I24-I44 HydrophobicContact CG1-CG2 3.67Å; I24-V45 HydrophobicContact CD1-CB 4.36Å; I24-V45 HydrophobicContact CD1-CG2 3.82Å; I24-V45 HydrophobicContact CG1-CG2 3.88Å; I24-V45 HydrophobicContact CG2-CG2 4.37Å; I24-H48 HydrophobicContact CD1-CB 3.9Å
25R98Very high95.8Very high188 Ų18873 Ų7371%0.70943%0.428SS*.Hα-helixtrans-70-30.7179.9-69.1-169.8-169.1-161.83.6113.2S21 I22 L23 G29S21-R25 WeakPolarHBondContact O-CG 3.34Å; S21-R25 PolarHBondContact O-N 2.99Å; I22-R25 PolarHBondContact O-N 2.92Å; L23-R25 VanDerWaalsContact C-N 3.33Å; L23-R25 PolarHBondContact O-N 3.43Å; R25-G29 PolarHBondContact O-N 2.87Å; R25-G29 VanDerWaalsContact O-N 3.13Å
26A96.8Very high95.6Very high40 Ų4070.4 Ų70.433%0.33143%0.431SS..Hα-helixtrans-66.8-43.9174.500000110.9I22 L23 I24 L28 G29 L34I22-A26 WeakPolarHBondContact O-CB 3.44Å; I22-A26 PolarHBondContact O-N 3.44Å; L23-A26 PolarHBondContact O-N 3.3Å; I24-A26 VanDerWaalsContact C-N 3.34Å; I24-A26 PolarHBondContact O-N 2.93Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.45Å; A26-G29 PolarHBondContact O-N 2.91Å; A26-L34 HydrophobicContact CB-CD2 3.86Å
27E96.9Very high95.4Very high23 Ų2372 Ų7211%0.10744%0.439CS..Hα-helixtrans-58-44.5173.8-172.662.4-151.200111.6L23 I24 G29 A33 L34 I35 Y41L23-E27 PolarHBondContact O-N 2.64Å; I24-E27 PolarHBondContact O-N 3.42Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 3.46Å; E27-A33 WeakPolarHBondContact OE1-CA 3.32Å; E27-L34 PolarHBondContact OE1-N 2.91Å; E27-L34 WeakPolarHBondContact OE2-CA 3.37Å; E27-L34 WeakPolarHBondContact OE2-CB 3.3Å; E27-L34 PolarHBondContact OE2-N 2.99Å; E27-I35 HydrophobicContact CB-CD1 4.11Å; E27-I35 HydrophobicContact CG-CD1 4.17Å; E27-I35 VanDerWaalsContact OE2-CB 3.32Å; E27-I35 WeakPolarHBondContact OE2-CB 3.39Å; E27-I35 WeakPolarHBondContact OE2-CD1 3.21Å; E27-I35 WeakPolarHBondContact OE2-CG1 3.47Å; E27-I35 PolarHBondContact OE2-N 2.99Å; E27-Y41 HydrophobicContact CB-CD2 4.1Å; E27-Y41 HydrophobicContact CB-CE2 4.14Å; E27-Y41 HydrophobicContact CG-CD2 3.83Å; E27-Y41 HydrophobicContact CG-CE2 4.11Å
28L97.2Very high95.3Very high114 Ų11478.4 Ų78.460%0.59747%0.473SS*.THydrogen-bonded Turntrans-82.34.3-178.1-62.2177.8000114.2I24 A26 H30 Y41I24-L28 HydrophobicContact CG2-CD1 4.15Å; I24-L28 WeakPolarHBondContact O-CG 3.15Å; I24-L28 PolarHBondContact O-N 2.96Å; I24-L28 VanDerWaalsContact O-N 3.12Å; A26-L28 VanDerWaalsContact C-N 3.31Å; A26-L28 PolarHBondContact O-N 3.45Å; L28-H30 VanDerWaalsContact C-N 3.34Å; L28-H30 PolarHBondContact O-N 3.43Å; L28-Y41 WeakPolarHBondContact CD1-OH 3.48Å; L28-Y41 HydrophobicContact CG-CE2 4.41Å
29G96.3Very high95.2Very high59 Ų5977.7 Ų77.761%0.60847%0.465SS*.THydrogen-bonded Turntrans-70.5-26.5-173.300000114.3R25 A26 E27R25-G29 PolarHBondContact O-N 2.87Å; R25-G29 VanDerWaalsContact O-N 3.13Å; A26-G29 PolarHBondContact O-N 2.91Å; E27-G29 VanDerWaalsContact C-N 3.25Å; E27-G29 PolarHBondContact O-N 3.46Å
30H92.4Very high95.2Very high116 Ų11678.4 Ų78.454%0.53746%0.463SS..SBendtrans-154.1156.1175.253.761000110.4L28L28-H30 VanDerWaalsContact C-N 3.34Å; L28-H30 PolarHBondContact O-N 3.43Å
31P91.3Very high95.2Very high135 Ų13579.4 Ų79.488%0.87747%0.465SS*.SBendtrans-57.4145.6170.6-21.833.2000111.9
32G89.3Confident95.2Very high62 Ų6281.4 Ų81.464%0.63947%0.473SS*.SBendtrans114.7-177-171.700000111.1
33A83.7Confident95.2Very high73 Ų7376.7 Ų76.760%0.60345%0.45SS*.  trans-118.3124179.600000110.4E27E27-A33 WeakPolarHBondContact OE1-CA 3.32Å
34L91.8Very high95.2Very high110 Ų11073.7 Ų73.758%0.57643%0.434SS*.SBendtrans-92.7-45.9172168.575.4000110.3A26 E27A26-L34 HydrophobicContact CB-CD2 3.86Å; E27-L34 PolarHBondContact OE1-N 2.91Å; E27-L34 WeakPolarHBondContact OE2-CA 3.37Å; E27-L34 WeakPolarHBondContact OE2-CB 3.3Å; E27-L34 PolarHBondContact OE2-N 2.99Å
35I94.4Very high95.2Very high54 Ų5474.9 Ų74.928%0.27744%0.442SS..SBendtrans-75.3-39.4175.7-69.3163.7000110.4E27 D37 I40 Y41 I44E27-I35 HydrophobicContact CB-CD1 4.11Å; E27-I35 HydrophobicContact CG-CD1 4.17Å; E27-I35 VanDerWaalsContact OE2-CB 3.32Å; E27-I35 WeakPolarHBondContact OE2-CB 3.39Å; E27-I35 WeakPolarHBondContact OE2-CD1 3.21Å; E27-I35 WeakPolarHBondContact OE2-CG1 3.47Å; E27-I35 PolarHBondContact OE2-N 2.99Å; I35-D37 VanDerWaalsContact C-N 3.25Å; I35-D37 HydrophobicContact CG2-CB 4.36Å; I35-D37 PolarHBondContact O-N 3.4Å; I35-I40 HydrophobicContact CG2-CB 3.96Å; I35-I40 HydrophobicContact CG2-CG2 3.82Å; I35-Y41 HydrophobicContact CD1-CD2 4.26Å; I35-I44 HydrophobicContact CD1-CD1 4.03Å
36G93.4Very high95.3Very high63 Ų6366 Ų6665%0.64941%0.409SS*.  trans775.817900000115.3
37D95.6Very high95.4Very high71 Ų7164.3 Ų64.338%0.3840%0.395SS..  trans-144.1111.6179.2-173.5-33.6000110.4I35 Q39 I40 Y41I35-D37 VanDerWaalsContact C-N 3.25Å; I35-D37 HydrophobicContact CG2-CB 4.36Å; I35-D37 PolarHBondContact O-N 3.4Å; D37-Q39 VanDerWaalsContact C-N 3.28Å; D37-Q39 PolarHBondContact O-N 3.24Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.47Å; D37-Q39 VanDerWaalsContact OD1-CB 3.32Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.43Å; D37-Q39 PolarHBondContact OD1-N 2.97Å; D37-I40 HydrophobicContact CB-CB 4.13Å; D37-I40 HydrophobicContact CB-CD1 3.89Å; D37-I40 HydrophobicContact CB-CG1 3.99Å; D37-I40 PolarHBondContact O-N 3.48Å; D37-I40 PolarHBondContact OD1-N 2.85Å; D37-Y41 PolarHBondContact O-N 3.12Å; D37-Y41 VanDerWaalsContact O-N 3.15Å
38D95.5Very high95.5Very high133 Ų13365.2 Ų65.271%0.71140%0.399SS*.Hα-helixtrans-64.8-31-178.3-64.9-18000112.5Y41 N42D38-Y41 WeakPolarHBondContact O-CB 3.28Å; D38-Y41 PolarHBondContact O-N 3.11Å; D38-N42 VanDerWaalsContact O-CG 3.26Å; D38-N42 PolarHBondContact O-N 2.71Å; D38-N42 PolarHBondContact O-ND2 3.46Å; D38-N42 VanDerWaalsContact O-ND2 3.16Å
39Q97.6Very high95.5Very high50 Ų5060.7 Ų60.723%0.23438%0.378CS..Hα-helixtrans-70.1-43.4178.2176.263.410.100110.5D37 Y41 N42 V43 N107 H125D37-Q39 VanDerWaalsContact C-N 3.28Å; D37-Q39 PolarHBondContact O-N 3.24Å; D37-Q39 WeakPolarHBondContact OD1-CA 3.47Å; D37-Q39 VanDerWaalsContact OD1-CB 3.32Å; D37-Q39 WeakPolarHBondContact OD1-CB 3.43Å; D37-Q39 PolarHBondContact OD1-N 2.97Å; Q39-Y41 VanDerWaalsContact C-N 3.27Å; Q39-Y41 PolarHBondContact O-N 3.47Å; Q39-N42 PolarHBondContact O-N 3.21Å; Q39-N42 VanDerWaalsContact O-N 3.13Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.31Å; Q39-V43 PolarHBondContact O-N 2.75Å; Q39-N107 HydrophobicContact CG-CB 4.2Å; Q39-N107 WeakPolarHBondContact CG-O 3.33Å; Q39-N107 PolarHBondContact NE2-O 3.19Å; Q39-H125 PolarHBondContact NE2-NE2 2.77Å; Q39-H125 VanDerWaalsContact NE2-NE2 3.11Å
40I97.9Very high95.6Very high84 Ų8458 Ų5843%0.43135%0.349SS..Hα-helixtrans-59.7-42.3174.9-66.3179.1000110.2I35 D37 N42 V43 I44I35-I40 HydrophobicContact CG2-CB 3.96Å; I35-I40 HydrophobicContact CG2-CG2 3.82Å; D37-I40 HydrophobicContact CB-CB 4.13Å; D37-I40 HydrophobicContact CB-CD1 3.89Å; D37-I40 HydrophobicContact CB-CG1 3.99Å; D37-I40 PolarHBondContact O-N 3.48Å; D37-I40 PolarHBondContact OD1-N 2.85Å; I40-N42 PolarHBondContact O-N 2.78Å; I40-V43 PolarHBondContact O-N 3.38Å; I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 HydrophobicContact CG2-CG1 4.45Å; I40-I44 VanDerWaalsContact O-CG1 3.3Å; I40-I44 WeakPolarHBondContact O-CG1 3.25Å; I40-I44 PolarHBondContact O-N 3.48Å
41Y97.9Very high95.9Very high52 Ų5252.4 Ų52.420%0.20432%0.324CS..Hα-helixtrans-57.2-47.8173.7175.1-94.6000111.8I24 E27 L28 I35 D37 D38 Q39 V43 I44 V45I24-Y41 HydrophobicContact CB-CE2 4.46Å; I24-Y41 HydrophobicContact CG2-CE2 3.99Å; E27-Y41 HydrophobicContact CB-CD2 4.1Å; E27-Y41 HydrophobicContact CB-CE2 4.14Å; E27-Y41 HydrophobicContact CG-CD2 3.83Å; E27-Y41 HydrophobicContact CG-CE2 4.11Å; L28-Y41 WeakPolarHBondContact CD1-OH 3.48Å; L28-Y41 HydrophobicContact CG-CE2 4.41Å; I35-Y41 HydrophobicContact CD1-CD2 4.26Å; D37-Y41 PolarHBondContact O-N 3.12Å; D37-Y41 VanDerWaalsContact O-N 3.15Å; D38-Y41 WeakPolarHBondContact O-CB 3.28Å; D38-Y41 PolarHBondContact O-N 3.11Å; Q39-Y41 VanDerWaalsContact C-N 3.27Å; Q39-Y41 PolarHBondContact O-N 3.47Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 2.93Å; Y41-I44 PolarHBondContact O-N 3.24Å; Y41-V45 HydrophobicContact CD1-CG2 4.15Å; Y41-V45 HydrophobicContact CE1-CG2 3.7Å; Y41-V45 HydrophobicContact CE2-CG2 4.15Å; Y41-V45 WeakPolarHBondContact O-CG2 3.31Å; Y41-V45 PolarHBondContact O-N 2.84Å
42N98.4Very high96.3Very high65 Ų6548 Ų4835%0.34829%0.292SS..Hα-helixtrans-63-36.7178.4-69.8-32.2000113.1D38 Q39 I40 V45 T46D38-N42 VanDerWaalsContact O-CG 3.26Å; D38-N42 PolarHBondContact O-N 2.71Å; D38-N42 PolarHBondContact O-ND2 3.46Å; D38-N42 VanDerWaalsContact O-ND2 3.16Å; Q39-N42 PolarHBondContact O-N 3.21Å; Q39-N42 VanDerWaalsContact O-N 3.13Å; I40-N42 PolarHBondContact O-N 2.78Å; N42-V45 PolarHBondContact O-N 2.74Å; N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 3.3Å; N42-T46 PolarHBondContact O-OG1 3.28Å
43V98.7Very high96.7Very high12 Ų1248.1 Ų48.17%0.07328%0.277CS..Hα-helixtrans-64.2-45.4174.6173.10000110.6Q39 I40 Y41 V45 T46 A47 N107Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.31Å; Q39-V43 PolarHBondContact O-N 2.75Å; I40-V43 PolarHBondContact O-N 3.38Å; Y41-V43 VanDerWaalsContact C-N 3.33Å; Y41-V43 PolarHBondContact O-N 2.93Å; V43-V45 PolarHBondContact O-N 3.48Å; V43-T46 PolarHBondContact O-N 2.74Å; V43-A47 WeakPolarHBondContact O-CB 3.29Å; V43-A47 PolarHBondContact O-N 3Å; V43-N107 WeakPolarHBondContact CG2-O 3.25Å
44I98.6Very high97.4Very high24 Ų2445.8 Ų45.812%0.12325%0.253CS..Hα-helixtrans-60.6-45.8176.7-68.2168.9000110.6L20 L23 I24 I35 I40 Y41 T46 H48L20-I44 HydrophobicContact CB-CG2 3.97Å; L20-I44 HydrophobicContact CD2-CG2 4.09Å; L23-I44 HydrophobicContact CB-CG2 4.42Å; L23-I44 HydrophobicContact CD1-CD1 4.37Å; I24-I44 HydrophobicContact CD1-CG2 4.09Å; I24-I44 HydrophobicContact CG1-CG2 3.67Å; I35-I44 HydrophobicContact CD1-CD1 4.03Å; I40-I44 HydrophobicContact CG2-CD1 3.92Å; I40-I44 HydrophobicContact CG2-CG1 4.45Å; I40-I44 VanDerWaalsContact O-CG1 3.3Å; I40-I44 WeakPolarHBondContact O-CG1 3.25Å; I40-I44 PolarHBondContact O-N 3.48Å; Y41-I44 PolarHBondContact O-N 3.24Å; I44-T46 PolarHBondContact O-N 3.14Å; I44-H48 VanDerWaalsContact O-CB 3.23Å; I44-H48 WeakPolarHBondContact O-CB 3.31Å; I44-H48 PolarHBondContact O-N 3.33Å
45V98.7Very high97.7Very high44 Ų4440.5 Ų40.527%0.26723%0.226SC..Hα-helixtrans-60.5-45.6177.4171.40000111.3I24 Y41 N42 V43 H48 A49I24-V45 HydrophobicContact CD1-CB 4.36Å; I24-V45 HydrophobicContact CD1-CG2 3.82Å; I24-V45 HydrophobicContact CG1-CG2 3.88Å; I24-V45 HydrophobicContact CG2-CG2 4.37Å; Y41-V45 HydrophobicContact CD1-CG2 4.15Å; Y41-V45 HydrophobicContact CE1-CG2 3.7Å; Y41-V45 HydrophobicContact CE2-CG2 4.15Å; Y41-V45 WeakPolarHBondContact O-CG2 3.31Å; Y41-V45 PolarHBondContact O-N 2.84Å; N42-V45 PolarHBondContact O-N 2.74Å; V43-V45 PolarHBondContact O-N 3.48Å; V45-H48 PolarHBondContact O-N 2.89Å; V45-A49 PolarHBondContact O-N 3.47Å; V45-A49 VanDerWaalsContact O-N 3.11Å
46T98.6Very high97.9Very high3 Ų339.9 Ų39.92%0.01822%0.222CC..Hα-helixtrans-64.4-49.2-179.6-56.90000111.2N42 V43 I44 H48 A49 F50 A109 G112N42-T46 WeakPolarHBondContact O-CB 3.49Å; N42-T46 PolarHBondContact O-N 3.3Å; N42-T46 PolarHBondContact O-OG1 3.28Å; V43-T46 PolarHBondContact O-N 2.74Å; I44-T46 PolarHBondContact O-N 3.14Å; T46-H48 PolarHBondContact O-N 3.19Å; T46-A49 PolarHBondContact O-N 2.87Å; T46-F50 HydrophobicContact CG2-CD2 3.81Å; T46-F50 HydrophobicContact CG2-CE2 3.45Å; T46-F50 VanDerWaalsContact CG2-CE2 3.45Å; T46-F50 HydrophobicContact CG2-CZ 4.37Å; T46-F50 WeakPolarHBondContact O-CD2 3.44Å; T46-F50 PolarHBondContact O-N 3.4Å; T46-F50 VanDerWaalsContact O-N 3.13Å; T46-A109 VanDerWaalsContact CB-O 3.26Å; T46-A109 WeakPolarHBondContact CB-O 3.29Å; T46-A109 WeakPolarHBondContact CG2-O 3.49Å; T46-A109 PolarHBondContact OG1-O 3.14Å; T46-G112 VanDerWaalsContact OG1-CA 3.25Å; T46-G112 WeakPolarHBondContact OG1-CA 3.42Å; T46-G112 PolarHBondContact OG1-N 3.11Å
47A98.7Very high98.2Very high4 Ų440.2 Ų40.23%0.03321%0.212CC..Hα-helixtrans-62.8-42.4177.900000112L20 V43 A49 F50 I51L20-A47 HydrophobicContact CD1-CB 3.85Å; V43-A47 WeakPolarHBondContact O-CB 3.29Å; V43-A47 PolarHBondContact O-N 3Å; A47-A49 PolarHBondContact O-N 3.46Å; A47-F50 PolarHBondContact O-N 2.86Å; A47-I51 VanDerWaalsContact O-CB 3.32Å; A47-I51 WeakPolarHBondContact O-CB 3.49Å; A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 3.37Å
48H98.8Very high98.3Very high41 Ų4138.5 Ų38.519%0.1920%0.202CC..Hα-helixtrans-54.6-53.6175.1169.567.7000111.4G17 L20 S21 I24 I44 V45 T46 F50 I51 M52G17-H48 PolarHBondContact O-ND1 3Å; L20-H48 HydrophobicContact CB-CB 3.91Å; L20-H48 HydrophobicContact CD1-CB 4.33Å; S21-H48 VanDerWaalsContact CB-CE1 3.43Å; S21-H48 WeakPolarHBondContact CB-CE1 3.29Å; I24-H48 HydrophobicContact CD1-CB 3.9Å; I44-H48 VanDerWaalsContact O-CB 3.23Å; I44-H48 WeakPolarHBondContact O-CB 3.31Å; I44-H48 PolarHBondContact O-N 3.33Å; V45-H48 PolarHBondContact O-N 2.89Å; T46-H48 PolarHBondContact O-N 3.19Å; H48-F50 PolarHBondContact O-N 3.37Å; H48-I51 PolarHBondContact O-N 2.83Å; H48-M52 WeakPolarHBondContact CE1-CG 3.5Å; H48-M52 VanDerWaalsContact O-CG 3.24Å; H48-M52 WeakPolarHBondContact O-CG 3.45Å; H48-M52 PolarHBondContact O-N 3.23Å
49A98.7Very high98.4Very high19 Ų1932.3 Ų32.316%0.15717%0.169CC..Hα-helixtrans-60.2-46.6-177.500000111.9V45 T46 A47 M52 I53 W113V45-A49 PolarHBondContact O-N 3.47Å; V45-A49 VanDerWaalsContact O-N 3.11Å; T46-A49 PolarHBondContact O-N 2.87Å; A47-A49 PolarHBondContact O-N 3.46Å; A49-M52 PolarHBondContact O-N 2.84Å; A49-I53 WeakPolarHBondContact O-CG1 3.2Å; A49-I53 PolarHBondContact O-N 3.18Å; A49-I53 VanDerWaalsContact O-N 3.13Å; A49-W113 HydrophobicContact CB-CB 3.5Å; A49-W113 VanDerWaalsContact CB-CB 3.5Å; A49-W113 HydrophobicContact CB-CG 4.05Å
50F98.6Very high98.5Very high2 Ų231.8 Ų31.81%0.00917%0.167CC..Hα-helixtrans-63.8-44.3177.7-71.9-41.2000112.8T46 A47 H48 M52 I53 F54 L99 W113 V115 L137T46-F50 HydrophobicContact CG2-CD2 3.81Å; T46-F50 HydrophobicContact CG2-CE2 3.45Å; T46-F50 VanDerWaalsContact CG2-CE2 3.45Å; T46-F50 HydrophobicContact CG2-CZ 4.37Å; T46-F50 WeakPolarHBondContact O-CD2 3.44Å; T46-F50 PolarHBondContact O-N 3.4Å; T46-F50 VanDerWaalsContact O-N 3.13Å; A47-F50 PolarHBondContact O-N 2.86Å; H48-F50 PolarHBondContact O-N 3.37Å; F50-M52 PolarHBondContact O-N 2.98Å; F50-I53 PolarHBondContact O-N 3.13Å; F50-F54 AromaticContact CD1-CD2 3.91Å; F50-F54 HydrophobicContact CD1-CD2 3.91Å; F50-F54 AromaticContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CE1-CE2 4.3Å; F50-F54 WeakPolarHBondContact O-CB 3.36Å; F50-F54 PolarHBondContact O-N 3.41Å; F50-L99 HydrophobicContact CB-CD1 4.21Å; F50-L99 HydrophobicContact CB-CD2 3.64Å; F50-L99 HydrophobicContact CD2-CD1 3.81Å; F50-L99 HydrophobicContact CG-CD1 4.43Å; F50-W113 HydrophobicContact CD1-CB 4.43Å; F50-W113 HydrophobicContact CE1-CB 4.08Å; F50-W113 WeakPolarHBondContact CE1-O 3.5Å; F50-W113 HydrophobicContact CZ-CB 4.33Å; F50-W113 WeakPolarHBondContact CZ-O 3.38Å; F50-V115 HydrophobicContact CE2-CG2 4.26Å; F50-V115 HydrophobicContact CZ-CG2 3.57Å; F50-L137 HydrophobicContact CD1-CD1 4.45Å; F50-L137 HydrophobicContact CD1-CD2 3.8Å; F50-L137 HydrophobicContact CE1-CD1 3.79Å; F50-L137 HydrophobicContact CE1-CD2 3.95Å; F50-L137 HydrophobicContact CE1-CG 4.42Å; F50-L137 HydrophobicContact CE2-CD1 4.49Å; F50-L137 HydrophobicContact CG-CD2 4.32Å; F50-L137 HydrophobicContact CZ-CD1 3.8Å
51I98.9Very high98.5Very high0 Ų032.3 Ų32.30%017%0.169CC..Iπ-helixtrans-59.7-48.5178-71171.1000110.8A13 V16 L20 A47 H48 I53 F55 M56 L96 L99 L100A13-I51 HydrophobicContact CB-CG2 4.28Å; A13-I51 WeakPolarHBondContact O-CG2 3.16Å; V16-I51 HydrophobicContact CG1-CD1 3.9Å; L20-I51 HydrophobicContact CD1-CD1 3.88Å; A47-I51 VanDerWaalsContact O-CB 3.32Å; A47-I51 WeakPolarHBondContact O-CB 3.49Å; A47-I51 WeakPolarHBondContact O-CG1 3.24Å; A47-I51 PolarHBondContact O-N 3.37Å; H48-I51 PolarHBondContact O-N 2.83Å; I51-I53 PolarHBondContact O-N 3.48Å; I51-F55 CarbonylContact O-C 3.34Å; I51-F55 VanDerWaalsContact O-CA 3.32Å; I51-F55 WeakPolarHBondContact O-CA 3.12Å; I51-F55 WeakPolarHBondContact O-CB 3.25Å; I51-F55 PolarHBondContact O-N 2.9Å; I51-M56 PolarHBondContact O-N 3.35Å; I51-L96 HydrophobicContact CD1-CD1 4.43Å; I51-L96 HydrophobicContact CG1-CD1 4.03Å; I51-L99 HydrophobicContact CG1-CD2 3.7Å; I51-L100 HydrophobicContact CD1-CD2 4.16Å
52M98.8Very high98.4Very high41 Ų4131.3 Ų31.320%0.20217%0.167CC..Iπ-helixtrans-64.7-40.5-176.3-65.9-56.7-77.600112.1H48 A49 F50 M56 V57H48-M52 WeakPolarHBondContact CE1-CG 3.5Å; H48-M52 VanDerWaalsContact O-CG 3.24Å; H48-M52 WeakPolarHBondContact O-CG 3.45Å; H48-M52 PolarHBondContact O-N 3.23Å; A49-M52 PolarHBondContact O-N 2.84Å; F50-M52 PolarHBondContact O-N 2.98Å; M52-M56 HydrophobicContact CE-CE 3.34Å; M52-M56 HydrophobicContact CE-SD 3.6Å; M52-M56 VanDerWaalsContact CE-SD 3.6Å; M52-M56 WeakPolarHBondContact O-CB 3.42Å; M52-M56 HydrophobicContact SD-CE 4.16Å; M52-M56 HydrophobicContact SD-SD 3.94Å; M52-V57 WeakPolarHBondContact O-CB 3.48Å; M52-V57 VanDerWaalsContact O-CG2 3.31Å; M52-V57 WeakPolarHBondContact O-CG2 3.46Å; M52-V57 PolarHBondContact O-N 3.44Å
53I98Very high98.4Very high66 Ų6628.5 Ų28.534%0.33815%0.153SC..Iπ-helixtrans-81.1-59.5-177.1-64.6172.6000111A49 F50 I51 M58 W113A49-I53 WeakPolarHBondContact O-CG1 3.2Å; A49-I53 PolarHBondContact O-N 3.18Å; A49-I53 VanDerWaalsContact O-N 3.13Å; F50-I53 PolarHBondContact O-N 3.13Å; I51-I53 PolarHBondContact O-N 3.48Å; I53-M58 HydrophobicContact CG2-CE 3.8Å; I53-M58 PolarHBondContact O-N 3.04Å; I53-M58 VanDerWaalsContact O-N 3.09Å; I53-W113 HydrophobicContact CD1-CE3 4.35Å; I53-W113 HydrophobicContact CD1-CZ3 4.36Å
54F98.2Very high98.4Very high23 Ų2327.9 Ų27.910%0.10115%0.15CC..Iπ-helixtrans-84.7-22.7-169.3-65.1-88.6000114F50 M58 P59 L137 A140 L189F50-F54 AromaticContact CD1-CD2 3.91Å; F50-F54 HydrophobicContact CD1-CD2 3.91Å; F50-F54 AromaticContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CD1-CE2 3.85Å; F50-F54 HydrophobicContact CE1-CE2 4.3Å; F50-F54 WeakPolarHBondContact O-CB 3.36Å; F50-F54 PolarHBondContact O-N 3.41Å; F54-M58 HydrophobicContact CB-CE 4.04Å; F54-M58 HydrophobicContact CD1-CE 3.08Å; F54-M58 HydrophobicContact CD2-CE 4.41Å; F54-M58 HydrophobicContact CE1-CE 3.49Å; F54-M58 VanDerWaalsContact CE1-CE 3.49Å; F54-M58 HydrophobicContact CG-CE 3.6Å; F54-M58 HydrophobicContact CZ-CE 4.31Å; F54-P59 VanDerWaalsContact O-CD 3.24Å; F54-P59 WeakPolarHBondContact O-CD 3.3Å; F54-P59 VanDerWaalsContact O-CG 3.31Å; F54-P59 WeakPolarHBondContact O-CG 3.27Å; F54-L137 HydrophobicContact CD1-CD2 4.35Å; F54-L137 HydrophobicContact CD2-CD2 3.89Å; F54-L137 HydrophobicContact CE1-CD2 4.43Å; F54-L137 HydrophobicContact CE2-CD2 3.95Å; F54-L137 HydrophobicContact CG-CD2 4.12Å; F54-L137 HydrophobicContact CZ-CD2 4.23Å; F54-A140 HydrophobicContact CB-CB 4.47Å; F54-L189 HydrophobicContact CZ-CD2 4.37Å
55F98.8Very high98.4Very high0 Ų030.5 Ų30.50%016%0.16CC..Iπ-helixtrans-116.1-15.1-174.1-60.1-79.5000114.2F9 G10 A13 I51 P59 A95 L96 L99 S136 A140F9-F55 HydrophobicContact CE1-CB 4.29Å; F9-F55 AromaticContact CE1-CD1 3.98Å; F9-F55 HydrophobicContact CE1-CD1 3.98Å; F9-F55 AromaticContact CZ-CD1 3.82Å; F9-F55 HydrophobicContact CZ-CD1 3.82Å; G10-F55 WeakPolarHBondContact CA-O 3.33Å; A13-F55 HydrophobicContact CB-CB 3.87Å; A13-F55 WeakPolarHBondContact CB-O 3.45Å; I51-F55 CarbonylContact O-C 3.34Å; I51-F55 VanDerWaalsContact O-CA 3.32Å; I51-F55 WeakPolarHBondContact O-CA 3.12Å; I51-F55 WeakPolarHBondContact O-CB 3.25Å; I51-F55 PolarHBondContact O-N 2.9Å; F55-P59 WeakPolarHBondContact O-CG 3.41Å; F55-A95 HydrophobicContact CE1-CB 3.68Å; F55-A95 HydrophobicContact CZ-CB 3.89Å; F55-L96 HydrophobicContact CB-CD1 4.33Å; F55-L96 HydrophobicContact CD1-CB 3.77Å; F55-L96 HydrophobicContact CD1-CD1 4.19Å; F55-L96 HydrophobicContact CD1-CG 4.41Å; F55-L96 HydrophobicContact CD2-CD1 4.22Å; F55-L96 HydrophobicContact CE1-CB 3.78Å; F55-L96 HydrophobicContact CG-CB 4.41Å; F55-L96 HydrophobicContact CG-CD1 3.97Å; F55-L96 HydrophobicContact CZ-CB 4.45Å; F55-L99 HydrophobicContact CD2-CD2 3.99Å; F55-L99 HydrophobicContact CE2-CD2 3.69Å; F55-S136 WeakPolarHBondContact CZ-OG 3.45Å; F55-A140 HydrophobicContact CE1-CB 4.36Å; F55-A140 HydrophobicContact CZ-CB 4.11Å
56M98.7Very high98.4Very high40 Ų4028.4 Ų28.420%0.19715%0.148CC..Iπ-helixtrans-111.7-69173.1-174.5-165.377.700112.2G14 I51 M52 I60G14-M56 VanDerWaalsContact CA-SD 3.55Å; I51-M56 PolarHBondContact O-N 3.35Å; M52-M56 HydrophobicContact CE-CE 3.34Å; M52-M56 HydrophobicContact CE-SD 3.6Å; M52-M56 VanDerWaalsContact CE-SD 3.6Å; M52-M56 WeakPolarHBondContact O-CB 3.42Å; M52-M56 HydrophobicContact SD-CE 4.16Å; M52-M56 HydrophobicContact SD-SD 3.94Å; M56-I60 HydrophobicContact CG-CD1 3.77Å; M56-I60 VanDerWaalsContact O-CB 3.31Å; M56-I60 WeakPolarHBondContact O-CB 3.47Å; M56-I60 VanDerWaalsContact O-CG1 3.24Å; M56-I60 WeakPolarHBondContact O-CG1 3.35Å; M56-I60 PolarHBondContact O-N 3.01Å
57V98.5Very high98.4Very high71 Ų7129.1 Ų29.143%0.4315%0.151SC..Iπ-helixtrans-61-54.2-171.5171.80000111.6M52 I60 M61M52-V57 WeakPolarHBondContact O-CB 3.48Å; M52-V57 VanDerWaalsContact O-CG2 3.31Å; M52-V57 WeakPolarHBondContact O-CG2 3.46Å; M52-V57 PolarHBondContact O-N 3.44Å; V57-I60 PolarHBondContact O-N 3.31Å; V57-M61 HydrophobicContact CG1-CG 4.27Å; V57-M61 VanDerWaalsContact O-CB 3.28Å; V57-M61 WeakPolarHBondContact O-CB 3.43Å; V57-M61 WeakPolarHBondContact O-CG 3.41Å; V57-M61 PolarHBondContact O-N 3.12Å
58M97.8Very high98.3Very high34 Ų3434.9 Ų34.917%0.16717%0.172CC..Hα-helixtrans-63.2-47.8-178.9-76.9-169.7-76.900112.6I53 F54 I60 I62 G63 L182I53-M58 HydrophobicContact CG2-CE 3.8Å; I53-M58 PolarHBondContact O-N 3.04Å; I53-M58 VanDerWaalsContact O-N 3.09Å; F54-M58 HydrophobicContact CB-CE 4.04Å; F54-M58 HydrophobicContact CD1-CE 3.08Å; F54-M58 HydrophobicContact CD2-CE 4.41Å; F54-M58 HydrophobicContact CE1-CE 3.49Å; F54-M58 VanDerWaalsContact CE1-CE 3.49Å; F54-M58 HydrophobicContact CG-CE 3.6Å; F54-M58 HydrophobicContact CZ-CE 4.31Å; M58-I60 PolarHBondContact O-N 3Å; M58-I62 WeakPolarHBondContact O-CB 3.38Å; M58-I62 PolarHBondContact O-N 3.44Å; M58-G63 PolarHBondContact O-N 3.44Å; M58-L182 HydrophobicContact SD-CD2 4.21Å
59P98.4Very high98.3Very high4 Ų435.4 Ų35.43%0.02618%0.176CC..Iπ-helixtrans-59.8-39.9175.2-33.242.7000114.4Y6 F9 F54 F55 G63 G64 L92Y6-P59 HydrophobicContact CD1-CB 3.98Å; F9-P59 HydrophobicContact CD1-CB 4.29Å; F9-P59 HydrophobicContact CE1-CG 4.38Å; F54-P59 VanDerWaalsContact O-CD 3.24Å; F54-P59 WeakPolarHBondContact O-CD 3.3Å; F54-P59 VanDerWaalsContact O-CG 3.31Å; F54-P59 WeakPolarHBondContact O-CG 3.27Å; F55-P59 WeakPolarHBondContact O-CG 3.41Å; P59-G63 CarbonylContact O-C 3.3Å; P59-G63 VanDerWaalsContact O-C 3.3Å; P59-G63 WeakPolarHBondContact O-CA 3.44Å; P59-G63 PolarHBondContact O-N 3.26Å; P59-G64 PolarHBondContact O-N 2.87Å; P59-L92 HydrophobicContact CB-CD1 4.05Å; P59-L92 HydrophobicContact CG-CD1 3.73Å
60I98.6Very high98.3Very high38 Ų3834.5 Ų34.520%0.19517%0.168CC..Iπ-helixtrans-73.3-51179.8-69.2176.1000111F7 M56 V57 M58 G64 F65F7-I60 HydrophobicContact CD1-CG2 4.03Å; F7-I60 HydrophobicContact CE1-CG2 3.85Å; M56-I60 HydrophobicContact CG-CD1 3.77Å; M56-I60 VanDerWaalsContact O-CB 3.31Å; M56-I60 WeakPolarHBondContact O-CB 3.47Å; M56-I60 VanDerWaalsContact O-CG1 3.24Å; M56-I60 WeakPolarHBondContact O-CG1 3.35Å; M56-I60 PolarHBondContact O-N 3.01Å; V57-I60 PolarHBondContact O-N 3.31Å; M58-I60 PolarHBondContact O-N 3Å; I60-G64 WeakPolarHBondContact O-CA 3.35Å; I60-G64 PolarHBondContact O-N 3.44Å; I60-F65 HydrophobicContact CG2-CD2 4.3Å; I60-F65 HydrophobicContact CG2-CE2 4.09Å; I60-F65 WeakPolarHBondContact O-CD2 3.42Å; I60-F65 PolarHBondContact O-N 3.33Å
61M97.9Very high98.2Very high96 Ų9634.9 Ų34.947%0.47317%0.171SC..Iπ-helixtrans-75.5-47.1-170.5-64.1-57.4-6500112.4V57 F65 G66V57-M61 HydrophobicContact CG1-CG 4.27Å; V57-M61 VanDerWaalsContact O-CB 3.28Å; V57-M61 WeakPolarHBondContact O-CB 3.43Å; V57-M61 WeakPolarHBondContact O-CG 3.41Å; V57-M61 PolarHBondContact O-N 3.12Å; M61-F65 HydrophobicContact SD-CD2 4.04Å; M61-F65 HydrophobicContact SD-CE2 4.21Å; M61-G66 PolarHBondContact O-N 3.28Å
62I97.4Very high98.2Very high30 Ų3040.5 Ų40.515%0.15420%0.201CC..Iπ-helixtrans-94.6-46.3-176.8-56.1-56.7000110.3M58 G66 F151 T178 L182M58-I62 WeakPolarHBondContact O-CB 3.38Å; M58-I62 PolarHBondContact O-N 3.44Å; I62-G66 VanDerWaalsContact O-CA 3.25Å; I62-G66 WeakPolarHBondContact O-CA 3.49Å; I62-G66 PolarHBondContact O-N 3.13Å; I62-F151 HydrophobicContact CG2-CD2 4.23Å; I62-F151 HydrophobicContact CG2-CE2 3.76Å; I62-F151 VanDerWaalsContact O-CZ 3.25Å; I62-F151 WeakPolarHBondContact O-CZ 3.38Å; I62-T178 HydrophobicContact CD1-CG2 3.64Å; I62-T178 HydrophobicContact CG1-CG2 4.08Å; I62-L182 HydrophobicContact CG2-CD1 4.49Å
63G97.4Very high98.2Very high6 Ų641.9 Ų41.96%0.06221%0.208CC..Iπ-helixtrans-67.8-54.9177.800000113.1Y6 M58 P59 N67Y6-G63 WeakPolarHBondContact CD2-O 3.28Å; Y6-G63 VanDerWaalsContact CG-C 3.49Å; M58-G63 PolarHBondContact O-N 3.44Å; P59-G63 CarbonylContact O-C 3.3Å; P59-G63 VanDerWaalsContact O-C 3.3Å; P59-G63 WeakPolarHBondContact O-CA 3.44Å; P59-G63 PolarHBondContact O-N 3.26Å; G63-N67 WeakPolarHBondContact O-CB 3.37Å; G63-N67 PolarHBondContact O-N 3.43Å; G63-N67 PolarHBondContact O-ND2 3.12Å
64G98.4Very high98.1Very high0 Ų038.8 Ų38.80%019%0.191CC..Iπ-helixtrans-75-69.5-173.300000112.1G3 P59 I60 G66 N67 W68G3-G64 WeakPolarHBondContact O-CA 3.48Å; P59-G64 PolarHBondContact O-N 2.87Å; I60-G64 WeakPolarHBondContact O-CA 3.35Å; I60-G64 PolarHBondContact O-N 3.44Å; G64-G66 VanDerWaalsContact C-N 3.34Å; G64-G66 PolarHBondContact O-N 3.47Å; G64-N67 PolarHBondContact O-N 2.92Å; G64-W68 WeakPolarHBondContact O-CB 3.3Å; G64-W68 PolarHBondContact O-N 3.5Å
65F98.6Very high98.1Very high79 Ų7940.3 Ų40.335%0.34621%0.214SC..Iπ-helixtrans-62.5-40.8-179.3-74.7-65.6000112F7 I60 M61 W68 L69 F171F7-F65 HydrophobicContact CE1-CD1 4.24Å; F7-F65 AromaticContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CD2 3.76Å; F7-F65 HydrophobicContact CE1-CE1 4.22Å; F7-F65 AromaticContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CE2 3.75Å; F7-F65 HydrophobicContact CE1-CG 4.01Å; F7-F65 AromaticContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CE1-CZ 3.98Å; F7-F65 HydrophobicContact CZ-CB 4.26Å; F7-F65 AromaticContact CZ-CD1 3.58Å; F7-F65 HydrophobicContact CZ-CD1 3.58Å; F7-F65 AromaticContact CZ-CD2 3.89Å; F7-F65 HydrophobicContact CZ-CD2 3.89Å; F7-F65 AromaticContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE1 3.77Å; F7-F65 HydrophobicContact CZ-CE2 4.08Å; F7-F65 AromaticContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CG 3.63Å; F7-F65 HydrophobicContact CZ-CZ 4.02Å; F7-F65 VanDerWaalsContact CZ-N 3.26Å; I60-F65 HydrophobicContact CG2-CD2 4.3Å; I60-F65 HydrophobicContact CG2-CE2 4.09Å; I60-F65 WeakPolarHBondContact O-CD2 3.42Å; I60-F65 PolarHBondContact O-N 3.33Å; M61-F65 HydrophobicContact SD-CD2 4.04Å; M61-F65 HydrophobicContact SD-CE2 4.21Å; F65-W68 PolarHBondContact O-N 3.23Å; F65-L69 HydrophobicContact CB-CD1 4.37Å; F65-L69 HydrophobicContact CD1-CD1 3.78Å; F65-L69 HydrophobicContact CD1-CG 4.46Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.28Å; F65-L69 PolarHBondContact O-N 3.21Å; F65-F171 HydrophobicContact CB-CE2 4.29Å; F65-F171 HydrophobicContact CB-CZ 3.77Å
66G98.4Very high98Very high0 Ų040.8 Ų40.80%022%0.218CC..Iπ-helixtrans-58.1-54.7177.500000112.1M61 I62 G64 W68 V70M61-G66 PolarHBondContact O-N 3.28Å; I62-G66 VanDerWaalsContact O-CA 3.25Å; I62-G66 WeakPolarHBondContact O-CA 3.49Å; I62-G66 PolarHBondContact O-N 3.13Å; G64-G66 VanDerWaalsContact C-N 3.34Å; G64-G66 PolarHBondContact O-N 3.47Å; G66-W68 VanDerWaalsContact C-N 3.28Å; G66-W68 PolarHBondContact O-N 2.84Å; G66-V70 WeakPolarHBondContact O-CB 3.24Å; G66-V70 VanDerWaalsContact O-CG2 3.29Å; G66-V70 WeakPolarHBondContact O-CG2 3.37Å; G66-V70 PolarHBondContact O-N 3.3Å
67N98.4Very high97.9Very high17 Ų1745 Ų459%0.09125%0.248CC..Hα-helixtrans-69-25.9-178.2-76.9-68.6000114G63 G64 N85G63-N67 WeakPolarHBondContact O-CB 3.37Å; G63-N67 PolarHBondContact O-N 3.43Å; G63-N67 PolarHBondContact O-ND2 3.12Å; G64-N67 PolarHBondContact O-N 2.92Å; N67-N85 PolarHBondContact OD1-ND2 2.96Å; N67-N85 PolarHBondContact OD1-OD1 3.41Å
68W97.3Very high97.8Very high126 Ų12645.3 Ų45.348%0.47725%0.247SC..Hα-helixtrans-79.9-51.6177.1-161.6-41.9000111.3F7 G64 F65 G66 L72F7-W68 AromaticContact CD2-CE3 3.79Å; F7-W68 HydrophobicContact CD2-CE3 3.79Å; F7-W68 AromaticContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CD2-CZ3 3.96Å; F7-W68 HydrophobicContact CE2-CD2 4.41Å; F7-W68 AromaticContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CE3 3.52Å; F7-W68 HydrophobicContact CE2-CZ3 4.03Å; G64-W68 WeakPolarHBondContact O-CB 3.3Å; G64-W68 PolarHBondContact O-N 3.5Å; F65-W68 PolarHBondContact O-N 3.23Å; G66-W68 VanDerWaalsContact C-N 3.28Å; G66-W68 PolarHBondContact O-N 2.84Å; W68-L72 VanDerWaalsContact O-CD1 3.3Å; W68-L72 WeakPolarHBondContact O-CD1 3.37Å; W68-L72 WeakPolarHBondContact O-CG 3.43Å
69L98.4Very high97.8Very high51 Ų5143.9 Ų43.927%0.26724%0.24SC..Hα-helixtrans-92.2-32.4-165.6-60.4179.3000113.6F65 L72 M73 F171F65-L69 HydrophobicContact CB-CD1 4.37Å; F65-L69 HydrophobicContact CD1-CD1 3.78Å; F65-L69 HydrophobicContact CD1-CG 4.46Å; F65-L69 VanDerWaalsContact O-CB 3.28Å; F65-L69 WeakPolarHBondContact O-CB 3.28Å; F65-L69 PolarHBondContact O-N 3.21Å; L69-L72 PolarHBondContact O-N 3.42Å; L69-M73 HydrophobicContact CB-CE 4.08Å; L69-M73 HydrophobicContact CB-SD 4.35Å; L69-M73 HydrophobicContact CD1-CE 4.17Å; L69-M73 VanDerWaalsContact O-CB 3.31Å; L69-M73 WeakPolarHBondContact O-CB 3.24Å; L69-M73 VanDerWaalsContact O-CG 3.27Å; L69-M73 WeakPolarHBondContact O-CG 3.5Å; L69-M73 PolarHBondContact O-N 2.76Å; L69-F171 HydrophobicContact CB-CD1 4.19Å; L69-F171 HydrophobicContact CB-CE1 3.73Å; L69-F171 HydrophobicContact CD1-CD1 4.49Å; L69-F171 HydrophobicContact CD1-CE1 4.13Å; L69-F171 HydrophobicContact CD1-CZ 4.32Å
70V98.5Very high97.7Very high0 Ų045.1 Ų45.10%025%0.251CS..Hα-helixtrans-61.2-50.8-174.2171.90000112.2G66 L72 M73 L74 F151 V155 F171 V172 V175G66-V70 WeakPolarHBondContact O-CB 3.24Å; G66-V70 VanDerWaalsContact O-CG2 3.29Å; G66-V70 WeakPolarHBondContact O-CG2 3.37Å; G66-V70 PolarHBondContact O-N 3.3Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.99Å; V70-M73 PolarHBondContact O-N 3.44Å; V70-L74 HydrophobicContact CG1-CD1 3.99Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.94Å; V70-L74 VanDerWaalsContact O-N 3.13Å; V70-F151 HydrophobicContact CB-CD1 4.48Å; V70-F151 HydrophobicContact CB-CE1 4.4Å; V70-F151 HydrophobicContact CG1-CD1 4.47Å; V70-F151 HydrophobicContact CG2-CD1 4.35Å; V70-F151 HydrophobicContact CG2-CE1 4.27Å; V70-V155 HydrophobicContact CG1-CG2 3.67Å; V70-F171 HydrophobicContact CG2-CE1 4.04Å; V70-V172 HydrophobicContact CG1-CG1 4.41Å; V70-V175 HydrophobicContact CG2-CB 4.14Å; V70-V175 HydrophobicContact CG2-CG1 4.04Å; V70-V175 HydrophobicContact CG2-CG2 4.04Å
71P97.9Very high97.7Very high10 Ų1047.1 Ų47.17%0.06526%0.258CS..Hα-helixtrans-59.1-44.3177.7-25.936.4000112.3M73 L74 G75 A76 M79P71-M73 PolarHBondContact O-N 3.32Å; P71-L74 PolarHBondContact O-N 3.13Å; P71-G75 PolarHBondContact O-N 3.42Å; P71-A76 HydrophobicContact CB-CB 4.22Å; P71-A76 PolarHBondContact O-N 3.38Å; P71-M79 HydrophobicContact CG-CG 4.09Å; P71-M79 HydrophobicContact CG-SD 3.44Å; P71-M79 WeakPolarHBondContact CG-SD 3.25Å
72L97.8Very high97.7Very high119 Ų11945.4 Ų45.462%0.62325%0.254SS*.Hα-helixtrans-61.6-45.4-179.5-63.4178.9000112.1W68 L69 V70 L74 G75W68-L72 VanDerWaalsContact O-CD1 3.3Å; W68-L72 WeakPolarHBondContact O-CD1 3.37Å; W68-L72 WeakPolarHBondContact O-CG 3.43Å; L69-L72 PolarHBondContact O-N 3.42Å; V70-L72 VanDerWaalsContact C-N 3.32Å; V70-L72 PolarHBondContact O-N 2.99Å; L72-L74 PolarHBondContact O-N 3.46Å; L72-G75 PolarHBondContact O-N 2.89Å; L72-G75 VanDerWaalsContact O-N 3.17Å
73M98.2Very high97.7Very high70 Ų7054.8 Ų54.835%0.34529%0.288SS..Hα-helixtrans-68.5-22179.6-74.7-176.6-179.800113.3L69 V70 P71 P169 F171 V172L69-M73 HydrophobicContact CB-CE 4.08Å; L69-M73 HydrophobicContact CB-SD 4.35Å; L69-M73 HydrophobicContact CD1-CE 4.17Å; L69-M73 VanDerWaalsContact O-CB 3.31Å; L69-M73 WeakPolarHBondContact O-CB 3.24Å; L69-M73 VanDerWaalsContact O-CG 3.27Å; L69-M73 WeakPolarHBondContact O-CG 3.5Å; L69-M73 PolarHBondContact O-N 2.76Å; V70-M73 PolarHBondContact O-N 3.44Å; P71-M73 PolarHBondContact O-N 3.32Å; M73-P169 HydrophobicContact CB-CG 4.22Å; M73-P169 HydrophobicContact SD-CB 4.25Å; M73-F171 HydrophobicContact CE-CB 4.42Å; M73-F171 HydrophobicContact CE-CD1 4.17Å; M73-F171 HydrophobicContact SD-CB 4.07Å; M73-F171 HydrophobicContact SD-CD1 3.68Å; M73-F171 HydrophobicContact SD-CG 4.28Å; M73-V172 HydrophobicContact CB-CG2 3.73Å; M73-V172 HydrophobicContact SD-CG2 4.07Å
74L97.7Very high97.8Very high0 Ų057.4 Ų57.40%030%0.299CS..Hα-helixtrans-92.1-11.6174.4-68-177.9000113.6V70 P71 L72 A76 V155 R159 S160 I163 M168 V172V70-L74 HydrophobicContact CG1-CD1 3.99Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.94Å; V70-L74 VanDerWaalsContact O-N 3.13Å; P71-L74 PolarHBondContact O-N 3.13Å; L72-L74 PolarHBondContact O-N 3.46Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 HydrophobicContact CB-CB 4.41Å; L74-V155 HydrophobicContact CD1-CB 4.2Å; L74-V155 HydrophobicContact CD1-CG1 4.31Å; L74-V155 HydrophobicContact CD1-CG2 3.93Å; L74-R159 HydrophobicContact CD1-CG 4.3Å; L74-R159 HydrophobicContact CD2-CG 3.86Å; L74-S160 WeakPolarHBondContact O-CB 3.33Å; L74-S160 PolarHBondContact O-N 3.41Å; L74-S160 PolarHBondContact O-OG 3.28Å; L74-I163 HydrophobicContact CD2-CG2 4.48Å; L74-M168 HydrophobicContact CD2-CG 4.41Å; L74-M168 HydrophobicContact CD2-SD 4.37Å; L74-V172 HydrophobicContact CD1-CG1 4.42Å; L74-V172 HydrophobicContact CD2-CG1 4.04Å; L74-V172 HydrophobicContact CD2-CG2 4.47Å; L74-V172 HydrophobicContact CG-CG1 4.34Å
75G96.9Very high97.7Very high55 Ų5557.7 Ų57.757%0.56730%0.301SS*.THydrogen-bonded Turntrans69.423.9-168.800000113.1P71 L72P71-G75 PolarHBondContact O-N 3.42Å; L72-G75 PolarHBondContact O-N 2.89Å; L72-G75 VanDerWaalsContact O-N 3.17Å
76A97.3Very high97.7Very high10 Ų1057.1 Ų57.18%0.08330%0.301CS..  trans-81.9142.6176.600000110.6P71 L74 D78 M158P71-A76 HydrophobicContact CB-CB 4.22Å; P71-A76 PolarHBondContact O-N 3.38Å; L74-A76 VanDerWaalsContact C-N 3.26Å; L74-A76 HydrophobicContact CB-CB 4.41Å; A76-D78 VanDerWaalsContact C-N 3.34Å; A76-M158 HydrophobicContact CB-CB 3.94Å; A76-M158 HydrophobicContact CB-CE 4.46Å; A76-M158 WeakPolarHBondContact CB-O 3.47Å
77P95.7Very high97.7Very high129 Ų12962 Ų6284%0.83833%0.325SS*.SBendtrans-69.2-31.1178.726.9-34.4000113.3M158P77-M158 HydrophobicContact CG-CE 4.32Å
78D95.9Very high97.7Very high77 Ų7761.3 Ų61.341%0.41232%0.322SS..SBendtrans-161.6-177.5177.1-162.4-1.3000108.8A76 P82 M158A76-D78 VanDerWaalsContact C-N 3.34Å; D78-P82 WeakPolarHBondContact OD2-CB 3.07Å; D78-P82 VanDerWaalsContact OD2-CG 3.28Å; D78-P82 WeakPolarHBondContact OD2-CG 3.48Å; D78-M158 WeakPolarHBondContact O-CE 3.46Å
79M97.9Very high97.8Very high5 Ų555.8 Ų55.83%0.02530%0.301CS..  trans-68.2155.5167.4-60.3-65.2-69.200112P71 F81 P82 N150 F151 T154P71-M79 HydrophobicContact CG-CG 4.09Å; P71-M79 HydrophobicContact CG-SD 3.44Å; P71-M79 WeakPolarHBondContact CG-SD 3.25Å; M79-F81 VanDerWaalsContact C-N 3.32Å; M79-F81 PolarHBondContact O-N 3.09Å; M79-P82 WeakPolarHBondContact O-CD 3.37Å; M79-P82 WeakPolarHBondContact O-CG 3.38Å; M79-N150 HydrophobicContact CE-CB 4.41Å; M79-N150 WeakPolarHBondContact CE-ND2 3.22Å; M79-F151 HydrophobicContact CE-CD1 3.44Å; M79-F151 VanDerWaalsContact CE-CD1 3.44Å; M79-F151 HydrophobicContact CE-CE1 3.51Å; M79-F151 HydrophobicContact CE-CG 4.12Å; M79-F151 HydrophobicContact CE-CZ 4.28Å; M79-F151 HydrophobicContact SD-CD1 4.46Å; M79-F151 HydrophobicContact SD-CE1 4.22Å; M79-T154 HydrophobicContact CE-CG2 4.45Å; M79-T154 HydrophobicContact SD-CG2 4.04Å
80A97.9Very high97.8Very high30 Ų3060.2 Ų60.225%0.24831%0.314CS..SBendtrans-62.5-36.1-179.200000113.5P82 N150 T153 T154 M158A80-P82 WeakPolarHBondContact O-CD 3.33Å; A80-N150 PolarHBondContact N-OD1 3.28Å; A80-T153 HydrophobicContact CB-CG2 3.72Å; A80-T154 WeakPolarHBondContact CB-OG1 3.36Å; A80-T154 PolarHBondContact N-OG1 2.87Å; A80-M158 WeakPolarHBondContact CA-SD 3.49Å; A80-M158 HydrophobicContact CB-SD 3.67Å; A80-M158 PolarHBondContact N-SD 3.07Å
81F98.4Very high97.8Very high79 Ų7961.6 Ų61.635%0.34632%0.321SS..  trans-124.176.6179.6-52-54.9000111.7M79 R83 M84 N85 V149 N150 T153M79-F81 VanDerWaalsContact C-N 3.32Å; M79-F81 PolarHBondContact O-N 3.09Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.42Å; F81-M84 HydrophobicContact CB-CB 3.69Å; F81-M84 HydrophobicContact CB-SD 4.34Å; F81-M84 HydrophobicContact CD2-CE 4.24Å; F81-M84 HydrophobicContact CD2-SD 4.11Å; F81-M84 HydrophobicContact CG-CE 4.42Å; F81-M84 PolarHBondContact O-N 3.18Å; F81-N85 PolarHBondContact O-N 3.26Å; F81-V149 HydrophobicContact CE2-CG1 4.24Å; F81-N150 HydrophobicContact CD2-CB 4.28Å; F81-N150 PolarHBondContact N-OD1 3.21Å; F81-T153 HydrophobicContact CE2-CG2 3.71Å; F81-T153 WeakPolarHBondContact CE2-OG1 3.47Å; F81-T153 HydrophobicContact CZ-CG2 3.67Å
82P97.6Very high97.8Very high60 Ų6061.2 Ų61.239%0.3932%0.319SS..Hα-helixtrans-60.1-36.6-173.4-26.335.7000114.2D78 M79 A80 N85 N86D78-P82 WeakPolarHBondContact OD2-CB 3.07Å; D78-P82 VanDerWaalsContact OD2-CG 3.28Å; D78-P82 WeakPolarHBondContact OD2-CG 3.48Å; M79-P82 WeakPolarHBondContact O-CD 3.37Å; M79-P82 WeakPolarHBondContact O-CG 3.38Å; A80-P82 WeakPolarHBondContact O-CD 3.33Å; P82-N85 VanDerWaalsContact O-CB 3.28Å; P82-N85 WeakPolarHBondContact O-CB 3.49Å; P82-N85 PolarHBondContact O-N 2.85Å; P82-N86 PolarHBondContact O-N 3.15Å
83R98.1Very high97.9Very high228 Ų22857.3 Ų57.386%0.8630%0.301SS*.Hα-helixtrans-72.1-39.3178.2-66.2-176-177175.51.1112.7F81 N85 N86 M87F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.42Å; R83-N85 PolarHBondContact O-N 3.36Å; R83-N86 PolarHBondContact O-N 2.93Å; R83-M87 PolarHBondContact O-N 3.3Å
84M97.7Very high97.9Very high61 Ų6156.8 Ų56.830%0.330%0.302SS..Hα-helixtrans-63.5-37.3173.1-174.9-174.1-68.100110.3F81 M87 S88 L146 V149F81-M84 HydrophobicContact CB-CB 3.69Å; F81-M84 HydrophobicContact CB-SD 4.34Å; F81-M84 HydrophobicContact CD2-CE 4.24Å; F81-M84 HydrophobicContact CD2-SD 4.11Å; F81-M84 HydrophobicContact CG-CE 4.42Å; F81-M84 PolarHBondContact O-N 3.18Å; M84-M87 PolarHBondContact O-N 2.88Å; M84-S88 WeakPolarHBondContact O-CB 3.32Å; M84-S88 PolarHBondContact O-N 3.43Å; M84-L146 HydrophobicContact CG-CB 3.95Å; M84-L146 HydrophobicContact CG-CD2 3.91Å; M84-L146 HydrophobicContact CG-CG 4.33Å; M84-L146 HydrophobicContact SD-CB 4.37Å; M84-L146 HydrophobicContact SD-CD2 4Å; M84-V149 HydrophobicContact SD-CG1 4.48Å
85N98.1Very high98Very high6 Ų656.8 Ų56.83%0.03230%0.302CS..Hα-helixtrans-61.6-44.7174.6-158.232.9000112.8N67 F81 P82 R83 S88 F89 N150N67-N85 PolarHBondContact OD1-ND2 2.96Å; N67-N85 PolarHBondContact OD1-OD1 3.41Å; F81-N85 PolarHBondContact O-N 3.26Å; P82-N85 VanDerWaalsContact O-CB 3.28Å; P82-N85 WeakPolarHBondContact O-CB 3.49Å; P82-N85 PolarHBondContact O-N 2.85Å; R83-N85 PolarHBondContact O-N 3.36Å; N85-S88 WeakPolarHBondContact O-CB 3.03Å; N85-S88 PolarHBondContact O-N 3.21Å; N85-F89 PolarHBondContact O-N 3Å; N85-N150 WeakPolarHBondContact CB-ND2 3.37Å
86N98.2Very high98.1Very high66 Ų6654.4 Ų54.435%0.35328%0.277SS..Hα-helixtrans-62.3-45175-174.448.1000111.1I2 P82 R83 S88 F89 W90I2-N86 HydrophobicContact CD1-CB 4.06Å; I2-N86 WeakPolarHBondContact CD1-OD1 3.36Å; P82-N86 PolarHBondContact O-N 3.15Å; R83-N86 PolarHBondContact O-N 2.93Å; N86-S88 VanDerWaalsContact C-N 3.34Å; N86-S88 PolarHBondContact O-N 3.03Å; N86-F89 PolarHBondContact O-N 3.2Å; N86-W90 PolarHBondContact O-N 3.47Å; N86-W90 VanDerWaalsContact O-N 3.08Å; N86-W90 PolarHBondContact OD1-NE1 3Å
87M98.2Very high98.1Very high103 Ų10357.1 Ų57.151%0.50730%0.295SS..Hα-helixtrans-60-43.1175.9-178.3178.217700112.2R83 M84 F89 W90 L91 L146R83-M87 PolarHBondContact O-N 3.3Å; M84-M87 PolarHBondContact O-N 2.88Å; M87-F89 VanDerWaalsContact C-N 3.29Å; M87-F89 PolarHBondContact O-N 3.18Å; M87-W90 PolarHBondContact O-N 3.37Å; M87-W90 VanDerWaalsContact O-N 3.17Å; M87-L91 HydrophobicContact CE-CD1 4.4Å; M87-L91 HydrophobicContact CG-CD1 4.41Å; M87-L91 WeakPolarHBondContact O-CG 3.32Å; M87-L91 PolarHBondContact O-N 3.07Å; M87-L146 HydrophobicContact CE-CD1 4.3Å; M87-L146 HydrophobicContact CG-CD1 4.1Å; M87-L146 HydrophobicContact SD-CD1 4.05Å
88S98.3Very high98.3Very high2 Ų253.2 Ų53.21%0.01427%0.267CS..Hα-helixtrans-53.1-46.9175.9168.80000110.9Y6 M84 N85 N86 S143Y6-S88 VanDerWaalsContact OH-C 3.27Å; Y6-S88 PolarHBondContact OH-OG 2.69Å; M84-S88 WeakPolarHBondContact O-CB 3.32Å; M84-S88 PolarHBondContact O-N 3.43Å; N85-S88 WeakPolarHBondContact O-CB 3.03Å; N85-S88 PolarHBondContact O-N 3.21Å; N86-S88 VanDerWaalsContact C-N 3.34Å; N86-S88 PolarHBondContact O-N 3.03Å; S88-S143 WeakPolarHBondContact CB-O 3.34Å; S88-S143 WeakPolarHBondContact O-CB 3.25Å; S88-S143 PolarHBondContact O-OG 3.16Å; S88-S143 PolarHBondContact OG-O 3.22Å
89F98.8Very high98.4Very high11 Ų1149.7 Ų49.75%0.04825%0.248CC..Hα-helixtrans-63.7-49.2175.4171.7-100.3000112.6I2 L5 Y6 F9 N85 N86 M87 L91 L92 P93I2-F89 HydrophobicContact CG2-CB 4.13Å; L5-F89 VanDerWaalsContact C-CE2 3.45Å; L5-F89 HydrophobicContact CB-CD1 4.25Å; L5-F89 HydrophobicContact CB-CD2 4.06Å; L5-F89 HydrophobicContact CB-CE1 3.86Å; L5-F89 HydrophobicContact CB-CE2 3.64Å; L5-F89 HydrophobicContact CB-CG 4.35Å; L5-F89 HydrophobicContact CB-CZ 3.55Å; L5-F89 HydrophobicContact CD1-CD1 4.06Å; L5-F89 HydrophobicContact CD1-CE1 3.85Å; L5-F89 HydrophobicContact CD1-CZ 4.39Å; L5-F89 HydrophobicContact CG-CE1 4.37Å; L5-F89 HydrophobicContact CG-CZ 4.42Å; L5-F89 WeakPolarHBondContact O-CE2 3.13Å; Y6-F89 AromaticContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD1-CD2 3.97Å; Y6-F89 HydrophobicContact CD2-CB 4.36Å; Y6-F89 HydrophobicContact CD2-CD2 4.05Å; Y6-F89 HydrophobicContact CE1-CB 4.47Å; Y6-F89 HydrophobicContact CE1-CD2 4.11Å; Y6-F89 HydrophobicContact CE2-CB 3.74Å; Y6-F89 HydrophobicContact CE2-CD2 4.17Å; Y6-F89 HydrophobicContact CE2-CG 4.42Å; Y6-F89 AromaticContact CG-CD2 3.94Å; Y6-F89 HydrophobicContact CG-CD2 3.94Å; Y6-F89 WeakPolarHBondContact OH-CA 3.24Å; Y6-F89 PolarHBondContact OH-N 3.1Å; Y6-F89 VanDerWaalsContact OH-N 3.12Å; F9-F89 HydrophobicContact CB-CE2 3.9Å; F9-F89 HydrophobicContact CB-CZ 4.37Å; F9-F89 HydrophobicContact CG-CE2 4.39Å; N85-F89 PolarHBondContact O-N 3Å; N86-F89 PolarHBondContact O-N 3.2Å; M87-F89 VanDerWaalsContact C-N 3.29Å; M87-F89 PolarHBondContact O-N 3.18Å; F89-L91 PolarHBondContact O-N 3.3Å; F89-L91 VanDerWaalsContact O-N 3.1Å; F89-L92 WeakPolarHBondContact O-CB 3.36Å; F89-L92 PolarHBondContact O-N 3.48Å; F89-P93 VanDerWaalsContact O-CD 3.29Å; F89-P93 WeakPolarHBondContact O-CD 3.42Å
90W98.7Very high98.4Very high143 Ų14351.8 Ų51.854%0.54226%0.259SS..Hα-helixtrans-68.9-10.8-172.1-78.1110.8000115N86 M87 P93 P94N86-W90 PolarHBondContact O-N 3.47Å; N86-W90 VanDerWaalsContact O-N 3.08Å; N86-W90 PolarHBondContact OD1-NE1 3Å; M87-W90 PolarHBondContact O-N 3.37Å; M87-W90 VanDerWaalsContact O-N 3.17Å; W90-P93 HydrophobicContact CE3-CG 4.4Å; W90-P94 WeakPolarHBondContact O-CD 3.38Å
91L98.7Very high98.5Very high29 Ų2953.1 Ų53.115%0.15226%0.264CS..THydrogen-bonded Turntrans-76.3-20.5169.3-70.2171.2000113.2M87 F89 P94 A95 L139 I142 L146M87-L91 HydrophobicContact CE-CD1 4.4Å; M87-L91 HydrophobicContact CG-CD1 4.41Å; M87-L91 WeakPolarHBondContact O-CG 3.32Å; M87-L91 PolarHBondContact O-N 3.07Å; F89-L91 PolarHBondContact O-N 3.3Å; F89-L91 VanDerWaalsContact O-N 3.1Å; L91-P94 WeakPolarHBondContact O-CD 3.45Å; L91-P94 WeakPolarHBondContact O-CG 3.31Å; L91-A95 VanDerWaalsContact O-CB 3.24Å; L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 2.85Å; L91-L139 HydrophobicContact CD2-CD2 4.27Å; L91-I142 HydrophobicContact CD1-CB 4.13Å; L91-I142 HydrophobicContact CD1-CG2 3.57Å; L91-L146 HydrophobicContact CD1-CD1 4.06Å
92L98.8Very high98.5Very high3 Ų349.3 Ų49.32%0.01625%0.247CC..Hα-helixtrans-73-43.6-177.4-66.2-178.5000114.6Y6 F9 P59 F89 A95 L96 A140Y6-L92 HydrophobicContact CD1-CD1 3.9Å; Y6-L92 HydrophobicContact CE1-CD1 3.43Å; Y6-L92 VanDerWaalsContact CE1-CD1 3.43Å; F9-L92 HydrophobicContact CD1-CB 4.33Å; F9-L92 HydrophobicContact CD1-CD1 4.12Å; F9-L92 HydrophobicContact CE1-CB 3.74Å; F9-L92 HydrophobicContact CE1-CD1 3.96Å; F9-L92 HydrophobicContact CE1-CG 4.42Å; F9-L92 HydrophobicContact CE2-CB 4.36Å; F9-L92 HydrophobicContact CZ-CB 3.74Å; P59-L92 HydrophobicContact CB-CD1 4.05Å; P59-L92 HydrophobicContact CG-CD1 3.73Å; F89-L92 WeakPolarHBondContact O-CB 3.36Å; F89-L92 PolarHBondContact O-N 3.48Å; L92-A95 WeakPolarHBondContact O-CB 3.38Å; L92-A95 PolarHBondContact O-N 2.88Å; L92-L96 PolarHBondContact O-N 2.89Å; L92-A140 HydrophobicContact CD2-CB 4.37Å
93P98.8Very high98.4Very high37 Ų3748.1 Ų48.124%0.2424%0.24CC..Hα-helixtrans-57.9-46.5176.3-25.134.3000115.1F9 F89 W90 A95 L96 S97F9-P93 HydrophobicContact CD2-CG 4.36Å; F9-P93 HydrophobicContact CE2-CB 4.5Å; F9-P93 HydrophobicContact CE2-CG 4.26Å; F89-P93 VanDerWaalsContact O-CD 3.29Å; F89-P93 WeakPolarHBondContact O-CD 3.42Å; W90-P93 HydrophobicContact CE3-CG 4.4Å; P93-A95 VanDerWaalsContact C-N 3.35Å; P93-L96 PolarHBondContact O-N 3.45Å; P93-S97 WeakPolarHBondContact O-CB 3.49Å; P93-S97 PolarHBondContact O-N 3.35Å; P93-S97 PolarHBondContact O-OG 3.36Å
94P98.8Very high98.3Very high58 Ų5844 Ų4438%0.37723%0.233SC..Hα-helixtrans-68-35.1174.325.3-31.8000111.9W90 L91 S97 L98 L139W90-P94 WeakPolarHBondContact O-CD 3.38Å; L91-P94 WeakPolarHBondContact O-CD 3.45Å; L91-P94 WeakPolarHBondContact O-CG 3.31Å; P94-S97 WeakPolarHBondContact O-CB 3.45Å; P94-S97 PolarHBondContact O-N 3.25Å; P94-L98 WeakPolarHBondContact O-CG 3.42Å; P94-L98 PolarHBondContact O-N 3.02Å; P94-L139 HydrophobicContact CB-CD1 4.29Å; P94-L139 HydrophobicContact CG-CD1 4.39Å
95A98.8Very high98.3Very high0 Ų043.2 Ų43.20%023%0.231CC..Hα-helixtrans-59.4-47.9174.100000112F55 L91 L92 P93 S97 L98 L99 S136 L139 A140F55-A95 HydrophobicContact CE1-CB 3.68Å; F55-A95 HydrophobicContact CZ-CB 3.89Å; L91-A95 VanDerWaalsContact O-CB 3.24Å; L91-A95 WeakPolarHBondContact O-CB 3.42Å; L91-A95 PolarHBondContact O-N 2.85Å; L92-A95 WeakPolarHBondContact O-CB 3.38Å; L92-A95 PolarHBondContact O-N 2.88Å; P93-A95 VanDerWaalsContact C-N 3.35Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.31Å; A95-L99 PolarHBondContact O-N 3.47Å; A95-L99 VanDerWaalsContact O-N 3.12Å; A95-S136 VanDerWaalsContact O-CB 3.26Å; A95-S136 WeakPolarHBondContact O-CB 3.24Å; A95-S136 PolarHBondContact O-OG 3.45Å; A95-L139 HydrophobicContact CB-CB 3.62Å; A95-L139 HydrophobicContact CB-CD1 4.41Å; A95-A140 HydrophobicContact CB-CB 4.42Å
96L98.8Very high98.1Very high6 Ų649.7 Ų49.73%0.03126%0.261CS..Hα-helixtrans-64.7-40.6177.4-17955.6000111.5F9 W12 A13 I51 F55 L92 P93 L98 L99 L100F9-L96 HydrophobicContact CE2-CB 4.27Å; F9-L96 HydrophobicContact CE2-CD2 3.74Å; F9-L96 HydrophobicContact CZ-CB 3.92Å; F9-L96 HydrophobicContact CZ-CD2 3.66Å; F9-L96 HydrophobicContact CZ-CG 4.45Å; W12-L96 HydrophobicContact CE3-CD2 4.08Å; W12-L96 HydrophobicContact CZ3-CD2 3.7Å; A13-L96 HydrophobicContact CB-CD2 3.96Å; I51-L96 HydrophobicContact CD1-CD1 4.43Å; I51-L96 HydrophobicContact CG1-CD1 4.03Å; F55-L96 HydrophobicContact CB-CD1 4.33Å; F55-L96 HydrophobicContact CD1-CB 3.77Å; F55-L96 HydrophobicContact CD1-CD1 4.19Å; F55-L96 HydrophobicContact CD1-CG 4.41Å; F55-L96 HydrophobicContact CD2-CD1 4.22Å; F55-L96 HydrophobicContact CE1-CB 3.78Å; F55-L96 HydrophobicContact CG-CB 4.41Å; F55-L96 HydrophobicContact CG-CD1 3.97Å; F55-L96 HydrophobicContact CZ-CB 4.45Å; L92-L96 PolarHBondContact O-N 2.89Å; P93-L96 PolarHBondContact O-N 3.45Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.34Å; L96-L99 HydrophobicContact CD1-CD2 4.49Å; L96-L99 PolarHBondContact O-N 3.23Å; L96-L99 VanDerWaalsContact O-N 3.16Å; L96-L100 HydrophobicContact CD1-CD1 4.46Å; L96-L100 HydrophobicContact CD1-CG 4.24Å; L96-L100 HydrophobicContact CG-CD1 4.25Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.12Å
97S98.6Very high98Very high67 Ų6752.7 Ų52.747%0.46928%0.277SS..Hα-helixtrans-57.2-45.3174.6-58.60000111.7P93 P94 A95 L99 L100 V101P93-S97 WeakPolarHBondContact O-CB 3.49Å; P93-S97 PolarHBondContact O-N 3.35Å; P93-S97 PolarHBondContact O-OG 3.36Å; P94-S97 WeakPolarHBondContact O-CB 3.45Å; P94-S97 PolarHBondContact O-N 3.25Å; A95-S97 VanDerWaalsContact C-N 3.34Å; A95-S97 PolarHBondContact O-N 3.02Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 2.92Å; S97-L100 PolarHBondContact O-N 3.18Å; S97-V101 WeakPolarHBondContact O-CB 3.4Å; S97-V101 VanDerWaalsContact O-CG2 3.25Å; S97-V101 WeakPolarHBondContact O-CG2 3.48Å; S97-V101 PolarHBondContact O-N 3.22Å
98L98.8Very high97.9Very high47 Ų4747.8 Ų47.825%0.24625%0.253CS..Hα-helixtrans-60.9-39.4176.3-72.1170.8000112.4P94 A95 L96 S102 L132 F135 L139P94-L98 WeakPolarHBondContact O-CG 3.42Å; P94-L98 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.31Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.34Å; L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 3.37Å; L98-L132 HydrophobicContact CD2-CD2 3.82Å; L98-F135 HydrophobicContact CD1-CB 3.96Å; L98-L139 HydrophobicContact CD1-CD1 3.69Å; L98-L139 HydrophobicContact CD1-CG 4.49Å
99L98.7Very high97.9Very high2 Ų247.9 Ų47.91%0.0125%0.254CS..Hα-helixtrans-66.7-41.6176.6179.363.4000112.3F50 I51 F55 A95 L96 S97 S102 S103 S136F50-L99 HydrophobicContact CB-CD1 4.21Å; F50-L99 HydrophobicContact CB-CD2 3.64Å; F50-L99 HydrophobicContact CD2-CD1 3.81Å; F50-L99 HydrophobicContact CG-CD1 4.43Å; I51-L99 HydrophobicContact CG1-CD2 3.7Å; F55-L99 HydrophobicContact CD2-CD2 3.99Å; F55-L99 HydrophobicContact CE2-CD2 3.69Å; A95-L99 PolarHBondContact O-N 3.47Å; A95-L99 VanDerWaalsContact O-N 3.12Å; L96-L99 HydrophobicContact CD1-CD2 4.49Å; L96-L99 PolarHBondContact O-N 3.23Å; L96-L99 VanDerWaalsContact O-N 3.16Å; S97-L99 VanDerWaalsContact C-N 3.32Å; S97-L99 PolarHBondContact O-N 2.92Å; L99-S102 WeakPolarHBondContact O-CB 3.28Å; L99-S102 PolarHBondContact O-N 3.23Å; L99-S103 PolarHBondContact O-N 3.4Å; L99-S103 PolarHBondContact O-OG 3.1Å; L99-S103 VanDerWaalsContact O-OG 3.05Å; L99-S136 WeakPolarHBondContact CB-OG 3.4Å
100L98.4Very high97.8Very high50 Ų5047.5 Ų47.526%0.26225%0.254SS..Hα-helixtrans-66.9-43.8177.6-65.3176.8000110.6V16 I51 L96 S97 S102 S103 M104V16-L100 HydrophobicContact CG1-CD2 4.46Å; I51-L100 HydrophobicContact CD1-CD2 4.16Å; L96-L100 HydrophobicContact CD1-CD1 4.46Å; L96-L100 HydrophobicContact CD1-CG 4.24Å; L96-L100 HydrophobicContact CG-CD1 4.25Å; L96-L100 HydrophobicContact CG-CG 4.46Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.12Å; S97-L100 PolarHBondContact O-N 3.18Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.01Å; L100-S103 WeakPolarHBondContact O-CB 3.34Å; L100-S103 PolarHBondContact O-N 3.37Å; L100-S103 VanDerWaalsContact O-N 3.07Å; L100-M104 WeakPolarHBondContact O-CE 3.28Å; L100-M104 WeakPolarHBondContact O-CG 3.19Å; L100-M104 PolarHBondContact O-N 3.41Å
101V98.6Very high97.8Very high57 Ų5741.2 Ų41.235%0.34523%0.231SC..Hα-helixtrans-64.4-39175.4177.10000111.2S97 S103 M104 V105 L132S97-V101 WeakPolarHBondContact O-CB 3.4Å; S97-V101 VanDerWaalsContact O-CG2 3.25Å; S97-V101 WeakPolarHBondContact O-CG2 3.48Å; S97-V101 PolarHBondContact O-N 3.22Å; V101-S103 PolarHBondContact O-N 2.98Å; V101-S103 VanDerWaalsContact O-N 3.14Å; V101-M104 HydrophobicContact CB-CE 4.5Å; V101-M104 HydrophobicContact CG2-CE 4.09Å; V101-M104 PolarHBondContact O-N 3.44Å; V101-V105 HydrophobicContact CG1-CG2 3.63Å; V101-V105 WeakPolarHBondContact O-CG2 3.37Å; V101-V105 PolarHBondContact O-N 2.91Å; V101-L132 HydrophobicContact CG1-CD1 3.86Å
102S98.5Very high97.7Very high0 Ų040.9 Ų40.90%024%0.235CC..Hα-helixtrans-53.4-32.3171.6167.30000112.5L98 L99 L100 G108 A109 S129 A133L98-S102 WeakPolarHBondContact O-CB 3.36Å; L98-S102 PolarHBondContact O-N 3.37Å; L99-S102 WeakPolarHBondContact O-CB 3.28Å; L99-S102 PolarHBondContact O-N 3.23Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.01Å; S102-G108 VanDerWaalsContact O-CA 3.28Å; S102-G108 WeakPolarHBondContact O-CA 3.23Å; S102-A109 PolarHBondContact O-N 3.48Å; S102-A109 WeakPolarHBondContact OG-CB 3.35Å; S102-S129 VanDerWaalsContact CB-O 3.32Å; S102-S129 WeakPolarHBondContact CB-O 3.45Å; S102-S129 VanDerWaalsContact O-CB 3.3Å; S102-S129 WeakPolarHBondContact O-CB 3.41Å; S102-S129 PolarHBondContact OG-O 2.89Å; S102-A133 WeakPolarHBondContact OG-CB 3.37Å
103S96.8Very high97.6Very high35 Ų3545.1 Ų45.125%0.24525%0.25CS..Hα-helixtrans-81.2-15.6178.5-52.90000113.7L99 L100 V101L99-S103 PolarHBondContact O-N 3.4Å; L99-S103 PolarHBondContact O-OG 3.1Å; L99-S103 VanDerWaalsContact O-OG 3.05Å; L100-S103 WeakPolarHBondContact O-CB 3.34Å; L100-S103 PolarHBondContact O-N 3.37Å; L100-S103 VanDerWaalsContact O-N 3.07Å; V101-S103 PolarHBondContact O-N 2.98Å; V101-S103 VanDerWaalsContact O-N 3.14Å
104M96.4Very high97.5Very high141 Ų14144.2 Ų44.270%0.69524%0.244SC*.Hα-helixtrans-109-16.5-175.1-63.9-176.6-68.600113.7L100 V101L100-M104 WeakPolarHBondContact O-CE 3.28Å; L100-M104 WeakPolarHBondContact O-CG 3.19Å; L100-M104 PolarHBondContact O-N 3.41Å; V101-M104 HydrophobicContact CB-CE 4.5Å; V101-M104 HydrophobicContact CG2-CE 4.09Å; V101-M104 PolarHBondContact O-N 3.44Å
105V96.6Very high97.5Very high45 Ų4541.6 Ų41.627%0.27323%0.227SC..SBendtrans-93.8137.1-179.1168.60000109.7V101 N107 G108 S129 L132V101-V105 HydrophobicContact CG1-CG2 3.63Å; V101-V105 WeakPolarHBondContact O-CG2 3.37Å; V101-V105 PolarHBondContact O-N 2.91Å; V105-N107 PolarHBondContact O-N 2.84Å; V105-G108 PolarHBondContact O-N 3.15Å; V105-G108 VanDerWaalsContact O-N 3.07Å; V105-S129 WeakPolarHBondContact O-CB 3.31Å; V105-L132 HydrophobicContact CB-CD1 4.33Å; V105-L132 HydrophobicContact CG1-CD1 4.49Å; V105-L132 HydrophobicContact CG2-CD1 4.34Å
106E94.9Very high97.4Very high141 Ų14144.3 Ų44.366%0.65924%0.238SC*.THydrogen-bonded Turntrans51.5-135.6-175.3-53.7-58.3155.900111.2G108E106-G108 VanDerWaalsContact C-N 3.26Å; E106-G108 PolarHBondContact O-N 2.94Å
107N94.3Very high97.3Very high129 Ų12944.4 Ų44.469%0.6924%0.239SC*.THydrogen-bonded Turntrans-88.414.5177-66-29.4000113.4Q39 V43 V105Q39-N107 HydrophobicContact CG-CB 4.2Å; Q39-N107 WeakPolarHBondContact CG-O 3.33Å; Q39-N107 PolarHBondContact NE2-O 3.19Å; V43-N107 WeakPolarHBondContact CG2-O 3.25Å; V105-N107 PolarHBondContact O-N 2.84Å
108G97.4Very high97.2Very high1 Ų145 Ų451%0.0124%0.241CC..  trans68.4171.4-175.800000114.4S102 V105 E106 G110 S129S102-G108 VanDerWaalsContact O-CA 3.28Å; S102-G108 WeakPolarHBondContact O-CA 3.23Å; V105-G108 PolarHBondContact O-N 3.15Å; V105-G108 VanDerWaalsContact O-N 3.07Å; E106-G108 VanDerWaalsContact C-N 3.26Å; E106-G108 PolarHBondContact O-N 2.94Å; G108-G110 PolarHBondContact O-N 2.94Å; G108-S129 VanDerWaalsContact C-OG 3.23Å; G108-S129 WeakPolarHBondContact O-CB 3.38Å; G108-S129 PolarHBondContact O-OG 3.47Å
109A97.8Very high97.2Very high4 Ų446.9 Ų46.93%0.03325%0.251CS..  trans-87.382.2174.100000110.7T46 S102 T111 V130 A133T46-A109 VanDerWaalsContact CB-O 3.26Å; T46-A109 WeakPolarHBondContact CB-O 3.29Å; T46-A109 WeakPolarHBondContact CG2-O 3.49Å; T46-A109 PolarHBondContact OG1-O 3.14Å; S102-A109 PolarHBondContact O-N 3.48Å; S102-A109 WeakPolarHBondContact OG-CB 3.35Å; A109-T111 VanDerWaalsContact C-N 3.31Å; A109-T111 PolarHBondContact O-N 3.37Å; A109-V130 HydrophobicContact CB-CG2 4.35Å; A109-A133 HydrophobicContact CB-CB 4.07Å
110G97.2Very high97.1Very high3 Ų346.8 Ų46.83%0.03125%0.251CS..  trans-9135.7-178.700000114.4G108 H125G108-G110 PolarHBondContact O-N 2.94Å; G110-H125 PolarHBondContact N-NE2 3.3Å
111T97.1Very high97Very high10 Ų1045.2 Ų45.26%0.06125%0.245CC..SBendtrans-96.6-1.4-169.262.80000114.2A109 L119 V130A109-T111 VanDerWaalsContact C-N 3.31Å; A109-T111 PolarHBondContact O-N 3.37Å; T111-L119 HydrophobicContact CG2-CG 4.46Å; T111-V130 HydrophobicContact CG2-CG2 3.91Å
112G96.9Very high96.7Very high23 Ų2344.2 Ų44.224%0.23725%0.246CC..THydrogen-bonded Turntrans78.2163.3-16500000111.8T46 T114 V115T46-G112 VanDerWaalsContact OG1-CA 3.25Å; T46-G112 WeakPolarHBondContact OG1-CA 3.42Å; T46-G112 PolarHBondContact OG1-N 3.11Å; G112-T114 PolarHBondContact O-N 3.47Å; G112-V115 PolarHBondContact O-N 3.49Å; G112-V115 VanDerWaalsContact O-N 3.12Å
113W97.1Very high96.4Very high91 Ų9151 Ų5135%0.34528%0.281SS..THydrogen-bonded Turntrans-67.4-16.4-17882.1-79.3000113.8A49 F50 I53 F222 W223A49-W113 HydrophobicContact CB-CB 3.5Å; A49-W113 VanDerWaalsContact CB-CB 3.5Å; A49-W113 HydrophobicContact CB-CG 4.05Å; F50-W113 HydrophobicContact CD1-CB 4.43Å; F50-W113 HydrophobicContact CE1-CB 4.08Å; F50-W113 WeakPolarHBondContact CE1-O 3.5Å; F50-W113 HydrophobicContact CZ-CB 4.33Å; F50-W113 WeakPolarHBondContact CZ-O 3.38Å; I53-W113 HydrophobicContact CD1-CE3 4.35Å; I53-W113 HydrophobicContact CD1-CZ3 4.36Å; W113-F222 HydrophobicContact CD2-CZ 4.39Å; W113-F222 HydrophobicContact CE3-CE1 4.48Å; W113-F222 AromaticContact CE3-CZ 3.8Å; W113-F222 HydrophobicContact CE3-CZ 3.8Å; W113-F222 AromaticContact CH2-CE1 3.8Å; W113-F222 HydrophobicContact CH2-CE1 3.8Å; W113-F222 AromaticContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CZ2-CE1 4.25Å; W113-F222 HydrophobicContact CZ2-CZ 4.48Å; W113-F222 AromaticContact CZ3-CE1 3.94Å; W113-F222 HydrophobicContact CZ3-CE1 3.94Å; W113-F222 AromaticContact CZ3-CZ 3.54Å; W113-F222 HydrophobicContact CZ3-CZ 3.54Å; W113-W223 HydrophobicContact CH2-CH2 4.34Å; W113-W223 HydrophobicContact CH2-CZ3 4.27Å; W113-W223 AromaticContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CZ3 4.24Å
114T97.3Very high96.2Very high18 Ų1852 Ų5211%0.1129%0.291CS..THydrogen-bonded Turntrans-85.6-14.2176.261.60000113.3G112 Y116 Y218 F222 W223G112-T114 PolarHBondContact O-N 3.47Å; T114-Y116 VanDerWaalsContact C-N 3.28Å; T114-Y116 HydrophobicContact CG2-CE1 4.4Å; T114-Y116 HydrophobicContact CG2-CE2 4.21Å; T114-Y116 PolarHBondContact O-N 3.49Å; T114-Y116 VanDerWaalsContact OG1-CD2 3.29Å; T114-Y116 WeakPolarHBondContact OG1-CD2 3.13Å; T114-Y116 VanDerWaalsContact OG1-CE2 3.31Å; T114-Y116 WeakPolarHBondContact OG1-CE2 3.32Å; T114-Y218 WeakPolarHBondContact O-CE1 3.49Å; T114-Y218 PolarHBondContact O-OH 3.19Å; T114-F222 HydrophobicContact CG2-CD1 4.41Å; T114-F222 HydrophobicContact CG2-CE1 3.73Å; T114-F222 HydrophobicContact CG2-CZ 3.98Å; T114-W223 HydrophobicContact CG2-CZ2 4.35Å
115V97.6Very high96.2Very high3 Ų346 Ų462%0.01826%0.261CS..THydrogen-bonded Turntrans53.940.4172.7-157.60000113.4F50 G112 S120 V130 L196F50-V115 HydrophobicContact CE2-CG2 4.26Å; F50-V115 HydrophobicContact CZ-CG2 3.57Å; G112-V115 PolarHBondContact O-N 3.49Å; G112-V115 VanDerWaalsContact O-N 3.12Å; V115-S120 VanDerWaalsContact O-CB 3.29Å; V115-S120 WeakPolarHBondContact O-CB 3.45Å; V115-S120 PolarHBondContact O-OG 3.13Å; V115-V130 HydrophobicContact CG1-CG1 4.13Å; V115-L196 HydrophobicContact CG1-CD2 3.78Å
116Y98.1Very high96Very high57 Ų5747 Ų4722%0.22428%0.28CS..  trans-68.6129.5-173.6-69.4-32.1000113.9T114 L119 S120 Y218 Q219 W223T114-Y116 VanDerWaalsContact C-N 3.28Å; T114-Y116 HydrophobicContact CG2-CE1 4.4Å; T114-Y116 HydrophobicContact CG2-CE2 4.21Å; T114-Y116 PolarHBondContact O-N 3.49Å; T114-Y116 VanDerWaalsContact OG1-CD2 3.29Å; T114-Y116 WeakPolarHBondContact OG1-CD2 3.13Å; T114-Y116 VanDerWaalsContact OG1-CE2 3.31Å; T114-Y116 WeakPolarHBondContact OG1-CE2 3.32Å; Y116-L119 WeakPolarHBondContact O-CB 3.3Å; Y116-L119 PolarHBondContact O-N 3.02Å; Y116-S120 PolarHBondContact O-N 3.43Å; Y116-S120 PolarHBondContact O-OG 3.29Å; Y116-Y218 AromaticContact CD1-CD1 3.51Å; Y116-Y218 HydrophobicContact CD1-CD1 3.51Å; Y116-Y218 AromaticContact CD1-CE1 3.65Å; Y116-Y218 HydrophobicContact CD1-CE1 3.65Å; Y116-Y218 AromaticContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CE1 4.06Å; Y116-Q219 HydrophobicContact CD1-CG 4.1Å; Y116-Q219 HydrophobicContact CE1-CB 4.36Å; Y116-Q219 HydrophobicContact CE1-CG 3.73Å; Y116-W223 PolarHBondContact OH-NE1 3.2Å
117P96.9Very high96Very high9 Ų941.2 Ų41.26%0.05826%0.259CS..THydrogen-bonded Turntrans-69.9153.9162.129.1-31.6000110.2L119 S120 L196 F207 Y218P117-L119 VanDerWaalsContact C-N 3.35Å; P117-S120 VanDerWaalsContact N-OG 3.11Å; P117-L196 HydrophobicContact CB-CD1 4.09Å; P117-L196 HydrophobicContact CG-CD1 4.41Å; P117-F207 HydrophobicContact CB-CB 3.91Å; P117-F207 HydrophobicContact CG-CB 3.55Å; P117-F207 HydrophobicContact CG-CD2 4.06Å; P117-F207 HydrophobicContact CG-CG 3.83Å; P117-Y218 VanDerWaalsContact CD-CG 3.45Å; P117-Y218 HydrophobicContact CG-CD2 4.02Å; P117-Y218 HydrophobicContact CG-CG 3.91Å
118P96.5Very high96.1Very high78 Ų7837.3 Ų37.351%0.50624%0.244SC..THydrogen-bonded Turncis-81.4-41.933.8-36.2000114.1S120 A121P118-S120 VanDerWaalsContact C-N 3.3Å; P118-S120 PolarHBondContact O-N 3.45Å; P118-A121 VanDerWaalsContact O-CB 3.31Å; P118-A121 WeakPolarHBondContact O-CB 3.46Å; P118-A121 PolarHBondContact O-N 2.87Å
119L97.5Very high96.2Very high88 Ų8837.3 Ų37.346%0.46124%0.244SC..THydrogen-bonded Turntrans-61.4-38.8-179-179.663.3000112.1T111 Y116 P117 A121 A124 H125T111-L119 HydrophobicContact CG2-CG 4.46Å; Y116-L119 WeakPolarHBondContact O-CB 3.3Å; Y116-L119 PolarHBondContact O-N 3.02Å; P117-L119 VanDerWaalsContact C-N 3.35Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A124 HydrophobicContact CD1-CB 4.17Å; L119-A124 VanDerWaalsContact O-CB 3.32Å; L119-A124 WeakPolarHBondContact O-CB 3.4Å; L119-H125 PolarHBondContact O-ND1 3.43Å
120S97.1Very high96.2Very high0 Ų037.1 Ų37.10%024%0.243CC..THydrogen-bonded Turntrans-82.8-2.8175.263.50000114.4V115 Y116 P117 P118 L196 R200V115-S120 VanDerWaalsContact O-CB 3.29Å; V115-S120 WeakPolarHBondContact O-CB 3.45Å; V115-S120 PolarHBondContact O-OG 3.13Å; Y116-S120 PolarHBondContact O-N 3.43Å; Y116-S120 PolarHBondContact O-OG 3.29Å; P117-S120 VanDerWaalsContact N-OG 3.11Å; P118-S120 VanDerWaalsContact C-N 3.3Å; P118-S120 PolarHBondContact O-N 3.45Å; S120-L196 WeakPolarHBondContact OG-CD2 3.34Å; S120-R200 WeakPolarHBondContact O-CD 3.19Å; S120-R200 PolarHBondContact O-NH1 2.89Å
121A96.1Very high96.3Very high17 Ų1737.7 Ų37.714%0.1425%0.245CC..SBendtrans-80.9167177.600000111.7P118 L119 I123 A124 H125P118-A121 VanDerWaalsContact O-CB 3.31Å; P118-A121 WeakPolarHBondContact O-CB 3.46Å; P118-A121 PolarHBondContact O-N 2.87Å; L119-A121 VanDerWaalsContact C-N 3.31Å; A121-I123 PolarHBondContact O-N 2.85Å; A121-I123 VanDerWaalsContact O-N 3.11Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-A124 VanDerWaalsContact O-N 3.15Å; A121-H125 PolarHBondContact O-N 3.2Å
122G92.6Very high96.4Very high35 Ų3538.9 Ų38.936%0.36125%0.251SS..THydrogen-bonded Turntrans-60.5-22.4-177.700000114.5G126G122-G126 VanDerWaalsContact O-CA 3.24Å; G122-G126 WeakPolarHBondContact O-CA 3.44Å; G122-G126 PolarHBondContact O-N 3.38Å
123I91.4Very high96.4Very high143 Ų14338 Ų3873%0.73324%0.241SC*.THydrogen-bonded Turntrans-65.6-37.6177.7-60.1173.7000111.6A121A121-I123 PolarHBondContact O-N 2.85Å; A121-I123 VanDerWaalsContact O-N 3.11Å
124A94.3Very high96.5Very high56 Ų5633.7 Ų33.746%0.46323%0.225SC..THydrogen-bonded Turntrans-105.2-32.7-178.400000113.1L119 A121L119-A124 HydrophobicContact CD1-CB 4.17Å; L119-A124 VanDerWaalsContact O-CB 3.32Å; L119-A124 WeakPolarHBondContact O-CB 3.4Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-A124 VanDerWaalsContact O-N 3.15Å
125H96.3Very high96.6Very high15 Ų1537.5 Ų37.57%0.06924%0.24CC..  trans-126.978.6174.6-78.179.7000110.2Q39 G110 L119 A121 G127 V130 R200Q39-H125 PolarHBondContact NE2-NE2 2.77Å; Q39-H125 VanDerWaalsContact NE2-NE2 3.11Å; G110-H125 PolarHBondContact N-NE2 3.3Å; L119-H125 PolarHBondContact O-ND1 3.43Å; A121-H125 PolarHBondContact O-N 3.2Å; H125-G127 VanDerWaalsContact C-N 3.29Å; H125-G127 PolarHBondContact O-N 2.69Å; H125-V130 HydrophobicContact CB-CG2 3.72Å; H125-R200 PolarHBondContact O-NH1 2.74Å; H125-R200 PolarHBondContact O-NH2 2.91Å
126G91.4Very high96.6Very high65 Ų6537.4 Ų37.467%0.6724%0.239SC*.  trans-72.4-15.1-176.500000115.8G122G122-G126 VanDerWaalsContact O-CA 3.24Å; G122-G126 WeakPolarHBondContact O-CA 3.44Å; G122-G126 PolarHBondContact O-N 3.38Å
127G95Very high96.7Very high21 Ų2135.1 Ų35.122%0.21623%0.231CC..SBendtrans-79.4168.7-179.400000114.3H125 S129 R200H125-G127 VanDerWaalsContact C-N 3.29Å; H125-G127 PolarHBondContact O-N 2.69Å; G127-S129 PolarHBondContact O-N 2.87Å; G127-R200 PolarHBondContact O-NH2 3.19Å
128A97.4Very high96.8Very high46 Ų4636.5 Ų36.538%0.3824%0.237SC..THydrogen-bonded Turntrans-72.3-3.8-179.300000114.7V130 D131 L132A128-V130 PolarHBondContact O-N 3.47Å; A128-D131 WeakPolarHBondContact CA-OD2 3.37Å; A128-D131 PolarHBondContact O-N 2.66Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 2.81Å
129S98.3Very high96.9Very high2 Ų234.9 Ų34.91%0.01422%0.224CC..Hα-helixtrans-58.8-47.1-175.358.80000112.4S102 V105 G108 G127 D131 L132 A133S102-S129 VanDerWaalsContact CB-O 3.32Å; S102-S129 WeakPolarHBondContact CB-O 3.45Å; S102-S129 VanDerWaalsContact O-CB 3.3Å; S102-S129 WeakPolarHBondContact O-CB 3.41Å; S102-S129 PolarHBondContact OG-O 2.89Å; V105-S129 WeakPolarHBondContact O-CB 3.31Å; G108-S129 VanDerWaalsContact C-OG 3.23Å; G108-S129 WeakPolarHBondContact O-CB 3.38Å; G108-S129 PolarHBondContact O-OG 3.47Å; G127-S129 PolarHBondContact O-N 2.87Å; S129-D131 VanDerWaalsContact C-N 3.34Å; S129-D131 PolarHBondContact O-N 2.88Å; S129-L132 PolarHBondContact O-N 2.59Å; S129-A133 PolarHBondContact O-N 3.06Å; S129-A133 VanDerWaalsContact O-N 3.14Å
130V98.6Very high96.9Very high0 Ų030.8 Ų30.80%020%0.202CC..Hα-helixtrans-67.7-35.5178.3177.40000111.1A109 T111 V115 H125 A128 L132 A133 I134A109-V130 HydrophobicContact CB-CG2 4.35Å; T111-V130 HydrophobicContact CG2-CG2 3.91Å; V115-V130 HydrophobicContact CG1-CG1 4.13Å; H125-V130 HydrophobicContact CB-CG2 3.72Å; A128-V130 PolarHBondContact O-N 3.47Å; V130-L132 PolarHBondContact O-N 3.32Å; V130-A133 PolarHBondContact O-N 2.96Å; V130-I134 HydrophobicContact CG1-CD1 4.03Å; V130-I134 HydrophobicContact CG1-CG1 4.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.42Å; V130-I134 PolarHBondContact O-N 2.87Å
131D98.6Very high97Very high14 Ų1431.3 Ų31.38%0.07521%0.208CC..Hα-helixtrans-64.5-42.4178-53.3-52.1000111.2A128 S129 A133 I134 F135 L197 R200 N201A128-D131 WeakPolarHBondContact CA-OD2 3.37Å; A128-D131 PolarHBondContact O-N 2.66Å; S129-D131 VanDerWaalsContact C-N 3.34Å; S129-D131 PolarHBondContact O-N 2.88Å; D131-A133 PolarHBondContact O-N 2.95Å; D131-I134 WeakPolarHBondContact O-CB 3.2Å; D131-I134 PolarHBondContact O-N 3.47Å; D131-F135 HydrophobicContact CB-CE2 4.44Å; D131-F135 WeakPolarHBondContact O-CD2 3.48Å; D131-F135 PolarHBondContact O-N 3.07Å; D131-L197 HydrophobicContact CB-CD1 3.88Å; D131-L197 VanDerWaalsContact OD1-CD1 3.23Å; D131-L197 WeakPolarHBondContact OD1-CD1 3.48Å; D131-R200 IonicContact OD1-CZ 3.48Å; D131-R200 IonicContact OD1-NE 2.74Å; D131-R200 PolarHBondContact OD1-NE 3.18Å; D131-R200 IonicContact OD1-NH2 3.34Å; D131-R200 PolarHBondContact OD1-NH2 3.12Å; D131-R200 IonicContact OD2-CZ 3.86Å; D131-R200 IonicContact OD2-NE 3.86Å; D131-R200 IonicContact OD2-NH2 2.97Å; D131-R200 PolarHBondContact OD2-NH2 3.02Å; D131-N201 PolarHBondContact OD1-ND2 2.97Å
132L98.8Very high97.1Very high36 Ų3634.2 Ų34.219%0.18822%0.22CC..Hα-helixtrans-63.6-38.6174.6-68.4173.1000112.5L98 V101 V105 A128 S129 V130 F135 S136L98-L132 HydrophobicContact CD2-CD2 3.82Å; V101-L132 HydrophobicContact CG1-CD1 3.86Å; V105-L132 HydrophobicContact CB-CD1 4.33Å; V105-L132 HydrophobicContact CG1-CD1 4.49Å; V105-L132 HydrophobicContact CG2-CD1 4.34Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 2.81Å; S129-L132 PolarHBondContact O-N 2.59Å; V130-L132 PolarHBondContact O-N 3.32Å; L132-F135 PolarHBondContact O-N 3.23Å; L132-S136 WeakPolarHBondContact O-CB 3.29Å; L132-S136 PolarHBondContact O-N 2.95Å
133A98.6Very high97.4Very high3 Ų332.7 Ų32.73%0.02520%0.204CC..Hα-helixtrans-63.7-43172.900000111.3S102 A109 S129 V130 D131 F135 S136 L137S102-A133 WeakPolarHBondContact OG-CB 3.37Å; A109-A133 HydrophobicContact CB-CB 4.07Å; S129-A133 PolarHBondContact O-N 3.06Å; S129-A133 VanDerWaalsContact O-N 3.14Å; V130-A133 PolarHBondContact O-N 2.96Å; D131-A133 PolarHBondContact O-N 2.95Å; A133-F135 PolarHBondContact O-N 3.16Å; A133-S136 WeakPolarHBondContact O-CB 3.41Å; A133-S136 PolarHBondContact O-N 3.41Å; A133-L137 WeakPolarHBondContact O-CG 3.48Å; A133-L137 PolarHBondContact O-N 2.85Å
134I98.8Very high97.7Very high2 Ų226.9 Ų26.91%0.0118%0.176CC..Hα-helixtrans-60.2-46.4175.2-70.7168.6000110.5V130 D131 S136 L137 H138 I193 L196 L197V130-I134 HydrophobicContact CG1-CD1 4.03Å; V130-I134 HydrophobicContact CG1-CG1 4.44Å; V130-I134 WeakPolarHBondContact O-CG1 3.42Å; V130-I134 PolarHBondContact O-N 2.87Å; D131-I134 WeakPolarHBondContact O-CB 3.2Å; D131-I134 PolarHBondContact O-N 3.47Å; I134-S136 VanDerWaalsContact C-N 3.33Å; I134-S136 PolarHBondContact O-N 3.21Å; I134-L137 PolarHBondContact O-N 3.17Å; I134-H138 WeakPolarHBondContact CG2-CE1 3.37Å; I134-H138 WeakPolarHBondContact CG2-ND1 3.34Å; I134-H138 PolarHBondContact O-N 3.31Å; I134-H138 PolarHBondContact O-ND1 3.01Å; I134-I193 HydrophobicContact CG1-CB 4.35Å; I134-I193 HydrophobicContact CG2-CB 4.09Å; I134-I193 HydrophobicContact CG2-CD1 4.27Å; I134-I193 HydrophobicContact CG2-CG1 4.21Å; I134-L196 HydrophobicContact CD1-CD2 4.05Å; I134-L196 HydrophobicContact CD1-CG 4.2Å; I134-L197 HydrophobicContact CD1-CB 4.26Å; I134-L197 HydrophobicContact CD1-CD1 4.22Å; I134-L197 HydrophobicContact CG2-CB 4.28Å; I134-L197 HydrophobicContact CG2-CD1 4.36Å; I134-L197 HydrophobicContact CG2-CD2 4.41Å
135F98.8Very high98Very high98 Ų9826.4 Ų26.443%0.4317%0.165SC..Hα-helixtrans-64.1-37177-70.8-55000112.8L98 D131 L132 A133 H138 L139 L197L98-F135 HydrophobicContact CD1-CB 3.96Å; D131-F135 HydrophobicContact CB-CE2 4.44Å; D131-F135 WeakPolarHBondContact O-CD2 3.48Å; D131-F135 PolarHBondContact O-N 3.07Å; L132-F135 PolarHBondContact O-N 3.23Å; A133-F135 PolarHBondContact O-N 3.16Å; F135-H138 PolarHBondContact O-N 2.96Å; F135-L139 WeakPolarHBondContact O-CG 3.41Å; F135-L139 PolarHBondContact O-N 3.08Å; F135-L197 HydrophobicContact CE1-CD2 3.86Å; F135-L197 HydrophobicContact CZ-CD1 4.49Å; F135-L197 HydrophobicContact CZ-CD2 3.84Å
136S98.8Very high98.1Very high0 Ų027.3 Ų27.30%017%0.17CC..Hα-helixtrans-57-50172.4178.60000111.8F55 A95 L99 L132 A133 I134 H138 L139 A140F55-S136 WeakPolarHBondContact CZ-OG 3.45Å; A95-S136 VanDerWaalsContact O-CB 3.26Å; A95-S136 WeakPolarHBondContact O-CB 3.24Å; A95-S136 PolarHBondContact O-OG 3.45Å; L99-S136 WeakPolarHBondContact CB-OG 3.4Å; L132-S136 WeakPolarHBondContact O-CB 3.29Å; L132-S136 PolarHBondContact O-N 2.95Å; A133-S136 WeakPolarHBondContact O-CB 3.41Å; A133-S136 PolarHBondContact O-N 3.41Å; I134-S136 VanDerWaalsContact C-N 3.33Å; I134-S136 PolarHBondContact O-N 3.21Å; S136-H138 VanDerWaalsContact C-N 3.34Å; S136-H138 PolarHBondContact O-N 3.31Å; S136-L139 PolarHBondContact O-N 3.1Å; S136-A140 PolarHBondContact O-N 3.17Å
137L98.5Very high98.4Very high10 Ų1024.4 Ų24.45%0.05214%0.141CC..Hα-helixtrans-64.9-36.1179.3-66.8177.6000112.4F50 F54 A133 I134 A140 G141 I193F50-L137 HydrophobicContact CD1-CD1 4.45Å; F50-L137 HydrophobicContact CD1-CD2 3.8Å; F50-L137 HydrophobicContact CE1-CD1 3.79Å; F50-L137 HydrophobicContact CE1-CD2 3.95Å; F50-L137 HydrophobicContact CE1-CG 4.42Å; F50-L137 HydrophobicContact CE2-CD1 4.49Å; F50-L137 HydrophobicContact CG-CD2 4.32Å; F50-L137 HydrophobicContact CZ-CD1 3.8Å; F54-L137 HydrophobicContact CD1-CD2 4.35Å; F54-L137 HydrophobicContact CD2-CD2 3.89Å; F54-L137 HydrophobicContact CE1-CD2 4.43Å; F54-L137 HydrophobicContact CE2-CD2 3.95Å; F54-L137 HydrophobicContact CG-CD2 4.12Å; F54-L137 HydrophobicContact CZ-CD2 4.23Å; A133-L137 WeakPolarHBondContact O-CG 3.48Å; A133-L137 PolarHBondContact O-N 2.85Å; I134-L137 PolarHBondContact O-N 3.17Å; L137-A140 PolarHBondContact O-N 2.79Å; L137-G141 PolarHBondContact O-N 3.37Å; L137-I193 HydrophobicContact CB-CD1 3.87Å
138H98.9Very high98.6Very high37 Ų3723.5 Ų23.517%0.17113%0.131CC..Hα-helixtrans-60.1-49.2172.5-79.896.9000112.1I134 F135 S136 A140 G141 I142 I193 T194I134-H138 WeakPolarHBondContact CG2-CE1 3.37Å; I134-H138 WeakPolarHBondContact CG2-ND1 3.34Å; I134-H138 PolarHBondContact O-N 3.31Å; I134-H138 PolarHBondContact O-ND1 3.01Å; F135-H138 PolarHBondContact O-N 2.96Å; S136-H138 VanDerWaalsContact C-N 3.34Å; S136-H138 PolarHBondContact O-N 3.31Å; H138-A140 PolarHBondContact O-N 3.1Å; H138-G141 PolarHBondContact O-N 2.9Å; H138-I142 VanDerWaalsContact O-CG1 3.27Å; H138-I142 WeakPolarHBondContact O-CG1 3.16Å; H138-I142 PolarHBondContact O-N 2.99Å; H138-I193 VanDerWaalsContact CE1-CG1 3.43Å; H138-I193 WeakPolarHBondContact CE1-CG1 3.23Å; H138-T194 PolarHBondContact NE2-OG1 2.83Å
139L98.8Very high98.6Very high45 Ų4523.6 Ų23.624%0.23613%0.127CC..Hα-helixtrans-64.6-41.2-179.8-68.1-172.6000111.9L91 P94 A95 L98 F135 S136 G141 I142 S143L91-L139 HydrophobicContact CD2-CD2 4.27Å; P94-L139 HydrophobicContact CB-CD1 4.29Å; P94-L139 HydrophobicContact CG-CD1 4.39Å; A95-L139 HydrophobicContact CB-CB 3.62Å; A95-L139 HydrophobicContact CB-CD1 4.41Å; L98-L139 HydrophobicContact CD1-CD1 3.69Å; L98-L139 HydrophobicContact CD1-CG 4.49Å; F135-L139 WeakPolarHBondContact O-CG 3.41Å; F135-L139 PolarHBondContact O-N 3.08Å; S136-L139 PolarHBondContact O-N 3.1Å; L139-G141 VanDerWaalsContact C-N 3.34Å; L139-I142 PolarHBondContact O-N 3.46Å; L139-S143 WeakPolarHBondContact O-CB 3.22Å; L139-S143 PolarHBondContact O-N 3.13Å
140A98.7Very high98.7Very high1 Ų123.5 Ų23.51%0.00813%0.126CC..Hα-helixtrans-64.6-37.7174.400000112.3F54 F55 L92 A95 S136 L137 H138 S143 S144F54-A140 HydrophobicContact CB-CB 4.47Å; F55-A140 HydrophobicContact CE1-CB 4.36Å; F55-A140 HydrophobicContact CZ-CB 4.11Å; L92-A140 HydrophobicContact CD2-CB 4.37Å; A95-A140 HydrophobicContact CB-CB 4.42Å; S136-A140 PolarHBondContact O-N 3.17Å; L137-A140 PolarHBondContact O-N 2.79Å; H138-A140 PolarHBondContact O-N 3.1Å; A140-S143 WeakPolarHBondContact O-CB 3.13Å; A140-S143 PolarHBondContact O-N 3.18Å; A140-S144 PolarHBondContact O-N 3.39Å; A140-S144 PolarHBondContact O-OG 3.5Å
141G98.4Very high98.7Very high12 Ų1223.5 Ų23.512%0.12413%0.126CC..Hα-helixtrans-64.2-46.6174.300000112.3L137 H138 L139 S143 S144 I145L137-G141 PolarHBondContact O-N 3.37Å; H138-G141 PolarHBondContact O-N 2.9Å; L139-G141 VanDerWaalsContact C-N 3.34Å; G141-S143 VanDerWaalsContact C-N 3.34Å; G141-S143 PolarHBondContact O-N 3.32Å; G141-S144 PolarHBondContact O-N 3.05Å; G141-S144 VanDerWaalsContact O-N 3.16Å; G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 2.72Å
142I98.8Very high98.7Very high77 Ų7724 Ų2440%0.39513%0.129SC..Hα-helixtrans-60.9-45.2175.8-65163000110.3L91 H138 L139 S144 I145 L146L91-I142 HydrophobicContact CD1-CB 4.13Å; L91-I142 HydrophobicContact CD1-CG2 3.57Å; H138-I142 VanDerWaalsContact O-CG1 3.27Å; H138-I142 WeakPolarHBondContact O-CG1 3.16Å; H138-I142 PolarHBondContact O-N 2.99Å; L139-I142 PolarHBondContact O-N 3.46Å; I142-S144 VanDerWaalsContact C-N 3.27Å; I142-S144 PolarHBondContact O-N 3.43Å; I142-I145 PolarHBondContact O-N 3Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.18Å; I142-L146 WeakPolarHBondContact O-CB 3.48Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.32Å; I142-L146 PolarHBondContact O-N 3.16Å
143S98.8Very high98.7Very high3 Ų323.9 Ų23.92%0.02113%0.13CC..Hα-helixtrans-51.4-48.2174.1170.80000111.4S88 L139 A140 G141 G147S88-S143 WeakPolarHBondContact CB-O 3.34Å; S88-S143 WeakPolarHBondContact O-CB 3.25Å; S88-S143 PolarHBondContact O-OG 3.16Å; S88-S143 PolarHBondContact OG-O 3.22Å; L139-S143 WeakPolarHBondContact O-CB 3.22Å; L139-S143 PolarHBondContact O-N 3.13Å; A140-S143 WeakPolarHBondContact O-CB 3.13Å; A140-S143 PolarHBondContact O-N 3.18Å; G141-S143 VanDerWaalsContact C-N 3.34Å; G141-S143 PolarHBondContact O-N 3.32Å; S143-G147 PolarHBondContact O-N 3.39Å
144S98.4Very high98.6Very high22 Ų2223.8 Ų23.815%0.15413%0.128CC..Hα-helixtrans-69.4-39.8-179-60.10000113.4A140 G141 I142 G147 A148 L186A140-S144 PolarHBondContact O-N 3.39Å; A140-S144 PolarHBondContact O-OG 3.5Å; G141-S144 PolarHBondContact O-N 3.05Å; G141-S144 VanDerWaalsContact O-N 3.16Å; I142-S144 VanDerWaalsContact C-N 3.27Å; I142-S144 PolarHBondContact O-N 3.43Å; S144-G147 PolarHBondContact O-N 2.93Å; S144-A148 WeakPolarHBondContact O-CB 3.28Å; S144-A148 PolarHBondContact O-N 3.3Å; S144-L186 VanDerWaalsContact CB-CD1 3.45Å
145I98.6Very high98.6Very high46 Ų4623.8 Ų23.824%0.23613%0.129CC..Hα-helixtrans-64.6-45.8176.7-69168.8000110.8G141 I142 G147 A148 V149 L183 L186 P187G141-I145 WeakPolarHBondContact O-CG1 3.33Å; G141-I145 PolarHBondContact O-N 2.72Å; I142-I145 PolarHBondContact O-N 3Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 3.33Å; I145-A148 WeakPolarHBondContact O-CB 3.32Å; I145-A148 PolarHBondContact O-N 3.46Å; I145-V149 WeakPolarHBondContact O-CG2 3.26Å; I145-V149 PolarHBondContact O-N 3.15Å; I145-L183 HydrophobicContact CG2-CD1 4Å; I145-L186 HydrophobicContact CD1-CB 3.91Å; I145-L186 HydrophobicContact CG1-CB 3.92Å; I145-L186 HydrophobicContact CG1-CD1 3.83Å; I145-P187 HydrophobicContact CD1-CG 4.46Å
146L98.7Very high98.6Very high33 Ų3323.4 Ų23.417%0.17313%0.13CC..Hα-helixtrans-60.5-42.6176.7-68.6-179.6000111.2M84 M87 L91 I142 N150M84-L146 HydrophobicContact CG-CB 3.95Å; M84-L146 HydrophobicContact CG-CD2 3.91Å; M84-L146 HydrophobicContact CG-CG 4.33Å; M84-L146 HydrophobicContact SD-CB 4.37Å; M84-L146 HydrophobicContact SD-CD2 4Å; M87-L146 HydrophobicContact CE-CD1 4.3Å; M87-L146 HydrophobicContact CG-CD1 4.1Å; M87-L146 HydrophobicContact SD-CD1 4.05Å; L91-L146 HydrophobicContact CD1-CD1 4.06Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.18Å; I142-L146 WeakPolarHBondContact O-CB 3.48Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.32Å; I142-L146 PolarHBondContact O-N 3.16Å; L146-N150 WeakPolarHBondContact O-CB 3.43Å; L146-N150 PolarHBondContact O-N 3.33Å; L146-N150 VanDerWaalsContact O-N 3.15Å
147G98.4Very high98.5Very high5 Ų528.9 Ų28.95%0.05216%0.16CC..Hα-helixtrans-60.3-47.1173.300000112.1S143 S144 I145 N150 F151S143-G147 PolarHBondContact O-N 3.39Å; S144-G147 PolarHBondContact O-N 2.93Å; I145-G147 VanDerWaalsContact C-N 3.31Å; I145-G147 PolarHBondContact O-N 3.33Å; G147-N150 WeakPolarHBondContact O-CB 3.33Å; G147-N150 PolarHBondContact O-N 3.39Å; G147-F151 WeakPolarHBondContact O-CD2 3.31Å; G147-F151 PolarHBondContact O-N 2.91Å
148A98.6Very high98.5Very high1 Ų130.9 Ų30.91%0.00817%0.169CC..Hα-helixtrans-59.8-48.5-179.900000112.8S144 I145 N150 F151 I152 A179 L182 L183S144-A148 WeakPolarHBondContact O-CB 3.28Å; S144-A148 PolarHBondContact O-N 3.3Å; I145-A148 WeakPolarHBondContact O-CB 3.32Å; I145-A148 PolarHBondContact O-N 3.46Å; A148-N150 VanDerWaalsContact C-N 3.27Å; A148-N150 PolarHBondContact O-N 3.4Å; A148-F151 PolarHBondContact O-N 3.44Å; A148-I152 WeakPolarHBondContact O-CD1 3.26Å; A148-I152 VanDerWaalsContact O-CG1 3.28Å; A148-I152 WeakPolarHBondContact O-CG1 3.43Å; A148-I152 PolarHBondContact O-N 3.39Å; A148-A179 HydrophobicContact CB-CB 3.96Å; A148-A179 WeakPolarHBondContact CB-O 3.46Å; A148-L182 HydrophobicContact CB-CB 4.27Å; A148-L183 HydrophobicContact CB-CB 4.46Å
149V98.8Very high98.4Very high48 Ų4832.5 Ų32.529%0.29117%0.174SC..Hα-helixtrans-58.4-42.3176.11720000110.9F81 M84 I145 T153 L183F81-V149 HydrophobicContact CE2-CG1 4.24Å; M84-V149 HydrophobicContact SD-CG1 4.48Å; I145-V149 WeakPolarHBondContact O-CG2 3.26Å; I145-V149 PolarHBondContact O-N 3.15Å; V149-T153 WeakPolarHBondContact O-CB 3.32Å; V149-T153 PolarHBondContact O-N 3.35Å; V149-T153 PolarHBondContact O-OG1 3.01Å; V149-L183 HydrophobicContact CG2-CD1 3.84Å
150N98.6Very high98.3Very high0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-66.7-43.8178.2-170.924.4000112.4M79 A80 F81 N85 L146 G147 A148 T153 T154M79-N150 HydrophobicContact CE-CB 4.41Å; M79-N150 WeakPolarHBondContact CE-ND2 3.22Å; A80-N150 PolarHBondContact N-OD1 3.28Å; F81-N150 HydrophobicContact CD2-CB 4.28Å; F81-N150 PolarHBondContact N-OD1 3.21Å; N85-N150 WeakPolarHBondContact CB-ND2 3.37Å; L146-N150 WeakPolarHBondContact O-CB 3.43Å; L146-N150 PolarHBondContact O-N 3.33Å; L146-N150 VanDerWaalsContact O-N 3.15Å; G147-N150 WeakPolarHBondContact O-CB 3.33Å; G147-N150 PolarHBondContact O-N 3.39Å; A148-N150 VanDerWaalsContact C-N 3.27Å; A148-N150 PolarHBondContact O-N 3.4Å; N150-T153 PolarHBondContact O-N 2.97Å; N150-T154 VanDerWaalsContact O-CB 3.29Å; N150-T154 WeakPolarHBondContact O-CB 3.27Å; N150-T154 PolarHBondContact O-N 2.6Å; N150-T154 PolarHBondContact O-OG1 2.97Å; N150-T154 PolarHBondContact OD1-OG1 3.24Å
151F98.7Very high98Very high1 Ų139.9 Ų39.90%0.00422%0.223CC..Hα-helixtrans-61.3-49.9175.6-78-58.8000112I62 V70 M79 G147 A148 T153 T154 V155 V175 A179I62-F151 HydrophobicContact CG2-CD2 4.23Å; I62-F151 HydrophobicContact CG2-CE2 3.76Å; I62-F151 VanDerWaalsContact O-CZ 3.25Å; I62-F151 WeakPolarHBondContact O-CZ 3.38Å; V70-F151 HydrophobicContact CB-CD1 4.48Å; V70-F151 HydrophobicContact CB-CE1 4.4Å; V70-F151 HydrophobicContact CG1-CD1 4.47Å; V70-F151 HydrophobicContact CG2-CD1 4.35Å; V70-F151 HydrophobicContact CG2-CE1 4.27Å; M79-F151 HydrophobicContact CE-CD1 3.44Å; M79-F151 VanDerWaalsContact CE-CD1 3.44Å; M79-F151 HydrophobicContact CE-CE1 3.51Å; M79-F151 HydrophobicContact CE-CG 4.12Å; M79-F151 HydrophobicContact CE-CZ 4.28Å; M79-F151 HydrophobicContact SD-CD1 4.46Å; M79-F151 HydrophobicContact SD-CE1 4.22Å; G147-F151 WeakPolarHBondContact O-CD2 3.31Å; G147-F151 PolarHBondContact O-N 2.91Å; A148-F151 PolarHBondContact O-N 3.44Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.28Å; F151-T154 PolarHBondContact O-N 2.98Å; F151-V155 WeakPolarHBondContact O-CB 3.5Å; F151-V155 VanDerWaalsContact O-CG2 3.25Å; F151-V155 WeakPolarHBondContact O-CG2 3.5Å; F151-V155 PolarHBondContact O-N 2.81Å; F151-V175 HydrophobicContact CB-CG1 4.29Å; F151-V175 HydrophobicContact CD1-CG1 3.79Å; F151-V175 HydrophobicContact CD2-CG1 4.22Å; F151-V175 HydrophobicContact CE1-CG1 4.22Å; F151-V175 HydrophobicContact CG-CG1 3.84Å; F151-A179 HydrophobicContact CB-CB 4.1Å
152I98.7Very high97.8Very high25 Ų2542 Ų4213%0.12825%0.245CC..Hα-helixtrans-56.4-48.7178.6-68.6162.6000109.8A148 V155 I156 A179 L180 L183A148-I152 WeakPolarHBondContact O-CD1 3.26Å; A148-I152 VanDerWaalsContact O-CG1 3.28Å; A148-I152 WeakPolarHBondContact O-CG1 3.43Å; A148-I152 PolarHBondContact O-N 3.39Å; I152-V155 PolarHBondContact O-N 3.49Å; I152-I156 HydrophobicContact CG2-CD1 3.62Å; I152-I156 HydrophobicContact CG2-CG1 4.47Å; I152-I156 WeakPolarHBondContact O-CB 3.33Å; I152-I156 VanDerWaalsContact O-CG1 3.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.19Å; I152-I156 PolarHBondContact O-N 3.49Å; I152-A179 HydrophobicContact CD1-CB 4.19Å; I152-A179 HydrophobicContact CG1-CB 3.87Å; I152-L180 HydrophobicContact CD1-CD2 3.8Å; I152-L180 HydrophobicContact CD1-CG 4.2Å; I152-L180 HydrophobicContact CG1-CD2 4.32Å; I152-L180 HydrophobicContact CG1-CG 4.42Å; I152-L183 HydrophobicContact CD1-CD2 3.94Å
153T98.6Very high97.6Very high33 Ų3340.2 Ų40.220%0.20224%0.236CC..Hα-helixtrans-65.7-43.1-178.2-53.70000112.1A80 F81 V149 N150 F151 I156 N157A80-T153 HydrophobicContact CB-CG2 3.72Å; F81-T153 HydrophobicContact CE2-CG2 3.71Å; F81-T153 WeakPolarHBondContact CE2-OG1 3.47Å; F81-T153 HydrophobicContact CZ-CG2 3.67Å; V149-T153 WeakPolarHBondContact O-CB 3.32Å; V149-T153 PolarHBondContact O-N 3.35Å; V149-T153 PolarHBondContact O-OG1 3.01Å; N150-T153 PolarHBondContact O-N 2.97Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.28Å; T153-I156 PolarHBondContact O-N 3.06Å; T153-N157 WeakPolarHBondContact O-CB 3.25Å; T153-N157 PolarHBondContact O-N 2.94Å; T153-N157 PolarHBondContact O-ND2 3.05Å; T153-N157 VanDerWaalsContact O-ND2 3.1Å
154T98.4Very high97.5Very high0 Ų042.3 Ų42.30%025%0.25CC..Hα-helixtrans-60.6-49.9177.6-57.20000110.3M79 A80 N150 F151 I156 N157 M158M79-T154 HydrophobicContact CE-CG2 4.45Å; M79-T154 HydrophobicContact SD-CG2 4.04Å; A80-T154 WeakPolarHBondContact CB-OG1 3.36Å; A80-T154 PolarHBondContact N-OG1 2.87Å; N150-T154 VanDerWaalsContact O-CB 3.29Å; N150-T154 WeakPolarHBondContact O-CB 3.27Å; N150-T154 PolarHBondContact O-N 2.6Å; N150-T154 PolarHBondContact O-OG1 2.97Å; N150-T154 PolarHBondContact OD1-OG1 3.24Å; F151-T154 PolarHBondContact O-N 2.98Å; T154-I156 VanDerWaalsContact C-N 3.34Å; T154-I156 PolarHBondContact O-N 3.41Å; T154-N157 PolarHBondContact O-N 3.26Å; T154-M158 HydrophobicContact CG2-CB 4.32Å; T154-M158 HydrophobicContact CG2-SD 4.12Å; T154-M158 VanDerWaalsContact O-CB 3.31Å; T154-M158 WeakPolarHBondContact O-CB 3.3Å; T154-M158 PolarHBondContact O-N 3.43Å
155V98.2Very high97.3Very high3 Ų345.2 Ų45.22%0.01826%0.264CS..Hα-helixtrans-67.7-36.5-177.3179.80000111.3V70 L74 F151 I152 R159 M168 V172 V176V70-V155 HydrophobicContact CG1-CG2 3.67Å; L74-V155 HydrophobicContact CD1-CB 4.2Å; L74-V155 HydrophobicContact CD1-CG1 4.31Å; L74-V155 HydrophobicContact CD1-CG2 3.93Å; F151-V155 WeakPolarHBondContact O-CB 3.5Å; F151-V155 VanDerWaalsContact O-CG2 3.25Å; F151-V155 WeakPolarHBondContact O-CG2 3.5Å; F151-V155 PolarHBondContact O-N 2.81Å; I152-V155 PolarHBondContact O-N 3.49Å; V155-R159 WeakPolarHBondContact O-CD 3.29Å; V155-R159 WeakPolarHBondContact O-CG 3.31Å; V155-R159 PolarHBondContact O-NH1 3.22Å; V155-M168 HydrophobicContact CG1-CE 4.11Å; V155-M168 HydrophobicContact CG1-SD 3.42Å; V155-M168 WeakPolarHBondContact CG1-SD 3.32Å; V155-V172 HydrophobicContact CB-CG1 4.47Å; V155-V172 HydrophobicContact CG1-CG1 3.78Å; V155-V172 HydrophobicContact CG2-CG1 3.8Å; V155-V176 HydrophobicContact CB-CG2 3.54Å; V155-V176 HydrophobicContact CG1-CG2 3.43Å; V155-V176 VanDerWaalsContact CG1-CG2 3.43Å; V155-V176 HydrophobicContact CG2-CG2 3.52Å
156I97.6Very high97.2Very high89 Ų8949 Ų4946%0.45628%0.284SS..Hα-helixtrans-70.3-42.8179.2-69.8173.5000111.9I152 T153 T154 R159I152-I156 HydrophobicContact CG2-CD1 3.62Å; I152-I156 HydrophobicContact CG2-CG1 4.47Å; I152-I156 WeakPolarHBondContact O-CB 3.33Å; I152-I156 VanDerWaalsContact O-CG1 3.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.19Å; I152-I156 PolarHBondContact O-N 3.49Å; T153-I156 PolarHBondContact O-N 3.06Å; T154-I156 VanDerWaalsContact C-N 3.34Å; T154-I156 PolarHBondContact O-N 3.41Å; I156-R159 VanDerWaalsContact CA-NH1 3.28Å; I156-R159 PolarHBondContact O-NH1 3.14Å; I156-R159 PolarHBondContact O-NH2 3.49Å
157N97.8Very high97.1Very high116 Ų11656 Ų5662%0.6231%0.308SS*.Hα-helixtrans-109.5-17.8-163.6-63.2-62.4000115.5T153 T154T153-N157 WeakPolarHBondContact O-CB 3.25Å; T153-N157 PolarHBondContact O-N 2.94Å; T153-N157 PolarHBondContact O-ND2 3.05Å; T153-N157 VanDerWaalsContact O-ND2 3.1Å; T154-N157 PolarHBondContact O-N 3.26Å
158M97.8Very high97Very high52 Ų5256.2 Ų56.226%0.25631%0.308SS..  trans-11214.9-170-56.8-172.770.400114.2A76 P77 D78 A80 T154A76-M158 HydrophobicContact CB-CB 3.94Å; A76-M158 HydrophobicContact CB-CE 4.46Å; A76-M158 WeakPolarHBondContact CB-O 3.47Å; P77-M158 HydrophobicContact CG-CE 4.32Å; D78-M158 WeakPolarHBondContact O-CE 3.46Å; A80-M158 WeakPolarHBondContact CA-SD 3.49Å; A80-M158 HydrophobicContact CB-SD 3.67Å; A80-M158 PolarHBondContact N-SD 3.07Å; T154-M158 HydrophobicContact CG2-CB 4.32Å; T154-M158 HydrophobicContact CG2-SD 4.12Å; T154-M158 VanDerWaalsContact O-CB 3.31Å; T154-M158 WeakPolarHBondContact O-CB 3.3Å; T154-M158 PolarHBondContact O-N 3.43Å
159R97.1Very high97Very high70 Ų7058.5 Ų58.526%0.26432%0.323SS..PPolyproline II helixtrans-66.6137.2175.3-54.6-171-65-80.9-12.6110.4L74 V155 I156 I163 L165 M168L74-R159 HydrophobicContact CD1-CG 4.3Å; L74-R159 HydrophobicContact CD2-CG 3.86Å; V155-R159 WeakPolarHBondContact O-CD 3.29Å; V155-R159 WeakPolarHBondContact O-CG 3.31Å; V155-R159 PolarHBondContact O-NH1 3.22Å; I156-R159 VanDerWaalsContact CA-NH1 3.28Å; I156-R159 PolarHBondContact O-NH1 3.14Å; I156-R159 PolarHBondContact O-NH2 3.49Å; R159-I163 HydrophobicContact CB-CB 4.35Å; R159-I163 PolarHBondContact NE-O 2.81Å; R159-L165 VanDerWaalsContact NH1-CD2 3.33Å; R159-M168 VanDerWaalsContact CD-SD 3.58Å
160S95.9Very high97Very high45 Ų4563.4 Ų63.432%0.31535%0.347SS..PPolyproline II helixtrans-62.5155.1170.8550000112.1L74 G162 I163L74-S160 WeakPolarHBondContact O-CB 3.33Å; L74-S160 PolarHBondContact O-N 3.41Å; L74-S160 PolarHBondContact O-OG 3.28Å; S160-G162 PolarHBondContact O-N 3.41Å; S160-I163 PolarHBondContact O-N 3.12Å; S160-I163 VanDerWaalsContact O-N 3.15Å; S160-I163 WeakPolarHBondContact OG-CD1 3.45Å; S160-I163 WeakPolarHBondContact OG-CG1 3.38Å
161T94.1Very high97Very high156 Ų15665.9 Ų65.996%0.95736%0.358SS*.THydrogen-bonded Turntrans-58.6129.3177.9-48.90000110.4
162G92.4Very high97Very high57 Ų5765.8 Ų65.859%0.58836%0.357SS*.THydrogen-bonded Turntrans97.7-13.1-177.800000114.7S160 S164S160-G162 PolarHBondContact O-N 3.41Å; G162-S164 PolarHBondContact O-N 2.92Å
163I96.5Very high96.9Very high40 Ų4068.9 Ų68.921%0.20537%0.367CS..  trans-91.587.4169.4-53.2-175.2000109.5L74 R159 S160 M168L74-I163 HydrophobicContact CD2-CG2 4.48Å; R159-I163 HydrophobicContact CB-CB 4.35Å; R159-I163 PolarHBondContact NE-O 2.81Å; S160-I163 PolarHBondContact O-N 3.12Å; S160-I163 VanDerWaalsContact O-N 3.15Å; S160-I163 WeakPolarHBondContact OG-CD1 3.45Å; S160-I163 WeakPolarHBondContact OG-CG1 3.38Å; I163-M168 HydrophobicContact CG2-CG 3.96Å
164S95.4Very high96.9Very high46 Ų4669.9 Ų69.932%0.32238%0.376SS..  trans-72.8164165.555.40000110.9G162 D166 R167 M168G162-S164 PolarHBondContact O-N 2.92Å; S164-D166 VanDerWaalsContact C-N 3.31Å; S164-D166 WeakPolarHBondContact CB-OD1 3.29Å; S164-D166 PolarHBondContact O-N 3.48Å; S164-D166 PolarHBondContact OG-OD1 3.27Å; S164-R167 PolarHBondContact O-N 2.89Å; S164-R167 WeakPolarHBondContact OG-CD 3.37Å; S164-R167 WeakPolarHBondContact OG-CG 3.41Å; S164-M168 PolarHBondContact O-N 3.41Å
165L95.3Very high96.9Very high84 Ų8470 Ų7044%0.4438%0.377SS..G310 helixtrans-58.3-42-176-73172.4000112.5R159 R167 M168 W173R159-L165 VanDerWaalsContact NH1-CD2 3.33Å; L165-R167 PolarHBondContact O-N 3.24Å; L165-M168 HydrophobicContact CB-CE 4.35Å; L165-M168 HydrophobicContact CD2-CE 3.48Å; L165-M168 VanDerWaalsContact CD2-CE 3.48Å; L165-M168 HydrophobicContact CD2-SD 3.92Å; L165-M168 PolarHBondContact O-N 3Å; L165-W173 HydrophobicContact CB-CZ2 4.19Å; L165-W173 WeakPolarHBondContact O-CZ2 3.13Å; L165-W173 PolarHBondContact O-NE1 2.7Å
166D95.8Very high96.9Very high126 Ų12670.6 Ų70.667%0.67438%0.38SS*.G310 helixtrans-64.5-17.3176.861.3-51.7000113.7S164S164-D166 VanDerWaalsContact C-N 3.31Å; S164-D166 WeakPolarHBondContact CB-OD1 3.29Å; S164-D166 PolarHBondContact O-N 3.48Å; S164-D166 PolarHBondContact OG-OD1 3.27Å
167R96Very high97Very high178 Ų17870.7 Ų70.767%0.67238%0.381SS*.G310 helixtrans-1042.9-179.9-63.3-178.3-178.5-167.7-2.5113.7S164 L165S164-R167 PolarHBondContact O-N 2.89Å; S164-R167 WeakPolarHBondContact OG-CD 3.37Å; S164-R167 WeakPolarHBondContact OG-CG 3.41Å; L165-R167 PolarHBondContact O-N 3.24Å
168M97.5Very high97Very high10 Ų1067.6 Ų67.65%0.04937%0.366CS..SBendtrans-67.1142177.1-66.5-171.1-58.200111.2L74 V155 R159 I163 S164 L165 V172 W173L74-M168 HydrophobicContact CD2-CG 4.41Å; L74-M168 HydrophobicContact CD2-SD 4.37Å; V155-M168 HydrophobicContact CG1-CE 4.11Å; V155-M168 HydrophobicContact CG1-SD 3.42Å; V155-M168 WeakPolarHBondContact CG1-SD 3.32Å; R159-M168 VanDerWaalsContact CD-SD 3.58Å; I163-M168 HydrophobicContact CG2-CG 3.96Å; S164-M168 PolarHBondContact O-N 3.41Å; L165-M168 HydrophobicContact CB-CE 4.35Å; L165-M168 HydrophobicContact CD2-CE 3.48Å; L165-M168 VanDerWaalsContact CD2-CE 3.48Å; L165-M168 HydrophobicContact CD2-SD 3.92Å; L165-M168 PolarHBondContact O-N 3Å; M168-V172 HydrophobicContact SD-CG1 4.23Å; M168-W173 HydrophobicContact CE-CD2 3.77Å; M168-W173 HydrophobicContact CE-CE3 4.18Å; M168-W173 HydrophobicContact CE-CG 4.35Å; M168-W173 HydrophobicContact CE-CH2 3.94Å; M168-W173 HydrophobicContact CE-CZ2 3.5Å; M168-W173 VanDerWaalsContact CE-CZ2 3.5Å; M168-W173 HydrophobicContact CE-CZ3 4.25Å
169P97.9Very high97Very high49 Ų4965.1 Ų65.132%0.31835%0.354SS..  trans-56.3145.2173.7-2737.2000112.2M73 F171 V172 W173M73-P169 HydrophobicContact CB-CG 4.22Å; M73-P169 HydrophobicContact SD-CB 4.25Å; P169-F171 PolarHBondContact O-N 3.31Å; P169-V172 HydrophobicContact CB-CG2 4.31Å; P169-V172 HydrophobicContact CG-CG2 4.45Å; P169-V172 WeakPolarHBondContact O-CB 3.27Å; P169-V172 PolarHBondContact O-N 3.04Å; P169-W173 PolarHBondContact O-N 3.21Å; P169-W173 VanDerWaalsContact O-N 3.11Å
170L98.3Very high97.1Very high151 Ų15165.5 Ų65.579%0.79136%0.361SS*.Hα-helixtrans-57.9-33.7-178.4-67.1177.8000113.2W173 S174L170-W173 WeakPolarHBondContact O-CB 3.43Å; L170-W173 PolarHBondContact O-N 3.49Å; L170-S174 PolarHBondContact O-N 3.41Å
171F98.4Very high97.2Very high52 Ų5268.5 Ų68.523%0.22837%0.373CS..Hα-helixtrans-61.2-45.8174177.7-101.7000111.6F65 L69 V70 M73 P169 W173 S174 V175F65-F171 HydrophobicContact CB-CE2 4.29Å; F65-F171 HydrophobicContact CB-CZ 3.77Å; L69-F171 HydrophobicContact CB-CD1 4.19Å; L69-F171 HydrophobicContact CB-CE1 3.73Å; L69-F171 HydrophobicContact CD1-CD1 4.49Å; L69-F171 HydrophobicContact CD1-CE1 4.13Å; L69-F171 HydrophobicContact CD1-CZ 4.32Å; V70-F171 HydrophobicContact CG2-CE1 4.04Å; M73-F171 HydrophobicContact CE-CB 4.42Å; M73-F171 HydrophobicContact CE-CD1 4.17Å; M73-F171 HydrophobicContact SD-CB 4.07Å; M73-F171 HydrophobicContact SD-CD1 3.68Å; M73-F171 HydrophobicContact SD-CG 4.28Å; P169-F171 PolarHBondContact O-N 3.31Å; F171-W173 VanDerWaalsContact C-N 3.31Å; F171-W173 PolarHBondContact O-N 2.9Å; F171-S174 WeakPolarHBondContact O-CB 3.32Å; F171-S174 PolarHBondContact O-N 3.42Å; F171-S174 VanDerWaalsContact O-N 3.12Å; F171-S174 PolarHBondContact O-OG 2.95Å; F171-V175 HydrophobicContact CD1-CG2 4.36Å; F171-V175 HydrophobicContact CE1-CG2 3.81Å; F171-V175 HydrophobicContact CE2-CG2 4.11Å; F171-V175 HydrophobicContact CZ-CG2 3.66Å; F171-V175 WeakPolarHBondContact O-CG2 3.46Å; F171-V175 PolarHBondContact O-N 3.16Å
172V98.4Very high97.4Very high0 Ų062 Ų620%033%0.332CS..Hα-helixtrans-62.2-41.8177.8178.60000110.6V70 M73 L74 V155 M168 P169 S174 V175 V176V70-V172 HydrophobicContact CG1-CG1 4.41Å; M73-V172 HydrophobicContact CB-CG2 3.73Å; M73-V172 HydrophobicContact SD-CG2 4.07Å; L74-V172 HydrophobicContact CD1-CG1 4.42Å; L74-V172 HydrophobicContact CD2-CG1 4.04Å; L74-V172 HydrophobicContact CD2-CG2 4.47Å; L74-V172 HydrophobicContact CG-CG1 4.34Å; V155-V172 HydrophobicContact CB-CG1 4.47Å; V155-V172 HydrophobicContact CG1-CG1 3.78Å; V155-V172 HydrophobicContact CG2-CG1 3.8Å; M168-V172 HydrophobicContact SD-CG1 4.23Å; P169-V172 HydrophobicContact CB-CG2 4.31Å; P169-V172 HydrophobicContact CG-CG2 4.45Å; P169-V172 WeakPolarHBondContact O-CB 3.27Å; P169-V172 PolarHBondContact O-N 3.04Å; V172-S174 PolarHBondContact O-N 3.36Å; V172-V175 PolarHBondContact O-N 3.11Å; V172-V176 WeakPolarHBondContact O-CG2 3.46Å; V172-V176 PolarHBondContact O-N 3.45Å
173W98.4Very high97.7Very high89 Ų8962.1 Ų62.134%0.33732%0.319SS..Hα-helixtrans-57.6-45.9172.2-89.7115.1000112.7L165 M168 P169 L170 F171 V175 V176 I177L165-W173 HydrophobicContact CB-CZ2 4.19Å; L165-W173 WeakPolarHBondContact O-CZ2 3.13Å; L165-W173 PolarHBondContact O-NE1 2.7Å; M168-W173 HydrophobicContact CE-CD2 3.77Å; M168-W173 HydrophobicContact CE-CE3 4.18Å; M168-W173 HydrophobicContact CE-CG 4.35Å; M168-W173 HydrophobicContact CE-CH2 3.94Å; M168-W173 HydrophobicContact CE-CZ2 3.5Å; M168-W173 VanDerWaalsContact CE-CZ2 3.5Å; M168-W173 HydrophobicContact CE-CZ3 4.25Å; P169-W173 PolarHBondContact O-N 3.21Å; P169-W173 VanDerWaalsContact O-N 3.11Å; L170-W173 WeakPolarHBondContact O-CB 3.43Å; L170-W173 PolarHBondContact O-N 3.49Å; F171-W173 VanDerWaalsContact C-N 3.31Å; F171-W173 PolarHBondContact O-N 2.9Å; W173-V175 VanDerWaalsContact C-N 3.28Å; W173-V175 PolarHBondContact O-N 3.12Å; W173-V176 PolarHBondContact O-N 3.22Å; W173-I177 WeakPolarHBondContact O-CG1 3.32Å; W173-I177 PolarHBondContact O-N 3.47Å
174S98.4Very high97.8Very high55 Ų5566.3 Ų66.339%0.38534%0.341SS..Hα-helixtrans-60.4-38.8178.278.30000112.2L170 F171 V172 T178L170-S174 PolarHBondContact O-N 3.41Å; F171-S174 WeakPolarHBondContact O-CB 3.32Å; F171-S174 PolarHBondContact O-N 3.42Å; F171-S174 VanDerWaalsContact O-N 3.12Å; F171-S174 PolarHBondContact O-OG 2.95Å; V172-S174 PolarHBondContact O-N 3.36Å; S174-T178 WeakPolarHBondContact O-CB 3.44Å; S174-T178 PolarHBondContact O-N 3.19Å; S174-T178 PolarHBondContact O-OG1 3.29Å
175V98.4Very high97.9Very high2 Ų267 Ų671%0.01235%0.346CS..Hα-helixtrans-69.4-42.7178175.60000111V70 F151 F171 V172 W173 T178 A179V70-V175 HydrophobicContact CG2-CB 4.14Å; V70-V175 HydrophobicContact CG2-CG1 4.04Å; V70-V175 HydrophobicContact CG2-CG2 4.04Å; F151-V175 HydrophobicContact CB-CG1 4.29Å; F151-V175 HydrophobicContact CD1-CG1 3.79Å; F151-V175 HydrophobicContact CD2-CG1 4.22Å; F151-V175 HydrophobicContact CE1-CG1 4.22Å; F151-V175 HydrophobicContact CG-CG1 3.84Å; F171-V175 HydrophobicContact CD1-CG2 4.36Å; F171-V175 HydrophobicContact CE1-CG2 3.81Å; F171-V175 HydrophobicContact CE2-CG2 4.11Å; F171-V175 HydrophobicContact CZ-CG2 3.66Å; F171-V175 WeakPolarHBondContact O-CG2 3.46Å; F171-V175 PolarHBondContact O-N 3.16Å; V172-V175 PolarHBondContact O-N 3.11Å; W173-V175 VanDerWaalsContact C-N 3.28Å; W173-V175 PolarHBondContact O-N 3.12Å; V175-T178 PolarHBondContact O-N 3.01Å; V175-A179 VanDerWaalsContact O-CB 3.3Å; V175-A179 WeakPolarHBondContact O-CB 3.4Å; V175-A179 PolarHBondContact O-N 2.94Å
176V97.9Very high97.9Very high16 Ų1663.6 Ų63.610%0.09733%0.328CS..Hα-helixtrans-63.4-45.4177.5172.20000111.9V155 V172 W173 T178 A179 L180V155-V176 HydrophobicContact CB-CG2 3.54Å; V155-V176 HydrophobicContact CG1-CG2 3.43Å; V155-V176 VanDerWaalsContact CG1-CG2 3.43Å; V155-V176 HydrophobicContact CG2-CG2 3.52Å; V172-V176 WeakPolarHBondContact O-CG2 3.46Å; V172-V176 PolarHBondContact O-N 3.45Å; W173-V176 PolarHBondContact O-N 3.22Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 2.94Å; V176-A179 PolarHBondContact O-N 2.86Å; V176-L180 HydrophobicContact CG1-CD1 4.12Å; V176-L180 WeakPolarHBondContact O-CG 3.08Å; V176-L180 PolarHBondContact O-N 2.88Å
177I98.6Very high98.1Very high91 Ų9160.8 Ų60.847%0.46732%0.317SS..Hα-helixtrans-61-46178.1-67.8167.8000109.5W173 A179 L180 L181W173-I177 WeakPolarHBondContact O-CG1 3.32Å; W173-I177 PolarHBondContact O-N 3.47Å; I177-A179 PolarHBondContact O-N 3.11Å; I177-L180 PolarHBondContact O-N 3.34Å; I177-L181 HydrophobicContact CG2-CD1 4.2Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 2.77Å
178T98.6Very high98.2Very high50 Ų5055.6 Ų55.631%0.30730%0.304SS..Hα-helixtrans-61.4-43.4177-54.20000111.7I62 S174 V175 V176 L180 L181 L182I62-T178 HydrophobicContact CD1-CG2 3.64Å; I62-T178 HydrophobicContact CG1-CG2 4.08Å; S174-T178 WeakPolarHBondContact O-CB 3.44Å; S174-T178 PolarHBondContact O-N 3.19Å; S174-T178 PolarHBondContact O-OG1 3.29Å; V175-T178 PolarHBondContact O-N 3.01Å; V176-T178 VanDerWaalsContact C-N 3.31Å; V176-T178 PolarHBondContact O-N 2.94Å; T178-L180 VanDerWaalsContact C-N 3.35Å; T178-L180 PolarHBondContact O-N 2.93Å; T178-L181 PolarHBondContact O-N 3.49Å; T178-L182 HydrophobicContact CG2-CD1 4.09Å; T178-L182 HydrophobicContact CG2-CG 4.27Å; T178-L182 VanDerWaalsContact O-CG 3.3Å; T178-L182 WeakPolarHBondContact O-CG 3.41Å; T178-L182 PolarHBondContact O-N 2.83Å
179A98.4Very high98.2Very high0 Ų056.5 Ų56.50%031%0.309CS..Hα-helixtrans-61.2-41.6177.400000112.2A148 F151 I152 V175 V176 I177 L182 L183A148-A179 HydrophobicContact CB-CB 3.96Å; A148-A179 WeakPolarHBondContact CB-O 3.46Å; F151-A179 HydrophobicContact CB-CB 4.1Å; I152-A179 HydrophobicContact CD1-CB 4.19Å; I152-A179 HydrophobicContact CG1-CB 3.87Å; V175-A179 VanDerWaalsContact O-CB 3.3Å; V175-A179 WeakPolarHBondContact O-CB 3.4Å; V175-A179 PolarHBondContact O-N 2.94Å; V176-A179 PolarHBondContact O-N 2.86Å; I177-A179 PolarHBondContact O-N 3.11Å; A179-L182 PolarHBondContact O-N 3.46Å; A179-L183 WeakPolarHBondContact O-CB 3.36Å; A179-L183 PolarHBondContact O-N 3.25Å
180L98.6Very high98.2Very high79 Ų7955.6 Ų55.641%0.41431%0.306SS..Hα-helixtrans-61.9-45.2174.3-74.1168.7000111.5I152 V176 I177 T178 L183 L184I152-L180 HydrophobicContact CD1-CD2 3.8Å; I152-L180 HydrophobicContact CD1-CG 4.2Å; I152-L180 HydrophobicContact CG1-CD2 4.32Å; I152-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 HydrophobicContact CG1-CD1 4.12Å; V176-L180 WeakPolarHBondContact O-CG 3.08Å; V176-L180 PolarHBondContact O-N 2.88Å; I177-L180 PolarHBondContact O-N 3.34Å; T178-L180 VanDerWaalsContact C-N 3.35Å; T178-L180 PolarHBondContact O-N 2.93Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.59Å; L180-L184 VanDerWaalsContact O-N 3.15Å
181L98.6Very high98.2Very high108 Ų10849.8 Ų49.857%0.56528%0.283SS*.Hα-helixtrans-61.6-47.1177.3-67.2174.1000111.4I177 T178 L183 L184 S185I177-L181 HydrophobicContact CG2-CD1 4.2Å; I177-L181 WeakPolarHBondContact O-CG 3.48Å; I177-L181 PolarHBondContact O-N 2.77Å; T178-L181 PolarHBondContact O-N 3.49Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.49Å; L181-L184 PolarHBondContact O-N 3.42Å; L181-S185 WeakPolarHBondContact O-CB 3.45Å; L181-S185 PolarHBondContact O-N 3.14Å; L181-S185 PolarHBondContact O-OG 3.49Å
182L98Very high98.2Very high19 Ų1947.3 Ų47.310%0.09927%0.272CS..Hα-helixtrans-59.4-42.1177.7-70.3172.5000112.2M58 I62 A148 T178 A179 L184 L186M58-L182 HydrophobicContact SD-CD2 4.21Å; I62-L182 HydrophobicContact CG2-CD1 4.49Å; A148-L182 HydrophobicContact CB-CB 4.27Å; T178-L182 HydrophobicContact CG2-CD1 4.09Å; T178-L182 HydrophobicContact CG2-CG 4.27Å; T178-L182 VanDerWaalsContact O-CG 3.3Å; T178-L182 WeakPolarHBondContact O-CG 3.41Å; T178-L182 PolarHBondContact O-N 2.83Å; A179-L182 PolarHBondContact O-N 3.46Å; L182-L184 VanDerWaalsContact C-N 3.28Å; L182-L184 PolarHBondContact O-N 3.23Å; L182-L186 HydrophobicContact CB-CD1 4.11Å; L182-L186 HydrophobicContact CD2-CD1 4.02Å; L182-L186 HydrophobicContact CD2-CG 4.28Å; L182-L186 VanDerWaalsContact O-CB 3.27Å; L182-L186 WeakPolarHBondContact O-CB 3.4Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-L186 VanDerWaalsContact O-N 3.1Å
183L97.9Very high98.2Very high59 Ų5947.5 Ų47.531%0.30927%0.273SS..Hα-helixtrans-64.3-34.2179.3-175.862000112.1I145 A148 V149 I152 A179 L180 L181 P187I145-L183 HydrophobicContact CG2-CD1 4Å; A148-L183 HydrophobicContact CB-CB 4.46Å; V149-L183 HydrophobicContact CG2-CD1 3.84Å; I152-L183 HydrophobicContact CD1-CD2 3.94Å; A179-L183 WeakPolarHBondContact O-CB 3.36Å; A179-L183 PolarHBondContact O-N 3.25Å; L180-L183 PolarHBondContact O-N 3.49Å; L181-L183 VanDerWaalsContact C-N 3.33Å; L181-L183 PolarHBondContact O-N 3.49Å; L183-P187 VanDerWaalsContact O-CD 3.28Å; L183-P187 WeakPolarHBondContact O-CD 3.39Å; L183-P187 WeakPolarHBondContact O-CG 3.44Å
184L98.1Very high98.2Very high129 Ų12946 Ų4668%0.67527%0.274SS*.Hα-helixtrans-86.3-34.4-179.1-65.3174.3000113.1L180 L181 L182L180-L184 WeakPolarHBondContact O-CG 3.28Å; L180-L184 PolarHBondContact O-N 2.59Å; L180-L184 VanDerWaalsContact O-N 3.15Å; L181-L184 PolarHBondContact O-N 3.42Å; L182-L184 VanDerWaalsContact C-N 3.28Å; L182-L184 PolarHBondContact O-N 3.23Å
185S97.3Very high98.2Very high60 Ų6045.4 Ų45.442%0.4227%0.265SS..Hα-helixtrans-90-40.8-173.166.20000113.9L181 P187 V188 L189L181-S185 WeakPolarHBondContact O-CB 3.45Å; L181-S185 PolarHBondContact O-N 3.14Å; L181-S185 PolarHBondContact O-OG 3.49Å; S185-P187 VanDerWaalsContact C-CD 3.46Å; S185-V188 WeakPolarHBondContact O-CB 3.35Å; S185-V188 PolarHBondContact O-N 3.25Å; S185-L189 PolarHBondContact O-N 2.89Å
186L97.1Very high98.2Very high13 Ų1345.3 Ų45.37%0.06827%0.265CS..Hα-helixtrans-62-33.7-175.3-68.2176.6000114.5S144 I145 L182 V188 L189 A190S144-L186 VanDerWaalsContact CB-CD1 3.45Å; I145-L186 HydrophobicContact CD1-CB 3.91Å; I145-L186 HydrophobicContact CG1-CB 3.92Å; I145-L186 HydrophobicContact CG1-CD1 3.83Å; L182-L186 HydrophobicContact CB-CD1 4.11Å; L182-L186 HydrophobicContact CD2-CD1 4.02Å; L182-L186 HydrophobicContact CD2-CG 4.28Å; L182-L186 VanDerWaalsContact O-CB 3.27Å; L182-L186 WeakPolarHBondContact O-CB 3.4Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.48Å; L182-L186 PolarHBondContact O-N 2.91Å; L182-L186 VanDerWaalsContact O-N 3.1Å; L186-V188 VanDerWaalsContact C-N 3.26Å; L186-V188 PolarHBondContact O-N 2.81Å; L186-L189 HydrophobicContact CD2-CD2 4.41Å; L186-L189 PolarHBondContact O-N 3.45Å; L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.92Å
187P98.3Very high98.3Very high67 Ų6745.9 Ų45.944%0.43527%0.267SS..Hα-helixtrans-60.2-34.4172.9-26.436.6000113.6I145 L183 S185 G191I145-P187 HydrophobicContact CD1-CG 4.46Å; L183-P187 VanDerWaalsContact O-CD 3.28Å; L183-P187 WeakPolarHBondContact O-CD 3.39Å; L183-P187 WeakPolarHBondContact O-CG 3.44Å; S185-P187 VanDerWaalsContact C-CD 3.46Å; P187-G191 PolarHBondContact O-N 3Å
188V98.4Very high98.3Very high68 Ų6842.9 Ų42.941%0.41225%0.253SS..Hα-helixtrans-68.8-48.1178.3-174.20000110.1S185 L186 A190 G191 A192 L221S185-V188 WeakPolarHBondContact O-CB 3.35Å; S185-V188 PolarHBondContact O-N 3.25Å; L186-V188 VanDerWaalsContact C-N 3.26Å; L186-V188 PolarHBondContact O-N 2.81Å; V188-A190 PolarHBondContact O-N 3.4Å; V188-G191 PolarHBondContact O-N 3.04Å; V188-A192 PolarHBondContact O-N 3.44Å; V188-L221 HydrophobicContact CG1-CB 4.33Å; V188-L221 HydrophobicContact CG1-CD2 4.01Å; V188-L221 WeakPolarHBondContact CG1-O 3.36Å
189L97.5Very high98.2Very high29 Ų2941.7 Ų41.715%0.15225%0.245CC..Hα-helixtrans-57.3-48.9174.4175.863.1000111.2F54 S185 L186 G191 A192 I193 F222F54-L189 HydrophobicContact CZ-CD2 4.37Å; S185-L189 PolarHBondContact O-N 2.89Å; L186-L189 HydrophobicContact CD2-CD2 4.41Å; L186-L189 PolarHBondContact O-N 3.45Å; L189-G191 VanDerWaalsContact C-N 3.28Å; L189-G191 PolarHBondContact O-N 3.33Å; L189-A192 WeakPolarHBondContact O-CB 3.39Å; L189-A192 PolarHBondContact O-N 3.07Å; L189-A192 VanDerWaalsContact O-N 3.11Å; L189-I193 HydrophobicContact CD1-CG2 4.15Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 3.49Å; L189-F222 HydrophobicContact CD1-CD2 3.84Å; L189-F222 HydrophobicContact CD1-CE2 4.03Å
190A98.2Very high98.2Very high31 Ų3143.1 Ų43.126%0.25625%0.25SS..Hα-helixtrans-58-40.7178.100000111.8L186 V188 I193 T194L186-A190 WeakPolarHBondContact O-CB 3.3Å; L186-A190 PolarHBondContact O-N 2.92Å; V188-A190 PolarHBondContact O-N 3.4Å; A190-I193 WeakPolarHBondContact O-CG1 3.48Å; A190-T194 VanDerWaalsContact O-CB 3.27Å; A190-T194 WeakPolarHBondContact O-CB 3.41Å; A190-T194 PolarHBondContact O-N 2.98Å; A190-T194 PolarHBondContact O-OG1 3Å
191G98.4Very high98.2Very high29 Ų2943.5 Ų43.530%0.29925%0.252SS..Hα-helixtrans-60.1-48.5172.500000112.4P187 V188 L189 I193 T194 M195P187-G191 PolarHBondContact O-N 3Å; V188-G191 PolarHBondContact O-N 3.04Å; L189-G191 VanDerWaalsContact C-N 3.28Å; L189-G191 PolarHBondContact O-N 3.33Å; G191-I193 PolarHBondContact O-N 3.23Å; G191-T194 PolarHBondContact O-N 3.33Å; G191-M195 WeakPolarHBondContact O-CE 3.43Å; G191-M195 WeakPolarHBondContact O-CG 3.28Å; G191-M195 PolarHBondContact O-N 2.84Å
192A98.6Very high98.1Very high0 Ų044.2 Ų44.20%026%0.256CS..Hα-helixtrans-58-50.4179.300000112.5V188 L189 T194 M195 L196 Y218 L221V188-A192 PolarHBondContact O-N 3.44Å; L189-A192 WeakPolarHBondContact O-CB 3.39Å; L189-A192 PolarHBondContact O-N 3.07Å; L189-A192 VanDerWaalsContact O-N 3.11Å; A192-T194 VanDerWaalsContact C-N 3.34Å; A192-T194 PolarHBondContact O-N 3.14Å; A192-M195 PolarHBondContact O-N 3.3Å; A192-L196 PolarHBondContact O-N 3.16Å; A192-Y218 HydrophobicContact CB-CE2 4.31Å; A192-L221 HydrophobicContact CB-CB 3.72Å; A192-L221 HydrophobicContact CB-CD1 4.24Å
193I98.5Very high98Very high3 Ų351 Ų512%0.01529%0.292CS..Hα-helixtrans-73.6-25-17964.4175.6000112.5I134 L137 H138 L189 A190 G191 L197I134-I193 HydrophobicContact CG1-CB 4.35Å; I134-I193 HydrophobicContact CG2-CB 4.09Å; I134-I193 HydrophobicContact CG2-CD1 4.27Å; I134-I193 HydrophobicContact CG2-CG1 4.21Å; L137-I193 HydrophobicContact CB-CD1 3.87Å; H138-I193 VanDerWaalsContact CE1-CG1 3.43Å; H138-I193 WeakPolarHBondContact CE1-CG1 3.23Å; L189-I193 HydrophobicContact CD1-CG2 4.15Å; L189-I193 WeakPolarHBondContact O-CG1 3.42Å; L189-I193 PolarHBondContact O-N 3.49Å; A190-I193 WeakPolarHBondContact O-CG1 3.48Å; G191-I193 PolarHBondContact O-N 3.23Å; I193-L197 WeakPolarHBondContact O-CB 3.31Å; I193-L197 PolarHBondContact O-N 3.49Å
194T98.7Very high98Very high59 Ų5950.5 Ų50.536%0.36229%0.292SS..Hα-helixtrans-69.6-46.5170-62.40000111.1H138 A190 G191 A192 L196 L197 T198H138-T194 PolarHBondContact NE2-OG1 2.83Å; A190-T194 VanDerWaalsContact O-CB 3.27Å; A190-T194 WeakPolarHBondContact O-CB 3.41Å; A190-T194 PolarHBondContact O-N 2.98Å; A190-T194 PolarHBondContact O-OG1 3Å; G191-T194 PolarHBondContact O-N 3.33Å; A192-T194 VanDerWaalsContact C-N 3.34Å; A192-T194 PolarHBondContact O-N 3.14Å; T194-L196 PolarHBondContact O-N 3.5Å; T194-L197 WeakPolarHBondContact O-CA 3.32Å; T194-L197 WeakPolarHBondContact O-CB 3.34Å; T194-L197 PolarHBondContact O-N 2.91Å; T194-T198 WeakPolarHBondContact O-CG2 3.38Å; T194-T198 PolarHBondContact O-N 2.97Å
195M98.7Very high98Very high42 Ų4246.9 Ų46.921%0.20728%0.277CS..Hα-helixtrans-58.1-38.5174.6-75.3-177.3-77.800111.2G191 A192 T198 D199 F206 F207 L221G191-M195 WeakPolarHBondContact O-CE 3.43Å; G191-M195 WeakPolarHBondContact O-CG 3.28Å; G191-M195 PolarHBondContact O-N 2.84Å; A192-M195 PolarHBondContact O-N 3.3Å; M195-T198 PolarHBondContact O-N 3.3Å; M195-T198 PolarHBondContact O-OG1 2.75Å; M195-D199 PolarHBondContact O-N 2.96Å; M195-F206 HydrophobicContact CB-CB 4.22Å; M195-F206 HydrophobicContact CB-CD2 3.77Å; M195-F206 HydrophobicContact CB-CE2 4.27Å; M195-F206 HydrophobicContact CB-CG 3.93Å; M195-F206 HydrophobicContact CG-CD1 4.09Å; M195-F206 HydrophobicContact CG-CD2 3.86Å; M195-F206 HydrophobicContact CG-CE1 4.15Å; M195-F206 HydrophobicContact CG-CE2 3.93Å; M195-F206 HydrophobicContact CG-CG 3.96Å; M195-F206 HydrophobicContact CG-CZ 4.07Å; M195-F206 HydrophobicContact SD-CD1 3.63Å; M195-F206 HydrophobicContact SD-CD2 4.47Å; M195-F206 HydrophobicContact SD-CE1 3.83Å; M195-F206 HydrophobicContact SD-CG 3.99Å; M195-F206 HydrophobicContact SD-CZ 4.35Å; M195-F207 HydrophobicContact CB-CE2 3.62Å; M195-F207 HydrophobicContact CB-CZ 3.73Å; M195-F207 HydrophobicContact CE-CZ 4.34Å; M195-F207 HydrophobicContact SD-CZ 4.49Å; M195-L221 HydrophobicContact CE-CD1 3.34Å
196L98.6Very high98.1Very high0 Ų048.2 Ų48.20%028%0.276CS..Hα-helixtrans-66.1-42.3175177.763.3000111.1V115 P117 S120 I134 A192 T194 T198 D199 R200 F207 Y218V115-L196 HydrophobicContact CG1-CD2 3.78Å; P117-L196 HydrophobicContact CB-CD1 4.09Å; P117-L196 HydrophobicContact CG-CD1 4.41Å; S120-L196 WeakPolarHBondContact OG-CD2 3.34Å; I134-L196 HydrophobicContact CD1-CD2 4.05Å; I134-L196 HydrophobicContact CD1-CG 4.2Å; A192-L196 PolarHBondContact O-N 3.16Å; T194-L196 PolarHBondContact O-N 3.5Å; L196-T198 VanDerWaalsContact C-N 3.29Å; L196-T198 PolarHBondContact O-N 3.02Å; L196-D199 PolarHBondContact O-N 3.38Å; L196-R200 HydrophobicContact CD1-CG 4.4Å; L196-R200 WeakPolarHBondContact O-CB 3.45Å; L196-R200 VanDerWaalsContact O-CG 3.22Å; L196-R200 WeakPolarHBondContact O-CG 3.28Å; L196-R200 PolarHBondContact O-N 3.34Å; L196-F207 HydrophobicContact CB-CD2 4.32Å; L196-F207 HydrophobicContact CB-CE2 4.03Å; L196-F207 HydrophobicContact CD1-CD2 4.39Å; L196-Y218 HydrophobicContact CB-CE2 4.15Å; L196-Y218 HydrophobicContact CD2-CE2 3.96Å
197L98.6Very high98.1Very high28 Ų2847.7 Ų47.715%0.14727%0.273CS..Hα-helixtrans-60.4-39.1176.2-171.870.1000111.7D131 I134 F135 I193 T194 R200 N201D131-L197 HydrophobicContact CB-CD1 3.88Å; D131-L197 VanDerWaalsContact OD1-CD1 3.23Å; D131-L197 WeakPolarHBondContact OD1-CD1 3.48Å; I134-L197 HydrophobicContact CD1-CB 4.26Å; I134-L197 HydrophobicContact CD1-CD1 4.22Å; I134-L197 HydrophobicContact CG2-CB 4.28Å; I134-L197 HydrophobicContact CG2-CD1 4.36Å; I134-L197 HydrophobicContact CG2-CD2 4.41Å; F135-L197 HydrophobicContact CE1-CD2 3.86Å; F135-L197 HydrophobicContact CZ-CD1 4.49Å; F135-L197 HydrophobicContact CZ-CD2 3.84Å; I193-L197 WeakPolarHBondContact O-CB 3.31Å; I193-L197 PolarHBondContact O-N 3.49Å; T194-L197 WeakPolarHBondContact O-CA 3.32Å; T194-L197 WeakPolarHBondContact O-CB 3.34Å; T194-L197 PolarHBondContact O-N 2.91Å; L197-R200 PolarHBondContact O-N 2.73Å; L197-N201 WeakPolarHBondContact CD1-ND2 3.34Å; L197-N201 WeakPolarHBondContact O-CB 3.35Å; L197-N201 PolarHBondContact O-N 3.36Å; L197-N201 PolarHBondContact O-ND2 2.8Å
198T98.4Very high98.1Very high28 Ų2847.3 Ų47.317%0.17227%0.267CS..Hα-helixtrans-72.3-36176.763.20000112.2T194 M195 L196 R200 N201 L202 N203 T204T194-T198 WeakPolarHBondContact O-CG2 3.38Å; T194-T198 PolarHBondContact O-N 2.97Å; M195-T198 PolarHBondContact O-N 3.3Å; M195-T198 PolarHBondContact O-OG1 2.75Å; L196-T198 VanDerWaalsContact C-N 3.29Å; L196-T198 PolarHBondContact O-N 3.02Å; T198-R200 PolarHBondContact O-N 3.43Å; T198-N201 PolarHBondContact O-N 2.78Å; T198-L202 HydrophobicContact CG2-CD1 3.87Å; T198-L202 CarbonylContact O-C 3.53Å; T198-L202 WeakPolarHBondContact O-CA 3.35Å; T198-L202 WeakPolarHBondContact O-CB 3.43Å; T198-L202 PolarHBondContact O-N 2.89Å; T198-N203 PolarHBondContact O-N 3.03Å; T198-T204 WeakPolarHBondContact CB-OG1 3.5Å; T198-T204 PolarHBondContact O-OG1 3.12Å; T198-T204 PolarHBondContact OG1-OG1 3.07Å
199D98.1Very high98Very high25 Ų2548 Ų4813%0.13427%0.273CS..Hα-helixtrans-62.9-37.1173.6-83.312000110.8M195 L196 T204 S205 F206 F207M195-D199 PolarHBondContact O-N 2.96Å; L196-D199 PolarHBondContact O-N 3.38Å; D199-T204 VanDerWaalsContact CA-OG1 3.31Å; D199-T204 WeakPolarHBondContact CA-OG1 3.41Å; D199-T204 PolarHBondContact N-OG1 3.32Å; D199-T204 WeakPolarHBondContact OD1-CB 3.44Å; D199-T204 PolarHBondContact OD1-OG1 2.91Å; D199-S205 WeakPolarHBondContact OD1-CA 3.23Å; D199-S205 PolarHBondContact OD1-N 2.84Å; D199-S205 VanDerWaalsContact OD1-N 3.12Å; D199-F206 VanDerWaalsContact CG-N 3.33Å; D199-F206 WeakPolarHBondContact OD1-CD2 3.17Å; D199-F206 PolarHBondContact OD1-N 3.26Å; D199-F206 PolarHBondContact OD2-N 2.97Å; D199-F207 PolarHBondContact OD2-N 2.57Å
200R97.7Very high97.9Very high30 Ų3051.2 Ų51.211%0.11330%0.304CS..Hα-helixtrans-71.1-38.7177.6-70.6170.657.965.615.7113.7S120 H125 G127 D131 L196 L197 T198S120-R200 WeakPolarHBondContact O-CD 3.19Å; S120-R200 PolarHBondContact O-NH1 2.89Å; H125-R200 PolarHBondContact O-NH1 2.74Å; H125-R200 PolarHBondContact O-NH2 2.91Å; G127-R200 PolarHBondContact O-NH2 3.19Å; D131-R200 IonicContact OD1-CZ 3.48Å; D131-R200 IonicContact OD1-NE 2.74Å; D131-R200 PolarHBondContact OD1-NE 3.18Å; D131-R200 IonicContact OD1-NH2 3.34Å; D131-R200 PolarHBondContact OD1-NH2 3.12Å; D131-R200 IonicContact OD2-CZ 3.86Å; D131-R200 IonicContact OD2-NE 3.86Å; D131-R200 IonicContact OD2-NH2 2.97Å; D131-R200 PolarHBondContact OD2-NH2 3.02Å; L196-R200 HydrophobicContact CD1-CG 4.4Å; L196-R200 WeakPolarHBondContact O-CB 3.45Å; L196-R200 VanDerWaalsContact O-CG 3.22Å; L196-R200 WeakPolarHBondContact O-CG 3.28Å; L196-R200 PolarHBondContact O-N 3.34Å; L197-R200 PolarHBondContact O-N 2.73Å; T198-R200 PolarHBondContact O-N 3.43Å
201N98.1Very high97.7Very high86 Ų8651.8 Ų51.846%0.4631%0.313SS..Hα-helixtrans-120.7-20.4-163.4-64.4-79.3000115.2D131 L197 T198D131-N201 PolarHBondContact OD1-ND2 2.97Å; L197-N201 WeakPolarHBondContact CD1-ND2 3.34Å; L197-N201 WeakPolarHBondContact O-CB 3.35Å; L197-N201 PolarHBondContact O-N 3.36Å; L197-N201 PolarHBondContact O-ND2 2.8Å; T198-N201 PolarHBondContact O-N 2.78Å
202L97.7Very high97.7Very high123 Ų12353.8 Ų53.864%0.64433%0.334SS*.SBendtrans-121.614.8-171.5-58.2-177.5000113.2T198 T204T198-L202 HydrophobicContact CG2-CD1 3.87Å; T198-L202 CarbonylContact O-C 3.53Å; T198-L202 WeakPolarHBondContact O-CA 3.35Å; T198-L202 WeakPolarHBondContact O-CB 3.43Å; T198-L202 PolarHBondContact O-N 2.89Å; L202-T204 PolarHBondContact O-N 2.86Å
203N96Very high97.6Very high161 Ų16154.6 Ų54.686%0.86134%0.342SS*.  trans55.232.6179.6-55.1-56.2000113.7T198T198-N203 PolarHBondContact O-N 3.03Å
204T97.9Very high97.6Very high50 Ų5058 Ų5831%0.30736%0.36SS..  trans-79.9168.6165.263.70000110.2T198 D199 L202 F206T198-T204 WeakPolarHBondContact CB-OG1 3.5Å; T198-T204 PolarHBondContact O-OG1 3.12Å; T198-T204 PolarHBondContact OG1-OG1 3.07Å; D199-T204 VanDerWaalsContact CA-OG1 3.31Å; D199-T204 WeakPolarHBondContact CA-OG1 3.41Å; D199-T204 PolarHBondContact N-OG1 3.32Å; D199-T204 WeakPolarHBondContact OD1-CB 3.44Å; D199-T204 PolarHBondContact OD1-OG1 2.91Å; L202-T204 PolarHBondContact O-N 2.86Å; T204-F206 HydrophobicContact CG2-CE2 4.25Å
205S97.5Very high97.5Very high52 Ų5256.4 Ų56.436%0.36435%0.351SS..  trans-139.950.3-177.760.90000112.2D199 F207 G211 G213D199-S205 WeakPolarHBondContact OD1-CA 3.23Å; D199-S205 PolarHBondContact OD1-N 2.84Å; D199-S205 VanDerWaalsContact OD1-N 3.12Å; S205-F207 VanDerWaalsContact C-N 3.35Å; S205-G211 PolarHBondContact OG-O 3.4Å; S205-G213 VanDerWaalsContact O-CA 3.28Å; S205-G213 WeakPolarHBondContact O-CA 3.34Å; S205-G213 PolarHBondContact O-N 3.41Å
206F98.4Very high97.5Very high89 Ų8958.4 Ų58.439%0.3936%0.362SS..SBendtrans-64.1-40.7176.2-72.2-77.2000112M195 D199 T204 G213 D214M195-F206 HydrophobicContact CB-CB 4.22Å; M195-F206 HydrophobicContact CB-CD2 3.77Å; M195-F206 HydrophobicContact CB-CE2 4.27Å; M195-F206 HydrophobicContact CB-CG 3.93Å; M195-F206 HydrophobicContact CG-CD1 4.09Å; M195-F206 HydrophobicContact CG-CD2 3.86Å; M195-F206 HydrophobicContact CG-CE1 4.15Å; M195-F206 HydrophobicContact CG-CE2 3.93Å; M195-F206 HydrophobicContact CG-CG 3.96Å; M195-F206 HydrophobicContact CG-CZ 4.07Å; M195-F206 HydrophobicContact SD-CD1 3.63Å; M195-F206 HydrophobicContact SD-CD2 4.47Å; M195-F206 HydrophobicContact SD-CE1 3.83Å; M195-F206 HydrophobicContact SD-CG 3.99Å; M195-F206 HydrophobicContact SD-CZ 4.35Å; D199-F206 VanDerWaalsContact CG-N 3.33Å; D199-F206 WeakPolarHBondContact OD1-CD2 3.17Å; D199-F206 PolarHBondContact OD1-N 3.26Å; D199-F206 PolarHBondContact OD2-N 2.97Å; T204-F206 HydrophobicContact CG2-CE2 4.25Å; F206-G213 WeakPolarHBondContact O-CA 3.24Å; F206-D214 PolarHBondContact O-N 2.95Å; F206-D214 VanDerWaalsContact O-N 3.12Å
207F98.4Very high97.5Very high2 Ų261.9 Ų61.91%0.00938%0.38CS..SBendtrans-118.1-1.8-173.3-49.7-56.6000113.7P117 M195 L196 D199 S205 P209 P215 L217 Y218 L221P117-F207 HydrophobicContact CB-CB 3.91Å; P117-F207 HydrophobicContact CG-CB 3.55Å; P117-F207 HydrophobicContact CG-CD2 4.06Å; P117-F207 HydrophobicContact CG-CG 3.83Å; M195-F207 HydrophobicContact CB-CE2 3.62Å; M195-F207 HydrophobicContact CB-CZ 3.73Å; M195-F207 HydrophobicContact CE-CZ 4.34Å; M195-F207 HydrophobicContact SD-CZ 4.49Å; L196-F207 HydrophobicContact CB-CD2 4.32Å; L196-F207 HydrophobicContact CB-CE2 4.03Å; L196-F207 HydrophobicContact CD1-CD2 4.39Å; D199-F207 PolarHBondContact OD2-N 2.57Å; S205-F207 VanDerWaalsContact C-N 3.35Å; F207-P209 WeakPolarHBondContact O-CD 3.35Å; F207-P215 VanDerWaalsContact O-CD 3.24Å; F207-P215 WeakPolarHBondContact O-CD 3.49Å; F207-P215 VanDerWaalsContact O-CG 3.28Å; F207-P215 WeakPolarHBondContact O-CG 3.22Å; F207-L217 HydrophobicContact CD1-CB 4.39Å; F207-L217 HydrophobicContact CE1-CB 4.29Å; F207-L217 HydrophobicContact CE1-CD2 4.2Å; F207-L217 HydrophobicContact CE1-CG 4.11Å; F207-Y218 HydrophobicContact CD2-CD2 4.1Å; F207-Y218 HydrophobicContact CE1-CD2 4.21Å; F207-Y218 HydrophobicContact CE1-CG 4.45Å; F207-Y218 AromaticContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CE2 4.47Å; F207-Y218 AromaticContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CG 4.39Å; F207-L221 HydrophobicContact CE1-CD1 4.29Å; F207-L221 HydrophobicContact CZ-CD1 4.32Å
208D97.1Very high97.5Very high58 Ų5860.5 Ų60.531%0.3137%0.373SS..  trans-89.7112.8177.6-1783.7000111.7A210 G211 G212 G213D208-A210 PolarHBondContact O-N 3.29Å; D208-A210 WeakPolarHBondContact OD1-CB 3.48Å; D208-A210 PolarHBondContact OD1-N 2.97Å; D208-G211 PolarHBondContact O-N 3.15Å; D208-G212 PolarHBondContact O-N 3.44Å; D208-G213 WeakPolarHBondContact O-CA 3.24Å; D208-G213 PolarHBondContact O-N 2.94Å
209P96.6Very high97.5Very high83 Ų8363 Ų6354%0.53938%0.382SS..G310 helixtrans-57.5-29176.7-24.835.6000114.5F207 G211 G212 G213 P215F207-P209 WeakPolarHBondContact O-CD 3.35Å; P209-G211 PolarHBondContact O-N 3.11Å; P209-G212 PolarHBondContact O-N 3.27Å; P209-G212 VanDerWaalsContact O-N 3.1Å; P209-G213 WeakPolarHBondContact CA-O 3.31Å; P209-P215 HydrophobicContact CG-CG 4.03Å
210A95.3Very high97.5Very high96 Ų9668.3 Ų68.379%0.79341%0.406SS*.G310 helixtrans-66.3-28.4178.600000112.3D208D208-A210 PolarHBondContact O-N 3.29Å; D208-A210 WeakPolarHBondContact OD1-CB 3.48Å; D208-A210 PolarHBondContact OD1-N 2.97Å
211G95.1Very high97.5Very high43 Ų4368.9 Ų68.944%0.44341%0.411SS..G310 helixtrans-97.39172.700000114.2S205 D208 P209S205-G211 PolarHBondContact OG-O 3.4Å; D208-G211 PolarHBondContact O-N 3.15Å; P209-G211 PolarHBondContact O-N 3.11Å
212G96.9Very high97.5Very high72 Ų7266.4 Ų66.474%0.74240%0.396SS*.THydrogen-bonded Turntrans85.58.6-178.900000115.6D208 P209D208-G212 PolarHBondContact O-N 3.44Å; P209-G212 PolarHBondContact O-N 3.27Å; P209-G212 VanDerWaalsContact O-N 3.1Å
213G97.8Very high97.4Very high16 Ų1670.2 Ų70.217%0.16540%0.402CS..  trans-77.6172.7173.200000113.5S205 F206 D208 P209S205-G213 VanDerWaalsContact O-CA 3.28Å; S205-G213 WeakPolarHBondContact O-CA 3.34Å; S205-G213 PolarHBondContact O-N 3.41Å; F206-G213 WeakPolarHBondContact O-CA 3.24Å; D208-G213 WeakPolarHBondContact O-CA 3.24Å; D208-G213 PolarHBondContact O-N 2.94Å; P209-G213 WeakPolarHBondContact CA-O 3.31Å
214D98.1Very high97.5Very high75 Ų7565.7 Ų65.740%0.40138%0.379SS..  trans-134.9113.9-179.2-174.2-0000111.6F206 I216 L217F206-D214 PolarHBondContact O-N 2.95Å; F206-D214 VanDerWaalsContact O-N 3.12Å; D214-I216 PolarHBondContact O-N 2.86Å; D214-I216 VanDerWaalsContact O-N 3.14Å; D214-I216 VanDerWaalsContact OD1-CB 3.28Å; D214-I216 WeakPolarHBondContact OD1-CB 3.31Å; D214-I216 WeakPolarHBondContact OD1-CG1 3.39Å; D214-I216 PolarHBondContact OD1-N 3.35Å; D214-L217 HydrophobicContact CB-CB 4.32Å; D214-L217 VanDerWaalsContact O-CB 3.23Å; D214-L217 WeakPolarHBondContact O-CB 3.34Å; D214-L217 PolarHBondContact O-N 2.93Å
215P97.4Very high97.5Very high26 Ų2666.5 Ų66.517%0.16938%0.383CS..Hα-helixtrans-56.7-24.8172.5-24.832.8000114.2F207 P209 L217 Y218 Q219F207-P215 VanDerWaalsContact O-CD 3.24Å; F207-P215 WeakPolarHBondContact O-CD 3.49Å; F207-P215 VanDerWaalsContact O-CG 3.28Å; F207-P215 WeakPolarHBondContact O-CG 3.22Å; P209-P215 HydrophobicContact CG-CG 4.03Å; P215-L217 VanDerWaalsContact C-N 3.31Å; P215-Y218 WeakPolarHBondContact O-CB 3.28Å; P215-Y218 PolarHBondContact O-N 2.9Å; P215-Q219 PolarHBondContact O-N 2.85Å
216I98.4Very high97.5Very high84 Ų8467.3 Ų67.343%0.43138%0.384SS..Hα-helixtrans-70.7-30.5176.9-56.8175.3000110.6D214 Y218 Q219 H220D214-I216 PolarHBondContact O-N 2.86Å; D214-I216 VanDerWaalsContact O-N 3.14Å; D214-I216 VanDerWaalsContact OD1-CB 3.28Å; D214-I216 WeakPolarHBondContact OD1-CB 3.31Å; D214-I216 WeakPolarHBondContact OD1-CG1 3.39Å; D214-I216 PolarHBondContact OD1-N 3.35Å; I216-Y218 PolarHBondContact O-N 3.35Å; I216-Q219 WeakPolarHBondContact O-CB 3.33Å; I216-Q219 PolarHBondContact O-N 2.92Å; I216-H220 PolarHBondContact O-CD2 3.04Å; I216-H220 PolarHBondContact O-N 3.1Å
217L98.4Very high97.4Very high72 Ų7266.1 Ų66.138%0.37738%0.384SS..Hα-helixtrans-57.5-41.2172177.662.3000110.9F207 D214 P215 Q219 H220 L221F207-L217 HydrophobicContact CD1-CB 4.39Å; F207-L217 HydrophobicContact CE1-CB 4.29Å; F207-L217 HydrophobicContact CE1-CD2 4.2Å; F207-L217 HydrophobicContact CE1-CG 4.11Å; D214-L217 HydrophobicContact CB-CB 4.32Å; D214-L217 VanDerWaalsContact O-CB 3.23Å; D214-L217 WeakPolarHBondContact O-CB 3.34Å; D214-L217 PolarHBondContact O-N 2.93Å; P215-L217 VanDerWaalsContact C-N 3.31Å; L217-Q219 VanDerWaalsContact C-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.45Å; L217-H220 PolarHBondContact O-N 3.3Å; L217-L221 HydrophobicContact CD1-CD1 4.25Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 4.03Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 3.06Å
218Y98.6Very high97.4Very high0 Ų070.1 Ų70.10%041%0.407CS..Hα-helixtrans-58.6-44.8175.1-174.8-77.8000110.9T114 Y116 P117 A192 L196 F207 P215 I216 H220 L221 F222T114-Y218 WeakPolarHBondContact O-CE1 3.49Å; T114-Y218 PolarHBondContact O-OH 3.19Å; Y116-Y218 AromaticContact CD1-CD1 3.51Å; Y116-Y218 HydrophobicContact CD1-CD1 3.51Å; Y116-Y218 AromaticContact CD1-CE1 3.65Å; Y116-Y218 HydrophobicContact CD1-CE1 3.65Å; Y116-Y218 AromaticContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CD1 3.95Å; Y116-Y218 HydrophobicContact CE1-CE1 4.06Å; P117-Y218 VanDerWaalsContact CD-CG 3.45Å; P117-Y218 HydrophobicContact CG-CD2 4.02Å; P117-Y218 HydrophobicContact CG-CG 3.91Å; A192-Y218 HydrophobicContact CB-CE2 4.31Å; L196-Y218 HydrophobicContact CB-CE2 4.15Å; L196-Y218 HydrophobicContact CD2-CE2 3.96Å; F207-Y218 HydrophobicContact CD2-CD2 4.1Å; F207-Y218 HydrophobicContact CE1-CD2 4.21Å; F207-Y218 HydrophobicContact CE1-CG 4.45Å; F207-Y218 AromaticContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CD2 3.66Å; F207-Y218 HydrophobicContact CE2-CE2 4.47Å; F207-Y218 AromaticContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CD2 3.73Å; F207-Y218 HydrophobicContact CZ-CG 4.39Å; P215-Y218 WeakPolarHBondContact O-CB 3.28Å; P215-Y218 PolarHBondContact O-N 2.9Å; I216-Y218 PolarHBondContact O-N 3.35Å; Y218-H220 VanDerWaalsContact C-N 3.31Å; Y218-H220 PolarHBondContact O-N 3.36Å; Y218-L221 PolarHBondContact O-N 3.23Å; Y218-L221 VanDerWaalsContact O-N 3.16Å; Y218-F222 HydrophobicContact CD1-CB 4.23Å; Y218-F222 HydrophobicContact CE1-CB 3.94Å; Y218-F222 AromaticContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CG 4.18Å; Y218-F222 WeakPolarHBondContact O-CB 3.4Å; Y218-F222 PolarHBondContact O-N 3.46Å
219Q98.2Very high97.4Very high79 Ų7970.9 Ų70.937%0.36941%0.414SS..Hα-helixtrans-61.1-41.7179.1-57.9-175.63300111.6Y116 P215 I216 L217 L221 F222 W223Y116-Q219 HydrophobicContact CD1-CG 4.1Å; Y116-Q219 HydrophobicContact CE1-CB 4.36Å; Y116-Q219 HydrophobicContact CE1-CG 3.73Å; P215-Q219 PolarHBondContact O-N 2.85Å; I216-Q219 WeakPolarHBondContact O-CB 3.33Å; I216-Q219 PolarHBondContact O-N 2.92Å; L217-Q219 VanDerWaalsContact C-N 3.3Å; L217-Q219 PolarHBondContact O-N 3.45Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 3.23Å; Q219-F222 PolarHBondContact O-N 2.79Å; Q219-W223 PolarHBondContact O-N 3.37Å; Q219-W223 VanDerWaalsContact O-N 3.1Å
220H98.3Very high97.4Very high138 Ų13870 Ų7064%0.63941%0.405SS*.Hα-helixtrans-64.7-31.1176.1-76.9-57.6000114I216 L217 Y218I216-H220 PolarHBondContact O-CD2 3.04Å; I216-H220 PolarHBondContact O-N 3.1Å; L217-H220 PolarHBondContact O-N 3.3Å; Y218-H220 VanDerWaalsContact C-N 3.31Å; Y218-H220 PolarHBondContact O-N 3.36Å
221L98Very high97.6Very high41 Ų4168 Ų6822%0.21538%0.375CS..Hα-helixtrans-82.8-26.9177.1-64.4167.4000112.3V188 A192 M195 F207 L217 Y218 Q219V188-L221 HydrophobicContact CG1-CB 4.33Å; V188-L221 HydrophobicContact CG1-CD2 4.01Å; V188-L221 WeakPolarHBondContact CG1-O 3.36Å; A192-L221 HydrophobicContact CB-CB 3.72Å; A192-L221 HydrophobicContact CB-CD1 4.24Å; M195-L221 HydrophobicContact CE-CD1 3.34Å; F207-L221 HydrophobicContact CE1-CD1 4.29Å; F207-L221 HydrophobicContact CZ-CD1 4.32Å; L217-L221 HydrophobicContact CD1-CD1 4.25Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 4.03Å; L217-L221 VanDerWaalsContact O-CG 3.31Å; L217-L221 WeakPolarHBondContact O-CG 3.41Å; L217-L221 PolarHBondContact O-N 3.06Å; Y218-L221 PolarHBondContact O-N 3.23Å; Y218-L221 VanDerWaalsContact O-N 3.16Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 3.23Å
222F97.4Very high97.8Very high35 Ų3570.1 Ų70.115%0.15437%0.369CS..Hα-helixtrans-77.8-39.6-179.2-175.9-87.8000112.8W113 T114 L189 Y218 Q219W113-F222 HydrophobicContact CD2-CZ 4.39Å; W113-F222 HydrophobicContact CE3-CE1 4.48Å; W113-F222 AromaticContact CE3-CZ 3.8Å; W113-F222 HydrophobicContact CE3-CZ 3.8Å; W113-F222 AromaticContact CH2-CE1 3.8Å; W113-F222 HydrophobicContact CH2-CE1 3.8Å; W113-F222 AromaticContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CH2-CZ 3.9Å; W113-F222 HydrophobicContact CZ2-CE1 4.25Å; W113-F222 HydrophobicContact CZ2-CZ 4.48Å; W113-F222 AromaticContact CZ3-CE1 3.94Å; W113-F222 HydrophobicContact CZ3-CE1 3.94Å; W113-F222 AromaticContact CZ3-CZ 3.54Å; W113-F222 HydrophobicContact CZ3-CZ 3.54Å; T114-F222 HydrophobicContact CG2-CD1 4.41Å; T114-F222 HydrophobicContact CG2-CE1 3.73Å; T114-F222 HydrophobicContact CG2-CZ 3.98Å; L189-F222 HydrophobicContact CD1-CD2 3.84Å; L189-F222 HydrophobicContact CD1-CE2 4.03Å; Y218-F222 HydrophobicContact CD1-CB 4.23Å; Y218-F222 HydrophobicContact CE1-CB 3.94Å; Y218-F222 AromaticContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CD2 3.93Å; Y218-F222 HydrophobicContact CE1-CG 4.18Å; Y218-F222 WeakPolarHBondContact O-CB 3.4Å; Y218-F222 PolarHBondContact O-N 3.46Å; Q219-F222 PolarHBondContact O-N 2.79Å
223W96.4Very high97.9Very high203 Ų20369.9 Ų69.977%0.76934%0.335SS*.  trans-89.20-177.9-68.7120.2000113.1W113 T114 Y116 Q219W113-W223 HydrophobicContact CH2-CH2 4.34Å; W113-W223 HydrophobicContact CH2-CZ3 4.27Å; W113-W223 AromaticContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CH2 3.87Å; W113-W223 HydrophobicContact CZ2-CZ3 4.24Å; T114-W223 HydrophobicContact CG2-CZ2 4.35Å; Y116-W223 PolarHBondContact OH-NE1 3.2Å; Q219-W223 PolarHBondContact O-N 3.37Å; Q219-W223 VanDerWaalsContact O-N 3.1Å

Retrieved 223 of 223 residues in 212.4 ms (Link to these results)