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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 P52982, Species MYCLE (Mycobacterium leprae (strain TN)), Gene ogt, Length 165 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
1M86.1Confident94.5Very high171 Ų17163.5 Ų63.584%0.84235%0.348SS*.  0159.10-72.7176.7-77.200107.7H3 L41M1-H3 PolarHBondContact O-CD2 2.7Å; M1-L41 HydrophobicContact CB-CD1 4.22Å; M1-L41 HydrophobicContact SD-CD1 3.79Å
2I93.2Very high94.5Very high47 Ų4760.3 Ų60.324%0.24134%0.341CS..EExtended strand (participates in β ladder)trans-93.2125.1173.4-60.6-61.1000108.4A17 G18 W40 L41I2-A17 HydrophobicContact CG2-CB 3.97Å; I2-G18 WeakPolarHBondContact CA-O 3.38Å; I2-W40 HydrophobicContact CB-CG 4.36Å; I2-W40 HydrophobicContact CG2-CB 4.4Å; I2-W40 HydrophobicContact CG2-CD2 4.05Å; I2-W40 HydrophobicContact CG2-CG 3.75Å; I2-W40 WeakPolarHBondContact O-CA 3.39Å; I2-L41 PolarHBondContact O-N 3.29Å
3H96.2Very high94.5Very high42 Ų4260.2 Ų60.219%0.19434%0.344CS..EExtended strand (participates in β ladder)trans-102.5148.9174.2-61.7-108.3000107.9M1 A17 G18 L41 E43 A46 F47M1-H3 PolarHBondContact O-CD2 2.7Å; H3-A17 WeakPolarHBondContact O-CA 3.33Å; H3-A17 WeakPolarHBondContact O-CB 3.5Å; H3-G18 PolarHBondContact N-O 3.07Å; H3-G18 PolarHBondContact O-N 2.82Å; H3-G18 VanDerWaalsContact O-N 3.08Å; H3-L41 CarbonylContact C-O 3.56Å; H3-L41 VanDerWaalsContact CA-O 3.3Å; H3-L41 WeakPolarHBondContact CA-O 3.04Å; H3-E43 HydrophobicContact CB-CB 4.48Å; H3-E43 IonicContact CE1-OE2 3.06Å; H3-E43 PolarHBondContact CE1-OE2 3.44Å; H3-E43 IonicContact CG-OE2 3.38Å; H3-E43 IonicContact ND1-OE2 2.74Å; H3-E43 PolarHBondContact ND1-OE2 2.87Å; H3-A46 HydrophobicContact CB-CB 4.28Å; H3-F47 HydrophobicContact CB-CE2 4.47Å; H3-F47 HydrophobicContact CB-CZ 4.3Å; H3-F47 WeakPolarHBondContact O-CE2 3.44Å; H3-F47 WeakPolarHBondContact O-CZ 3.36Å
4C95.7Very high94.6Very high20 Ų2055.9 Ų55.914%0.13532%0.319CS..EExtended strand (participates in β ladder)trans-136.2148.6177.466.80000112.6L16 A17 W40 L41 P42 E43C4-L16 CarbonylContact C-O 3.56Å; C4-L16 WeakPolarHBondContact CA-O 3.35Å; C4-L16 WeakPolarHBondContact CB-O 3.48Å; C4-A17 HydrophobicContact CB-CB 3.82Å; C4-W40 HydrophobicContact CB-CB 4.2Å; C4-W40 HydrophobicContact CB-CD2 4.42Å; C4-W40 HydrophobicContact CB-CE3 3.75Å; C4-L41 PolarHBondContact N-O 3.37Å; C4-P42 WeakPolarHBondContact O-CA 3.29Å; C4-E43 PolarHBondContact O-N 3.38Å
5R95.5Very high94.6Very high56 Ų5653.3 Ų53.321%0.21130%0.304CS..EExtended strand (participates in β ladder)trans-139.9136.1179178175.8175.4178-1.4109.5L16 N44 A46 F47R5-L16 PolarHBondContact N-O 2.92Å; R5-L16 PolarHBondContact O-N 3.07Å; R5-N44 WeakPolarHBondContact CD-O 3.37Å; R5-N44 PolarHBondContact NE-O 3.33Å; R5-N44 VanDerWaalsContact NE-O 3.15Å; R5-N44 PolarHBondContact NH1-O 2.94Å; R5-A46 WeakPolarHBondContact CD-O 3.41Å; R5-A46 PolarHBondContact NH1-O 3.47Å; R5-F47 HydrophobicContact CB-CD2 4.41Å
6S95.3Very high94.7Very high84 Ų8449.9 Ų49.959%0.58729%0.285SS*.EExtended strand (participates in β ladder)trans-91.7148.3167.3-54.80000110.7L14S6-L14 CarbonylContact C-O 3.6Å; S6-L14 VanDerWaalsContact CA-O 3.27Å; S6-L14 WeakPolarHBondContact CA-O 3.47Å
7M96.1Very high94.8Very high16 Ų1647 Ų478%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-137.2154.2165.967.5179-70.300110.1P13 L14 L16 V51 L54 D55M7-P13 WeakPolarHBondContact O-CA 3.39Å; M7-L14 HydrophobicContact CG-CB 3.86Å; M7-L14 HydrophobicContact CG-CD1 4.44Å; M7-L14 PolarHBondContact N-O 3.31Å; M7-L14 PolarHBondContact O-N 2.87Å; M7-L14 HydrophobicContact SD-CD1 4.4Å; M7-L16 HydrophobicContact CG-CD1 3.89Å; M7-L16 HydrophobicContact SD-CD1 3.81Å; M7-V51 HydrophobicContact CE-CG1 4.12Å; M7-V51 HydrophobicContact SD-CB 4.45Å; M7-V51 HydrophobicContact SD-CG1 4.18Å; M7-V51 HydrophobicContact SD-CG2 4.13Å; M7-L54 HydrophobicContact CE-CB 3.87Å; M7-L54 HydrophobicContact SD-CB 3.99Å; M7-L54 HydrophobicContact SD-CD1 3.62Å; M7-L54 HydrophobicContact SD-CG 4.46Å; M7-D55 VanDerWaalsContact CE-OD1 3.22Å; M7-D55 WeakPolarHBondContact CE-OD1 3.31Å
8D96.1Very high94.9Very high134 Ų13444.4 Ų44.472%0.71725%0.253SS*.  trans-81.3155.9168.1-66.8-51.2000110.2
9S96.3Very high94.9Very high22 Ų2246.2 Ų46.215%0.15426%0.259CS..  trans-154.5165.4173.782.50000111.4I11 G12 F58S9-I11 PolarHBondContact O-N 3.34Å; S9-I11 VanDerWaalsContact OG-CG1 3.26Å; S9-I11 WeakPolarHBondContact OG-CG1 3.4Å; S9-I11 PolarHBondContact OG-N 2.92Å; S9-G12 PolarHBondContact N-O 3.07Å; S9-G12 PolarHBondContact O-N 3.31Å; S9-G12 PolarHBondContact OG-O 3.47Å; S9-F58 VanDerWaalsContact CB-CE2 3.48Å
10P94.9Very high94.8Very high93 Ų9347.1 Ų47.160%0.60428%0.28SS*.THydrogen-bonded Turntrans-57.1-19.1173.3-26.436000115.1F58P10-F58 HydrophobicContact CB-CD1 4.44Å; P10-F58 HydrophobicContact CG-CB 3.98Å; P10-F58 HydrophobicContact CG-CD1 3.89Å; P10-F58 HydrophobicContact CG-CG 4.03Å
11I94.4Very high94.7Very high13 Ų1348.9 Ų48.97%0.06730%0.295CS..THydrogen-bonded Turntrans-100.312.6175.165.6170.1000113.3S9 L14 M28 F58 I122 R145 T148 L149S9-I11 PolarHBondContact O-N 3.34Å; S9-I11 VanDerWaalsContact OG-CG1 3.26Å; S9-I11 WeakPolarHBondContact OG-CG1 3.4Å; S9-I11 PolarHBondContact OG-N 2.92Å; I11-L14 HydrophobicContact CD1-CD2 4.25Å; I11-L14 HydrophobicContact CG1-CD2 4.25Å; I11-M28 HydrophobicContact CD1-CG 3.93Å; I11-M28 HydrophobicContact CD1-SD 3.83Å; I11-F58 HydrophobicContact CD1-CZ 4.3Å; I11-F58 HydrophobicContact CG1-CE1 4.28Å; I11-F58 HydrophobicContact CG1-CZ 4.11Å; I11-I122 HydrophobicContact CD1-CD1 4.13Å; I11-I122 HydrophobicContact CD1-CG1 4.49Å; I11-R145 HydrophobicContact CB-CB 4.25Å; I11-R145 HydrophobicContact CB-CG 4.03Å; I11-R145 HydrophobicContact CG2-CB 4.39Å; I11-R145 WeakPolarHBondContact O-CD 3.26Å; I11-R145 PolarHBondContact O-NE 3.09Å; I11-T148 HydrophobicContact CG2-CG2 3.84Å; I11-L149 HydrophobicContact CD1-CD1 4.08Å; I11-L149 HydrophobicContact CD1-CD2 4.27Å; I11-L149 HydrophobicContact CD1-CG 4.34Å; I11-L149 HydrophobicContact CG2-CG 4.36Å
12G94.2Very high95.2Very high25 Ų2541.4 Ų41.426%0.25826%0.258SS..SBendtrans94.5-175.2-176.200000113.3S9 L14S9-G12 PolarHBondContact N-O 3.07Å; S9-G12 PolarHBondContact O-N 3.31Å; S9-G12 PolarHBondContact OG-O 3.47Å; G12-L14 PolarHBondContact O-N 2.9Å
13P94.6Very high95.4Very high59 Ų5939.2 Ų39.238%0.38325%0.247SC..  trans-63.4136.4-174.3-24.135.1000112.9M7 V29M7-P13 WeakPolarHBondContact O-CA 3.39Å; P13-V29 HydrophobicContact CB-CB 4.49Å; P13-V29 HydrophobicContact CB-CG2 3.93Å; P13-V29 PolarHBondContact O-N 3.09Å; P13-V29 VanDerWaalsContact O-N 3.09Å
14L95.6Very high95.3Very high0 Ų038 Ų380%024%0.243CC..EExtended strand (participates in β ladder)trans-113.1148.2174.9-55.6179.1000110.3S6 M7 I11 G12 L26 Q27 M28 F58 I122S6-L14 CarbonylContact C-O 3.6Å; S6-L14 VanDerWaalsContact CA-O 3.27Å; S6-L14 WeakPolarHBondContact CA-O 3.47Å; M7-L14 HydrophobicContact CG-CB 3.86Å; M7-L14 HydrophobicContact CG-CD1 4.44Å; M7-L14 PolarHBondContact N-O 3.31Å; M7-L14 PolarHBondContact O-N 2.87Å; M7-L14 HydrophobicContact SD-CD1 4.4Å; I11-L14 HydrophobicContact CD1-CD2 4.25Å; I11-L14 HydrophobicContact CG1-CD2 4.25Å; G12-L14 PolarHBondContact O-N 2.9Å; L14-L26 HydrophobicContact CB-CD1 4.04Å; L14-L26 HydrophobicContact CD1-CD1 4.3Å; L14-Q27 CarbonylContact C-O 3.54Å; L14-Q27 WeakPolarHBondContact CA-O 3.28Å; L14-M28 HydrophobicContact CD2-CB 4.24Å; L14-M28 HydrophobicContact CD2-CG 3.53Å; L14-F58 HydrophobicContact CD1-CE2 3.75Å; L14-F58 HydrophobicContact CD1-CZ 3.98Å; L14-I122 HydrophobicContact CD1-CD1 3.74Å; L14-I122 HydrophobicContact CD2-CD1 4.35Å
15I95.2Very high95.3Very high17 Ų1738.1 Ų38.19%0.08724%0.242CC..EExtended strand (participates in β ladder)trans-123.6117.6176.1-62.7171.9000108.9L26 Q27 V29 R37 W40I15-L26 WeakPolarHBondContact O-CA 3.4Å; I15-Q27 PolarHBondContact N-O 2.75Å; I15-Q27 PolarHBondContact O-N 3.14Å; I15-V29 HydrophobicContact CD1-CG2 3.81Å; I15-V29 HydrophobicContact CG1-CG2 4.18Å; I15-R37 VanDerWaalsContact CD1-CZ 3.48Å; I15-W40 HydrophobicContact CG2-CZ3 4.16Å
16L96.7Very high95.3Very high0 Ų035.5 Ų35.50%023%0.232CC..EExtended strand (participates in β ladder)trans-93138.7172.5-69.673.4000108.4C4 R5 M7 L23 N25 L26 F47 A50 V51 L54C4-L16 CarbonylContact C-O 3.56Å; C4-L16 WeakPolarHBondContact CA-O 3.35Å; C4-L16 WeakPolarHBondContact CB-O 3.48Å; R5-L16 PolarHBondContact N-O 2.92Å; R5-L16 PolarHBondContact O-N 3.07Å; M7-L16 HydrophobicContact CG-CD1 3.89Å; M7-L16 HydrophobicContact SD-CD1 3.81Å; L16-L23 HydrophobicContact CB-CD2 4.02Å; L16-L23 HydrophobicContact CD2-CD2 4.26Å; L16-L23 HydrophobicContact CG-CD2 4.36Å; L16-N25 WeakPolarHBondContact CA-O 3.21Å; L16-L26 HydrophobicContact CD1-CD1 3.83Å; L16-L26 HydrophobicContact CG-CD1 4.01Å; L16-F47 HydrophobicContact CB-CD2 3.87Å; L16-F47 HydrophobicContact CB-CG 4.41Å; L16-F47 HydrophobicContact CD2-CB 3.77Å; L16-F47 HydrophobicContact CD2-CG 4.44Å; L16-A50 HydrophobicContact CD2-CB 3.88Å; L16-V51 HydrophobicContact CD2-CG2 3.73Å; L16-L54 HydrophobicContact CD1-CD1 4.24Å; L16-L54 HydrophobicContact CD2-CD1 4.18Å; L16-L54 HydrophobicContact CG-CD1 4.46Å
17A96.4Very high95.1Very high0 Ų031.5 Ų31.50%020%0.204CC..EExtended strand (participates in β ladder)trans-148.8155.616700000112.8I2 H3 C4 T24 N25 W40I2-A17 HydrophobicContact CG2-CB 3.97Å; H3-A17 WeakPolarHBondContact O-CA 3.33Å; H3-A17 WeakPolarHBondContact O-CB 3.5Å; C4-A17 HydrophobicContact CB-CB 3.82Å; A17-T24 PolarHBondContact O-N 3.4Å; A17-T24 PolarHBondContact O-OG1 3.29Å; A17-T24 VanDerWaalsContact O-OG1 3.11Å; A17-N25 HydrophobicContact CB-CB 4.14Å; A17-N25 PolarHBondContact N-O 2.82Å; A17-N25 PolarHBondContact O-N 3.11Å; A17-W40 HydrophobicContact CB-CD2 3.93Å; A17-W40 HydrophobicContact CB-CE3 3.54Å; A17-W40 HydrophobicContact CB-CH2 3.67Å; A17-W40 HydrophobicContact CB-CZ2 4.06Å; A17-W40 HydrophobicContact CB-CZ3 3.4Å
18G96.2Very high94.8Very high0 Ų030.9 Ų30.90%020%0.201CC..EExtended strand (participates in β ladder)trans168.4-163.6-168.400000113.6I2 H3 V22I2-G18 WeakPolarHBondContact CA-O 3.38Å; H3-G18 PolarHBondContact N-O 3.07Å; H3-G18 PolarHBondContact O-N 2.82Å; H3-G18 VanDerWaalsContact O-N 3.08Å; G18-V22 CarbonylContact C-O 3.59Å; G18-V22 WeakPolarHBondContact CA-O 3.43Å
19H94.8Very high93.9Very high78 Ų7826.4 Ų26.436%0.36118%0.178SC..EExtended strand (participates in β ladder)trans-134.8125.7178.756.363.4000111.8S21 V22H19-S21 PolarHBondContact O-N 3.08Å; H19-V22 PolarHBondContact N-O 3.3Å; H19-V22 PolarHBondContact O-N 3Å
20G93Very high92.9Very high65 Ų6531.9 Ų31.967%0.6721%0.206SC*.THydrogen-bonded Turntrans60.1-124.9-170.300000110.5F47G20-F47 WeakPolarHBondContact O-CE1 3.37Å
21S92.1Very high91.9Very high85 Ų8528.6 Ų28.659%0.59418%0.183SC*.THydrogen-bonded Turntrans-84.7-16.9173.4460000114.5H19H19-S21 PolarHBondContact O-N 3.08Å
22V96.5Very high90.4Very high14 Ų1432.6 Ų32.69%0.08521%0.208CC..EExtended strand (participates in β ladder)trans-78124.1-172.2-172.90000110.4G18 H19 E68 D70G18-V22 CarbonylContact C-O 3.59Å; G18-V22 WeakPolarHBondContact CA-O 3.43Å; H19-V22 PolarHBondContact N-O 3.3Å; H19-V22 PolarHBondContact O-N 3Å; V22-E68 WeakPolarHBondContact CA-O 3.43Å; V22-E68 HydrophobicContact CG1-CG 4.28Å; V22-E68 HydrophobicContact CG2-CB 4.39Å; V22-E68 HydrophobicContact CG2-CG 4.03Å; V22-D70 HydrophobicContact CG1-CB 3.82Å
23L97.1Very high89.1Confident0 Ų036.5 Ų36.50%022%0.215CC..EExtended strand (participates in β ladder)trans-82.4132.2171.5-77.1-175.7000111L16 F47 A50 I67 E68 L69 D70 I120 I123L16-L23 HydrophobicContact CB-CD2 4.02Å; L16-L23 HydrophobicContact CD2-CD2 4.26Å; L16-L23 HydrophobicContact CG-CD2 4.36Å; L23-F47 HydrophobicContact CD2-CB 4.16Å; L23-F47 HydrophobicContact CD2-CD1 3.56Å; L23-F47 HydrophobicContact CD2-CD2 4.2Å; L23-F47 HydrophobicContact CD2-CE1 4.04Å; L23-F47 HydrophobicContact CD2-CG 3.67Å; L23-F47 HydrophobicContact CG-CD1 4.36Å; L23-A50 HydrophobicContact CD1-CB 3.81Å; L23-A50 HydrophobicContact CG-CB 4.35Å; L23-I67 HydrophobicContact CB-CG2 4.42Å; L23-I67 HydrophobicContact CD1-CG2 3.95Å; L23-I67 HydrophobicContact CG-CG2 4.06Å; L23-E68 PolarHBondContact N-O 3.44Å; L23-L69 HydrophobicContact CB-CD2 4.15Å; L23-L69 WeakPolarHBondContact O-CA 3.4Å; L23-D70 PolarHBondContact O-N 3.28Å; L23-I120 HydrophobicContact CB-CD1 4.16Å; L23-I120 WeakPolarHBondContact O-CD1 3.16Å; L23-I123 HydrophobicContact CD1-CD1 3.77Å
24T95.5Very high87.9Confident17 Ų1737.4 Ų37.410%0.10422%0.215CC..EExtended strand (participates in β ladder)trans-106.8-22.4167.561.50000111.5A17 D70A17-T24 PolarHBondContact O-N 3.4Å; A17-T24 PolarHBondContact O-OG1 3.29Å; A17-T24 VanDerWaalsContact O-OG1 3.11Å; T24-D70 HydrophobicContact CG2-CB 4.09Å
25N94.9Very high86.6Confident22 Ų2240.1 Ų40.112%0.11823%0.232CC..EExtended strand (participates in β ladder)trans-146137.6-174.5-71.2-93.4000111.5L16 A17 Q27 W40 P119L16-N25 WeakPolarHBondContact CA-O 3.21Å; A17-N25 HydrophobicContact CB-CB 4.14Å; A17-N25 PolarHBondContact N-O 2.82Å; A17-N25 PolarHBondContact O-N 3.11Å; N25-Q27 HydrophobicContact CB-CG 4.39Å; N25-Q27 PolarHBondContact OD1-NE2 3.19Å; N25-W40 HydrophobicContact CB-CH2 3.98Å; N25-P119 CarbonylContact C-O 3.48Å; N25-P119 VanDerWaalsContact CA-O 3.29Å; N25-P119 WeakPolarHBondContact CA-O 3.41Å
26L95.2Very high85.6Confident1 Ų143.4 Ų43.41%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-141.9114.9163.4170.453.7000107.7L14 I15 L16 L54 P119 I120 A121 I123L14-L26 HydrophobicContact CB-CD1 4.04Å; L14-L26 HydrophobicContact CD1-CD1 4.3Å; I15-L26 WeakPolarHBondContact O-CA 3.4Å; L16-L26 HydrophobicContact CD1-CD1 3.83Å; L16-L26 HydrophobicContact CG-CD1 4.01Å; L26-L54 HydrophobicContact CD1-CD1 4.13Å; L26-L54 HydrophobicContact CD2-CD1 3.78Å; L26-L54 HydrophobicContact CD2-CD2 3.8Å; L26-L54 HydrophobicContact CD2-CG 4.38Å; L26-P119 PolarHBondContact N-O 2.84Å; L26-I120 HydrophobicContact CB-CB 4.39Å; L26-I120 HydrophobicContact CB-CG2 3.65Å; L26-I120 HydrophobicContact CD2-CG2 4.47Å; L26-A121 WeakPolarHBondContact CD2-O 3.43Å; L26-A121 WeakPolarHBondContact CG-O 3.2Å; L26-A121 WeakPolarHBondContact O-CB 3.41Å; L26-A121 PolarHBondContact O-N 2.85Å; L26-I123 HydrophobicContact CD2-CD1 3.59Å; L26-I123 HydrophobicContact CD2-CG1 3.77Å
27Q90.8Very high84.8Confident1 Ų147.4 Ų47.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-130.5142.5-163.9-58.4179.71.800110.8L14 I15 N25L14-Q27 CarbonylContact C-O 3.54Å; L14-Q27 WeakPolarHBondContact CA-O 3.28Å; I15-Q27 PolarHBondContact N-O 2.75Å; I15-Q27 PolarHBondContact O-N 3.14Å; N25-Q27 HydrophobicContact CB-CG 4.39Å; N25-Q27 PolarHBondContact OD1-NE2 3.19Å
28M89.8Confident84Confident3 Ų353.4 Ų53.42%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-84.2138.7164.4-65.1150.5-72.800108.4I11 L14 Q31 A121 Y139 R145I11-M28 HydrophobicContact CD1-CG 3.93Å; I11-M28 HydrophobicContact CD1-SD 3.83Å; L14-M28 HydrophobicContact CD2-CB 4.24Å; L14-M28 HydrophobicContact CD2-CG 3.53Å; M28-Q31 VanDerWaalsContact N-OE1 3.08Å; M28-Q31 VanDerWaalsContact O-CB 3.3Å; M28-Q31 WeakPolarHBondContact O-CB 3.32Å; M28-Q31 VanDerWaalsContact O-CG 3.24Å; M28-Q31 WeakPolarHBondContact O-CG 3.42Å; M28-Q31 PolarHBondContact O-N 3.1Å; M28-A121 HydrophobicContact CE-CB 3.76Å; M28-Y139 HydrophobicContact CE-CE1 3.72Å; M28-Y139 HydrophobicContact SD-CE1 3.61Å; M28-R145 HydrophobicContact SD-CB 4.38Å; M28-R145 WeakPolarHBondContact SD-CD 3.33Å
29V78.8Confident83.6Confident39 Ų3956.4 Ų56.424%0.23634%0.339CS..THydrogen-bonded Turntrans-60.6140.9169.1177.50000109.6P13 I15 Q31 R145P13-V29 HydrophobicContact CB-CB 4.49Å; P13-V29 HydrophobicContact CB-CG2 3.93Å; P13-V29 PolarHBondContact O-N 3.09Å; P13-V29 VanDerWaalsContact O-N 3.09Å; I15-V29 HydrophobicContact CD1-CG2 3.81Å; I15-V29 HydrophobicContact CG1-CG2 4.18Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; V29-R145 PolarHBondContact O-NH1 2.72Å; V29-R145 VanDerWaalsContact O-NH1 3.08Å; V29-R145 PolarHBondContact O-NH2 2.7Å
30D73.9Confident83.5Confident137 Ų13754.4 Ų54.473%0.73333%0.328SS*.THydrogen-bonded Turntrans66.529.3-174.4-48.1-54.9000113.8E34D30-E34 PolarHBondContact N-OE1 2.94Å
31Q74.2Confident83.5Confident24 Ų2454.9 Ų54.911%0.11232%0.315CS..  trans-77.6152.5172.869.5177.326.900112.6M28 V29 Y33 E34 G140M28-Q31 VanDerWaalsContact N-OE1 3.08Å; M28-Q31 VanDerWaalsContact O-CB 3.3Å; M28-Q31 WeakPolarHBondContact O-CB 3.32Å; M28-Q31 VanDerWaalsContact O-CG 3.24Å; M28-Q31 WeakPolarHBondContact O-CG 3.42Å; M28-Q31 PolarHBondContact O-N 3.1Å; V29-Q31 VanDerWaalsContact C-N 3.34Å; Q31-Y33 PolarHBondContact NE2-O 2.89Å; Q31-Y33 PolarHBondContact O-N 3.38Å; Q31-E34 HydrophobicContact CG-CG 3.84Å; Q31-G140 CarbonylContact C-O 3.46Å; Q31-G140 WeakPolarHBondContact CA-O 3.35Å
32T63.6Low83.5Confident97 Ų9756.2 Ų56.260%0.59532%0.321SS*.SBendtrans-55.5-27.5-174.5-520000114.1G140T32-G140 PolarHBondContact N-O 3.15Å; T32-G140 PolarHBondContact OG1-O 2.75Å
33Y67.2Low83.4Confident107 Ų10759.5 Ų59.542%0.4234%0.336SS..  trans-132.693.1177.7-65.9-82.2000109.9Q31 S116Q31-Y33 PolarHBondContact NE2-O 2.89Å; Q31-Y33 PolarHBondContact O-N 3.38Å; Y33-S116 WeakPolarHBondContact CD2-O 3.4Å
34E67.7Low83.1Confident78 Ų7866.2 Ų66.236%0.36437%0.372SS..PPolyproline II helixtrans-91.1123.1166.3-61.5-160.5174.300109.4D30 Q31 R37D30-E34 PolarHBondContact N-OE1 2.94Å; Q31-E34 HydrophobicContact CG-CG 3.84Å; E34-R37 IonicContact OE1-NH2 2.69Å; E34-R37 IonicContact OE2-CZ 3.22Å; E34-R37 VanDerWaalsContact OE2-CZ 3.22Å; E34-R37 IonicContact OE2-NH1 3.66Å; E34-R37 PolarHBondContact OE2-NH1 3.44Å; E34-R37 IonicContact OE2-NH2 3.51Å; E34-R37 PolarHBondContact OE2-NH2 3.47Å
35P68.3Low83Confident57 Ų5767.9 Ų67.937%0.3739%0.392SS..PPolyproline II helixtrans-73162.7171.232.7-34.1000110.5R37 W40P35-R37 PolarHBondContact O-N 3.05Å; P35-R37 VanDerWaalsContact O-N 3.16Å; P35-W40 HydrophobicContact CG-CH2 4.2Å; P35-W40 HydrophobicContact CG-CZ2 4.28Å
36S75.9Confident83Confident86 Ų8667.3 Ų67.360%0.60139%0.39SS*.PPolyproline II helixtrans-59.8118.7171.1-177.20000110.7V38S36-V38 PolarHBondContact O-N 2.85Å; S36-V38 WeakPolarHBondContact OG-CB 3.47Å; S36-V38 WeakPolarHBondContact OG-CG2 3.37Å; S36-V38 PolarHBondContact OG-N 3.15Å
37R79.2Confident83.1Confident85 Ų8567.9 Ų67.932%0.32139%0.393SS..  trans-82.410.9172.6-54.3-172.4179.7114.910.8112.8I15 E34 P35 G39 W40I15-R37 VanDerWaalsContact CD1-CZ 3.48Å; E34-R37 IonicContact OE1-NH2 2.69Å; E34-R37 IonicContact OE2-CZ 3.22Å; E34-R37 VanDerWaalsContact OE2-CZ 3.22Å; E34-R37 IonicContact OE2-NH1 3.66Å; E34-R37 PolarHBondContact OE2-NH1 3.44Å; E34-R37 IonicContact OE2-NH2 3.51Å; E34-R37 PolarHBondContact OE2-NH2 3.47Å; P35-R37 PolarHBondContact O-N 3.05Å; P35-R37 VanDerWaalsContact O-N 3.16Å; R37-G39 PolarHBondContact O-N 2.99Å; R37-W40 HydrophobicContact CB-CD2 3.97Å; R37-W40 HydrophobicContact CB-CE3 3.86Å; R37-W40 HydrophobicContact CB-CG 4.3Å; R37-W40 HydrophobicContact CB-CZ3 4.39Å; R37-W40 HydrophobicContact CG-CD2 4.21Å; R37-W40 HydrophobicContact CG-CE3 3.71Å; R37-W40 HydrophobicContact CG-CH2 4.26Å; R37-W40 HydrophobicContact CG-CZ3 3.74Å; R37-W40 WeakPolarHBondContact O-CB 3.28Å; R37-W40 PolarHBondContact O-N 3.44Å; R37-W40 VanDerWaalsContact O-N 3.11Å
38V80.5Confident83.3Confident126 Ų12670.6 Ų70.676%0.76442%0.416SS*.THydrogen-bonded Turntrans-61.8125.3-179.41710000109.9S36 W40S36-V38 PolarHBondContact O-N 2.85Å; S36-V38 WeakPolarHBondContact OG-CB 3.47Å; S36-V38 WeakPolarHBondContact OG-CG2 3.37Å; S36-V38 PolarHBondContact OG-N 3.15Å; V38-W40 VanDerWaalsContact C-N 3.31Å
39G86.4Confident83.7Confident62 Ų6276.1 Ų76.164%0.63944%0.441SS*.THydrogen-bonded Turntrans80.74.6-178.600000115R37R37-G39 PolarHBondContact O-N 2.99Å
40W92.2Very high84.6Confident37 Ų3774.4 Ų74.414%0.1443%0.431CS..EExtended strand (participates in β ladder)trans-75.9132.7168.1-64.610.4000109.4I2 C4 I15 A17 N25 P35 R37 V38I2-W40 HydrophobicContact CB-CG 4.36Å; I2-W40 HydrophobicContact CG2-CB 4.4Å; I2-W40 HydrophobicContact CG2-CD2 4.05Å; I2-W40 HydrophobicContact CG2-CG 3.75Å; I2-W40 WeakPolarHBondContact O-CA 3.39Å; C4-W40 HydrophobicContact CB-CB 4.2Å; C4-W40 HydrophobicContact CB-CD2 4.42Å; C4-W40 HydrophobicContact CB-CE3 3.75Å; I15-W40 HydrophobicContact CG2-CZ3 4.16Å; A17-W40 HydrophobicContact CB-CD2 3.93Å; A17-W40 HydrophobicContact CB-CE3 3.54Å; A17-W40 HydrophobicContact CB-CH2 3.67Å; A17-W40 HydrophobicContact CB-CZ2 4.06Å; A17-W40 HydrophobicContact CB-CZ3 3.4Å; N25-W40 HydrophobicContact CB-CH2 3.98Å; P35-W40 HydrophobicContact CG-CH2 4.2Å; P35-W40 HydrophobicContact CG-CZ2 4.28Å; R37-W40 HydrophobicContact CB-CD2 3.97Å; R37-W40 HydrophobicContact CB-CE3 3.86Å; R37-W40 HydrophobicContact CB-CG 4.3Å; R37-W40 HydrophobicContact CB-CZ3 4.39Å; R37-W40 HydrophobicContact CG-CD2 4.21Å; R37-W40 HydrophobicContact CG-CE3 3.71Å; R37-W40 HydrophobicContact CG-CH2 4.26Å; R37-W40 HydrophobicContact CG-CZ3 3.74Å; R37-W40 WeakPolarHBondContact O-CB 3.28Å; R37-W40 PolarHBondContact O-N 3.44Å; R37-W40 VanDerWaalsContact O-N 3.11Å; V38-W40 VanDerWaalsContact C-N 3.31Å
41L93.1Very high85.7Confident74 Ų7468.3 Ų68.339%0.38740%0.399SS..EExtended strand (participates in β ladder)trans-98.9117.9-179.4-61.3178.8000109.9M1 I2 H3 C4 E43M1-L41 HydrophobicContact CB-CD1 4.22Å; M1-L41 HydrophobicContact SD-CD1 3.79Å; I2-L41 PolarHBondContact O-N 3.29Å; H3-L41 CarbonylContact C-O 3.56Å; H3-L41 VanDerWaalsContact CA-O 3.3Å; H3-L41 WeakPolarHBondContact CA-O 3.04Å; C4-L41 PolarHBondContact N-O 3.37Å; L41-E43 PolarHBondContact O-N 2.94Å
42P93.9Very high86.9Confident113 Ų11370.6 Ų70.673%0.73442%0.418SS*.EExtended strand (participates in β ladder)trans-62.8124.7175.5-23.334.6000111.5C4C4-P42 WeakPolarHBondContact O-CA 3.29Å
43E93.9Very high88.5Confident84 Ų8466.7 Ų66.739%0.39339%0.393SS..  trans-143.3105.7177.3-174.8179.1149.500110.9H3 C4 L41 G45 A46H3-E43 HydrophobicContact CB-CB 4.48Å; H3-E43 IonicContact CE1-OE2 3.06Å; H3-E43 PolarHBondContact CE1-OE2 3.44Å; H3-E43 IonicContact CG-OE2 3.38Å; H3-E43 IonicContact ND1-OE2 2.74Å; H3-E43 PolarHBondContact ND1-OE2 2.87Å; C4-E43 PolarHBondContact O-N 3.38Å; L41-E43 PolarHBondContact O-N 2.94Å; E43-G45 PolarHBondContact O-N 2.79Å; E43-G45 VanDerWaalsContact O-N 3.14Å; E43-A46 HydrophobicContact CB-CB 4.03Å; E43-A46 HydrophobicContact CG-CB 4.16Å; E43-A46 WeakPolarHBondContact O-CB 3.5Å; E43-A46 PolarHBondContact O-N 3.1Å
44N90.8Very high90Very high141 Ų14161.6 Ų61.675%0.75437%0.373SS*.THydrogen-bonded Turntrans-64-20.4-176.6-64-10.9000113.9R5R5-N44 WeakPolarHBondContact CD-O 3.37Å; R5-N44 PolarHBondContact NE-O 3.33Å; R5-N44 VanDerWaalsContact NE-O 3.15Å; R5-N44 PolarHBondContact NH1-O 2.94Å
45G93.6Very high91.5Very high52 Ų5262 Ų6254%0.53638%0.377SS..THydrogen-bonded Turntrans-87.2-14.1176.300000114.5E43E43-G45 PolarHBondContact O-N 2.79Å; E43-G45 VanDerWaalsContact O-N 3.14Å
46A94.3Very high92.9Very high9 Ų960.3 Ų60.37%0.07437%0.368CS..THydrogen-bonded Turntrans-64.3152.6-176.100000111.8H3 R5 E43 A48H3-A46 HydrophobicContact CB-CB 4.28Å; R5-A46 WeakPolarHBondContact CD-O 3.41Å; R5-A46 PolarHBondContact NH1-O 3.47Å; E43-A46 HydrophobicContact CB-CB 4.03Å; E43-A46 HydrophobicContact CG-CB 4.16Å; E43-A46 WeakPolarHBondContact O-CB 3.5Å; E43-A46 PolarHBondContact O-N 3.1Å; A46-A48 PolarHBondContact O-N 3.14Å; A46-A48 VanDerWaalsContact O-N 3.1Å
47F96.8Very high93.9Very high13 Ų1356.2 Ų56.26%0.05734%0.34CS..THydrogen-bonded Turntrans51.134.1175.1-39.1-68.5000114.6H3 R5 L16 G20 L23 E49 A50 V51H3-F47 HydrophobicContact CB-CE2 4.47Å; H3-F47 HydrophobicContact CB-CZ 4.3Å; H3-F47 WeakPolarHBondContact O-CE2 3.44Å; H3-F47 WeakPolarHBondContact O-CZ 3.36Å; R5-F47 HydrophobicContact CB-CD2 4.41Å; L16-F47 HydrophobicContact CB-CD2 3.87Å; L16-F47 HydrophobicContact CB-CG 4.41Å; L16-F47 HydrophobicContact CD2-CB 3.77Å; L16-F47 HydrophobicContact CD2-CG 4.44Å; G20-F47 WeakPolarHBondContact O-CE1 3.37Å; L23-F47 HydrophobicContact CD2-CB 4.16Å; L23-F47 HydrophobicContact CD2-CD1 3.56Å; L23-F47 HydrophobicContact CD2-CD2 4.2Å; L23-F47 HydrophobicContact CD2-CE1 4.04Å; L23-F47 HydrophobicContact CD2-CG 3.67Å; L23-F47 HydrophobicContact CG-CD1 4.36Å; F47-E49 PolarHBondContact O-N 3.02Å; F47-A50 HydrophobicContact CB-CB 4.13Å; F47-A50 PolarHBondContact O-N 3.18Å; F47-V51 PolarHBondContact O-N 2.95Å
48A96.2Very high94.8Very high59 Ų5953.3 Ų53.349%0.48833%0.33SS..Hα-helixtrans-52.9-40.4-177.200000113.4A46 V51 S52A46-A48 PolarHBondContact O-N 3.14Å; A46-A48 VanDerWaalsContact O-N 3.1Å; A48-V51 PolarHBondContact O-N 2.91Å; A48-S52 PolarHBondContact O-N 3.14Å
49E97.1Very high95.5Very high118 Ų11850.4 Ų50.455%0.55132%0.318SS*.Hα-helixtrans-61.4-47.3174.8-174.857.7-14700112.1F47 V51 S52 Q53 I67F47-E49 PolarHBondContact O-N 3.02Å; E49-V51 VanDerWaalsContact C-N 3.35Å; E49-V51 PolarHBondContact O-N 3.35Å; E49-S52 PolarHBondContact O-N 2.9Å; E49-Q53 WeakPolarHBondContact O-CG 3.12Å; E49-Q53 PolarHBondContact O-N 3.1Å; E49-Q53 PolarHBondContact OE1-NE2 3.4Å; E49-I67 HydrophobicContact CB-CD1 4.36Å; E49-I67 HydrophobicContact CG-CD1 3.8Å
50A97.7Very high95.8Very high3 Ų347.8 Ų47.83%0.02529%0.292CS..Hα-helixtrans-65.6-36.4178.700000112.6L16 L23 F47 L54 I67L16-A50 HydrophobicContact CD2-CB 3.88Å; L23-A50 HydrophobicContact CD1-CB 3.81Å; L23-A50 HydrophobicContact CG-CB 4.35Å; F47-A50 HydrophobicContact CB-CB 4.13Å; F47-A50 PolarHBondContact O-N 3.18Å; A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 WeakPolarHBondContact O-CD1 3.46Å; A50-L54 WeakPolarHBondContact O-CG 3.34Å; A50-L54 PolarHBondContact O-N 3.22Å; A50-I67 HydrophobicContact CB-CD1 3.87Å; A50-I67 HydrophobicContact CB-CG1 4.17Å; A50-I67 HydrophobicContact CB-CG2 4.31Å
51V97.9Very high95.9Very high9 Ų953.7 Ų53.76%0.05532%0.321CS..Hα-helixtrans-64.3-46.2172.5175.90000110.4M7 L16 F47 A48 E49 Q53 L54 D55M7-V51 HydrophobicContact CE-CG1 4.12Å; M7-V51 HydrophobicContact SD-CB 4.45Å; M7-V51 HydrophobicContact SD-CG1 4.18Å; M7-V51 HydrophobicContact SD-CG2 4.13Å; L16-V51 HydrophobicContact CD2-CG2 3.73Å; F47-V51 PolarHBondContact O-N 2.95Å; A48-V51 PolarHBondContact O-N 2.91Å; E49-V51 VanDerWaalsContact C-N 3.35Å; E49-V51 PolarHBondContact O-N 3.35Å; V51-Q53 VanDerWaalsContact C-N 3.33Å; V51-Q53 PolarHBondContact O-N 3.39Å; V51-L54 PolarHBondContact O-N 3.31Å; V51-L54 VanDerWaalsContact O-N 3.16Å; V51-D55 PolarHBondContact O-N 3.01Å
52S97.9Very high96Very high72 Ų7251.6 Ų51.650%0.50331%0.31SS..Hα-helixtrans-59.9-41177.5-164.20000112.6A48 E49 A56A48-S52 PolarHBondContact O-N 3.14Å; E49-S52 PolarHBondContact O-N 2.9Å; S52-A56 WeakPolarHBondContact O-CB 3.04Å; S52-A56 PolarHBondContact O-N 2.83Å
53Q98.5Very high96.1Very high15 Ų1549.3 Ų49.37%0.0729%0.294CS..Hα-helixtrans-71.8-33.4176.8-68.1-175.324.300112.4E49 V51 Y57 L62 F65 A66 I67E49-Q53 WeakPolarHBondContact O-CG 3.12Å; E49-Q53 PolarHBondContact O-N 3.1Å; E49-Q53 PolarHBondContact OE1-NE2 3.4Å; V51-Q53 VanDerWaalsContact C-N 3.33Å; V51-Q53 PolarHBondContact O-N 3.39Å; Q53-Y57 WeakPolarHBondContact O-CB 3.29Å; Q53-Y57 PolarHBondContact O-N 3.14Å; Q53-L62 HydrophobicContact CB-CD1 3.85Å; Q53-L62 HydrophobicContact CG-CD1 3.81Å; Q53-F65 HydrophobicContact CB-CD1 3.92Å; Q53-F65 HydrophobicContact CB-CE1 4.2Å; Q53-A66 PolarHBondContact NE2-O 3.44Å; Q53-I67 HydrophobicContact CG-CD1 4.35Å
54L98.4Very high96.2Very high0 Ų053 Ų530%031%0.311CS..Hα-helixtrans-67.8-42.5173.4-74.9164.4000111.7M7 L16 L26 A50 V51 Y57 F58 F65 I122 I123M7-L54 HydrophobicContact CE-CB 3.87Å; M7-L54 HydrophobicContact SD-CB 3.99Å; M7-L54 HydrophobicContact SD-CD1 3.62Å; M7-L54 HydrophobicContact SD-CG 4.46Å; L16-L54 HydrophobicContact CD1-CD1 4.24Å; L16-L54 HydrophobicContact CD2-CD1 4.18Å; L16-L54 HydrophobicContact CG-CD1 4.46Å; L26-L54 HydrophobicContact CD1-CD1 4.13Å; L26-L54 HydrophobicContact CD2-CD1 3.78Å; L26-L54 HydrophobicContact CD2-CD2 3.8Å; L26-L54 HydrophobicContact CD2-CG 4.38Å; A50-L54 WeakPolarHBondContact O-CB 3.39Å; A50-L54 WeakPolarHBondContact O-CD1 3.46Å; A50-L54 WeakPolarHBondContact O-CG 3.34Å; A50-L54 PolarHBondContact O-N 3.22Å; V51-L54 PolarHBondContact O-N 3.31Å; V51-L54 VanDerWaalsContact O-N 3.16Å; L54-Y57 WeakPolarHBondContact O-CB 3.2Å; L54-Y57 PolarHBondContact O-N 3.13Å; L54-F58 WeakPolarHBondContact O-CD2 3.17Å; L54-F58 PolarHBondContact O-N 2.78Å; L54-F65 HydrophobicContact CD2-CE1 3.83Å; L54-F65 HydrophobicContact CD2-CZ 3.91Å; L54-F65 HydrophobicContact CG-CE1 4.17Å; L54-I122 HydrophobicContact CD2-CD1 4.24Å; L54-I122 HydrophobicContact CD2-CG2 4.25Å; L54-I123 HydrophobicContact CD2-CG1 4.36Å
55D98.1Very high96.6Very high86 Ų8648.3 Ų48.346%0.4628%0.284SS..Hα-helixtrans-60.2-46.3174.5-70.6-28.7000110.6M7 V51 Y57 F58 A59M7-D55 VanDerWaalsContact CE-OD1 3.22Å; M7-D55 WeakPolarHBondContact CE-OD1 3.31Å; V51-D55 PolarHBondContact O-N 3.01Å; D55-Y57 PolarHBondContact O-N 2.89Å; D55-F58 PolarHBondContact O-N 3.02Å; D55-A59 WeakPolarHBondContact O-CB 3.24Å; D55-A59 PolarHBondContact O-N 3.47Å
56A97.8Very high96.7Very high22 Ų2249.8 Ų49.818%0.18229%0.291CS..Hα-helixtrans-62.3-39.9174.500000112.7S52 A59 G60 E61 L62S52-A56 WeakPolarHBondContact O-CB 3.04Å; S52-A56 PolarHBondContact O-N 2.83Å; A56-A59 PolarHBondContact O-N 3.32Å; A56-G60 PolarHBondContact O-N 3.21Å; A56-G60 VanDerWaalsContact O-N 3.14Å; A56-E61 HydrophobicContact CB-CB 4.3Å; A56-E61 PolarHBondContact O-N 3.48Å; A56-L62 HydrophobicContact CB-CB 3.73Å; A56-L62 HydrophobicContact CB-CD1 4.49Å; A56-L62 PolarHBondContact O-N 3.11Å
57Y98.2Very high96.8Very high0 Ų050.6 Ų50.60%029%0.294CS..Hα-helixtrans-61.8-45.3174.4168.9-92.3000111.3Q53 L54 D55 A59 G60 F65 Y89 I122 H127 L149 L152 E153Q53-Y57 WeakPolarHBondContact O-CB 3.29Å; Q53-Y57 PolarHBondContact O-N 3.14Å; L54-Y57 WeakPolarHBondContact O-CB 3.2Å; L54-Y57 PolarHBondContact O-N 3.13Å; D55-Y57 PolarHBondContact O-N 2.89Å; Y57-A59 VanDerWaalsContact C-N 3.29Å; Y57-A59 PolarHBondContact O-N 2.87Å; Y57-G60 PolarHBondContact O-N 2.93Å; Y57-F65 HydrophobicContact CD1-CZ 4.21Å; Y57-F65 AromaticContact CD2-CE2 3.84Å; Y57-F65 HydrophobicContact CD2-CE2 3.84Å; Y57-F65 AromaticContact CD2-CZ 3.73Å; Y57-F65 HydrophobicContact CD2-CZ 3.73Å; Y57-F65 HydrophobicContact CE2-CE2 4.31Å; Y57-F65 HydrophobicContact CE2-CZ 4.49Å; Y57-F65 HydrophobicContact CG-CE1 4.47Å; Y57-F65 HydrophobicContact CG-CE2 4.17Å; Y57-F65 AromaticContact CG-CZ 3.57Å; Y57-F65 HydrophobicContact CG-CZ 3.57Å; Y57-Y89 AromaticContact CD2-CE2 3.95Å; Y57-Y89 HydrophobicContact CD2-CE2 3.95Å; Y57-Y89 HydrophobicContact CE2-CD2 4.1Å; Y57-Y89 AromaticContact CE2-CE2 3.65Å; Y57-Y89 HydrophobicContact CE2-CE2 3.65Å; Y57-I122 HydrophobicContact CD1-CG2 3.87Å; Y57-I122 HydrophobicContact CE1-CG2 3.47Å; Y57-I122 VanDerWaalsContact CE1-CG2 3.47Å; Y57-I122 HydrophobicContact CE2-CG2 4.38Å; Y57-I122 HydrophobicContact CG-CG2 4.5Å; Y57-H127 PolarHBondContact OH-NE2 3.29Å; Y57-L149 HydrophobicContact CE1-CD2 3.76Å; Y57-L152 HydrophobicContact CE1-CD2 4.32Å; Y57-L152 HydrophobicContact CE2-CD2 4.5Å; Y57-E153 HydrophobicContact CE2-CG 4.31Å; Y57-E153 PolarHBondContact OH-OE1 2.69Å
58F97.3Very high96.7Very high25 Ų2556 Ų5611%0.1132%0.32CS..Hα-helixtrans-70.1-23.7178.1-75.3-58.1000113.6S9 P10 I11 L14 L54 D55 G60 I122 L149 L152S9-F58 VanDerWaalsContact CB-CE2 3.48Å; P10-F58 HydrophobicContact CB-CD1 4.44Å; P10-F58 HydrophobicContact CG-CB 3.98Å; P10-F58 HydrophobicContact CG-CD1 3.89Å; P10-F58 HydrophobicContact CG-CG 4.03Å; I11-F58 HydrophobicContact CD1-CZ 4.3Å; I11-F58 HydrophobicContact CG1-CE1 4.28Å; I11-F58 HydrophobicContact CG1-CZ 4.11Å; L14-F58 HydrophobicContact CD1-CE2 3.75Å; L14-F58 HydrophobicContact CD1-CZ 3.98Å; L54-F58 WeakPolarHBondContact O-CD2 3.17Å; L54-F58 PolarHBondContact O-N 2.78Å; D55-F58 PolarHBondContact O-N 3.02Å; F58-G60 VanDerWaalsContact C-N 3.3Å; F58-I122 HydrophobicContact CE2-CD1 4.28Å; F58-I122 HydrophobicContact CZ-CD1 3.71Å; F58-L149 HydrophobicContact CE1-CD2 3.93Å; F58-L152 HydrophobicContact CD1-CD1 4.21Å
59A95.3Very high96.8Very high64 Ų6455.4 Ų55.453%0.52931%0.308SS..Hα-helixtrans-78.1-11168.400000113.6D55 A56 Y57 E61D55-A59 WeakPolarHBondContact O-CB 3.24Å; D55-A59 PolarHBondContact O-N 3.47Å; A56-A59 PolarHBondContact O-N 3.32Å; Y57-A59 VanDerWaalsContact C-N 3.29Å; Y57-A59 PolarHBondContact O-N 2.87Å; A59-E61 VanDerWaalsContact C-N 3.29Å; A59-E61 HydrophobicContact CB-CG 3.93Å
60G93.4Very high96.7Very high8 Ų853.3 Ų53.38%0.08230%0.3CS..THydrogen-bonded Turntrans80.93.4-172.800000114.2A56 Y57 F58 Q156A56-G60 PolarHBondContact O-N 3.21Å; A56-G60 VanDerWaalsContact O-N 3.14Å; Y57-G60 PolarHBondContact O-N 2.93Å; F58-G60 VanDerWaalsContact C-N 3.3Å; G60-Q156 WeakPolarHBondContact O-CG 3.4Å; G60-Q156 PolarHBondContact O-NE2 3.2Å
61E94Very high96.5Very high160 Ų16053.9 Ų53.975%0.74830%0.303SS*.  trans-81.1-16.4-176.7-61.4179.5174.500113.1A56 A59A56-E61 HydrophobicContact CB-CB 4.3Å; A56-E61 PolarHBondContact O-N 3.48Å; A59-E61 VanDerWaalsContact C-N 3.29Å; A59-E61 HydrophobicContact CB-CG 3.93Å
62L96Very high96.3Very high30 Ų3058.6 Ų58.616%0.15734%0.335CS..  trans-127.9124.9-178.7-179.7140.9000112.1Q53 A56 E64 F65Q53-L62 HydrophobicContact CB-CD1 3.85Å; Q53-L62 HydrophobicContact CG-CD1 3.81Å; A56-L62 HydrophobicContact CB-CB 3.73Å; A56-L62 HydrophobicContact CB-CD1 4.49Å; A56-L62 PolarHBondContact O-N 3.11Å; L62-E64 WeakPolarHBondContact CD2-O 3.49Å; L62-E64 VanDerWaalsContact CG-O 3.32Å; L62-E64 WeakPolarHBondContact CG-O 3.49Å; L62-F65 HydrophobicContact CD2-CD1 3.75Å; L62-F65 HydrophobicContact CD2-CD2 4.34Å; L62-F65 HydrophobicContact CD2-CE1 3.76Å; L62-F65 HydrophobicContact CD2-CE2 4.35Å; L62-F65 HydrophobicContact CD2-CG 4.05Å; L62-F65 HydrophobicContact CD2-CZ 4.07Å
63T95.8Very high96.1Very high65 Ų6556.4 Ų56.440%0.39932%0.324SS..SBendtrans-102.6-22.9178550000113.7Y89T63-Y89 VanDerWaalsContact CA-CD2 3.45Å; T63-Y89 HydrophobicContact CG2-CD1 3.76Å; T63-Y89 HydrophobicContact CG2-CD2 3.99Å; T63-Y89 HydrophobicContact CG2-CE1 3.88Å; T63-Y89 HydrophobicContact CG2-CE2 4.06Å; T63-Y89 HydrophobicContact CG2-CG 3.81Å; T63-Y89 WeakPolarHBondContact O-CD2 3.29Å
64E95.9Very high96Very high161 Ų16159.6 Ų59.675%0.75235%0.345SS*.SBendtrans-132.2131.8-176-67.3-178.6-165.500110.7L62L62-E64 WeakPolarHBondContact CD2-O 3.49Å; L62-E64 VanDerWaalsContact CG-O 3.32Å; L62-E64 WeakPolarHBondContact CG-O 3.49Å
65F97.6Very high96Very high43 Ų4367.5 Ų67.519%0.18938%0.382CS..  trans-91.4133178.7-68.5-82.7000111.4Q53 L54 Y57 L62 I122 I123Q53-F65 HydrophobicContact CB-CD1 3.92Å; Q53-F65 HydrophobicContact CB-CE1 4.2Å; L54-F65 HydrophobicContact CD2-CE1 3.83Å; L54-F65 HydrophobicContact CD2-CZ 3.91Å; L54-F65 HydrophobicContact CG-CE1 4.17Å; Y57-F65 HydrophobicContact CD1-CZ 4.21Å; Y57-F65 AromaticContact CD2-CE2 3.84Å; Y57-F65 HydrophobicContact CD2-CE2 3.84Å; Y57-F65 AromaticContact CD2-CZ 3.73Å; Y57-F65 HydrophobicContact CD2-CZ 3.73Å; Y57-F65 HydrophobicContact CE2-CE2 4.31Å; Y57-F65 HydrophobicContact CE2-CZ 4.49Å; Y57-F65 HydrophobicContact CG-CE1 4.47Å; Y57-F65 HydrophobicContact CG-CE2 4.17Å; Y57-F65 AromaticContact CG-CZ 3.57Å; Y57-F65 HydrophobicContact CG-CZ 3.57Å; L62-F65 HydrophobicContact CD2-CD1 3.75Å; L62-F65 HydrophobicContact CD2-CD2 4.34Å; L62-F65 HydrophobicContact CD2-CE1 3.76Å; L62-F65 HydrophobicContact CD2-CE2 4.35Å; L62-F65 HydrophobicContact CD2-CG 4.05Å; L62-F65 HydrophobicContact CD2-CZ 4.07Å; F65-I122 HydrophobicContact CE2-CG2 4.14Å; F65-I122 HydrophobicContact CZ-CG2 4.01Å; F65-I123 HydrophobicContact CB-CG2 3.9Å; F65-I123 HydrophobicContact CD1-CD1 4.37Å; F65-I123 HydrophobicContact CD1-CG1 3.9Å; F65-I123 HydrophobicContact CD2-CB 4.2Å; F65-I123 HydrophobicContact CD2-CG1 3.99Å; F65-I123 HydrophobicContact CD2-CG2 4.16Å; F65-I123 HydrophobicContact CE1-CG1 3.99Å; F65-I123 HydrophobicContact CE2-CG1 4.08Å; F65-I123 HydrophobicContact CG-CB 4.35Å; F65-I123 HydrophobicContact CG-CG1 3.9Å; F65-I123 HydrophobicContact CG-CG2 4.04Å; F65-I123 HydrophobicContact CZ-CG1 4.08Å
66A96.2Very high95.9Very high83 Ų8365.8 Ų65.869%0.68637%0.37SS*.  trans-110.861174.800000110.3Q53Q53-A66 PolarHBondContact NE2-O 3.44Å
67I96.2Very high95.9Very high27 Ų2766.2 Ų66.214%0.13837%0.369CS..  trans-118.8138-178.9-54.4-61.2000110L23 E49 A50 Q53 L69L23-I67 HydrophobicContact CB-CG2 4.42Å; L23-I67 HydrophobicContact CD1-CG2 3.95Å; L23-I67 HydrophobicContact CG-CG2 4.06Å; E49-I67 HydrophobicContact CB-CD1 4.36Å; E49-I67 HydrophobicContact CG-CD1 3.8Å; A50-I67 HydrophobicContact CB-CD1 3.87Å; A50-I67 HydrophobicContact CB-CG1 4.17Å; A50-I67 HydrophobicContact CB-CG2 4.31Å; Q53-I67 HydrophobicContact CG-CD1 4.35Å; I67-L69 HydrophobicContact CB-CD2 4.22Å; I67-L69 HydrophobicContact CG2-CD2 4Å
68E96.3Very high95.9Very high127 Ų12770.5 Ų70.559%0.59339%0.388SS*.  trans-75.1126.8173.9-168.1177.5-176.300110.7V22 L23V22-E68 WeakPolarHBondContact CA-O 3.43Å; V22-E68 HydrophobicContact CG1-CG 4.28Å; V22-E68 HydrophobicContact CG2-CB 4.39Å; V22-E68 HydrophobicContact CG2-CG 4.03Å; L23-E68 PolarHBondContact N-O 3.44Å
69L97.1Very high95.9Very high45 Ų4575.1 Ų75.124%0.23641%0.405CS..BIsolated β-bridgetrans-119.9132-172.8-49.6-178000111.3L23 I67 L71 L85 I120 I123 V124L23-L69 HydrophobicContact CB-CD2 4.15Å; L23-L69 WeakPolarHBondContact O-CA 3.4Å; I67-L69 HydrophobicContact CB-CD2 4.22Å; I67-L69 HydrophobicContact CG2-CD2 4Å; L69-L71 HydrophobicContact CB-CG 4.35Å; L69-L85 HydrophobicContact CD1-CD2 4.47Å; L69-I120 HydrophobicContact CB-CD1 4.01Å; L69-I120 HydrophobicContact CD2-CD1 3.88Å; L69-I120 HydrophobicContact CD2-CG2 4.32Å; L69-I120 HydrophobicContact CG-CD1 4.36Å; L69-I123 HydrophobicContact CD1-CG2 3.92Å; L69-I123 HydrophobicContact CD2-CG2 4.08Å; L69-V124 HydrophobicContact CD1-CG2 4.04Å
70D95.6Very high96.1Very high74 Ų7472 Ų7240%0.39638%0.38SS..  trans-108.1106.3165.7174.728.3000109.9V22 L23 T24 C72V22-D70 HydrophobicContact CG1-CB 3.82Å; L23-D70 PolarHBondContact O-N 3.28Å; T24-D70 HydrophobicContact CG2-CB 4.09Å; D70-C72 PolarHBondContact O-N 3.17Å
71L93.9Very high96.3Very high16 Ų1671.8 Ų71.88%0.08438%0.376CS..  trans-100.480.1-172.6-66.8178.5000111.7L69 G73 W81 P119 I120 V124L69-L71 HydrophobicContact CB-CG 4.35Å; L71-G73 PolarHBondContact O-N 3.17Å; L71-W81 HydrophobicContact CB-CE3 3.89Å; L71-W81 HydrophobicContact CB-CZ3 4.2Å; L71-W81 HydrophobicContact CD1-CB 4.04Å; L71-P119 HydrophobicContact CD2-CG 4.03Å; L71-I120 HydrophobicContact CD2-CB 4.35Å; L71-I120 HydrophobicContact CD2-CD1 3.61Å; L71-I120 HydrophobicContact CD2-CG1 3.86Å; L71-V124 HydrophobicContact CD1-CG2 4.1Å; L71-V124 HydrophobicContact CD2-CG2 4.01Å
72C92.1Very high96.5Very high108 Ų10869.5 Ų69.573%0.7337%0.366SS*.  trans-71.5117.9178.7-172.70000112.7D70 W81D70-C72 PolarHBondContact O-N 3.17Å; C72-W81 WeakPolarHBondContact O-CH2 3.37Å
73G93.9Very high96.6Very high26 Ų2668.3 Ų68.327%0.26836%0.36SS..SBendtrans-176.9179.1178.400000112.7L71 Q78L71-G73 PolarHBondContact O-N 3.17Å; G73-Q78 PolarHBondContact O-NE2 3.4Å
74T97.3Very high96.7Very high82 Ų8265.2 Ų65.250%0.50334%0.341SS..  trans-63.3157.2172.6600000111.9F76 Q77 Q78T74-F76 PolarHBondContact O-N 3.48Å; T74-F76 VanDerWaalsContact O-N 3.15Å; T74-Q77 WeakPolarHBondContact O-CA 3.1Å; T74-Q77 WeakPolarHBondContact O-CB 3.42Å; T74-Q77 PolarHBondContact O-N 2.86Å; T74-Q77 VanDerWaalsContact OG1-CG 3.32Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.45Å; T74-Q77 PolarHBondContact OG1-N 3.33Å; T74-Q77 PolarHBondContact OG1-OE1 3.48Å; T74-Q78 PolarHBondContact O-N 2.9Å
75E97.3Very high96.8Very high165 Ų16560.9 Ų60.977%0.77132%0.323SS*.Hα-helixtrans-52.9-37.6177.3-60.2-179.1144.300113R79E75-R79 VanDerWaalsContact O-CG 3.31Å; E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.48Å
76F97.8Very high96.8Very high51 Ų5162.8 Ų62.822%0.22434%0.338CS..Hα-helixtrans-67.3-42.7175.5-178.6-95000112.1T74 R79 V80 V102 A104 A107 A110 V111 A114T74-F76 PolarHBondContact O-N 3.48Å; T74-F76 VanDerWaalsContact O-N 3.15Å; F76-R79 PolarHBondContact O-N 3.29Å; F76-V80 HydrophobicContact CD1-CG2 4.23Å; F76-V80 HydrophobicContact CE1-CG2 3.72Å; F76-V80 HydrophobicContact CE2-CG2 4.41Å; F76-V80 HydrophobicContact CZ-CG2 3.83Å; F76-V80 WeakPolarHBondContact O-CG2 3.28Å; F76-V80 PolarHBondContact O-N 3.04Å; F76-V102 HydrophobicContact CE2-CG2 4.12Å; F76-A104 HydrophobicContact CE2-CB 4.02Å; F76-A107 HydrophobicContact CZ-CB 4.46Å; F76-A110 HydrophobicContact CE1-CB 3.81Å; F76-A110 HydrophobicContact CZ-CB 3.87Å; F76-V111 HydrophobicContact CZ-CG2 4.06Å; F76-A114 HydrophobicContact CD1-CB 4.39Å; F76-A114 HydrophobicContact CE1-CB 4.2Å
77Q97.4Very high96.9Very high31 Ų3158.9 Ų58.915%0.14531%0.306CS..Hα-helixtrans-63.2-46.4176-74.8168.4-73.600111.6T74 R79 V80 W81 A114T74-Q77 WeakPolarHBondContact O-CA 3.1Å; T74-Q77 WeakPolarHBondContact O-CB 3.42Å; T74-Q77 PolarHBondContact O-N 2.86Å; T74-Q77 VanDerWaalsContact OG1-CG 3.32Å; T74-Q77 WeakPolarHBondContact OG1-CG 3.45Å; T74-Q77 PolarHBondContact OG1-N 3.33Å; T74-Q77 PolarHBondContact OG1-OE1 3.48Å; Q77-R79 PolarHBondContact O-N 2.98Å; Q77-V80 PolarHBondContact O-N 3.22Å; Q77-V80 VanDerWaalsContact O-N 3.15Å; Q77-W81 HydrophobicContact CB-CD2 4.26Å; Q77-W81 HydrophobicContact CB-CE3 4.29Å; Q77-W81 HydrophobicContact CB-CH2 3.79Å; Q77-W81 HydrophobicContact CB-CZ2 3.68Å; Q77-W81 HydrophobicContact CB-CZ3 4.07Å; Q77-W81 HydrophobicContact CG-CH2 4.46Å; Q77-W81 HydrophobicContact CG-CZ2 4.12Å; Q77-W81 PolarHBondContact O-N 3Å; Q77-A114 HydrophobicContact CB-CB 4.48Å; Q77-A114 HydrophobicContact CG-CB 3.91Å
78Q97.3Very high96.9Very high89 Ų8960.2 Ų60.242%0.41632%0.316SS..Hα-helixtrans-58.1-47.5177.3-67.1-177.229.900111.1G73 T74 V80 W81 Q82G73-Q78 PolarHBondContact O-NE2 3.4Å; T74-Q78 PolarHBondContact O-N 2.9Å; Q78-V80 VanDerWaalsContact C-N 3.33Å; Q78-V80 PolarHBondContact O-N 3.42Å; Q78-W81 HydrophobicContact CG-CE3 4.42Å; Q78-W81 HydrophobicContact CG-CZ3 4.41Å; Q78-W81 PolarHBondContact O-N 3.05Å; Q78-Q82 WeakPolarHBondContact O-CB 3.46Å; Q78-Q82 VanDerWaalsContact O-CG 3.29Å; Q78-Q82 WeakPolarHBondContact O-CG 3.38Å; Q78-Q82 PolarHBondContact O-N 2.68Å
79R98.1Very high97Very high122 Ų12255.5 Ų55.546%0.4629%0.293SS..Hα-helixtrans-60.8-39.2175.8-70.5-171.6-56.21322.7112.8E75 F76 Q77 A83 V102E75-R79 VanDerWaalsContact O-CG 3.31Å; E75-R79 WeakPolarHBondContact O-CG 3.43Å; E75-R79 PolarHBondContact O-N 3.48Å; F76-R79 PolarHBondContact O-N 3.29Å; Q77-R79 PolarHBondContact O-N 2.98Å; R79-A83 PolarHBondContact O-N 3.31Å; R79-A83 VanDerWaalsContact O-N 3.08Å; R79-V102 HydrophobicContact CB-CB 4.45Å; R79-V102 HydrophobicContact CB-CG1 4.33Å; R79-V102 PolarHBondContact NH1-O 3.03Å; R79-V102 WeakPolarHBondContact O-CG1 3.49Å
80V98.4Very high96.9Very high0 Ų054.4 Ų54.40%029%0.292CS..Hα-helixtrans-61.9-51.8172.7168.70000110.8F76 Q77 Q78 Q82 A83 L84 I98 V102 V111 A114F76-V80 HydrophobicContact CD1-CG2 4.23Å; F76-V80 HydrophobicContact CE1-CG2 3.72Å; F76-V80 HydrophobicContact CE2-CG2 4.41Å; F76-V80 HydrophobicContact CZ-CG2 3.83Å; F76-V80 WeakPolarHBondContact O-CG2 3.28Å; F76-V80 PolarHBondContact O-N 3.04Å; Q77-V80 PolarHBondContact O-N 3.22Å; Q77-V80 VanDerWaalsContact O-N 3.15Å; Q78-V80 VanDerWaalsContact C-N 3.33Å; Q78-V80 PolarHBondContact O-N 3.42Å; V80-Q82 VanDerWaalsContact C-N 3.31Å; V80-Q82 PolarHBondContact O-N 3.32Å; V80-A83 CarbonylContact O-C 3.6Å; V80-A83 WeakPolarHBondContact O-CA 3.45Å; V80-A83 WeakPolarHBondContact O-CB 3.31Å; V80-A83 PolarHBondContact O-N 2.78Å; V80-L84 HydrophobicContact CG1-CG 4.37Å; V80-L84 WeakPolarHBondContact O-CG 3.2Å; V80-L84 PolarHBondContact O-N 2.8Å; V80-I98 HydrophobicContact CG1-CG2 4.28Å; V80-V102 HydrophobicContact CG2-CG1 4.26Å; V80-V102 HydrophobicContact CG2-CG2 4.36Å; V80-V111 HydrophobicContact CG1-CG1 3.99Å; V80-V111 HydrophobicContact CG2-CG1 4.42Å; V80-V111 HydrophobicContact CG2-CG2 4.1Å; V80-A114 HydrophobicContact CB-CB 4Å; V80-A114 HydrophobicContact CG1-CB 3.93Å; V80-A114 HydrophobicContact CG2-CB 4.09Å
81W98.1Very high97Very high2 Ų254.9 Ų54.91%0.00829%0.292CS..Hα-helixtrans-62.9-35.5-177.9-56.8-32.7000112.9L71 C72 Q77 Q78 L84 L85 A114 R117 P119 V124L71-W81 HydrophobicContact CB-CE3 3.89Å; L71-W81 HydrophobicContact CB-CZ3 4.2Å; L71-W81 HydrophobicContact CD1-CB 4.04Å; C72-W81 WeakPolarHBondContact O-CH2 3.37Å; Q77-W81 HydrophobicContact CB-CD2 4.26Å; Q77-W81 HydrophobicContact CB-CE3 4.29Å; Q77-W81 HydrophobicContact CB-CH2 3.79Å; Q77-W81 HydrophobicContact CB-CZ2 3.68Å; Q77-W81 HydrophobicContact CB-CZ3 4.07Å; Q77-W81 HydrophobicContact CG-CH2 4.46Å; Q77-W81 HydrophobicContact CG-CZ2 4.12Å; Q77-W81 PolarHBondContact O-N 3Å; Q78-W81 HydrophobicContact CG-CE3 4.42Å; Q78-W81 HydrophobicContact CG-CZ3 4.41Å; Q78-W81 PolarHBondContact O-N 3.05Å; W81-L84 WeakPolarHBondContact O-CB 3.08Å; W81-L84 PolarHBondContact O-N 3.1Å; W81-L85 PolarHBondContact O-N 2.96Å; W81-L85 VanDerWaalsContact O-N 3.1Å; W81-A114 PolarHBondContact NE1-O 3.42Å; W81-R117 VanDerWaalsContact CZ2-O 3.28Å; W81-R117 WeakPolarHBondContact CZ2-O 3.27Å; W81-P119 HydrophobicContact CH2-CG 4.26Å; W81-P119 HydrophobicContact CZ3-CG 4.45Å; W81-V124 HydrophobicContact CB-CG1 4.04Å
82Q97.9Very high97.1Very high113 Ų11356.2 Ų56.253%0.52830%0.301SS..Hα-helixtrans-64.3-39.1170.8-67.8-62.7-24.300112.2Q78 V80 L84 L85Q78-Q82 WeakPolarHBondContact O-CB 3.46Å; Q78-Q82 VanDerWaalsContact O-CG 3.29Å; Q78-Q82 WeakPolarHBondContact O-CG 3.38Å; Q78-Q82 PolarHBondContact O-N 2.68Å; V80-Q82 VanDerWaalsContact C-N 3.31Å; V80-Q82 PolarHBondContact O-N 3.32Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 2.82Å; Q82-L85 PolarHBondContact O-N 3.38Å
83A98.4Very high97.4Very high4 Ų454.6 Ų54.63%0.03328%0.28CS..Hα-helixtrans-67.8-27.9171.600000113.2R79 V80 T86 I98 Q101 V102R79-A83 PolarHBondContact O-N 3.31Å; R79-A83 VanDerWaalsContact O-N 3.08Å; V80-A83 CarbonylContact O-C 3.6Å; V80-A83 WeakPolarHBondContact O-CA 3.45Å; V80-A83 WeakPolarHBondContact O-CB 3.31Å; V80-A83 PolarHBondContact O-N 2.78Å; A83-T86 PolarHBondContact O-N 2.77Å; A83-T86 PolarHBondContact O-OG1 3.2Å; A83-I98 HydrophobicContact CB-CD1 4.5Å; A83-I98 HydrophobicContact CB-CG2 4.18Å; A83-Q101 HydrophobicContact CB-CG 4.14Å; A83-V102 HydrophobicContact CB-CG1 3.72Å
84L98.3Very high97.5Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-67.1-40.7172.1-56.8-174.2000111.5V80 W81 Q82 T86 I87 I98 N115 V124 P125 C126 V129V80-L84 HydrophobicContact CG1-CG 4.37Å; V80-L84 WeakPolarHBondContact O-CG 3.2Å; V80-L84 PolarHBondContact O-N 2.8Å; W81-L84 WeakPolarHBondContact O-CB 3.08Å; W81-L84 PolarHBondContact O-N 3.1Å; Q82-L84 VanDerWaalsContact C-N 3.31Å; Q82-L84 PolarHBondContact O-N 2.82Å; L84-T86 PolarHBondContact O-N 2.75Å; L84-T86 VanDerWaalsContact O-N 3.14Å; L84-I87 HydrophobicContact CD2-CD1 4Å; L84-I87 WeakPolarHBondContact O-CB 3.45Å; L84-I87 WeakPolarHBondContact O-CG1 3.48Å; L84-I87 PolarHBondContact O-N 2.99Å; L84-I98 HydrophobicContact CD2-CD1 4.3Å; L84-I98 HydrophobicContact CD2-CG1 4.3Å; L84-I98 HydrophobicContact CD2-CG2 4.27Å; L84-N115 WeakPolarHBondContact CD1-OD1 3.33Å; L84-V124 HydrophobicContact CB-CG1 3.84Å; L84-V124 HydrophobicContact CD1-CG1 3.86Å; L84-V124 HydrophobicContact CG-CG1 4.4Å; L84-P125 HydrophobicContact CB-CG 4.44Å; L84-P125 WeakPolarHBondContact O-CD 3.43Å; L84-P125 WeakPolarHBondContact O-CG 3.22Å; L84-C126 HydrophobicContact CD1-CB 4.06Å; L84-V129 HydrophobicContact CD2-CG2 3.33Å
85L97.9Very high97.5Very high71 Ų7151.3 Ų51.337%0.37225%0.252SS..Hα-helixtrans-61.9-18.5177.9-72.6168.5000113.3L69 W81 Q82 V124L69-L85 HydrophobicContact CD1-CD2 4.47Å; W81-L85 PolarHBondContact O-N 2.96Å; W81-L85 VanDerWaalsContact O-N 3.1Å; Q82-L85 PolarHBondContact O-N 3.38Å; L85-V124 HydrophobicContact CD1-CG2 4.49Å; L85-V124 HydrophobicContact CD2-CG2 4.06Å; L85-V124 HydrophobicContact CG-CG2 4.28Å
86T98Very high97.5Very high82 Ų8244.5 Ų44.550%0.50323%0.227SC..THydrogen-bonded Turntrans-87.31.317467.50000114.5A83 L84 P88 Q101A83-T86 PolarHBondContact O-N 2.77Å; A83-T86 PolarHBondContact O-OG1 3.2Å; L84-T86 PolarHBondContact O-N 2.75Å; L84-T86 VanDerWaalsContact O-N 3.14Å; T86-P88 WeakPolarHBondContact O-CD 3.35Å; T86-Q101 PolarHBondContact OG1-NE2 3.27Å
87I98.1Very high97.6Very high2 Ų246.3 Ų46.31%0.0124%0.236CC..SBendtrans-83.2115.5176.7-51.1169.8000108.8L84 E91 R93 I98 P125 R128 V129L84-I87 HydrophobicContact CD2-CD1 4Å; L84-I87 WeakPolarHBondContact O-CB 3.45Å; L84-I87 WeakPolarHBondContact O-CG1 3.48Å; L84-I87 PolarHBondContact O-N 2.99Å; I87-E91 HydrophobicContact CG2-CB 4.45Å; I87-R93 HydrophobicContact CD1-CB 4.2Å; I87-R93 HydrophobicContact CD1-CG 4.28Å; I87-R93 HydrophobicContact CG1-CB 4.36Å; I87-R93 HydrophobicContact CG1-CG 3.9Å; I87-R93 HydrophobicContact CG2-CG 4.1Å; I87-I98 HydrophobicContact CD1-CD1 3.96Å; I87-I98 HydrophobicContact CG1-CD1 4.16Å; I87-P125 HydrophobicContact CB-CG 4.49Å; I87-R128 HydrophobicContact CB-CB 4.4Å; I87-R128 HydrophobicContact CD1-CB 4.16Å; I87-R128 HydrophobicContact CG2-CB 3.77Å; I87-R128 HydrophobicContact CG2-CG 4.37Å; I87-R128 PolarHBondContact O-NH1 2.93Å; I87-V129 HydrophobicContact CD1-CG2 4.03Å
88P96.5Very high97.6Very high54 Ų5444.9 Ų44.935%0.35123%0.229SC..  trans-61.4158.6-178.1-24.236.3000113.5T86 G90 E91 R128T86-P88 WeakPolarHBondContact O-CD 3.35Å; P88-G90 PolarHBondContact O-N 2.73Å; P88-E91 HydrophobicContact CB-CB 4.17Å; P88-E91 HydrophobicContact CB-CG 4.11Å; P88-E91 HydrophobicContact CG-CB 4.47Å; P88-E91 HydrophobicContact CG-CG 4.41Å; P88-E91 PolarHBondContact O-N 3.43Å; P88-R128 WeakPolarHBondContact O-CD 3.36Å
89Y97.2Very high97.6Very high28 Ų2840.6 Ų40.611%0.1121%0.209CC..THydrogen-bonded Turntrans-60.6132.6173.2-178-80.7000111.1Y57 T63 E91 E153 Q156 V157Y57-Y89 AromaticContact CD2-CE2 3.95Å; Y57-Y89 HydrophobicContact CD2-CE2 3.95Å; Y57-Y89 HydrophobicContact CE2-CD2 4.1Å; Y57-Y89 AromaticContact CE2-CE2 3.65Å; Y57-Y89 HydrophobicContact CE2-CE2 3.65Å; T63-Y89 VanDerWaalsContact CA-CD2 3.45Å; T63-Y89 HydrophobicContact CG2-CD1 3.76Å; T63-Y89 HydrophobicContact CG2-CD2 3.99Å; T63-Y89 HydrophobicContact CG2-CE1 3.88Å; T63-Y89 HydrophobicContact CG2-CE2 4.06Å; T63-Y89 HydrophobicContact CG2-CG 3.81Å; T63-Y89 WeakPolarHBondContact O-CD2 3.29Å; Y89-E91 PolarHBondContact O-N 3.01Å; Y89-E153 HydrophobicContact CD1-CB 4.09Å; Y89-E153 HydrophobicContact CD1-CG 4.39Å; Y89-E153 HydrophobicContact CD2-CG 3.92Å; Y89-E153 HydrophobicContact CE1-CB 3.75Å; Y89-E153 HydrophobicContact CE1-CG 4.09Å; Y89-E153 WeakPolarHBondContact CE1-O 3.34Å; Y89-E153 HydrophobicContact CE2-CB 4.24Å; Y89-E153 HydrophobicContact CE2-CG 3.63Å; Y89-E153 HydrophobicContact CG-CB 4.45Å; Y89-E153 HydrophobicContact CG-CG 4.32Å; Y89-Q156 HydrophobicContact CE1-CB 4.1Å; Y89-Q156 HydrophobicContact CE1-CG 4.41Å; Y89-V157 HydrophobicContact CD1-CG2 4.08Å; Y89-V157 HydrophobicContact CE1-CG2 4.32Å
90G95.9Very high97.6Very high22 Ų2241 Ų4123%0.22722%0.216CC..THydrogen-bonded Turntrans76.3-8.1-177.800000114.8P88 E153P88-G90 PolarHBondContact O-N 2.73Å; G90-E153 PolarHBondContact N-OE2 2.87Å
91E96.2Very high97.6Very high84 Ų8445.6 Ų45.639%0.39324%0.238SC..  trans-91.1162.5170.6-74.8-167.5-140.300112.3I87 P88 Y89 R93 R128I87-E91 HydrophobicContact CG2-CB 4.45Å; P88-E91 HydrophobicContact CB-CB 4.17Å; P88-E91 HydrophobicContact CB-CG 4.11Å; P88-E91 HydrophobicContact CG-CB 4.47Å; P88-E91 HydrophobicContact CG-CG 4.41Å; P88-E91 PolarHBondContact O-N 3.43Å; Y89-E91 PolarHBondContact O-N 3.01Å; E91-R93 IonicContact OE2-CZ 3.18Å; E91-R93 IonicContact OE2-NH1 2.7Å; E91-R93 PolarHBondContact OE2-NH1 2.66Å; E91-R93 IonicContact OE2-NH2 2.72Å; E91-R93 PolarHBondContact OE2-NH2 3.13Å; E91-R128 WeakPolarHBondContact O-CD 3.32Å; E91-R128 WeakPolarHBondContact O-CG 3.33Å
92T97.2Very high97.6Very high45 Ų4546 Ų4628%0.27624%0.24SC..  trans-131.4158173.155.70000110.6R128 I130 L150T92-R128 CarbonylContact C-O 3.6Å; T92-R128 WeakPolarHBondContact CA-O 3.3Å; T92-R128 WeakPolarHBondContact CB-O 3.39Å; T92-I130 HydrophobicContact CG2-CD1 4.29Å; T92-I130 HydrophobicContact CG2-CG2 4.27Å; T92-I130 WeakPolarHBondContact OG1-CD1 3.41Å; T92-L150 HydrophobicContact CG2-CD2 3.71Å
93R97.6Very high97.6Very high74 Ų7443.6 Ų43.628%0.27925%0.246SC..EExtended strand (participates in β ladder)trans-130.7152.1169.9-66.9-64.5178.8-87.4-2.2110.3I87 E91 E97 I98 R128 V129 I130I87-R93 HydrophobicContact CD1-CB 4.2Å; I87-R93 HydrophobicContact CD1-CG 4.28Å; I87-R93 HydrophobicContact CG1-CB 4.36Å; I87-R93 HydrophobicContact CG1-CG 3.9Å; I87-R93 HydrophobicContact CG2-CG 4.1Å; E91-R93 IonicContact OE2-CZ 3.18Å; E91-R93 IonicContact OE2-NH1 2.7Å; E91-R93 PolarHBondContact OE2-NH1 2.66Å; E91-R93 IonicContact OE2-NH2 2.72Å; E91-R93 PolarHBondContact OE2-NH2 3.13Å; R93-E97 WeakPolarHBondContact CA-OE2 3.22Å; R93-E97 HydrophobicContact CB-CB 4.44Å; R93-E97 WeakPolarHBondContact CB-OE2 3.48Å; R93-E97 WeakPolarHBondContact CD-OE2 3.34Å; R93-I98 HydrophobicContact CB-CD1 3.9Å; R93-I98 HydrophobicContact CB-CG1 4.07Å; R93-I98 HydrophobicContact CG-CD1 4.25Å; R93-R128 PolarHBondContact N-O 3Å; R93-V129 CarbonylContact O-C 3.49Å; R93-V129 VanDerWaalsContact O-CA 3.24Å; R93-V129 WeakPolarHBondContact O-CA 3.48Å; R93-I130 PolarHBondContact O-N 3.14Å
94S97.5Very high97.6Very high14 Ų1444.4 Ų44.410%0.09825%0.252CS..EExtended strand (participates in β ladder)trans-79.8156.1173.380.20000111.9G96 E97 I98 I130S94-G96 PolarHBondContact O-N 2.99Å; S94-G96 VanDerWaalsContact O-N 3.11Å; S94-G96 PolarHBondContact OG-N 3.35Å; S94-E97 PolarHBondContact N-OE2 3.45Å; S94-E97 PolarHBondContact O-N 3.46Å; S94-E97 WeakPolarHBondContact OG-CG 3.47Å; S94-E97 PolarHBondContact OG-N 2.95Å; S94-E97 VanDerWaalsContact OG-N 3.1Å; S94-I98 PolarHBondContact O-N 3.45Å; S94-I98 VanDerWaalsContact O-N 3.14Å; S94-I130 VanDerWaalsContact CA-O 3.28Å; S94-I130 WeakPolarHBondContact CA-O 3.38Å
95Y97.3Very high97.4Very high24 Ų2449.2 Ų49.29%0.09428%0.284CS..Hα-helixtrans-57-22.8169.4-68.6-78.7000113.4A99 A108 V111 N115 V129 I130 I137Y95-A99 WeakPolarHBondContact O-CB 3.34Å; Y95-A99 PolarHBondContact O-N 2.94Å; Y95-A108 WeakPolarHBondContact O-CA 3.14Å; Y95-V111 HydrophobicContact CD1-CB 4.48Å; Y95-V111 HydrophobicContact CD1-CG1 4.04Å; Y95-N115 HydrophobicContact CE1-CB 4.13Å; Y95-V129 HydrophobicContact CD1-CG1 3.45Å; Y95-V129 VanDerWaalsContact CD1-CG1 3.45Å; Y95-V129 HydrophobicContact CD2-CG1 4.03Å; Y95-V129 HydrophobicContact CE1-CB 4.08Å; Y95-V129 HydrophobicContact CE1-CG1 3.44Å; Y95-V129 VanDerWaalsContact CE1-CG1 3.44Å; Y95-V129 HydrophobicContact CE2-CG1 4.03Å; Y95-V129 HydrophobicContact CG-CG1 3.73Å; Y95-I130 WeakPolarHBondContact CD2-O 3.32Å; Y95-I130 PolarHBondContact N-O 3.32Å; Y95-I130 VanDerWaalsContact N-O 3.13Å; Y95-I137 HydrophobicContact CD2-CD1 4.24Å; Y95-I137 HydrophobicContact CD2-CG1 4.41Å; Y95-I137 HydrophobicContact CE2-CD1 4.12Å; Y95-I137 HydrophobicContact CE2-CG1 3.85Å; Y95-I137 PolarHBondContact OH-O 3.38Å
96G97.2Very high97.3Very high23 Ų2349.6 Ų49.624%0.23731%0.305CS..Hα-helixtrans-75.1-48.2174.700000112.2S94 I98 A99 E100S94-G96 PolarHBondContact O-N 2.99Å; S94-G96 VanDerWaalsContact O-N 3.11Å; S94-G96 PolarHBondContact OG-N 3.35Å; G96-I98 VanDerWaalsContact C-N 3.34Å; G96-I98 PolarHBondContact O-N 3.48Å; G96-A99 CarbonylContact O-C 3.54Å; G96-A99 WeakPolarHBondContact O-CA 3.39Å; G96-A99 WeakPolarHBondContact O-CB 3.49Å; G96-A99 PolarHBondContact O-N 3.24Å; G96-E100 PolarHBondContact O-N 3.46Å
97E98.1Very high97.2Very high89 Ų8947 Ų4742%0.41629%0.291SS..Hα-helixtrans-59-43.6177.7-71.2160.9-176.700111.6R93 S94 A99 E100 Q101R93-E97 WeakPolarHBondContact CA-OE2 3.22Å; R93-E97 HydrophobicContact CB-CB 4.44Å; R93-E97 WeakPolarHBondContact CB-OE2 3.48Å; R93-E97 WeakPolarHBondContact CD-OE2 3.34Å; S94-E97 PolarHBondContact N-OE2 3.45Å; S94-E97 PolarHBondContact O-N 3.46Å; S94-E97 WeakPolarHBondContact OG-CG 3.47Å; S94-E97 PolarHBondContact OG-N 2.95Å; S94-E97 VanDerWaalsContact OG-N 3.1Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 3.07Å; E97-E100 PolarHBondContact O-N 3.25Å; E97-Q101 WeakPolarHBondContact O-CB 3.39Å; E97-Q101 PolarHBondContact O-N 3.29Å
98I98.4Very high97.1Very high0 Ų048.4 Ų48.40%030%0.304CS..Hα-helixtrans-65.3-35.3174.6-59.3-60.5000111.3V80 A83 L84 I87 R93 S94 G96 Q101 V102 V111 V129V80-I98 HydrophobicContact CG1-CG2 4.28Å; A83-I98 HydrophobicContact CB-CD1 4.5Å; A83-I98 HydrophobicContact CB-CG2 4.18Å; L84-I98 HydrophobicContact CD2-CD1 4.3Å; L84-I98 HydrophobicContact CD2-CG1 4.3Å; L84-I98 HydrophobicContact CD2-CG2 4.27Å; I87-I98 HydrophobicContact CD1-CD1 3.96Å; I87-I98 HydrophobicContact CG1-CD1 4.16Å; R93-I98 HydrophobicContact CB-CD1 3.9Å; R93-I98 HydrophobicContact CB-CG1 4.07Å; R93-I98 HydrophobicContact CG-CD1 4.25Å; S94-I98 PolarHBondContact O-N 3.45Å; S94-I98 VanDerWaalsContact O-N 3.14Å; G96-I98 VanDerWaalsContact C-N 3.34Å; G96-I98 PolarHBondContact O-N 3.48Å; I98-Q101 PolarHBondContact O-N 2.89Å; I98-V102 WeakPolarHBondContact O-CG1 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.15Å; I98-V102 PolarHBondContact O-N 2.88Å; I98-V102 VanDerWaalsContact O-N 3.07Å; I98-V111 HydrophobicContact CB-CG1 3.93Å; I98-V111 HydrophobicContact CG2-CG1 3.53Å; I98-V111 HydrophobicContact CG2-CG2 4.41Å; I98-V129 HydrophobicContact CG1-CG1 4.41Å
99A98.3Very high97.1Very high0 Ų056.3 Ų56.30%033%0.327CS..Hα-helixtrans-66.8-39176.200000112.1Y95 G96 E97 A104 A107 V111Y95-A99 WeakPolarHBondContact O-CB 3.34Å; Y95-A99 PolarHBondContact O-N 2.94Å; G96-A99 CarbonylContact O-C 3.54Å; G96-A99 WeakPolarHBondContact O-CA 3.39Å; G96-A99 WeakPolarHBondContact O-CB 3.49Å; G96-A99 PolarHBondContact O-N 3.24Å; E97-A99 VanDerWaalsContact C-N 3.31Å; E97-A99 PolarHBondContact O-N 3.07Å; A99-A104 WeakPolarHBondContact CB-O 3.49Å; A99-A104 CarbonylContact O-C 3.53Å; A99-A104 WeakPolarHBondContact O-CA 3.34Å; A99-A104 PolarHBondContact O-N 2.87Å; A99-A107 HydrophobicContact CB-CB 4.43Å; A99-V111 HydrophobicContact CB-CG2 3.73Å
100E98.2Very high97Very high131 Ų13156.9 Ų56.961%0.61234%0.337SS*.Hα-helixtrans-66-46.9173.1-71.3170.9-165.700111.4G96 E97 V102 G103 P105G96-E100 PolarHBondContact O-N 3.46Å; E97-E100 PolarHBondContact O-N 3.25Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 2.97Å; E100-G103 PolarHBondContact O-N 2.9Å; E100-P105 HydrophobicContact CG-CB 4.35Å
101Q98.4Very high97.1Very high96 Ų9655.8 Ų55.845%0.44933%0.326SS..Hα-helixtrans-58.8-37.8178.7-175179.8-11.300112.8A83 T86 E97 I98 G103A83-Q101 HydrophobicContact CB-CG 4.14Å; T86-Q101 PolarHBondContact OG1-NE2 3.27Å; E97-Q101 WeakPolarHBondContact O-CB 3.39Å; E97-Q101 PolarHBondContact O-N 3.29Å; I98-Q101 PolarHBondContact O-N 2.89Å; Q101-G103 PolarHBondContact O-N 3.04Å
102V98.1Very high97Very high10 Ų1052.9 Ų52.96%0.06132%0.318CS..THydrogen-bonded Turntrans-83.713.7174.9-53.90000113.7F76 R79 V80 A83 I98 E100 A104F76-V102 HydrophobicContact CE2-CG2 4.12Å; R79-V102 HydrophobicContact CB-CB 4.45Å; R79-V102 HydrophobicContact CB-CG1 4.33Å; R79-V102 PolarHBondContact NH1-O 3.03Å; R79-V102 WeakPolarHBondContact O-CG1 3.49Å; V80-V102 HydrophobicContact CG2-CG1 4.26Å; V80-V102 HydrophobicContact CG2-CG2 4.36Å; A83-V102 HydrophobicContact CB-CG1 3.72Å; I98-V102 WeakPolarHBondContact O-CG1 3.31Å; I98-V102 WeakPolarHBondContact O-CG2 3.15Å; I98-V102 PolarHBondContact O-N 2.88Å; I98-V102 VanDerWaalsContact O-N 3.07Å; E100-V102 VanDerWaalsContact C-N 3.3Å; E100-V102 PolarHBondContact O-N 2.97Å; V102-A104 HydrophobicContact CG2-CB 4.07Å; V102-A104 PolarHBondContact O-N 3.39Å
103G97.4Very high96.9Very high62 Ų6254.7 Ų54.764%0.63933%0.326SS*.THydrogen-bonded Turntrans63.928.3177.900000113.7E100 Q101 P105E100-G103 PolarHBondContact O-N 2.9Å; Q101-G103 PolarHBondContact O-N 3.04Å; G103-P105 VanDerWaalsContact C-CD 3.43Å
104A97.1Very high96.7Very high21 Ų2151.3 Ų51.317%0.17431%0.314CS..  trans-128.259.817800000110.7F76 A99 V102 G106 A107F76-A104 HydrophobicContact CE2-CB 4.02Å; A99-A104 WeakPolarHBondContact CB-O 3.49Å; A99-A104 CarbonylContact O-C 3.53Å; A99-A104 WeakPolarHBondContact O-CA 3.34Å; A99-A104 PolarHBondContact O-N 2.87Å; V102-A104 HydrophobicContact CG2-CB 4.07Å; V102-A104 PolarHBondContact O-N 3.39Å; A104-G106 PolarHBondContact O-N 2.88Å; A104-A107 HydrophobicContact CB-CB 3.74Å; A104-A107 WeakPolarHBondContact O-CB 3.29Å; A104-A107 PolarHBondContact O-N 3.3Å
105P95.8Very high96.5Very high101 Ų10151 Ų5166%0.65631%0.311SS*.THydrogen-bonded Turntrans-54.6139-178.924.4-34.7000111.3E100 G103 A107E100-P105 HydrophobicContact CG-CB 4.35Å; G103-P105 VanDerWaalsContact C-CD 3.43Å; P105-A107 PolarHBondContact O-N 3.05Å
106G95Very high96.2Very high80 Ų8051.5 Ų51.583%0.82532%0.318SS*.THydrogen-bonded Turntrans80.1-10.6-172.700000115.3A104 A108A104-G106 PolarHBondContact O-N 2.88Å; G106-A108 PolarHBondContact O-N 3.37Å
107A96.4Very high95.9Very high26 Ų2655.6 Ų55.622%0.21533%0.326CS..THydrogen-bonded Turntrans-78.619.918000000114.7F76 A99 A104 P105 R109 A110 V111F76-A107 HydrophobicContact CZ-CB 4.46Å; A99-A107 HydrophobicContact CB-CB 4.43Å; A104-A107 HydrophobicContact CB-CB 3.74Å; A104-A107 WeakPolarHBondContact O-CB 3.29Å; A104-A107 PolarHBondContact O-N 3.3Å; P105-A107 PolarHBondContact O-N 3.05Å; A107-R109 PolarHBondContact O-N 3.29Å; A107-R109 VanDerWaalsContact O-N 3.07Å; A107-A110 HydrophobicContact CB-CB 4.26Å; A107-A110 CarbonylContact O-C 3.11Å; A107-A110 WeakPolarHBondContact O-CA 3.48Å; A107-A110 WeakPolarHBondContact O-CB 3.42Å; A107-A110 PolarHBondContact O-N 3.12Å; A107-V111 PolarHBondContact O-N 2.81Å
108A95.8Very high95.7Very high33 Ų3351.9 Ų51.927%0.27331%0.309SS..Hα-helixtrans-52-35.8-176.600000113.8Y95 G106 V111 G112Y95-A108 WeakPolarHBondContact O-CA 3.14Å; G106-A108 PolarHBondContact O-N 3.37Å; A108-V111 PolarHBondContact O-N 3.01Å; A108-G112 PolarHBondContact O-N 3.27Å
109R95.2Very high95.5Very high219 Ų21952.9 Ų52.983%0.82632%0.316SS*.Hα-helixtrans-67.1-38.3173.7-173.9176.9-179.6178.10.7112.7A107 G112 L113A107-R109 PolarHBondContact O-N 3.29Å; A107-R109 VanDerWaalsContact O-N 3.07Å; R109-G112 PolarHBondContact O-N 2.91Å; R109-L113 WeakPolarHBondContact O-CG 3.31Å; R109-L113 PolarHBondContact O-N 3.46Å; R109-L113 VanDerWaalsContact O-N 3.14Å
110A96.6Very high95.3Very high40 Ų4052.9 Ų52.933%0.33132%0.316SS..Hα-helixtrans-70.4-39.3175.600000111.1F76 A107 G112 L113 A114F76-A110 HydrophobicContact CE1-CB 3.81Å; F76-A110 HydrophobicContact CZ-CB 3.87Å; A107-A110 HydrophobicContact CB-CB 4.26Å; A107-A110 CarbonylContact O-C 3.11Å; A107-A110 WeakPolarHBondContact O-CA 3.48Å; A107-A110 WeakPolarHBondContact O-CB 3.42Å; A107-A110 PolarHBondContact O-N 3.12Å; A110-G112 VanDerWaalsContact C-N 3.31Å; A110-G112 PolarHBondContact O-N 3.23Å; A110-L113 PolarHBondContact O-N 2.8Å; A110-L113 VanDerWaalsContact O-N 3.14Å; A110-A114 PolarHBondContact O-N 3.45Å
111V97.1Very high95.2Very high0 Ų046.8 Ų46.80%029%0.288CS..Hα-helixtrans-57-45.4169.7178.20000110.5F76 V80 Y95 I98 A99 A107 A108 L113 A114 N115F76-V111 HydrophobicContact CZ-CG2 4.06Å; V80-V111 HydrophobicContact CG1-CG1 3.99Å; V80-V111 HydrophobicContact CG2-CG1 4.42Å; V80-V111 HydrophobicContact CG2-CG2 4.1Å; Y95-V111 HydrophobicContact CD1-CB 4.48Å; Y95-V111 HydrophobicContact CD1-CG1 4.04Å; I98-V111 HydrophobicContact CB-CG1 3.93Å; I98-V111 HydrophobicContact CG2-CG1 3.53Å; I98-V111 HydrophobicContact CG2-CG2 4.41Å; A99-V111 HydrophobicContact CB-CG2 3.73Å; A107-V111 PolarHBondContact O-N 2.81Å; A108-V111 PolarHBondContact O-N 3.01Å; V111-L113 VanDerWaalsContact C-N 3.31Å; V111-L113 PolarHBondContact O-N 3.36Å; V111-A114 PolarHBondContact O-N 3Å; V111-A114 VanDerWaalsContact O-N 3.1Å; V111-N115 VanDerWaalsContact O-CB 3.28Å; V111-N115 WeakPolarHBondContact O-CB 3.31Å; V111-N115 PolarHBondContact O-N 3.37Å
112G94.7Very high95.1Very high22 Ų2242.2 Ų42.223%0.22727%0.267CS..Hα-helixtrans-55.8-41.7174.200000113.8A108 R109 A110 N115 S116A108-G112 PolarHBondContact O-N 3.27Å; R109-G112 PolarHBondContact O-N 2.91Å; A110-G112 VanDerWaalsContact C-N 3.31Å; A110-G112 PolarHBondContact O-N 3.23Å; G112-N115 PolarHBondContact O-N 2.96Å; G112-S116 PolarHBondContact O-N 2.78Å
113L93.7Very high95.1Very high84 Ų8442.3 Ų42.344%0.4427%0.266SS..Hα-helixtrans-73.3-21.9177-69.4171.2000114.3R109 A110 V111 S116 R117R109-L113 WeakPolarHBondContact O-CG 3.31Å; R109-L113 PolarHBondContact O-N 3.46Å; R109-L113 VanDerWaalsContact O-N 3.14Å; A110-L113 PolarHBondContact O-N 2.8Å; A110-L113 VanDerWaalsContact O-N 3.14Å; V111-L113 VanDerWaalsContact C-N 3.31Å; V111-L113 PolarHBondContact O-N 3.36Å; L113-S116 PolarHBondContact O-OG 3.01Å; L113-R117 WeakPolarHBondContact O-CG 3.32Å; L113-R117 PolarHBondContact O-NH1 2.76Å
114A94.8Very high95.1Very high2 Ų239.3 Ų39.32%0.01724%0.236CC..Hα-helixtrans-83.2-40.8171.100000111.2F76 Q77 V80 W81 A110 V111 S116 R117 N118F76-A114 HydrophobicContact CD1-CB 4.39Å; F76-A114 HydrophobicContact CE1-CB 4.2Å; Q77-A114 HydrophobicContact CB-CB 4.48Å; Q77-A114 HydrophobicContact CG-CB 3.91Å; V80-A114 HydrophobicContact CB-CB 4Å; V80-A114 HydrophobicContact CG1-CB 3.93Å; V80-A114 HydrophobicContact CG2-CB 4.09Å; W81-A114 PolarHBondContact NE1-O 3.42Å; A110-A114 PolarHBondContact O-N 3.45Å; V111-A114 PolarHBondContact O-N 3Å; V111-A114 VanDerWaalsContact O-N 3.1Å; A114-S116 PolarHBondContact O-N 3.09Å; A114-R117 CarbonylContact O-C 3.54Å; A114-R117 WeakPolarHBondContact O-CA 3.46Å; A114-R117 PolarHBondContact O-N 3.43Å; A114-N118 PolarHBondContact O-N 3.02Å
115N93.4Very high95.1Very high7 Ų738.4 Ų38.44%0.03723%0.228CC..Hα-helixtrans-61.8-40.4175.6-164.765.1000111.8L84 Y95 V111 G112 R117 N118 C126L84-N115 WeakPolarHBondContact CD1-OD1 3.33Å; Y95-N115 HydrophobicContact CE1-CB 4.13Å; V111-N115 VanDerWaalsContact O-CB 3.28Å; V111-N115 WeakPolarHBondContact O-CB 3.31Å; V111-N115 PolarHBondContact O-N 3.37Å; G112-N115 PolarHBondContact O-N 2.96Å; N115-R117 PolarHBondContact O-N 2.82Å; N115-N118 WeakPolarHBondContact O-CB 3.49Å; N115-N118 PolarHBondContact O-N 3.23Å; N115-C126 PolarHBondContact ND2-O 3.26Å; N115-C126 VanDerWaalsContact OD1-CA 3.27Å; N115-C126 WeakPolarHBondContact OD1-CA 3.24Å; N115-C126 WeakPolarHBondContact OD1-CB 3.46Å
116S90.8Very high95Very high35 Ų3533.9 Ų33.925%0.24520%0.199CC..THydrogen-bonded Turntrans-68.2-15.5174.575.20000113.7Y33 G112 L113 A114Y33-S116 WeakPolarHBondContact CD2-O 3.4Å; G112-S116 PolarHBondContact O-N 2.78Å; L113-S116 PolarHBondContact O-OG 3.01Å; A114-S116 PolarHBondContact O-N 3.09Å
117R91.6Very high95.1Very high110 Ų11030 Ų3042%0.41516%0.159SC..THydrogen-bonded Turntrans-106.28.4179.1-72.3-176.2175.485.4-3.9113.1W81 L113 A114 N115 P119W81-R117 VanDerWaalsContact CZ2-O 3.28Å; W81-R117 WeakPolarHBondContact CZ2-O 3.27Å; L113-R117 WeakPolarHBondContact O-CG 3.32Å; L113-R117 PolarHBondContact O-NH1 2.76Å; A114-R117 CarbonylContact O-C 3.54Å; A114-R117 WeakPolarHBondContact O-CA 3.46Å; A114-R117 PolarHBondContact O-N 3.43Å; N115-R117 PolarHBondContact O-N 2.82Å; R117-P119 VanDerWaalsContact O-CD 3.31Å; R117-P119 WeakPolarHBondContact O-CD 3.34Å; R117-P119 VanDerWaalsContact O-N 3.16Å
118N93.4Very high95.2Very high11 Ų1129.6 Ų29.66%0.05915%0.152CC..  trans-54.6118.5173.717421.5000109.8A114 N115 I120 V124 C126A114-N118 PolarHBondContact O-N 3.02Å; N115-N118 WeakPolarHBondContact O-CB 3.49Å; N115-N118 PolarHBondContact O-N 3.23Å; N118-I120 VanDerWaalsContact C-N 3.35Å; N118-I120 PolarHBondContact ND2-O 3.31Å; N118-I120 PolarHBondContact OD1-N 3.11Å; N118-I120 PolarHBondContact OD1-O 2.9Å; N118-V124 WeakPolarHBondContact ND2-CB 3.46Å; N118-V124 PolarHBondContact ND2-O 3.48Å; N118-C126 HydrophobicContact CB-CB 4.14Å; N118-C126 PolarHBondContact ND2-SG 2.99Å
119P93Very high95.2Very high20 Ų2028 Ų2813%0.1314%0.139CC..SBendtrans-77.7-20.3-178.730.6-33.2000113N25 L26 L71 W81 R117N25-P119 CarbonylContact C-O 3.48Å; N25-P119 VanDerWaalsContact CA-O 3.29Å; N25-P119 WeakPolarHBondContact CA-O 3.41Å; L26-P119 PolarHBondContact N-O 2.84Å; L71-P119 HydrophobicContact CD2-CG 4.03Å; W81-P119 HydrophobicContact CH2-CG 4.26Å; W81-P119 HydrophobicContact CZ3-CG 4.45Å; R117-P119 VanDerWaalsContact O-CD 3.31Å; R117-P119 WeakPolarHBondContact O-CD 3.34Å; R117-P119 VanDerWaalsContact O-N 3.16Å
120I95.6Very high95.3Very high0 Ų018.5 Ų18.50%011%0.105CC..BIsolated β-bridgetrans-121.377.3-175.9-48.1-176.9000109.4L23 L26 L69 L71 N118 I123 V124L23-I120 HydrophobicContact CB-CD1 4.16Å; L23-I120 WeakPolarHBondContact O-CD1 3.16Å; L26-I120 HydrophobicContact CB-CB 4.39Å; L26-I120 HydrophobicContact CB-CG2 3.65Å; L26-I120 HydrophobicContact CD2-CG2 4.47Å; L69-I120 HydrophobicContact CB-CD1 4.01Å; L69-I120 HydrophobicContact CD2-CD1 3.88Å; L69-I120 HydrophobicContact CD2-CG2 4.32Å; L69-I120 HydrophobicContact CG-CD1 4.36Å; L71-I120 HydrophobicContact CD2-CB 4.35Å; L71-I120 HydrophobicContact CD2-CD1 3.61Å; L71-I120 HydrophobicContact CD2-CG1 3.86Å; N118-I120 VanDerWaalsContact C-N 3.35Å; N118-I120 PolarHBondContact ND2-O 3.31Å; N118-I120 PolarHBondContact OD1-N 3.11Å; N118-I120 PolarHBondContact OD1-O 2.9Å; I120-I123 HydrophobicContact CG2-CB 3.94Å; I120-I123 HydrophobicContact CG2-CD1 4.14Å; I120-I123 HydrophobicContact CG2-CG1 4.46Å; I120-V124 HydrophobicContact CB-CG2 4.32Å; I120-V124 VanDerWaalsContact O-CB 3.31Å; I120-V124 WeakPolarHBondContact O-CB 3.2Å; I120-V124 PolarHBondContact O-N 2.88Å
121A94.7Very high95.3Very high3 Ų317 Ų173%0.0259%0.093CC..THydrogen-bonded Turntrans-61161.4178.100000112.2L26 M28 I123L26-A121 WeakPolarHBondContact CD2-O 3.43Å; L26-A121 WeakPolarHBondContact CG-O 3.2Å; L26-A121 WeakPolarHBondContact O-CB 3.41Å; L26-A121 PolarHBondContact O-N 2.85Å; M28-A121 HydrophobicContact CE-CB 3.76Å; A121-I123 PolarHBondContact O-N 2.83Å
122I96.4Very high95Very high1 Ų121.6 Ų21.61%0.00513%0.131CC..THydrogen-bonded Turntrans66.7-62.3-174.4-50.5157.2000112.5I11 L14 L54 Y57 F58 F65 L149I11-I122 HydrophobicContact CD1-CD1 4.13Å; I11-I122 HydrophobicContact CD1-CG1 4.49Å; L14-I122 HydrophobicContact CD1-CD1 3.74Å; L14-I122 HydrophobicContact CD2-CD1 4.35Å; L54-I122 HydrophobicContact CD2-CD1 4.24Å; L54-I122 HydrophobicContact CD2-CG2 4.25Å; Y57-I122 HydrophobicContact CD1-CG2 3.87Å; Y57-I122 HydrophobicContact CE1-CG2 3.47Å; Y57-I122 VanDerWaalsContact CE1-CG2 3.47Å; Y57-I122 HydrophobicContact CE2-CG2 4.38Å; Y57-I122 HydrophobicContact CG-CG2 4.5Å; F58-I122 HydrophobicContact CE2-CD1 4.28Å; F58-I122 HydrophobicContact CZ-CD1 3.71Å; F65-I122 HydrophobicContact CE2-CG2 4.14Å; F65-I122 HydrophobicContact CZ-CG2 4.01Å; I122-L149 HydrophobicContact CG1-CD1 4.33Å; I122-L149 HydrophobicContact CG1-CD2 4.33Å
123I97.7Very high94.9Very high11 Ų1124.9 Ų24.96%0.05615%0.15CC..THydrogen-bonded Turntrans-65.8-49.2-176.9-60.1173.5000110.9L23 L26 L54 F65 L69 I120 A121 P125L23-I123 HydrophobicContact CD1-CD1 3.77Å; L26-I123 HydrophobicContact CD2-CD1 3.59Å; L26-I123 HydrophobicContact CD2-CG1 3.77Å; L54-I123 HydrophobicContact CD2-CG1 4.36Å; F65-I123 HydrophobicContact CB-CG2 3.9Å; F65-I123 HydrophobicContact CD1-CD1 4.37Å; F65-I123 HydrophobicContact CD1-CG1 3.9Å; F65-I123 HydrophobicContact CD2-CB 4.2Å; F65-I123 HydrophobicContact CD2-CG1 3.99Å; F65-I123 HydrophobicContact CD2-CG2 4.16Å; F65-I123 HydrophobicContact CE1-CG1 3.99Å; F65-I123 HydrophobicContact CE2-CG1 4.08Å; F65-I123 HydrophobicContact CG-CB 4.35Å; F65-I123 HydrophobicContact CG-CG1 3.9Å; F65-I123 HydrophobicContact CG-CG2 4.04Å; F65-I123 HydrophobicContact CZ-CG1 4.08Å; L69-I123 HydrophobicContact CD1-CG2 3.92Å; L69-I123 HydrophobicContact CD2-CG2 4.08Å; I120-I123 HydrophobicContact CG2-CB 3.94Å; I120-I123 HydrophobicContact CG2-CD1 4.14Å; I120-I123 HydrophobicContact CG2-CG1 4.46Å; A121-I123 PolarHBondContact O-N 2.83Å; I123-P125 WeakPolarHBondContact O-CD 3.24Å
124V97.5Very high94.6Very high0 Ų023.1 Ų23.10%015%0.153CC..SBendtrans-85.2110.8160.2178.30000105.8L69 L71 W81 L84 L85 N118 I120 C126L69-V124 HydrophobicContact CD1-CG2 4.04Å; L71-V124 HydrophobicContact CD1-CG2 4.1Å; L71-V124 HydrophobicContact CD2-CG2 4.01Å; W81-V124 HydrophobicContact CB-CG1 4.04Å; L84-V124 HydrophobicContact CB-CG1 3.84Å; L84-V124 HydrophobicContact CD1-CG1 3.86Å; L84-V124 HydrophobicContact CG-CG1 4.4Å; L85-V124 HydrophobicContact CD1-CG2 4.49Å; L85-V124 HydrophobicContact CD2-CG2 4.06Å; L85-V124 HydrophobicContact CG-CG2 4.28Å; N118-V124 WeakPolarHBondContact ND2-CB 3.46Å; N118-V124 PolarHBondContact ND2-O 3.48Å; I120-V124 HydrophobicContact CB-CG2 4.32Å; I120-V124 VanDerWaalsContact O-CB 3.31Å; I120-V124 WeakPolarHBondContact O-CB 3.2Å; I120-V124 PolarHBondContact O-N 2.88Å; V124-C126 VanDerWaalsContact C-N 3.27Å; V124-C126 PolarHBondContact O-N 3.01Å
125P97.2Very high94.3Very high1 Ų128.9 Ų28.91%0.00618%0.179CC..  trans-85.263.1-157.134.9-39.3000112.9L84 I87 I123 H127 R128L84-P125 HydrophobicContact CB-CG 4.44Å; L84-P125 WeakPolarHBondContact O-CD 3.43Å; L84-P125 WeakPolarHBondContact O-CG 3.22Å; I87-P125 HydrophobicContact CB-CG 4.49Å; I123-P125 WeakPolarHBondContact O-CD 3.24Å; P125-H127 PolarHBondContact O-N 2.84Å; P125-H127 VanDerWaalsContact O-N 3.1Å; P125-R128 HydrophobicContact CB-CB 4.4Å; P125-R128 HydrophobicContact CB-CG 3.91Å; P125-R128 WeakPolarHBondContact O-CB 3.47Å; P125-R128 PolarHBondContact O-N 2.9Å
126C95.5Very high94.2Very high6 Ų631.3 Ų31.34%0.04119%0.192CC..THydrogen-bonded Turntrans-63.8-13.3179.860.70000114.3L84 N115 N118 V124L84-C126 HydrophobicContact CD1-CB 4.06Å; N115-C126 PolarHBondContact ND2-O 3.26Å; N115-C126 VanDerWaalsContact OD1-CA 3.27Å; N115-C126 WeakPolarHBondContact OD1-CA 3.24Å; N115-C126 WeakPolarHBondContact OD1-CB 3.46Å; N118-C126 HydrophobicContact CB-CB 4.14Å; N118-C126 PolarHBondContact ND2-SG 2.99Å; V124-C126 VanDerWaalsContact C-N 3.27Å; V124-C126 PolarHBondContact O-N 3.01Å
127H96.3Very high94Very high0 Ų033.6 Ų33.60%020%0.2CC..THydrogen-bonded Turntrans-75-26.5170.257.4-71.4000113Y57 P125 V129 Y139 K146 L149 E153Y57-H127 PolarHBondContact OH-NE2 3.29Å; P125-H127 PolarHBondContact O-N 2.84Å; P125-H127 VanDerWaalsContact O-N 3.1Å; H127-V129 PolarHBondContact O-N 2.93Å; H127-Y139 HydrophobicContact CB-CD2 4.24Å; H127-Y139 HydrophobicContact CB-CE2 3.6Å; H127-K146 HydrophobicContact CB-CG 4.26Å; H127-K146 WeakPolarHBondContact O-CE 3.44Å; H127-L149 HydrophobicContact CB-CB 4.38Å; H127-L149 HydrophobicContact CB-CD1 4Å; H127-E153 IonicContact CD2-OE1 3.79Å; H127-E153 IonicContact CE1-OE1 3.72Å; H127-E153 IonicContact NE2-OE1 2.8Å; H127-E153 PolarHBondContact NE2-OE1 3.07Å
128R97.5Very high93.4Very high17 Ų1730.4 Ų30.46%0.06420%0.202CC..SBendtrans-74-7.9178.2-61.5-178-168.6146.77.4114I87 P88 E91 T92 R93 P125 E153I87-R128 HydrophobicContact CB-CB 4.4Å; I87-R128 HydrophobicContact CD1-CB 4.16Å; I87-R128 HydrophobicContact CG2-CB 3.77Å; I87-R128 HydrophobicContact CG2-CG 4.37Å; I87-R128 PolarHBondContact O-NH1 2.93Å; P88-R128 WeakPolarHBondContact O-CD 3.36Å; E91-R128 WeakPolarHBondContact O-CD 3.32Å; E91-R128 WeakPolarHBondContact O-CG 3.33Å; T92-R128 CarbonylContact C-O 3.6Å; T92-R128 WeakPolarHBondContact CA-O 3.3Å; T92-R128 WeakPolarHBondContact CB-O 3.39Å; R93-R128 PolarHBondContact N-O 3Å; P125-R128 HydrophobicContact CB-CB 4.4Å; P125-R128 HydrophobicContact CB-CG 3.91Å; P125-R128 WeakPolarHBondContact O-CB 3.47Å; P125-R128 PolarHBondContact O-N 2.9Å; R128-E153 IonicContact CZ-OE1 3.42Å; R128-E153 IonicContact CZ-OE2 3.44Å; R128-E153 IonicContact NE-OE1 3.2Å; R128-E153 PolarHBondContact NE-OE1 2.9Å; R128-E153 IonicContact NE-OE2 2.75Å; R128-E153 PolarHBondContact NE-OE2 3.08Å; R128-E153 VanDerWaalsContact NH2-CD 3.34Å; R128-E153 IonicContact NH2-OE1 2.77Å; R128-E153 PolarHBondContact NH2-OE1 2.91Å; R128-E153 IonicContact NH2-OE2 3.38Å; R128-E153 PolarHBondContact NH2-OE2 2.92Å
129V97.8Very high93Very high0 Ų030.8 Ų30.80%020%0.203CC..EExtended strand (participates in β ladder)trans-89.7122.2179-165.20000111.4L84 I87 R93 Y95 I98 H127 K146L84-V129 HydrophobicContact CD2-CG2 3.33Å; I87-V129 HydrophobicContact CD1-CG2 4.03Å; R93-V129 CarbonylContact O-C 3.49Å; R93-V129 VanDerWaalsContact O-CA 3.24Å; R93-V129 WeakPolarHBondContact O-CA 3.48Å; Y95-V129 HydrophobicContact CD1-CG1 3.45Å; Y95-V129 VanDerWaalsContact CD1-CG1 3.45Å; Y95-V129 HydrophobicContact CD2-CG1 4.03Å; Y95-V129 HydrophobicContact CE1-CB 4.08Å; Y95-V129 HydrophobicContact CE1-CG1 3.44Å; Y95-V129 VanDerWaalsContact CE1-CG1 3.44Å; Y95-V129 HydrophobicContact CE2-CG1 4.03Å; Y95-V129 HydrophobicContact CG-CG1 3.73Å; I98-V129 HydrophobicContact CG1-CG1 4.41Å; H127-V129 PolarHBondContact O-N 2.93Å; V129-K146 WeakPolarHBondContact O-CE 3.28Å; V129-K146 PolarHBondContact O-NZ 2.89Å
130I97Very high92.4Very high19 Ų1930.5 Ų30.510%0.09720%0.203CC..EExtended strand (participates in β ladder)trans-125.9174.6-174.664.5176.3000113.2T92 R93 S94 Y95 L136 L150T92-I130 HydrophobicContact CG2-CD1 4.29Å; T92-I130 HydrophobicContact CG2-CG2 4.27Å; T92-I130 WeakPolarHBondContact OG1-CD1 3.41Å; R93-I130 PolarHBondContact O-N 3.14Å; S94-I130 VanDerWaalsContact CA-O 3.28Å; S94-I130 WeakPolarHBondContact CA-O 3.38Å; Y95-I130 WeakPolarHBondContact CD2-O 3.32Å; Y95-I130 PolarHBondContact N-O 3.32Å; Y95-I130 VanDerWaalsContact N-O 3.13Å; I130-L136 HydrophobicContact CG2-CD2 3.77Å; I130-L150 HydrophobicContact CG2-CD1 4.49Å
131G95.2Very high91.8Very high8 Ų830.9 Ų30.98%0.08221%0.207CC..  trans-70.2152.4173.600000112S133 G134 Q135G131-S133 PolarHBondContact O-N 3.34Å; G131-S133 VanDerWaalsContact O-N 3.09Å; G131-G134 PolarHBondContact O-N 3.28Å; G131-Q135 PolarHBondContact N-O 3.24Å
132A92.3Very high91.5Very high97 Ų9732.3 Ų32.380%0.80222%0.222SC*.THydrogen-bonded Turntrans-58.6-25.5-174.100000115
133S91.5Very high91.3Very high90 Ų9036.3 Ų36.363%0.62924%0.243SC*.THydrogen-bonded Turntrans-98.230.8173.3830000113G131 Q135G131-S133 PolarHBondContact O-N 3.34Å; G131-S133 VanDerWaalsContact O-N 3.09Å; S133-Q135 VanDerWaalsContact C-N 3.3Å; S133-Q135 PolarHBondContact O-N 2.91Å; S133-Q135 VanDerWaalsContact OG-CG 3.29Å; S133-Q135 WeakPolarHBondContact OG-CG 3.46Å; S133-Q135 PolarHBondContact OG-NE2 3.01Å
134G87.3Confident91.1Very high48 Ų4842.3 Ų42.350%0.49528%0.275SS..SBendtrans77.80.9178.900000116.2G131G131-G134 PolarHBondContact O-N 3.28Å
135Q89.9Confident90.9Very high122 Ų12244.4 Ų44.457%0.5728%0.283SS*.  trans-76.9139.5-170.8-45.7-16830.700112.6G131 S133 I137G131-Q135 PolarHBondContact N-O 3.24Å; S133-Q135 VanDerWaalsContact C-N 3.3Å; S133-Q135 PolarHBondContact O-N 2.91Å; S133-Q135 VanDerWaalsContact OG-CG 3.29Å; S133-Q135 WeakPolarHBondContact OG-CG 3.46Å; S133-Q135 PolarHBondContact OG-NE2 3.01Å; Q135-I137 HydrophobicContact CB-CG2 4.32Å; Q135-I137 PolarHBondContact O-N 3.21Å
136L89.8Confident90.9Very high59 Ų5944.3 Ų44.331%0.30928%0.283SS..  trans-75.790.1173.3-59.2-174.4000110.8I130 L143 L147 L150I130-L136 HydrophobicContact CG2-CD2 3.77Å; L136-L143 WeakPolarHBondContact O-CD2 3.47Å; L136-L147 HydrophobicContact CD1-CB 4.34Å; L136-L147 HydrophobicContact CD1-CD1 3.43Å; L136-L147 VanDerWaalsContact CD1-CD1 3.43Å; L136-L147 HydrophobicContact CD1-CG 4.5Å; L136-L150 HydrophobicContact CD1-CD1 4.49Å; L136-L150 HydrophobicContact CD2-CD1 3.42Å; L136-L150 VanDerWaalsContact CD2-CD1 3.42Å
137I87.5Confident90.9Very high82 Ų8248.1 Ų48.142%0.42130%0.302SS..  trans-112.5145172.563174.3000109.9Y95 Q135 K146Y95-I137 HydrophobicContact CD2-CD1 4.24Å; Y95-I137 HydrophobicContact CD2-CG1 4.41Å; Y95-I137 HydrophobicContact CE2-CD1 4.12Å; Y95-I137 HydrophobicContact CE2-CG1 3.85Å; Y95-I137 PolarHBondContact OH-O 3.38Å; Q135-I137 HydrophobicContact CB-CG2 4.32Å; Q135-I137 PolarHBondContact O-N 3.21Å; I137-K146 PolarHBondContact O-NZ 2.87Å
138G79.6Confident90.8Very high43 Ų4351.4 Ų51.444%0.44332%0.322SS..  trans65.2119.3170.600000116.4K146G138-K146 PolarHBondContact O-NZ 3.37Å
139Y84.9Confident90.8Very high20 Ų2050.7 Ų50.78%0.07832%0.32CS..  trans-157.3136.9162.9-166.5-125.1000110.6M28 H127 G141 G142 R145 K146 L149M28-Y139 HydrophobicContact CE-CE1 3.72Å; M28-Y139 HydrophobicContact SD-CE1 3.61Å; H127-Y139 HydrophobicContact CB-CD2 4.24Å; H127-Y139 HydrophobicContact CB-CE2 3.6Å; Y139-G141 PolarHBondContact O-N 3.44Å; Y139-G142 VanDerWaalsContact CD1-O 3.32Å; Y139-G142 WeakPolarHBondContact CD1-O 3.39Å; Y139-G142 PolarHBondContact O-N 3.2Å; Y139-G142 VanDerWaalsContact O-N 3.12Å; Y139-R145 HydrophobicContact CD1-CB 4.38Å; Y139-R145 HydrophobicContact CE1-CB 4.05Å; Y139-K146 HydrophobicContact CD1-CB 3.83Å; Y139-K146 HydrophobicContact CD2-CB 4.26Å; Y139-K146 HydrophobicContact CD2-CD 4.13Å; Y139-K146 HydrophobicContact CE1-CB 4.38Å; Y139-K146 HydrophobicContact CG-CB 3.75Å; Y139-K146 HydrophobicContact CG-CD 4.07Å; Y139-K146 HydrophobicContact CG-CG 4.41Å; Y139-L149 HydrophobicContact CE1-CD1 4.35Å; Y139-L149 VanDerWaalsContact OH-CD1 3.31Å; Y139-L149 WeakPolarHBondContact OH-CD1 3.18Å
140G79.9Confident90.7Very high14 Ų1451 Ų5114%0.14432%0.321CS..THydrogen-bonded Turntrans-59-36.5-179.400000113Q31 T32Q31-G140 CarbonylContact C-O 3.46Å; Q31-G140 WeakPolarHBondContact CA-O 3.35Å; T32-G140 PolarHBondContact N-O 3.15Å; T32-G140 PolarHBondContact OG1-O 2.75Å
141G82Confident90.6Very high8 Ų853 Ų538%0.08233%0.33CS..THydrogen-bonded Turntrans-92.27.9177.400000116Y139 R145Y139-G141 PolarHBondContact O-N 3.44Å; G141-R145 VanDerWaalsContact O-CD 3.28Å; G141-R145 WeakPolarHBondContact O-CD 3.43Å; G141-R145 PolarHBondContact O-NH1 2.97Å; G141-R145 VanDerWaalsContact O-NH1 3.14Å
142G89.6Confident90.7Very high33 Ų3354.2 Ų54.234%0.3434%0.335SS..  trans89.3151.4-179.500000115.5Y139 N144 R145 K146Y139-G142 VanDerWaalsContact CD1-O 3.32Å; Y139-G142 WeakPolarHBondContact CD1-O 3.39Å; Y139-G142 PolarHBondContact O-N 3.2Å; Y139-G142 VanDerWaalsContact O-N 3.12Å; G142-N144 VanDerWaalsContact C-N 3.3Å; G142-N144 PolarHBondContact O-N 3.43Å; G142-R145 PolarHBondContact O-N 3.42Å; G142-K146 PolarHBondContact O-N 2.93Å
143L92.1Very high90.9Very high84 Ų8449.7 Ų49.744%0.4430%0.297SS..Hα-helixtrans-62.3-31.4-170.3-68.4179.3000114.3L136 K146 L147L136-L143 WeakPolarHBondContact O-CD2 3.47Å; L143-K146 HydrophobicContact CD2-CD 4.5Å; L143-K146 PolarHBondContact O-N 3.04Å; L143-L147 PolarHBondContact O-N 3.27Å
144N92.5Very high90.9Very high138 Ų13849.5 Ų49.574%0.73829%0.285SS*.Hα-helixtrans-61-49.1177.8-65.3-3000111.3G142 K146 L147 T148G142-N144 VanDerWaalsContact C-N 3.3Å; G142-N144 PolarHBondContact O-N 3.43Å; N144-K146 VanDerWaalsContact C-N 3.29Å; N144-K146 PolarHBondContact O-N 2.86Å; N144-L147 PolarHBondContact O-N 2.89Å; N144-T148 PolarHBondContact O-N 3.47Å; N144-T148 PolarHBondContact O-OG1 2.96Å; N144-T148 VanDerWaalsContact O-OG1 3.09Å
145R94.4Very high90.8Very high43 Ų4353.1 Ų53.116%0.16229%0.289CS..Hα-helixtrans-61.1-38.8177.2-62.8-170.2175133.5-20.5111.8I11 M28 V29 Y139 G141 G142 T148 L149I11-R145 HydrophobicContact CB-CB 4.25Å; I11-R145 HydrophobicContact CB-CG 4.03Å; I11-R145 HydrophobicContact CG2-CB 4.39Å; I11-R145 WeakPolarHBondContact O-CD 3.26Å; I11-R145 PolarHBondContact O-NE 3.09Å; M28-R145 HydrophobicContact SD-CB 4.38Å; M28-R145 WeakPolarHBondContact SD-CD 3.33Å; V29-R145 PolarHBondContact O-NH1 2.72Å; V29-R145 VanDerWaalsContact O-NH1 3.08Å; V29-R145 PolarHBondContact O-NH2 2.7Å; Y139-R145 HydrophobicContact CD1-CB 4.38Å; Y139-R145 HydrophobicContact CE1-CB 4.05Å; G141-R145 VanDerWaalsContact O-CD 3.28Å; G141-R145 WeakPolarHBondContact O-CD 3.43Å; G141-R145 PolarHBondContact O-NH1 2.97Å; G141-R145 VanDerWaalsContact O-NH1 3.14Å; G142-R145 PolarHBondContact O-N 3.42Å; R145-T148 PolarHBondContact O-N 3.26Å; R145-L149 VanDerWaalsContact O-CG 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.22Å; R145-L149 PolarHBondContact O-N 2.92Å
146K95.7Very high90.5Very high0 Ų050.6 Ų50.60%028%0.277CS..Hα-helixtrans-63.6-43.9175.9176.6165.4175.5170.20112.4H127 V129 I137 G138 Y139 G142 L143 N144 L149 L150H127-K146 HydrophobicContact CB-CG 4.26Å; H127-K146 WeakPolarHBondContact O-CE 3.44Å; V129-K146 WeakPolarHBondContact O-CE 3.28Å; V129-K146 PolarHBondContact O-NZ 2.89Å; I137-K146 PolarHBondContact O-NZ 2.87Å; G138-K146 PolarHBondContact O-NZ 3.37Å; Y139-K146 HydrophobicContact CD1-CB 3.83Å; Y139-K146 HydrophobicContact CD2-CB 4.26Å; Y139-K146 HydrophobicContact CD2-CD 4.13Å; Y139-K146 HydrophobicContact CE1-CB 4.38Å; Y139-K146 HydrophobicContact CG-CB 3.75Å; Y139-K146 HydrophobicContact CG-CD 4.07Å; Y139-K146 HydrophobicContact CG-CG 4.41Å; G142-K146 PolarHBondContact O-N 2.93Å; L143-K146 HydrophobicContact CD2-CD 4.5Å; L143-K146 PolarHBondContact O-N 3.04Å; N144-K146 VanDerWaalsContact C-N 3.29Å; N144-K146 PolarHBondContact O-N 2.86Å; K146-L149 PolarHBondContact O-N 3.14Å; K146-L150 HydrophobicContact CG-CD1 3.9Å; K146-L150 HydrophobicContact CG-CG 4.5Å; K146-L150 WeakPolarHBondContact O-CB 3.06Å; K146-L150 VanDerWaalsContact O-CG 3.29Å; K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 3.16Å
147L95.2Very high89.9Confident86 Ų8650.6 Ų50.645%0.4528%0.279SS..Hα-helixtrans-61.6-48175-173.876.1000110.5L136 L143 N144 L149 L150 E151L136-L147 HydrophobicContact CD1-CB 4.34Å; L136-L147 HydrophobicContact CD1-CD1 3.43Å; L136-L147 VanDerWaalsContact CD1-CD1 3.43Å; L136-L147 HydrophobicContact CD1-CG 4.5Å; L143-L147 PolarHBondContact O-N 3.27Å; N144-L147 PolarHBondContact O-N 2.89Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 3.3Å; L147-L150 PolarHBondContact O-N 3.37Å; L147-E151 WeakPolarHBondContact CD1-OE2 3.33Å; L147-E151 PolarHBondContact O-N 3.45Å
148T95.3Very high89.4Confident69 Ų6951.7 Ų51.742%0.42329%0.285SS..Hα-helixtrans-56.3-44.8177.2-56.70000112.4I11 N144 R145 L152I11-T148 HydrophobicContact CG2-CG2 3.84Å; N144-T148 PolarHBondContact O-N 3.47Å; N144-T148 PolarHBondContact O-OG1 2.96Å; N144-T148 VanDerWaalsContact O-OG1 3.09Å; R145-T148 PolarHBondContact O-N 3.26Å; T148-L152 VanDerWaalsContact O-CB 3.24Å; T148-L152 WeakPolarHBondContact O-CB 3.38Å; T148-L152 PolarHBondContact O-N 3.11Å
149L96.9Very high89.2Confident1 Ų152.7 Ų52.71%0.00528%0.283CS..Hα-helixtrans-65.3-45.7177.1-69.9165.9000112.1I11 Y57 F58 I122 H127 Y139 R145 K146 L147 L152 E153I11-L149 HydrophobicContact CD1-CD1 4.08Å; I11-L149 HydrophobicContact CD1-CD2 4.27Å; I11-L149 HydrophobicContact CD1-CG 4.34Å; I11-L149 HydrophobicContact CG2-CG 4.36Å; Y57-L149 HydrophobicContact CE1-CD2 3.76Å; F58-L149 HydrophobicContact CE1-CD2 3.93Å; I122-L149 HydrophobicContact CG1-CD1 4.33Å; I122-L149 HydrophobicContact CG1-CD2 4.33Å; H127-L149 HydrophobicContact CB-CB 4.38Å; H127-L149 HydrophobicContact CB-CD1 4Å; Y139-L149 HydrophobicContact CE1-CD1 4.35Å; Y139-L149 VanDerWaalsContact OH-CD1 3.31Å; Y139-L149 WeakPolarHBondContact OH-CD1 3.18Å; R145-L149 VanDerWaalsContact O-CG 3.31Å; R145-L149 WeakPolarHBondContact O-CG 3.22Å; R145-L149 PolarHBondContact O-N 2.92Å; K146-L149 PolarHBondContact O-N 3.14Å; L147-L149 VanDerWaalsContact C-N 3.33Å; L147-L149 PolarHBondContact O-N 3.3Å; L149-L152 PolarHBondContact O-N 2.89Å; L149-E153 WeakPolarHBondContact O-CG 3.41Å; L149-E153 PolarHBondContact O-N 2.74Å; L149-E153 VanDerWaalsContact O-N 3.09Å
150L96.8Very high88.5Confident6 Ų654.5 Ų54.53%0.03130%0.299CS..Hα-helixtrans-65.7-42.5-178.1-74171.6000113T92 I130 L136 K146 L147 E153 K154T92-L150 HydrophobicContact CG2-CD2 3.71Å; I130-L150 HydrophobicContact CG2-CD1 4.49Å; L136-L150 HydrophobicContact CD1-CD1 4.49Å; L136-L150 HydrophobicContact CD2-CD1 3.42Å; L136-L150 VanDerWaalsContact CD2-CD1 3.42Å; K146-L150 HydrophobicContact CG-CD1 3.9Å; K146-L150 HydrophobicContact CG-CG 4.5Å; K146-L150 WeakPolarHBondContact O-CB 3.06Å; K146-L150 VanDerWaalsContact O-CG 3.29Å; K146-L150 WeakPolarHBondContact O-CG 3.45Å; K146-L150 PolarHBondContact O-N 3.16Å; L147-L150 PolarHBondContact O-N 3.37Å; L150-E153 PolarHBondContact O-N 3.4Å; L150-K154 WeakPolarHBondContact O-CG 3.38Å; L150-K154 PolarHBondContact O-N 3.16Å
151E94.9Very high88.3Confident61 Ų6159 Ų5929%0.28532%0.319SS..Hα-helixtrans-76.6-27.7178.2-9357.8-143.100112.3L147 K154 H155L147-E151 WeakPolarHBondContact CD1-OE2 3.33Å; L147-E151 PolarHBondContact O-N 3.45Å; E151-K154 HydrophobicContact CG-CD 4.49Å; E151-K154 PolarHBondContact O-N 2.9Å; E151-K154 WeakPolarHBondContact OE1-CD 3.45Å; E151-K154 WeakPolarHBondContact OE1-CE 3.19Å; E151-K154 IonicContact OE1-NZ 2.66Å; E151-K154 PolarHBondContact OE1-NZ 3.28Å; E151-H155 WeakPolarHBondContact O-CB 3.4Å; E151-H155 PolarHBondContact O-CD2 3.08Å; E151-H155 VanDerWaalsContact O-CG 3.32Å; E151-H155 PolarHBondContact O-N 2.81Å
152L95.6Very high87.8Confident35 Ų3562.9 Ų62.918%0.18334%0.341CS..Hα-helixtrans-56.6-50.3165.4174.8152.1000110.8Y57 F58 T148 L149 H155 Q156Y57-L152 HydrophobicContact CE1-CD2 4.32Å; Y57-L152 HydrophobicContact CE2-CD2 4.5Å; F58-L152 HydrophobicContact CD1-CD1 4.21Å; T148-L152 VanDerWaalsContact O-CB 3.24Å; T148-L152 WeakPolarHBondContact O-CB 3.38Å; T148-L152 PolarHBondContact O-N 3.11Å; L149-L152 PolarHBondContact O-N 2.89Å; L152-H155 PolarHBondContact O-N 3.06Å; L152-Q156 PolarHBondContact O-N 3.1Å
153E96.8Very high86.6Confident1 Ų167.5 Ų67.51%0.00536%0.357CS..Hα-helixtrans-66.1-41.5-179-64-173.7-178.500112.2Y57 Y89 G90 H127 R128 L149 L150 Q156 V157Y57-E153 HydrophobicContact CE2-CG 4.31Å; Y57-E153 PolarHBondContact OH-OE1 2.69Å; Y89-E153 HydrophobicContact CD1-CB 4.09Å; Y89-E153 HydrophobicContact CD1-CG 4.39Å; Y89-E153 HydrophobicContact CD2-CG 3.92Å; Y89-E153 HydrophobicContact CE1-CB 3.75Å; Y89-E153 HydrophobicContact CE1-CG 4.09Å; Y89-E153 WeakPolarHBondContact CE1-O 3.34Å; Y89-E153 HydrophobicContact CE2-CB 4.24Å; Y89-E153 HydrophobicContact CE2-CG 3.63Å; Y89-E153 HydrophobicContact CG-CB 4.45Å; Y89-E153 HydrophobicContact CG-CG 4.32Å; G90-E153 PolarHBondContact N-OE2 2.87Å; H127-E153 IonicContact CD2-OE1 3.79Å; H127-E153 IonicContact CE1-OE1 3.72Å; H127-E153 IonicContact NE2-OE1 2.8Å; H127-E153 PolarHBondContact NE2-OE1 3.07Å; R128-E153 IonicContact CZ-OE1 3.42Å; R128-E153 IonicContact CZ-OE2 3.44Å; R128-E153 IonicContact NE-OE1 3.2Å; R128-E153 PolarHBondContact NE-OE1 2.9Å; R128-E153 IonicContact NE-OE2 2.75Å; R128-E153 PolarHBondContact NE-OE2 3.08Å; R128-E153 VanDerWaalsContact NH2-CD 3.34Å; R128-E153 IonicContact NH2-OE1 2.77Å; R128-E153 PolarHBondContact NH2-OE1 2.91Å; R128-E153 IonicContact NH2-OE2 3.38Å; R128-E153 PolarHBondContact NH2-OE2 2.92Å; L149-E153 WeakPolarHBondContact O-CG 3.41Å; L149-E153 PolarHBondContact O-N 2.74Å; L149-E153 VanDerWaalsContact O-N 3.09Å; L150-E153 PolarHBondContact O-N 3.4Å; E153-Q156 PolarHBondContact O-N 3.38Å; E153-V157 WeakPolarHBondContact O-CG2 3.03Å; E153-V157 PolarHBondContact O-N 3.06Å; E153-V157 VanDerWaalsContact O-N 3.13Å
154K91.8Very high85.2Confident87 Ų8771.8 Ų71.838%0.37837%0.372SS..Hα-helixtrans-64.8-42.7177-75.5171.1179.9178.40113.3L150 E151 Q156 V157 L158L150-K154 WeakPolarHBondContact O-CG 3.38Å; L150-K154 PolarHBondContact O-N 3.16Å; E151-K154 HydrophobicContact CG-CD 4.49Å; E151-K154 PolarHBondContact O-N 2.9Å; E151-K154 WeakPolarHBondContact OE1-CD 3.45Å; E151-K154 WeakPolarHBondContact OE1-CE 3.19Å; E151-K154 IonicContact OE1-NZ 2.66Å; E151-K154 PolarHBondContact OE1-NZ 3.28Å; K154-Q156 PolarHBondContact O-N 2.94Å; K154-V157 PolarHBondContact O-N 2.84Å; K154-L158 WeakPolarHBondContact O-CG 3.3Å; K154-L158 PolarHBondContact O-N 3.09Å
155H86.6Confident83.3Confident123 Ų12374.8 Ų74.857%0.56939%0.389SS*.Hα-helixtrans-58.9-38.7178.2-82-54.7000111.4E151 L152 L158 T159E151-H155 WeakPolarHBondContact O-CB 3.4Å; E151-H155 PolarHBondContact O-CD2 3.08Å; E151-H155 VanDerWaalsContact O-CG 3.32Å; E151-H155 PolarHBondContact O-N 2.81Å; L152-H155 PolarHBondContact O-N 3.06Å; H155-L158 PolarHBondContact O-N 2.84Å; H155-T159 WeakPolarHBondContact O-CB 3.38Å; H155-T159 PolarHBondContact O-N 3.48Å; H155-T159 PolarHBondContact O-OG1 2.96Å
156Q82.1Confident82.7Confident69 Ų6976.4 Ų76.432%0.32240%0.4SS..Hα-helixtrans-74.6-36.1-179.9-172.662.6-14.600113G60 Y89 L152 E153 K154 T159 S160G60-Q156 WeakPolarHBondContact O-CG 3.4Å; G60-Q156 PolarHBondContact O-NE2 3.2Å; Y89-Q156 HydrophobicContact CE1-CB 4.1Å; Y89-Q156 HydrophobicContact CE1-CG 4.41Å; L152-Q156 PolarHBondContact O-N 3.1Å; E153-Q156 PolarHBondContact O-N 3.38Å; K154-Q156 PolarHBondContact O-N 2.94Å; Q156-T159 PolarHBondContact O-N 3.03Å; Q156-S160 WeakPolarHBondContact O-CB 3.22Å; Q156-S160 PolarHBondContact O-N 3.31Å
157V78.7Confident82Confident60 Ų6080.4 Ų80.436%0.36442%0.421SS..Hα-helixtrans-61-43.5170.3172.20000111.4Y89 E153 K154 S160 L161Y89-V157 HydrophobicContact CD1-CG2 4.08Å; Y89-V157 HydrophobicContact CE1-CG2 4.32Å; E153-V157 WeakPolarHBondContact O-CG2 3.03Å; E153-V157 PolarHBondContact O-N 3.06Å; E153-V157 VanDerWaalsContact O-N 3.13Å; K154-V157 PolarHBondContact O-N 2.84Å; V157-S160 PolarHBondContact O-N 2.65Å; V157-L161 HydrophobicContact CG1-CD1 4.26Å; V157-L161 WeakPolarHBondContact O-CG 3.27Å; V157-L161 PolarHBondContact O-N 3.23Å; V157-L161 VanDerWaalsContact O-N 3.11Å
158L76.5Confident81.3Confident104 Ų10480.1 Ų80.155%0.54542%0.419SS..Hα-helixtrans-65.3-44.9177.6-70.7171.1000112.3K154 H155 S160 L161 T162K154-L158 WeakPolarHBondContact O-CG 3.3Å; K154-L158 PolarHBondContact O-N 3.09Å; H155-L158 PolarHBondContact O-N 2.84Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 3.38Å; L158-L161 PolarHBondContact O-N 3.06Å; L158-T162 PolarHBondContact O-N 2.91Å; L158-T162 PolarHBondContact O-OG1 2.83Å
159T74.3Confident80.5Confident64 Ų6480.7 Ų80.739%0.39342%0.419SS..Hα-helixtrans-59.2-45.4176.6-57.40000111H155 Q156 L161 T162 L163H155-T159 WeakPolarHBondContact O-CB 3.38Å; H155-T159 PolarHBondContact O-N 3.48Å; H155-T159 PolarHBondContact O-OG1 2.96Å; Q156-T159 PolarHBondContact O-N 3.03Å; T159-L161 PolarHBondContact O-N 3.31Å; T159-T162 WeakPolarHBondContact CA-OG1 3.38Å; T159-T162 PolarHBondContact O-N 3.14Å; T159-T162 PolarHBondContact O-OG1 2.78Å; T159-L163 HydrophobicContact CG2-CD1 4.21Å; T159-L163 WeakPolarHBondContact O-CG 3.22Å; T159-L163 PolarHBondContact O-N 3.15Å
160S71.8Confident79.4Confident59 Ų5985.7 Ų85.741%0.41345%0.445SS..Hα-helixtrans-58.1-44.8177-174.30000112.2Q156 V157 L158 L163 F164Q156-S160 WeakPolarHBondContact O-CB 3.22Å; Q156-S160 PolarHBondContact O-N 3.31Å; V157-S160 PolarHBondContact O-N 2.65Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 3.38Å; S160-L163 PolarHBondContact O-N 2.9Å; S160-F164 WeakPolarHBondContact O-CD2 3.44Å; S160-F164 WeakPolarHBondContact O-CE2 3.47Å
161L73.8Confident78.3Confident109 Ų10991 Ų9157%0.57147%0.472SS*.Hα-helixtrans-62.2-46.6176.6-70.8167.4000112.2V157 L158 T159 L163 F164V157-L161 HydrophobicContact CG1-CD1 4.26Å; V157-L161 WeakPolarHBondContact O-CG 3.27Å; V157-L161 PolarHBondContact O-N 3.23Å; V157-L161 VanDerWaalsContact O-N 3.11Å; L158-L161 PolarHBondContact O-N 3.06Å; T159-L161 PolarHBondContact O-N 3.31Å; L161-L163 PolarHBondContact O-N 3.32Å; L161-L163 VanDerWaalsContact O-N 3.17Å; L161-F164 PolarHBondContact O-N 2.87Å
162T72Confident77.1Confident88 Ų8893.1 Ų93.154%0.5449%0.486SS..Hα-helixtrans-68.9-10.9-17854.30000115.1L158 T159 F164L158-T162 PolarHBondContact O-N 2.91Å; L158-T162 PolarHBondContact O-OG1 2.83Å; T159-T162 WeakPolarHBondContact CA-OG1 3.38Å; T159-T162 PolarHBondContact O-N 3.14Å; T159-T162 PolarHBondContact O-OG1 2.78Å; T162-F164 VanDerWaalsContact C-N 3.3Å
163L64.1Low75.7Confident131 Ų13197.6 Ų97.669%0.68651%0.509SS*.THydrogen-bonded Turntrans-83.9-4.6175.4-73.8166.8000113.1T159 S160 L161T159-L163 HydrophobicContact CG2-CD1 4.21Å; T159-L163 WeakPolarHBondContact O-CG 3.22Å; T159-L163 PolarHBondContact O-N 3.15Å; S160-L163 PolarHBondContact O-N 2.9Å; L161-L163 PolarHBondContact O-N 3.32Å; L161-L163 VanDerWaalsContact O-N 3.17Å
164F64.5Low73.9Confident173 Ų173105.7 Ų105.776%0.75955%0.551SS**  trans-112.35.9177.9-61.5-69.4000114.1S160 L161 T162S160-F164 WeakPolarHBondContact O-CD2 3.44Å; S160-F164 WeakPolarHBondContact O-CE2 3.47Å; L161-F164 PolarHBondContact O-N 2.87Å; T162-F164 VanDerWaalsContact C-N 3.3Å
165D50.7Low72.3Confident201 Ų201107.4 Ų107.4100%1.07557%0.567SS**  trans-96.20173.2-70.2-36.8000112.1

Retrieved 165 of 165 residues in 1353.5 ms (Link to these results)

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