A0A060WH28_ONCMY Loading...

P53 apoptosis effector related to PMP-22

AlphaFold DB , UniProt , Accession A0A060WH28, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 185 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
1M41.1Very low53.9Low230 Ų230120.7 Ų120.7100%1.13360%0.595SS**  0101.90-167.7178.4179.700107.9R3M1-R3 PolarHBondContact O-N 3.24Å; M1-R3 VanDerWaalsContact O-N 3.16Å
2F33.2Very low55.9Low205 Ų205115.7 Ų115.790%0.89956%0.564SS**  trans-72108.8-177.2-78.1-82.7000109.6C4F2-C4 VanDerWaalsContact C-N 3.29Å; F2-C4 PolarHBondContact O-N 3.25Å
3R42.2Very low58.1Low205 Ų205118.5 Ų118.577%0.77457%0.565SS**  trans-76.182.5169.7-67.3-175.8177.5-162.80.4108.2M1 G5M1-R3 PolarHBondContact O-N 3.24Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-G5 PolarHBondContact O-N 2.61Å
4C49.6Very low60.2Low112 Ų112116.5 Ų116.576%0.75756%0.558SS**  trans-79.192.5167.4-90.10000109F2F2-C4 VanDerWaalsContact C-N 3.29Å; F2-C4 PolarHBondContact O-N 3.25Å
5G52.6Low62.3Low34 Ų34109.6 Ų109.635%0.35153%0.526SS..  trans-102.6138.5160.200000109R3 A7R3-G5 PolarHBondContact O-N 2.61Å; G5-A7 PolarHBondContact O-N 3.27Å; G5-A7 VanDerWaalsContact O-N 3.1Å
6I56Low64.2Low106 Ų106102.9 Ų102.954%0.54450%0.495SS..  trans-68.4109.1171.5-65173.6000107.4Y8I6-Y8 HydrophobicContact CB-CE2 4.24Å; I6-Y8 HydrophobicContact CG2-CD1 4.42Å; I6-Y8 HydrophobicContact CG2-CD2 4.1Å; I6-Y8 HydrophobicContact CG2-CE1 4.33Å; I6-Y8 HydrophobicContact CG2-CE2 4Å; I6-Y8 HydrophobicContact CG2-CG 4.31Å; I6-Y8 WeakPolarHBondContact O-CD2 3.07Å; I6-Y8 PolarHBondContact O-N 3.31Å; I6-Y8 VanDerWaalsContact O-N 3.16Å
7A58Low66Low28 Ų28102.3 Ų102.323%0.23149%0.494CS..  trans-81.886.7170.400000108.6G5 P9 R10 C11G5-A7 PolarHBondContact O-N 3.27Å; G5-A7 VanDerWaalsContact O-N 3.1Å; A7-P9 VanDerWaalsContact C-N 3.25Å; A7-P9 VanDerWaalsContact O-N 3.11Å; A7-R10 PolarHBondContact O-N 3.31Å; A7-C11 PolarHBondContact O-N 3.29Å
8Y62.1Low67.6Low93 Ų9399.7 Ų99.737%0.36548%0.483SS..THydrogen-bonded Turntrans-42.9-38.4175.9-73.1-87000115.4I6 R10 C11 R12 E171I6-Y8 HydrophobicContact CB-CE2 4.24Å; I6-Y8 HydrophobicContact CG2-CD1 4.42Å; I6-Y8 HydrophobicContact CG2-CD2 4.1Å; I6-Y8 HydrophobicContact CG2-CE1 4.33Å; I6-Y8 HydrophobicContact CG2-CE2 4Å; I6-Y8 HydrophobicContact CG2-CG 4.31Å; I6-Y8 WeakPolarHBondContact O-CD2 3.07Å; I6-Y8 PolarHBondContact O-N 3.31Å; I6-Y8 VanDerWaalsContact O-N 3.16Å; Y8-R10 VanDerWaalsContact C-N 3.3Å; Y8-R10 PolarHBondContact O-N 3.35Å; Y8-C11 PolarHBondContact O-N 2.84Å; Y8-C11 VanDerWaalsContact O-N 3.11Å; Y8-R12 PolarHBondContact O-N 3.14Å; Y8-E171 VanDerWaalsContact CB-O 3.3Å; Y8-E171 WeakPolarHBondContact CB-O 3.42Å; Y8-E171 HydrophobicContact CD1-CB 4.45Å; Y8-E171 HydrophobicContact CD2-CB 4.19Å; Y8-E171 HydrophobicContact CG-CB 4.15Å
9P64.5Low69.1Low59 Ų5994.5 Ų94.538%0.38346%0.457SS..THydrogen-bonded Turntrans-63.5-27.1174.516-28.6000115.4A7 R12A7-P9 VanDerWaalsContact C-N 3.25Å; A7-P9 VanDerWaalsContact O-N 3.11Å; P9-R12 WeakPolarHBondContact O-CD 3.49Å; P9-R12 WeakPolarHBondContact O-CG 3.42Å
10R65.1Low70.5Confident208 Ų20893.5 Ų93.579%0.78545%0.454SS*.THydrogen-bonded Turntrans-79.5-24.5173.4-85.7-179.7-111.4145.7-3.2112.6A7 Y8 R12A7-R10 PolarHBondContact O-N 3.31Å; Y8-R10 VanDerWaalsContact C-N 3.3Å; Y8-R10 PolarHBondContact O-N 3.35Å; R10-R12 VanDerWaalsContact C-N 3.28Å; R10-R12 PolarHBondContact O-N 3.05Å
11C68.1Low71.8Confident48 Ų4893.6 Ų93.632%0.32445%0.452SS..G310 helixtrans-80.9-3.5178.7-65.90000113.9A7 Y8 W13 I14A7-C11 PolarHBondContact O-N 3.29Å; Y8-C11 PolarHBondContact O-N 2.84Å; Y8-C11 VanDerWaalsContact O-N 3.11Å; C11-W13 PolarHBondContact O-N 3.12Å; C11-W13 VanDerWaalsContact O-N 3.08Å; C11-I14 HydrophobicContact CB-CD1 3.7Å; C11-I14 HydrophobicContact CB-CG1 4.35Å; C11-I14 WeakPolarHBondContact O-CB 3.39Å; C11-I14 WeakPolarHBondContact O-CG1 3.49Å; C11-I14 PolarHBondContact O-N 3.31Å
12R78.8Confident74.5Confident60 Ų6082.7 Ų82.723%0.22640%0.398CS..G310 helixtrans-57.5-24.3179.3-65.8179.2-171.6168.75113.7Y8 P9 R10 P16 L100 L172Y8-R12 PolarHBondContact O-N 3.14Å; P9-R12 WeakPolarHBondContact O-CD 3.49Å; P9-R12 WeakPolarHBondContact O-CG 3.42Å; R10-R12 VanDerWaalsContact C-N 3.28Å; R10-R12 PolarHBondContact O-N 3.05Å; R12-P16 VanDerWaalsContact O-CD 3.23Å; R12-P16 WeakPolarHBondContact O-CD 3.33Å; R12-L100 VanDerWaalsContact NE-CD1 3.31Å; R12-L100 VanDerWaalsContact NH1-CD1 3.3Å; R12-L100 VanDerWaalsContact NH2-CD1 3.28Å; R12-L172 PolarHBondContact NE-O 2.84Å; R12-L172 PolarHBondContact NH2-O 3.09Å
13W83.4Confident77.7Confident152 Ų15273.5 Ų73.558%0.57636%0.359SS*.G310 helixtrans-83.5-15.5179.1-64.391.3000114.3C11 V15 P16 L17 C97C11-W13 PolarHBondContact O-N 3.12Å; C11-W13 VanDerWaalsContact O-N 3.08Å; W13-V15 PolarHBondContact O-N 3.34Å; W13-P16 WeakPolarHBondContact O-CD 3.47Å; W13-L17 WeakPolarHBondContact O-CB 3.38Å; W13-L17 PolarHBondContact O-N 3.34Å; W13-C97 HydrophobicContact CE3-CB 4.46Å; W13-C97 HydrophobicContact CH2-CB 3.5Å; W13-C97 HydrophobicContact CZ2-CB 3.64Å; W13-C97 HydrophobicContact CZ3-CB 3.94Å; W13-C97 WeakPolarHBondContact CZ3-SG 3.07Å
14I88.7Confident80.3Confident91 Ų9167.1 Ų67.147%0.46734%0.339SS..Hα-helixtrans-63.6-46.7-173.7-64176.7000110.4C11 L17 L18C11-I14 HydrophobicContact CB-CD1 3.7Å; C11-I14 HydrophobicContact CB-CG1 4.35Å; C11-I14 WeakPolarHBondContact O-CB 3.39Å; C11-I14 WeakPolarHBondContact O-CG1 3.49Å; C11-I14 PolarHBondContact O-N 3.31Å; I14-L17 PolarHBondContact O-N 2.9Å; I14-L18 HydrophobicContact CG2-CD1 4.13Å; I14-L18 HydrophobicContact CG2-CG 4.49Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 2.94Å
15V91.3Very high82.6Confident13 Ų1364.7 Ų64.78%0.07932%0.316CS..Hα-helixtrans-69.9-45.9-176.3-163.60000112.2W13 L17 L18 L19 C158 L161 F162 L165W13-V15 PolarHBondContact O-N 3.34Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.18Å; V15-L18 WeakPolarHBondContact O-CB 3.3Å; V15-L18 PolarHBondContact O-N 3.27Å; V15-L19 PolarHBondContact O-N 3.03Å; V15-C158 HydrophobicContact CG1-CB 4.35Å; V15-L161 HydrophobicContact CG1-CB 4.46Å; V15-L161 HydrophobicContact CG2-CD1 4.41Å; V15-F162 HydrophobicContact CB-CE2 4.26Å; V15-F162 HydrophobicContact CB-CZ 4.09Å; V15-F162 HydrophobicContact CG1-CD2 3.82Å; V15-F162 HydrophobicContact CG1-CE1 4.38Å; V15-F162 HydrophobicContact CG1-CE2 3.23Å; V15-F162 HydrophobicContact CG1-CZ 3.54Å; V15-L165 HydrophobicContact CG2-CD1 4.32Å
16P92.4Very high84.8Confident3 Ų363.1 Ų63.12%0.01930%0.299CS..Hα-helixtrans-58.9-37.5171.4-26.435.5000113.5R12 W13 L19 L20 F89 L96R12-P16 VanDerWaalsContact O-CD 3.23Å; R12-P16 WeakPolarHBondContact O-CD 3.33Å; W13-P16 WeakPolarHBondContact O-CD 3.47Å; P16-L19 WeakPolarHBondContact O-CB 3.44Å; P16-L19 PolarHBondContact O-N 3.23Å; P16-L20 PolarHBondContact O-N 3.21Å; P16-F89 HydrophobicContact CB-CE2 4.34Å; P16-F89 WeakPolarHBondContact O-CD2 3.5Å; P16-F89 VanDerWaalsContact O-CE2 3.29Å; P16-F89 WeakPolarHBondContact O-CE2 3.33Å; P16-L96 HydrophobicContact CG-CB 4.49Å; P16-L96 HydrophobicContact CG-CD1 3.89Å
17L94Very high86.8Confident92 Ų9261.9 Ų61.948%0.48229%0.293SS..Hα-helixtrans-69-35.2178.1-174.6144.5000112.1W13 I14 V15 L20 F21W13-L17 WeakPolarHBondContact O-CB 3.38Å; W13-L17 PolarHBondContact O-N 3.34Å; I14-L17 PolarHBondContact O-N 2.9Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.18Å; L17-L20 WeakPolarHBondContact O-CB 3.35Å; L17-L20 PolarHBondContact O-N 2.83Å; L17-F21 HydrophobicContact CD2-CD2 3.87Å; L17-F21 HydrophobicContact CD2-CE2 3.32Å; L17-F21 HydrophobicContact CD2-CZ 4.21Å; L17-F21 HydrophobicContact CG-CE2 4.31Å; L17-F21 VanDerWaalsContact O-CD2 3.32Å; L17-F21 WeakPolarHBondContact O-CD2 3.46Å; L17-F21 PolarHBondContact O-N 3.31Å; L17-F21 VanDerWaalsContact O-N 3.17Å
18L95.6Very high88.7Confident56 Ų5663.2 Ų63.229%0.29330%0.296SS..Hα-helixtrans-61.8-46.1169.4-73.5172.5000110.9I14 V15 L20 F21 A22 L154I14-L18 HydrophobicContact CG2-CD1 4.13Å; I14-L18 HydrophobicContact CG2-CG 4.49Å; I14-L18 VanDerWaalsContact O-CG 3.31Å; I14-L18 WeakPolarHBondContact O-CG 3.45Å; I14-L18 PolarHBondContact O-N 2.94Å; V15-L18 WeakPolarHBondContact O-CB 3.3Å; V15-L18 PolarHBondContact O-N 3.27Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.38Å; L18-F21 WeakPolarHBondContact O-CA 3.32Å; L18-F21 WeakPolarHBondContact O-CB 3.42Å; L18-F21 PolarHBondContact O-N 3.12Å; L18-A22 PolarHBondContact O-N 3.19Å; L18-L154 HydrophobicContact CB-CD2 4.07Å; L18-L154 HydrophobicContact CD2-CD1 4.38Å; L18-L154 WeakPolarHBondContact O-CD2 3.17Å
19L96.5Very high90.3Very high0 Ų058.8 Ų58.80%028%0.278CS..Hα-helixtrans-58.5-37.6174.6-71.6-177.3000112.7V15 P16 F21 A22 I23 L85 F89 L112 C158 F162V15-L19 PolarHBondContact O-N 3.03Å; P16-L19 WeakPolarHBondContact O-CB 3.44Å; P16-L19 PolarHBondContact O-N 3.23Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 2.99Å; L19-A22 PolarHBondContact O-N 3.13Å; L19-I23 WeakPolarHBondContact O-CG1 3.1Å; L19-I23 PolarHBondContact O-N 3.23Å; L19-L85 HydrophobicContact CD2-CD1 3.99Å; L19-F89 HydrophobicContact CB-CB 4.47Å; L19-F89 HydrophobicContact CB-CD2 4.03Å; L19-L112 HydrophobicContact CD1-CD1 4.45Å; L19-L112 HydrophobicContact CD1-CD2 4.38Å; L19-L112 HydrophobicContact CD2-CD1 3.92Å; L19-L112 HydrophobicContact CD2-CD2 3.61Å; L19-L112 HydrophobicContact CD2-CG 4.44Å; L19-C158 HydrophobicContact CD2-CB 3.62Å; L19-C158 HydrophobicContact CG-CB 4.3Å; L19-F162 HydrophobicContact CD1-CE2 3.62Å; L19-F162 HydrophobicContact CD1-CZ 4.03Å; L19-F162 HydrophobicContact CG-CE2 4.17Å
20L97.4Very high91.9Very high74 Ų7456.8 Ų56.839%0.38726%0.264SS..Hα-helixtrans-60.4-40.4174-179.263.9000111.7P16 L17 L18 I23 I24 F89P16-L20 PolarHBondContact O-N 3.21Å; L17-L20 WeakPolarHBondContact O-CB 3.35Å; L17-L20 PolarHBondContact O-N 2.83Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.38Å; L20-I23 PolarHBondContact O-N 2.93Å; L20-I24 HydrophobicContact CG-CD1 4.23Å; L20-I24 WeakPolarHBondContact O-CG1 3.28Å; L20-I24 PolarHBondContact O-N 3.29Å; L20-F89 HydrophobicContact CB-CE2 4.03Å; L20-F89 HydrophobicContact CB-CZ 4.44Å; L20-F89 HydrophobicContact CD1-CZ 4.35Å
21F97.9Very high93.4Very high97 Ų9750 Ų5043%0.42525%0.253SS..Hα-helixtrans-65-40.3173.8-73.2-58000112.7L17 L18 L19 I23 I24 F25 L154L17-F21 HydrophobicContact CD2-CD2 3.87Å; L17-F21 HydrophobicContact CD2-CE2 3.32Å; L17-F21 HydrophobicContact CD2-CZ 4.21Å; L17-F21 HydrophobicContact CG-CE2 4.31Å; L17-F21 VanDerWaalsContact O-CD2 3.32Å; L17-F21 WeakPolarHBondContact O-CD2 3.46Å; L17-F21 PolarHBondContact O-N 3.31Å; L17-F21 VanDerWaalsContact O-N 3.17Å; L18-F21 WeakPolarHBondContact O-CA 3.32Å; L18-F21 WeakPolarHBondContact O-CB 3.42Å; L18-F21 PolarHBondContact O-N 3.12Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 2.99Å; F21-I23 VanDerWaalsContact C-N 3.32Å; F21-I23 PolarHBondContact O-N 3.34Å; F21-I24 HydrophobicContact CD1-CD1 4.49Å; F21-I24 PolarHBondContact O-N 2.83Å; F21-F25 WeakPolarHBondContact O-CB 3.12Å; F21-F25 WeakPolarHBondContact O-CD1 3.3Å; F21-F25 WeakPolarHBondContact O-CG 3.22Å; F21-F25 PolarHBondContact O-N 3.32Å; F21-L154 HydrophobicContact CB-CD1 4.11Å
22A98Very high94.7Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-59.5-43.3172.800000111.8L18 L19 I24 F25 D26 L85 A151 L154L18-A22 PolarHBondContact O-N 3.19Å; L19-A22 PolarHBondContact O-N 3.13Å; A22-I24 VanDerWaalsContact C-N 3.34Å; A22-I24 PolarHBondContact O-N 2.98Å; A22-F25 PolarHBondContact O-N 3.37Å; A22-D26 PolarHBondContact O-N 3.03Å; A22-L85 HydrophobicContact CB-CD2 3.95Å; A22-A151 HydrophobicContact CB-CB 4.48Å; A22-L154 HydrophobicContact CB-CB 4.4Å; A22-L154 HydrophobicContact CB-CD2 3.54Å; A22-L154 HydrophobicContact CB-CG 4.39Å
23I98.4Very high95.2Very high13 Ų1351.3 Ų51.37%0.06726%0.262CS..Hα-helixtrans-59-46.1176.1-70.2168000110.9L19 L20 F21 F25 D26 I27 L82 L85 I86 F89L19-I23 WeakPolarHBondContact O-CG1 3.1Å; L19-I23 PolarHBondContact O-N 3.23Å; L20-I23 PolarHBondContact O-N 2.93Å; F21-I23 VanDerWaalsContact C-N 3.32Å; F21-I23 PolarHBondContact O-N 3.34Å; I23-F25 VanDerWaalsContact C-N 3.33Å; I23-F25 PolarHBondContact O-N 2.97Å; I23-D26 PolarHBondContact O-N 2.85Å; I23-I27 HydrophobicContact CG2-CD1 3.74Å; I23-I27 HydrophobicContact CG2-CG1 4.44Å; I23-I27 WeakPolarHBondContact O-CB 3.39Å; I23-I27 VanDerWaalsContact O-CG1 3.25Å; I23-I27 WeakPolarHBondContact O-CG1 3.37Å; I23-I27 PolarHBondContact O-N 3.37Å; I23-L82 HydrophobicContact CG2-CD1 4.12Å; I23-L85 HydrophobicContact CB-CD2 4.45Å; I23-L85 HydrophobicContact CD1-CG 4.43Å; I23-L85 HydrophobicContact CG1-CD2 3.64Å; I23-L85 HydrophobicContact CG1-CG 3.68Å; I23-I86 HydrophobicContact CD1-CG1 4.13Å; I23-I86 HydrophobicContact CG1-CG1 4.37Å; I23-I86 HydrophobicContact CG2-CG1 4.34Å; I23-F89 HydrophobicContact CD1-CB 3.59Å; I23-F89 HydrophobicContact CD1-CD1 4.07Å; I23-F89 HydrophobicContact CD1-CD2 4.44Å; I23-F89 HydrophobicContact CD1-CG 3.78Å
24I98.4Very high95.5Very high71 Ų7145.7 Ų45.736%0.36425%0.246SC..Hα-helixtrans-61.8-44.2178.5-67.8165.7000110.4L20 F21 A22 I27 I28L20-I24 HydrophobicContact CG-CD1 4.23Å; L20-I24 WeakPolarHBondContact O-CG1 3.28Å; L20-I24 PolarHBondContact O-N 3.29Å; F21-I24 HydrophobicContact CD1-CD1 4.49Å; F21-I24 PolarHBondContact O-N 2.83Å; A22-I24 VanDerWaalsContact C-N 3.34Å; A22-I24 PolarHBondContact O-N 2.98Å; I24-I27 PolarHBondContact O-N 3.32Å; I24-I28 HydrophobicContact CG2-CD1 3.87Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.25Å; I24-I28 WeakPolarHBondContact O-CG1 3.36Å; I24-I28 PolarHBondContact O-N 3.49Å
25F98.3Very high95.7Very high61 Ų6141.3 Ų41.327%0.26822%0.224SC..Hα-helixtrans-64.3-41.6179-72.12.5000112.1F21 A22 I23 I28 A29 F147 A151F21-F25 WeakPolarHBondContact O-CB 3.12Å; F21-F25 WeakPolarHBondContact O-CD1 3.3Å; F21-F25 WeakPolarHBondContact O-CG 3.22Å; F21-F25 PolarHBondContact O-N 3.32Å; A22-F25 PolarHBondContact O-N 3.37Å; I23-F25 VanDerWaalsContact C-N 3.33Å; I23-F25 PolarHBondContact O-N 2.97Å; F25-I28 PolarHBondContact O-N 3.23Å; F25-A29 WeakPolarHBondContact O-CB 3.47Å; F25-A29 PolarHBondContact O-N 2.84Å; F25-F147 HydrophobicContact CB-CB 4.44Å; F25-F147 HydrophobicContact CB-CD1 3.96Å; F25-F147 AromaticContact CD1-CD1 3.52Å; F25-F147 HydrophobicContact CD1-CD1 3.52Å; F25-F147 AromaticContact CD1-CE1 3.61Å; F25-F147 HydrophobicContact CD1-CE1 3.61Å; F25-F147 HydrophobicContact CD2-CD1 4.05Å; F25-F147 AromaticContact CE1-CD1 3.95Å; F25-F147 HydrophobicContact CE1-CD1 3.95Å; F25-F147 AromaticContact CE1-CE1 3.59Å; F25-F147 HydrophobicContact CE1-CE1 3.59Å; F25-F147 HydrophobicContact CE2-CD1 4.43Å; F25-F147 AromaticContact CG-CD1 3.58Å; F25-F147 HydrophobicContact CG-CD1 3.58Å; F25-F147 HydrophobicContact CG-CE1 4.12Å; F25-F147 HydrophobicContact CZ-CD1 4.38Å; F25-F147 HydrophobicContact CZ-CE1 4.08Å; F25-A151 HydrophobicContact CB-CB 3.81Å
26D97.3Very high95.8Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-63.8-42.1174.4-85.5-27.5000112.3A22 I23 I28 A29 I30 L82 L85 Q119 A151A22-D26 PolarHBondContact O-N 3.03Å; I23-D26 PolarHBondContact O-N 2.85Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.13Å; D26-A29 PolarHBondContact O-N 3.49Å; D26-I30 WeakPolarHBondContact O-CB 3.43Å; D26-I30 VanDerWaalsContact O-CG1 3.27Å; D26-I30 WeakPolarHBondContact O-CG1 3.44Å; D26-I30 PolarHBondContact O-N 2.98Å; D26-L82 HydrophobicContact CB-CD1 3.99Å; D26-L85 VanDerWaalsContact OD2-CD2 3.23Å; D26-L85 WeakPolarHBondContact OD2-CD2 3.07Å; D26-Q119 PolarHBondContact OD1-NE2 3.44Å; D26-Q119 PolarHBondContact OD2-NE2 2.92Å; D26-A151 HydrophobicContact CB-CB 4.38Å; D26-A151 WeakPolarHBondContact OD1-CB 3.36Å
27I98.1Very high95.9Very high81 Ų8140.6 Ų40.642%0.41522%0.219SC..Hα-helixtrans-62-42.6175.7-70.2167.7000110.1I23 I24 I30 A31 L82I23-I27 HydrophobicContact CG2-CD1 3.74Å; I23-I27 HydrophobicContact CG2-CG1 4.44Å; I23-I27 WeakPolarHBondContact O-CB 3.39Å; I23-I27 VanDerWaalsContact O-CG1 3.25Å; I23-I27 WeakPolarHBondContact O-CG1 3.37Å; I23-I27 PolarHBondContact O-N 3.37Å; I24-I27 PolarHBondContact O-N 3.32Å; I27-I30 PolarHBondContact O-N 2.9Å; I27-A31 WeakPolarHBondContact O-CB 2.97Å; I27-A31 PolarHBondContact O-N 2.67Å; I27-L82 HydrophobicContact CG1-CD1 4.17Å; I27-L82 HydrophobicContact CG1-CD2 3.91Å
28I97.7Very high95.8Very high55 Ų5537.5 Ų37.528%0.28220%0.202SC..Hα-helixtrans-61-48.4175.5-68.9167.2000110I24 F25 D26 I30 A31 A32 W143 F147I24-I28 HydrophobicContact CG2-CD1 3.87Å; I24-I28 HydrophobicContact CG2-CG1 4.47Å; I24-I28 VanDerWaalsContact O-CG1 3.25Å; I24-I28 WeakPolarHBondContact O-CG1 3.36Å; I24-I28 PolarHBondContact O-N 3.49Å; F25-I28 PolarHBondContact O-N 3.23Å; D26-I28 VanDerWaalsContact C-N 3.31Å; D26-I28 PolarHBondContact O-N 3.13Å; I28-I30 PolarHBondContact O-N 3.43Å; I28-A31 PolarHBondContact O-N 3.3Å; I28-A32 WeakPolarHBondContact O-CB 3.32Å; I28-A32 PolarHBondContact O-N 3.08Å; I28-W143 HydrophobicContact CG2-CE3 4.29Å; I28-W143 HydrophobicContact CG2-CZ3 3.67Å; I28-F147 HydrophobicContact CB-CG 4.43Å; I28-F147 HydrophobicContact CD1-CE1 4.32Å; I28-F147 HydrophobicContact CD1-CZ 4.43Å; I28-F147 HydrophobicContact CG2-CB 4.37Å; I28-F147 HydrophobicContact CG2-CD2 3.6Å; I28-F147 HydrophobicContact CG2-CE2 4Å; I28-F147 HydrophobicContact CG2-CG 3.97Å
29A97.2Very high95.4Very high0 Ų035.9 Ų35.90%019%0.194CC..Hα-helixtrans-59.9-44.4178.900000111.9F25 D26 W36 M78 A144 F147F25-A29 WeakPolarHBondContact O-CB 3.47Å; F25-A29 PolarHBondContact O-N 2.84Å; D26-A29 PolarHBondContact O-N 3.49Å; A29-W36 HydrophobicContact CB-CZ2 4.35Å; A29-W36 PolarHBondContact O-NE1 3.45Å; A29-M78 HydrophobicContact CB-CE 4.39Å; A29-A144 WeakPolarHBondContact CB-O 3.29Å; A29-F147 HydrophobicContact CB-CB 4.33Å
30I97.2Very high94.7Very high18 Ų1841 Ų419%0.09222%0.218CC..Hα-helixtrans-72.1-43.9-179.3-68.5165.9000111.4D26 I27 I28 M49 W50 M78 I79 L82D26-I30 WeakPolarHBondContact O-CB 3.43Å; D26-I30 VanDerWaalsContact O-CG1 3.27Å; D26-I30 WeakPolarHBondContact O-CG1 3.44Å; D26-I30 PolarHBondContact O-N 2.98Å; I27-I30 PolarHBondContact O-N 2.9Å; I28-I30 PolarHBondContact O-N 3.43Å; I30-M49 HydrophobicContact CG1-CE 4.46Å; I30-M49 HydrophobicContact CG2-CE 4.02Å; I30-W50 HydrophobicContact CG2-CZ2 3.93Å; I30-W50 PolarHBondContact O-NE1 3.27Å; I30-M78 HydrophobicContact CD1-CB 4.05Å; I30-M78 HydrophobicContact CG1-CB 3.94Å; I30-M78 HydrophobicContact CG1-CE 4.34Å; I30-I79 HydrophobicContact CG2-CG1 4.41Å; I30-L82 HydrophobicContact CD1-CB 4.02Å; I30-L82 HydrophobicContact CD1-CD2 3.83Å
31A96.8Very high93.7Very high65 Ų6541 Ų4154%0.53724%0.235SC..Hα-helixtrans-85.8-8.7-17300000113.8I27 I28 N33I27-A31 WeakPolarHBondContact O-CB 2.97Å; I27-A31 PolarHBondContact O-N 2.67Å; I28-A31 PolarHBondContact O-N 3.3Å; A31-N33 PolarHBondContact O-N 3.39Å
32A94.6Very high92.7Very high8 Ų837.7 Ų37.77%0.06623%0.226CC..  trans-62131.918000000111.7I28 S34 S48 W143 A144I28-A32 WeakPolarHBondContact O-CB 3.32Å; I28-A32 PolarHBondContact O-N 3.08Å; A32-S34 VanDerWaalsContact CB-O 3.32Å; A32-S34 WeakPolarHBondContact CB-O 3.46Å; A32-S48 WeakPolarHBondContact O-CB 3.42Å; A32-W143 HydrophobicContact CB-CH2 3.49Å; A32-W143 VanDerWaalsContact CB-CH2 3.49Å; A32-W143 HydrophobicContact CB-CZ2 4.2Å; A32-W143 HydrophobicContact CB-CZ3 4Å; A32-A144 HydrophobicContact CB-CB 3.53Å
33N90.4Very high91.8Very high127 Ų12744.5 Ų44.568%0.67926%0.256SS*.SBendtrans-85.7-11.1174.9-70.4-42.3000113.1A31 S48A31-N33 PolarHBondContact O-N 3.39Å; N33-S48 WeakPolarHBondContact O-CB 3.32Å
34S90.4Very high91.1Very high34 Ų3446 Ų4624%0.23827%0.267CS..SBendtrans-149.4-175.1174.768.50000109.8A32 W143A32-S34 VanDerWaalsContact CB-O 3.32Å; A32-S34 WeakPolarHBondContact CB-O 3.46Å; S34-W143 WeakPolarHBondContact O-CZ2 3.41Å
35G91Very high90.7Very high0 Ų042.7 Ų42.70%025%0.25CC..  trans87.41.5171.800000116.8E38 A47 T142 W143 A144 Y145G35-E38 VanDerWaalsContact CA-OE1 3.31Å; G35-E38 WeakPolarHBondContact CA-OE1 3.12Å; G35-E38 PolarHBondContact N-OE1 3.23Å; G35-A47 PolarHBondContact N-O 3.06Å; G35-T142 WeakPolarHBondContact CA-OG1 3.47Å; G35-T142 CarbonylContact O-C 3.31Å; G35-T142 VanDerWaalsContact O-C 3.31Å; G35-T142 PolarHBondContact O-OG1 3.37Å; G35-W143 PolarHBondContact O-N 2.79Å; G35-A144 WeakPolarHBondContact O-CA 3.19Å; G35-A144 WeakPolarHBondContact O-CB 3.36Å; G35-A144 PolarHBondContact O-N 3.49Å; G35-Y145 PolarHBondContact O-N 3.05Å
36W94.4Very high90.4Very high0 Ų042.7 Ų42.70%025%0.249CC..SBendtrans-80.9-47.6168.8-82.967.8000110.8A29 A47 M49 M78 L123 Y126 Y141 A144 Y145A29-W36 HydrophobicContact CB-CZ2 4.35Å; A29-W36 PolarHBondContact O-NE1 3.45Å; W36-A47 WeakPolarHBondContact CB-O 3.19Å; W36-A47 PolarHBondContact N-O 3.39Å; W36-M49 HydrophobicContact CD2-CB 4.37Å; W36-M49 HydrophobicContact CH2-CG 4.45Å; W36-M49 HydrophobicContact CH2-SD 4.28Å; W36-M49 HydrophobicContact CZ2-CB 4.05Å; W36-M49 HydrophobicContact CZ2-CG 4.26Å; W36-M49 HydrophobicContact CZ2-SD 4.06Å; W36-M78 HydrophobicContact CH2-CE 4.27Å; W36-M78 HydrophobicContact CH2-CG 4.45Å; W36-M78 HydrophobicContact CZ2-CE 4.4Å; W36-L123 HydrophobicContact CH2-CD2 4.2Å; W36-L123 HydrophobicContact CZ3-CD2 4.3Å; W36-Y126 HydrophobicContact CB-CE1 4.03Å; W36-Y126 WeakPolarHBondContact CB-OH 3.27Å; W36-Y126 HydrophobicContact CD2-CE1 4.37Å; W36-Y126 HydrophobicContact CD2-CE2 4.47Å; W36-Y126 AromaticContact CE3-CD1 3.57Å; W36-Y126 HydrophobicContact CE3-CD1 3.57Å; W36-Y126 AromaticContact CE3-CD2 3.88Å; W36-Y126 HydrophobicContact CE3-CD2 3.88Å; W36-Y126 AromaticContact CE3-CE1 3.58Å; W36-Y126 HydrophobicContact CE3-CE1 3.58Å; W36-Y126 AromaticContact CE3-CE2 3.88Å; W36-Y126 HydrophobicContact CE3-CE2 3.88Å; W36-Y126 AromaticContact CE3-CG 3.71Å; W36-Y126 HydrophobicContact CE3-CG 3.71Å; W36-Y126 AromaticContact CE3-CZ 3.73Å; W36-Y126 AromaticContact CZ3-CD1 4Å; W36-Y126 HydrophobicContact CZ3-CD1 4Å; W36-Y126 AromaticContact CZ3-CD2 3.96Å; W36-Y126 HydrophobicContact CZ3-CD2 3.96Å; W36-Y126 HydrophobicContact CZ3-CE1 4.43Å; W36-Y126 HydrophobicContact CZ3-CE2 4.39Å; W36-Y126 AromaticContact CZ3-CG 3.73Å; W36-Y126 HydrophobicContact CZ3-CG 3.73Å; W36-Y141 VanDerWaalsContact O-CA 3.31Å; W36-Y141 WeakPolarHBondContact O-CA 3.36Å; W36-Y141 VanDerWaalsContact O-CD1 3.32Å; W36-Y141 WeakPolarHBondContact O-CD1 3.5Å; W36-A144 HydrophobicContact CG-CB 4.48Å; W36-Y145 AromaticContact CE3-CD2 3.74Å; W36-Y145 HydrophobicContact CE3-CD2 3.74Å; W36-Y145 AromaticContact CZ3-CD2 3.86Å; W36-Y145 HydrophobicContact CZ3-CD2 3.86Å; W36-Y145 HydrophobicContact CZ3-CE2 4.43Å
37V93.8Very high90.1Very high0 Ų042.7 Ų42.70%025%0.249CC..EExtended strand (participates in β ladder)trans-140.8132.6174.4-168.40000108.6Y46 A47 Y126 F130 Y139 D140 Y141V37-Y46 CarbonylContact O-C 3.48Å; V37-Y46 WeakPolarHBondContact O-CA 3.2Å; V37-A47 HydrophobicContact CB-CB 4.28Å; V37-A47 PolarHBondContact N-O 2.88Å; V37-A47 PolarHBondContact O-N 3.22Å; V37-Y126 HydrophobicContact CG2-CE1 3.56Å; V37-F130 HydrophobicContact CB-CD1 4.27Å; V37-F130 HydrophobicContact CB-CE1 3.82Å; V37-F130 HydrophobicContact CB-CZ 4.2Å; V37-F130 HydrophobicContact CG1-CD1 4.17Å; V37-F130 HydrophobicContact CG1-CE1 3.76Å; V37-F130 HydrophobicContact CG2-CD1 3.75Å; V37-F130 HydrophobicContact CG2-CD2 4.49Å; V37-F130 HydrophobicContact CG2-CE1 3.77Å; V37-F130 HydrophobicContact CG2-CG 4.14Å; V37-F130 HydrophobicContact CG2-CZ 4.18Å; V37-Y139 HydrophobicContact CG1-CD1 4.04Å; V37-Y139 HydrophobicContact CG1-CG 4.34Å; V37-D140 WeakPolarHBondContact CA-O 3.35Å; V37-Y141 HydrophobicContact CG2-CD1 3.73Å; V37-Y141 HydrophobicContact CG2-CE1 3.46Å; V37-Y141 VanDerWaalsContact CG2-CE1 3.46Å
38E91.6Very high90Very high27 Ų2738.8 Ų38.813%0.12623%0.229CC..EExtended strand (participates in β ladder)trans-137.4140.4178-64.8174.8162.200109.2G35 A42 Y139 D140 T142G35-E38 VanDerWaalsContact CA-OE1 3.31Å; G35-E38 WeakPolarHBondContact CA-OE1 3.12Å; G35-E38 PolarHBondContact N-OE1 3.23Å; E38-A42 HydrophobicContact CB-CB 4.4Å; E38-A42 HydrophobicContact CG-CB 4.32Å; E38-Y139 WeakPolarHBondContact O-CA 3.48Å; E38-D140 PolarHBondContact N-O 3.02Å; E38-D140 PolarHBondContact O-N 3.26Å; E38-T142 HydrophobicContact CB-CG2 4.05Å; E38-T142 VanDerWaalsContact CD-OG1 3.29Å; E38-T142 HydrophobicContact CG-CG2 4.42Å; E38-T142 WeakPolarHBondContact OE2-CG2 3.12Å; E38-T142 PolarHBondContact OE2-OG1 3.4Å
39D87.8Confident89.8Confident23 Ų2336.2 Ų36.212%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-75170.4162.8178.933000109.5G41 A42 S44 H45 Y139D39-G41 CarbonylContact O-C 3.53Å; D39-G41 PolarHBondContact O-N 3.12Å; D39-A42 PolarHBondContact O-N 3.26Å; D39-S44 PolarHBondContact OD2-OG 2.97Å; D39-H45 HydrophobicContact CB-CB 4.1Å; D39-H45 PolarHBondContact N-O 3.28Å; D39-Y139 HydrophobicContact CB-CD1 4.08Å; D39-Y139 HydrophobicContact CB-CE1 3.83Å
40E82.6Confident89.8Confident107 Ų10740 Ų4050%0.523%0.23SC..THydrogen-bonded Turntrans-3682-175.2-67.3-174.5-178.700115.8K43E40-K43 VanDerWaalsContact O-CD 3.27Å; E40-K43 WeakPolarHBondContact O-CD 3.43Å; E40-K43 VanDerWaalsContact O-CE 3.26Å; E40-K43 WeakPolarHBondContact O-CE 3.47Å; E40-K43 VanDerWaalsContact O-CG 3.28Å; E40-K43 WeakPolarHBondContact O-CG 3.37Å; E40-K43 IonicContact OE2-NZ 3.79Å
41G76.1Confident89.6Confident73 Ų7340.6 Ų40.675%0.75324%0.235SC*.THydrogen-bonded Turntrans71.434.5-175.700000115.5D39 K43D39-G41 CarbonylContact O-C 3.53Å; D39-G41 PolarHBondContact O-N 3.12Å; G41-K43 PolarHBondContact O-N 3.39Å
42A76.9Confident89.4Confident28 Ų2838.1 Ų38.123%0.23121%0.213CC..SBendtrans56.727.1-179.900000114.8E38 D39 W60E38-A42 HydrophobicContact CB-CB 4.4Å; E38-A42 HydrophobicContact CG-CB 4.32Å; D39-A42 PolarHBondContact O-N 3.26Å; A42-W60 WeakPolarHBondContact O-CH2 3.23Å
43K79.8Confident89.3Confident144 Ų14437.9 Ų37.963%0.62621%0.211SC*.SBendtrans-67-40.5-176.3-71.6172.9-167.31610113.9E40 G41E40-K43 VanDerWaalsContact O-CD 3.27Å; E40-K43 WeakPolarHBondContact O-CD 3.43Å; E40-K43 VanDerWaalsContact O-CE 3.26Å; E40-K43 WeakPolarHBondContact O-CE 3.47Å; E40-K43 VanDerWaalsContact O-CG 3.28Å; E40-K43 WeakPolarHBondContact O-CG 3.37Å; E40-K43 IonicContact OE2-NZ 3.79Å; G41-K43 PolarHBondContact O-N 3.39Å
44S83.2Confident89.2Confident44 Ų4435.9 Ų35.931%0.30819%0.193SC..SBendtrans-123.2-22-173.284.30000113.4D39 R54 G55D39-S44 PolarHBondContact OD2-OG 2.97Å; S44-R54 CarbonylContact O-C 3.58Å; S44-R54 WeakPolarHBondContact O-CA 3.5Å; S44-G55 WeakPolarHBondContact CA-O 3.49Å; S44-G55 PolarHBondContact O-N 3.46Å
45H89Confident89Confident1 Ų134.7 Ų34.71%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-154136.5-178.4-177.4-117.6000111.3D39 H52 C53 R54 F130 Y139D39-H45 HydrophobicContact CB-CB 4.1Å; D39-H45 PolarHBondContact N-O 3.28Å; H45-H52 AromaticContact NE2-CD2 3.95Å; H45-C53 WeakPolarHBondContact CA-O 3.46Å; H45-C53 PolarHBondContact CD2-O 3.46Å; H45-R54 WeakPolarHBondContact CD2-CG 3.34Å; H45-F130 AromaticContact CE1-CE1 3.83Å; H45-F130 AromaticContact CE1-CZ 3.6Å; H45-Y139 HydrophobicContact CB-CE1 3.84Å; H45-Y139 AromaticContact CE1-CE1 3.99Å; H45-Y139 AromaticContact CG-CE1 3.75Å; H45-Y139 AromaticContact ND1-CD1 3.64Å; H45-Y139 AromaticContact ND1-CE1 3.09Å; H45-Y139 WeakPolarHBondContact ND1-CE1 3.16Å
46Y91.7Very high88.5Confident61 Ų6144.5 Ų44.524%0.23922%0.224CC..EExtended strand (participates in β ladder)trans-142.4153.7163.765.8-92.6000109.6V37 C53 W60V37-Y46 CarbonylContact O-C 3.48Å; V37-Y46 WeakPolarHBondContact O-CA 3.2Å; Y46-C53 HydrophobicContact CD1-CB 4.28Å; Y46-C53 HydrophobicContact CD2-CB 4.36Å; Y46-C53 HydrophobicContact CE1-CB 3.76Å; Y46-C53 HydrophobicContact CE2-CB 3.85Å; Y46-C53 PolarHBondContact N-O 3.35Å; Y46-C53 VanDerWaalsContact N-O 3.12Å; Y46-C53 PolarHBondContact O-N 3.27Å; Y46-C53 PolarHBondContact OH-SG 3.4Å; Y46-W60 HydrophobicContact CD1-CE3 4.36Å; Y46-W60 AromaticContact CD1-CH2 3.8Å; Y46-W60 HydrophobicContact CD1-CH2 3.8Å; Y46-W60 AromaticContact CD1-CZ3 3.48Å; Y46-W60 HydrophobicContact CD1-CZ3 3.48Å; Y46-W60 VanDerWaalsContact CD1-CZ3 3.48Å; Y46-W60 AromaticContact CE1-CE3 3.77Å; Y46-W60 HydrophobicContact CE1-CE3 3.77Å; Y46-W60 AromaticContact CE1-CH2 3.76Å; Y46-W60 HydrophobicContact CE1-CH2 3.76Å; Y46-W60 AromaticContact CE1-CZ3 3.31Å; Y46-W60 HydrophobicContact CE1-CZ3 3.31Å
47A92.9Very high87.6Confident0 Ų051.1 Ų51.10%026%0.259CS..EExtended strand (participates in β ladder)trans-139.3151.4176.900000111.4G35 W36 V37 S51 H52 F130G35-A47 PolarHBondContact N-O 3.06Å; W36-A47 WeakPolarHBondContact CB-O 3.19Å; W36-A47 PolarHBondContact N-O 3.39Å; V37-A47 HydrophobicContact CB-CB 4.28Å; V37-A47 PolarHBondContact N-O 2.88Å; V37-A47 PolarHBondContact O-N 3.22Å; A47-S51 WeakPolarHBondContact CA-O 3.2Å; A47-H52 HydrophobicContact CB-CB 3.79Å; A47-F130 HydrophobicContact CB-CE1 4.45Å; A47-F130 HydrophobicContact CB-CE2 3.57Å; A47-F130 HydrophobicContact CB-CZ 3.38Å
48S94.5Very high86.9Confident0 Ų058.4 Ų58.40%030%0.298CS..  trans-112.6-172.516664.20000109.9A32 N33 W50 S51 Y126A32-S48 WeakPolarHBondContact O-CB 3.42Å; N33-S48 WeakPolarHBondContact O-CB 3.32Å; S48-W50 PolarHBondContact O-N 3.07Å; S48-W50 PolarHBondContact OG-N 3.49Å; S48-W50 VanDerWaalsContact OG-N 3.12Å; S48-S51 PolarHBondContact N-O 2.91Å; S48-S51 PolarHBondContact OG-N 3.01Å; S48-S51 VanDerWaalsContact OG-N 3.11Å; S48-S51 PolarHBondContact OG-O 3.45Å; S48-S51 PolarHBondContact OG-OG 2.97Å; S48-Y126 PolarHBondContact O-OH 3.12Å
49M94.4Very high86.5Confident0 Ų063.4 Ų63.40%033%0.326CS..SBendtrans-64.5-25.4167.8-163.1177.770.800112.6I30 W36 M66 V74 A75 M78I30-M49 HydrophobicContact CG1-CE 4.46Å; I30-M49 HydrophobicContact CG2-CE 4.02Å; W36-M49 HydrophobicContact CD2-CB 4.37Å; W36-M49 HydrophobicContact CH2-CG 4.45Å; W36-M49 HydrophobicContact CH2-SD 4.28Å; W36-M49 HydrophobicContact CZ2-CB 4.05Å; W36-M49 HydrophobicContact CZ2-CG 4.26Å; W36-M49 HydrophobicContact CZ2-SD 4.06Å; M49-M66 VanDerWaalsContact O-CE 3.28Å; M49-M66 WeakPolarHBondContact O-CE 3.47Å; M49-V74 HydrophobicContact CG-CG1 4.16Å; M49-V74 HydrophobicContact SD-CG1 4.23Å; M49-A75 HydrophobicContact CE-CB 3.65Å; M49-A75 HydrophobicContact CG-CB 4.39Å; M49-A75 HydrophobicContact SD-CB 4.13Å; M49-M78 HydrophobicContact SD-CB 4Å; M49-M78 HydrophobicContact SD-CG 3.87Å
50W96Very high86.6Confident80 Ų8067.6 Ų67.630%0.30334%0.34SS..SBendtrans-102.2-33.6-168.7-55.8108.2000114.5I30 S48 S64 L65 M66 A75 I79I30-W50 HydrophobicContact CG2-CZ2 3.93Å; I30-W50 PolarHBondContact O-NE1 3.27Å; S48-W50 PolarHBondContact O-N 3.07Å; S48-W50 PolarHBondContact OG-N 3.49Å; S48-W50 VanDerWaalsContact OG-N 3.12Å; W50-S64 PolarHBondContact O-OG 2.88Å; W50-L65 PolarHBondContact O-N 3.43Å; W50-M66 HydrophobicContact CE3-CE 4.08Å; W50-M66 HydrophobicContact CE3-CG 4.15Å; W50-M66 HydrophobicContact CE3-SD 3.72Å; W50-M66 HydrophobicContact CZ3-SD 3.84Å; W50-A75 HydrophobicContact CE3-CB 4.45Å; W50-A75 HydrophobicContact CH2-CB 3.96Å; W50-A75 HydrophobicContact CZ3-CB 3.76Å; W50-I79 HydrophobicContact CH2-CD1 3.84Å; W50-I79 HydrophobicContact CZ2-CD1 4.42Å
51S94.3Very high86.9Confident30 Ų3066.9 Ų66.921%0.2134%0.34CS..EExtended strand (participates in β ladder)trans-151.1153.1-172.456.80000111.1A47 S48 K63A47-S51 WeakPolarHBondContact CA-O 3.2Å; S48-S51 PolarHBondContact N-O 2.91Å; S48-S51 PolarHBondContact OG-N 3.01Å; S48-S51 VanDerWaalsContact OG-N 3.11Å; S48-S51 PolarHBondContact OG-O 3.45Å; S48-S51 PolarHBondContact OG-OG 2.97Å; S51-K63 VanDerWaalsContact CA-O 3.27Å; S51-K63 WeakPolarHBondContact CA-O 3.3Å; S51-K63 WeakPolarHBondContact CB-O 3.29Å
52H92.6Very high87.7Confident14 Ų1466.6 Ų66.67%0.06533%0.325CS..EExtended strand (participates in β ladder)trans-121.2141.4167.268.3-80.9000108.8H45 A47 R54 C62 K63 L65H45-H52 AromaticContact NE2-CD2 3.95Å; A47-H52 HydrophobicContact CB-CB 3.79Å; H52-R54 PolarHBondContact CD2-NH1 3.13Å; H52-R54 PolarHBondContact NE2-NH1 3.38Å; H52-R54 VanDerWaalsContact NE2-NH1 3.16Å; H52-C62 WeakPolarHBondContact O-CA 3.34Å; H52-K63 PolarHBondContact N-O 3.4Å; H52-K63 PolarHBondContact O-N 2.83Å; H52-L65 HydrophobicContact CB-CD1 3.55Å; H52-L65 WeakPolarHBondContact ND1-CD1 3.35Å
53C91.7Very high88.5Confident3 Ų370.2 Ų70.22%0.0234%0.336CS..EExtended strand (participates in β ladder)trans-123.6125.8-178.6-650000108.8H45 Y46 W60 D61 C62H45-C53 WeakPolarHBondContact CA-O 3.46Å; H45-C53 PolarHBondContact CD2-O 3.46Å; Y46-C53 HydrophobicContact CD1-CB 4.28Å; Y46-C53 HydrophobicContact CD2-CB 4.36Å; Y46-C53 HydrophobicContact CE1-CB 3.76Å; Y46-C53 HydrophobicContact CE2-CB 3.85Å; Y46-C53 PolarHBondContact N-O 3.35Å; Y46-C53 VanDerWaalsContact N-O 3.12Å; Y46-C53 PolarHBondContact O-N 3.27Å; Y46-C53 PolarHBondContact OH-SG 3.4Å; C53-W60 HydrophobicContact CB-CE3 4Å; C53-W60 HydrophobicContact CB-CZ3 4.33Å; C53-D61 WeakPolarHBondContact CA-O 3.48Å; C53-C62 HydrophobicContact CB-CB 4.18Å; C53-C62 WeakPolarHBondContact CB-SG 3.3Å; C53-C62 WeakPolarHBondContact SG-CB 3.37Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 3.07Å
54R89.4Confident89.2Confident84 Ų8465.7 Ų65.732%0.31732%0.322SS..EExtended strand (participates in β ladder)trans-111.2131.7173.1-74-176.2175.7110.2-2.4108.9S44 H45 H52 W60 D61 L133S44-R54 CarbonylContact O-C 3.58Å; S44-R54 WeakPolarHBondContact O-CA 3.5Å; H45-R54 WeakPolarHBondContact CD2-CG 3.34Å; H52-R54 PolarHBondContact CD2-NH1 3.13Å; H52-R54 PolarHBondContact NE2-NH1 3.38Å; H52-R54 VanDerWaalsContact NE2-NH1 3.16Å; R54-W60 WeakPolarHBondContact O-CA 3.43Å; R54-D61 PolarHBondContact N-O 2.93Å; R54-D61 PolarHBondContact O-N 3.23Å; R54-L133 PolarHBondContact NH2-O 3.43Å
55G85.1Confident89.7Confident9 Ų963.6 Ų63.69%0.09331%0.308CS..EExtended strand (participates in β ladder)trans-136.5143.4-178.700000112.9S44 N59S44-G55 WeakPolarHBondContact CA-O 3.49Å; S44-G55 PolarHBondContact O-N 3.46Å; G55-N59 WeakPolarHBondContact CA-O 3.47Å
56R80Confident90Very high206 Ų20665.6 Ų65.678%0.77732%0.317SS*.EExtended strand (participates in β ladder)trans-144.1130.1168-168.6172.7-176.6167.82.1109.1N59R56-N59 PolarHBondContact N-O 2.95Å; R56-N59 VanDerWaalsContact N-O 3.09Å; R56-N59 PolarHBondContact O-N 2.84Å
57N75.6Confident90.1Very high140 Ų14069.9 Ų69.975%0.74934%0.339SS*.THydrogen-bonded Turntrans51.556.6179-57.4-16.9000112.7N59N57-N59 PolarHBondContact O-N 2.81Å
58D78.6Confident90.2Very high153 Ų15373 Ų7382%0.81835%0.353SS*.THydrogen-bonded Turntrans64.9-2.6179.1-59.9-35.3000117.5
59N84.9Confident90.3Very high131 Ų13177.5 Ų77.570%0.70139%0.385SS*.EExtended strand (participates in β ladder)trans-92.2113.5170.4-68.8-40.6000110.2G55 R56 N57G55-N59 WeakPolarHBondContact CA-O 3.47Å; R56-N59 PolarHBondContact N-O 2.95Å; R56-N59 VanDerWaalsContact N-O 3.09Å; R56-N59 PolarHBondContact O-N 2.84Å; N57-N59 PolarHBondContact O-N 2.81Å
60W88.2Confident90.5Very high112 Ų11279.2 Ų79.242%0.42439%0.391SS..EExtended strand (participates in β ladder)trans-108.9127.1178.7-70.586.4000111.2A42 Y46 C53 R54A42-W60 WeakPolarHBondContact O-CH2 3.23Å; Y46-W60 HydrophobicContact CD1-CE3 4.36Å; Y46-W60 AromaticContact CD1-CH2 3.8Å; Y46-W60 HydrophobicContact CD1-CH2 3.8Å; Y46-W60 AromaticContact CD1-CZ3 3.48Å; Y46-W60 HydrophobicContact CD1-CZ3 3.48Å; Y46-W60 VanDerWaalsContact CD1-CZ3 3.48Å; Y46-W60 AromaticContact CE1-CE3 3.77Å; Y46-W60 HydrophobicContact CE1-CE3 3.77Å; Y46-W60 AromaticContact CE1-CH2 3.76Å; Y46-W60 HydrophobicContact CE1-CH2 3.76Å; Y46-W60 AromaticContact CE1-CZ3 3.31Å; Y46-W60 HydrophobicContact CE1-CZ3 3.31Å; C53-W60 HydrophobicContact CB-CE3 4Å; C53-W60 HydrophobicContact CB-CZ3 4.33Å; R54-W60 WeakPolarHBondContact O-CA 3.43Å
61D90.6Very high90.5Very high92 Ų9275.5 Ų75.549%0.49238%0.377SS..EExtended strand (participates in β ladder)trans-110.6116.6171.3-174.919.1000109.1C53 R54 K63C53-D61 WeakPolarHBondContact CA-O 3.48Å; R54-D61 PolarHBondContact N-O 2.93Å; R54-D61 PolarHBondContact O-N 3.23Å; D61-K63 WeakPolarHBondContact OD2-CE 3.47Å; D61-K63 IonicContact OD2-NZ 2.83Å
62C92.3Very high90.6Very high67 Ų6779 Ų7945%0.45339%0.39SS..EExtended strand (participates in β ladder)trans-110.5124.5-178.4-69.50000110H52 C53H52-C62 WeakPolarHBondContact O-CA 3.34Å; C53-C62 HydrophobicContact CB-CB 4.18Å; C53-C62 WeakPolarHBondContact CB-SG 3.3Å; C53-C62 WeakPolarHBondContact SG-CB 3.37Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 3.07Å
63K92.9Very high90.9Very high104 Ų10480.3 Ų80.345%0.45240%0.403SS..EExtended strand (participates in β ladder)trans-119.2145.5178.2-62.4-175.4-177.9178.70110.5S51 H52 D61 L65S51-K63 VanDerWaalsContact CA-O 3.27Å; S51-K63 WeakPolarHBondContact CA-O 3.3Å; S51-K63 WeakPolarHBondContact CB-O 3.29Å; H52-K63 PolarHBondContact N-O 3.4Å; H52-K63 PolarHBondContact O-N 2.83Å; D61-K63 WeakPolarHBondContact OD2-CE 3.47Å; D61-K63 IonicContact OD2-NZ 2.83Å; K63-L65 PolarHBondContact O-N 2.86Å
64S95Very high91.2Very high49 Ų4980.1 Ų80.134%0.34340%0.402SS..EExtended strand (participates in β ladder)trans-73.4130.8177.8-170.10000110.2W50 M66W50-S64 PolarHBondContact O-OG 2.88Å; S64-M66 PolarHBondContact O-N 3.45Å; S64-M66 WeakPolarHBondContact OG-CB 3.17Å; S64-M66 PolarHBondContact OG-N 3.26Å; S64-M66 VanDerWaalsContact OG-N 3.16Å
65L94.2Very high91.5Very high0 Ų076.3 Ų76.30%039%0.389CS..G310 helixtrans-69.3-19.7167.8-100.678.4000111.4W50 H52 K63 E67 F68 W70 A71 Y126 F130W50-L65 PolarHBondContact O-N 3.43Å; H52-L65 HydrophobicContact CB-CD1 3.55Å; H52-L65 WeakPolarHBondContact ND1-CD1 3.35Å; K63-L65 PolarHBondContact O-N 2.86Å; L65-E67 PolarHBondContact O-N 3.02Å; L65-F68 WeakPolarHBondContact O-CD2 3.44Å; L65-F68 PolarHBondContact O-N 3.46Å; L65-W70 HydrophobicContact CD2-CH2 3.73Å; L65-W70 HydrophobicContact CD2-CZ2 4.39Å; L65-W70 HydrophobicContact CD2-CZ3 4.47Å; L65-A71 HydrophobicContact CB-CB 3.91Å; L65-A71 HydrophobicContact CD2-CB 4.23Å; L65-A71 HydrophobicContact CG-CB 4.43Å; L65-A71 VanDerWaalsContact O-CB 3.25Å; L65-A71 WeakPolarHBondContact O-CB 3.38Å; L65-Y126 HydrophobicContact CD2-CE2 3.94Å; L65-F130 HydrophobicContact CD1-CE2 4.37Å; L65-F130 HydrophobicContact CD2-CD2 3.99Å; L65-F130 HydrophobicContact CD2-CE2 3.97Å
66M95.6Very high92.2Very high43 Ų4378 Ų7821%0.21240%0.402CS..G310 helixtrans-67.3-5-179.2-59.7-639600113.4M49 W50 S64 A71 Q72 A75M49-M66 VanDerWaalsContact O-CE 3.28Å; M49-M66 WeakPolarHBondContact O-CE 3.47Å; W50-M66 HydrophobicContact CE3-CE 4.08Å; W50-M66 HydrophobicContact CE3-CG 4.15Å; W50-M66 HydrophobicContact CE3-SD 3.72Å; W50-M66 HydrophobicContact CZ3-SD 3.84Å; S64-M66 PolarHBondContact O-N 3.45Å; S64-M66 WeakPolarHBondContact OG-CB 3.17Å; S64-M66 PolarHBondContact OG-N 3.26Å; S64-M66 VanDerWaalsContact OG-N 3.16Å; M66-A71 HydrophobicContact CE-CB 3.9Å; M66-Q72 HydrophobicContact CB-CG 4.49Å; M66-Q72 WeakPolarHBondContact O-CG 3.46Å; M66-Q72 PolarHBondContact O-NE2 2.97Å; M66-Q72 HydrophobicContact SD-CG 4.3Å; M66-A75 HydrophobicContact CE-CB 4.19Å; M66-A75 HydrophobicContact SD-CB 4.22Å
67E93.8Very high93Very high150 Ų15070.3 Ų70.370%0.70138%0.376SS*.G310 helixtrans-69.5-22.9166.7-64.8-179.8-176.400112.1L65L65-E67 PolarHBondContact O-N 3.02Å
68F95.1Very high94.1Very high67 Ų6763.7 Ų63.729%0.29434%0.341SS..SBendtrans-94.6128.7178.9-59-80000111.9L65 W70 A71 Q72 L133L65-F68 WeakPolarHBondContact O-CD2 3.44Å; L65-F68 PolarHBondContact O-N 3.46Å; F68-W70 VanDerWaalsContact C-N 3.28Å; F68-W70 HydrophobicContact CB-CD2 4.45Å; F68-W70 HydrophobicContact CB-CG 4.33Å; F68-W70 HydrophobicContact CB-CZ2 4.43Å; F68-W70 AromaticContact CD1-NE1 3.84Å; F68-W70 AromaticContact CG-NE1 3.65Å; F68-W70 PolarHBondContact O-N 3.42Å; F68-A71 HydrophobicContact CB-CB 4.19Å; F68-A71 PolarHBondContact O-N 2.89Å; F68-A71 VanDerWaalsContact O-N 3.09Å; F68-Q72 PolarHBondContact O-N 3.44Å; F68-L133 HydrophobicContact CE1-CD2 4.18Å; F68-L133 HydrophobicContact CE2-CD1 4.08Å; F68-L133 HydrophobicContact CE2-CD2 4.46Å; F68-L133 HydrophobicContact CZ-CD1 4.29Å; F68-L133 HydrophobicContact CZ-CD2 3.85Å
69S96.8Very high95Very high94 Ų9459.5 Ų59.566%0.65732%0.318SS*.Hα-helixtrans-60.2-34.917955.50000113.5A71 A73S69-A71 VanDerWaalsContact C-N 3.35Å; S69-A73 WeakPolarHBondContact O-CB 3.47Å; S69-A73 PolarHBondContact O-N 3.25Å
70W96.9Very high95.7Very high36 Ų3657.2 Ų57.214%0.13630%0.304CS..Hα-helixtrans-67.6-36.117767.1-99.9000111.8L65 F68 A73 V74 I125 Y126 K129 F130 L133L65-W70 HydrophobicContact CD2-CH2 3.73Å; L65-W70 HydrophobicContact CD2-CZ2 4.39Å; L65-W70 HydrophobicContact CD2-CZ3 4.47Å; F68-W70 VanDerWaalsContact C-N 3.28Å; F68-W70 HydrophobicContact CB-CD2 4.45Å; F68-W70 HydrophobicContact CB-CG 4.33Å; F68-W70 HydrophobicContact CB-CZ2 4.43Å; F68-W70 AromaticContact CD1-NE1 3.84Å; F68-W70 AromaticContact CG-NE1 3.65Å; F68-W70 PolarHBondContact O-N 3.42Å; W70-A73 WeakPolarHBondContact O-CB 3.47Å; W70-A73 PolarHBondContact O-N 3.48Å; W70-V74 HydrophobicContact CE3-CG2 4.33Å; W70-V74 WeakPolarHBondContact O-CG2 3.38Å; W70-V74 PolarHBondContact O-N 3.09Å; W70-I125 HydrophobicContact CB-CG2 4.4Å; W70-I125 HydrophobicContact CE3-CG2 4.49Å; W70-Y126 HydrophobicContact CH2-CD2 4.49Å; W70-Y126 AromaticContact CZ3-CD2 3.88Å; W70-Y126 HydrophobicContact CZ3-CD2 3.88Å; W70-Y126 HydrophobicContact CZ3-CE2 4.33Å; W70-Y126 HydrophobicContact CZ3-CG 4.47Å; W70-K129 HydrophobicContact CB-CB 4.38Å; W70-K129 HydrophobicContact CB-CG 4.01Å; W70-K129 HydrophobicContact CD2-CB 3.39Å; W70-K129 HydrophobicContact CD2-CG 4.03Å; W70-K129 HydrophobicContact CE3-CB 3.61Å; W70-K129 HydrophobicContact CE3-CG 4.35Å; W70-K129 HydrophobicContact CG-CB 3.73Å; W70-K129 HydrophobicContact CG-CG 3.86Å; W70-K129 HydrophobicContact CH2-CB 4.43Å; W70-K129 HydrophobicContact CZ2-CB 4.23Å; W70-K129 HydrophobicContact CZ3-CB 4.13Å; W70-F130 HydrophobicContact CH2-CB 4.18Å; W70-F130 HydrophobicContact CH2-CD2 4.02Å; W70-L133 HydrophobicContact CZ2-CD1 3.88Å
71A96.2Very high96.2Very high1 Ų151.9 Ų51.91%0.00828%0.284CS..Hα-helixtrans-74.8-38179.600000111.1L65 M66 F68 S69 A73 V74 A75L65-A71 HydrophobicContact CB-CB 3.91Å; L65-A71 HydrophobicContact CD2-CB 4.23Å; L65-A71 HydrophobicContact CG-CB 4.43Å; L65-A71 VanDerWaalsContact O-CB 3.25Å; L65-A71 WeakPolarHBondContact O-CB 3.38Å; M66-A71 HydrophobicContact CE-CB 3.9Å; F68-A71 HydrophobicContact CB-CB 4.19Å; F68-A71 PolarHBondContact O-N 2.89Å; F68-A71 VanDerWaalsContact O-N 3.09Å; S69-A71 VanDerWaalsContact C-N 3.35Å; A71-A73 VanDerWaalsContact C-N 3.27Å; A71-A73 PolarHBondContact O-N 3.5Å; A71-V74 PolarHBondContact O-N 3.04Å; A71-A75 WeakPolarHBondContact O-CB 3.46Å; A71-A75 PolarHBondContact O-N 2.95Å
72Q97.7Very high96.5Very high104 Ų10448.6 Ų48.649%0.48627%0.267SS..Hα-helixtrans-56.9-43168.2-67178.7-600111.3M66 F68 A75 A76M66-Q72 HydrophobicContact CB-CG 4.49Å; M66-Q72 WeakPolarHBondContact O-CG 3.46Å; M66-Q72 PolarHBondContact O-NE2 2.97Å; M66-Q72 HydrophobicContact SD-CG 4.3Å; F68-Q72 PolarHBondContact O-N 3.44Å; Q72-A75 PolarHBondContact O-N 3.25Å; Q72-A76 WeakPolarHBondContact O-CB 3.4Å; Q72-A76 PolarHBondContact O-N 3.33Å
73A97.7Very high96.8Very high41 Ų4149.8 Ų49.834%0.33927%0.267SS..Hα-helixtrans-64.2-44.6176.900000112.1S69 W70 A71 A75 A76 L77S69-A73 WeakPolarHBondContact O-CB 3.47Å; S69-A73 PolarHBondContact O-N 3.25Å; W70-A73 WeakPolarHBondContact O-CB 3.47Å; W70-A73 PolarHBondContact O-N 3.48Å; A71-A73 VanDerWaalsContact C-N 3.27Å; A71-A73 PolarHBondContact O-N 3.5Å; A73-A75 PolarHBondContact O-N 2.85Å; A73-A76 PolarHBondContact O-N 3.26Å; A73-L77 WeakPolarHBondContact O-CB 3.2Å; A73-L77 WeakPolarHBondContact O-CG 3.49Å; A73-L77 PolarHBondContact O-N 2.9Å
74V97.8Very high97.1Very high0 Ų046.3 Ų46.30%025%0.253CS..Hα-helixtrans-57.3-49174.4170.80000110.6M49 W70 A71 A76 L77 M78 A122 I125 Y126M49-V74 HydrophobicContact CG-CG1 4.16Å; M49-V74 HydrophobicContact SD-CG1 4.23Å; W70-V74 HydrophobicContact CE3-CG2 4.33Å; W70-V74 WeakPolarHBondContact O-CG2 3.38Å; W70-V74 PolarHBondContact O-N 3.09Å; A71-V74 PolarHBondContact O-N 3.04Å; V74-A76 PolarHBondContact O-N 3.31Å; V74-L77 PolarHBondContact O-N 2.95Å; V74-M78 HydrophobicContact CG1-CG 4.36Å; V74-M78 VanDerWaalsContact O-CG 3.32Å; V74-M78 WeakPolarHBondContact O-CG 3.41Å; V74-M78 PolarHBondContact O-N 3.48Å; V74-A122 HydrophobicContact CG1-CB 4.21Å; V74-I125 HydrophobicContact CG2-CB 3.93Å; V74-I125 HydrophobicContact CG2-CG2 3.61Å; V74-Y126 HydrophobicContact CG1-CD2 4.08Å
75A97.6Very high97.2Very high4 Ų444 Ų443%0.03324%0.237CC..Hα-helixtrans-60.7-44.3178.900000112.4M49 W50 M66 A71 Q72 A73 M78 I79M49-A75 HydrophobicContact CE-CB 3.65Å; M49-A75 HydrophobicContact CG-CB 4.39Å; M49-A75 HydrophobicContact SD-CB 4.13Å; W50-A75 HydrophobicContact CE3-CB 4.45Å; W50-A75 HydrophobicContact CH2-CB 3.96Å; W50-A75 HydrophobicContact CZ3-CB 3.76Å; M66-A75 HydrophobicContact CE-CB 4.19Å; M66-A75 HydrophobicContact SD-CB 4.22Å; A71-A75 WeakPolarHBondContact O-CB 3.46Å; A71-A75 PolarHBondContact O-N 2.95Å; Q72-A75 PolarHBondContact O-N 3.25Å; A73-A75 PolarHBondContact O-N 2.85Å; A75-M78 PolarHBondContact O-N 3.31Å; A75-I79 WeakPolarHBondContact O-CB 3.38Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.89Å
76A98Very high97.4Very high45 Ų4547 Ų4737%0.37225%0.253SS..Hα-helixtrans-62.1-46176.900000111.8Q72 A73 V74 I79 I80Q72-A76 WeakPolarHBondContact O-CB 3.4Å; Q72-A76 PolarHBondContact O-N 3.33Å; A73-A76 PolarHBondContact O-N 3.26Å; V74-A76 PolarHBondContact O-N 3.31Å; A76-I79 PolarHBondContact O-N 2.86Å; A76-I80 WeakPolarHBondContact O-CB 3.33Å; A76-I80 WeakPolarHBondContact O-CD1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.47Å; A76-I80 PolarHBondContact O-N 2.66Å
77L98.3Very high97.5Very high44 Ų4448.9 Ų48.923%0.2326%0.263CS..Hα-helixtrans-62.5-45.9178.4-69.5169.7000111.4A73 V74 I79 I80 G81 I118 I121 A122 I125A73-L77 WeakPolarHBondContact O-CB 3.2Å; A73-L77 WeakPolarHBondContact O-CG 3.49Å; A73-L77 PolarHBondContact O-N 2.9Å; V74-L77 PolarHBondContact O-N 2.95Å; L77-I79 PolarHBondContact O-N 3.46Å; L77-I80 PolarHBondContact O-N 3.11Å; L77-G81 PolarHBondContact O-N 3.31Å; L77-I118 HydrophobicContact CB-CG2 3.87Å; L77-I118 HydrophobicContact CD2-CG2 3.84Å; L77-I118 HydrophobicContact CG-CG2 4.47Å; L77-I118 WeakPolarHBondContact O-CG2 3.37Å; L77-I121 HydrophobicContact CD1-CG2 3.92Å; L77-A122 HydrophobicContact CB-CB 3.77Å; L77-A122 HydrophobicContact CD1-CB 4.2Å; L77-I125 HydrophobicContact CD1-CD1 4.4Å
78M97.9Very high97.7Very high0 Ų041.7 Ų41.70%023%0.229CC..Hα-helixtrans-60.6-44.4177.4-69.9-63.3-70.500111.9A29 I30 W36 M49 V74 A75 G81 L82 Q119 A122A29-M78 HydrophobicContact CB-CE 4.39Å; I30-M78 HydrophobicContact CD1-CB 4.05Å; I30-M78 HydrophobicContact CG1-CB 3.94Å; I30-M78 HydrophobicContact CG1-CE 4.34Å; W36-M78 HydrophobicContact CH2-CE 4.27Å; W36-M78 HydrophobicContact CH2-CG 4.45Å; W36-M78 HydrophobicContact CZ2-CE 4.4Å; M49-M78 HydrophobicContact SD-CB 4Å; M49-M78 HydrophobicContact SD-CG 3.87Å; V74-M78 HydrophobicContact CG1-CG 4.36Å; V74-M78 VanDerWaalsContact O-CG 3.32Å; V74-M78 WeakPolarHBondContact O-CG 3.41Å; V74-M78 PolarHBondContact O-N 3.48Å; A75-M78 PolarHBondContact O-N 3.31Å; M78-G81 PolarHBondContact O-N 3Å; M78-L82 PolarHBondContact O-N 2.95Å; M78-Q119 HydrophobicContact SD-CG 4.45Å; M78-A122 HydrophobicContact CG-CB 3.88Å; M78-A122 HydrophobicContact SD-CB 3.83Å
79I98.3Very high97.8Very high66 Ų6640.8 Ų40.834%0.33823%0.225SC..Hα-helixtrans-66.6-45.5178.4-70.8169.3000111.7I30 W50 A75 A76 L77 G81 L82 I83I30-I79 HydrophobicContact CG2-CG1 4.41Å; W50-I79 HydrophobicContact CH2-CD1 3.84Å; W50-I79 HydrophobicContact CZ2-CD1 4.42Å; A75-I79 WeakPolarHBondContact O-CB 3.38Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.89Å; A76-I79 PolarHBondContact O-N 2.86Å; L77-I79 PolarHBondContact O-N 3.46Å; I79-G81 VanDerWaalsContact C-N 3.3Å; I79-G81 PolarHBondContact O-N 3.32Å; I79-L82 PolarHBondContact O-N 3.3Å; I79-I83 HydrophobicContact CG2-CD1 3.9Å; I79-I83 HydrophobicContact CG2-CG1 4.48Å; I79-I83 WeakPolarHBondContact O-CG1 3.22Å; I79-I83 PolarHBondContact O-N 3.48Å
80I98.4Very high97.8Very high82 Ų8240.6 Ų40.642%0.42122%0.216SC..Hα-helixtrans-61.3-43.4177.3-69.6166.3000109.9A76 L77 L82 I83 I84 I118A76-I80 WeakPolarHBondContact O-CB 3.33Å; A76-I80 WeakPolarHBondContact O-CD1 3.32Å; A76-I80 WeakPolarHBondContact O-CG1 3.47Å; A76-I80 PolarHBondContact O-N 2.66Å; L77-I80 PolarHBondContact O-N 3.11Å; I80-L82 PolarHBondContact O-N 3.31Å; I80-I83 PolarHBondContact O-N 2.88Å; I80-I84 HydrophobicContact CG2-CD1 3.88Å; I80-I84 WeakPolarHBondContact O-CG1 3.23Å; I80-I84 PolarHBondContact O-N 3.03Å; I80-I118 HydrophobicContact CG2-CD1 4.2Å
81G98.2Very high97.7Very high0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-55.7-48.4174.200000112.3L77 M78 I79 I83 I84 L85 T115L77-G81 PolarHBondContact O-N 3.31Å; M78-G81 PolarHBondContact O-N 3Å; I79-G81 VanDerWaalsContact C-N 3.3Å; I79-G81 PolarHBondContact O-N 3.32Å; G81-I83 PolarHBondContact O-N 3.43Å; G81-I84 PolarHBondContact O-N 3.47Å; G81-L85 WeakPolarHBondContact O-CB 3.33Å; G81-L85 PolarHBondContact O-N 3.42Å; G81-T115 WeakPolarHBondContact O-CG2 3.49Å
82L98.4Very high97.6Very high24 Ų2441 Ų4113%0.12622%0.22CC..Hα-helixtrans-61.1-42.6176.8175.162.3000112.4I23 D26 I27 I30 M78 I79 I80 L85 I86I23-L82 HydrophobicContact CG2-CD1 4.12Å; D26-L82 HydrophobicContact CB-CD1 3.99Å; I27-L82 HydrophobicContact CG1-CD1 4.17Å; I27-L82 HydrophobicContact CG1-CD2 3.91Å; I30-L82 HydrophobicContact CD1-CB 4.02Å; I30-L82 HydrophobicContact CD1-CD2 3.83Å; M78-L82 PolarHBondContact O-N 2.95Å; I79-L82 PolarHBondContact O-N 3.3Å; I80-L82 PolarHBondContact O-N 3.31Å; L82-L85 WeakPolarHBondContact O-CB 3.38Å; L82-L85 PolarHBondContact O-N 3.26Å; L82-I86 HydrophobicContact CD1-CD1 4Å; L82-I86 HydrophobicContact CD1-CG1 4.16Å; L82-I86 HydrophobicContact CG-CD1 3.96Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.32Å; L82-I86 PolarHBondContact O-N 2.89Å
83I98.6Very high97.4Very high91 Ų9137.6 Ų37.647%0.46721%0.207SC..Hα-helixtrans-61.8-46.7178.1-68.7166.3000110.5I79 I80 G81 L85 I86 I87I79-I83 HydrophobicContact CG2-CD1 3.9Å; I79-I83 HydrophobicContact CG2-CG1 4.48Å; I79-I83 WeakPolarHBondContact O-CG1 3.22Å; I79-I83 PolarHBondContact O-N 3.48Å; I80-I83 PolarHBondContact O-N 2.88Å; G81-I83 PolarHBondContact O-N 3.43Å; I83-L85 VanDerWaalsContact C-N 3.29Å; I83-L85 PolarHBondContact O-N 3.42Å; I83-I86 PolarHBondContact O-N 3.33Å; I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CG1 3.47Å; I83-I87 PolarHBondContact O-N 2.8Å
84I98.3Very high97.1Very high31 Ų3139.5 Ų39.516%0.15921%0.211CC..Hα-helixtrans-62.7-40.2177.1-62167.4000110.3I80 G81 I86 I87 A88 L111 I114 T115 I118I80-I84 HydrophobicContact CG2-CD1 3.88Å; I80-I84 WeakPolarHBondContact O-CG1 3.23Å; I80-I84 PolarHBondContact O-N 3.03Å; G81-I84 PolarHBondContact O-N 3.47Å; I84-I86 PolarHBondContact O-N 3.12Å; I84-I87 PolarHBondContact O-N 3.41Å; I84-A88 WeakPolarHBondContact O-CB 3.31Å; I84-A88 PolarHBondContact O-N 2.9Å; I84-L111 HydrophobicContact CG2-CB 4.29Å; I84-L111 HydrophobicContact CG2-CD2 4.34Å; I84-I114 HydrophobicContact CD1-CG2 4.18Å; I84-T115 WeakPolarHBondContact CB-OG1 3.07Å; I84-T115 WeakPolarHBondContact CG2-OG1 3.23Å; I84-I118 HydrophobicContact CD1-CD1 3.83Å
85L98.2Very high96.7Very high0 Ų039.5 Ų39.50%021%0.211CC..Hα-helixtrans-62.3-42.4177.3-174.162.6000112.1L19 A22 I23 D26 G81 L82 I83 A88 F89 L112 T115 T155L19-L85 HydrophobicContact CD2-CD1 3.99Å; A22-L85 HydrophobicContact CB-CD2 3.95Å; I23-L85 HydrophobicContact CB-CD2 4.45Å; I23-L85 HydrophobicContact CD1-CG 4.43Å; I23-L85 HydrophobicContact CG1-CD2 3.64Å; I23-L85 HydrophobicContact CG1-CG 3.68Å; D26-L85 VanDerWaalsContact OD2-CD2 3.23Å; D26-L85 WeakPolarHBondContact OD2-CD2 3.07Å; G81-L85 WeakPolarHBondContact O-CB 3.33Å; G81-L85 PolarHBondContact O-N 3.42Å; L82-L85 WeakPolarHBondContact O-CB 3.38Å; L82-L85 PolarHBondContact O-N 3.26Å; I83-L85 VanDerWaalsContact C-N 3.29Å; I83-L85 PolarHBondContact O-N 3.42Å; L85-A88 PolarHBondContact O-N 3.04Å; L85-F89 WeakPolarHBondContact O-CB 3.4Å; L85-F89 PolarHBondContact O-N 3.3Å; L85-L112 HydrophobicContact CD1-CD2 3.63Å; L85-T115 HydrophobicContact CB-CG2 4.2Å; L85-T155 HydrophobicContact CD1-CG2 4.09Å
86I98.4Very high96.2Very high65 Ų6539.4 Ų39.433%0.33321%0.21SC..Hα-helixtrans-62.5-43.5175.2-70166000110.7I23 L82 I83 I84 F89 I90I23-I86 HydrophobicContact CD1-CG1 4.13Å; I23-I86 HydrophobicContact CG1-CG1 4.37Å; I23-I86 HydrophobicContact CG2-CG1 4.34Å; L82-I86 HydrophobicContact CD1-CD1 4Å; L82-I86 HydrophobicContact CD1-CG1 4.16Å; L82-I86 HydrophobicContact CG-CD1 3.96Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.32Å; L82-I86 PolarHBondContact O-N 2.89Å; I83-I86 PolarHBondContact O-N 3.33Å; I84-I86 PolarHBondContact O-N 3.12Å; I86-F89 WeakPolarHBondContact O-CB 3.25Å; I86-F89 PolarHBondContact O-N 2.92Å; I86-I90 HydrophobicContact CG2-CD1 4.01Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 3.06Å
87I98.1Very high95.4Very high81 Ų8139 Ų3942%0.41520%0.204SC..Hα-helixtrans-61.2-47.8175.8-67.3166.1000110.2I83 I84 F89 I90 I91I83-I87 HydrophobicContact CG2-CD1 4.05Å; I83-I87 WeakPolarHBondContact O-CG1 3.47Å; I83-I87 PolarHBondContact O-N 2.8Å; I84-I87 PolarHBondContact O-N 3.41Å; I87-F89 VanDerWaalsContact C-N 3.29Å; I87-F89 PolarHBondContact O-N 3.18Å; I87-I90 PolarHBondContact O-N 2.83Å; I87-I91 HydrophobicContact CG2-CD1 3.7Å; I87-I91 HydrophobicContact CG2-CG1 4.38Å; I87-I91 VanDerWaalsContact O-CG1 3.28Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.4Å
88A97.5Very high94.7Very high0 Ų041.7 Ų41.70%023%0.225CC..Hα-helixtrans-59.6-40177.700000111.8I84 L85 I91 S92 I108 L111 L112I84-A88 WeakPolarHBondContact O-CB 3.31Å; I84-A88 PolarHBondContact O-N 2.9Å; L85-A88 PolarHBondContact O-N 3.04Å; A88-I91 PolarHBondContact O-N 3.41Å; A88-S92 VanDerWaalsContact O-CB 3.3Å; A88-S92 WeakPolarHBondContact O-CB 3.43Å; A88-S92 PolarHBondContact O-N 3.45Å; A88-I108 HydrophobicContact CB-CG2 4.38Å; A88-L111 HydrophobicContact CB-CB 4.24Å; A88-L112 HydrophobicContact CB-CD2 3.68Å; A88-L112 HydrophobicContact CB-CG 4.3Å
89F97.2Very high93.8Very high48 Ų4846.1 Ų46.121%0.21125%0.253CS..Hα-helixtrans-62.1-48.2174.5169.8-105.9000112.2P16 L19 L20 I23 L85 I86 I87 I91 S92 C93P16-F89 HydrophobicContact CB-CE2 4.34Å; P16-F89 WeakPolarHBondContact O-CD2 3.5Å; P16-F89 VanDerWaalsContact O-CE2 3.29Å; P16-F89 WeakPolarHBondContact O-CE2 3.33Å; L19-F89 HydrophobicContact CB-CB 4.47Å; L19-F89 HydrophobicContact CB-CD2 4.03Å; L20-F89 HydrophobicContact CB-CE2 4.03Å; L20-F89 HydrophobicContact CB-CZ 4.44Å; L20-F89 HydrophobicContact CD1-CZ 4.35Å; I23-F89 HydrophobicContact CD1-CB 3.59Å; I23-F89 HydrophobicContact CD1-CD1 4.07Å; I23-F89 HydrophobicContact CD1-CD2 4.44Å; I23-F89 HydrophobicContact CD1-CG 3.78Å; L85-F89 WeakPolarHBondContact O-CB 3.4Å; L85-F89 PolarHBondContact O-N 3.3Å; I86-F89 WeakPolarHBondContact O-CB 3.25Å; I86-F89 PolarHBondContact O-N 2.92Å; I87-F89 VanDerWaalsContact C-N 3.29Å; I87-F89 PolarHBondContact O-N 3.18Å; F89-I91 PolarHBondContact O-N 2.73Å; F89-S92 WeakPolarHBondContact O-CB 3.32Å; F89-S92 PolarHBondContact O-N 3.01Å; F89-S92 VanDerWaalsContact O-N 3.13Å; F89-S92 PolarHBondContact O-OG 2.94Å; F89-C93 PolarHBondContact O-N 3.35Å
90I96.3Very high93Very high89 Ų8945 Ų4546%0.45625%0.247SC..Hα-helixtrans-59.5-48.2177.9-66.5165.4000110.5I86 I87 S92 C93 I94I86-I90 HydrophobicContact CG2-CD1 4.01Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 3.06Å; I87-I90 PolarHBondContact O-N 2.83Å; I90-S92 VanDerWaalsContact C-N 3.26Å; I90-S92 PolarHBondContact O-N 3.46Å; I90-C93 PolarHBondContact O-N 3.14Å; I90-I94 HydrophobicContact CG2-CD1 4.05Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 3.45Å; I90-I94 VanDerWaalsContact O-N 3.08Å
91I95.4Very high92.4Very high47 Ų4743.9 Ų43.924%0.24124%0.242CC..Hα-helixtrans-61.4-39177.8-60.9168.2000110I87 A88 F89 C93 I94 A95 I108 L111I87-I91 HydrophobicContact CG2-CD1 3.7Å; I87-I91 HydrophobicContact CG2-CG1 4.38Å; I87-I91 VanDerWaalsContact O-CG1 3.28Å; I87-I91 WeakPolarHBondContact O-CG1 3.46Å; I87-I91 PolarHBondContact O-N 3.4Å; A88-I91 PolarHBondContact O-N 3.41Å; F89-I91 PolarHBondContact O-N 2.73Å; I91-C93 PolarHBondContact O-N 2.91Å; I91-I94 PolarHBondContact O-N 3.41Å; I91-A95 WeakPolarHBondContact O-CB 3.43Å; I91-A95 PolarHBondContact O-N 3.31Å; I91-I108 HydrophobicContact CB-CG1 4.14Å; I91-I108 HydrophobicContact CG2-CD1 3.93Å; I91-I108 HydrophobicContact CG2-CG1 3.63Å; I91-L111 HydrophobicContact CD1-CD1 3.94Å
92S94.3Very high91.8Very high0 Ų044.7 Ų44.70%025%0.246CC..Hα-helixtrans-63.4-40.4177.281.50000113.4A88 F89 I90 A95 L96A88-S92 VanDerWaalsContact O-CB 3.3Å; A88-S92 WeakPolarHBondContact O-CB 3.43Å; A88-S92 PolarHBondContact O-N 3.45Å; F89-S92 WeakPolarHBondContact O-CB 3.32Å; F89-S92 PolarHBondContact O-N 3.01Å; F89-S92 VanDerWaalsContact O-N 3.13Å; F89-S92 PolarHBondContact O-OG 2.94Å; I90-S92 VanDerWaalsContact C-N 3.26Å; I90-S92 PolarHBondContact O-N 3.46Å; S92-A95 PolarHBondContact O-N 2.72Å; S92-L96 WeakPolarHBondContact O-CB 3.1Å; S92-L96 PolarHBondContact O-N 3.31Å
93C92.6Very high91.4Very high31 Ų3147.6 Ų47.621%0.20927%0.268CS..Hα-helixtrans-63.6-44.4175.5-74.30000110.9F89 I90 I91 C97 C98F89-C93 PolarHBondContact O-N 3.35Å; I90-C93 PolarHBondContact O-N 3.14Å; I91-C93 PolarHBondContact O-N 2.91Å; C93-C97 WeakPolarHBondContact O-CA 3.28Å; C93-C97 WeakPolarHBondContact O-CB 3.3Å; C93-C97 PolarHBondContact O-N 2.93Å; C93-C98 PolarHBondContact O-N 3.46Å
94I91.7Very high91Very high81 Ų8145.9 Ų45.942%0.41526%0.26SS..Iπ-helixtrans-63.5-49177.1-63.4167.6000110.2I90 I91 C98 T99I90-I94 HydrophobicContact CG2-CD1 4.05Å; I90-I94 WeakPolarHBondContact O-CG1 3.49Å; I90-I94 PolarHBondContact O-N 3.45Å; I90-I94 VanDerWaalsContact O-N 3.08Å; I91-I94 PolarHBondContact O-N 3.41Å; I94-C98 WeakPolarHBondContact O-CB 3.37Å; I94-C98 PolarHBondContact O-N 3.27Å; I94-T99 PolarHBondContact O-N 2.68Å; I94-T99 VanDerWaalsContact O-N 3.12Å; I94-T99 PolarHBondContact O-OG1 2.9Å
95A89.8Confident90.7Very high0 Ų044.4 Ų44.40%025%0.252CS..Iπ-helixtrans-66.4-39.2-175.100000113.2I91 S92 L100 N101 L104 I108I91-A95 WeakPolarHBondContact O-CB 3.43Å; I91-A95 PolarHBondContact O-N 3.31Å; S92-A95 PolarHBondContact O-N 2.72Å; A95-L100 CarbonylContact O-C 3.53Å; A95-L100 WeakPolarHBondContact O-CA 3.31Å; A95-L100 PolarHBondContact O-N 3.24Å; A95-N101 PolarHBondContact O-N 2.94Å; A95-L104 HydrophobicContact CB-CB 4.02Å; A95-L104 HydrophobicContact CB-CD1 4.25Å; A95-I108 HydrophobicContact CB-CD1 3.95Å
96L86.5Confident90.5Very high3 Ų347.2 Ų47.22%0.01627%0.271CS..Iπ-helixtrans-99.2-32.8-175.8-72.4170.4000113.9P16 S92 L105 F162 L165P16-L96 HydrophobicContact CG-CB 4.49Å; P16-L96 HydrophobicContact CG-CD1 3.89Å; S92-L96 WeakPolarHBondContact O-CB 3.1Å; S92-L96 PolarHBondContact O-N 3.31Å; L96-L105 HydrophobicContact CD1-CD2 4.17Å; L96-L105 HydrophobicContact CD2-CD1 4.4Å; L96-L105 HydrophobicContact CD2-CD2 3.72Å; L96-L105 HydrophobicContact CG-CD2 3.8Å; L96-F162 HydrophobicContact CD1-CE1 3.64Å; L96-F162 HydrophobicContact CD1-CZ 4.1Å; L96-L165 HydrophobicContact CD2-CD2 4.2Å
97C81.7Confident90.4Very high37 Ų3747.8 Ų47.825%0.2528%0.277CS..Iπ-helixtrans-101.4-33.1-170.6-50.50000113.3W13 C93W13-C97 HydrophobicContact CE3-CB 4.46Å; W13-C97 HydrophobicContact CH2-CB 3.5Å; W13-C97 HydrophobicContact CZ2-CB 3.64Å; W13-C97 HydrophobicContact CZ3-CB 3.94Å; W13-C97 WeakPolarHBondContact CZ3-SG 3.07Å; C93-C97 WeakPolarHBondContact O-CA 3.28Å; C93-C97 WeakPolarHBondContact O-CB 3.3Å; C93-C97 PolarHBondContact O-N 2.93Å
98C82.1Confident90.3Very high100 Ų10044 Ų4468%0.67626%0.257SS*.Iπ-helixtrans-96.3-56.9-175.3-60.20000113C93 I94C93-C98 PolarHBondContact O-N 3.46Å; I94-C98 WeakPolarHBondContact O-CB 3.37Å; I94-C98 PolarHBondContact O-N 3.27Å
99T79.1Confident90.3Very high93 Ų9344 Ų4457%0.57126%0.257SS*.SBendtrans-118-1.7-166.660.90000114.9I94I94-T99 PolarHBondContact O-N 2.68Å; I94-T99 VanDerWaalsContact O-N 3.12Å; I94-T99 PolarHBondContact O-OG1 2.9Å
100L81.9Confident90.3Very high43 Ų4344 Ų4423%0.22527%0.267CS..  trans39.971.8-170.3-163.5131.3000112.8R12 A95 I102 T173R12-L100 VanDerWaalsContact NE-CD1 3.31Å; R12-L100 VanDerWaalsContact NH1-CD1 3.3Å; R12-L100 VanDerWaalsContact NH2-CD1 3.28Å; A95-L100 CarbonylContact O-C 3.53Å; A95-L100 WeakPolarHBondContact O-CA 3.31Å; A95-L100 PolarHBondContact O-N 3.24Å; L100-I102 HydrophobicContact CD2-CD1 3.89Å; L100-I102 HydrophobicContact CD2-CG1 3.99Å; L100-I102 HydrophobicContact CG-CD1 4.19Å; L100-T173 HydrophobicContact CD2-CG2 3.76Å
101N85.9Confident90.4Very high58 Ų5841.9 Ų41.931%0.3126%0.256SS..  trans-107.394.3179.3-169.1-14.5000111A95 S103 L104A95-N101 PolarHBondContact O-N 2.94Å; N101-S103 PolarHBondContact O-N 3.46Å; N101-S103 PolarHBondContact OD1-N 3.33Å; N101-S103 PolarHBondContact OD1-OG 3.2Å; N101-L104 HydrophobicContact CB-CD1 4.06Å; N101-L104 HydrophobicContact CB-CG 4.32Å; N101-L104 PolarHBondContact O-N 3.43Å
102I86.6Confident90.5Very high16 Ų1639.6 Ų39.68%0.08224%0.244CC..G310 helixtrans-64-29.7-176.6-56.7-57000112.2L100 L104 L105 P106 P166 E169 L172L100-I102 HydrophobicContact CD2-CD1 3.89Å; L100-I102 HydrophobicContact CD2-CG1 3.99Å; L100-I102 HydrophobicContact CG-CD1 4.19Å; I102-L104 PolarHBondContact O-N 3.25Å; I102-L105 HydrophobicContact CB-CD1 4.41Å; I102-L105 HydrophobicContact CD1-CD1 3.8Å; I102-L105 HydrophobicContact CG2-CD1 4.13Å; I102-L105 WeakPolarHBondContact O-CB 3.46Å; I102-L105 PolarHBondContact O-N 3.03Å; I102-L105 VanDerWaalsContact O-N 3.13Å; I102-P106 WeakPolarHBondContact O-CD 3.49Å; I102-P166 HydrophobicContact CG2-CB 3.77Å; I102-P166 HydrophobicContact CG2-CG 4.12Å; I102-E169 HydrophobicContact CG1-CG 4.21Å; I102-L172 HydrophobicContact CD1-CB 4.48Å; I102-L172 HydrophobicContact CD1-CD1 3.9Å
103S88.5Confident90.7Very high86 Ų8643.6 Ų43.660%0.60126%0.262SS*.G310 helixtrans-65.8-22.6179.871.70000113.7N101N101-S103 PolarHBondContact O-N 3.46Å; N101-S103 PolarHBondContact OD1-N 3.33Å; N101-S103 PolarHBondContact OD1-OG 3.2Å
104L91.4Very high91Very high55 Ų5546.2 Ų46.229%0.28827%0.273SS..G310 helixtrans-81.9-16.5176.6-67.7177.5000113.3A95 N101 I102 V107 I108A95-L104 HydrophobicContact CB-CB 4.02Å; A95-L104 HydrophobicContact CB-CD1 4.25Å; N101-L104 HydrophobicContact CB-CD1 4.06Å; N101-L104 HydrophobicContact CB-CG 4.32Å; N101-L104 PolarHBondContact O-N 3.43Å; I102-L104 PolarHBondContact O-N 3.25Å; L104-V107 WeakPolarHBondContact O-CB 3.43Å; L104-V107 PolarHBondContact O-N 3.47Å; L104-I108 WeakPolarHBondContact O-CG1 3.37Å; L104-I108 PolarHBondContact O-N 3.02Å
105L92.4Very high91.3Very high0 Ų042.3 Ų42.30%025%0.253CS..Hα-helixtrans-63.9-44.9-175.2-58.3171.4000112.9L96 I102 V107 I108 G109 F162 L165 P166L96-L105 HydrophobicContact CD1-CD2 4.17Å; L96-L105 HydrophobicContact CD2-CD1 4.4Å; L96-L105 HydrophobicContact CD2-CD2 3.72Å; L96-L105 HydrophobicContact CG-CD2 3.8Å; I102-L105 HydrophobicContact CB-CD1 4.41Å; I102-L105 HydrophobicContact CD1-CD1 3.8Å; I102-L105 HydrophobicContact CG2-CD1 4.13Å; I102-L105 WeakPolarHBondContact O-CB 3.46Å; I102-L105 PolarHBondContact O-N 3.03Å; I102-L105 VanDerWaalsContact O-N 3.13Å; L105-V107 VanDerWaalsContact C-N 3.26Å; L105-V107 PolarHBondContact O-N 3.35Å; L105-I108 HydrophobicContact CD2-CD1 4.3Å; L105-I108 PolarHBondContact O-N 3.24Å; L105-G109 PolarHBondContact O-N 2.92Å; L105-F162 CarbonylContact C-O 3.58Å; L105-F162 HydrophobicContact CB-CD1 4.32Å; L105-F162 WeakPolarHBondContact CB-O 3.31Å; L105-F162 HydrophobicContact CD2-CD1 3.63Å; L105-F162 HydrophobicContact CD2-CE1 3.79Å; L105-L165 HydrophobicContact CD1-CB 3.88Å; L105-L165 HydrophobicContact CD1-CD2 4.42Å; L105-P166 HydrophobicContact CB-CG 4Å; L105-P166 HydrophobicContact CD1-CG 4.29Å
106P94.1Very high91.7Very high59 Ų5943 Ų4338%0.38326%0.257SS..Hα-helixtrans-61.9-33.5173.5-23.334.7000113.3I102 G109 A110 P166I102-P106 WeakPolarHBondContact O-CD 3.49Å; P106-G109 PolarHBondContact O-N 3.36Å; P106-A110 PolarHBondContact O-N 3.08Å; P106-P166 HydrophobicContact CG-CG 3.92Å
107V95.6Very high92.3Very high77 Ų7747 Ų4747%0.46728%0.281SS..Hα-helixtrans-66.1-44.5177.7-178.80000110.2L104 L105 G109 A110 L111L104-V107 WeakPolarHBondContact O-CB 3.43Å; L104-V107 PolarHBondContact O-N 3.47Å; L105-V107 VanDerWaalsContact C-N 3.26Å; L105-V107 PolarHBondContact O-N 3.35Å; V107-G109 VanDerWaalsContact C-N 3.34Å; V107-A110 PolarHBondContact O-N 3.16Å; V107-L111 WeakPolarHBondContact O-CG 3.33Å; V107-L111 PolarHBondContact O-N 3Å
108I96.6Very high93.1Very high0 Ų046.6 Ų46.60%028%0.277CS..Hα-helixtrans-59.1-47.8172.6-63.1157.1000109.7A88 I91 A95 L104 L105 A110 L111 L112 F162A88-I108 HydrophobicContact CB-CG2 4.38Å; I91-I108 HydrophobicContact CB-CG1 4.14Å; I91-I108 HydrophobicContact CG2-CD1 3.93Å; I91-I108 HydrophobicContact CG2-CG1 3.63Å; A95-I108 HydrophobicContact CB-CD1 3.95Å; L104-I108 WeakPolarHBondContact O-CG1 3.37Å; L104-I108 PolarHBondContact O-N 3.02Å; L105-I108 HydrophobicContact CD2-CD1 4.3Å; L105-I108 PolarHBondContact O-N 3.24Å; I108-A110 VanDerWaalsContact C-N 3.31Å; I108-A110 PolarHBondContact O-N 3.1Å; I108-L111 WeakPolarHBondContact O-CB 3.45Å; I108-L111 PolarHBondContact O-N 3.31Å; I108-L111 VanDerWaalsContact O-N 3.14Å; I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CG 3.25Å; I108-L112 PolarHBondContact O-N 3.17Å; I108-F162 HydrophobicContact CB-CD1 4.08Å; I108-F162 HydrophobicContact CB-CE1 4.46Å; I108-F162 HydrophobicContact CB-CG 4.23Å; I108-F162 HydrophobicContact CD1-CD1 4.16Å; I108-F162 HydrophobicContact CD1-CE1 4Å; I108-F162 HydrophobicContact CG2-CD1 3.86Å; I108-F162 HydrophobicContact CG2-CD2 3.79Å; I108-F162 HydrophobicContact CG2-CE1 3.97Å; I108-F162 HydrophobicContact CG2-CE2 3.9Å; I108-F162 HydrophobicContact CG2-CG 3.79Å; I108-F162 HydrophobicContact CG2-CZ 4.02Å
109G96.7Very high93.8Very high0 Ų041.9 Ų41.90%024%0.244CC..Hα-helixtrans-55.2-44.5177.300000112.9L105 P106 V107 L112 F113L105-G109 PolarHBondContact O-N 2.92Å; P106-G109 PolarHBondContact O-N 3.36Å; V107-G109 VanDerWaalsContact C-N 3.34Å; G109-L112 PolarHBondContact O-N 2.98Å; G109-F113 WeakPolarHBondContact O-CD2 3.28Å; G109-F113 PolarHBondContact O-N 2.9Å
110A97.4Very high94.7Very high50 Ų5041.9 Ų41.941%0.41324%0.237SC..Hα-helixtrans-62.5-43176.200000112.7P106 V107 I108 L112 F113 I114P106-A110 PolarHBondContact O-N 3.08Å; V107-A110 PolarHBondContact O-N 3.16Å; I108-A110 VanDerWaalsContact C-N 3.31Å; I108-A110 PolarHBondContact O-N 3.1Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 3.45Å; A110-F113 PolarHBondContact O-N 3.27Å; A110-I114 WeakPolarHBondContact O-CG1 3.43Å; A110-I114 PolarHBondContact O-N 3.04Å
111L97.9Very high95.5Very high43 Ų4343.4 Ų43.423%0.22524%0.244CC..Hα-helixtrans-59.9-42.5174.6-69.9172.7000111.6I84 A88 I91 V107 I108 F113 I114 T115I84-L111 HydrophobicContact CG2-CB 4.29Å; I84-L111 HydrophobicContact CG2-CD2 4.34Å; A88-L111 HydrophobicContact CB-CB 4.24Å; I91-L111 HydrophobicContact CD1-CD1 3.94Å; V107-L111 WeakPolarHBondContact O-CG 3.33Å; V107-L111 PolarHBondContact O-N 3Å; I108-L111 WeakPolarHBondContact O-CB 3.45Å; I108-L111 PolarHBondContact O-N 3.31Å; I108-L111 VanDerWaalsContact O-N 3.14Å; L111-F113 PolarHBondContact O-N 3.47Å; L111-I114 WeakPolarHBondContact O-CB 3.1Å; L111-I114 PolarHBondContact O-N 3.37Å; L111-T115 PolarHBondContact O-N 3.05Å; L111-T115 PolarHBondContact O-OG1 2.96Å
112L98.3Very high96.1Very high0 Ų040.7 Ų40.70%023%0.23CC..Hα-helixtrans-64.5-39.5177.6-63.1175.5000111.8L19 L85 A88 I108 G109 A110 I114 T115 V116 T155 C158 F162L19-L112 HydrophobicContact CD1-CD1 4.45Å; L19-L112 HydrophobicContact CD1-CD2 4.38Å; L19-L112 HydrophobicContact CD2-CD1 3.92Å; L19-L112 HydrophobicContact CD2-CD2 3.61Å; L19-L112 HydrophobicContact CD2-CG 4.44Å; L85-L112 HydrophobicContact CD1-CD2 3.63Å; A88-L112 HydrophobicContact CB-CD2 3.68Å; A88-L112 HydrophobicContact CB-CG 4.3Å; I108-L112 HydrophobicContact CG2-CD1 4.09Å; I108-L112 HydrophobicContact CG2-CG 4.32Å; I108-L112 WeakPolarHBondContact O-CG 3.25Å; I108-L112 PolarHBondContact O-N 3.17Å; G109-L112 PolarHBondContact O-N 2.98Å; A110-L112 VanDerWaalsContact C-N 3.32Å; A110-L112 PolarHBondContact O-N 3.45Å; L112-I114 VanDerWaalsContact C-N 3.32Å; L112-I114 PolarHBondContact O-N 3.47Å; L112-T115 WeakPolarHBondContact O-CB 3.47Å; L112-T115 PolarHBondContact O-N 3.34Å; L112-V116 VanDerWaalsContact O-CG2 3.29Å; L112-V116 WeakPolarHBondContact O-CG2 3.49Å; L112-V116 PolarHBondContact O-N 3.37Å; L112-T155 HydrophobicContact CB-CG2 4Å; L112-T155 HydrophobicContact CD2-CG2 3.96Å; L112-C158 HydrophobicContact CD1-CB 3.9Å; L112-F162 HydrophobicContact CD1-CD2 3.45Å; L112-F162 VanDerWaalsContact CD1-CD2 3.45Å; L112-F162 HydrophobicContact CD1-CE2 3.93Å; L112-F162 HydrophobicContact CD1-CG 4.42Å
113F98.3Very high96.6Very high83 Ų8339.9 Ų39.936%0.36423%0.226SC..Hα-helixtrans-65.1-35.3174.4-76.8-61.9000112.8G109 A110 L111 V116 V117 I160G109-F113 WeakPolarHBondContact O-CD2 3.28Å; G109-F113 PolarHBondContact O-N 2.9Å; A110-F113 PolarHBondContact O-N 3.27Å; L111-F113 PolarHBondContact O-N 3.47Å; F113-V116 PolarHBondContact O-N 3.41Å; F113-V117 WeakPolarHBondContact O-CG2 3.37Å; F113-V117 PolarHBondContact O-N 3.45Å; F113-I160 HydrophobicContact CZ-CG1 4.02Å
114I98.3Very high97.1Very high86 Ų8639.2 Ų39.244%0.44122%0.215SC..Hα-helixtrans-63.6-47.3172.9-67.7165000110.1I84 A110 L111 L112 V116 V117 I118I84-I114 HydrophobicContact CD1-CG2 4.18Å; A110-I114 WeakPolarHBondContact O-CG1 3.43Å; A110-I114 PolarHBondContact O-N 3.04Å; L111-I114 WeakPolarHBondContact O-CB 3.1Å; L111-I114 PolarHBondContact O-N 3.37Å; L112-I114 VanDerWaalsContact C-N 3.32Å; L112-I114 PolarHBondContact O-N 3.47Å; I114-V116 VanDerWaalsContact C-N 3.31Å; I114-V116 PolarHBondContact O-N 3.05Å; I114-V117 PolarHBondContact O-N 3.09Å; I114-I118 HydrophobicContact CG2-CD1 3.85Å; I114-I118 WeakPolarHBondContact O-CG1 3.27Å; I114-I118 PolarHBondContact O-N 3.28Å; I114-I118 VanDerWaalsContact O-N 3.12Å
115T98.3Very high97.3Very high0 Ų039 Ų390%021%0.213CC..Hα-helixtrans-54.6-47.3174.3-67.70000111.4G81 I84 L85 L111 L112 V117 I118 Q119 T155G81-T115 WeakPolarHBondContact O-CG2 3.49Å; I84-T115 WeakPolarHBondContact CB-OG1 3.07Å; I84-T115 WeakPolarHBondContact CG2-OG1 3.23Å; L85-T115 HydrophobicContact CB-CG2 4.2Å; L111-T115 PolarHBondContact O-N 3.05Å; L111-T115 PolarHBondContact O-OG1 2.96Å; L112-T115 WeakPolarHBondContact O-CB 3.47Å; L112-T115 PolarHBondContact O-N 3.34Å; T115-V117 PolarHBondContact O-N 3.14Å; T115-I118 PolarHBondContact O-N 2.88Å; T115-Q119 HydrophobicContact CG2-CG 4.19Å; T115-Q119 WeakPolarHBondContact O-CB 3.4Å; T115-Q119 WeakPolarHBondContact O-CG 3.29Å; T115-Q119 PolarHBondContact O-N 3.05Å; T115-T155 HydrophobicContact CG2-CG2 4.18Å
116V98.5Very high97.5Very high15 Ų1539.1 Ų39.19%0.09121%0.214CC..Hα-helixtrans-58-47.4179166.10000111.6L112 F113 I114 I118 Q119 F120 T152 T155 I156L112-V116 VanDerWaalsContact O-CG2 3.29Å; L112-V116 WeakPolarHBondContact O-CG2 3.49Å; L112-V116 PolarHBondContact O-N 3.37Å; F113-V116 PolarHBondContact O-N 3.41Å; I114-V116 VanDerWaalsContact C-N 3.31Å; I114-V116 PolarHBondContact O-N 3.05Å; V116-I118 VanDerWaalsContact C-N 3.31Å; V116-I118 PolarHBondContact O-N 3.2Å; V116-Q119 PolarHBondContact O-N 3.22Å; V116-F120 WeakPolarHBondContact O-CB 3.48Å; V116-F120 PolarHBondContact O-N 2.87Å; V116-T152 HydrophobicContact CG1-CG2 4.21Å; V116-T155 HydrophobicContact CG2-CG2 3.7Å; V116-I156 HydrophobicContact CB-CG1 4.17Å; V116-I156 HydrophobicContact CG1-CD1 3.85Å; V116-I156 HydrophobicContact CG1-CG1 3.51Å; V116-I156 HydrophobicContact CG2-CB 4.43Å; V116-I156 HydrophobicContact CG2-CG1 3.52Å
117V98.5Very high97.6Very high86 Ų8637.1 Ų37.152%0.52120%0.201SC..Hα-helixtrans-61-45.2-179.1171.10000110.4F113 I114 T115 I121F113-V117 WeakPolarHBondContact O-CG2 3.37Å; F113-V117 PolarHBondContact O-N 3.45Å; I114-V117 PolarHBondContact O-N 3.09Å; T115-V117 PolarHBondContact O-N 3.14Å; V117-I121 HydrophobicContact CG1-CD1 3.81Å; V117-I121 WeakPolarHBondContact O-CB 3.5Å; V117-I121 WeakPolarHBondContact O-CD1 3.33Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 2.93Å
118I98.2Very high97.6Very high29 Ų2937.5 Ų37.515%0.14920%0.203CC..Hα-helixtrans-62.2-49.2179.7-69.1171.1000111.2L77 I80 I84 I114 T115 V116 I121 A122L77-I118 HydrophobicContact CB-CG2 3.87Å; L77-I118 HydrophobicContact CD2-CG2 3.84Å; L77-I118 HydrophobicContact CG-CG2 4.47Å; L77-I118 WeakPolarHBondContact O-CG2 3.37Å; I80-I118 HydrophobicContact CG2-CD1 4.2Å; I84-I118 HydrophobicContact CD1-CD1 3.83Å; I114-I118 HydrophobicContact CG2-CD1 3.85Å; I114-I118 WeakPolarHBondContact O-CG1 3.27Å; I114-I118 PolarHBondContact O-N 3.28Å; I114-I118 VanDerWaalsContact O-N 3.12Å; T115-I118 PolarHBondContact O-N 2.88Å; V116-I118 VanDerWaalsContact C-N 3.31Å; V116-I118 PolarHBondContact O-N 3.2Å; I118-I121 PolarHBondContact O-N 3.07Å; I118-A122 PolarHBondContact O-N 3.49Å; I118-A122 VanDerWaalsContact O-N 3.12Å
119Q97.9Very high97.5Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-67.7-42.3-179.4-71.7177.6-26.500112.1D26 M78 T115 V116 I121 A122 L123 T152D26-Q119 PolarHBondContact OD1-NE2 3.44Å; D26-Q119 PolarHBondContact OD2-NE2 2.92Å; M78-Q119 HydrophobicContact SD-CG 4.45Å; T115-Q119 HydrophobicContact CG2-CG 4.19Å; T115-Q119 WeakPolarHBondContact O-CB 3.4Å; T115-Q119 WeakPolarHBondContact O-CG 3.29Å; T115-Q119 PolarHBondContact O-N 3.05Å; V116-Q119 PolarHBondContact O-N 3.22Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.24Å; Q119-A122 WeakPolarHBondContact O-CB 3.06Å; Q119-A122 PolarHBondContact O-N 3.49Å; Q119-A122 VanDerWaalsContact O-N 3.14Å; Q119-L123 WeakPolarHBondContact O-CB 3.49Å; Q119-L123 VanDerWaalsContact O-CG 3.31Å; Q119-L123 WeakPolarHBondContact O-CG 3.14Å; Q119-L123 PolarHBondContact O-N 2.84Å; Q119-T152 HydrophobicContact CB-CG2 4.49Å
120F98.3Very high97.3Very high94 Ų9441.7 Ų41.741%0.41222%0.221SC..Hα-helixtrans-59.6-44.1176.9-173-87.1000111.2V116 A122 L123 I124 W149V116-F120 WeakPolarHBondContact O-CB 3.48Å; V116-F120 PolarHBondContact O-N 2.87Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 3.04Å; F120-L123 PolarHBondContact O-N 3.42Å; F120-I124 HydrophobicContact CD1-CG1 4.08Å; F120-I124 HydrophobicContact CE1-CD1 4.41Å; F120-I124 HydrophobicContact CE1-CG1 3.75Å; F120-I124 HydrophobicContact CZ-CD1 4.32Å; F120-I124 HydrophobicContact CZ-CG1 4.13Å; F120-I124 VanDerWaalsContact O-CG1 3.3Å; F120-I124 WeakPolarHBondContact O-CG1 3.45Å; F120-I124 PolarHBondContact O-N 3.16Å; F120-W149 AromaticContact CD2-CH2 3.71Å; F120-W149 HydrophobicContact CD2-CH2 3.71Å; F120-W149 AromaticContact CD2-CZ3 3.58Å; F120-W149 HydrophobicContact CD2-CZ3 3.58Å; F120-W149 AromaticContact CE2-CH2 3.54Å; F120-W149 HydrophobicContact CE2-CH2 3.54Å; F120-W149 AromaticContact CE2-CZ3 3.59Å; F120-W149 HydrophobicContact CE2-CZ3 3.59Å; F120-W149 HydrophobicContact CZ-CH2 4.26Å
121I98.2Very high97Very high75 Ų7543.4 Ų43.439%0.38522%0.223SC..Hα-helixtrans-59.7-46.4175.1-69.6165.7000110.5L77 V117 I118 Q119 L123 I124 I125L77-I121 HydrophobicContact CD1-CG2 3.92Å; V117-I121 HydrophobicContact CG1-CD1 3.81Å; V117-I121 WeakPolarHBondContact O-CB 3.5Å; V117-I121 WeakPolarHBondContact O-CD1 3.33Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 2.93Å; I118-I121 PolarHBondContact O-N 3.07Å; Q119-I121 VanDerWaalsContact C-N 3.32Å; Q119-I121 PolarHBondContact O-N 3.24Å; I121-L123 PolarHBondContact O-N 2.89Å; I121-I124 PolarHBondContact O-N 3.4Å; I121-I125 HydrophobicContact CG2-CD1 3.5Å; I121-I125 HydrophobicContact CG2-CG1 4.17Å; I121-I125 WeakPolarHBondContact O-CB 3.16Å; I121-I125 VanDerWaalsContact O-CG1 3.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.5Å
122A97.8Very high96.6Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-59.9-45.9178.600000112.4V74 L77 M78 I118 Q119 F120 I124 I125 Y126V74-A122 HydrophobicContact CG1-CB 4.21Å; L77-A122 HydrophobicContact CB-CB 3.77Å; L77-A122 HydrophobicContact CD1-CB 4.2Å; M78-A122 HydrophobicContact CG-CB 3.88Å; M78-A122 HydrophobicContact SD-CB 3.83Å; I118-A122 PolarHBondContact O-N 3.49Å; I118-A122 VanDerWaalsContact O-N 3.12Å; Q119-A122 WeakPolarHBondContact O-CB 3.06Å; Q119-A122 PolarHBondContact O-N 3.49Å; Q119-A122 VanDerWaalsContact O-N 3.14Å; F120-A122 VanDerWaalsContact C-N 3.34Å; F120-A122 PolarHBondContact O-N 3.04Å; A122-I124 VanDerWaalsContact C-N 3.26Å; A122-I124 PolarHBondContact O-N 2.99Å; A122-I125 PolarHBondContact O-N 2.82Å; A122-Y126 WeakPolarHBondContact O-CB 3.42Å; A122-Y126 PolarHBondContact O-N 3.32Å
123L97.7Very high96.1Very high0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-67.4-22.6179.8-70.1170.9000113.5W36 Q119 F120 I121 P127 Y145 W149 T152W36-L123 HydrophobicContact CH2-CD2 4.2Å; W36-L123 HydrophobicContact CZ3-CD2 4.3Å; Q119-L123 WeakPolarHBondContact O-CB 3.49Å; Q119-L123 VanDerWaalsContact O-CG 3.31Å; Q119-L123 WeakPolarHBondContact O-CG 3.14Å; Q119-L123 PolarHBondContact O-N 2.84Å; F120-L123 PolarHBondContact O-N 3.42Å; I121-L123 PolarHBondContact O-N 2.89Å; L123-P127 WeakPolarHBondContact O-CD 3.3Å; L123-P127 VanDerWaalsContact O-CG 3.26Å; L123-P127 WeakPolarHBondContact O-CG 2.89Å; L123-Y145 HydrophobicContact CB-CE2 4.49Å; L123-Y145 HydrophobicContact CD2-CD2 4.02Å; L123-Y145 HydrophobicContact CD2-CE2 3.89Å; L123-Y145 PolarHBondContact O-OH 3.33Å; L123-Y145 VanDerWaalsContact O-OH 3.06Å; L123-W149 HydrophobicContact CB-CD2 4.48Å; L123-W149 HydrophobicContact CB-CH2 4.24Å; L123-W149 HydrophobicContact CB-CZ2 3.7Å; L123-W149 HydrophobicContact CD1-CD2 3.8Å; L123-W149 HydrophobicContact CD1-CE3 4.03Å; L123-W149 HydrophobicContact CD1-CG 4.09Å; L123-W149 HydrophobicContact CD1-CZ2 4.42Å; L123-W149 HydrophobicContact CD1-CZ3 4.44Å; L123-T152 WeakPolarHBondContact CD1-OG1 3.39Å
124I97.9Very high95.4Very high72 Ų7245.8 Ų45.837%0.36924%0.24SC..Hα-helixtrans-88.4-41.3173.3-64.7-63.7000111.6F120 I121 A122 Y126 P127 V128 W149F120-I124 HydrophobicContact CD1-CG1 4.08Å; F120-I124 HydrophobicContact CE1-CD1 4.41Å; F120-I124 HydrophobicContact CE1-CG1 3.75Å; F120-I124 HydrophobicContact CZ-CD1 4.32Å; F120-I124 HydrophobicContact CZ-CG1 4.13Å; F120-I124 VanDerWaalsContact O-CG1 3.3Å; F120-I124 WeakPolarHBondContact O-CG1 3.45Å; F120-I124 PolarHBondContact O-N 3.16Å; I121-I124 PolarHBondContact O-N 3.4Å; A122-I124 VanDerWaalsContact C-N 3.26Å; A122-I124 PolarHBondContact O-N 2.99Å; I124-Y126 VanDerWaalsContact C-N 3.29Å; I124-Y126 PolarHBondContact O-N 3.14Å; I124-P127 VanDerWaalsContact O-CD 3.27Å; I124-P127 WeakPolarHBondContact O-CD 3.43Å; I124-P127 WeakPolarHBondContact O-CG 3.25Å; I124-V128 HydrophobicContact CG2-CG2 4.19Å; I124-V128 WeakPolarHBondContact O-CB 3.14Å; I124-V128 WeakPolarHBondContact O-CG2 3.26Å; I124-V128 PolarHBondContact O-N 2.83Å; I124-W149 HydrophobicContact CD1-CH2 3.95Å; I124-W149 HydrophobicContact CD1-CZ2 3.92Å; I124-W149 HydrophobicContact CG1-CH2 4.38Å
125I97.5Very high94.1Very high51 Ų5149.6 Ų49.626%0.26225%0.254SS..Hα-helixtrans-60.3-43.3178.9-71.6172.5000110.6W70 V74 L77 I121 A122 V128 K129W70-I125 HydrophobicContact CB-CG2 4.4Å; W70-I125 HydrophobicContact CE3-CG2 4.49Å; V74-I125 HydrophobicContact CG2-CB 3.93Å; V74-I125 HydrophobicContact CG2-CG2 3.61Å; L77-I125 HydrophobicContact CD1-CD1 4.4Å; I121-I125 HydrophobicContact CG2-CD1 3.5Å; I121-I125 HydrophobicContact CG2-CG1 4.17Å; I121-I125 WeakPolarHBondContact O-CB 3.16Å; I121-I125 VanDerWaalsContact O-CG1 3.28Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.5Å; A122-I125 PolarHBondContact O-N 2.82Å; I125-V128 PolarHBondContact O-N 3.43Å; I125-K129 HydrophobicContact CG2-CG 4.23Å; I125-K129 WeakPolarHBondContact O-CB 3.31Å; I125-K129 PolarHBondContact O-N 2.74Å
126Y96.4Very high92.7Very high1 Ų157.9 Ų57.90%0.00429%0.292CS..Hα-helixtrans-54.6-60.3-176.7-173.7-87000112.7W36 V37 S48 L65 W70 V74 A122 I124 V128 K129 F130 Y141W36-Y126 HydrophobicContact CB-CE1 4.03Å; W36-Y126 WeakPolarHBondContact CB-OH 3.27Å; W36-Y126 HydrophobicContact CD2-CE1 4.37Å; W36-Y126 HydrophobicContact CD2-CE2 4.47Å; W36-Y126 AromaticContact CE3-CD1 3.57Å; W36-Y126 HydrophobicContact CE3-CD1 3.57Å; W36-Y126 AromaticContact CE3-CD2 3.88Å; W36-Y126 HydrophobicContact CE3-CD2 3.88Å; W36-Y126 AromaticContact CE3-CE1 3.58Å; W36-Y126 HydrophobicContact CE3-CE1 3.58Å; W36-Y126 AromaticContact CE3-CE2 3.88Å; W36-Y126 HydrophobicContact CE3-CE2 3.88Å; W36-Y126 AromaticContact CE3-CG 3.71Å; W36-Y126 HydrophobicContact CE3-CG 3.71Å; W36-Y126 AromaticContact CE3-CZ 3.73Å; W36-Y126 AromaticContact CZ3-CD1 4Å; W36-Y126 HydrophobicContact CZ3-CD1 4Å; W36-Y126 AromaticContact CZ3-CD2 3.96Å; W36-Y126 HydrophobicContact CZ3-CD2 3.96Å; W36-Y126 HydrophobicContact CZ3-CE1 4.43Å; W36-Y126 HydrophobicContact CZ3-CE2 4.39Å; W36-Y126 AromaticContact CZ3-CG 3.73Å; W36-Y126 HydrophobicContact CZ3-CG 3.73Å; V37-Y126 HydrophobicContact CG2-CE1 3.56Å; S48-Y126 PolarHBondContact O-OH 3.12Å; L65-Y126 HydrophobicContact CD2-CE2 3.94Å; W70-Y126 HydrophobicContact CH2-CD2 4.49Å; W70-Y126 AromaticContact CZ3-CD2 3.88Å; W70-Y126 HydrophobicContact CZ3-CD2 3.88Å; W70-Y126 HydrophobicContact CZ3-CE2 4.33Å; W70-Y126 HydrophobicContact CZ3-CG 4.47Å; V74-Y126 HydrophobicContact CG1-CD2 4.08Å; A122-Y126 WeakPolarHBondContact O-CB 3.42Å; A122-Y126 PolarHBondContact O-N 3.32Å; I124-Y126 VanDerWaalsContact C-N 3.29Å; I124-Y126 PolarHBondContact O-N 3.14Å; Y126-V128 PolarHBondContact O-N 3.43Å; Y126-K129 PolarHBondContact O-N 3.27Å; Y126-F130 HydrophobicContact CD1-CB 4.4Å; Y126-F130 HydrophobicContact CE1-CB 4.23Å; Y126-F130 HydrophobicContact CE1-CD2 4.11Å; Y126-F130 HydrophobicContact CE1-CG 4.2Å; Y126-F130 HydrophobicContact CE2-CD2 4.31Å; Y126-F130 AromaticContact CZ-CD2 3.76Å; Y126-F130 WeakPolarHBondContact O-CB 3.25Å; Y126-F130 PolarHBondContact O-N 3.33Å; Y126-Y141 HydrophobicContact CD1-CE1 4.04Å; Y126-Y141 HydrophobicContact CE1-CE1 4.06Å
127P95.1Very high91.4Very high17 Ų1759.8 Ų59.811%0.1132%0.315CS..Hα-helixtrans-65.1-37.8-179.527.1-37.4000113.1L123 I124 K129 N131 Y141L123-P127 WeakPolarHBondContact O-CD 3.3Å; L123-P127 VanDerWaalsContact O-CG 3.26Å; L123-P127 WeakPolarHBondContact O-CG 2.89Å; I124-P127 VanDerWaalsContact O-CD 3.27Å; I124-P127 WeakPolarHBondContact O-CD 3.43Å; I124-P127 WeakPolarHBondContact O-CG 3.25Å; P127-K129 VanDerWaalsContact C-N 3.27Å; P127-K129 PolarHBondContact O-N 2.88Å; P127-N131 WeakPolarHBondContact O-CB 3.44Å; P127-N131 PolarHBondContact O-N 3.4Å; P127-N131 PolarHBondContact O-ND2 2.87Å; P127-Y141 WeakPolarHBondContact CA-OH 3.33Å; P127-Y141 HydrophobicContact CB-CD1 4.47Å; P127-Y141 HydrophobicContact CB-CE1 3.6Å; P127-Y141 HydrophobicContact CB-CE2 4.08Å; P127-Y141 VanDerWaalsContact CB-OH 3.3Å; P127-Y141 WeakPolarHBondContact CB-OH 3.08Å; P127-Y141 PolarHBondContact O-OH 2.68Å
128V95.4Very high90.6Very high86 Ų8662.2 Ų62.252%0.52132%0.32SS..Hα-helixtrans-59.9-39.9179.7169.50000111.1I124 I125 Y126I124-V128 HydrophobicContact CG2-CG2 4.19Å; I124-V128 WeakPolarHBondContact O-CB 3.14Å; I124-V128 WeakPolarHBondContact O-CG2 3.26Å; I124-V128 PolarHBondContact O-N 2.83Å; I125-V128 PolarHBondContact O-N 3.43Å; Y126-V128 PolarHBondContact O-N 3.43Å
129K95.1Very high90.1Very high87 Ų8762.9 Ų62.938%0.37832%0.321SS..Hα-helixtrans-91.1-31.4-179.7-68.6-59.1-174.3-174.20114.1W70 I125 Y126 P127 N131 D132W70-K129 HydrophobicContact CB-CB 4.38Å; W70-K129 HydrophobicContact CB-CG 4.01Å; W70-K129 HydrophobicContact CD2-CB 3.39Å; W70-K129 HydrophobicContact CD2-CG 4.03Å; W70-K129 HydrophobicContact CE3-CB 3.61Å; W70-K129 HydrophobicContact CE3-CG 4.35Å; W70-K129 HydrophobicContact CG-CB 3.73Å; W70-K129 HydrophobicContact CG-CG 3.86Å; W70-K129 HydrophobicContact CH2-CB 4.43Å; W70-K129 HydrophobicContact CZ2-CB 4.23Å; W70-K129 HydrophobicContact CZ3-CB 4.13Å; I125-K129 HydrophobicContact CG2-CG 4.23Å; I125-K129 WeakPolarHBondContact O-CB 3.31Å; I125-K129 PolarHBondContact O-N 2.74Å; Y126-K129 PolarHBondContact O-N 3.27Å; P127-K129 VanDerWaalsContact C-N 3.27Å; P127-K129 PolarHBondContact O-N 2.88Å; K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.46Å; K129-D132 WeakPolarHBondContact O-CB 3.44Å; K129-D132 PolarHBondContact O-N 3.22Å
130F91.8Very high89.7Confident1 Ų167.8 Ų67.80%0.00435%0.347CS..Hα-helixtrans-67.2-32.5177.2-164.4-83000111.4V37 H45 A47 L65 W70 Y126 D132 L133 I134V37-F130 HydrophobicContact CB-CD1 4.27Å; V37-F130 HydrophobicContact CB-CE1 3.82Å; V37-F130 HydrophobicContact CB-CZ 4.2Å; V37-F130 HydrophobicContact CG1-CD1 4.17Å; V37-F130 HydrophobicContact CG1-CE1 3.76Å; V37-F130 HydrophobicContact CG2-CD1 3.75Å; V37-F130 HydrophobicContact CG2-CD2 4.49Å; V37-F130 HydrophobicContact CG2-CE1 3.77Å; V37-F130 HydrophobicContact CG2-CG 4.14Å; V37-F130 HydrophobicContact CG2-CZ 4.18Å; H45-F130 AromaticContact CE1-CE1 3.83Å; H45-F130 AromaticContact CE1-CZ 3.6Å; A47-F130 HydrophobicContact CB-CE1 4.45Å; A47-F130 HydrophobicContact CB-CE2 3.57Å; A47-F130 HydrophobicContact CB-CZ 3.38Å; L65-F130 HydrophobicContact CD1-CE2 4.37Å; L65-F130 HydrophobicContact CD2-CD2 3.99Å; L65-F130 HydrophobicContact CD2-CE2 3.97Å; W70-F130 HydrophobicContact CH2-CB 4.18Å; W70-F130 HydrophobicContact CH2-CD2 4.02Å; Y126-F130 HydrophobicContact CD1-CB 4.4Å; Y126-F130 HydrophobicContact CE1-CB 4.23Å; Y126-F130 HydrophobicContact CE1-CD2 4.11Å; Y126-F130 HydrophobicContact CE1-CG 4.2Å; Y126-F130 HydrophobicContact CE2-CD2 4.31Å; Y126-F130 AromaticContact CZ-CD2 3.76Å; Y126-F130 WeakPolarHBondContact O-CB 3.25Å; Y126-F130 PolarHBondContact O-N 3.33Å; F130-D132 PolarHBondContact O-N 2.92Å; F130-L133 WeakPolarHBondContact O-CA 3.43Å; F130-L133 WeakPolarHBondContact O-CB 3.27Å; F130-L133 PolarHBondContact O-N 3.47Å; F130-I134 HydrophobicContact CD1-CD1 3.9Å; F130-I134 HydrophobicContact CD1-CG1 4.1Å; F130-I134 HydrophobicContact CE1-CD1 4.12Å; F130-I134 HydrophobicContact CE1-CG1 4.08Å
131N90.9Very high89.4Confident85 Ų8566.4 Ų66.446%0.45534%0.34SS..G310 helixtrans-59.3-28.9174.4-76.3-14.3000113.3P127 K129 L133 I134 Y141P127-N131 WeakPolarHBondContact O-CB 3.44Å; P127-N131 PolarHBondContact O-N 3.4Å; P127-N131 PolarHBondContact O-ND2 2.87Å; K129-N131 VanDerWaalsContact C-N 3.27Å; K129-N131 PolarHBondContact O-N 3.46Å; N131-L133 PolarHBondContact O-N 2.92Å; N131-I134 PolarHBondContact O-N 3.39Å; N131-I134 VanDerWaalsContact O-N 3.12Å; N131-Y141 PolarHBondContact OD1-OH 3.29Å
132D90.7Very high89.2Confident110 Ų11064.7 Ų64.759%0.58833%0.333SS*.G310 helixtrans-66.7-19.8175-62.4-26.9000112.2K129 F130K129-D132 WeakPolarHBondContact O-CB 3.44Å; K129-D132 PolarHBondContact O-N 3.22Å; F130-D132 PolarHBondContact O-N 2.92Å
133L86.4Confident89.1Confident29 Ų2970.2 Ų70.215%0.15235%0.354CS..G310 helixtrans-92.6-5.2177.4-57.1179.2000112.8R54 F68 W70 F130 N131 F135R54-L133 PolarHBondContact NH2-O 3.43Å; F68-L133 HydrophobicContact CE1-CD2 4.18Å; F68-L133 HydrophobicContact CE2-CD1 4.08Å; F68-L133 HydrophobicContact CE2-CD2 4.46Å; F68-L133 HydrophobicContact CZ-CD1 4.29Å; F68-L133 HydrophobicContact CZ-CD2 3.85Å; W70-L133 HydrophobicContact CZ2-CD1 3.88Å; F130-L133 WeakPolarHBondContact O-CA 3.43Å; F130-L133 WeakPolarHBondContact O-CB 3.27Å; F130-L133 PolarHBondContact O-N 3.47Å; N131-L133 PolarHBondContact O-N 2.92Å; L133-F135 WeakPolarHBondContact O-CD2 3.42Å
134I84.9Confident89Confident38 Ų3870.2 Ų70.220%0.19535%0.354CS..  trans-93.4115.3179.4-68.8173.9000108.2F130 N131 Y139F130-I134 HydrophobicContact CD1-CD1 3.9Å; F130-I134 HydrophobicContact CD1-CG1 4.1Å; F130-I134 HydrophobicContact CE1-CD1 4.12Å; F130-I134 HydrophobicContact CE1-CG1 4.08Å; N131-I134 PolarHBondContact O-N 3.39Å; N131-I134 VanDerWaalsContact O-N 3.12Å; I134-Y139 HydrophobicContact CB-CD2 4.31Å; I134-Y139 HydrophobicContact CB-CE2 4.32Å; I134-Y139 HydrophobicContact CD1-CD1 4.38Å; I134-Y139 HydrophobicContact CD1-CD2 3.87Å; I134-Y139 HydrophobicContact CD1-CG 3.74Å; I134-Y139 HydrophobicContact CG1-CD2 4.05Å; I134-Y139 HydrophobicContact CG1-CE2 4.25Å; I134-Y139 HydrophobicContact CG1-CG 4.2Å; I134-Y139 HydrophobicContact CG2-CD2 3.35Å; I134-Y139 HydrophobicContact CG2-CE2 3.33Å; I134-Y139 HydrophobicContact CG2-CG 4.31Å
135F69.8Low88.9Confident166 Ų16668.2 Ų68.273%0.72834%0.342SS*.  trans-93-48.3-177.4-68-84.2000111.8L133L133-F135 WeakPolarHBondContact O-CD2 3.42Å
136E68.8Low88.9Confident173 Ų17367.5 Ų67.581%0.80835%0.348SS*.SBendtrans-155.7148.7178.5-62.4-177.2165.200110Y139E136-Y139 WeakPolarHBondContact O-CE2 3.4Å; E136-Y139 PolarHBondContact O-OH 3.04Å
137G73Confident89Confident55 Ų5570.5 Ų70.557%0.56736%0.361SS*.SBendtrans119.2171.3177.400000114.6
138H81.2Confident89.1Confident138 Ų13869.7 Ų69.764%0.63936%0.355SS*.  trans-95.7111.7175.9-72.5-67.3000109.5
139Y86.4Confident89.2Confident43 Ų4368.4 Ų68.417%0.16934%0.341CS..EExtended strand (participates in β ladder)trans-111.2130.8178.5-65.6-90.2000110.4V37 E38 D39 H45 I134 E136V37-Y139 HydrophobicContact CG1-CD1 4.04Å; V37-Y139 HydrophobicContact CG1-CG 4.34Å; E38-Y139 WeakPolarHBondContact O-CA 3.48Å; D39-Y139 HydrophobicContact CB-CD1 4.08Å; D39-Y139 HydrophobicContact CB-CE1 3.83Å; H45-Y139 HydrophobicContact CB-CE1 3.84Å; H45-Y139 AromaticContact CE1-CE1 3.99Å; H45-Y139 AromaticContact CG-CE1 3.75Å; H45-Y139 AromaticContact ND1-CD1 3.64Å; H45-Y139 AromaticContact ND1-CE1 3.09Å; H45-Y139 WeakPolarHBondContact ND1-CE1 3.16Å; I134-Y139 HydrophobicContact CB-CD2 4.31Å; I134-Y139 HydrophobicContact CB-CE2 4.32Å; I134-Y139 HydrophobicContact CD1-CD1 4.38Å; I134-Y139 HydrophobicContact CD1-CD2 3.87Å; I134-Y139 HydrophobicContact CD1-CG 3.74Å; I134-Y139 HydrophobicContact CG1-CD2 4.05Å; I134-Y139 HydrophobicContact CG1-CE2 4.25Å; I134-Y139 HydrophobicContact CG1-CG 4.2Å; I134-Y139 HydrophobicContact CG2-CD2 3.35Å; I134-Y139 HydrophobicContact CG2-CE2 3.33Å; I134-Y139 HydrophobicContact CG2-CG 4.31Å; E136-Y139 WeakPolarHBondContact O-CE2 3.4Å; E136-Y139 PolarHBondContact O-OH 3.04Å
140D90.9Very high89.3Confident103 Ų10365.4 Ų65.455%0.55134%0.335SS*.EExtended strand (participates in β ladder)trans-109.7139.6176.2-68.6-37.9000110V37 E38 T142V37-D140 WeakPolarHBondContact CA-O 3.35Å; E38-D140 PolarHBondContact N-O 3.02Å; E38-D140 PolarHBondContact O-N 3.26Å; D140-T142 HydrophobicContact CB-CG2 3.92Å; D140-T142 PolarHBondContact O-N 3.31Å
141Y92.4Very high89.6Confident65 Ų6565.4 Ų65.426%0.25534%0.335SS..  trans-84.6110.4166.3-65.4-93.3000108.2W36 V37 Y126 P127 N131 Y145W36-Y141 VanDerWaalsContact O-CA 3.31Å; W36-Y141 WeakPolarHBondContact O-CA 3.36Å; W36-Y141 VanDerWaalsContact O-CD1 3.32Å; W36-Y141 WeakPolarHBondContact O-CD1 3.5Å; V37-Y141 HydrophobicContact CG2-CD1 3.73Å; V37-Y141 HydrophobicContact CG2-CE1 3.46Å; V37-Y141 VanDerWaalsContact CG2-CE1 3.46Å; Y126-Y141 HydrophobicContact CD1-CE1 4.04Å; Y126-Y141 HydrophobicContact CE1-CE1 4.06Å; P127-Y141 WeakPolarHBondContact CA-OH 3.33Å; P127-Y141 HydrophobicContact CB-CD1 4.47Å; P127-Y141 HydrophobicContact CB-CE1 3.6Å; P127-Y141 HydrophobicContact CB-CE2 4.08Å; P127-Y141 VanDerWaalsContact CB-OH 3.3Å; P127-Y141 WeakPolarHBondContact CB-OH 3.08Å; P127-Y141 PolarHBondContact O-OH 2.68Å; N131-Y141 PolarHBondContact OD1-OH 3.29Å; Y141-Y145 HydrophobicContact CD1-CD1 4.04Å; Y141-Y145 HydrophobicContact CD1-CD2 4.22Å; Y141-Y145 HydrophobicContact CD1-CE1 4.08Å; Y141-Y145 HydrophobicContact CD1-CE2 4.31Å; Y141-Y145 HydrophobicContact CD1-CG 4.04Å; Y141-Y145 AromaticContact CG-CD1 3.99Å; Y141-Y145 HydrophobicContact CG-CD1 3.99Å; Y141-Y145 AromaticContact CG-CE1 4Å; Y141-Y145 HydrophobicContact CG-CE1 4Å; Y141-Y145 HydrophobicContact CG-CG 4.42Å
142T93.5Very high89.9Confident39 Ų3961.4 Ų61.424%0.23931%0.314CS..  trans-101.7-137.1-165.769.20000112.3G35 E38 D140 G146G35-T142 WeakPolarHBondContact CA-OG1 3.47Å; G35-T142 CarbonylContact O-C 3.31Å; G35-T142 VanDerWaalsContact O-C 3.31Å; G35-T142 PolarHBondContact O-OG1 3.37Å; E38-T142 HydrophobicContact CB-CG2 4.05Å; E38-T142 VanDerWaalsContact CD-OG1 3.29Å; E38-T142 HydrophobicContact CG-CG2 4.42Å; E38-T142 WeakPolarHBondContact OE2-CG2 3.12Å; E38-T142 PolarHBondContact OE2-OG1 3.4Å; D140-T142 HydrophobicContact CB-CG2 3.92Å; D140-T142 PolarHBondContact O-N 3.31Å; T142-G146 PolarHBondContact O-N 3.18Å
143W94.8Very high90.3Very high115 Ų11561.3 Ų61.344%0.43631%0.312SS..Hα-helixtrans-71-43-16060.7-87.3000113.2I28 A32 S34 G35 G146 F147I28-W143 HydrophobicContact CG2-CE3 4.29Å; I28-W143 HydrophobicContact CG2-CZ3 3.67Å; A32-W143 HydrophobicContact CB-CH2 3.49Å; A32-W143 VanDerWaalsContact CB-CH2 3.49Å; A32-W143 HydrophobicContact CB-CZ2 4.2Å; A32-W143 HydrophobicContact CB-CZ3 4Å; S34-W143 WeakPolarHBondContact O-CZ2 3.41Å; G35-W143 PolarHBondContact O-N 2.79Å; W143-G146 CarbonylContact O-C 3.6Å; W143-G146 PolarHBondContact O-N 2.97Å; W143-F147 AromaticContact CE3-CD2 3.9Å; W143-F147 HydrophobicContact CE3-CD2 3.9Å; W143-F147 AromaticContact CE3-CE2 3.98Å; W143-F147 HydrophobicContact CE3-CE2 3.98Å; W143-F147 WeakPolarHBondContact O-CD2 3.4Å; W143-F147 PolarHBondContact O-N 3.3Å
144A95.9Very high90.8Very high0 Ų061.6 Ų61.60%031%0.314CS..Hα-helixtrans-70.9-39.4-176.500000111.5A29 A32 G35 W36 G146 F147 G148A29-A144 WeakPolarHBondContact CB-O 3.29Å; A32-A144 HydrophobicContact CB-CB 3.53Å; G35-A144 WeakPolarHBondContact O-CA 3.19Å; G35-A144 WeakPolarHBondContact O-CB 3.36Å; G35-A144 PolarHBondContact O-N 3.49Å; W36-A144 HydrophobicContact CG-CB 4.48Å; A144-G146 VanDerWaalsContact C-N 3.33Å; A144-F147 PolarHBondContact O-N 2.92Å; A144-G148 PolarHBondContact O-N 3.41Å; A144-G148 VanDerWaalsContact O-N 3.17Å
145Y96.4Very high91.4Very high30 Ų3059.8 Ų59.812%0.11831%0.305CS..Hα-helixtrans-63.7-40.8171-179.3-106.9000111.7G35 W36 L123 Y141 F147 G148 W149G35-Y145 PolarHBondContact O-N 3.05Å; W36-Y145 AromaticContact CE3-CD2 3.74Å; W36-Y145 HydrophobicContact CE3-CD2 3.74Å; W36-Y145 AromaticContact CZ3-CD2 3.86Å; W36-Y145 HydrophobicContact CZ3-CD2 3.86Å; W36-Y145 HydrophobicContact CZ3-CE2 4.43Å; L123-Y145 HydrophobicContact CB-CE2 4.49Å; L123-Y145 HydrophobicContact CD2-CD2 4.02Å; L123-Y145 HydrophobicContact CD2-CE2 3.89Å; L123-Y145 PolarHBondContact O-OH 3.33Å; L123-Y145 VanDerWaalsContact O-OH 3.06Å; Y141-Y145 HydrophobicContact CD1-CD1 4.04Å; Y141-Y145 HydrophobicContact CD1-CD2 4.22Å; Y141-Y145 HydrophobicContact CD1-CE1 4.08Å; Y141-Y145 HydrophobicContact CD1-CE2 4.31Å; Y141-Y145 HydrophobicContact CD1-CG 4.04Å; Y141-Y145 AromaticContact CG-CD1 3.99Å; Y141-Y145 HydrophobicContact CG-CD1 3.99Å; Y141-Y145 AromaticContact CG-CE1 4Å; Y141-Y145 HydrophobicContact CG-CE1 4Å; Y141-Y145 HydrophobicContact CG-CG 4.42Å; Y145-F147 VanDerWaalsContact C-N 3.31Å; Y145-F147 PolarHBondContact O-N 3.16Å; Y145-G148 PolarHBondContact O-N 3.39Å; Y145-G148 VanDerWaalsContact O-N 3.15Å; Y145-W149 AromaticContact CD1-CD1 3.72Å; Y145-W149 AromaticContact CD1-NE1 3.95Å; Y145-W149 AromaticContact CE1-CD1 3.39Å; Y145-W149 AromaticContact CE1-NE1 3.16Å; Y145-W149 AromaticContact CE2-NE1 3.58Å; Y145-W149 AromaticContact CZ-CD1 3.6Å; Y145-W149 AromaticContact CZ-NE1 2.95Å; Y145-W149 PolarHBondContact O-N 3.45Å; Y145-W149 VanDerWaalsContact O-N 3.12Å; Y145-W149 PolarHBondContact OH-NE1 3.33Å
146G96.9Very high92.8Very high37 Ų3754.8 Ų54.838%0.38129%0.285SS..Hα-helixtrans-58.1-39.4172.200000113.2T142 W143 A144 W149 G150T142-G146 PolarHBondContact O-N 3.18Å; W143-G146 CarbonylContact O-C 3.6Å; W143-G146 PolarHBondContact O-N 2.97Å; A144-G146 VanDerWaalsContact C-N 3.33Å; G146-W149 PolarHBondContact O-N 3.06Å; G146-G150 PolarHBondContact O-N 3.39Å
147F97.8Very high94.1Very high64 Ų6448 Ų4828%0.28126%0.262SS..Hα-helixtrans-64-38.8173.9-83.1-67.5000112.6F25 I28 A29 W143 A144 Y145 G150 A151F25-F147 HydrophobicContact CB-CB 4.44Å; F25-F147 HydrophobicContact CB-CD1 3.96Å; F25-F147 AromaticContact CD1-CD1 3.52Å; F25-F147 HydrophobicContact CD1-CD1 3.52Å; F25-F147 AromaticContact CD1-CE1 3.61Å; F25-F147 HydrophobicContact CD1-CE1 3.61Å; F25-F147 HydrophobicContact CD2-CD1 4.05Å; F25-F147 AromaticContact CE1-CD1 3.95Å; F25-F147 HydrophobicContact CE1-CD1 3.95Å; F25-F147 AromaticContact CE1-CE1 3.59Å; F25-F147 HydrophobicContact CE1-CE1 3.59Å; F25-F147 HydrophobicContact CE2-CD1 4.43Å; F25-F147 AromaticContact CG-CD1 3.58Å; F25-F147 HydrophobicContact CG-CD1 3.58Å; F25-F147 HydrophobicContact CG-CE1 4.12Å; F25-F147 HydrophobicContact CZ-CD1 4.38Å; F25-F147 HydrophobicContact CZ-CE1 4.08Å; I28-F147 HydrophobicContact CB-CG 4.43Å; I28-F147 HydrophobicContact CD1-CE1 4.32Å; I28-F147 HydrophobicContact CD1-CZ 4.43Å; I28-F147 HydrophobicContact CG2-CB 4.37Å; I28-F147 HydrophobicContact CG2-CD2 3.6Å; I28-F147 HydrophobicContact CG2-CE2 4Å; I28-F147 HydrophobicContact CG2-CG 3.97Å; A29-F147 HydrophobicContact CB-CB 4.33Å; W143-F147 AromaticContact CE3-CD2 3.9Å; W143-F147 HydrophobicContact CE3-CD2 3.9Å; W143-F147 AromaticContact CE3-CE2 3.98Å; W143-F147 HydrophobicContact CE3-CE2 3.98Å; W143-F147 WeakPolarHBondContact O-CD2 3.4Å; W143-F147 PolarHBondContact O-N 3.3Å; A144-F147 PolarHBondContact O-N 2.92Å; Y145-F147 VanDerWaalsContact C-N 3.31Å; Y145-F147 PolarHBondContact O-N 3.16Å; F147-G150 PolarHBondContact O-N 2.92Å; F147-A151 WeakPolarHBondContact O-CB 3.48Å; F147-A151 PolarHBondContact O-N 3.21Å
148G97.3Very high95.2Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-61.8-44.3174.600000112.7A144 Y145 T152A144-G148 PolarHBondContact O-N 3.41Å; A144-G148 VanDerWaalsContact O-N 3.17Å; Y145-G148 PolarHBondContact O-N 3.39Å; Y145-G148 VanDerWaalsContact O-N 3.15Å; G148-T152 PolarHBondContact O-N 2.77Å; G148-T152 VanDerWaalsContact O-N 3.07Å; G148-T152 PolarHBondContact O-OG1 3.25Å
149W98.1Very high96Very high58 Ų5839 Ų3922%0.2221%0.205CC..Hα-helixtrans-64.2-42172.1-82.1105.9000112.6F120 L123 I124 Y145 G146 A151 T152 I153F120-W149 AromaticContact CD2-CH2 3.71Å; F120-W149 HydrophobicContact CD2-CH2 3.71Å; F120-W149 AromaticContact CD2-CZ3 3.58Å; F120-W149 HydrophobicContact CD2-CZ3 3.58Å; F120-W149 AromaticContact CE2-CH2 3.54Å; F120-W149 HydrophobicContact CE2-CH2 3.54Å; F120-W149 AromaticContact CE2-CZ3 3.59Å; F120-W149 HydrophobicContact CE2-CZ3 3.59Å; F120-W149 HydrophobicContact CZ-CH2 4.26Å; L123-W149 HydrophobicContact CB-CD2 4.48Å; L123-W149 HydrophobicContact CB-CH2 4.24Å; L123-W149 HydrophobicContact CB-CZ2 3.7Å; L123-W149 HydrophobicContact CD1-CD2 3.8Å; L123-W149 HydrophobicContact CD1-CE3 4.03Å; L123-W149 HydrophobicContact CD1-CG 4.09Å; L123-W149 HydrophobicContact CD1-CZ2 4.42Å; L123-W149 HydrophobicContact CD1-CZ3 4.44Å; I124-W149 HydrophobicContact CD1-CH2 3.95Å; I124-W149 HydrophobicContact CD1-CZ2 3.92Å; I124-W149 HydrophobicContact CG1-CH2 4.38Å; Y145-W149 AromaticContact CD1-CD1 3.72Å; Y145-W149 AromaticContact CD1-NE1 3.95Å; Y145-W149 AromaticContact CE1-CD1 3.39Å; Y145-W149 AromaticContact CE1-NE1 3.16Å; Y145-W149 AromaticContact CE2-NE1 3.58Å; Y145-W149 AromaticContact CZ-CD1 3.6Å; Y145-W149 AromaticContact CZ-NE1 2.95Å; Y145-W149 PolarHBondContact O-N 3.45Å; Y145-W149 VanDerWaalsContact O-N 3.12Å; Y145-W149 PolarHBondContact OH-NE1 3.33Å; G146-W149 PolarHBondContact O-N 3.06Å; W149-A151 PolarHBondContact O-N 3.39Å; W149-T152 PolarHBondContact O-N 3.17Å; W149-I153 VanDerWaalsContact O-CG1 3.31Å; W149-I153 WeakPolarHBondContact O-CG1 3.31Å; W149-I153 PolarHBondContact O-N 3.48Å
150G97.8Very high96.4Very high25 Ų2541.1 Ų41.126%0.25822%0.219SC..Hα-helixtrans-59.4-45.5177.400000112.3G146 F147 L154G146-G150 PolarHBondContact O-N 3.39Å; F147-G150 PolarHBondContact O-N 2.92Å; G150-L154 VanDerWaalsContact O-CB 3.29Å; G150-L154 WeakPolarHBondContact O-CB 3.35Å; G150-L154 PolarHBondContact O-N 2.81Å
151A98Very high96.5Very high0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-60.5-46174.500000111.4A22 F25 D26 F147 W149 L154 T155A22-A151 HydrophobicContact CB-CB 4.48Å; F25-A151 HydrophobicContact CB-CB 3.81Å; D26-A151 HydrophobicContact CB-CB 4.38Å; D26-A151 WeakPolarHBondContact OD1-CB 3.36Å; F147-A151 WeakPolarHBondContact O-CB 3.48Å; F147-A151 PolarHBondContact O-N 3.21Å; W149-A151 PolarHBondContact O-N 3.39Å; A151-L154 PolarHBondContact O-N 3.12Å; A151-T155 WeakPolarHBondContact O-CB 3.37Å; A151-T155 PolarHBondContact O-N 3.15Å; A151-T155 PolarHBondContact O-OG1 3.46Å
152T97.8Very high96.6Very high1 Ų136.7 Ų36.71%0.00620%0.199CC..Hα-helixtrans-62.8-47-180-57.90000111.8V116 Q119 L123 G148 W149 L154 T155 I156V116-T152 HydrophobicContact CG1-CG2 4.21Å; Q119-T152 HydrophobicContact CB-CG2 4.49Å; L123-T152 WeakPolarHBondContact CD1-OG1 3.39Å; G148-T152 PolarHBondContact O-N 2.77Å; G148-T152 VanDerWaalsContact O-N 3.07Å; G148-T152 PolarHBondContact O-OG1 3.25Å; W149-T152 PolarHBondContact O-N 3.17Å; T152-L154 PolarHBondContact O-N 2.83Å; T152-T155 WeakPolarHBondContact O-CB 3.32Å; T152-T155 PolarHBondContact O-N 3.41Å; T152-I156 HydrophobicContact CG2-CD1 4.42Å; T152-I156 WeakPolarHBondContact O-CG1 3.41Å; T152-I156 PolarHBondContact O-N 3.23Å
153I98Very high96.5Very high108 Ų10837.3 Ų37.355%0.55420%0.204SC*.Hα-helixtrans-63.6-43178.8-68.8166.3000111.1W149 T155 I156 G157W149-I153 VanDerWaalsContact O-CG1 3.31Å; W149-I153 WeakPolarHBondContact O-CG1 3.31Å; W149-I153 PolarHBondContact O-N 3.48Å; I153-T155 VanDerWaalsContact C-N 3.28Å; I153-T155 PolarHBondContact O-N 2.95Å; I153-I156 WeakPolarHBondContact O-CB 3.07Å; I153-I156 PolarHBondContact O-N 2.88Å; I153-G157 PolarHBondContact O-N 2.89Å
154L97.6Very high96.3Very high36 Ų3634 Ų3419%0.18820%0.198CC..Hα-helixtrans-61.3-42175.8-170.9155.4000110.6L18 F21 A22 G150 A151 T152 G157 C158L18-L154 HydrophobicContact CB-CD2 4.07Å; L18-L154 HydrophobicContact CD2-CD1 4.38Å; L18-L154 WeakPolarHBondContact O-CD2 3.17Å; F21-L154 HydrophobicContact CB-CD1 4.11Å; A22-L154 HydrophobicContact CB-CB 4.4Å; A22-L154 HydrophobicContact CB-CD2 3.54Å; A22-L154 HydrophobicContact CB-CG 4.39Å; G150-L154 VanDerWaalsContact O-CB 3.29Å; G150-L154 WeakPolarHBondContact O-CB 3.35Å; G150-L154 PolarHBondContact O-N 2.81Å; A151-L154 PolarHBondContact O-N 3.12Å; T152-L154 PolarHBondContact O-N 2.83Å; L154-G157 PolarHBondContact O-N 2.98Å; L154-C158 VanDerWaalsContact CD2-SG 3.59Å; L154-C158 PolarHBondContact O-N 3.23Å; L154-C158 PolarHBondContact O-SG 3.24Å
155T98.1Very high95.9Very high0 Ų035.1 Ų35.10%020%0.204CC..Hα-helixtrans-63.9-39.4178.5-580000111.6L85 L112 T115 V116 A151 T152 I153 C158 G159L85-T155 HydrophobicContact CD1-CG2 4.09Å; L112-T155 HydrophobicContact CB-CG2 4Å; L112-T155 HydrophobicContact CD2-CG2 3.96Å; T115-T155 HydrophobicContact CG2-CG2 4.18Å; V116-T155 HydrophobicContact CG2-CG2 3.7Å; A151-T155 WeakPolarHBondContact O-CB 3.37Å; A151-T155 PolarHBondContact O-N 3.15Å; A151-T155 PolarHBondContact O-OG1 3.46Å; T152-T155 WeakPolarHBondContact O-CB 3.32Å; T152-T155 PolarHBondContact O-N 3.41Å; I153-T155 VanDerWaalsContact C-N 3.28Å; I153-T155 PolarHBondContact O-N 2.95Å; T155-C158 PolarHBondContact O-N 2.88Å; T155-G159 PolarHBondContact O-N 3.12Å
156I97.9Very high95.5Very high60 Ų6035.3 Ų35.331%0.30821%0.209SC..Hα-helixtrans-58-50.6171.2-67.8167.4000110.6V116 T152 I153 C158 G159 I160V116-I156 HydrophobicContact CB-CG1 4.17Å; V116-I156 HydrophobicContact CG1-CD1 3.85Å; V116-I156 HydrophobicContact CG1-CG1 3.51Å; V116-I156 HydrophobicContact CG2-CB 4.43Å; V116-I156 HydrophobicContact CG2-CG1 3.52Å; T152-I156 HydrophobicContact CG2-CD1 4.42Å; T152-I156 WeakPolarHBondContact O-CG1 3.41Å; T152-I156 PolarHBondContact O-N 3.23Å; I153-I156 WeakPolarHBondContact O-CB 3.07Å; I153-I156 PolarHBondContact O-N 2.88Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 3.11Å; I156-G159 PolarHBondContact O-N 3.25Å; I156-I160 HydrophobicContact CG2-CD1 4.08Å; I156-I160 WeakPolarHBondContact O-CG1 3.34Å; I156-I160 PolarHBondContact O-N 3.25Å
157G96.8Very high95Very high32 Ų3243.4 Ų43.433%0.3323%0.228SC..Hα-helixtrans-57.4-45.7178.700000111.8I153 L154 I160 L161I153-G157 PolarHBondContact O-N 2.89Å; L154-G157 PolarHBondContact O-N 2.98Å; G157-I160 PolarHBondContact O-N 2.97Å; G157-L161 VanDerWaalsContact O-CG 3.3Å; G157-L161 WeakPolarHBondContact O-CG 3.34Å; G157-L161 PolarHBondContact O-N 3.42Å
158C96.4Very high94.3Very high2 Ų246.3 Ų46.31%0.01424%0.238CC..Hα-helixtrans-63.9-42.5176-66.90000112.2V15 L19 L112 L154 T155 I156 I160 L161 F162V15-C158 HydrophobicContact CG1-CB 4.35Å; L19-C158 HydrophobicContact CD2-CB 3.62Å; L19-C158 HydrophobicContact CG-CB 4.3Å; L112-C158 HydrophobicContact CD1-CB 3.9Å; L154-C158 VanDerWaalsContact CD2-SG 3.59Å; L154-C158 PolarHBondContact O-N 3.23Å; L154-C158 PolarHBondContact O-SG 3.24Å; T155-C158 PolarHBondContact O-N 2.88Å; I156-C158 VanDerWaalsContact C-N 3.32Å; I156-C158 PolarHBondContact O-N 3.11Å; C158-I160 VanDerWaalsContact C-N 3.34Å; C158-I160 PolarHBondContact O-N 3.27Å; C158-L161 WeakPolarHBondContact O-CB 3.32Å; C158-L161 PolarHBondContact O-N 3.05Å; C158-L161 VanDerWaalsContact O-N 3.14Å; C158-F162 HydrophobicContact CB-CD2 4.38Å; C158-F162 HydrophobicContact CB-CE2 4.43Å; C158-F162 WeakPolarHBondContact O-CD2 3.07Å; C158-F162 PolarHBondContact O-N 3.16Å
159G96.4Very high93.6Very high0 Ų051 Ų510%026%0.26CS..Hα-helixtrans-57.1-45.9177.500000112.4T155 I156 F162 C163T155-G159 PolarHBondContact O-N 3.12Å; I156-G159 PolarHBondContact O-N 3.25Å; G159-F162 PolarHBondContact O-N 3.35Å; G159-C163 PolarHBondContact O-N 3.28Å; G159-C163 VanDerWaalsContact O-N 3.13Å; G159-C163 PolarHBondContact O-SG 3.26Å; G159-C163 VanDerWaalsContact O-SG 3.4Å
160I95.6Very high92.7Very high88 Ų8853.2 Ų53.245%0.45128%0.276SS..Hα-helixtrans-62-45.4175.1-64.7168.5000110.7F113 I156 G157 C158 C163 C164F113-I160 HydrophobicContact CZ-CG1 4.02Å; I156-I160 HydrophobicContact CG2-CD1 4.08Å; I156-I160 WeakPolarHBondContact O-CG1 3.34Å; I156-I160 PolarHBondContact O-N 3.25Å; G157-I160 PolarHBondContact O-N 2.97Å; C158-I160 VanDerWaalsContact C-N 3.34Å; C158-I160 PolarHBondContact O-N 3.27Å; I160-C163 PolarHBondContact O-N 2.99Å; I160-C164 WeakPolarHBondContact O-CB 3.34Å; I160-C164 PolarHBondContact O-N 2.89Å; I160-C164 PolarHBondContact O-SG 2.86Å
161L93.4Very high91.7Very high76 Ų7653.4 Ų53.440%0.39827%0.27SS..Hα-helixtrans-59.8-52.3178.4-70.8172.1000110.8V15 G157 C158 C163 C164 L165V15-L161 HydrophobicContact CG1-CB 4.46Å; V15-L161 HydrophobicContact CG2-CD1 4.41Å; G157-L161 VanDerWaalsContact O-CG 3.3Å; G157-L161 WeakPolarHBondContact O-CG 3.34Å; G157-L161 PolarHBondContact O-N 3.42Å; C158-L161 WeakPolarHBondContact O-CB 3.32Å; C158-L161 PolarHBondContact O-N 3.05Å; C158-L161 VanDerWaalsContact O-N 3.14Å; L161-C163 VanDerWaalsContact C-N 3.26Å; L161-C163 PolarHBondContact O-N 3.48Å; L161-C164 CarbonylContact O-C 3.41Å; L161-C164 PolarHBondContact O-N 2.78Å; L161-L165 HydrophobicContact CB-CD1 3.9Å; L161-L165 WeakPolarHBondContact O-CD1 3.33Å; L161-L165 PolarHBondContact O-N 2.93Å
162F93.4Very high90.7Very high0 Ų053.9 Ų53.90%027%0.273CS..Hα-helixtrans-57.8-35.7180-84.7-69.7000113.4V15 L19 L96 L105 I108 L112 C158 G159 P166V15-F162 HydrophobicContact CB-CE2 4.26Å; V15-F162 HydrophobicContact CB-CZ 4.09Å; V15-F162 HydrophobicContact CG1-CD2 3.82Å; V15-F162 HydrophobicContact CG1-CE1 4.38Å; V15-F162 HydrophobicContact CG1-CE2 3.23Å; V15-F162 HydrophobicContact CG1-CZ 3.54Å; L19-F162 HydrophobicContact CD1-CE2 3.62Å; L19-F162 HydrophobicContact CD1-CZ 4.03Å; L19-F162 HydrophobicContact CG-CE2 4.17Å; L96-F162 HydrophobicContact CD1-CE1 3.64Å; L96-F162 HydrophobicContact CD1-CZ 4.1Å; L105-F162 CarbonylContact C-O 3.58Å; L105-F162 HydrophobicContact CB-CD1 4.32Å; L105-F162 WeakPolarHBondContact CB-O 3.31Å; L105-F162 HydrophobicContact CD2-CD1 3.63Å; L105-F162 HydrophobicContact CD2-CE1 3.79Å; I108-F162 HydrophobicContact CB-CD1 4.08Å; I108-F162 HydrophobicContact CB-CE1 4.46Å; I108-F162 HydrophobicContact CB-CG 4.23Å; I108-F162 HydrophobicContact CD1-CD1 4.16Å; I108-F162 HydrophobicContact CD1-CE1 4Å; I108-F162 HydrophobicContact CG2-CD1 3.86Å; I108-F162 HydrophobicContact CG2-CD2 3.79Å; I108-F162 HydrophobicContact CG2-CE1 3.97Å; I108-F162 HydrophobicContact CG2-CE2 3.9Å; I108-F162 HydrophobicContact CG2-CG 3.79Å; I108-F162 HydrophobicContact CG2-CZ 4.02Å; L112-F162 HydrophobicContact CD1-CD2 3.45Å; L112-F162 VanDerWaalsContact CD1-CD2 3.45Å; L112-F162 HydrophobicContact CD1-CE2 3.93Å; L112-F162 HydrophobicContact CD1-CG 4.42Å; C158-F162 HydrophobicContact CB-CD2 4.38Å; C158-F162 HydrophobicContact CB-CE2 4.43Å; C158-F162 WeakPolarHBondContact O-CD2 3.07Å; C158-F162 PolarHBondContact O-N 3.16Å; G159-F162 PolarHBondContact O-N 3.35Å; F162-P166 VanDerWaalsContact O-CD 3.3Å; F162-P166 WeakPolarHBondContact O-CD 3.09Å
163C92.8Very high89.6Confident52 Ų5256.1 Ų56.135%0.35129%0.286SS..Hα-helixtrans-71.6-30174.1-71.30000113.6G159 I160 L161G159-C163 PolarHBondContact O-N 3.28Å; G159-C163 VanDerWaalsContact O-N 3.13Å; G159-C163 PolarHBondContact O-SG 3.26Å; G159-C163 VanDerWaalsContact O-SG 3.4Å; I160-C163 PolarHBondContact O-N 2.99Å; L161-C163 VanDerWaalsContact C-N 3.26Å; L161-C163 PolarHBondContact O-N 3.48Å
164C89.8Confident88.4Confident44 Ų4453.2 Ų53.230%0.29728%0.283SS..Hα-helixtrans-90.7-28-177.5-70.80000113.6I160 L161 P166 R167 Y168I160-C164 WeakPolarHBondContact O-CB 3.34Å; I160-C164 PolarHBondContact O-N 2.89Å; I160-C164 PolarHBondContact O-SG 2.86Å; L161-C164 CarbonylContact O-C 3.41Å; L161-C164 PolarHBondContact O-N 2.78Å; C164-P166 VanDerWaalsContact C-N 3.32Å; C164-R167 WeakPolarHBondContact O-CB 3.49Å; C164-R167 PolarHBondContact O-N 3.48Å; C164-Y168 WeakPolarHBondContact O-CD2 3.43Å
165L88.2Confident87.1Confident25 Ų2558.2 Ų58.213%0.13131%0.309CS..G310 helixtrans-53.1-37.9-178.2-100.294.8000114.3V15 L96 L105 L161 R167 Y168 L172V15-L165 HydrophobicContact CG2-CD1 4.32Å; L96-L165 HydrophobicContact CD2-CD2 4.2Å; L105-L165 HydrophobicContact CD1-CB 3.88Å; L105-L165 HydrophobicContact CD1-CD2 4.42Å; L161-L165 HydrophobicContact CB-CD1 3.9Å; L161-L165 WeakPolarHBondContact O-CD1 3.33Å; L161-L165 PolarHBondContact O-N 2.93Å; L165-R167 PolarHBondContact O-N 3.05Å; L165-R167 VanDerWaalsContact O-N 3.12Å; L165-Y168 PolarHBondContact O-N 2.76Å; L165-L172 HydrophobicContact CB-CD1 4.23Å; L165-L172 HydrophobicContact CD2-CD1 4Å; L165-L172 HydrophobicContact CD2-CD2 4.04Å; L165-L172 HydrophobicContact CG-CD1 4.37Å; L165-L172 WeakPolarHBondContact O-CD1 3.29Å
166P87.7Confident85.7Confident33 Ų3360.1 Ų60.121%0.21433%0.325CS..G310 helixtrans-56.2-26.8176.3-29.236.2000114.8I102 L105 P106 F162 C164 Y168 E169I102-P166 HydrophobicContact CG2-CB 3.77Å; I102-P166 HydrophobicContact CG2-CG 4.12Å; L105-P166 HydrophobicContact CB-CG 4Å; L105-P166 HydrophobicContact CD1-CG 4.29Å; P106-P166 HydrophobicContact CG-CG 3.92Å; F162-P166 VanDerWaalsContact O-CD 3.3Å; F162-P166 WeakPolarHBondContact O-CD 3.09Å; C164-P166 VanDerWaalsContact C-N 3.32Å; P166-Y168 PolarHBondContact O-N 3.04Å; P166-E169 PolarHBondContact O-N 3.31Å
167R86.7Confident84Confident207 Ų20766.7 Ų66.778%0.78135%0.351SS*.G310 helixtrans-68.9-14.7176.4-62.6-179.1176.3173.3-0.8113.2C164 L165C164-R167 WeakPolarHBondContact O-CB 3.49Å; C164-R167 PolarHBondContact O-N 3.48Å; L165-R167 PolarHBondContact O-N 3.05Å; L165-R167 VanDerWaalsContact O-N 3.12Å
168Y82.8Confident82.3Confident126 Ų12668.9 Ų68.949%0.49436%0.358SS..G310 helixtrans-111.827.4-177.7-56.4-75.7000111.3C164 L165 P166 D170 E171 L172C164-Y168 WeakPolarHBondContact O-CD2 3.43Å; L165-Y168 PolarHBondContact O-N 2.76Å; P166-Y168 PolarHBondContact O-N 3.04Å; Y168-D170 PolarHBondContact O-N 2.91Å; Y168-E171 WeakPolarHBondContact CD1-OE2 3.17Å; Y168-E171 PolarHBondContact O-N 2.88Å; Y168-E171 VanDerWaalsContact O-N 3.09Å; Y168-L172 WeakPolarHBondContact O-CG 3.41Å; Y168-L172 PolarHBondContact O-N 3.12Å
169E82.4Confident80.6Confident99 Ų9976 Ų7646%0.46339%0.389SS..Hα-helixtrans-53.6-45.3-177.8177.5169.2-162.600113.4I102 P166 E171 L172 T173I102-E169 HydrophobicContact CG1-CG 4.21Å; P166-E169 PolarHBondContact O-N 3.31Å; E169-E171 PolarHBondContact O-N 3.2Å; E169-L172 PolarHBondContact O-N 2.04Å; E169-T173 HydrophobicContact CG-CG2 4.18Å; E169-T173 WeakPolarHBondContact O-CB 3.49Å; E169-T173 VanDerWaalsContact O-CG2 3.32Å; E169-T173 WeakPolarHBondContact O-CG2 3.34Å; E169-T173 PolarHBondContact O-N 3.47Å; E169-T173 PolarHBondContact O-OG1 3.19Å
170D78.4Confident78.8Confident104 Ų10481 Ų8156%0.55641%0.409SS*.Hα-helixtrans-61.6-34.6179-67-28.4000112.4Y168 T173 G174 L175 A176Y168-D170 PolarHBondContact O-N 2.91Å; D170-T173 WeakPolarHBondContact CA-OG1 3.49Å; D170-T173 PolarHBondContact O-OG1 3.3Å; D170-G174 PolarHBondContact O-N 2.86Å; D170-L175 PolarHBondContact O-N 2.98Å; D170-A176 HydrophobicContact CB-CB 4.19Å; D170-A176 PolarHBondContact O-N 2.82Å
171E78.2Confident77.1Confident28 Ų2884.1 Ų84.113%0.13143%0.425CS..Hα-helixtrans-77.8-37.9179.1-62.5171.5160.800110.5Y8 Y168 E169 G174 A176 K179Y8-E171 VanDerWaalsContact CB-O 3.3Å; Y8-E171 WeakPolarHBondContact CB-O 3.42Å; Y8-E171 HydrophobicContact CD1-CB 4.45Å; Y8-E171 HydrophobicContact CD2-CB 4.19Å; Y8-E171 HydrophobicContact CG-CB 4.15Å; Y168-E171 WeakPolarHBondContact CD1-OE2 3.17Å; Y168-E171 PolarHBondContact O-N 2.88Å; Y168-E171 VanDerWaalsContact O-N 3.09Å; E169-E171 PolarHBondContact O-N 3.2Å; E171-G174 PolarHBondContact O-N 2.57Å; E171-A176 HydrophobicContact CB-CB 4.36Å; E171-A176 HydrophobicContact CG-CB 3.71Å; E171-K179 IonicContact OE1-NZ 3.78Å; E171-K179 PolarHBondContact OE1-NZ 2.81Å
172L75.6Confident75.6Confident11 Ų1189.3 Ų89.36%0.05844%0.44CS..Hα-helixtrans-67.5-41.3176.1-71.8168.4000112.2R12 I102 L165 Y168 E169 G174R12-L172 PolarHBondContact NE-O 2.84Å; R12-L172 PolarHBondContact NH2-O 3.09Å; I102-L172 HydrophobicContact CD1-CB 4.48Å; I102-L172 HydrophobicContact CD1-CD1 3.9Å; L165-L172 HydrophobicContact CB-CD1 4.23Å; L165-L172 HydrophobicContact CD2-CD1 4Å; L165-L172 HydrophobicContact CD2-CD2 4.04Å; L165-L172 HydrophobicContact CG-CD1 4.37Å; L165-L172 WeakPolarHBondContact O-CD1 3.29Å; Y168-L172 WeakPolarHBondContact O-CG 3.41Å; Y168-L172 PolarHBondContact O-N 3.12Å; E169-L172 PolarHBondContact O-N 2.04Å; L172-G174 VanDerWaalsContact C-N 3.28Å
173T75.8Confident73.8Confident48 Ų4895.4 Ų95.429%0.29448%0.477SS..Hα-helixtrans-75-17.5177.554.10000112.7L100 E169 D170 L175L100-T173 HydrophobicContact CD2-CG2 3.76Å; E169-T173 HydrophobicContact CG-CG2 4.18Å; E169-T173 WeakPolarHBondContact O-CB 3.49Å; E169-T173 VanDerWaalsContact O-CG2 3.32Å; E169-T173 WeakPolarHBondContact O-CG2 3.34Å; E169-T173 PolarHBondContact O-N 3.47Å; E169-T173 PolarHBondContact O-OG1 3.19Å; D170-T173 WeakPolarHBondContact CA-OG1 3.49Å; D170-T173 PolarHBondContact O-OG1 3.3Å; T173-L175 VanDerWaalsContact C-N 3.33Å
174G72.1Confident72.2Confident47 Ų4798.5 Ų98.549%0.48550%0.5SS..THydrogen-bonded Turntrans80.612.9-177.600000113.7D170 E171 L172 A176D170-G174 PolarHBondContact O-N 2.86Å; E171-G174 PolarHBondContact O-N 2.57Å; L172-G174 VanDerWaalsContact C-N 3.28Å; G174-A176 VanDerWaalsContact C-N 3.33Å
175L70.7Confident70.5Confident141 Ų141104.3 Ų104.374%0.73855%0.551SS**  trans-75.3-25173.5-65.8173.5000111.8D170 T173D170-L175 PolarHBondContact O-N 2.98Å; T173-L175 VanDerWaalsContact C-N 3.33Å
176A69.1Low69.6Low40 Ų40108.3 Ų108.333%0.33157%0.572SS.*SBendtrans-70.1135.9174.600000111.9D170 E171 G174 T178D170-A176 HydrophobicContact CB-CB 4.19Å; D170-A176 PolarHBondContact O-N 2.82Å; E171-A176 HydrophobicContact CB-CB 4.36Å; E171-A176 HydrophobicContact CG-CB 3.71Å; G174-A176 VanDerWaalsContact C-N 3.33Å; A176-T178 PolarHBondContact O-N 3.2Å
177K61Low68.7Low198 Ų198112.3 Ų112.386%0.86159%0.591SS**  trans-60.5137.3170.2-70.9-174-179.61800109.8K179K177-K179 PolarHBondContact O-N 2.71Å
178T62.1Low67.6Low77 Ų77107 Ų10747%0.47258%0.58SS.*  trans-54.6113.3174.9-0.80000110A176 Y180A176-T178 PolarHBondContact O-N 3.2Å; T178-Y180 WeakPolarHBondContact O-CD2 3.38Å; T178-Y180 VanDerWaalsContact O-CE2 3.32Å; T178-Y180 WeakPolarHBondContact O-CE2 3.28Å; T178-Y180 PolarHBondContact O-N 2.67Å
179K60.2Low66.8Low152 Ų152105.9 Ų105.966%0.66159%0.585SS**  trans-69.5112.9170.7-73.7172.9-179.3155.70107.7E171 K177E171-K179 IonicContact OE1-NZ 3.78Å; E171-K179 PolarHBondContact OE1-NZ 2.81Å; K177-K179 PolarHBondContact O-N 2.71Å
180Y59.6Low65.8Low106 Ų106106.3 Ų106.342%0.41659%0.593SS.*  trans-87.2130.3174.3-60.3-81.8000108.2T178 Y182T178-Y180 WeakPolarHBondContact O-CD2 3.38Å; T178-Y180 VanDerWaalsContact O-CE2 3.32Å; T178-Y180 WeakPolarHBondContact O-CE2 3.28Å; T178-Y180 PolarHBondContact O-N 2.67Å; Y180-Y182 VanDerWaalsContact CB-CE1 3.48Å; Y180-Y182 HydrophobicContact CD2-CE1 4.37Å; Y180-Y182 HydrophobicContact CG-CE1 4.33Å; Y180-Y182 VanDerWaalsContact O-CD2 3.23Å; Y180-Y182 WeakPolarHBondContact O-CD2 3.26Å; Y180-Y182 WeakPolarHBondContact O-CE2 3.27Å; Y180-Y182 PolarHBondContact O-N 3.04Å; Y180-Y182 VanDerWaalsContact O-N 3.14Å
181I60.4Low64.9Low153 Ų153106.5 Ų106.579%0.78560%0.596SS**  trans-77.898.7171.5-55.1175000106.3
182Y61.4Low64Low185 Ų185112.1 Ų112.173%0.72563%0.629SS**  trans-85.5116.8174.2-26.2-91.4000108.6Y180Y180-Y182 VanDerWaalsContact CB-CE1 3.48Å; Y180-Y182 HydrophobicContact CD2-CE1 4.37Å; Y180-Y182 HydrophobicContact CG-CE1 4.33Å; Y180-Y182 VanDerWaalsContact O-CD2 3.23Å; Y180-Y182 WeakPolarHBondContact O-CD2 3.26Å; Y180-Y182 WeakPolarHBondContact O-CE2 3.27Å; Y180-Y182 PolarHBondContact O-N 3.04Å; Y180-Y182 VanDerWaalsContact O-N 3.14Å
183T54.4Low63.1Low127 Ų127119.8 Ų119.878%0.77967%0.673SS**  trans-98.5106152.3-82.50000105.6A185T183-A185 PolarHBondContact O-N 3.34Å
184S59.5Low62.1Low117 Ų117125.8 Ų125.882%0.81870%0.704SS**  trans-78.4110.7161.351.10000107.2
185A54.2Low61.1Low167 Ų167133 Ų133100%1.3872%0.724SS**  trans-870159.100000108.7T183T183-A185 PolarHBondContact O-N 3.34Å

Retrieved 185 of 185 residues in 63 ms (Link to these results)

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