A0A077ZF19_TRITR Loading...

Methylated-DNA--protein-cysteine methyltransferase

Involved in the cellular defense against the biological effects of O6-methylguanine (O6-MeG) and O4-methylthymine (O4-MeT) in DNA. Repairs the methylated nucleobase in DNA by stoichiometrically transferring the methyl group to a cysteine residue in the enzyme. This is a suicide reaction: the enzyme is irreversibly inactivated.

AlphaFold DB , UniProt , Accession A0A077ZF19, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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
1M69.5Low91.7Very high214 Ų21484.4 Ų84.4100%1.05442%0.421SS*.  01440-160.4163.190.400109.4
2C83.6Confident92Very high26 Ų2677.8 Ų77.818%0.17639%0.389CS..  trans-81.9128.7173-63.30000108.7V4 C22 C89C2-V4 HydrophobicContact CB-CG2 4.47Å; C2-C22 HydrophobicContact CB-CB 4.04Å; C2-C89 PolarHBondContact SG-SG 3.17Å
3I88.3Confident92Very high134 Ų13473.6 Ų73.669%0.68737%0.371SS*.  trans-88.4113.9163.1-59.6173.7000104.8C22I3-C22 WeakPolarHBondContact O-CB 3.26Å
4V91.5Very high92Very high61 Ų6168.6 Ų68.637%0.3735%0.346SS..BIsolated β-bridgetrans-89.4130.4-177.3-1740000107.8C2 H20 H27C2-V4 HydrophobicContact CB-CG2 4.47Å; V4-H20 HydrophobicContact CG1-CB 3.61Å; V4-H27 WeakPolarHBondContact CG2-NE2 3.22Å
5H92.4Very high92.1Very high97 Ų9764.5 Ų64.545%0.44933%0.327SS..PPolyproline II helixtrans-77.9168.5178.5-57177.5000110.6H20 L21H5-H20 PolarHBondContact O-ND1 3.01Å; H5-H20 VanDerWaalsContact O-ND1 3.14Å; H5-L21 PolarHBondContact N-O 3.47Å
6D94.6Very high92.3Very high148 Ų14862.7 Ų62.779%0.79132%0.32SS*.PPolyproline II helixtrans-55.9148.5175.5-65.6-32.2000111.9
7E98Very high92.6Very high59 Ų5959 Ų5928%0.27630%0.301SS..PPolyproline II helixtrans-66.1133179.6-170.2177.86900111R9 L19 H20E7-R9 HydrophobicContact CG-CG 4.26Å; E7-R9 IonicContact OE1-CZ 2.6Å; E7-R9 VanDerWaalsContact OE1-CZ 3.3Å; E7-R9 IonicContact OE1-NE 3.6Å; E7-R9 PolarHBondContact OE1-NE 3.32Å; E7-R9 IonicContact OE1-NH2 3.28Å; E7-R9 PolarHBondContact OE1-NH2 3.36Å; E7-L19 WeakPolarHBondContact CA-O 3.49Å; E7-H20 VanDerWaalsContact CB-CE1 3.44Å; E7-H20 WeakPolarHBondContact CB-CE1 3.44Å; E7-H20 IonicContact OE2-NE2 3.91Å
8V98.4Very high92.9Very high9 Ų955.7 Ų55.76%0.05528%0.284CS..EExtended strand (participates in β ladder)trans-106.6130.7165.2177.20000109.3F10 L19 K52 L57 E61V8-F10 HydrophobicContact CG1-CD1 4.44Å; V8-F10 HydrophobicContact CG1-CE1 3.72Å; V8-F10 HydrophobicContact CG1-CZ 3.85Å; V8-L19 PolarHBondContact N-O 3.17Å; V8-L19 PolarHBondContact O-N 3.48Å; V8-K52 HydrophobicContact CG1-CD 4.49Å; V8-K52 HydrophobicContact CG2-CD 4.36Å; V8-L57 HydrophobicContact CG1-CD2 3.76Å; V8-E61 HydrophobicContact CG2-CG 4.28Å; V8-E61 WeakPolarHBondContact CG2-OE1 3.08Å
9R98.7Very high93.2Very high119 Ų11952.8 Ų52.845%0.44927%0.27SS..EExtended strand (participates in β ladder)trans-105.4136.9-177.4-65.6-179.8179.5178.42.1111.6E7 V16 M17 L32 Q51E7-R9 HydrophobicContact CG-CG 4.26Å; E7-R9 IonicContact OE1-CZ 2.6Å; E7-R9 VanDerWaalsContact OE1-CZ 3.3Å; E7-R9 IonicContact OE1-NE 3.6Å; E7-R9 PolarHBondContact OE1-NE 3.32Å; E7-R9 IonicContact OE1-NH2 3.28Å; E7-R9 PolarHBondContact OE1-NH2 3.36Å; R9-V16 HydrophobicContact CB-CG1 3.92Å; R9-V16 HydrophobicContact CG-CG1 4.25Å; R9-M17 WeakPolarHBondContact CA-O 3.44Å; R9-L32 HydrophobicContact CG-CD1 3.88Å; R9-Q51 HydrophobicContact CB-CB 4.12Å; R9-Q51 HydrophobicContact CB-CG 3.99Å; R9-Q51 PolarHBondContact O-N 3.36Å
10F98.3Very high93.5Very high0 Ų052.5 Ų52.50%027%0.267CS..EExtended strand (participates in β ladder)trans-117.1123.8173.7-54.3-56.3000109.5V8 T12 V16 M17 L19 V48 H49 P50 L57 V64 L65 L68V8-F10 HydrophobicContact CG1-CD1 4.44Å; V8-F10 HydrophobicContact CG1-CE1 3.72Å; V8-F10 HydrophobicContact CG1-CZ 3.85Å; F10-T12 HydrophobicContact CB-CG2 4.21Å; F10-T12 PolarHBondContact O-N 3.03Å; F10-V16 WeakPolarHBondContact O-CA 3.42Å; F10-M17 PolarHBondContact N-O 3.4Å; F10-M17 PolarHBondContact O-N 3.26Å; F10-L19 HydrophobicContact CD2-CB 4.46Å; F10-L19 HydrophobicContact CE2-CB 3.73Å; F10-L19 HydrophobicContact CE2-CD2 3.79Å; F10-L19 HydrophobicContact CE2-CG 4.37Å; F10-L19 HydrophobicContact CZ-CB 4.41Å; F10-L19 HydrophobicContact CZ-CD2 3.87Å; F10-V48 HydrophobicContact CB-CG1 4.04Å; F10-H49 CarbonylContact C-O 3.55Å; F10-H49 WeakPolarHBondContact CA-O 3.3Å; F10-P50 HydrophobicContact CD1-CB 4.02Å; F10-P50 HydrophobicContact CE1-CB 4.12Å; F10-L57 HydrophobicContact CE1-CD2 4.35Å; F10-V64 HydrophobicContact CE2-CG1 3.85Å; F10-L65 HydrophobicContact CD1-CD1 3.93Å; F10-L65 HydrophobicContact CE1-CB 3.98Å; F10-L65 HydrophobicContact CE1-CD1 4.18Å; F10-L65 HydrophobicContact CE1-CG 4.49Å; F10-L65 HydrophobicContact CZ-CB 4.22Å; F10-L68 HydrophobicContact CB-CD1 4.17Å; F10-L68 HydrophobicContact CD2-CD1 3.45Å; F10-L68 VanDerWaalsContact CD2-CD1 3.45Å; F10-L68 HydrophobicContact CE2-CD1 4.07Å; F10-L68 HydrophobicContact CG-CD1 4Å
11D95.7Very high93.6Very high61 Ų6150.2 Ų50.233%0.32626%0.255SS..EExtended strand (participates in β ladder)trans-75.5111.4166.5-68.9-50.2000107.9V16 V48 H49 Q51D11-V16 WeakPolarHBondContact OD1-CG2 3.29Å; D11-V48 WeakPolarHBondContact O-CA 2.98Å; D11-H49 PolarHBondContact N-O 3.19Å; D11-H49 PolarHBondContact O-N 3.38Å; D11-H49 VanDerWaalsContact O-N 3.09Å; D11-Q51 PolarHBondContact OD1-NE2 3.36Å; D11-Q51 WeakPolarHBondContact OD2-CG 3.44Å; D11-Q51 PolarHBondContact OD2-NE2 3.01Å
12T95.1Very high94.8Very high6 Ų640.2 Ų40.24%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-114.2161.8177.781.80000110.3F10 I14 G15 M17 V48 F72F10-T12 HydrophobicContact CB-CG2 4.21Å; F10-T12 PolarHBondContact O-N 3.03Å; T12-I14 PolarHBondContact O-N 2.8Å; T12-I14 VanDerWaalsContact O-N 3.13Å; T12-I14 WeakPolarHBondContact OG1-CG1 3.48Å; T12-I14 PolarHBondContact OG1-N 3.28Å; T12-G15 WeakPolarHBondContact CB-O 3.11Å; T12-G15 PolarHBondContact N-O 3.47Å; T12-G15 PolarHBondContact O-N 2.74Å; T12-G15 PolarHBondContact OG1-N 2.94Å; T12-G15 PolarHBondContact OG1-O 2.97Å; T12-M17 HydrophobicContact CG2-CB 4.24Å; T12-M17 HydrophobicContact CG2-CG 3.86Å; T12-M17 HydrophobicContact CG2-SD 3.9Å; T12-V48 HydrophobicContact CG2-CG1 4.02Å; T12-V48 HydrophobicContact CG2-CG2 4.46Å; T12-F72 HydrophobicContact CG2-CE2 3.99Å
13P92.2Very high95.1Very high23 Ų2345.9 Ų45.915%0.14923%0.228CC..THydrogen-bonded Turntrans-52-38175.9-30.538.2000113.2R40 C41 V44 F72P13-R40 PolarHBondContact O-NH1 3.07Å; P13-C41 PolarHBondContact O-SG 3.37Å; P13-V44 WeakPolarHBondContact CB-O 3.47Å; P13-V44 WeakPolarHBondContact CG-O 3.36Å; P13-F72 HydrophobicContact CB-CD1 4.31Å; P13-F72 HydrophobicContact CG-CB 4.08Å; P13-F72 HydrophobicContact CG-CD1 3.92Å; P13-F72 HydrophobicContact CG-CG 3.97Å
14I92.4Very high95.3Very high4 Ų441.9 Ų41.92%0.02121%0.208CC..THydrogen-bonded Turntrans-82.9-10.3-177.161.3172000114.1T12 M17 F31 F33 F36 V44 F72 L172 L176T12-I14 PolarHBondContact O-N 2.8Å; T12-I14 VanDerWaalsContact O-N 3.13Å; T12-I14 WeakPolarHBondContact OG1-CG1 3.48Å; T12-I14 PolarHBondContact OG1-N 3.28Å; I14-M17 HydrophobicContact CD1-SD 4.29Å; I14-F31 HydrophobicContact CD1-CD1 4.14Å; I14-F31 HydrophobicContact CD1-CE1 3.49Å; I14-F31 VanDerWaalsContact CD1-CE1 3.49Å; I14-F31 HydrophobicContact CD1-CZ 4.31Å; I14-F33 HydrophobicContact CG1-CZ 4.39Å; I14-F33 WeakPolarHBondContact O-CZ 3.22Å; I14-F36 HydrophobicContact CB-CE2 4.15Å; I14-F36 HydrophobicContact CG2-CE2 4.15Å; I14-V44 HydrophobicContact CG2-CG1 3.95Å; I14-V44 HydrophobicContact CG2-CG2 4.22Å; I14-F72 HydrophobicContact CD1-CE1 4.27Å; I14-F72 HydrophobicContact CD1-CZ 3.77Å; I14-F72 HydrophobicContact CG1-CE1 4.13Å; I14-F72 HydrophobicContact CG1-CZ 3.76Å; I14-F72 HydrophobicContact CG2-CE1 3.93Å; I14-F72 HydrophobicContact CG2-CZ 4.43Å; I14-L172 HydrophobicContact CB-CD1 3.8Å; I14-L172 HydrophobicContact CD1-CD1 4.08Å; I14-L172 HydrophobicContact CD1-CD2 4.39Å; I14-L172 HydrophobicContact CG2-CD1 3.68Å; I14-L176 HydrophobicContact CD1-CD2 4.48Å; I14-L176 HydrophobicContact CG2-CD2 4.47Å
15G92.4Very high95.4Very high6 Ų639 Ų396%0.06219%0.191CC..EExtended strand (participates in β ladder)trans137.2176.3-174.800000112.9T12 M17 F33 R40T12-G15 WeakPolarHBondContact CB-O 3.11Å; T12-G15 PolarHBondContact N-O 3.47Å; T12-G15 PolarHBondContact O-N 2.74Å; T12-G15 PolarHBondContact OG1-N 2.94Å; T12-G15 PolarHBondContact OG1-O 2.97Å; G15-M17 PolarHBondContact O-N 3.17Å; G15-F33 VanDerWaalsContact CA-CE1 3.48Å; G15-R40 VanDerWaalsContact CA-NH1 3.27Å; G15-R40 VanDerWaalsContact N-NH1 3.17Å
16V95.3Very high95.6Very high36 Ų3634.6 Ų34.622%0.21817%0.171CC..EExtended strand (participates in β ladder)trans-72.3130.5177.1-171.40000109.4R9 F10 D11 L32 F33R9-V16 HydrophobicContact CB-CG1 3.92Å; R9-V16 HydrophobicContact CG-CG1 4.25Å; F10-V16 WeakPolarHBondContact O-CA 3.42Å; D11-V16 WeakPolarHBondContact OD1-CG2 3.29Å; V16-L32 HydrophobicContact CB-CB 4.36Å; V16-L32 HydrophobicContact CG1-CD1 4.07Å; V16-L32 PolarHBondContact O-N 3.01Å; V16-F33 WeakPolarHBondContact O-CD1 3.48Å
17M97.8Very high95.7Very high0 Ų028.6 Ų28.60%014%0.138CC..EExtended strand (participates in β ladder)trans-111.1135.5172.3-63.4-17372.400110.3R9 F10 T12 I14 G15 L29 N30 F31 L68 L147R9-M17 WeakPolarHBondContact CA-O 3.44Å; F10-M17 PolarHBondContact N-O 3.4Å; F10-M17 PolarHBondContact O-N 3.26Å; T12-M17 HydrophobicContact CG2-CB 4.24Å; T12-M17 HydrophobicContact CG2-CG 3.86Å; T12-M17 HydrophobicContact CG2-SD 3.9Å; I14-M17 HydrophobicContact CD1-SD 4.29Å; G15-M17 PolarHBondContact O-N 3.17Å; M17-L29 HydrophobicContact CB-CD1 4.1Å; M17-L29 HydrophobicContact CE-CD1 4.11Å; M17-L29 HydrophobicContact CE-CD2 3.93Å; M17-L29 HydrophobicContact CE-CG 3.75Å; M17-N30 CarbonylContact C-O 3.53Å; M17-N30 VanDerWaalsContact CA-O 3.26Å; M17-N30 WeakPolarHBondContact CA-O 3.46Å; M17-F31 HydrophobicContact CE-CD1 3.93Å; M17-F31 HydrophobicContact CE-CE1 3.62Å; M17-F31 HydrophobicContact CE-CZ 4.5Å; M17-F31 HydrophobicContact CG-CD1 4.03Å; M17-F31 HydrophobicContact CG-CE1 4.43Å; M17-F31 HydrophobicContact SD-CD1 4.22Å; M17-F31 HydrophobicContact SD-CE1 4.01Å; M17-L68 HydrophobicContact SD-CD2 4.2Å; M17-L147 HydrophobicContact CE-CB 4.01Å; M17-L147 HydrophobicContact CE-CD2 4.21Å; M17-L147 HydrophobicContact SD-CD2 4.02Å
18G98.5Very high95.6Very high0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-104.7121179.300000111L29 N30G18-L29 VanDerWaalsContact O-CA 3.31Å; G18-L29 WeakPolarHBondContact O-CA 3.36Å; G18-N30 PolarHBondContact N-O 3.37Å; G18-N30 PolarHBondContact O-N 3.41Å
19L98.7Very high95.5Very high1 Ų126 Ų261%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-99.7132.2174.6173.367000109.7E7 V8 F10 L21 V26 L29 E61 V64E7-L19 WeakPolarHBondContact CA-O 3.49Å; V8-L19 PolarHBondContact N-O 3.17Å; V8-L19 PolarHBondContact O-N 3.48Å; F10-L19 HydrophobicContact CD2-CB 4.46Å; F10-L19 HydrophobicContact CE2-CB 3.73Å; F10-L19 HydrophobicContact CE2-CD2 3.79Å; F10-L19 HydrophobicContact CE2-CG 4.37Å; F10-L19 HydrophobicContact CZ-CB 4.41Å; F10-L19 HydrophobicContact CZ-CD2 3.87Å; L19-L21 HydrophobicContact CD1-CD2 3.95Å; L19-L21 HydrophobicContact CD2-CD2 4.17Å; L19-L21 HydrophobicContact CD2-CG 4.37Å; L19-L21 HydrophobicContact CG-CD2 4.18Å; L19-L21 HydrophobicContact CG-CG 4.42Å; L19-V26 HydrophobicContact CD1-CG1 3.79Å; L19-V26 HydrophobicContact CD1-CG2 4.42Å; L19-L29 HydrophobicContact CB-CD1 4.16Å; L19-E61 HydrophobicContact CD2-CB 4.22Å; L19-E61 HydrophobicContact CD2-CG 4.09Å; L19-V64 HydrophobicContact CD1-CG1 4.25Å; L19-V64 HydrophobicContact CD1-CG2 4.13Å; L19-V64 HydrophobicContact CD2-CB 3.97Å; L19-V64 HydrophobicContact CD2-CG1 4.09Å; L19-V64 HydrophobicContact CD2-CG2 4.09Å
20H97.9Very high95.4Very high45 Ų4523 Ų2321%0.20812%0.12CC..EExtended strand (participates in β ladder)trans-118.8136.8162.8-70.2-86.6000110.6V4 H5 E7 H27 S28V4-H20 HydrophobicContact CG1-CB 3.61Å; H5-H20 PolarHBondContact O-ND1 3.01Å; H5-H20 VanDerWaalsContact O-ND1 3.14Å; E7-H20 VanDerWaalsContact CB-CE1 3.44Å; E7-H20 WeakPolarHBondContact CB-CE1 3.44Å; E7-H20 IonicContact OE2-NE2 3.91Å; H20-H27 HydrophobicContact CB-CB 4.34Å; H20-H27 WeakPolarHBondContact O-CA 3.32Å; H20-H27 WeakPolarHBondContact O-CB 3.26Å; H20-H27 PolarHBondContact O-N 3.05Å; H20-S28 PolarHBondContact CD2-OG 2.9Å; H20-S28 PolarHBondContact N-O 3.09Å; H20-S28 PolarHBondContact O-N 3.22Å
21L96.7Very high95.3Very high6 Ų624.1 Ų24.13%0.03113%0.125CC..EExtended strand (participates in β ladder)trans-106.1157.3172.5-63-172.5000111.3H5 L19 V26 V58 D60 E61H5-L21 PolarHBondContact N-O 3.47Å; L19-L21 HydrophobicContact CD1-CD2 3.95Å; L19-L21 HydrophobicContact CD2-CD2 4.17Å; L19-L21 HydrophobicContact CD2-CG 4.37Å; L19-L21 HydrophobicContact CG-CD2 4.18Å; L19-L21 HydrophobicContact CG-CG 4.42Å; L21-V26 HydrophobicContact CD2-CB 4.48Å; L21-V26 HydrophobicContact CD2-CG2 4.12Å; L21-V58 HydrophobicContact CD1-CG2 3.95Å; L21-D60 HydrophobicContact CD1-CB 3.58Å; L21-D60 HydrophobicContact CD2-CB 4.38Å; L21-E61 HydrophobicContact CD1-CG 3.52Å; L21-E61 HydrophobicContact CG-CG 4.27Å
22C93.8Very high95.2Very high4 Ų424.5 Ų24.53%0.02713%0.126CC..EExtended strand (participates in β ladder)trans-141.8-179.7161.977.60000109.4C2 I3 N24 G25 H27C2-C22 HydrophobicContact CB-CB 4.04Å; I3-C22 WeakPolarHBondContact O-CB 3.26Å; C22-N24 PolarHBondContact O-N 3.04Å; C22-N24 PolarHBondContact SG-N 3.5Å; C22-N24 VanDerWaalsContact SG-N 3.41Å; C22-G25 PolarHBondContact N-O 2.88Å; C22-G25 PolarHBondContact O-N 3Å; C22-H27 HydrophobicContact CB-CB 4.16Å
23K91.4Very high95Very high144 Ų14425.7 Ų25.763%0.62613%0.131SC*.THydrogen-bonded Turntrans-53-25.1177.668.1176.7-173.1173.90115.1R87K23-R87 PolarHBondContact O-NH1 2.83Å
24N91.5Very high94.7Very high51 Ų5130.3 Ų30.327%0.27315%0.154SC..THydrogen-bonded Turntrans-90.86.2179.8-62.3-24.9000113.5C22 C89C22-N24 PolarHBondContact O-N 3.04Å; C22-N24 PolarHBondContact SG-N 3.5Å; C22-N24 VanDerWaalsContact SG-N 3.41Å; N24-C89 HydrophobicContact CB-CB 4Å
25G93.7Very high94.3Very high1 Ų134.7 Ų34.71%0.0119%0.185CC..EExtended strand (participates in β ladder)trans104.5-146.8-178.600000112.5C22 H27 R87C22-G25 PolarHBondContact N-O 2.88Å; C22-G25 PolarHBondContact O-N 3Å; G25-H27 PolarHBondContact O-N 3.21Å; G25-H27 VanDerWaalsContact O-N 3.08Å; G25-R87 CarbonylContact C-O 3.52Å; G25-R87 WeakPolarHBondContact CA-O 3.09Å
26V96.7Very high93.8Very high4 Ų435.6 Ų35.62%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-59.6113.1179-178.20000109.5L19 L21 V64 R87 F88 C89 V145L19-V26 HydrophobicContact CD1-CG1 3.79Å; L19-V26 HydrophobicContact CD1-CG2 4.42Å; L21-V26 HydrophobicContact CD2-CB 4.48Å; L21-V26 HydrophobicContact CD2-CG2 4.12Å; V26-V64 HydrophobicContact CG2-CG2 3.7Å; V26-R87 PolarHBondContact N-O 3.31Å; V26-F88 HydrophobicContact CB-CD1 3.92Å; V26-F88 HydrophobicContact CB-CE1 4.29Å; V26-F88 HydrophobicContact CG1-CD1 4.38Å; V26-F88 HydrophobicContact CG2-CD1 4.38Å; V26-F88 HydrophobicContact CG2-CE1 4.33Å; V26-C89 WeakPolarHBondContact O-CB 3.44Å; V26-C89 PolarHBondContact O-N 3.45Å; V26-V145 HydrophobicContact CG1-CG1 3.8Å; V26-V145 HydrophobicContact CG1-CG2 3.95Å
27H95.8Very high93Very high22 Ų2237.9 Ų37.910%0.10220%0.198CC..EExtended strand (participates in β ladder)trans-85-45.4-180-173.178.7000110.9V4 H20 C22 G25 N96V4-H27 WeakPolarHBondContact CG2-NE2 3.22Å; H20-H27 HydrophobicContact CB-CB 4.34Å; H20-H27 WeakPolarHBondContact O-CA 3.32Å; H20-H27 WeakPolarHBondContact O-CB 3.26Å; H20-H27 PolarHBondContact O-N 3.05Å; C22-H27 HydrophobicContact CB-CB 4.16Å; G25-H27 PolarHBondContact O-N 3.21Å; G25-H27 VanDerWaalsContact O-N 3.08Å; H27-N96 PolarHBondContact CE1-OD1 3.15Å; H27-N96 PolarHBondContact NE2-OD1 2.87Å; H27-N96 PolarHBondContact O-ND2 2.97Å
28S96.3Very high91.6Very high13 Ų1341 Ų419%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-155.3155.1171.761.80000111.8H20 N30 P144H20-S28 PolarHBondContact CD2-OG 2.9Å; H20-S28 PolarHBondContact N-O 3.09Å; H20-S28 PolarHBondContact O-N 3.22Å; S28-N30 PolarHBondContact OG-ND2 3.41Å; S28-P144 CarbonylContact C-O 3.05Å; S28-P144 WeakPolarHBondContact CA-O 3.44Å; S28-P144 VanDerWaalsContact CB-O 3.29Å; S28-P144 WeakPolarHBondContact CB-O 3.41Å
29L97.7Very high90.3Very high0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-140.6114.9169.4177.764.2000107.6M17 G18 L19 V64 L68 P144 V145 T146 I148M17-L29 HydrophobicContact CB-CD1 4.1Å; M17-L29 HydrophobicContact CE-CD1 4.11Å; M17-L29 HydrophobicContact CE-CD2 3.93Å; M17-L29 HydrophobicContact CE-CG 3.75Å; G18-L29 VanDerWaalsContact O-CA 3.31Å; G18-L29 WeakPolarHBondContact O-CA 3.36Å; L19-L29 HydrophobicContact CB-CD1 4.16Å; L29-V64 HydrophobicContact CD2-CG1 4.4Å; L29-L68 HydrophobicContact CD2-CD2 4.4Å; L29-P144 PolarHBondContact N-O 3.35Å; L29-V145 HydrophobicContact CB-CG1 3.82Å; L29-T146 WeakPolarHBondContact CD2-O 3.44Å; L29-T146 WeakPolarHBondContact O-CB 3.43Å; L29-T146 PolarHBondContact O-N 3.46Å; L29-T146 PolarHBondContact O-OG1 3.32Å; L29-I148 HydrophobicContact CD2-CD1 3.5Å; L29-I148 HydrophobicContact CD2-CG1 3.84Å
30N96.1Very high88.6Confident57 Ų5753.3 Ų53.331%0.30527%0.274SS..EExtended strand (participates in β ladder)trans-131.6151.4-169.7-59.1-60.2000112.2M17 G18 S28 L32M17-N30 CarbonylContact C-O 3.53Å; M17-N30 VanDerWaalsContact CA-O 3.26Å; M17-N30 WeakPolarHBondContact CA-O 3.46Å; G18-N30 PolarHBondContact N-O 3.37Å; G18-N30 PolarHBondContact O-N 3.41Å; S28-N30 PolarHBondContact OG-ND2 3.41Å; N30-L32 PolarHBondContact O-N 3.08Å
31F94.8Very high86.5Confident23 Ų2351.4 Ų51.410%0.10127%0.265CS..EExtended strand (participates in β ladder)trans-69.4123.9164.9-54-53.8000109.8I14 M17 F33 T146 Y164 L169 L172I14-F31 HydrophobicContact CD1-CD1 4.14Å; I14-F31 HydrophobicContact CD1-CE1 3.49Å; I14-F31 VanDerWaalsContact CD1-CE1 3.49Å; I14-F31 HydrophobicContact CD1-CZ 4.31Å; M17-F31 HydrophobicContact CE-CD1 3.93Å; M17-F31 HydrophobicContact CE-CE1 3.62Å; M17-F31 HydrophobicContact CE-CZ 4.5Å; M17-F31 HydrophobicContact CG-CD1 4.03Å; M17-F31 HydrophobicContact CG-CE1 4.43Å; M17-F31 HydrophobicContact SD-CD1 4.22Å; M17-F31 HydrophobicContact SD-CE1 4.01Å; F31-F33 HydrophobicContact CB-CD1 3.89Å; F31-F33 HydrophobicContact CB-CD2 4.42Å; F31-F33 HydrophobicContact CB-CE1 3.54Å; F31-F33 HydrophobicContact CB-CE2 4.12Å; F31-F33 HydrophobicContact CB-CG 4.33Å; F31-F33 HydrophobicContact CB-CZ 3.67Å; F31-F33 AromaticContact CD1-CE1 3.64Å; F31-F33 HydrophobicContact CD1-CE1 3.64Å; F31-F33 HydrophobicContact CD1-CE2 4.47Å; F31-F33 AromaticContact CD1-CZ 3.47Å; F31-F33 HydrophobicContact CD1-CZ 3.47Å; F31-F33 VanDerWaalsContact CD1-CZ 3.47Å; F31-F33 HydrophobicContact CE1-CZ 4.32Å; F31-F33 AromaticContact CG-CE1 3.9Å; F31-F33 HydrophobicContact CG-CE1 3.9Å; F31-F33 HydrophobicContact CG-CE2 4.28Å; F31-F33 AromaticContact CG-CZ 3.66Å; F31-F33 HydrophobicContact CG-CZ 3.66Å; F31-F33 PolarHBondContact O-N 3.02Å; F31-T146 HydrophobicContact CE2-CG2 4.36Å; F31-Y164 HydrophobicContact CD2-CE1 4.48Å; F31-Y164 AromaticContact CE2-CE1 3.51Å; F31-Y164 HydrophobicContact CE2-CE1 3.51Å; F31-Y164 AromaticContact CE2-CZ 3.75Å; F31-Y164 WeakPolarHBondContact CE2-OH 3.39Å; F31-Y164 HydrophobicContact CZ-CE1 4.08Å; F31-Y164 WeakPolarHBondContact CZ-OH 3.38Å; F31-L169 HydrophobicContact CB-CD1 4.22Å; F31-L169 HydrophobicContact CD2-CD1 3.57Å; F31-L169 HydrophobicContact CE2-CD1 4.28Å; F31-L169 HydrophobicContact CG-CD1 4.12Å; F31-L172 HydrophobicContact CD1-CD2 4.42Å; F31-L172 HydrophobicContact CD2-CD2 4.28Å; F31-L172 HydrophobicContact CE1-CD2 4.12Å; F31-L172 HydrophobicContact CE2-CD2 3.96Å; F31-L172 HydrophobicContact CZ-CD2 3.87Å
32L94.6Very high84.6Confident68 Ų6859.2 Ų59.236%0.35630%0.299SS..SBendtrans-91.234.2174.9-56.3-174.5000111.6R9 V16 N30R9-L32 HydrophobicContact CG-CD1 3.88Å; V16-L32 HydrophobicContact CB-CB 4.36Å; V16-L32 HydrophobicContact CG1-CD1 4.07Å; V16-L32 PolarHBondContact O-N 3.01Å; N30-L32 PolarHBondContact O-N 3.08Å
33F91.4Very high83.1Confident32 Ų3264.8 Ų64.814%0.1433%0.325CS..  trans-145149.4-179.756.5-90.4000110.2I14 G15 V16 F31 S35 L169 L172I14-F33 HydrophobicContact CG1-CZ 4.39Å; I14-F33 WeakPolarHBondContact O-CZ 3.22Å; G15-F33 VanDerWaalsContact CA-CE1 3.48Å; V16-F33 WeakPolarHBondContact O-CD1 3.48Å; F31-F33 HydrophobicContact CB-CD1 3.89Å; F31-F33 HydrophobicContact CB-CD2 4.42Å; F31-F33 HydrophobicContact CB-CE1 3.54Å; F31-F33 HydrophobicContact CB-CE2 4.12Å; F31-F33 HydrophobicContact CB-CG 4.33Å; F31-F33 HydrophobicContact CB-CZ 3.67Å; F31-F33 AromaticContact CD1-CE1 3.64Å; F31-F33 HydrophobicContact CD1-CE1 3.64Å; F31-F33 HydrophobicContact CD1-CE2 4.47Å; F31-F33 AromaticContact CD1-CZ 3.47Å; F31-F33 HydrophobicContact CD1-CZ 3.47Å; F31-F33 VanDerWaalsContact CD1-CZ 3.47Å; F31-F33 HydrophobicContact CE1-CZ 4.32Å; F31-F33 AromaticContact CG-CE1 3.9Å; F31-F33 HydrophobicContact CG-CE1 3.9Å; F31-F33 HydrophobicContact CG-CE2 4.28Å; F31-F33 AromaticContact CG-CZ 3.66Å; F31-F33 HydrophobicContact CG-CZ 3.66Å; F31-F33 PolarHBondContact O-N 3.02Å; F33-S35 WeakPolarHBondContact CD2-O 3.49Å; F33-L169 HydrophobicContact CD2-CD1 4.48Å; F33-L169 HydrophobicContact CD2-CD2 3.99Å; F33-L169 HydrophobicContact CE2-CD1 4.08Å; F33-L169 HydrophobicContact CE2-CD2 3.92Å; F33-L172 HydrophobicContact CE2-CD2 3.98Å; F33-L172 HydrophobicContact CZ-CD2 4Å
34N85.3Confident82.4Confident119 Ų11958 Ų5864%0.63630%0.296SS*.SBendtrans-112.5-2.9-176-76.3-47.4000113.6K168N34-K168 HydrophobicContact CB-CD 4.46Å
35S83.5Confident82.1Confident97 Ų9757.6 Ų57.668%0.67830%0.299SS*.  trans-136.3143.7173.953.10000108.5F33F33-S35 WeakPolarHBondContact CD2-O 3.49Å
36F82.6Confident81.7Confident25 Ų2559 Ų5911%0.1131%0.314CS..  trans-112124.8174.6174.4-109.8000108.3I14 P38 C41 L169 E171 L172 T175I14-F36 HydrophobicContact CB-CE2 4.15Å; I14-F36 HydrophobicContact CG2-CE2 4.15Å; F36-P38 HydrophobicContact CE1-CB 4.34Å; F36-P38 WeakPolarHBondContact O-CD 3.46Å; F36-C41 HydrophobicContact CE2-CB 3.82Å; F36-C41 HydrophobicContact CZ-CB 3.58Å; F36-L169 HydrophobicContact CB-CD2 4.03Å; F36-E171 HydrophobicContact CD1-CB 4.22Å; F36-L172 HydrophobicContact CB-CB 3.98Å; F36-L172 HydrophobicContact CD1-CB 3.92Å; F36-L172 HydrophobicContact CD2-CB 4.15Å; F36-L172 HydrophobicContact CD2-CD1 3.82Å; F36-L172 HydrophobicContact CD2-CG 4.45Å; F36-L172 HydrophobicContact CE1-CB 4.44Å; F36-L172 HydrophobicContact CE2-CD1 3.71Å; F36-L172 HydrophobicContact CG-CB 3.75Å; F36-L172 HydrophobicContact CG-CD1 4.28Å; F36-L172 HydrophobicContact CZ-CD1 4.07Å; F36-T175 HydrophobicContact CE1-CG2 4.32Å; F36-T175 WeakPolarHBondContact CE1-OG1 3.18Å; F36-T175 HydrophobicContact CZ-CG2 4.13Å
37D78.2Confident81.5Confident83 Ų8365.3 Ų65.344%0.44434%0.343SS..  trans-86.8110.1172.2177.73.3000108.8D39 R40D37-D39 PolarHBondContact O-N 2.99Å; D37-D39 WeakPolarHBondContact OD1-CB 3.26Å; D37-D39 PolarHBondContact OD1-N 3.27Å; D37-R40 HydrophobicContact CB-CB 3.92Å; D37-R40 WeakPolarHBondContact O-CB 3.31Å; D37-R40 PolarHBondContact O-N 3.48Å
38P69.2Low81.5Confident66 Ų6664.3 Ų64.343%0.42934%0.338SS..SBendtrans-64.9-24.3179.127.9-34.2000112.8F36 C41F36-P38 HydrophobicContact CE1-CB 4.34Å; F36-P38 WeakPolarHBondContact O-CD 3.46Å; P38-C41 PolarHBondContact O-N 3.4Å
39D69.7Low81.6Confident111 Ų11167.9 Ų67.959%0.59435%0.353SS*.G310 helixtrans-75.7-27.4177.5-76.8-45.7000112.2D37 C41 K42D37-D39 PolarHBondContact O-N 2.99Å; D37-D39 WeakPolarHBondContact OD1-CB 3.26Å; D37-D39 PolarHBondContact OD1-N 3.27Å; D39-C41 PolarHBondContact O-N 3.02Å; D39-C41 VanDerWaalsContact O-N 3.15Å; D39-K42 WeakPolarHBondContact OD1-CE 3.34Å; D39-K42 IonicContact OD1-NZ 3.51Å
40R63Low81.6Confident148 Ų14868.8 Ų68.856%0.55836%0.359SS*.G310 helixtrans-61.3-21.2173.5-162.4175-169.3-110.93.9112.8P13 G15 D37P13-R40 PolarHBondContact O-NH1 3.07Å; G15-R40 VanDerWaalsContact CA-NH1 3.27Å; G15-R40 VanDerWaalsContact N-NH1 3.17Å; D37-R40 HydrophobicContact CB-CB 3.92Å; D37-R40 WeakPolarHBondContact O-CB 3.31Å; D37-R40 PolarHBondContact O-N 3.48Å
41C55.7Low81.7Confident5 Ų570.7 Ų70.73%0.03437%0.366CS..G310 helixtrans-140.337-164.1-107.30000113.8P13 F36 P38 D39 E43 V44P13-C41 PolarHBondContact O-SG 3.37Å; F36-C41 HydrophobicContact CE2-CB 3.82Å; F36-C41 HydrophobicContact CZ-CB 3.58Å; P38-C41 PolarHBondContact O-N 3.4Å; D39-C41 PolarHBondContact O-N 3.02Å; D39-C41 VanDerWaalsContact O-N 3.15Å; C41-E43 PolarHBondContact O-N 2.73Å; C41-V44 HydrophobicContact CB-CG2 4.1Å; C41-V44 PolarHBondContact O-N 2.89Å
42K54.9Low81.8Confident170 Ų17073.1 Ų73.174%0.73938%0.377SS*.SBendtrans-49.3-24.1173.7-74.3-174.8-179.61710113.3D39D39-K42 WeakPolarHBondContact OD1-CE 3.34Å; D39-K42 IonicContact OD1-NZ 3.51Å
43E64Low81.9Confident122 Ų12276.6 Ų76.657%0.5739%0.389SS*.SBendtrans-110-18.6173.1-56.8-156.5173.600115.6C41 A45 F179 R182C41-E43 PolarHBondContact O-N 2.73Å; E43-A45 HydrophobicContact CB-CB 4.09Å; E43-A45 PolarHBondContact O-N 3.48Å; E43-F179 WeakPolarHBondContact O-CD2 3.32Å; E43-R182 PolarHBondContact O-NH2 2.93Å
44V76.7Confident82.1Confident2 Ų278.8 Ų78.81%0.01240%0.4CS..  trans53.6-18.2-162.8174.60000113.9P13 I14 C41 F72 T175 L176 F179P13-V44 WeakPolarHBondContact CB-O 3.47Å; P13-V44 WeakPolarHBondContact CG-O 3.36Å; I14-V44 HydrophobicContact CG2-CG1 3.95Å; I14-V44 HydrophobicContact CG2-CG2 4.22Å; C41-V44 HydrophobicContact CB-CG2 4.1Å; C41-V44 PolarHBondContact O-N 2.89Å; V44-F72 HydrophobicContact CG1-CD1 3.72Å; V44-F72 HydrophobicContact CG1-CE1 3.66Å; V44-F72 WeakPolarHBondContact O-CD1 3.37Å; V44-T175 HydrophobicContact CG2-CG2 3.29Å; V44-L176 HydrophobicContact CG1-CD2 4.25Å; V44-F179 HydrophobicContact CB-CB 3.94Å; V44-F179 HydrophobicContact CB-CD1 4.28Å; V44-F179 HydrophobicContact CB-CD2 3.69Å; V44-F179 HydrophobicContact CB-CE2 4.21Å; V44-F179 HydrophobicContact CB-CG 3.71Å; V44-F179 HydrophobicContact CG1-CB 4.11Å; V44-F179 HydrophobicContact CG1-CD1 3.67Å; V44-F179 HydrophobicContact CG1-CD2 3.95Å; V44-F179 HydrophobicContact CG1-CE1 3.99Å; V44-F179 HydrophobicContact CG1-CE2 4.25Å; V44-F179 HydrophobicContact CG1-CG 3.63Å; V44-F179 HydrophobicContact CG1-CZ 4.25Å; V44-F179 HydrophobicContact CG2-CB 4.27Å
45A83.8Confident82.7Confident42 Ų4280.3 Ų80.335%0.34740%0.403SS..  trans-72.5141177.100000111E43 F72 F179E43-A45 HydrophobicContact CB-CB 4.09Å; E43-A45 PolarHBondContact O-N 3.48Å; A45-F72 VanDerWaalsContact CA-O 3.25Å; A45-F72 WeakPolarHBondContact CA-O 3.45Å; A45-F179 HydrophobicContact CB-CE2 4.07Å
46G86.4Confident83.3Confident31 Ų3182 Ų8232%0.3240%0.402SS..  trans161.9177.1177.400000111.6F72G46-F72 PolarHBondContact N-O 3.15Å; G46-F72 WeakPolarHBondContact O-CB 3.44Å
47E92.3Very high84Confident135 Ų13581.7 Ų81.763%0.63140%0.401SS*.  trans-75.4153.4179.3-60.8176.7176.600111.3H49E47-H49 WeakPolarHBondContact CB-NE2 3.38Å; E47-H49 IonicContact OE2-CE1 2.71Å; E47-H49 PolarHBondContact OE2-CE1 3.27Å; E47-H49 VanDerWaalsContact OE2-CE1 3.3Å; E47-H49 IonicContact OE2-NE2 2.86Å; E47-H49 PolarHBondContact OE2-NE2 3.47Å
48V96.5Very high84.9Confident1 Ų181.6 Ų81.61%0.00640%0.403CS..  trans-118.7128.7171.2-177.60000109.1F10 D11 T12 L65 L68 R69 F72F10-V48 HydrophobicContact CB-CG1 4.04Å; D11-V48 WeakPolarHBondContact O-CA 2.98Å; T12-V48 HydrophobicContact CG2-CG1 4.02Å; T12-V48 HydrophobicContact CG2-CG2 4.46Å; V48-L65 HydrophobicContact CB-CD1 4.33Å; V48-L65 HydrophobicContact CG1-CD1 3.72Å; V48-L68 HydrophobicContact CG1-CB 4.13Å; V48-L68 HydrophobicContact CG2-CB 4.24Å; V48-R69 HydrophobicContact CB-CG 3.88Å; V48-R69 PolarHBondContact O-NE 2.86Å; V48-F72 HydrophobicContact CG2-CB 4.14Å; V48-F72 HydrophobicContact CG2-CD2 3.42Å; V48-F72 VanDerWaalsContact CG2-CD2 3.42Å; V48-F72 HydrophobicContact CG2-CE2 4.2Å; V48-F72 HydrophobicContact CG2-CG 4.14Å
49H97.6Very high86.1Confident88 Ų8882 Ų8241%0.40741%0.412SS..EExtended strand (participates in β ladder)trans-123.9134.4-177.2-64.9-65000111.1F10 D11 E47F10-H49 CarbonylContact C-O 3.55Å; F10-H49 WeakPolarHBondContact CA-O 3.3Å; D11-H49 PolarHBondContact N-O 3.19Å; D11-H49 PolarHBondContact O-N 3.38Å; D11-H49 VanDerWaalsContact O-N 3.09Å; E47-H49 WeakPolarHBondContact CB-NE2 3.38Å; E47-H49 IonicContact OE2-CE1 2.71Å; E47-H49 PolarHBondContact OE2-CE1 3.27Å; E47-H49 VanDerWaalsContact OE2-CE1 3.3Å; E47-H49 IonicContact OE2-NE2 2.86Å; E47-H49 PolarHBondContact OE2-NE2 3.47Å
50P98.2Very high87.4Confident20 Ų2079.3 Ų79.313%0.1340%0.398CS..EExtended strand (participates in β ladder)trans-71.7141167.631.8-33.5000110.4F10 K52 E54 L57 L65F10-P50 HydrophobicContact CD1-CB 4.02Å; F10-P50 HydrophobicContact CE1-CB 4.12Å; P50-K52 CarbonylContact C-O 3.59Å; P50-K52 WeakPolarHBondContact CB-O 3.2Å; P50-K52 WeakPolarHBondContact CG-O 3.32Å; P50-K52 PolarHBondContact O-N 3.45Å; P50-E54 HydrophobicContact CG-CB 4.19Å; P50-L57 HydrophobicContact CB-CD1 4.14Å; P50-L57 HydrophobicContact CB-CD2 4.43Å; P50-L57 HydrophobicContact CG-CD1 4.16Å; P50-L65 HydrophobicContact CB-CD2 4.33Å; P50-L65 HydrophobicContact CG-CD2 3.89Å
51Q97.9Very high89Confident96 Ų9672.9 Ų72.945%0.44937%0.374SS..SBendtrans-73.3-18175.6-72-171.3-15.700112.8R9 D11R9-Q51 HydrophobicContact CB-CB 4.12Å; R9-Q51 HydrophobicContact CB-CG 3.99Å; R9-Q51 PolarHBondContact O-N 3.36Å; D11-Q51 PolarHBondContact OD1-NE2 3.36Å; D11-Q51 WeakPolarHBondContact OD2-CG 3.44Å; D11-Q51 PolarHBondContact OD2-NE2 3.01Å
52K95.5Very high91Very high74 Ų7475.4 Ų75.432%0.32239%0.387SS..SBendtrans-99.9160.516768.7175.9-175.5173.40110.1V8 P50 E54 M56 L57 E61V8-K52 HydrophobicContact CG1-CD 4.49Å; V8-K52 HydrophobicContact CG2-CD 4.36Å; P50-K52 CarbonylContact C-O 3.59Å; P50-K52 WeakPolarHBondContact CB-O 3.2Å; P50-K52 WeakPolarHBondContact CG-O 3.32Å; P50-K52 PolarHBondContact O-N 3.45Å; K52-E54 PolarHBondContact O-N 3.22Å; K52-M56 PolarHBondContact NZ-O 2.7Å; K52-M56 VanDerWaalsContact NZ-O 3.13Å; K52-L57 HydrophobicContact CD-CD2 4.28Å; K52-L57 HydrophobicContact CG-CD2 4.2Å; K52-E61 WeakPolarHBondContact CE-OE2 3.42Å; K52-E61 IonicContact NZ-OE1 3.47Å; K52-E61 PolarHBondContact NZ-OE1 2.67Å; K52-E61 IonicContact NZ-OE2 3.4Å; K52-E61 PolarHBondContact NZ-OE2 3.29Å
53K96.8Very high93.1Very high142 Ų14268.7 Ų68.762%0.61736%0.361SS*.  trans-55.2133.5175.3-63.9-172.5175.6-170.80110.9E55 M56K53-E55 VanDerWaalsContact C-N 3.26Å; K53-E55 HydrophobicContact CB-CG 4.03Å; K53-E55 WeakPolarHBondContact CD-OE1 3.28Å; K53-E55 PolarHBondContact O-N 3.31Å; K53-M56 HydrophobicContact CB-CG 4.06Å; K53-M56 WeakPolarHBondContact O-CB 3.46Å; K53-M56 PolarHBondContact O-N 2.94Å
54E97.4Very high94.7Very high77 Ų7762.9 Ų62.936%0.3633%0.333SS..G310 helixtrans-61.2-35.7-176.7-175.6160.8163.400112.2P50 K52 M56 L57 L62 L65 R69P50-E54 HydrophobicContact CG-CB 4.19Å; K52-E54 PolarHBondContact O-N 3.22Å; E54-M56 PolarHBondContact O-N 2.85Å; E54-L57 HydrophobicContact CB-CD1 4.46Å; E54-L57 HydrophobicContact CG-CD1 4.02Å; E54-L57 WeakPolarHBondContact O-CB 3.44Å; E54-L57 PolarHBondContact O-N 3.28Å; E54-L62 HydrophobicContact CG-CD1 4.23Å; E54-L65 HydrophobicContact CG-CD2 4.39Å; E54-R69 VanDerWaalsContact CD-NH1 3.34Å; E54-R69 IonicContact OE1-CZ 2.86Å; E54-R69 IonicContact OE1-NH1 2.77Å; E54-R69 PolarHBondContact OE1-NH1 2.98Å; E54-R69 IonicContact OE1-NH2 3.88Å; E54-R69 IonicContact OE2-CZ 3.61Å; E54-R69 IonicContact OE2-NH1 2.68Å; E54-R69 PolarHBondContact OE2-NH1 3.23Å; E54-R69 VanDerWaalsContact OE2-NH1 3.13Å; E54-R69 IonicContact OE2-NH2 2.8Å; E54-R69 PolarHBondContact OE2-NH2 2.84Å
55E96.7Very high95.8Very high152 Ų15262.8 Ų62.871%0.7133%0.333SS*.G310 helixtrans-60.9-15.8174.166.5-126.3-139.500114.4K53K53-E55 VanDerWaalsContact C-N 3.26Å; K53-E55 HydrophobicContact CB-CG 4.03Å; K53-E55 WeakPolarHBondContact CD-OE1 3.28Å; K53-E55 PolarHBondContact O-N 3.31Å
56M96.9Very high96.4Very high131 Ų13163.2 Ų63.265%0.64533%0.329SS*.G310 helixtrans-97.42.4177.6-59.7-68.3-67.300112.8K52 K53 E54K52-M56 PolarHBondContact NZ-O 2.7Å; K52-M56 VanDerWaalsContact NZ-O 3.13Å; K53-M56 HydrophobicContact CB-CG 4.06Å; K53-M56 WeakPolarHBondContact O-CB 3.46Å; K53-M56 PolarHBondContact O-N 2.94Å; E54-M56 PolarHBondContact O-N 2.85Å
57L97.2Very high97Very high20 Ų2062.2 Ų62.211%0.10532%0.316CS..  trans-77.9136.8174.1-66.5169.6000110.2V8 F10 P50 K52 E54 E61 L62 L65V8-L57 HydrophobicContact CG1-CD2 3.76Å; F10-L57 HydrophobicContact CE1-CD2 4.35Å; P50-L57 HydrophobicContact CB-CD1 4.14Å; P50-L57 HydrophobicContact CB-CD2 4.43Å; P50-L57 HydrophobicContact CG-CD1 4.16Å; K52-L57 HydrophobicContact CD-CD2 4.28Å; K52-L57 HydrophobicContact CG-CD2 4.2Å; E54-L57 HydrophobicContact CB-CD1 4.46Å; E54-L57 HydrophobicContact CG-CD1 4.02Å; E54-L57 WeakPolarHBondContact O-CB 3.44Å; E54-L57 PolarHBondContact O-N 3.28Å; L57-E61 VanDerWaalsContact CA-OE2 3.24Å; L57-E61 WeakPolarHBondContact CA-OE2 3.45Å; L57-E61 HydrophobicContact CB-CB 4.12Å; L57-E61 HydrophobicContact CD2-CB 3.73Å; L57-E61 HydrophobicContact CG-CB 4.46Å; L57-L62 HydrophobicContact CB-CB 4.38Å; L57-L62 HydrophobicContact CD1-CD1 4.34Å; L57-L65 HydrophobicContact CD1-CD2 3.5Å; L57-L65 VanDerWaalsContact CD1-CD2 3.5Å
58V95.7Very high97.3Very high80 Ų8055.8 Ų55.849%0.48529%0.286SS..  trans-75.8162.3166.6-55.50000110.2L21 D60 E61 L62L21-V58 HydrophobicContact CD1-CG2 3.95Å; V58-D60 VanDerWaalsContact C-N 3.29Å; V58-D60 PolarHBondContact O-N 3.26Å; V58-E61 HydrophobicContact CG2-CB 4.24Å; V58-E61 HydrophobicContact CG2-CG 3.59Å; V58-E61 PolarHBondContact N-OE2 3.04Å; V58-E61 WeakPolarHBondContact O-CB 3.47Å; V58-E61 PolarHBondContact O-N 3.28Å; V58-L62 PolarHBondContact O-N 3.18Å
59A95.6Very high97.4Very high75 Ų7557.6 Ų57.662%0.6229%0.292SS*.Hα-helixtrans-53.3-42-174.800000114L62 T63A59-L62 PolarHBondContact O-N 3.04Å; A59-T63 WeakPolarHBondContact O-CB 3.45Å; A59-T63 PolarHBondContact O-N 3.46Å; A59-T63 PolarHBondContact O-OG1 3.43Å
60D95.9Very high97.4Very high54 Ų5453.4 Ų53.429%0.28927%0.273SS..Hα-helixtrans-66.8-36.4178.1-76.9-6.4000111.7L21 V58 T63 V64 R87L21-D60 HydrophobicContact CD1-CB 3.58Å; L21-D60 HydrophobicContact CD2-CB 4.38Å; V58-D60 VanDerWaalsContact C-N 3.29Å; V58-D60 PolarHBondContact O-N 3.26Å; D60-T63 PolarHBondContact O-N 2.84Å; D60-V64 WeakPolarHBondContact O-CG2 3.24Å; D60-V64 PolarHBondContact O-N 3.33Å; D60-R87 IonicContact OD2-NH2 3.3Å; D60-R87 PolarHBondContact OD2-NH2 3.43Å
61E97.7Very high97.3Very high13 Ų1352.5 Ų52.56%0.06127%0.267CS..Hα-helixtrans-69.1-42.7176.1-61.9167.8164.900111.2V8 L19 L21 K52 L57 V58 T63 V64 L65V8-E61 HydrophobicContact CG2-CG 4.28Å; V8-E61 WeakPolarHBondContact CG2-OE1 3.08Å; L19-E61 HydrophobicContact CD2-CB 4.22Å; L19-E61 HydrophobicContact CD2-CG 4.09Å; L21-E61 HydrophobicContact CD1-CG 3.52Å; L21-E61 HydrophobicContact CG-CG 4.27Å; K52-E61 WeakPolarHBondContact CE-OE2 3.42Å; K52-E61 IonicContact NZ-OE1 3.47Å; K52-E61 PolarHBondContact NZ-OE1 2.67Å; K52-E61 IonicContact NZ-OE2 3.4Å; K52-E61 PolarHBondContact NZ-OE2 3.29Å; L57-E61 VanDerWaalsContact CA-OE2 3.24Å; L57-E61 WeakPolarHBondContact CA-OE2 3.45Å; L57-E61 HydrophobicContact CB-CB 4.12Å; L57-E61 HydrophobicContact CD2-CB 3.73Å; L57-E61 HydrophobicContact CG-CB 4.46Å; V58-E61 HydrophobicContact CG2-CB 4.24Å; V58-E61 HydrophobicContact CG2-CG 3.59Å; V58-E61 PolarHBondContact N-OE2 3.04Å; V58-E61 WeakPolarHBondContact O-CB 3.47Å; V58-E61 PolarHBondContact O-N 3.28Å; E61-T63 VanDerWaalsContact C-N 3.29Å; E61-T63 PolarHBondContact O-N 3.18Å; E61-V64 PolarHBondContact O-N 3.18Å; E61-L65 PolarHBondContact O-N 3.09Å
62L97.7Very high97.2Very high58 Ų5847.9 Ų47.930%0.30425%0.246SC..Hα-helixtrans-63.6-36.3176.1-177.459.9000111.6E54 L57 V58 A59 L65 N66E54-L62 HydrophobicContact CG-CD1 4.23Å; L57-L62 HydrophobicContact CB-CB 4.38Å; L57-L62 HydrophobicContact CD1-CD1 4.34Å; V58-L62 PolarHBondContact O-N 3.18Å; A59-L62 PolarHBondContact O-N 3.04Å; L62-L65 HydrophobicContact CD1-CD2 4.25Å; L62-L65 PolarHBondContact O-N 3.25Å; L62-N66 WeakPolarHBondContact O-CB 3.35Å; L62-N66 VanDerWaalsContact O-CG 3.27Å; L62-N66 PolarHBondContact O-N 3.47Å; L62-N66 PolarHBondContact O-ND2 3.25Å
63T97.9Very high97.1Very high30 Ų3048.5 Ų48.518%0.18425%0.25CC..Hα-helixtrans-62.9-45175.7-59.20000111.2A59 D60 E61 N66 W67 N85 M86A59-T63 WeakPolarHBondContact O-CB 3.45Å; A59-T63 PolarHBondContact O-N 3.46Å; A59-T63 PolarHBondContact O-OG1 3.43Å; D60-T63 PolarHBondContact O-N 2.84Å; E61-T63 VanDerWaalsContact C-N 3.29Å; E61-T63 PolarHBondContact O-N 3.18Å; T63-N66 PolarHBondContact O-N 2.95Å; T63-W67 PolarHBondContact O-N 3.27Å; T63-N85 HydrophobicContact CG2-CB 4.23Å; T63-M86 HydrophobicContact CG2-CE 4.45Å; T63-M86 HydrophobicContact CG2-CG 3.66Å
64V98.5Very high96.9Very high0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-64.2-45.1175173.70000111.2F10 L19 V26 L29 D60 E61 N66 W67 L68 M86 I148F10-V64 HydrophobicContact CE2-CG1 3.85Å; L19-V64 HydrophobicContact CD1-CG1 4.25Å; L19-V64 HydrophobicContact CD1-CG2 4.13Å; L19-V64 HydrophobicContact CD2-CB 3.97Å; L19-V64 HydrophobicContact CD2-CG1 4.09Å; L19-V64 HydrophobicContact CD2-CG2 4.09Å; V26-V64 HydrophobicContact CG2-CG2 3.7Å; L29-V64 HydrophobicContact CD2-CG1 4.4Å; D60-V64 WeakPolarHBondContact O-CG2 3.24Å; D60-V64 PolarHBondContact O-N 3.33Å; E61-V64 PolarHBondContact O-N 3.18Å; V64-N66 VanDerWaalsContact C-N 3.32Å; V64-N66 PolarHBondContact O-N 3.48Å; V64-W67 PolarHBondContact O-N 2.94Å; V64-L68 HydrophobicContact CG1-CD1 4.2Å; V64-L68 HydrophobicContact CG1-CG 4.44Å; V64-L68 WeakPolarHBondContact O-CG 3.15Å; V64-L68 PolarHBondContact O-N 3.48Å; V64-M86 HydrophobicContact CG2-SD 4.01Å; V64-I148 HydrophobicContact CG1-CD1 4.11Å
65L98.6Very high96.7Very high0 Ų043.8 Ų43.80%023%0.232CC..Hα-helixtrans-56.2-46.7176.2174.460.3000111.4F10 V48 P50 E54 L57 E61 L62 W67 L68 R69F10-L65 HydrophobicContact CD1-CD1 3.93Å; F10-L65 HydrophobicContact CE1-CB 3.98Å; F10-L65 HydrophobicContact CE1-CD1 4.18Å; F10-L65 HydrophobicContact CE1-CG 4.49Å; F10-L65 HydrophobicContact CZ-CB 4.22Å; V48-L65 HydrophobicContact CB-CD1 4.33Å; V48-L65 HydrophobicContact CG1-CD1 3.72Å; P50-L65 HydrophobicContact CB-CD2 4.33Å; P50-L65 HydrophobicContact CG-CD2 3.89Å; E54-L65 HydrophobicContact CG-CD2 4.39Å; L57-L65 HydrophobicContact CD1-CD2 3.5Å; L57-L65 VanDerWaalsContact CD1-CD2 3.5Å; E61-L65 PolarHBondContact O-N 3.09Å; L62-L65 HydrophobicContact CD1-CD2 4.25Å; L62-L65 PolarHBondContact O-N 3.25Å; L65-W67 VanDerWaalsContact C-N 3.33Å; L65-W67 PolarHBondContact O-N 3.38Å; L65-L68 PolarHBondContact O-N 3.49Å; L65-R69 HydrophobicContact CD1-CG 4.31Å; L65-R69 WeakPolarHBondContact O-CG 3.37Å; L65-R69 PolarHBondContact O-N 3.09Å
66N98.4Very high96.6Very high50 Ų5037.7 Ų37.727%0.26721%0.205SC..Hα-helixtrans-65.4-35.4179.9-75.1-27.3000112.7L62 T63 V64 A70 L82L62-N66 WeakPolarHBondContact O-CB 3.35Å; L62-N66 VanDerWaalsContact O-CG 3.27Å; L62-N66 PolarHBondContact O-N 3.47Å; L62-N66 PolarHBondContact O-ND2 3.25Å; T63-N66 PolarHBondContact O-N 2.95Å; V64-N66 VanDerWaalsContact C-N 3.32Å; V64-N66 PolarHBondContact O-N 3.48Å; N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3.44Å; N66-L82 HydrophobicContact CB-CD2 4.06Å
67W98.6Very high96.5Very high11 Ų1136.6 Ų36.64%0.04220%0.202CC..Hα-helixtrans-66.1-43.9172.4-170.6102.1000111.8T63 V64 L65 A70 Y71 L79 L82 M86 L147 I148T63-W67 PolarHBondContact O-N 3.27Å; V64-W67 PolarHBondContact O-N 2.94Å; L65-W67 VanDerWaalsContact C-N 3.33Å; L65-W67 PolarHBondContact O-N 3.38Å; W67-A70 PolarHBondContact O-N 3.32Å; W67-Y71 AromaticContact CH2-CD2 3.64Å; W67-Y71 HydrophobicContact CH2-CD2 3.64Å; W67-Y71 HydrophobicContact CH2-CE2 4.28Å; W67-Y71 HydrophobicContact CH2-CG 4.19Å; W67-Y71 HydrophobicContact CZ2-CD2 4.37Å; W67-Y71 AromaticContact CZ3-CD2 3.94Å; W67-Y71 HydrophobicContact CZ3-CD2 3.94Å; W67-Y71 HydrophobicContact CZ3-CG 4.01Å; W67-Y71 WeakPolarHBondContact O-CB 3.32Å; W67-Y71 PolarHBondContact O-N 3.04Å; W67-L79 HydrophobicContact CD2-CD2 4.09Å; W67-L79 HydrophobicContact CG-CD2 4.26Å; W67-L79 HydrophobicContact CZ2-CD2 4.28Å; W67-L79 PolarHBondContact NE1-O 3.12Å; W67-L82 HydrophobicContact CB-CB 4.19Å; W67-L82 HydrophobicContact CG-CB 4.35Å; W67-M86 HydrophobicContact CB-CE 3.27Å; W67-M86 HydrophobicContact CD2-CE 4.29Å; W67-M86 HydrophobicContact CG-CE 3.34Å; W67-L147 HydrophobicContact CH2-CG 4.42Å; W67-L147 HydrophobicContact CZ3-CD2 4.31Å; W67-L147 HydrophobicContact CZ3-CG 4.14Å; W67-I148 HydrophobicContact CD2-CD1 4.47Å; W67-I148 HydrophobicContact CD2-CG1 3.96Å; W67-I148 HydrophobicContact CE3-CD1 4.21Å; W67-I148 HydrophobicContact CE3-CG1 3.56Å; W67-I148 HydrophobicContact CH2-CB 4.33Å; W67-I148 HydrophobicContact CH2-CG1 3.96Å; W67-I148 HydrophobicContact CZ2-CB 4.47Å; W67-I148 HydrophobicContact CZ2-CG1 4.3Å; W67-I148 HydrophobicContact CZ2-CG2 4.44Å; W67-I148 HydrophobicContact CZ3-CB 4.42Å; W67-I148 HydrophobicContact CZ3-CG1 3.58Å
68L98.4Very high96.4Very high0 Ų038.8 Ų38.80%021%0.213CC..Hα-helixtrans-61.1-45.8175.7-68.9174.5000110.9F10 M17 L29 V48 V64 L65 Y71 F72 L147F10-L68 HydrophobicContact CB-CD1 4.17Å; F10-L68 HydrophobicContact CD2-CD1 3.45Å; F10-L68 VanDerWaalsContact CD2-CD1 3.45Å; F10-L68 HydrophobicContact CE2-CD1 4.07Å; F10-L68 HydrophobicContact CG-CD1 4Å; M17-L68 HydrophobicContact SD-CD2 4.2Å; L29-L68 HydrophobicContact CD2-CD2 4.4Å; V48-L68 HydrophobicContact CG1-CB 4.13Å; V48-L68 HydrophobicContact CG2-CB 4.24Å; V64-L68 HydrophobicContact CG1-CD1 4.2Å; V64-L68 HydrophobicContact CG1-CG 4.44Å; V64-L68 WeakPolarHBondContact O-CG 3.15Å; V64-L68 PolarHBondContact O-N 3.48Å; L65-L68 PolarHBondContact O-N 3.49Å; L68-Y71 WeakPolarHBondContact O-CB 3.41Å; L68-Y71 PolarHBondContact O-N 2.89Å; L68-F72 HydrophobicContact CD2-CE2 4.26Å; L68-F72 WeakPolarHBondContact O-CD2 3.38Å; L68-F72 PolarHBondContact O-N 3.16Å; L68-L147 HydrophobicContact CD2-CD2 3.8Å
69R97.9Very high96.5Very high38 Ų3835.5 Ų35.514%0.14319%0.193CC..Hα-helixtrans-54.7-54.9173.4-77.3179.1174.6158.7-6.2111.2V48 E54 L65 Y71 F72 E73V48-R69 HydrophobicContact CB-CG 3.88Å; V48-R69 PolarHBondContact O-NE 2.86Å; E54-R69 VanDerWaalsContact CD-NH1 3.34Å; E54-R69 IonicContact OE1-CZ 2.86Å; E54-R69 IonicContact OE1-NH1 2.77Å; E54-R69 PolarHBondContact OE1-NH1 2.98Å; E54-R69 IonicContact OE1-NH2 3.88Å; E54-R69 IonicContact OE2-CZ 3.61Å; E54-R69 IonicContact OE2-NH1 2.68Å; E54-R69 PolarHBondContact OE2-NH1 3.23Å; E54-R69 VanDerWaalsContact OE2-NH1 3.13Å; E54-R69 IonicContact OE2-NH2 2.8Å; E54-R69 PolarHBondContact OE2-NH2 2.84Å; L65-R69 HydrophobicContact CD1-CG 4.31Å; L65-R69 WeakPolarHBondContact O-CG 3.37Å; L65-R69 PolarHBondContact O-N 3.09Å; R69-Y71 PolarHBondContact O-N 3.47Å; R69-F72 PolarHBondContact O-N 3.22Å; R69-E73 WeakPolarHBondContact O-CB 3.36Å; R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 3.31Å
70A97Very high96.5Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-57.4-37.8178.800000112.6N66 W67 G74 R75 D78 L79 L82N66-A70 WeakPolarHBondContact O-CB 3.43Å; N66-A70 PolarHBondContact O-N 3.44Å; W67-A70 PolarHBondContact O-N 3.32Å; A70-G74 PolarHBondContact O-N 3.43Å; A70-R75 HydrophobicContact CB-CB 4.13Å; A70-R75 PolarHBondContact O-N 2.73Å; A70-D78 HydrophobicContact CB-CB 4.25Å; A70-L79 HydrophobicContact CB-CD2 3.81Å; A70-L82 HydrophobicContact CB-CD1 3.66Å
71Y96.7Very high96.5Very high1 Ų140.1 Ų40.10%0.00420%0.204CC..Hα-helixtrans-63.5-53.5177.6-176.9-88.6000111.5W67 L68 R69 G74 L79 F114 L147 L176 F179 E180W67-Y71 AromaticContact CH2-CD2 3.64Å; W67-Y71 HydrophobicContact CH2-CD2 3.64Å; W67-Y71 HydrophobicContact CH2-CE2 4.28Å; W67-Y71 HydrophobicContact CH2-CG 4.19Å; W67-Y71 HydrophobicContact CZ2-CD2 4.37Å; W67-Y71 AromaticContact CZ3-CD2 3.94Å; W67-Y71 HydrophobicContact CZ3-CD2 3.94Å; W67-Y71 HydrophobicContact CZ3-CG 4.01Å; W67-Y71 WeakPolarHBondContact O-CB 3.32Å; W67-Y71 PolarHBondContact O-N 3.04Å; L68-Y71 WeakPolarHBondContact O-CB 3.41Å; L68-Y71 PolarHBondContact O-N 2.89Å; R69-Y71 PolarHBondContact O-N 3.47Å; Y71-G74 PolarHBondContact O-N 2.82Å; Y71-L79 HydrophobicContact CD2-CD1 4.2Å; Y71-F114 HydrophobicContact CD2-CD2 4.49Å; Y71-F114 AromaticContact CD2-CE2 3.82Å; Y71-F114 HydrophobicContact CD2-CE2 3.82Å; Y71-F114 HydrophobicContact CE2-CD2 4.21Å; Y71-F114 AromaticContact CE2-CE2 3.54Å; Y71-F114 HydrophobicContact CE2-CE2 3.54Å; Y71-F114 HydrophobicContact CE2-CZ 4.49Å; Y71-L147 HydrophobicContact CD1-CD2 4.19Å; Y71-L147 HydrophobicContact CE1-CD1 3.82Å; Y71-L147 HydrophobicContact CE1-CD2 4.25Å; Y71-L147 HydrophobicContact CE1-CG 4.35Å; Y71-L147 HydrophobicContact CE2-CD1 4.32Å; Y71-L176 HydrophobicContact CE1-CD2 4.14Å; Y71-F179 AromaticContact CD1-CE1 3.96Å; Y71-F179 HydrophobicContact CD1-CE1 3.96Å; Y71-F179 AromaticContact CE1-CD1 3.86Å; Y71-F179 HydrophobicContact CE1-CD1 3.86Å; Y71-F179 AromaticContact CE1-CE1 3.61Å; Y71-F179 HydrophobicContact CE1-CE1 3.61Å; Y71-F179 WeakPolarHBondContact O-CE1 3.38Å; Y71-F179 WeakPolarHBondContact O-CZ 3.37Å; Y71-E180 HydrophobicContact CE2-CG 4.29Å; Y71-E180 WeakPolarHBondContact CE2-OE1 3.44Å; Y71-E180 WeakPolarHBondContact OH-CG 3.37Å; Y71-E180 PolarHBondContact OH-OE1 3.16Å
72F95.1Very high96.4Very high0 Ų041 Ų410%021%0.209CC..Hα-helixtrans-77.8-25.4-175.8-68.9-66.9000113.6T12 P13 I14 V44 A45 G46 V48 L68 R69 G74 L147T12-F72 HydrophobicContact CG2-CE2 3.99Å; P13-F72 HydrophobicContact CB-CD1 4.31Å; P13-F72 HydrophobicContact CG-CB 4.08Å; P13-F72 HydrophobicContact CG-CD1 3.92Å; P13-F72 HydrophobicContact CG-CG 3.97Å; I14-F72 HydrophobicContact CD1-CE1 4.27Å; I14-F72 HydrophobicContact CD1-CZ 3.77Å; I14-F72 HydrophobicContact CG1-CE1 4.13Å; I14-F72 HydrophobicContact CG1-CZ 3.76Å; I14-F72 HydrophobicContact CG2-CE1 3.93Å; I14-F72 HydrophobicContact CG2-CZ 4.43Å; V44-F72 HydrophobicContact CG1-CD1 3.72Å; V44-F72 HydrophobicContact CG1-CE1 3.66Å; V44-F72 WeakPolarHBondContact O-CD1 3.37Å; A45-F72 VanDerWaalsContact CA-O 3.25Å; A45-F72 WeakPolarHBondContact CA-O 3.45Å; G46-F72 PolarHBondContact N-O 3.15Å; G46-F72 WeakPolarHBondContact O-CB 3.44Å; V48-F72 HydrophobicContact CG2-CB 4.14Å; V48-F72 HydrophobicContact CG2-CD2 3.42Å; V48-F72 VanDerWaalsContact CG2-CD2 3.42Å; V48-F72 HydrophobicContact CG2-CE2 4.2Å; V48-F72 HydrophobicContact CG2-CG 4.14Å; L68-F72 HydrophobicContact CD2-CE2 4.26Å; L68-F72 WeakPolarHBondContact O-CD2 3.38Å; L68-F72 PolarHBondContact O-N 3.16Å; R69-F72 PolarHBondContact O-N 3.22Å; F72-G74 PolarHBondContact O-N 2.89Å; F72-L147 HydrophobicContact CE2-CD2 3.95Å; F72-L147 HydrophobicContact CZ-CD2 3.73Å
73E94Very high96.4Very high87 Ų8740.9 Ų40.941%0.40721%0.206SC..THydrogen-bonded Turntrans-79.5-8.3172-67161.4-171.200112.5R69 R75R69-E73 WeakPolarHBondContact O-CB 3.36Å; R69-E73 WeakPolarHBondContact O-CG 3.38Å; R69-E73 PolarHBondContact O-N 3.31Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 HydrophobicContact CB-CG 4.34Å; E73-R75 IonicContact OE2-CZ 3.82Å; E73-R75 VanDerWaalsContact OE2-CZ 3.28Å; E73-R75 IonicContact OE2-NE 3.69Å; E73-R75 PolarHBondContact OE2-NE 3.18Å; E73-R75 IonicContact OE2-NH2 2.84Å; E73-R75 PolarHBondContact OE2-NH2 3.36Å
74G92.7Very high96.2Very high23 Ų2346.9 Ų46.924%0.23723%0.232CC..THydrogen-bonded Turntrans73.821.2179.900000114.5A70 Y71 F72 V76A70-G74 PolarHBondContact O-N 3.43Å; Y71-G74 PolarHBondContact O-N 2.82Å; F72-G74 PolarHBondContact O-N 2.89Å; G74-V76 PolarHBondContact O-N 2.67Å
75R94.2Very high96Very high97 Ų9751.8 Ų51.837%0.36626%0.258SS..  trans-78.661.5171.5-63.3-171.6-71.3126.2-6.8110.7A70 E73 D77 D78A70-R75 HydrophobicContact CB-CB 4.13Å; A70-R75 PolarHBondContact O-N 2.73Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 HydrophobicContact CB-CG 4.34Å; E73-R75 IonicContact OE2-CZ 3.82Å; E73-R75 VanDerWaalsContact OE2-CZ 3.28Å; E73-R75 IonicContact OE2-NE 3.69Å; E73-R75 PolarHBondContact OE2-NE 3.18Å; E73-R75 IonicContact OE2-NH2 2.84Å; E73-R75 PolarHBondContact OE2-NH2 3.36Å; R75-D77 PolarHBondContact O-N 2.97Å; R75-D77 VanDerWaalsContact O-N 3.15Å; R75-D78 HydrophobicContact CB-CB 4.37Å; R75-D78 WeakPolarHBondContact CB-OD2 3.4Å; R75-D78 WeakPolarHBondContact CD-OD2 3.46Å; R75-D78 IonicContact CZ-OD2 3.55Å; R75-D78 IonicContact NE-OD2 2.81Å; R75-D78 IonicContact NH1-OD2 3.13Å; R75-D78 PolarHBondContact NH1-OD2 2.8Å; R75-D78 WeakPolarHBondContact O-CB 3.47Å; R75-D78 PolarHBondContact O-N 3.34Å
76V93.8Very high95.9Very high24 Ų2452.7 Ų52.715%0.14526%0.263CS..G310 helixtrans-57.4-33.3-172.3-179.90000112.5G74 D78 L79 F114 L183 L184G74-V76 PolarHBondContact O-N 2.67Å; V76-D78 VanDerWaalsContact C-N 3.25Å; V76-D78 PolarHBondContact O-N 2.79Å; V76-L79 HydrophobicContact CG1-CD1 4.48Å; V76-L79 WeakPolarHBondContact O-CB 3.43Å; V76-L79 PolarHBondContact O-N 3.46Å; V76-F114 HydrophobicContact CG1-CB 4.1Å; V76-F114 HydrophobicContact CG1-CD1 3.7Å; V76-F114 HydrophobicContact CG1-CD2 4.31Å; V76-F114 HydrophobicContact CG1-CE1 4.13Å; V76-F114 HydrophobicContact CG1-CG 3.79Å; V76-F114 HydrophobicContact CG2-CD1 4.02Å; V76-F114 HydrophobicContact CG2-CE1 3.56Å; V76-F114 HydrophobicContact CG2-CE2 4.27Å; V76-F114 HydrophobicContact CG2-CZ 3.7Å; V76-L183 HydrophobicContact CG2-CB 4.28Å; V76-L183 HydrophobicContact CG2-CD1 4.29Å; V76-L184 HydrophobicContact CG1-CD2 4.46Å
77D94.6Very high95.7Very high108 Ų10856.3 Ų56.358%0.57827%0.273SS*.G310 helixtrans-70.5-20.3-178.7-66.4-21.8000113.4R75 K187R75-D77 PolarHBondContact O-N 2.97Å; R75-D77 VanDerWaalsContact O-N 3.15Å; D77-K187 IonicContact OD1-NZ 2.79Å; D77-K187 PolarHBondContact OD1-NZ 2.96Å; D77-K187 IonicContact OD2-NZ 3.36Å; D77-K187 PolarHBondContact OD2-NZ 3.32Å
78D95.6Very high95.5Very high65 Ų6556.4 Ų56.435%0.34827%0.274SS..G310 helixtrans-83.2-22.1177.3-63.9-23.1000112.2A70 R75 V76 K81 L82A70-D78 HydrophobicContact CB-CB 4.25Å; R75-D78 HydrophobicContact CB-CB 4.37Å; R75-D78 WeakPolarHBondContact CB-OD2 3.4Å; R75-D78 WeakPolarHBondContact CD-OD2 3.46Å; R75-D78 IonicContact CZ-OD2 3.55Å; R75-D78 IonicContact NE-OD2 2.81Å; R75-D78 IonicContact NH1-OD2 3.13Å; R75-D78 PolarHBondContact NH1-OD2 2.8Å; R75-D78 WeakPolarHBondContact O-CB 3.47Å; R75-D78 PolarHBondContact O-N 3.34Å; V76-D78 VanDerWaalsContact C-N 3.25Å; V76-D78 PolarHBondContact O-N 2.79Å; D78-K81 PolarHBondContact O-N 3.02Å; D78-L82 HydrophobicContact CB-CD1 4.08Å; D78-L82 WeakPolarHBondContact O-CG 3.34Å; D78-L82 PolarHBondContact O-N 3.18Å
79L96.8Very high95.2Very high12 Ų1256.4 Ų56.46%0.06327%0.274CS..Hα-helixtrans-58.9-44.7-172.3-63.6177.9000114W67 A70 Y71 V76 L82 F83 F114W67-L79 HydrophobicContact CD2-CD2 4.09Å; W67-L79 HydrophobicContact CG-CD2 4.26Å; W67-L79 HydrophobicContact CZ2-CD2 4.28Å; W67-L79 PolarHBondContact NE1-O 3.12Å; A70-L79 HydrophobicContact CB-CD2 3.81Å; Y71-L79 HydrophobicContact CD2-CD1 4.2Å; V76-L79 HydrophobicContact CG1-CD1 4.48Å; V76-L79 WeakPolarHBondContact O-CB 3.43Å; V76-L79 PolarHBondContact O-N 3.46Å; L79-L82 PolarHBondContact O-N 3.05Å; L79-F83 VanDerWaalsContact O-CB 3.28Å; L79-F83 WeakPolarHBondContact O-CB 3.34Å; L79-F83 PolarHBondContact O-N 3.49Å; L79-F114 HydrophobicContact CD1-CD2 3.62Å; L79-F114 HydrophobicContact CD1-CE2 3.78Å
80P95.9Very high94.8Very high73 Ų7354.6 Ų54.647%0.47427%0.267SS..Hα-helixtrans-61.7-45.9179.6-23.535.5000112.2L82 F83 E84P80-L82 VanDerWaalsContact C-N 3.34Å; P80-L82 PolarHBondContact O-N 2.87Å; P80-F83 WeakPolarHBondContact O-CB 3.34Å; P80-F83 PolarHBondContact O-N 3.33Å; P80-F83 VanDerWaalsContact O-N 3.16Å; P80-E84 WeakPolarHBondContact O-CG 3.5Å; P80-E84 PolarHBondContact O-N 3.2Å
81K95.7Very high94.5Very high152 Ų15256.4 Ų56.466%0.66128%0.276SS*.Hα-helixtrans-64-39.5179.7-175.4-179.9178.6-177.10111.9D78 N85D78-K81 PolarHBondContact O-N 3.02Å; K81-N85 PolarHBondContact O-ND2 3.42Å
82L96.7Very high93.9Very high33 Ų3358.3 Ų58.317%0.17329%0.292CS..Hα-helixtrans-68.3-37.5175.5-70.3167.4000111.5N66 W67 A70 D78 L79 P80 N85 M86N66-L82 HydrophobicContact CB-CD2 4.06Å; W67-L82 HydrophobicContact CB-CB 4.19Å; W67-L82 HydrophobicContact CG-CB 4.35Å; A70-L82 HydrophobicContact CB-CD1 3.66Å; D78-L82 HydrophobicContact CB-CD1 4.08Å; D78-L82 WeakPolarHBondContact O-CG 3.34Å; D78-L82 PolarHBondContact O-N 3.18Å; L79-L82 PolarHBondContact O-N 3.05Å; P80-L82 VanDerWaalsContact C-N 3.34Å; P80-L82 PolarHBondContact O-N 2.87Å; L82-N85 PolarHBondContact O-N 3.03Å; L82-M86 WeakPolarHBondContact O-CE 3.41Å
83F96.8Very high92.5Very high55 Ų5564 Ų6424%0.24133%0.331CS..Hα-helixtrans-64.9-42.5176.4-178-89.3000112.7L79 P80 N85 M86 F88 C110 I148L79-F83 VanDerWaalsContact O-CB 3.28Å; L79-F83 WeakPolarHBondContact O-CB 3.34Å; L79-F83 PolarHBondContact O-N 3.49Å; P80-F83 WeakPolarHBondContact O-CB 3.34Å; P80-F83 PolarHBondContact O-N 3.33Å; P80-F83 VanDerWaalsContact O-N 3.16Å; F83-N85 PolarHBondContact O-N 3.09Å; F83-M86 WeakPolarHBondContact O-CB 3.29Å; F83-M86 PolarHBondContact O-N 3.38Å; F83-F88 HydrophobicContact CD2-CE2 4.07Å; F83-F88 AromaticContact CD2-CZ 3.92Å; F83-F88 HydrophobicContact CD2-CZ 3.92Å; F83-F88 HydrophobicContact CE1-CE2 4.29Å; F83-F88 AromaticContact CE2-CE2 3.43Å; F83-F88 HydrophobicContact CE2-CE2 3.43Å; F83-F88 VanDerWaalsContact CE2-CE2 3.43Å; F83-F88 AromaticContact CE2-CZ 3.49Å; F83-F88 HydrophobicContact CE2-CZ 3.49Å; F83-F88 VanDerWaalsContact CE2-CZ 3.49Å; F83-F88 HydrophobicContact CZ-CD2 4.38Å; F83-F88 AromaticContact CZ-CE2 3.54Å; F83-F88 HydrophobicContact CZ-CE2 3.54Å; F83-F88 HydrophobicContact CZ-CZ 4.11Å; F83-C110 HydrophobicContact CE1-CB 4.41Å; F83-C110 HydrophobicContact CE2-CB 4.45Å; F83-C110 HydrophobicContact CZ-CB 3.78Å; F83-I148 HydrophobicContact CD2-CG2 3.84Å; F83-I148 HydrophobicContact CE2-CG2 3.88Å
84E94.8Very high91.1Very high155 Ų15565.6 Ų65.672%0.72434%0.343SS*.Hα-helixtrans-60.1-25.6178.7-74.9170.8-171.400113.5P80 M86P80-E84 WeakPolarHBondContact O-CG 3.5Å; P80-E84 PolarHBondContact O-N 3.2Å; E84-M86 VanDerWaalsContact C-N 3.31Å
85N93.1Very high90.1Very high103 Ų10364.8 Ų64.855%0.55133%0.334SS*.THydrogen-bonded Turntrans-85.40.6176.9-70.2-61.3000113.6T63 K81 L82 F83T63-N85 HydrophobicContact CG2-CB 4.23Å; K81-N85 PolarHBondContact O-ND2 3.42Å; L82-N85 PolarHBondContact O-N 3.03Å; F83-N85 PolarHBondContact O-N 3.09Å
86M96.1Very high89.1Confident19 Ų1963.1 Ų63.19%0.09433%0.333CS..  trans-100.3138.4177.6-67.3-172.8-128.100112.4T63 V64 W67 L82 F83 E84 F88 I148T63-M86 HydrophobicContact CG2-CE 4.45Å; T63-M86 HydrophobicContact CG2-CG 3.66Å; V64-M86 HydrophobicContact CG2-SD 4.01Å; W67-M86 HydrophobicContact CB-CE 3.27Å; W67-M86 HydrophobicContact CD2-CE 4.29Å; W67-M86 HydrophobicContact CG-CE 3.34Å; L82-M86 WeakPolarHBondContact O-CE 3.41Å; F83-M86 WeakPolarHBondContact O-CB 3.29Å; F83-M86 PolarHBondContact O-N 3.38Å; E84-M86 VanDerWaalsContact C-N 3.31Å; M86-F88 HydrophobicContact CB-CE1 4.3Å; M86-F88 HydrophobicContact CB-CE2 3.8Å; M86-F88 HydrophobicContact CB-CZ 3.62Å; M86-F88 HydrophobicContact CG-CZ 4.4Å; M86-F88 HydrophobicContact SD-CE1 4.21Å; M86-F88 HydrophobicContact SD-CZ 3.88Å; M86-I148 HydrophobicContact CE-CD1 4.39Å; M86-I148 HydrophobicContact SD-CD1 4.04Å; M86-I148 HydrophobicContact SD-CG2 4.47Å
87R94.3Very high88.7Confident126 Ų12665.6 Ų65.648%0.47536%0.363SS..  trans-101.7139.9164.7-61.8179-60.1121.97.6109.1K23 G25 V26 D60K23-R87 PolarHBondContact O-NH1 2.83Å; G25-R87 CarbonylContact C-O 3.52Å; G25-R87 WeakPolarHBondContact CA-O 3.09Å; V26-R87 PolarHBondContact N-O 3.31Å; D60-R87 IonicContact OD2-NH2 3.3Å; D60-R87 PolarHBondContact OD2-NH2 3.43Å
88F95.3Very high88.4Confident14 Ų1461.3 Ų61.36%0.06134%0.341CS..BIsolated β-bridgetrans-116.3121178.6-59.8-80.1000109.9V26 F83 M86 C90 L91 A92 V145 I148V26-F88 HydrophobicContact CB-CD1 3.92Å; V26-F88 HydrophobicContact CB-CE1 4.29Å; V26-F88 HydrophobicContact CG1-CD1 4.38Å; V26-F88 HydrophobicContact CG2-CD1 4.38Å; V26-F88 HydrophobicContact CG2-CE1 4.33Å; F83-F88 HydrophobicContact CD2-CE2 4.07Å; F83-F88 AromaticContact CD2-CZ 3.92Å; F83-F88 HydrophobicContact CD2-CZ 3.92Å; F83-F88 HydrophobicContact CE1-CE2 4.29Å; F83-F88 AromaticContact CE2-CE2 3.43Å; F83-F88 HydrophobicContact CE2-CE2 3.43Å; F83-F88 VanDerWaalsContact CE2-CE2 3.43Å; F83-F88 AromaticContact CE2-CZ 3.49Å; F83-F88 HydrophobicContact CE2-CZ 3.49Å; F83-F88 VanDerWaalsContact CE2-CZ 3.49Å; F83-F88 HydrophobicContact CZ-CD2 4.38Å; F83-F88 AromaticContact CZ-CE2 3.54Å; F83-F88 HydrophobicContact CZ-CE2 3.54Å; F83-F88 HydrophobicContact CZ-CZ 4.11Å; M86-F88 HydrophobicContact CB-CE1 4.3Å; M86-F88 HydrophobicContact CB-CE2 3.8Å; M86-F88 HydrophobicContact CB-CZ 3.62Å; M86-F88 HydrophobicContact CG-CZ 4.4Å; M86-F88 HydrophobicContact SD-CE1 4.21Å; M86-F88 HydrophobicContact SD-CZ 3.88Å; F88-C90 PolarHBondContact O-N 2.99Å; F88-L91 HydrophobicContact CB-CB 4.1Å; F88-L91 HydrophobicContact CB-CD1 3.88Å; F88-L91 HydrophobicContact CB-CG 3.77Å; F88-L91 HydrophobicContact CD2-CD1 3.76Å; F88-L91 HydrophobicContact CG-CD1 4.08Å; F88-L91 HydrophobicContact CG-CG 4.46Å; F88-L91 PolarHBondContact O-N 3.39Å; F88-A92 PolarHBondContact O-N 3.17Å; F88-V145 HydrophobicContact CD1-CG1 4.11Å; F88-V145 HydrophobicContact CD1-CG2 4.2Å; F88-V145 HydrophobicContact CE1-CG1 3.98Å; F88-I148 HydrophobicContact CE1-CG2 3.72Å; F88-I148 HydrophobicContact CZ-CG2 3.58Å
89C93.1Very high88.3Confident0 Ų061.3 Ų61.30%035%0.346CS..G310 helixtrans-56.9-38.8178.3-179.60000111.1C2 N24 V26 L91 A92 G95C2-C89 PolarHBondContact SG-SG 3.17Å; N24-C89 HydrophobicContact CB-CB 4Å; V26-C89 WeakPolarHBondContact O-CB 3.44Å; V26-C89 PolarHBondContact O-N 3.45Å; C89-L91 PolarHBondContact O-N 3.33Å; C89-A92 PolarHBondContact O-N 3.36Å; C89-G95 CarbonylContact O-C 3.55Å; C89-G95 VanDerWaalsContact O-CA 3.23Å; C89-G95 WeakPolarHBondContact O-CA 3.42Å
90C88.8Confident88.1Confident0 Ų067.5 Ų67.50%038%0.375CS..G310 helixtrans-71.9-10.7-179.960.80000114.6F88 V98 Y106 P144F88-C90 PolarHBondContact O-N 2.99Å; C90-V98 HydrophobicContact CB-CG2 3.85Å; C90-Y106 HydrophobicContact CB-CD2 4.44Å; C90-Y106 HydrophobicContact CB-CE2 4.49Å; C90-P144 HydrophobicContact CB-CG 3.54Å
91L90.8Very high88Confident38 Ų3866.8 Ų66.820%0.19936%0.364CS..G310 helixtrans-100.5-14.9176.3-60.3-176000112.6F88 C89 Y106F88-L91 HydrophobicContact CB-CB 4.1Å; F88-L91 HydrophobicContact CB-CD1 3.88Å; F88-L91 HydrophobicContact CB-CG 3.77Å; F88-L91 HydrophobicContact CD2-CD1 3.76Å; F88-L91 HydrophobicContact CG-CD1 4.08Å; F88-L91 HydrophobicContact CG-CG 4.46Å; F88-L91 PolarHBondContact O-N 3.39Å; C89-L91 PolarHBondContact O-N 3.33Å; L91-Y106 HydrophobicContact CD2-CD2 4.46Å
92A83.1Confident88Confident41 Ų4159.8 Ų59.834%0.33934%0.335SS..SBendtrans-70.3138.616800000109.7F88 C89 N94 G95F88-A92 PolarHBondContact O-N 3.17Å; C89-A92 PolarHBondContact O-N 3.36Å; A92-N94 PolarHBondContact O-N 3.16Å; A92-N94 VanDerWaalsContact O-N 3.1Å; A92-G95 PolarHBondContact O-N 3.14Å
93S66.7Low87.9Confident118 Ų11859.2 Ų59.283%0.82533%0.333SS*.THydrogen-bonded Turntrans-50.9118.8178.9-57.70000111.2G95S93-G95 PolarHBondContact O-N 3.43Å
94N64.3Low87.9Confident122 Ų12261.9 Ų61.965%0.65234%0.344SS*.THydrogen-bonded Turntrans61.415.5-175.7-61.2-23.7000116.4A92A92-N94 PolarHBondContact O-N 3.16Å; A92-N94 VanDerWaalsContact O-N 3.1Å
95G71.6Confident88Confident5 Ų554.5 Ų54.55%0.05231%0.31CS..G310 helixtrans-69.2140.617300000111.6C89 A92 S93 G97 V98C89-G95 CarbonylContact O-C 3.55Å; C89-G95 VanDerWaalsContact O-CA 3.23Å; C89-G95 WeakPolarHBondContact O-CA 3.42Å; A92-G95 PolarHBondContact O-N 3.14Å; S93-G95 PolarHBondContact O-N 3.43Å; G95-G97 PolarHBondContact O-N 3.24Å; G95-G97 VanDerWaalsContact O-N 3.09Å; G95-V98 WeakPolarHBondContact O-CB 3.39Å; G95-V98 WeakPolarHBondContact O-CG2 3.46Å; G95-V98 PolarHBondContact O-N 3.28Å; G95-V98 VanDerWaalsContact O-N 3.11Å
96N74Confident88.2Confident63 Ų6349.8 Ų49.834%0.33728%0.284SS..G310 helixtrans54.124.4-177.1-158.312.7000115.1H27 V98H27-N96 PolarHBondContact CE1-OD1 3.15Å; H27-N96 PolarHBondContact NE2-OD1 2.87Å; H27-N96 PolarHBondContact O-ND2 2.97Å; N96-V98 HydrophobicContact CB-CG2 4.2Å; N96-V98 PolarHBondContact O-N 2.93Å
97G83.6Confident88.2Confident76 Ų7652.7 Ų52.778%0.78430%0.3SS*.G310 helixtrans67.315-177.800000114.4G95G95-G97 PolarHBondContact O-N 3.24Å; G95-G97 VanDerWaalsContact O-N 3.09Å
98V89.6Confident88.4Confident17 Ų1748.5 Ų48.510%0.10329%0.286CS..  trans-73.9131.4-178.7178.90000109.9C90 G95 N96 A102 V103 Y106C90-V98 HydrophobicContact CB-CG2 3.85Å; G95-V98 WeakPolarHBondContact O-CB 3.39Å; G95-V98 WeakPolarHBondContact O-CG2 3.46Å; G95-V98 PolarHBondContact O-N 3.28Å; G95-V98 VanDerWaalsContact O-N 3.11Å; N96-V98 HydrophobicContact CB-CG2 4.2Å; N96-V98 PolarHBondContact O-N 2.93Å; V98-A102 HydrophobicContact CG1-CB 3.57Å; V98-V103 HydrophobicContact CB-CG2 4.45Å; V98-V103 HydrophobicContact CG1-CG2 3.8Å; V98-Y106 HydrophobicContact CG1-CD2 4.12Å; V98-Y106 HydrophobicContact CG1-CE2 3.63Å; V98-Y106 HydrophobicContact CG2-CE2 4.4Å
99S92.6Very high88.6Confident66 Ų6647.9 Ų47.946%0.46228%0.283SS..  trans-71152.6178.269.90000111.8F101 A102 V103S99-F101 PolarHBondContact O-N 3.02Å; S99-F101 VanDerWaalsContact O-N 3.14Å; S99-A102 WeakPolarHBondContact O-CA 3.43Å; S99-A102 PolarHBondContact O-N 3.24Å; S99-A102 PolarHBondContact OG-N 3.3Å; S99-V103 WeakPolarHBondContact O-CG2 3.5Å; S99-V103 PolarHBondContact O-N 3.35Å
100E92.4Very high88.8Confident142 Ų14249.6 Ų49.666%0.66430%0.295SS*.Hα-helixtrans-54.9-35.1176-64.5-177.7175.300112.9V103 K104E100-V103 PolarHBondContact O-N 3.44Å; E100-K104 WeakPolarHBondContact O-CG 3.33Å; E100-K104 PolarHBondContact O-N 3.48Å
101F94.9Very high89.2Confident57 Ų5752.7 Ų52.725%0.2532%0.321CS..Hα-helixtrans-61.7-47.5173.8178.2-90.8000111.4S99 K104 V105 I127 Q129 A132 A135 V136 A139S99-F101 PolarHBondContact O-N 3.02Å; S99-F101 VanDerWaalsContact O-N 3.14Å; F101-K104 PolarHBondContact O-N 3.14Å; F101-V105 HydrophobicContact CD1-CG2 4.17Å; F101-V105 HydrophobicContact CE1-CG2 3.73Å; F101-V105 HydrophobicContact CZ-CG2 4.06Å; F101-V105 WeakPolarHBondContact O-CG2 3.49Å; F101-V105 PolarHBondContact O-N 3.09Å; F101-I127 HydrophobicContact CD2-CD1 4.12Å; F101-I127 HydrophobicContact CE2-CD1 3.51Å; F101-I127 HydrophobicContact CZ-CD1 3.86Å; F101-Q129 HydrophobicContact CE2-CB 4.38Å; F101-Q129 HydrophobicContact CE2-CG 4.38Å; F101-A132 HydrophobicContact CE2-CB 3.93Å; F101-A132 HydrophobicContact CZ-CB 4.01Å; F101-A135 HydrophobicContact CE1-CB 3.83Å; F101-A135 HydrophobicContact CZ-CB 3.7Å; F101-V136 HydrophobicContact CE1-CG2 4.49Å; F101-V136 HydrophobicContact CZ-CG2 3.88Å; F101-A139 HydrophobicContact CD1-CB 4.47Å; F101-A139 HydrophobicContact CE1-CB 4.27Å
102A95.5Very high89.4Confident6 Ų651.3 Ų51.35%0.0531%0.313CS..Hα-helixtrans-66.3-37.8178.100000111.8V98 S99 K104 V105 Y106 A139V98-A102 HydrophobicContact CG1-CB 3.57Å; S99-A102 WeakPolarHBondContact O-CA 3.43Å; S99-A102 PolarHBondContact O-N 3.24Å; S99-A102 PolarHBondContact OG-N 3.3Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.46Å; A102-V105 WeakPolarHBondContact O-CB 3.46Å; A102-V105 PolarHBondContact O-N 3.45Å; A102-V105 VanDerWaalsContact O-N 3.17Å; A102-Y106 HydrophobicContact CB-CE2 4.06Å; A102-Y106 VanDerWaalsContact O-CD2 3.31Å; A102-Y106 WeakPolarHBondContact O-CD2 3.34Å; A102-Y106 PolarHBondContact O-N 3.34Å; A102-A139 HydrophobicContact CB-CB 4.1Å
103V95.1Very high90Very high20 Ų2053.4 Ų53.412%0.12132%0.323CS..Hα-helixtrans-57.2-46.8172.11780000111V98 S99 E100 V105 Y106 N107V98-V103 HydrophobicContact CB-CG2 4.45Å; V98-V103 HydrophobicContact CG1-CG2 3.8Å; S99-V103 WeakPolarHBondContact O-CG2 3.5Å; S99-V103 PolarHBondContact O-N 3.35Å; E100-V103 PolarHBondContact O-N 3.44Å; V103-V105 VanDerWaalsContact C-N 3.34Å; V103-V105 PolarHBondContact O-N 3.28Å; V103-Y106 PolarHBondContact O-N 3.08Å; V103-N107 WeakPolarHBondContact O-CB 3.47Å; V103-N107 PolarHBondContact O-N 3.35Å; V103-N107 PolarHBondContact O-ND2 3.35Å
104K96.2Very high91.4Very high111 Ų11149 Ų4948%0.48329%0.289SS..Hα-helixtrans-60.3-42.6175.7-73.1175.8177.4177.10112E100 F101 A102 Q108 I127E100-K104 WeakPolarHBondContact O-CG 3.33Å; E100-K104 PolarHBondContact O-N 3.48Å; F101-K104 PolarHBondContact O-N 3.14Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 3.46Å; K104-Q108 WeakPolarHBondContact O-CB 3.36Å; K104-Q108 PolarHBondContact O-N 3.19Å; K104-Q108 VanDerWaalsContact O-N 3.09Å; K104-I127 HydrophobicContact CB-CB 4.29Å; K104-I127 HydrophobicContact CB-CG2 4.2Å; K104-I127 WeakPolarHBondContact O-CG2 3.34Å
105V97.9Very high92.8Very high0 Ų044.3 Ų44.30%027%0.27CS..Hα-helixtrans-59.9-52.7174.9171.80000110.3F101 A102 V103 N107 Q108 L109 V123 I127 V136 A139 V140F101-V105 HydrophobicContact CD1-CG2 4.17Å; F101-V105 HydrophobicContact CE1-CG2 3.73Å; F101-V105 HydrophobicContact CZ-CG2 4.06Å; F101-V105 WeakPolarHBondContact O-CG2 3.49Å; F101-V105 PolarHBondContact O-N 3.09Å; A102-V105 WeakPolarHBondContact O-CB 3.46Å; A102-V105 PolarHBondContact O-N 3.45Å; A102-V105 VanDerWaalsContact O-N 3.17Å; V103-V105 VanDerWaalsContact C-N 3.34Å; V103-V105 PolarHBondContact O-N 3.28Å; V105-N107 PolarHBondContact O-N 3.18Å; V105-Q108 CarbonylContact O-C 3.56Å; V105-Q108 WeakPolarHBondContact O-CA 3.28Å; V105-Q108 WeakPolarHBondContact O-CB 3.45Å; V105-Q108 PolarHBondContact O-N 2.98Å; V105-L109 HydrophobicContact CG1-CD1 4.4Å; V105-L109 HydrophobicContact CG1-CD2 4.46Å; V105-L109 HydrophobicContact CG1-CG 4.25Å; V105-L109 WeakPolarHBondContact O-CG 3.41Å; V105-L109 PolarHBondContact O-N 2.72Å; V105-V123 HydrophobicContact CG1-CG1 4.35Å; V105-I127 HydrophobicContact CG2-CD1 3.83Å; V105-V136 HydrophobicContact CG1-CG1 4.17Å; V105-V136 HydrophobicContact CG2-CG1 4.42Å; V105-V136 HydrophobicContact CG2-CG2 4.08Å; V105-A139 HydrophobicContact CB-CB 4.13Å; V105-A139 HydrophobicContact CG1-CB 4.06Å; V105-A139 HydrophobicContact CG2-CB 4.1Å; V105-V140 HydrophobicContact CG1-CG2 4.02Å
106Y97.2Very high93.9Very high4 Ų446.5 Ų46.52%0.01629%0.285CS..Hα-helixtrans-62.1-42.1-176.7-60-25.3000112.8C90 L91 V98 A102 V103 Q108 L109 C110 A139 V142 N143 I149C90-Y106 HydrophobicContact CB-CD2 4.44Å; C90-Y106 HydrophobicContact CB-CE2 4.49Å; L91-Y106 HydrophobicContact CD2-CD2 4.46Å; V98-Y106 HydrophobicContact CG1-CD2 4.12Å; V98-Y106 HydrophobicContact CG1-CE2 3.63Å; V98-Y106 HydrophobicContact CG2-CE2 4.4Å; A102-Y106 HydrophobicContact CB-CE2 4.06Å; A102-Y106 VanDerWaalsContact O-CD2 3.31Å; A102-Y106 WeakPolarHBondContact O-CD2 3.34Å; A102-Y106 PolarHBondContact O-N 3.34Å; V103-Y106 PolarHBondContact O-N 3.08Å; Y106-Q108 VanDerWaalsContact C-N 3.28Å; Y106-Q108 PolarHBondContact O-N 2.85Å; Y106-L109 HydrophobicContact CD1-CD1 4.28Å; Y106-L109 WeakPolarHBondContact O-CB 3.41Å; Y106-L109 PolarHBondContact O-N 2.99Å; Y106-C110 PolarHBondContact O-N 2.88Å; Y106-C110 PolarHBondContact O-SG 3.03Å; Y106-A139 WeakPolarHBondContact CE1-O 3.41Å; Y106-A139 PolarHBondContact OH-O 2.61Å; Y106-A139 VanDerWaalsContact OH-O 3.14Å; Y106-V142 PolarHBondContact OH-O 3.21Å; Y106-N143 HydrophobicContact CE1-CB 4.11Å; Y106-I149 HydrophobicContact CD1-CG2 4.43Å
107N96.3Very high95Very high81 Ų8147.3 Ų47.343%0.43329%0.292SS..Hα-helixtrans-57.5-43.2171.5-78.5-40.1000111.7V103 V105 L109 C110 A111V103-N107 WeakPolarHBondContact O-CB 3.47Å; V103-N107 PolarHBondContact O-N 3.35Å; V103-N107 PolarHBondContact O-ND2 3.35Å; V105-N107 PolarHBondContact O-N 3.18Å; N107-L109 VanDerWaalsContact C-N 3.29Å; N107-L109 PolarHBondContact O-N 2.77Å; N107-C110 PolarHBondContact O-N 3.27Å; N107-A111 PolarHBondContact O-N 3.42Å
108Q98.1Very high95.6Very high38 Ų3844.3 Ų44.318%0.17826%0.258CS..Hα-helixtrans-67.2-29.4176.1-17652.458.800112.8K104 V105 Y106 A111 V123 K126 I127K104-Q108 WeakPolarHBondContact O-CB 3.36Å; K104-Q108 PolarHBondContact O-N 3.19Å; K104-Q108 VanDerWaalsContact O-N 3.09Å; V105-Q108 CarbonylContact O-C 3.56Å; V105-Q108 WeakPolarHBondContact O-CA 3.28Å; V105-Q108 WeakPolarHBondContact O-CB 3.45Å; V105-Q108 PolarHBondContact O-N 2.98Å; Y106-Q108 VanDerWaalsContact C-N 3.28Å; Y106-Q108 PolarHBondContact O-N 2.85Å; Q108-A111 PolarHBondContact O-N 2.73Å; Q108-V123 HydrophobicContact CB-CG1 4.39Å; Q108-V123 HydrophobicContact CG-CG1 4.04Å; Q108-K126 HydrophobicContact CG-CB 3.98Å; Q108-K126 HydrophobicContact CG-CD 4.33Å; Q108-K126 VanDerWaalsContact NE2-CD 3.29Å; Q108-I127 HydrophobicContact CB-CG2 3.79Å; Q108-I127 HydrophobicContact CG-CG2 4.2Å
109L98.3Very high96Very high0 Ų046.2 Ų46.20%027%0.265CS..Hα-helixtrans-68.5-43.9173.2-58.5-170.8000111.3V105 Y106 N107 A111 I112 V123 V140 I149 P150 C151 V154V105-L109 HydrophobicContact CG1-CD1 4.4Å; V105-L109 HydrophobicContact CG1-CD2 4.46Å; V105-L109 HydrophobicContact CG1-CG 4.25Å; V105-L109 WeakPolarHBondContact O-CG 3.41Å; V105-L109 PolarHBondContact O-N 2.72Å; Y106-L109 HydrophobicContact CD1-CD1 4.28Å; Y106-L109 WeakPolarHBondContact O-CB 3.41Å; Y106-L109 PolarHBondContact O-N 2.99Å; N107-L109 VanDerWaalsContact C-N 3.29Å; N107-L109 PolarHBondContact O-N 2.77Å; L109-A111 PolarHBondContact O-N 2.84Å; L109-I112 HydrophobicContact CB-CD1 4.27Å; L109-I112 HydrophobicContact CD2-CD1 3.81Å; L109-I112 WeakPolarHBondContact O-CB 3.43Å; L109-I112 WeakPolarHBondContact O-CD1 3.33Å; L109-I112 VanDerWaalsContact O-CG1 3.29Å; L109-I112 WeakPolarHBondContact O-CG1 3.21Å; L109-I112 PolarHBondContact O-N 3.13Å; L109-V123 HydrophobicContact CD2-CG1 4.5Å; L109-V123 HydrophobicContact CD2-CG2 4.33Å; L109-V140 HydrophobicContact CD1-CG2 4.14Å; L109-V140 HydrophobicContact CD2-CG2 4.38Å; L109-I149 HydrophobicContact CB-CG2 3.87Å; L109-I149 HydrophobicContact CD1-CG2 3.94Å; L109-I149 HydrophobicContact CG-CG2 4.47Å; L109-P150 WeakPolarHBondContact O-CD 3.48Å; L109-P150 WeakPolarHBondContact O-CG 3.31Å; L109-C151 HydrophobicContact CD1-CB 4.22Å; L109-V154 HydrophobicContact CD2-CG2 3.33Å
110C97.4Very high96.3Very high36 Ų3645.2 Ų45.224%0.24325%0.252CS..Hα-helixtrans-60.6-26.5177.3-62.30000112.6F83 Y106 N107 I112F83-C110 HydrophobicContact CE1-CB 4.41Å; F83-C110 HydrophobicContact CE2-CB 4.45Å; F83-C110 HydrophobicContact CZ-CB 3.78Å; Y106-C110 PolarHBondContact O-N 2.88Å; Y106-C110 PolarHBondContact O-SG 3.03Å; N107-C110 PolarHBondContact O-N 3.27Å; C110-I112 VanDerWaalsContact C-N 3.29Å; C110-I112 PolarHBondContact O-N 3.42Å
111A96.9Very high96.5Very high66 Ų6640.6 Ų40.655%0.54524%0.235SC..THydrogen-bonded Turntrans-78.8-4.6175.300000114.4N107 Q108 L109 P113N107-A111 PolarHBondContact O-N 3.42Å; Q108-A111 PolarHBondContact O-N 2.73Å; L109-A111 PolarHBondContact O-N 2.84Å; A111-P113 WeakPolarHBondContact O-CD 3.32Å
112I96.9Very high96.6Very high9 Ų941.8 Ų41.85%0.04624%0.242CC..SBendtrans-77118.9178-55.6162.8000108.7L109 C110 I118 R153 V154L109-I112 HydrophobicContact CB-CD1 4.27Å; L109-I112 HydrophobicContact CD2-CD1 3.81Å; L109-I112 WeakPolarHBondContact O-CB 3.43Å; L109-I112 WeakPolarHBondContact O-CD1 3.33Å; L109-I112 VanDerWaalsContact O-CG1 3.29Å; L109-I112 WeakPolarHBondContact O-CG1 3.21Å; L109-I112 PolarHBondContact O-N 3.13Å; C110-I112 VanDerWaalsContact C-N 3.29Å; C110-I112 PolarHBondContact O-N 3.42Å; I112-I118 HydrophobicContact CD1-CG2 3.37Å; I112-I118 HydrophobicContact CG1-CG2 3.86Å; I112-R153 HydrophobicContact CD1-CB 4.27Å; I112-R153 HydrophobicContact CG2-CB 3.96Å; I112-R153 HydrophobicContact CG2-CG 4.46Å; I112-R153 PolarHBondContact O-NH1 3.04Å; I112-V154 HydrophobicContact CD1-CG2 4.18Å
113P94.9Very high96.8Very high84 Ų8441.5 Ų41.555%0.54524%0.239SC..PPolyproline II helixtrans-57.9148.5179.6-23.433.9000112.4A111 G115 S116A111-P113 WeakPolarHBondContact O-CD 3.32Å; P113-G115 PolarHBondContact O-N 3.04Å; P113-S116 WeakPolarHBondContact O-CB 3.18Å; P113-S116 PolarHBondContact O-N 3.28Å; P113-S116 VanDerWaalsContact O-N 3.16Å
114F96.1Very high97Very high25 Ų2540.5 Ų40.511%0.1123%0.233CC..THydrogen-bonded Turntrans-53.2138.4170.6-173.9-84.2000110.4Y71 V76 L79 S116 E180 L183 L184Y71-F114 HydrophobicContact CD2-CD2 4.49Å; Y71-F114 AromaticContact CD2-CE2 3.82Å; Y71-F114 HydrophobicContact CD2-CE2 3.82Å; Y71-F114 HydrophobicContact CE2-CD2 4.21Å; Y71-F114 AromaticContact CE2-CE2 3.54Å; Y71-F114 HydrophobicContact CE2-CE2 3.54Å; Y71-F114 HydrophobicContact CE2-CZ 4.49Å; V76-F114 HydrophobicContact CG1-CB 4.1Å; V76-F114 HydrophobicContact CG1-CD1 3.7Å; V76-F114 HydrophobicContact CG1-CD2 4.31Å; V76-F114 HydrophobicContact CG1-CE1 4.13Å; V76-F114 HydrophobicContact CG1-CG 3.79Å; V76-F114 HydrophobicContact CG2-CD1 4.02Å; V76-F114 HydrophobicContact CG2-CE1 3.56Å; V76-F114 HydrophobicContact CG2-CE2 4.27Å; V76-F114 HydrophobicContact CG2-CZ 3.7Å; L79-F114 HydrophobicContact CD1-CD2 3.62Å; L79-F114 HydrophobicContact CD1-CE2 3.78Å; F114-S116 PolarHBondContact O-N 3.26Å; F114-S116 VanDerWaalsContact O-N 3.16Å; F114-E180 HydrophobicContact CD1-CB 4.01Å; F114-E180 HydrophobicContact CD1-CG 4.4Å; F114-E180 HydrophobicContact CD2-CG 4.15Å; F114-E180 VanDerWaalsContact CE1-CA 3.46Å; F114-E180 HydrophobicContact CE1-CB 3.54Å; F114-E180 HydrophobicContact CE1-CG 3.91Å; F114-E180 WeakPolarHBondContact CE1-O 3.47Å; F114-E180 HydrophobicContact CE2-CB 4.23Å; F114-E180 HydrophobicContact CE2-CG 3.63Å; F114-E180 HydrophobicContact CZ-CB 3.67Å; F114-E180 HydrophobicContact CZ-CG 3.49Å; F114-E180 VanDerWaalsContact CZ-CG 3.49Å; F114-L183 HydrophobicContact CE1-CB 4.13Å; F114-L183 HydrophobicContact CE1-CD1 4.33Å; F114-L183 HydrophobicContact CZ-CB 4.48Å; F114-L183 HydrophobicContact CZ-CD1 3.85Å; F114-L184 HydrophobicContact CD1-CD2 4.08Å; F114-L184 HydrophobicContact CD1-CG 4.06Å; F114-L184 HydrophobicContact CE1-CG 4.43Å; F114-L184 WeakPolarHBondContact O-CD1 3.15Å
115G93.9Very high97.1Very high25 Ų2537.9 Ų37.926%0.25823%0.232SC..THydrogen-bonded Turntrans71.12.7179.700000115.5P113 E180P113-G115 PolarHBondContact O-N 3.04Å; G115-E180 PolarHBondContact N-OE2 2.82Å
116S94.8Very high97.1Very high50 Ų5044 Ų4435%0.3526%0.259SS..  trans-104.6154.1174.3-60.50000111.4P113 F114 R153P113-S116 WeakPolarHBondContact O-CB 3.18Å; P113-S116 PolarHBondContact O-N 3.28Å; P113-S116 VanDerWaalsContact O-N 3.16Å; F114-S116 PolarHBondContact O-N 3.26Å; F114-S116 VanDerWaalsContact O-N 3.16Å; S116-R153 WeakPolarHBondContact O-CB 3.38Å; S116-R153 WeakPolarHBondContact O-CD 3.34Å; S116-R153 WeakPolarHBondContact O-CG 3.46Å
117T96.2Very high97.1Very high80 Ų8045 Ų4549%0.49126%0.264SS..  trans-118.4157.5173.856.70000111.3R153 V155 L177T117-R153 VanDerWaalsContact CA-O 3.26Å; T117-R153 WeakPolarHBondContact CA-O 3.31Å; T117-R153 WeakPolarHBondContact CB-O 3.33Å; T117-V155 HydrophobicContact CG2-CG1 4.3Å; T117-L177 HydrophobicContact CG2-CD2 3.62Å
118I97.3Very high97.2Very high14 Ų1443.8 Ų43.87%0.07227%0.271CS..EExtended strand (participates in β ladder)trans-138.3148.5175.1-168.7166.8000110.7I112 E122 V123 K126 R153 V154 V155I112-I118 HydrophobicContact CD1-CG2 3.37Å; I112-I118 HydrophobicContact CG1-CG2 3.86Å; I118-E122 HydrophobicContact CD1-CB 3.95Å; I118-E122 HydrophobicContact CG1-CB 3.6Å; I118-V123 HydrophobicContact CB-CG2 4.5Å; I118-V123 HydrophobicContact CD1-CG2 3.93Å; I118-V123 HydrophobicContact CG1-CG2 4.08Å; I118-V123 HydrophobicContact CG2-CG2 3.62Å; I118-K126 HydrophobicContact CD1-CD 3.78Å; I118-R153 PolarHBondContact N-O 2.8Å; I118-V154 HydrophobicContact CG2-CG2 4.19Å; I118-V154 CarbonylContact O-C 3.52Å; I118-V154 VanDerWaalsContact O-CA 3.3Å; I118-V154 WeakPolarHBondContact O-CA 3.49Å; I118-V155 PolarHBondContact O-N 2.77Å
119H97.7Very high97.2Very high56 Ų5646.8 Ų46.826%0.25929%0.285SS..EExtended strand (participates in β ladder)trans-82150.1174.8-58.5-53.3000113.1S121 E122 V123 V155 P156H119-S121 PolarHBondContact O-N 3.22Å; H119-E122 HydrophobicContact CB-CB 4.49Å; H119-E122 HydrophobicContact CB-CG 4.11Å; H119-E122 VanDerWaalsContact CB-OE2 3.22Å; H119-E122 WeakPolarHBondContact CB-OE2 3.34Å; H119-E122 IonicContact CD2-OE2 3.03Å; H119-E122 PolarHBondContact CD2-OE2 2.98Å; H119-E122 IonicContact CG-OE2 3.31Å; H119-E122 VanDerWaalsContact CG-OE2 3.31Å; H119-E122 PolarHBondContact N-OE2 3.46Å; H119-E122 WeakPolarHBondContact O-CB 3.37Å; H119-E122 PolarHBondContact O-N 3.21Å; H119-V123 PolarHBondContact O-N 3.31Å; H119-V155 VanDerWaalsContact CA-O 3.29Å; H119-V155 WeakPolarHBondContact CA-O 3.23Å; H119-V155 PolarHBondContact ND1-O 2.67Å; H119-P156 PolarHBondContact ND1-O 2.84Å
120Y97.5Very high97.2Very high45 Ų4551 Ų5118%0.17631%0.312CS..Hα-helixtrans-52.7-38.7174.1-68-81.3000113.2E122 A124 V136 V140 V154 V155 P156Y120-E122 VanDerWaalsContact C-N 3.34Å; Y120-A124 WeakPolarHBondContact O-CB 3.16Å; Y120-A124 PolarHBondContact O-N 2.86Å; Y120-V136 HydrophobicContact CD1-CG1 4.15Å; Y120-V140 HydrophobicContact CE1-CB 4.2Å; Y120-V140 HydrophobicContact CE1-CG1 4.18Å; Y120-V140 HydrophobicContact CE1-CG2 4.2Å; Y120-V154 HydrophobicContact CD1-CG1 3.43Å; Y120-V154 VanDerWaalsContact CD1-CG1 3.43Å; Y120-V154 HydrophobicContact CD2-CG1 4.06Å; Y120-V154 HydrophobicContact CE1-CB 4.2Å; Y120-V154 HydrophobicContact CE1-CG1 3.46Å; Y120-V154 VanDerWaalsContact CE1-CG1 3.46Å; Y120-V154 HydrophobicContact CE2-CG1 4.1Å; Y120-V154 HydrophobicContact CG-CG1 3.74Å; Y120-V155 WeakPolarHBondContact CD2-O 3.17Å; Y120-P156 HydrophobicContact CE2-CG 4.13Å
121S97.2Very high97.2Very high45 Ų4559.6 Ų59.632%0.31535%0.345SS..Hα-helixtrans-68.7-31.9176.952.90000113.1H119 A124 A125H119-S121 PolarHBondContact O-N 3.22Å; S121-A124 WeakPolarHBondContact O-CB 3.12Å; S121-A124 PolarHBondContact O-N 3.09Å; S121-A125 PolarHBondContact O-N 2.95Å
122E98.2Very high97.2Very high82 Ų8257.3 Ų57.338%0.38333%0.327SS..Hα-helixtrans-74.8-39.6177.5-66.5175.4101.700111.1I118 H119 Y120 A124 A125 K126I118-E122 HydrophobicContact CD1-CB 3.95Å; I118-E122 HydrophobicContact CG1-CB 3.6Å; H119-E122 HydrophobicContact CB-CB 4.49Å; H119-E122 HydrophobicContact CB-CG 4.11Å; H119-E122 VanDerWaalsContact CB-OE2 3.22Å; H119-E122 WeakPolarHBondContact CB-OE2 3.34Å; H119-E122 IonicContact CD2-OE2 3.03Å; H119-E122 PolarHBondContact CD2-OE2 2.98Å; H119-E122 IonicContact CG-OE2 3.31Å; H119-E122 VanDerWaalsContact CG-OE2 3.31Å; H119-E122 PolarHBondContact N-OE2 3.46Å; H119-E122 WeakPolarHBondContact O-CB 3.37Å; H119-E122 PolarHBondContact O-N 3.21Å; Y120-E122 VanDerWaalsContact C-N 3.34Å; E122-A124 VanDerWaalsContact C-N 3.29Å; E122-A124 PolarHBondContact O-N 3.3Å; E122-A125 PolarHBondContact O-N 3.44Å; E122-K126 WeakPolarHBondContact O-CB 3.28Å; E122-K126 VanDerWaalsContact O-CG 3.32Å; E122-K126 WeakPolarHBondContact O-CG 3.42Å; E122-K126 PolarHBondContact O-N 3.11Å
123V98.6Very high97.2Very high0 Ų058.5 Ų58.50%034%0.337CS..Hα-helixtrans-57.6-46.6169.8176.60000109.8V105 Q108 L109 I118 H119 A125 K126 I127 V136 V154V105-V123 HydrophobicContact CG1-CG1 4.35Å; Q108-V123 HydrophobicContact CB-CG1 4.39Å; Q108-V123 HydrophobicContact CG-CG1 4.04Å; L109-V123 HydrophobicContact CD2-CG1 4.5Å; L109-V123 HydrophobicContact CD2-CG2 4.33Å; I118-V123 HydrophobicContact CB-CG2 4.5Å; I118-V123 HydrophobicContact CD1-CG2 3.93Å; I118-V123 HydrophobicContact CG1-CG2 4.08Å; I118-V123 HydrophobicContact CG2-CG2 3.62Å; H119-V123 PolarHBondContact O-N 3.31Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 2.85Å; V123-K126 PolarHBondContact O-N 2.92Å; V123-I127 WeakPolarHBondContact O-CG1 3.42Å; V123-I127 PolarHBondContact O-N 2.6Å; V123-V136 HydrophobicContact CB-CG1 3.88Å; V123-V136 HydrophobicContact CG1-CG1 3.57Å; V123-V136 HydrophobicContact CG1-CG2 4.29Å; V123-V154 HydrophobicContact CG2-CG1 4.38Å
124A98.6Very high97.2Very high0 Ų065.8 Ų65.80%035%0.354CS..Hα-helixtrans-58-44.2177.700000112Y120 S121 E122 I127 Q129 A133 V136Y120-A124 WeakPolarHBondContact O-CB 3.16Å; Y120-A124 PolarHBondContact O-N 2.86Å; S121-A124 WeakPolarHBondContact O-CB 3.12Å; S121-A124 PolarHBondContact O-N 3.09Å; E122-A124 VanDerWaalsContact C-N 3.29Å; E122-A124 PolarHBondContact O-N 3.3Å; A124-I127 VanDerWaalsContact O-CG1 3.28Å; A124-I127 WeakPolarHBondContact O-CG1 3.5Å; A124-Q129 CarbonylContact C-O 3.5Å; A124-Q129 WeakPolarHBondContact CB-O 3.17Å; A124-Q129 CarbonylContact O-C 3.47Å; A124-Q129 WeakPolarHBondContact O-CA 3.34Å; A124-Q129 PolarHBondContact O-N 2.81Å; A124-A133 HydrophobicContact CB-CB 4.5Å; A124-V136 HydrophobicContact CB-CG2 3.81Å
125A98.5Very high97.3Very high55 Ų5567 Ų6746%0.45537%0.369SS..Hα-helixtrans-64.2-44.3175.200000112.4S121 E122 V123 I127 G128 P130S121-A125 PolarHBondContact O-N 2.95Å; E122-A125 PolarHBondContact O-N 3.44Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 2.85Å; A125-I127 VanDerWaalsContact C-N 3.31Å; A125-I127 PolarHBondContact O-N 2.91Å; A125-G128 PolarHBondContact O-N 3.2Å; A125-P130 HydrophobicContact CB-CB 4.46Å
126K98.5Very high97.5Very high130 Ų13065.9 Ų65.957%0.56536%0.357SS*.Hα-helixtrans-65.3-29.5-178.9-74-178.3-177.8-75.10113.6Q108 I118 E122 V123 G128Q108-K126 HydrophobicContact CG-CB 3.98Å; Q108-K126 HydrophobicContact CG-CD 4.33Å; Q108-K126 VanDerWaalsContact NE2-CD 3.29Å; I118-K126 HydrophobicContact CD1-CD 3.78Å; E122-K126 WeakPolarHBondContact O-CB 3.28Å; E122-K126 VanDerWaalsContact O-CG 3.32Å; E122-K126 WeakPolarHBondContact O-CG 3.42Å; E122-K126 PolarHBondContact O-N 3.11Å; V123-K126 PolarHBondContact O-N 2.92Å; K126-G128 VanDerWaalsContact C-N 3.26Å; K126-G128 PolarHBondContact O-N 2.81Å
127I97.9Very high97.5Very high24 Ų2464.6 Ų64.612%0.12335%0.351CS..THydrogen-bonded Turntrans-85.56.8173.468.7166.8000113.6F101 K104 V105 Q108 V123 A124 A125 Q129 V136F101-I127 HydrophobicContact CD2-CD1 4.12Å; F101-I127 HydrophobicContact CE2-CD1 3.51Å; F101-I127 HydrophobicContact CZ-CD1 3.86Å; K104-I127 HydrophobicContact CB-CB 4.29Å; K104-I127 HydrophobicContact CB-CG2 4.2Å; K104-I127 WeakPolarHBondContact O-CG2 3.34Å; V105-I127 HydrophobicContact CG2-CD1 3.83Å; Q108-I127 HydrophobicContact CB-CG2 3.79Å; Q108-I127 HydrophobicContact CG-CG2 4.2Å; V123-I127 WeakPolarHBondContact O-CG1 3.42Å; V123-I127 PolarHBondContact O-N 2.6Å; A124-I127 VanDerWaalsContact O-CG1 3.28Å; A124-I127 WeakPolarHBondContact O-CG1 3.5Å; A125-I127 VanDerWaalsContact C-N 3.31Å; A125-I127 PolarHBondContact O-N 2.91Å; I127-Q129 HydrophobicContact CD1-CB 4.23Å; I127-Q129 HydrophobicContact CD1-CG 4.47Å; I127-Q129 HydrophobicContact CG1-CB 4.1Å; I127-Q129 HydrophobicContact CG1-CG 4.44Å; I127-V136 HydrophobicContact CD1-CG2 4.25Å
128G98.1Very high97.5Very high55 Ų5562.5 Ų62.557%0.56735%0.346SS*.THydrogen-bonded Turntrans77.417.6-179.700000114.8A125 K126A125-G128 PolarHBondContact O-N 3.2Å; K126-G128 VanDerWaalsContact C-N 3.26Å; K126-G128 PolarHBondContact O-N 2.81Å
129Q97.9Very high97.4Very high102 Ų10262.2 Ų62.248%0.47735%0.345SS..  trans-128.562.8-177.6-65-69.9-300111.2F101 A124 I127 K131 A132F101-Q129 HydrophobicContact CE2-CB 4.38Å; F101-Q129 HydrophobicContact CE2-CG 4.38Å; A124-Q129 CarbonylContact C-O 3.5Å; A124-Q129 WeakPolarHBondContact CB-O 3.17Å; A124-Q129 CarbonylContact O-C 3.47Å; A124-Q129 WeakPolarHBondContact O-CA 3.34Å; A124-Q129 PolarHBondContact O-N 2.81Å; I127-Q129 HydrophobicContact CD1-CB 4.23Å; I127-Q129 HydrophobicContact CD1-CG 4.47Å; I127-Q129 HydrophobicContact CG1-CB 4.1Å; I127-Q129 HydrophobicContact CG1-CG 4.44Å; Q129-K131 PolarHBondContact O-N 3.48Å; Q129-A132 HydrophobicContact CB-CB 3.75Å; Q129-A132 WeakPolarHBondContact O-CB 3.49Å; Q129-A132 PolarHBondContact O-N 3.4Å
130P97.2Very high97.3Very high89 Ų8960.1 Ų60.158%0.57834%0.336SS*.THydrogen-bonded Turntrans-59.9-23.6-167.723.3-34.9000115A125 A132A125-P130 HydrophobicContact CB-CB 4.46Å; P130-A132 VanDerWaalsContact C-N 3.34Å
131K97.7Very high97.1Very high216 Ų21661.1 Ų61.194%0.93935%0.35SS*.THydrogen-bonded Turntrans-85.9-1.4176.9-62.4-176.7-179.2179.40113.7Q129 A133Q129-K131 PolarHBondContact O-N 3.48Å; K131-A133 PolarHBondContact O-N 3.31Å
132A97.5Very high96.8Very high18 Ų1863.4 Ų63.415%0.14936%0.362CS..  trans-95.620.1-170.200000114.7F101 Q129 P130 R134 A135 V136F101-A132 HydrophobicContact CE2-CB 3.93Å; F101-A132 HydrophobicContact CZ-CB 4.01Å; Q129-A132 HydrophobicContact CB-CB 3.75Å; Q129-A132 WeakPolarHBondContact O-CB 3.49Å; Q129-A132 PolarHBondContact O-N 3.4Å; P130-A132 VanDerWaalsContact C-N 3.34Å; A132-R134 VanDerWaalsContact C-N 3.26Å; A132-R134 PolarHBondContact O-N 3.28Å; A132-R134 VanDerWaalsContact O-N 3.15Å; A132-A135 HydrophobicContact CB-CB 4.3Å; A132-A135 WeakPolarHBondContact O-CA 3.29Å; A132-A135 WeakPolarHBondContact O-CB 3.11Å; A132-A135 PolarHBondContact O-N 3.24Å; A132-V136 WeakPolarHBondContact O-CG2 3.46Å; A132-V136 PolarHBondContact O-N 2.87Å
133A96.5Very high96.7Very high33 Ų3360 Ų6027%0.27335%0.347SS..Hα-helixtrans-53.8-38.9-176.400000113.8A124 K131 V136 G137A124-A133 HydrophobicContact CB-CB 4.5Å; K131-A133 PolarHBondContact O-N 3.31Å; A133-V136 PolarHBondContact O-N 3.17Å; A133-G137 PolarHBondContact O-N 3.15Å
134R95.4Very high96.5Very high238 Ų23860.8 Ų60.890%0.89835%0.351SS*.Hα-helixtrans-67.3-41175.7-172.7175.6-177.4172.70.8112.3A132 G137 G138A132-R134 VanDerWaalsContact C-N 3.26Å; A132-R134 PolarHBondContact O-N 3.28Å; A132-R134 VanDerWaalsContact O-N 3.15Å; R134-G137 PolarHBondContact O-N 3.36Å; R134-G138 PolarHBondContact O-N 2.98Å
135A97.5Very high96.4Very high51 Ų5160.8 Ų60.842%0.42135%0.351SS..Hα-helixtrans-67.3-37.8176.700000111.5F101 A132 G137 G138 A139F101-A135 HydrophobicContact CE1-CB 3.83Å; F101-A135 HydrophobicContact CZ-CB 3.7Å; A132-A135 HydrophobicContact CB-CB 4.3Å; A132-A135 WeakPolarHBondContact O-CA 3.29Å; A132-A135 WeakPolarHBondContact O-CB 3.11Å; A132-A135 PolarHBondContact O-N 3.24Å; A135-G137 VanDerWaalsContact C-N 3.32Å; A135-G137 PolarHBondContact O-N 3.2Å; A135-G138 PolarHBondContact O-N 3.22Å; A135-A139 PolarHBondContact O-N 3.19Å
136V98Very high96.3Very high0 Ų058.8 Ų58.80%033%0.334CS..Hα-helixtrans-57.7-46.4169.51750000110.2F101 V105 Y120 V123 A124 I127 A132 A133 G138 A139 V140F101-V136 HydrophobicContact CE1-CG2 4.49Å; F101-V136 HydrophobicContact CZ-CG2 3.88Å; V105-V136 HydrophobicContact CG1-CG1 4.17Å; V105-V136 HydrophobicContact CG2-CG1 4.42Å; V105-V136 HydrophobicContact CG2-CG2 4.08Å; Y120-V136 HydrophobicContact CD1-CG1 4.15Å; V123-V136 HydrophobicContact CB-CG1 3.88Å; V123-V136 HydrophobicContact CG1-CG1 3.57Å; V123-V136 HydrophobicContact CG1-CG2 4.29Å; A124-V136 HydrophobicContact CB-CG2 3.81Å; I127-V136 HydrophobicContact CD1-CG2 4.25Å; A132-V136 WeakPolarHBondContact O-CG2 3.46Å; A132-V136 PolarHBondContact O-N 2.87Å; A133-V136 PolarHBondContact O-N 3.17Å; V136-G138 VanDerWaalsContact C-N 3.28Å; V136-G138 PolarHBondContact O-N 2.89Å; V136-A139 PolarHBondContact O-N 3.48Å; V136-V140 HydrophobicContact CG1-CG2 3.96Å; V136-V140 WeakPolarHBondContact O-CB 3.45Å; V136-V140 WeakPolarHBondContact O-CG2 3.25Å; V136-V140 PolarHBondContact O-N 3.35Å
137G95.9Very high96.1Very high23 Ų2352.6 Ų52.624%0.23731%0.307CS..Hα-helixtrans-55.2-42.617500000113.1A133 R134 A135 S141A133-G137 PolarHBondContact O-N 3.15Å; R134-G137 PolarHBondContact O-N 3.36Å; A135-G137 VanDerWaalsContact C-N 3.32Å; A135-G137 PolarHBondContact O-N 3.2Å; G137-S141 WeakPolarHBondContact O-CB 3.45Å; G137-S141 PolarHBondContact O-N 2.89Å
138G95.4Very high96.1Very high36 Ų3651.7 Ų51.737%0.37130%0.302SS..Hα-helixtrans-59.4-52.1172.800000112.8R134 A135 V136 V140 S141 V142R134-G138 PolarHBondContact O-N 2.98Å; A135-G138 PolarHBondContact O-N 3.22Å; V136-G138 VanDerWaalsContact C-N 3.28Å; V136-G138 PolarHBondContact O-N 2.89Å; G138-V140 PolarHBondContact O-N 2.87Å; G138-S141 PolarHBondContact O-N 2.88Å; G138-S141 PolarHBondContact O-OG 3.49Å; G138-V142 PolarHBondContact O-N 3.5Å
139A95.3Very high96.1Very high8 Ų849.1 Ų49.17%0.06628%0.275CS..Hα-helixtrans-59.7-46.1177.700000112.2F101 A102 V105 Y106 A135 V136 S141 V142 N143F101-A139 HydrophobicContact CD1-CB 4.47Å; F101-A139 HydrophobicContact CE1-CB 4.27Å; A102-A139 HydrophobicContact CB-CB 4.1Å; V105-A139 HydrophobicContact CB-CB 4.13Å; V105-A139 HydrophobicContact CG1-CB 4.06Å; V105-A139 HydrophobicContact CG2-CB 4.1Å; Y106-A139 WeakPolarHBondContact CE1-O 3.41Å; Y106-A139 PolarHBondContact OH-O 2.61Å; Y106-A139 VanDerWaalsContact OH-O 3.14Å; A135-A139 PolarHBondContact O-N 3.19Å; V136-A139 PolarHBondContact O-N 3.48Å; A139-S141 VanDerWaalsContact C-N 3.25Å; A139-S141 PolarHBondContact O-N 2.85Å; A139-V142 CarbonylContact O-C 3.56Å; A139-V142 WeakPolarHBondContact O-CG2 3.41Å; A139-V142 PolarHBondContact O-N 2.96Å; A139-V142 VanDerWaalsContact O-N 3.16Å; A139-N143 PolarHBondContact O-N 3.42Å
140V95.8Very high96.1Very high12 Ų1244.3 Ų44.37%0.07325%0.253CS..Hα-helixtrans-58.2-37.8177172.40000111.5V105 L109 Y120 V136 G138 V142 N143 C151 V154V105-V140 HydrophobicContact CG1-CG2 4.02Å; L109-V140 HydrophobicContact CD1-CG2 4.14Å; L109-V140 HydrophobicContact CD2-CG2 4.38Å; Y120-V140 HydrophobicContact CE1-CB 4.2Å; Y120-V140 HydrophobicContact CE1-CG1 4.18Å; Y120-V140 HydrophobicContact CE1-CG2 4.2Å; V136-V140 HydrophobicContact CG1-CG2 3.96Å; V136-V140 WeakPolarHBondContact O-CB 3.45Å; V136-V140 WeakPolarHBondContact O-CG2 3.25Å; V136-V140 PolarHBondContact O-N 3.35Å; G138-V140 PolarHBondContact O-N 2.87Å; V140-V142 VanDerWaalsContact C-N 3.26Å; V140-V142 PolarHBondContact O-N 2.91Å; V140-N143 WeakPolarHBondContact O-CB 3.39Å; V140-N143 PolarHBondContact O-N 3.23Å; V140-C151 HydrophobicContact CG1-CB 3.79Å; V140-V154 HydrophobicContact CG1-CB 4.46Å; V140-V154 HydrophobicContact CG1-CG2 4.48Å; V140-V154 HydrophobicContact CG2-CG2 4.29Å
141S93.4Very high96Very high67 Ų6740.4 Ų40.447%0.46923%0.228SC..Hα-helixtrans-69.9-20-178.9720000114.6G137 G138 A139G137-S141 WeakPolarHBondContact O-CB 3.45Å; G137-S141 PolarHBondContact O-N 2.89Å; G138-S141 PolarHBondContact O-N 2.88Å; G138-S141 PolarHBondContact O-OG 3.49Å; A139-S141 VanDerWaalsContact C-N 3.25Å; A139-S141 PolarHBondContact O-N 2.85Å
142V92.1Very high95.9Very high93 Ų9330.1 Ų30.156%0.56418%0.183SC*.THydrogen-bonded Turntrans-113.122.1179-580000112.2Y106 G138 A139 V140 P144Y106-V142 PolarHBondContact OH-O 3.21Å; G138-V142 PolarHBondContact O-N 3.5Å; A139-V142 CarbonylContact O-C 3.56Å; A139-V142 WeakPolarHBondContact O-CG2 3.41Å; A139-V142 PolarHBondContact O-N 2.96Å; A139-V142 VanDerWaalsContact O-N 3.16Å; V140-V142 VanDerWaalsContact C-N 3.26Å; V140-V142 PolarHBondContact O-N 2.91Å; V142-P144 VanDerWaalsContact O-CD 3.28Å; V142-P144 WeakPolarHBondContact O-CD 3.18Å; V142-P144 VanDerWaalsContact O-N 3.15Å
143N94.7Very high95.9Very high10 Ų1030 Ų305%0.05318%0.179CC..  trans-55.4115.7173172.223.2000110.2Y106 A139 V140 V145 I149 C151Y106-N143 HydrophobicContact CE1-CB 4.11Å; A139-N143 PolarHBondContact O-N 3.42Å; V140-N143 WeakPolarHBondContact O-CB 3.39Å; V140-N143 PolarHBondContact O-N 3.23Å; N143-V145 VanDerWaalsContact C-N 3.32Å; N143-V145 PolarHBondContact ND2-O 3.01Å; N143-V145 PolarHBondContact O-N 3.38Å; N143-V145 PolarHBondContact OD1-N 2.86Å; N143-V145 VanDerWaalsContact OD1-N 3.09Å; N143-I149 PolarHBondContact ND2-O 3.09Å; N143-C151 HydrophobicContact CB-CB 4.21Å; N143-C151 PolarHBondContact ND2-SG 3.09Å
144P94.6Very high95.9Very high16 Ų1628.5 Ų28.510%0.10417%0.166CC..SBendtrans-78.7-14.3-175.330.1-32.9000113.6S28 L29 C90 V142S28-P144 CarbonylContact C-O 3.05Å; S28-P144 WeakPolarHBondContact CA-O 3.44Å; S28-P144 VanDerWaalsContact CB-O 3.29Å; S28-P144 WeakPolarHBondContact CB-O 3.41Å; L29-P144 PolarHBondContact N-O 3.35Å; C90-P144 HydrophobicContact CB-CG 3.54Å; V142-P144 VanDerWaalsContact O-CD 3.28Å; V142-P144 WeakPolarHBondContact O-CD 3.18Å; V142-P144 VanDerWaalsContact O-N 3.15Å
145V96.4Very high95.9Very high0 Ų017.8 Ų17.80%013%0.127CC..BIsolated β-bridgetrans-122.375.2-176.7-167.80000109V26 L29 F88 N143 I148 I149V26-V145 HydrophobicContact CG1-CG1 3.8Å; V26-V145 HydrophobicContact CG1-CG2 3.95Å; L29-V145 HydrophobicContact CB-CG1 3.82Å; F88-V145 HydrophobicContact CD1-CG1 4.11Å; F88-V145 HydrophobicContact CD1-CG2 4.2Å; F88-V145 HydrophobicContact CE1-CG1 3.98Å; N143-V145 VanDerWaalsContact C-N 3.32Å; N143-V145 PolarHBondContact ND2-O 3.01Å; N143-V145 PolarHBondContact O-N 3.38Å; N143-V145 PolarHBondContact OD1-N 2.86Å; N143-V145 VanDerWaalsContact OD1-N 3.09Å; V145-I148 HydrophobicContact CG1-CB 4.04Å; V145-I148 HydrophobicContact CG1-CD1 4.41Å; V145-I149 HydrophobicContact CB-CD1 3.85Å; V145-I149 HydrophobicContact CB-CG1 3.99Å; V145-I149 HydrophobicContact CG2-CD1 4.18Å; V145-I149 WeakPolarHBondContact O-CB 3.42Å; V145-I149 PolarHBondContact O-N 3.24Å
146T95.5Very high95.8Very high14 Ų1416.6 Ų16.69%0.08612%0.115CC..THydrogen-bonded Turntrans-60.1154.5-178.963.40000111.8L29 F31 I148L29-T146 WeakPolarHBondContact CD2-O 3.44Å; L29-T146 WeakPolarHBondContact O-CB 3.43Å; L29-T146 PolarHBondContact O-N 3.46Å; L29-T146 PolarHBondContact O-OG1 3.32Å; F31-T146 HydrophobicContact CE2-CG2 4.36Å; T146-I148 PolarHBondContact O-N 3.46Å
147L95.9Very high95.4Very high0 Ų024.6 Ų24.60%015%0.15CC..THydrogen-bonded Turntrans66.8-52.4-176.2-16366.3000115.2M17 W67 L68 Y71 F72 L176M17-L147 HydrophobicContact CE-CB 4.01Å; M17-L147 HydrophobicContact CE-CD2 4.21Å; M17-L147 HydrophobicContact SD-CD2 4.02Å; W67-L147 HydrophobicContact CH2-CG 4.42Å; W67-L147 HydrophobicContact CZ3-CD2 4.31Å; W67-L147 HydrophobicContact CZ3-CG 4.14Å; L68-L147 HydrophobicContact CD2-CD2 3.8Å; Y71-L147 HydrophobicContact CD1-CD2 4.19Å; Y71-L147 HydrophobicContact CE1-CD1 3.82Å; Y71-L147 HydrophobicContact CE1-CD2 4.25Å; Y71-L147 HydrophobicContact CE1-CG 4.35Å; Y71-L147 HydrophobicContact CE2-CD1 4.32Å; F72-L147 HydrophobicContact CE2-CD2 3.95Å; F72-L147 HydrophobicContact CZ-CD2 3.73Å; L147-L176 HydrophobicContact CD1-CD1 3.95Å; L147-L176 HydrophobicContact CD1-CD2 3.87Å
148I98Very high95.1Very high5 Ų529.3 Ų29.33%0.02617%0.174CC..THydrogen-bonded Turntrans-70.5-50179.8-61.8175.5000111L29 V64 W67 F83 M86 F88 V145 T146 P150L29-I148 HydrophobicContact CD2-CD1 3.5Å; L29-I148 HydrophobicContact CD2-CG1 3.84Å; V64-I148 HydrophobicContact CG1-CD1 4.11Å; W67-I148 HydrophobicContact CD2-CD1 4.47Å; W67-I148 HydrophobicContact CD2-CG1 3.96Å; W67-I148 HydrophobicContact CE3-CD1 4.21Å; W67-I148 HydrophobicContact CE3-CG1 3.56Å; W67-I148 HydrophobicContact CH2-CB 4.33Å; W67-I148 HydrophobicContact CH2-CG1 3.96Å; W67-I148 HydrophobicContact CZ2-CB 4.47Å; W67-I148 HydrophobicContact CZ2-CG1 4.3Å; W67-I148 HydrophobicContact CZ2-CG2 4.44Å; W67-I148 HydrophobicContact CZ3-CB 4.42Å; W67-I148 HydrophobicContact CZ3-CG1 3.58Å; F83-I148 HydrophobicContact CD2-CG2 3.84Å; F83-I148 HydrophobicContact CE2-CG2 3.88Å; M86-I148 HydrophobicContact CE-CD1 4.39Å; M86-I148 HydrophobicContact SD-CD1 4.04Å; M86-I148 HydrophobicContact SD-CG2 4.47Å; F88-I148 HydrophobicContact CE1-CG2 3.72Å; F88-I148 HydrophobicContact CZ-CG2 3.58Å; V145-I148 HydrophobicContact CG1-CB 4.04Å; V145-I148 HydrophobicContact CG1-CD1 4.41Å; T146-I148 PolarHBondContact O-N 3.46Å; I148-P150 VanDerWaalsContact O-CD 3.28Å; I148-P150 WeakPolarHBondContact O-CD 3.37Å
149I97.3Very high94.4Very high0 Ų031.2 Ų31.20%019%0.194CC..SBendtrans-83107.7163.9-58.2-179.6000105.3Y106 L109 N143 V145 C151Y106-I149 HydrophobicContact CD1-CG2 4.43Å; L109-I149 HydrophobicContact CB-CG2 3.87Å; L109-I149 HydrophobicContact CD1-CG2 3.94Å; L109-I149 HydrophobicContact CG-CG2 4.47Å; N143-I149 PolarHBondContact ND2-O 3.09Å; V145-I149 HydrophobicContact CB-CD1 3.85Å; V145-I149 HydrophobicContact CB-CG1 3.99Å; V145-I149 HydrophobicContact CG2-CD1 4.18Å; V145-I149 WeakPolarHBondContact O-CB 3.42Å; V145-I149 PolarHBondContact O-N 3.24Å; I149-C151 VanDerWaalsContact C-N 3.26Å; I149-C151 PolarHBondContact O-N 3.48Å
150P97Very high94Very high2 Ų233.8 Ų33.81%0.01321%0.212CC..  trans-84.364.4-157.435.6-38.9000112.4L109 I148 H152 R153L109-P150 WeakPolarHBondContact O-CD 3.48Å; L109-P150 WeakPolarHBondContact O-CG 3.31Å; I148-P150 VanDerWaalsContact O-CD 3.28Å; I148-P150 WeakPolarHBondContact O-CD 3.37Å; P150-H152 PolarHBondContact O-N 2.87Å; P150-R153 HydrophobicContact CB-CG 4Å; P150-R153 WeakPolarHBondContact O-CB 3.26Å; P150-R153 PolarHBondContact O-N 3.1Å
151C95.7Very high93.5Very high7 Ų735.7 Ų35.75%0.04722%0.223CC..G310 helixtrans-60.3-24.6178.655.70000113.4L109 V140 N143 I149 R153 V154L109-C151 HydrophobicContact CD1-CB 4.22Å; V140-C151 HydrophobicContact CG1-CB 3.79Å; N143-C151 HydrophobicContact CB-CB 4.21Å; N143-C151 PolarHBondContact ND2-SG 3.09Å; I149-C151 VanDerWaalsContact C-N 3.26Å; I149-C151 PolarHBondContact O-N 3.48Å; C151-R153 PolarHBondContact O-N 2.86Å; C151-V154 PolarHBondContact O-N 3.04Å
152H95.5Very high93.2Very high0 Ų033 Ų330%021%0.206CC..G310 helixtrans-65.9-21.2174.559.6-72.8000113.2P150 V154 Y164 K173 L176 E180P150-H152 PolarHBondContact O-N 2.87Å; H152-V154 VanDerWaalsContact C-N 3.3Å; H152-V154 PolarHBondContact O-N 3.34Å; H152-Y164 HydrophobicContact CB-CE2 3.89Å; H152-K173 HydrophobicContact CB-CG 4Å; H152-K173 WeakPolarHBondContact O-CE 3.42Å; H152-L176 HydrophobicContact CB-CD1 4.27Å; H152-E180 IonicContact CD2-OE1 3.18Å; H152-E180 IonicContact CE1-OE1 2.69Å; H152-E180 IonicContact NE2-OE1 3.33Å; H152-E180 PolarHBondContact NE2-OE1 3.27Å
153R97.3Very high92.9Very high16 Ų1637.3 Ų37.36%0.0621%0.212CC..G310 helixtrans-78.3-10.3176.5-62.9-178.9-169.914512114I112 S116 T117 I118 P150 C151 L177 E180I112-R153 HydrophobicContact CD1-CB 4.27Å; I112-R153 HydrophobicContact CG2-CB 3.96Å; I112-R153 HydrophobicContact CG2-CG 4.46Å; I112-R153 PolarHBondContact O-NH1 3.04Å; S116-R153 WeakPolarHBondContact O-CB 3.38Å; S116-R153 WeakPolarHBondContact O-CD 3.34Å; S116-R153 WeakPolarHBondContact O-CG 3.46Å; T117-R153 VanDerWaalsContact CA-O 3.26Å; T117-R153 WeakPolarHBondContact CA-O 3.31Å; T117-R153 WeakPolarHBondContact CB-O 3.33Å; I118-R153 PolarHBondContact N-O 2.8Å; P150-R153 HydrophobicContact CB-CG 4Å; P150-R153 WeakPolarHBondContact O-CB 3.26Å; P150-R153 PolarHBondContact O-N 3.1Å; C151-R153 PolarHBondContact O-N 2.86Å; R153-L177 HydrophobicContact CG-CD2 4.48Å; R153-E180 IonicContact CZ-OE1 3.35Å; R153-E180 IonicContact CZ-OE2 2.71Å; R153-E180 IonicContact NE-OE1 2.73Å; R153-E180 PolarHBondContact NE-OE1 2.68Å; R153-E180 IonicContact NE-OE2 3.3Å; R153-E180 PolarHBondContact NE-OE2 2.89Å; R153-E180 VanDerWaalsContact NH2-CD 3.3Å; R153-E180 IonicContact NH2-OE1 3.84Å; R153-E180 PolarHBondContact NH2-OE1 3.14Å; R153-E180 IonicContact NH2-OE2 2.97Å; R153-E180 PolarHBondContact NH2-OE2 3.41Å
154V97.4Very high92.4Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-88.7121.5178.2-167.40000110.1L109 I112 I118 Y120 V123 V140 C151 H152 K173L109-V154 HydrophobicContact CD2-CG2 3.33Å; I112-V154 HydrophobicContact CD1-CG2 4.18Å; I118-V154 HydrophobicContact CG2-CG2 4.19Å; I118-V154 CarbonylContact O-C 3.52Å; I118-V154 VanDerWaalsContact O-CA 3.3Å; I118-V154 WeakPolarHBondContact O-CA 3.49Å; Y120-V154 HydrophobicContact CD1-CG1 3.43Å; Y120-V154 VanDerWaalsContact CD1-CG1 3.43Å; Y120-V154 HydrophobicContact CD2-CG1 4.06Å; Y120-V154 HydrophobicContact CE1-CB 4.2Å; Y120-V154 HydrophobicContact CE1-CG1 3.46Å; Y120-V154 VanDerWaalsContact CE1-CG1 3.46Å; Y120-V154 HydrophobicContact CE2-CG1 4.1Å; Y120-V154 HydrophobicContact CG-CG1 3.74Å; V123-V154 HydrophobicContact CG2-CG1 4.38Å; V140-V154 HydrophobicContact CG1-CB 4.46Å; V140-V154 HydrophobicContact CG1-CG2 4.48Å; V140-V154 HydrophobicContact CG2-CG2 4.29Å; C151-V154 PolarHBondContact O-N 3.04Å; H152-V154 VanDerWaalsContact C-N 3.3Å; H152-V154 PolarHBondContact O-N 3.34Å; V154-K173 WeakPolarHBondContact O-CE 3.49Å; V154-K173 PolarHBondContact O-NZ 3.4Å
155V96.2Very high91.9Very high14 Ų1438.8 Ų38.89%0.08522%0.222CC..EExtended strand (participates in β ladder)trans-125.8150.7-174.5-620000112.7T117 I118 H119 Y120 L177T117-V155 HydrophobicContact CG2-CG1 4.3Å; I118-V155 PolarHBondContact O-N 2.77Å; H119-V155 VanDerWaalsContact CA-O 3.29Å; H119-V155 WeakPolarHBondContact CA-O 3.23Å; H119-V155 PolarHBondContact ND1-O 2.67Å; Y120-V155 WeakPolarHBondContact CD2-O 3.17Å; V155-L177 HydrophobicContact CG1-CD1 4.21Å
156P94Very high91Very high26 Ų2646 Ų4617%0.16926%0.255CS..  trans-59.8152.2170-23.333.8000112.8H119 Y120 T158 S160H119-P156 PolarHBondContact ND1-O 2.84Å; Y120-P156 HydrophobicContact CE2-CG 4.13Å; P156-T158 WeakPolarHBondContact CB-OG1 3.17Å; P156-T158 PolarHBondContact O-N 3.3Å; P156-S160 WeakPolarHBondContact CD-O 3.49Å
157K91Very high90.4Very high168 Ų16846.6 Ų46.673%0.7326%0.264SS*.THydrogen-bonded Turntrans-71.1-13.6172.3-165.9173.6-178.9179.20112.9G159K157-G159 PolarHBondContact O-N 3.06Å
158T87.9Confident89.8Confident121 Ų12152.6 Ų52.674%0.74229%0.29SS*.THydrogen-bonded Turntrans-70.9-4.4-179.758.80000113.7P156 S160P156-T158 WeakPolarHBondContact CB-OG1 3.17Å; P156-T158 PolarHBondContact O-N 3.3Å; T158-S160 VanDerWaalsContact C-N 3.33Å; T158-S160 PolarHBondContact OG1-OG 3.35Å
159G80.8Confident89.4Confident76 Ų7652.5 Ų52.578%0.78429%0.289SS*.SBendtrans84.3-0.3-17900000114.9K157K157-G159 PolarHBondContact O-N 3.06Å
160S87.4Confident89Confident63 Ų6354.4 Ų54.444%0.44130%0.3SS..SBendtrans-81.2160.9170.169.10000111P156 T158 G162P156-S160 WeakPolarHBondContact CD-O 3.49Å; T158-S160 VanDerWaalsContact C-N 3.33Å; T158-S160 PolarHBondContact OG1-OG 3.35Å; S160-G162 PolarHBondContact O-N 3.06Å; S160-G162 PolarHBondContact OG-N 2.92Å
161V86.2Confident88.6Confident51 Ų5158.9 Ų58.931%0.30932%0.32SS..  trans-67-18.2171.6-64.40000112.3K173 K174V161-K173 WeakPolarHBondContact O-CD 3.46Å; V161-K173 WeakPolarHBondContact O-CE 3.48Å; V161-K173 PolarHBondContact O-NZ 2.85Å; V161-K174 HydrophobicContact CG1-CB 4.21Å; V161-K174 HydrophobicContact CG1-CG 4.27Å
162G86.2Confident88.4Confident10 Ų1058.6 Ų58.610%0.10332%0.318CS..  trans71.4178.9-175.400000113.3S160S160-G162 PolarHBondContact O-N 3.06Å; S160-G162 PolarHBondContact OG-N 2.92Å
163R86.3Confident88.3Confident184 Ų18458.6 Ų58.669%0.69432%0.318SS*.  trans-79.1150.5-178.6-62.9-176.6-178.7-81.73.5112D170R163-D170 VanDerWaalsContact CA-OD1 3.26Å; R163-D170 WeakPolarHBondContact CA-OD1 3.37Å
164Y84.7Confident88Confident13 Ų1361.7 Ų61.75%0.05133%0.332CS..SBendtrans-138.9132.4174.5-159.1-129.2000110.3F31 H152 H166 G167 K168 L169 D170 L172 K173F31-Y164 HydrophobicContact CD2-CE1 4.48Å; F31-Y164 AromaticContact CE2-CE1 3.51Å; F31-Y164 HydrophobicContact CE2-CE1 3.51Å; F31-Y164 AromaticContact CE2-CZ 3.75Å; F31-Y164 WeakPolarHBondContact CE2-OH 3.39Å; F31-Y164 HydrophobicContact CZ-CE1 4.08Å; F31-Y164 WeakPolarHBondContact CZ-OH 3.38Å; H152-Y164 HydrophobicContact CB-CE2 3.89Å; Y164-H166 VanDerWaalsContact C-N 3.29Å; Y164-H166 PolarHBondContact O-N 3.43Å; Y164-G167 PolarHBondContact O-N 3.21Å; Y164-K168 PolarHBondContact O-N 3.16Å; Y164-L169 HydrophobicContact CD1-CB 3.7Å; Y164-L169 WeakPolarHBondContact CD1-O 3.45Å; Y164-L169 HydrophobicContact CE1-CB 4.48Å; Y164-L169 PolarHBondContact O-N 3.41Å; Y164-D170 PolarHBondContact N-OD1 2.82Å; Y164-L172 HydrophobicContact CE1-CD2 4.06Å; Y164-L172 HydrophobicContact CE1-CG 4.35Å; Y164-K173 HydrophobicContact CD1-CB 3.87Å; Y164-K173 HydrophobicContact CD2-CB 4.28Å; Y164-K173 HydrophobicContact CD2-CD 4.03Å; Y164-K173 HydrophobicContact CD2-CG 4.38Å; Y164-K173 HydrophobicContact CG-CB 3.71Å; Y164-K173 HydrophobicContact CG-CD 4.1Å; Y164-K173 HydrophobicContact CG-CG 4.28Å
165S83.1Confident87.7Confident45 Ų4563 Ų6332%0.31534%0.34SS..G310 helixtrans46.852.6-174.8-590000112.6G167 K168S165-G167 VanDerWaalsContact C-N 3.26Å; S165-G167 PolarHBondContact O-N 2.9Å; S165-K168 WeakPolarHBondContact O-CB 3.38Å; S165-K168 PolarHBondContact O-N 3.42Å
166H77.8Confident87.6Confident151 Ų15162.3 Ų62.370%0.69934%0.336SS*.G310 helixtrans61.425.3-177.7-52.395.8000115.3Y164Y164-H166 VanDerWaalsContact C-N 3.29Å; Y164-H166 PolarHBondContact O-N 3.43Å
167G81.6Confident87.5Confident26 Ų2662.3 Ų62.327%0.26834%0.335SS..G310 helixtrans96.1-8179.800000114Y164 S165 L169 D170Y164-G167 PolarHBondContact O-N 3.21Å; S165-G167 VanDerWaalsContact C-N 3.26Å; S165-G167 PolarHBondContact O-N 2.9Å; G167-L169 VanDerWaalsContact C-N 3.35Å; G167-D170 VanDerWaalsContact CA-OD1 3.26Å; G167-D170 WeakPolarHBondContact CA-OD1 3.44Å
168K84Confident87.5Confident126 Ų12659.9 Ų59.955%0.54833%0.325SS..THydrogen-bonded Turntrans-75.1-26.7-176.5-65.4-177179.6-179.90113.1N34 Y164 S165N34-K168 HydrophobicContact CB-CD 4.46Å; Y164-K168 PolarHBondContact O-N 3.16Å; S165-K168 WeakPolarHBondContact O-CB 3.38Å; S165-K168 PolarHBondContact O-N 3.42Å
169L89.3Confident87.7Confident4 Ų454.3 Ų54.32%0.02129%0.291CS..THydrogen-bonded Turntrans-124.828.9-171-60.7-176.8000111.7F31 F33 F36 Y164 G167 E171 L172 K173F31-L169 HydrophobicContact CB-CD1 4.22Å; F31-L169 HydrophobicContact CD2-CD1 3.57Å; F31-L169 HydrophobicContact CE2-CD1 4.28Å; F31-L169 HydrophobicContact CG-CD1 4.12Å; F33-L169 HydrophobicContact CD2-CD1 4.48Å; F33-L169 HydrophobicContact CD2-CD2 3.99Å; F33-L169 HydrophobicContact CE2-CD1 4.08Å; F33-L169 HydrophobicContact CE2-CD2 3.92Å; F36-L169 HydrophobicContact CB-CD2 4.03Å; Y164-L169 HydrophobicContact CD1-CB 3.7Å; Y164-L169 WeakPolarHBondContact CD1-O 3.45Å; Y164-L169 HydrophobicContact CE1-CB 4.48Å; Y164-L169 PolarHBondContact O-N 3.41Å; G167-L169 VanDerWaalsContact C-N 3.35Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 2.93Å; L169-L172 HydrophobicContact CB-CB 4.07Å; L169-L172 HydrophobicContact CB-CD2 4.31Å; L169-L172 HydrophobicContact CD1-CD2 4.05Å; L169-L172 WeakPolarHBondContact O-CB 3.38Å; L169-L172 PolarHBondContact O-N 2.8Å; L169-L172 VanDerWaalsContact O-N 3.07Å; L169-K173 PolarHBondContact O-N 3.21Å
170D90.2Very high88.4Confident40 Ų4050.7 Ų50.721%0.21425%0.254CS..Hα-helixtrans-59.8-40.6-178.8-69.91.2000111.6R163 Y164 G167 L172 K173 K174R163-D170 VanDerWaalsContact CA-OD1 3.26Å; R163-D170 WeakPolarHBondContact CA-OD1 3.37Å; Y164-D170 PolarHBondContact N-OD1 2.82Å; G167-D170 VanDerWaalsContact CA-OD1 3.26Å; G167-D170 WeakPolarHBondContact CA-OD1 3.44Å; D170-L172 VanDerWaalsContact C-N 3.35Å; D170-L172 PolarHBondContact O-N 3.09Å; D170-K173 WeakPolarHBondContact O-CB 3.28Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-K174 PolarHBondContact O-N 3.41Å; D170-K174 VanDerWaalsContact O-N 3.08Å
171E88.6Confident88.6Confident96 Ų9649.5 Ų49.545%0.44925%0.248SC..Hα-helixtrans-66.6-33.9174.6-70.1-54.2126.600112.5F36 L169 K174 T175F36-E171 HydrophobicContact CD1-CB 4.22Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 2.93Å; E171-K174 PolarHBondContact O-N 2.97Å; E171-K174 IonicContact OE2-NZ 3.74Å; E171-T175 WeakPolarHBondContact O-CB 3.47Å; E171-T175 PolarHBondContact O-N 3.39Å; E171-T175 PolarHBondContact O-OG1 2.81Å
172L91.6Very high88.7Confident0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-62.9-46.8172.817361.8000110.3I14 F31 F33 F36 Y164 L169 D170 K174 T175 L176I14-L172 HydrophobicContact CB-CD1 3.8Å; I14-L172 HydrophobicContact CD1-CD1 4.08Å; I14-L172 HydrophobicContact CD1-CD2 4.39Å; I14-L172 HydrophobicContact CG2-CD1 3.68Å; F31-L172 HydrophobicContact CD1-CD2 4.42Å; F31-L172 HydrophobicContact CD2-CD2 4.28Å; F31-L172 HydrophobicContact CE1-CD2 4.12Å; F31-L172 HydrophobicContact CE2-CD2 3.96Å; F31-L172 HydrophobicContact CZ-CD2 3.87Å; F33-L172 HydrophobicContact CE2-CD2 3.98Å; F33-L172 HydrophobicContact CZ-CD2 4Å; F36-L172 HydrophobicContact CB-CB 3.98Å; F36-L172 HydrophobicContact CD1-CB 3.92Å; F36-L172 HydrophobicContact CD2-CB 4.15Å; F36-L172 HydrophobicContact CD2-CD1 3.82Å; F36-L172 HydrophobicContact CD2-CG 4.45Å; F36-L172 HydrophobicContact CE1-CB 4.44Å; F36-L172 HydrophobicContact CE2-CD1 3.71Å; F36-L172 HydrophobicContact CG-CB 3.75Å; F36-L172 HydrophobicContact CG-CD1 4.28Å; F36-L172 HydrophobicContact CZ-CD1 4.07Å; Y164-L172 HydrophobicContact CE1-CD2 4.06Å; Y164-L172 HydrophobicContact CE1-CG 4.35Å; L169-L172 HydrophobicContact CB-CB 4.07Å; L169-L172 HydrophobicContact CB-CD2 4.31Å; L169-L172 HydrophobicContact CD1-CD2 4.05Å; L169-L172 WeakPolarHBondContact O-CB 3.38Å; L169-L172 PolarHBondContact O-N 2.8Å; L169-L172 VanDerWaalsContact O-N 3.07Å; D170-L172 VanDerWaalsContact C-N 3.35Å; D170-L172 PolarHBondContact O-N 3.09Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.17Å; L172-T175 PolarHBondContact O-N 2.88Å; L172-T175 VanDerWaalsContact O-N 3.09Å; L172-L176 HydrophobicContact CD1-CD1 4.05Å; L172-L176 HydrophobicContact CD1-CD2 4.32Å; L172-L176 HydrophobicContact CD1-CG 3.88Å; L172-L176 HydrophobicContact CG-CD1 3.94Å; L172-L176 HydrophobicContact CG-CG 4.23Å; L172-L176 WeakPolarHBondContact O-CG 3.38Å; L172-L176 PolarHBondContact O-N 2.71Å
173K92.9Very high88.9Confident0 Ų051.6 Ų51.60%025%0.249CC..Hα-helixtrans-56.3-47.5177.9-178.2175.7-174.6-175.50111.4H152 V154 V161 Y164 L169 D170 T175 L176 L177H152-K173 HydrophobicContact CB-CG 4Å; H152-K173 WeakPolarHBondContact O-CE 3.42Å; V154-K173 WeakPolarHBondContact O-CE 3.49Å; V154-K173 PolarHBondContact O-NZ 3.4Å; V161-K173 WeakPolarHBondContact O-CD 3.46Å; V161-K173 WeakPolarHBondContact O-CE 3.48Å; V161-K173 PolarHBondContact O-NZ 2.85Å; Y164-K173 HydrophobicContact CD1-CB 3.87Å; Y164-K173 HydrophobicContact CD2-CB 4.28Å; Y164-K173 HydrophobicContact CD2-CD 4.03Å; Y164-K173 HydrophobicContact CD2-CG 4.38Å; Y164-K173 HydrophobicContact CG-CB 3.71Å; Y164-K173 HydrophobicContact CG-CD 4.1Å; Y164-K173 HydrophobicContact CG-CG 4.28Å; L169-K173 PolarHBondContact O-N 3.21Å; D170-K173 WeakPolarHBondContact O-CB 3.28Å; D170-K173 PolarHBondContact O-N 2.94Å; K173-T175 VanDerWaalsContact C-N 3.32Å; K173-T175 PolarHBondContact O-N 2.92Å; K173-L176 PolarHBondContact O-N 3.38Å; K173-L177 HydrophobicContact CG-CD1 4.32Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.46Å; K173-L177 PolarHBondContact O-N 2.92Å
174K91.3Very high88.8Confident81 Ų8145.7 Ų45.735%0.35223%0.231SC..Hα-helixtrans-59.4-43.5175.9-177.8179.7170.9-166.20111.7V161 D170 E171 L172 L177 H178V161-K174 HydrophobicContact CG1-CB 4.21Å; V161-K174 HydrophobicContact CG1-CG 4.27Å; D170-K174 PolarHBondContact O-N 3.41Å; D170-K174 VanDerWaalsContact O-N 3.08Å; E171-K174 PolarHBondContact O-N 2.97Å; E171-K174 IonicContact OE2-NZ 3.74Å; L172-K174 VanDerWaalsContact C-N 3.31Å; L172-K174 PolarHBondContact O-N 3.17Å; K174-L177 PolarHBondContact O-N 3.42Å; K174-H178 PolarHBondContact O-N 2.79Å; K174-H178 PolarHBondContact O-ND1 3.08Å
175T90.7Very high88.5Confident27 Ų2751.8 Ų51.817%0.16626%0.258CS..Hα-helixtrans-66.2-42.7179.9-50.70000111.7F36 V44 E171 L172 K173 H178 F179F36-T175 HydrophobicContact CE1-CG2 4.32Å; F36-T175 WeakPolarHBondContact CE1-OG1 3.18Å; F36-T175 HydrophobicContact CZ-CG2 4.13Å; V44-T175 HydrophobicContact CG2-CG2 3.29Å; E171-T175 WeakPolarHBondContact O-CB 3.47Å; E171-T175 PolarHBondContact O-N 3.39Å; E171-T175 PolarHBondContact O-OG1 2.81Å; L172-T175 PolarHBondContact O-N 2.88Å; L172-T175 VanDerWaalsContact O-N 3.09Å; K173-T175 VanDerWaalsContact C-N 3.32Å; K173-T175 PolarHBondContact O-N 2.92Å; T175-H178 PolarHBondContact O-N 2.9Å; T175-F179 WeakPolarHBondContact O-CB 3.34Å; T175-F179 PolarHBondContact O-N 2.94Å
176L93.2Very high87.5Confident0 Ų055.3 Ų55.30%027%0.267CS..Hα-helixtrans-61-45.3174.7-69.6172.4000111.6I14 V44 Y71 L147 H152 L172 K173 H178 F179 E180I14-L176 HydrophobicContact CD1-CD2 4.48Å; I14-L176 HydrophobicContact CG2-CD2 4.47Å; V44-L176 HydrophobicContact CG1-CD2 4.25Å; Y71-L176 HydrophobicContact CE1-CD2 4.14Å; L147-L176 HydrophobicContact CD1-CD1 3.95Å; L147-L176 HydrophobicContact CD1-CD2 3.87Å; H152-L176 HydrophobicContact CB-CD1 4.27Å; L172-L176 HydrophobicContact CD1-CD1 4.05Å; L172-L176 HydrophobicContact CD1-CD2 4.32Å; L172-L176 HydrophobicContact CD1-CG 3.88Å; L172-L176 HydrophobicContact CG-CD1 3.94Å; L172-L176 HydrophobicContact CG-CG 4.23Å; L172-L176 WeakPolarHBondContact O-CG 3.38Å; L172-L176 PolarHBondContact O-N 2.71Å; K173-L176 PolarHBondContact O-N 3.38Å; L176-H178 VanDerWaalsContact C-N 3.35Å; L176-H178 PolarHBondContact O-N 2.82Å; L176-F179 WeakPolarHBondContact O-CB 3.44Å; L176-F179 PolarHBondContact O-N 2.9Å; L176-E180 WeakPolarHBondContact O-CG 3.5Å; L176-E180 PolarHBondContact O-N 2.97Å
177L93.4Very high86.5Confident27 Ų2753.1 Ų53.114%0.14126%0.256CS..Hα-helixtrans-60.3-43.9176.8-71173.8000112.1T117 R153 V155 K173 K174 A181T117-L177 HydrophobicContact CG2-CD2 3.62Å; R153-L177 HydrophobicContact CG-CD2 4.48Å; V155-L177 HydrophobicContact CG1-CD1 4.21Å; K173-L177 HydrophobicContact CG-CD1 4.32Å; K173-L177 VanDerWaalsContact O-CG 3.31Å; K173-L177 WeakPolarHBondContact O-CG 3.46Å; K173-L177 PolarHBondContact O-N 2.92Å; K174-L177 PolarHBondContact O-N 3.42Å; L177-A181 WeakPolarHBondContact O-CB 3.44Å; L177-A181 PolarHBondContact O-N 2.69Å; L177-A181 VanDerWaalsContact O-N 3.09Å
178H91Very high85.4Confident116 Ų11657 Ų5754%0.53727%0.274SS..Hα-helixtrans-65.8-39.4175.5-68.7146.4000112.7K174 T175 L176 A181 R182K174-H178 PolarHBondContact O-N 2.79Å; K174-H178 PolarHBondContact O-ND1 3.08Å; T175-H178 PolarHBondContact O-N 2.9Å; L176-H178 VanDerWaalsContact C-N 3.35Å; L176-H178 PolarHBondContact O-N 2.82Å; H178-A181 PolarHBondContact O-N 3.13Å; H178-R182 VanDerWaalsContact O-CB 3.24Å; H178-R182 WeakPolarHBondContact O-CB 3.43Å; H178-R182 PolarHBondContact O-N 2.89Å
179F91.8Very high84.1Confident4 Ų458.8 Ų58.82%0.01828%0.282CS..Hα-helixtrans-58.7-52.1176.8172.4-114.4000111.4E43 V44 A45 Y71 T175 L176 A181 R182 L183E43-F179 WeakPolarHBondContact O-CD2 3.32Å; V44-F179 HydrophobicContact CB-CB 3.94Å; V44-F179 HydrophobicContact CB-CD1 4.28Å; V44-F179 HydrophobicContact CB-CD2 3.69Å; V44-F179 HydrophobicContact CB-CE2 4.21Å; V44-F179 HydrophobicContact CB-CG 3.71Å; V44-F179 HydrophobicContact CG1-CB 4.11Å; V44-F179 HydrophobicContact CG1-CD1 3.67Å; V44-F179 HydrophobicContact CG1-CD2 3.95Å; V44-F179 HydrophobicContact CG1-CE1 3.99Å; V44-F179 HydrophobicContact CG1-CE2 4.25Å; V44-F179 HydrophobicContact CG1-CG 3.63Å; V44-F179 HydrophobicContact CG1-CZ 4.25Å; V44-F179 HydrophobicContact CG2-CB 4.27Å; A45-F179 HydrophobicContact CB-CE2 4.07Å; Y71-F179 AromaticContact CD1-CE1 3.96Å; Y71-F179 HydrophobicContact CD1-CE1 3.96Å; Y71-F179 AromaticContact CE1-CD1 3.86Å; Y71-F179 HydrophobicContact CE1-CD1 3.86Å; Y71-F179 AromaticContact CE1-CE1 3.61Å; Y71-F179 HydrophobicContact CE1-CE1 3.61Å; Y71-F179 WeakPolarHBondContact O-CE1 3.38Å; Y71-F179 WeakPolarHBondContact O-CZ 3.37Å; T175-F179 WeakPolarHBondContact O-CB 3.34Å; T175-F179 PolarHBondContact O-N 2.94Å; L176-F179 WeakPolarHBondContact O-CB 3.44Å; L176-F179 PolarHBondContact O-N 2.9Å; F179-A181 PolarHBondContact O-N 2.86Å; F179-R182 PolarHBondContact O-N 3.2Å; F179-L183 HydrophobicContact CD1-CD1 4.23Å; F179-L183 HydrophobicContact CD2-CD1 4.21Å; F179-L183 HydrophobicContact CD2-CG 4.43Å; F179-L183 HydrophobicContact CE1-CD1 3.64Å; F179-L183 HydrophobicContact CE2-CD1 3.63Å; F179-L183 HydrophobicContact CE2-CD2 4.47Å; F179-L183 HydrophobicContact CE2-CG 4.07Å; F179-L183 HydrophobicContact CG-CD1 4.5Å; F179-L183 HydrophobicContact CZ-CD1 3.32Å; F179-L183 HydrophobicContact CZ-CG 4.26Å; F179-L183 PolarHBondContact O-N 3.45Å; F179-L183 VanDerWaalsContact O-N 3.08Å
180E94.5Very high82.3Confident0 Ų065.2 Ų65.20%032%0.315CS..Hα-helixtrans-63.3-44.3179.8-62.3-170.6-179.700112Y71 F114 G115 H152 R153 L176 R182 L183 L184Y71-E180 HydrophobicContact CE2-CG 4.29Å; Y71-E180 WeakPolarHBondContact CE2-OE1 3.44Å; Y71-E180 WeakPolarHBondContact OH-CG 3.37Å; Y71-E180 PolarHBondContact OH-OE1 3.16Å; F114-E180 HydrophobicContact CD1-CB 4.01Å; F114-E180 HydrophobicContact CD1-CG 4.4Å; F114-E180 HydrophobicContact CD2-CG 4.15Å; F114-E180 VanDerWaalsContact CE1-CA 3.46Å; F114-E180 HydrophobicContact CE1-CB 3.54Å; F114-E180 HydrophobicContact CE1-CG 3.91Å; F114-E180 WeakPolarHBondContact CE1-O 3.47Å; F114-E180 HydrophobicContact CE2-CB 4.23Å; F114-E180 HydrophobicContact CE2-CG 3.63Å; F114-E180 HydrophobicContact CZ-CB 3.67Å; F114-E180 HydrophobicContact CZ-CG 3.49Å; F114-E180 VanDerWaalsContact CZ-CG 3.49Å; G115-E180 PolarHBondContact N-OE2 2.82Å; H152-E180 IonicContact CD2-OE1 3.18Å; H152-E180 IonicContact CE1-OE1 2.69Å; H152-E180 IonicContact NE2-OE1 3.33Å; H152-E180 PolarHBondContact NE2-OE1 3.27Å; R153-E180 IonicContact CZ-OE1 3.35Å; R153-E180 IonicContact CZ-OE2 2.71Å; R153-E180 IonicContact NE-OE1 2.73Å; R153-E180 PolarHBondContact NE-OE1 2.68Å; R153-E180 IonicContact NE-OE2 3.3Å; R153-E180 PolarHBondContact NE-OE2 2.89Å; R153-E180 VanDerWaalsContact NH2-CD 3.3Å; R153-E180 IonicContact NH2-OE1 3.84Å; R153-E180 PolarHBondContact NH2-OE1 3.14Å; R153-E180 IonicContact NH2-OE2 2.97Å; R153-E180 PolarHBondContact NH2-OE2 3.41Å; L176-E180 WeakPolarHBondContact O-CG 3.5Å; L176-E180 PolarHBondContact O-N 2.97Å; E180-R182 VanDerWaalsContact C-N 3.31Å; E180-R182 PolarHBondContact O-N 3.3Å; E180-L183 PolarHBondContact O-N 3.41Å; E180-L184 PolarHBondContact O-N 2.96Å
181A91.6Very high80Confident39 Ų3969.2 Ų69.232%0.32234%0.341SS..Hα-helixtrans-61.9-37.8177.600000112.4L177 H178 F179 K185L177-A181 WeakPolarHBondContact O-CB 3.44Å; L177-A181 PolarHBondContact O-N 2.69Å; L177-A181 VanDerWaalsContact O-N 3.09Å; H178-A181 PolarHBondContact O-N 3.13Å; F179-A181 PolarHBondContact O-N 2.86Å; A181-K185 WeakPolarHBondContact O-CG 3.34Å; A181-K185 PolarHBondContact O-N 3.25Å; A181-K185 VanDerWaalsContact O-N 3.12Å
182R89.7Confident77.8Confident76 Ų7674.2 Ų74.229%0.28738%0.378SS..Hα-helixtrans-67.2-43.2178.1-179.7176.264.894.82.8112E43 H178 F179 E180 L184 K185 K186E43-R182 PolarHBondContact O-NH2 2.93Å; H178-R182 VanDerWaalsContact O-CB 3.24Å; H178-R182 WeakPolarHBondContact O-CB 3.43Å; H178-R182 PolarHBondContact O-N 2.89Å; F179-R182 PolarHBondContact O-N 3.2Å; E180-R182 VanDerWaalsContact C-N 3.31Å; E180-R182 PolarHBondContact O-N 3.3Å; R182-L184 VanDerWaalsContact C-N 3.31Å; R182-L184 PolarHBondContact O-N 2.8Å; R182-K185 PolarHBondContact O-N 3.45Å; R182-K186 PolarHBondContact O-N 3.19Å; R182-K186 VanDerWaalsContact O-N 3.09Å
183L89Confident77.1Confident28 Ų2878 Ų7815%0.14740%0.397CS..Hα-helixtrans-62.4-39177.9-74.2175.8000111.9V76 F114 F179 E180 K186 K187V76-L183 HydrophobicContact CG2-CB 4.28Å; V76-L183 HydrophobicContact CG2-CD1 4.29Å; F114-L183 HydrophobicContact CE1-CB 4.13Å; F114-L183 HydrophobicContact CE1-CD1 4.33Å; F114-L183 HydrophobicContact CZ-CB 4.48Å; F114-L183 HydrophobicContact CZ-CD1 3.85Å; F179-L183 HydrophobicContact CD1-CD1 4.23Å; F179-L183 HydrophobicContact CD2-CD1 4.21Å; F179-L183 HydrophobicContact CD2-CG 4.43Å; F179-L183 HydrophobicContact CE1-CD1 3.64Å; F179-L183 HydrophobicContact CE2-CD1 3.63Å; F179-L183 HydrophobicContact CE2-CD2 4.47Å; F179-L183 HydrophobicContact CE2-CG 4.07Å; F179-L183 HydrophobicContact CG-CD1 4.5Å; F179-L183 HydrophobicContact CZ-CD1 3.32Å; F179-L183 HydrophobicContact CZ-CG 4.26Å; F179-L183 PolarHBondContact O-N 3.45Å; F179-L183 VanDerWaalsContact O-N 3.08Å; E180-L183 PolarHBondContact O-N 3.41Å; L183-K186 PolarHBondContact O-N 2.71Å; L183-K187 PolarHBondContact O-N 3.47Å
184L84.6Confident76.2Confident60 Ų6082.1 Ų82.131%0.31442%0.418SS..Hα-helixtrans-66.6-40.6173.7-70.7-170.6000113.1V76 F114 E180 R182 K186 K187 V188V76-L184 HydrophobicContact CG1-CD2 4.46Å; F114-L184 HydrophobicContact CD1-CD2 4.08Å; F114-L184 HydrophobicContact CD1-CG 4.06Å; F114-L184 HydrophobicContact CE1-CG 4.43Å; F114-L184 WeakPolarHBondContact O-CD1 3.15Å; E180-L184 PolarHBondContact O-N 2.96Å; R182-L184 VanDerWaalsContact C-N 3.31Å; R182-L184 PolarHBondContact O-N 2.8Å; L184-K186 PolarHBondContact O-N 3.4Å; L184-K187 WeakPolarHBondContact O-CB 3.35Å; L184-K187 PolarHBondContact O-N 2.94Å; L184-V188 PolarHBondContact O-N 3.38Å
185K78.4Confident75.4Confident141 Ų14182.1 Ų82.161%0.61342%0.422SS*.Hα-helixtrans-59-45.9176.1-75.6180-178.3-177.30111.4A181 R182 K187 V188 F189A181-K185 WeakPolarHBondContact O-CG 3.34Å; A181-K185 PolarHBondContact O-N 3.25Å; A181-K185 VanDerWaalsContact O-N 3.12Å; R182-K185 PolarHBondContact O-N 3.45Å; K185-K187 PolarHBondContact O-N 3.42Å; K185-V188 PolarHBondContact O-N 2.97Å; K185-V188 VanDerWaalsContact O-N 3.09Å; K185-F189 HydrophobicContact CB-CE2 4.48Å; K185-F189 WeakPolarHBondContact O-CD2 3.24Å; K185-F189 PolarHBondContact O-N 3.07Å
186K61.4Low74.5Confident119 Ų11985.4 Ų85.452%0.51744%0.437SS..Hα-helixtrans-56.6-36.6177.2-74.9-171.9175.4-172.10112.4R182 L183 L184 F189 I190R182-K186 PolarHBondContact O-N 3.19Å; R182-K186 VanDerWaalsContact O-N 3.09Å; L183-K186 PolarHBondContact O-N 2.71Å; L184-K186 PolarHBondContact O-N 3.4Å; K186-F189 PolarHBondContact O-N 2.97Å; K186-I190 WeakPolarHBondContact O-CG1 3.48Å
187K56.7Low73.3Confident105 Ų10590.7 Ų90.746%0.45746%0.464SS..Hα-helixtrans-66-36.7177.6-166.1175.2-177.2179.50112.9D77 L183 L184 K185 F189D77-K187 IonicContact OD1-NZ 2.79Å; D77-K187 PolarHBondContact OD1-NZ 2.96Å; D77-K187 IonicContact OD2-NZ 3.36Å; D77-K187 PolarHBondContact OD2-NZ 3.32Å; L183-K187 PolarHBondContact O-N 3.47Å; L184-K187 WeakPolarHBondContact O-CB 3.35Å; L184-K187 PolarHBondContact O-N 2.94Å; K185-K187 PolarHBondContact O-N 3.42Å; K187-F189 VanDerWaalsContact C-N 3.31Å; K187-F189 PolarHBondContact O-N 2.99Å
188V59.5Low72Confident109 Ų10994.9 Ų94.966%0.66149%0.486SS*.Hα-helixtrans-67.5-30.9177.8178.90000111.8L184 K185L184-V188 PolarHBondContact O-N 3.38Å; K185-V188 PolarHBondContact O-N 2.97Å; K185-V188 VanDerWaalsContact O-N 3.09Å
189F56.2Low70.6Confident162 Ų16293.4 Ų93.471%0.71148%0.482SS*.Hα-helixtrans-83.1-11.8-179-71.3-74.1000115.1K185 K186 K187 V191K185-F189 HydrophobicContact CB-CE2 4.48Å; K185-F189 WeakPolarHBondContact O-CD2 3.24Å; K185-F189 PolarHBondContact O-N 3.07Å; K186-F189 PolarHBondContact O-N 2.97Å; K187-F189 VanDerWaalsContact C-N 3.31Å; K187-F189 PolarHBondContact O-N 2.99Å; F189-V191 PolarHBondContact O-N 2.89Å
190I51.5Low69Low140 Ų140100.3 Ų100.372%0.71852%0.518SS*.THydrogen-bonded Turntrans-81.15.1-179.8-66.9163.3000112.1K186 T192K186-I190 WeakPolarHBondContact O-CG1 3.48Å; I190-T192 PolarHBondContact O-N 3.13Å
191V42.2Very low66.9Low123 Ų123108.7 Ų108.775%0.74556%0.561SS**  trans-90.472.6173.7-167.10000110.2F189F189-V191 PolarHBondContact O-N 2.89Å
192T42Very low64.6Low202 Ų202115 Ų115100%1.23958%0.583SS**  trans-150.50161.756.90000110.9I190I190-T192 PolarHBondContact O-N 3.13Å

Retrieved 192 of 192 residues in 141 ms (Link to these results)

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