A0A077YV64_TRITR Loading...

Diphthamide biosynthesis protein 1

AlphaFold DB , UniProt , Accession A0A077YV64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 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
1M70Confident84.8Confident84 Ų8482.2 Ų82.241%0.41446%0.461SS..  0-44.80-59.5-15770.600112.5C3 M4 L5 S110 A113 T114 Y117M1-C3 PolarHBondContact O-N 3.28Å; M1-M4 WeakPolarHBondContact O-CB 3.44Å; M1-M4 PolarHBondContact O-N 3.37Å; M1-L5 PolarHBondContact O-N 3.28Å; M1-L5 VanDerWaalsContact O-N 3.14Å; M1-S110 VanDerWaalsContact CE-CB 3.47Å; M1-S110 WeakPolarHBondContact CE-O 3.41Å; M1-A113 HydrophobicContact CE-CB 3.99Å; M1-A113 HydrophobicContact SD-CB 4.37Å; M1-T114 WeakPolarHBondContact CE-OG1 3.46Å; M1-T114 PolarHBondContact SD-OG1 3.09Å; M1-Y117 HydrophobicContact SD-CD2 3.86Å; M1-Y117 HydrophobicContact SD-CE2 3.98Å
2I75.2Confident85.6Confident151 Ų15179.2 Ų79.277%0.77445%0.446SS*.Hα-helixtrans-51-43.1173-62.4170.3000111.9M4 L5 G6I2-M4 VanDerWaalsContact C-N 3.33Å; I2-M4 PolarHBondContact O-N 3.08Å; I2-L5 WeakPolarHBondContact O-CB 3.12Å; I2-L5 PolarHBondContact O-N 3.14Å; I2-G6 PolarHBondContact O-N 3.1Å
3C81.7Confident86.2Confident109 Ų10980 Ų8074%0.73645%0.447SS*.Hα-helixtrans-61.1-37.7176.9-50.80000113.4M1 G6 F7M1-C3 PolarHBondContact O-N 3.28Å; C3-G6 PolarHBondContact O-N 3.48Å; C3-F7 WeakPolarHBondContact O-CB 3.43Å; C3-F7 PolarHBondContact O-N 2.89Å
4M80.7Confident86.5Confident97 Ų9781.8 Ų81.848%0.47845%0.45SS..Hα-helixtrans-67.9-40.9177.6-68.3-67.4-86.900110.9M1 I2 F7 C8 V106M1-M4 WeakPolarHBondContact O-CB 3.44Å; M1-M4 PolarHBondContact O-N 3.37Å; I2-M4 VanDerWaalsContact C-N 3.33Å; I2-M4 PolarHBondContact O-N 3.08Å; M4-F7 PolarHBondContact O-N 2.91Å; M4-C8 PolarHBondContact O-N 3.27Å; M4-C8 PolarHBondContact O-SG 3.25Å; M4-V106 HydrophobicContact CE-CG1 4.36Å
5L83.4Confident86.8Confident66 Ų6676.7 Ų76.735%0.34642%0.422SS..Hα-helixtrans-61.5-45.1173.1-104.8148.3000111.5M1 I2 F7 C8 V9 A107M1-L5 PolarHBondContact O-N 3.28Å; M1-L5 VanDerWaalsContact O-N 3.14Å; I2-L5 WeakPolarHBondContact O-CB 3.12Å; I2-L5 PolarHBondContact O-N 3.14Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.42Å; L5-C8 WeakPolarHBondContact O-CB 3.37Å; L5-C8 PolarHBondContact O-N 3.4Å; L5-V9 WeakPolarHBondContact O-CG2 3.31Å; L5-V9 PolarHBondContact O-N 3.32Å; L5-A107 HydrophobicContact CD2-CB 4.41Å
6G87.8Confident87.2Confident38 Ų3877.3 Ų77.339%0.39242%0.424SS..Hα-helixtrans-57.9-45.4174.100000112.4I2 C3 C8 V9 V10I2-G6 PolarHBondContact O-N 3.1Å; C3-G6 PolarHBondContact O-N 3.48Å; G6-C8 PolarHBondContact O-N 2.7Å; G6-V9 PolarHBondContact O-N 3.43Å; G6-V10 WeakPolarHBondContact O-CG2 3.11Å; G6-V10 PolarHBondContact O-N 3.23Å; G6-V10 VanDerWaalsContact O-N 3.08Å
7F87.2Confident87.4Confident128 Ų12878.8 Ų78.856%0.56143%0.427SS*.Hα-helixtrans-61.3-41.9175.6-174.5-106.2000112.4C3 M4 L5 V10 N11C3-F7 WeakPolarHBondContact O-CB 3.43Å; C3-F7 PolarHBondContact O-N 2.89Å; M4-F7 PolarHBondContact O-N 2.91Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.42Å; F7-V10 PolarHBondContact O-N 2.96Å; F7-N11 WeakPolarHBondContact CD1-ND2 3.39Å; F7-N11 WeakPolarHBondContact CE1-ND2 3.43Å; F7-N11 WeakPolarHBondContact CZ-ND2 3.37Å; F7-N11 PolarHBondContact O-N 2.96Å; F7-N11 PolarHBondContact O-ND2 3.03Å
8C90Very high87.3Confident7 Ų776.1 Ų76.15%0.04741%0.412CS..Hα-helixtrans-61.3-43.6174.5-71.50000112.3M4 L5 G6 V10 N11 V12 C103 V106M4-C8 PolarHBondContact O-N 3.27Å; M4-C8 PolarHBondContact O-SG 3.25Å; L5-C8 WeakPolarHBondContact O-CB 3.37Å; L5-C8 PolarHBondContact O-N 3.4Å; G6-C8 PolarHBondContact O-N 2.7Å; C8-V10 PolarHBondContact O-N 3.19Å; C8-N11 PolarHBondContact O-N 2.94Å; C8-V12 WeakPolarHBondContact O-CB 3.46Å; C8-V12 VanDerWaalsContact O-CG2 3.27Å; C8-V12 WeakPolarHBondContact O-CG2 3.47Å; C8-V12 PolarHBondContact O-N 3.47Å; C8-C103 HydrophobicContact CB-CB 4.05Å; C8-V106 WeakPolarHBondContact SG-CG1 2.83Å
9V92.4Very high87.4Confident81 Ų8174.5 Ų74.549%0.49140%0.401SS..Hα-helixtrans-60.4-46.9177.9172.10000110.8L5 G6 N11 V12 I13L5-V9 WeakPolarHBondContact O-CG2 3.31Å; L5-V9 PolarHBondContact O-N 3.32Å; G6-V9 PolarHBondContact O-N 3.43Å; V9-N11 PolarHBondContact O-N 3.04Å; V9-V12 PolarHBondContact O-N 3.41Å; V9-I13 HydrophobicContact CG1-CD1 3.9Å; V9-I13 WeakPolarHBondContact O-CG1 3.45Å; V9-I13 PolarHBondContact O-N 3.41Å
10V93.2Very high87.3Confident94 Ų9477.2 Ų77.257%0.5741%0.414SS*.Hα-helixtrans-60.3-45.4178.2174.30000111.1G6 F7 C8 V12 I13 H14G6-V10 WeakPolarHBondContact O-CG2 3.11Å; G6-V10 PolarHBondContact O-N 3.23Å; G6-V10 VanDerWaalsContact O-N 3.08Å; F7-V10 PolarHBondContact O-N 2.96Å; C8-V10 PolarHBondContact O-N 3.19Å; V10-V12 PolarHBondContact O-N 3.06Å; V10-I13 PolarHBondContact O-N 3.36Å; V10-H14 PolarHBondContact O-N 3.42Å
11N91.2Very high87.2Confident49 Ų4978.7 Ų78.726%0.26242%0.418SS..Hα-helixtrans-66.7-35.6178.6-80-27.3000113.3F7 C8 V9 H14 S15F7-N11 WeakPolarHBondContact CD1-ND2 3.39Å; F7-N11 WeakPolarHBondContact CE1-ND2 3.43Å; F7-N11 WeakPolarHBondContact CZ-ND2 3.37Å; F7-N11 PolarHBondContact O-N 2.96Å; F7-N11 PolarHBondContact O-ND2 3.03Å; C8-N11 PolarHBondContact O-N 2.94Å; V9-N11 PolarHBondContact O-N 3.04Å; N11-H14 PolarHBondContact O-N 3.11Å; N11-S15 VanDerWaalsContact O-CB 3.29Å; N11-S15 WeakPolarHBondContact O-CB 3.5Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 3.22Å
12V94.1Very high87.4Confident46 Ų4679.6 Ų79.628%0.27942%0.417SS..Hα-helixtrans-63.9-45.5174.1168.10000110.2C8 V9 V10 H14 S15 L16 I100 C103C8-V12 WeakPolarHBondContact O-CB 3.46Å; C8-V12 VanDerWaalsContact O-CG2 3.27Å; C8-V12 WeakPolarHBondContact O-CG2 3.47Å; C8-V12 PolarHBondContact O-N 3.47Å; V9-V12 PolarHBondContact O-N 3.41Å; V10-V12 PolarHBondContact O-N 3.06Å; V12-H14 PolarHBondContact O-N 3.37Å; V12-S15 PolarHBondContact O-N 3.22Å; V12-L16 HydrophobicContact CG1-CD1 4.07Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 VanDerWaalsContact O-CG 3.32Å; V12-L16 WeakPolarHBondContact O-CG 3.29Å; V12-L16 PolarHBondContact O-N 2.99Å; V12-I100 HydrophobicContact CG2-CG1 4.5Å; V12-C103 HydrophobicContact CG2-CB 3.71Å
13I93.5Very high86.9Confident90 Ų9081.6 Ų81.646%0.46242%0.423SS..Hα-helixtrans-59.7-47.4176.7-67.2166.8000110.5V9 V10 S15 L16 Q17V9-I13 HydrophobicContact CG1-CD1 3.9Å; V9-I13 WeakPolarHBondContact O-CG1 3.45Å; V9-I13 PolarHBondContact O-N 3.41Å; V10-I13 PolarHBondContact O-N 3.36Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 2.9Å; I13-L16 PolarHBondContact O-N 3.41Å; I13-Q17 WeakPolarHBondContact O-CG 3.39Å; I13-Q17 PolarHBondContact O-N 3.39Å
14H90.3Very high86Confident105 Ų10581.9 Ų81.949%0.48641%0.413SS..Hα-helixtrans-62.3-38.8177.9-169.1-96.9000112.2V10 N11 V12 Q17 L18V10-H14 PolarHBondContact O-N 3.42Å; N11-H14 PolarHBondContact O-N 3.11Å; V12-H14 PolarHBondContact O-N 3.37Å; H14-Q17 WeakPolarHBondContact O-CB 3.32Å; H14-Q17 PolarHBondContact O-N 2.91Å; H14-L18 PolarHBondContact O-N 2.69Å
15S91.2Very high85Confident5 Ų578.8 Ų78.84%0.03540%0.397CS..Hα-helixtrans-66.6-38.7176.5-57.50000112.1N11 V12 I13 L18 F19 P96 A99N11-S15 VanDerWaalsContact O-CB 3.29Å; N11-S15 WeakPolarHBondContact O-CB 3.5Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 3.22Å; V12-S15 PolarHBondContact O-N 3.22Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 2.9Å; S15-L18 WeakPolarHBondContact O-CB 3.3Å; S15-L18 PolarHBondContact O-N 3.4Å; S15-F19 PolarHBondContact O-N 2.89Å; S15-F19 VanDerWaalsContact O-N 3.07Å; S15-P96 VanDerWaalsContact O-CB 3.23Å; S15-P96 WeakPolarHBondContact O-CB 3.43Å; S15-A99 VanDerWaalsContact OG-CB 3.3Å; S15-A99 WeakPolarHBondContact OG-CB 3.35Å
16L92.7Very high84.2Confident86 Ų8681.5 Ų81.545%0.4541%0.412SS..Hα-helixtrans-65.6-39.8173.1-69.9170.7000111.4V12 I13 L18 F19 I20 I100V12-L16 HydrophobicContact CG1-CD1 4.07Å; V12-L16 HydrophobicContact CG1-CG 4.46Å; V12-L16 VanDerWaalsContact O-CG 3.32Å; V12-L16 WeakPolarHBondContact O-CG 3.29Å; V12-L16 PolarHBondContact O-N 2.99Å; I13-L16 PolarHBondContact O-N 3.41Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 2.73Å; L16-F19 WeakPolarHBondContact O-CB 3.4Å; L16-F19 PolarHBondContact O-N 3.16Å; L16-I20 WeakPolarHBondContact O-CG1 3.24Å; L16-I20 PolarHBondContact O-N 3.39Å; L16-I20 VanDerWaalsContact O-N 3.16Å; L16-I100 HydrophobicContact CD2-CD1 4.25Å
17Q91Very high83.2Confident103 Ų10385 Ų8548%0.48142%0.42SS..Hα-helixtrans-61.7-40.2173.2-74.2177.4-3500111.8I13 H14 F19 I20 H21I13-Q17 WeakPolarHBondContact O-CG 3.39Å; I13-Q17 PolarHBondContact O-N 3.39Å; H14-Q17 WeakPolarHBondContact O-CB 3.32Å; H14-Q17 PolarHBondContact O-N 2.91Å; Q17-F19 VanDerWaalsContact C-N 3.31Å; Q17-F19 PolarHBondContact O-N 3.44Å; Q17-I20 PolarHBondContact O-N 3.23Å; Q17-H21 WeakPolarHBondContact O-CB 3.32Å; Q17-H21 PolarHBondContact O-N 3.17Å
18L86.6Confident82.7Confident30 Ų3084.5 Ų84.516%0.15742%0.42CS..Hα-helixtrans-62.7-34.9174.1-83.9160.4000112.8H14 S15 L16 P96H14-L18 PolarHBondContact O-N 2.69Å; S15-L18 WeakPolarHBondContact O-CB 3.3Å; S15-L18 PolarHBondContact O-N 3.4Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 2.73Å; L18-P96 HydrophobicContact CB-CB 4.17Å
19F88.1Confident82.6Confident46 Ų4687 Ų8720%0.20244%0.437CS..Hα-helixtrans-64.7-41.1173.7-87-53.5000112.9S15 L16 Q17 W93 P96 F97 I100S15-F19 PolarHBondContact O-N 2.89Å; S15-F19 VanDerWaalsContact O-N 3.07Å; L16-F19 WeakPolarHBondContact O-CB 3.4Å; L16-F19 PolarHBondContact O-N 3.16Å; Q17-F19 VanDerWaalsContact C-N 3.31Å; Q17-F19 PolarHBondContact O-N 3.44Å; F19-W93 HydrophobicContact CD1-CE3 4.13Å; F19-W93 HydrophobicContact CD1-CZ3 4.34Å; F19-W93 HydrophobicContact CE1-CD2 4.3Å; F19-W93 AromaticContact CE1-CE3 3.51Å; F19-W93 HydrophobicContact CE1-CE3 3.51Å; F19-W93 AromaticContact CE1-CZ3 4Å; F19-W93 HydrophobicContact CE1-CZ3 4Å; F19-W93 HydrophobicContact CZ-CE3 4.42Å; F19-P96 HydrophobicContact CD1-CB 4.31Å; F19-P96 HydrophobicContact CD1-CG 3.69Å; F19-P96 HydrophobicContact CD2-CB 3.77Å; F19-P96 HydrophobicContact CD2-CG 4.07Å; F19-P96 HydrophobicContact CE1-CB 4.18Å; F19-P96 HydrophobicContact CE1-CG 3.45Å; F19-P96 VanDerWaalsContact CE1-CG 3.45Å; F19-P96 HydrophobicContact CE2-CB 3.65Å; F19-P96 HydrophobicContact CE2-CG 3.89Å; F19-P96 HydrophobicContact CG-CB 4.11Å; F19-P96 HydrophobicContact CG-CG 3.98Å; F19-P96 HydrophobicContact CZ-CB 3.86Å; F19-P96 HydrophobicContact CZ-CG 3.58Å; F19-F97 HydrophobicContact CZ-CB 4.02Å; F19-I100 HydrophobicContact CD2-CD1 4.32Å; F19-I100 HydrophobicContact CE2-CD1 3.85Å
20I86.6Confident82.4Confident128 Ų12885 Ų8566%0.65643%0.426SS*.Hα-helixtrans-79.5-47.7-176.4-62.4167.3000110.7L16 Q17 R22L16-I20 WeakPolarHBondContact O-CG1 3.24Å; L16-I20 PolarHBondContact O-N 3.39Å; L16-I20 VanDerWaalsContact O-N 3.16Å; Q17-I20 PolarHBondContact O-N 3.23Å; I20-R22 PolarHBondContact O-N 3.34Å
21H84.1Confident82.3Confident109 Ų10985.5 Ų85.551%0.50543%0.425SS..  trans-104.967.1-174.6-62-62.9000111.7Q17 H23 H24Q17-H21 WeakPolarHBondContact O-CB 3.32Å; Q17-H21 PolarHBondContact O-N 3.17Å; H21-H23 PolarHBondContact O-N 2.73Å; H21-H24 PolarHBondContact O-N 3.39Å
22R73.9Confident82.3Confident104 Ų10487 Ų8739%0.39244%0.436SS..G310 helixtrans-61-16.5-177.8-68.9-173.2-176.7170.33.6115.3I20 H24 F25I20-R22 PolarHBondContact O-N 3.34Å; R22-H24 PolarHBondContact O-N 2.81Å; R22-F25 WeakPolarHBondContact O-CB 3.48Å; R22-F25 PolarHBondContact O-N 3.01Å
23H66.3Low82.1Confident192 Ų19286 Ų8689%0.88943%0.428SS*.G310 helixtrans-65.8-15.9-179.5-72.3-70.8000113.7H21 F25H21-H23 PolarHBondContact O-N 2.73Å; H23-F25 VanDerWaalsContact C-N 3.26Å; H23-F25 PolarHBondContact O-N 3.07Å
24H61.9Low82.1Confident116 Ų11684.4 Ų84.454%0.53742%0.42SS..G310 helixtrans-83.16.5176.4-74.8-65.8000114.5H21 R22 D26 I27H21-H24 PolarHBondContact O-N 3.39Å; R22-H24 PolarHBondContact O-N 2.81Å; H24-D26 PolarHBondContact O-N 3.24Å; H24-D26 VanDerWaalsContact O-N 3.16Å; H24-I27 HydrophobicContact CB-CD1 3.75Å; H24-I27 WeakPolarHBondContact O-CD1 3.4Å; H24-I27 VanDerWaalsContact O-CG1 3.24Å; H24-I27 WeakPolarHBondContact O-CG1 3.4Å; H24-I27 PolarHBondContact O-N 2.94Å
25F60.6Low82.2Confident32 Ų3283.9 Ų83.914%0.1442%0.42CS..G310 helixtrans-67.4-18.1-173.7-151-106.4000114.5R22 H23 R83 V91 A92 D95R22-F25 WeakPolarHBondContact O-CB 3.48Å; R22-F25 PolarHBondContact O-N 3.01Å; H23-F25 VanDerWaalsContact C-N 3.26Å; H23-F25 PolarHBondContact O-N 3.07Å; F25-R83 PolarHBondContact O-NH1 3.14Å; F25-R83 PolarHBondContact O-NH2 3.32Å; F25-V91 HydrophobicContact CE1-CB 3.97Å; F25-V91 HydrophobicContact CE1-CG1 3.72Å; F25-V91 HydrophobicContact CZ-CB 3.9Å; F25-V91 HydrophobicContact CZ-CG1 3.38Å; F25-V91 WeakPolarHBondContact CZ-O 3.44Å; F25-A92 HydrophobicContact CD1-CB 4.38Å; F25-A92 HydrophobicContact CD2-CB 4.18Å; F25-A92 HydrophobicContact CE1-CB 4.34Å; F25-A92 VanDerWaalsContact CE2-CA 3.46Å; F25-A92 HydrophobicContact CE2-CB 4.17Å; F25-A92 HydrophobicContact CG-CB 4.31Å; F25-A92 HydrophobicContact CZ-CB 4.25Å; F25-D95 HydrophobicContact CE2-CB 4.35Å
26D64.8Low82.3Confident123 Ų12387.4 Ų87.466%0.65844%0.441SS*.G310 helixtrans-91.28-177.3-83.3-20000115.3H24 H28 R83H24-D26 PolarHBondContact O-N 3.24Å; H24-D26 VanDerWaalsContact O-N 3.16Å; D26-H28 VanDerWaalsContact C-N 3.3Å; D26-H28 PolarHBondContact O-N 3.4Å; D26-R83 IonicContact OD1-CZ 3.7Å; D26-R83 IonicContact OD1-NH1 2.69Å; D26-R83 IonicContact OD1-NH2 3.7Å; D26-R83 PolarHBondContact OD1-NH2 3.29Å
27I67Low82.2Confident111 Ų11183.4 Ų83.457%0.56942%0.421SS*.SBendtrans-65.9-32.3-176.1-61.7165.8000112.4H24H24-I27 HydrophobicContact CB-CD1 3.75Å; H24-I27 WeakPolarHBondContact O-CD1 3.4Å; H24-I27 VanDerWaalsContact O-CG1 3.24Å; H24-I27 WeakPolarHBondContact O-CG1 3.4Å; H24-I27 PolarHBondContact O-N 2.94Å
28H77.6Confident82.4Confident117 Ų11782.2 Ų82.254%0.54242%0.421SS..SBendtrans-110.7123.1-173-59-48.3000112.3D26 M33 R83D26-H28 VanDerWaalsContact C-N 3.3Å; D26-H28 PolarHBondContact O-N 3.4Å; H28-M33 HydrophobicContact CB-CG 3.89Å; H28-M33 HydrophobicContact CB-SD 3.69Å; H28-R83 PolarHBondContact O-NH1 3.4Å
29S87.8Confident82.8Confident60 Ų6085 Ų8542%0.4244%0.439SS..  trans-65.5134.5172.588.30000109.8L31 V32 M33S29-L31 PolarHBondContact O-N 3.48Å; S29-V32 PolarHBondContact O-N 3.49Å; S29-V32 VanDerWaalsContact OG-CB 3.31Å; S29-V32 WeakPolarHBondContact OG-CB 3.41Å; S29-V32 WeakPolarHBondContact OG-CG2 3.23Å; S29-V32 PolarHBondContact OG-N 3.48Å; S29-M33 PolarHBondContact O-N 2.82Å; S29-M33 VanDerWaalsContact O-N 3.14Å
30P88.4Confident82.9Confident38 Ų3885.5 Ų85.525%0.24744%0.444CS..Hα-helixtrans-64.9-31-17526-34.8000112.3M33 L34 R83 L84P30-M33 PolarHBondContact O-N 3.31Å; P30-L34 PolarHBondContact O-N 2.98Å; P30-R83 HydrophobicContact CB-CB 3.82Å; P30-L84 HydrophobicContact CB-CD2 3.88Å; P30-L84 HydrophobicContact CB-CG 4.06Å; P30-L84 HydrophobicContact CG-CD2 3.82Å
31L91.3Very high83.2Confident106 Ų10681.2 Ų81.256%0.55542%0.423SS*.Hα-helixtrans-68.9-41178.7-165.2147.6000111.7S29 L34 I35S29-L31 PolarHBondContact O-N 3.48Å; L31-L34 WeakPolarHBondContact O-CB 3.29Å; L31-L34 PolarHBondContact O-N 2.96Å; L31-I35 HydrophobicContact CD2-CD1 3.62Å; L31-I35 HydrophobicContact CD2-CG1 4.38Å; L31-I35 WeakPolarHBondContact O-CG1 3.31Å; L31-I35 PolarHBondContact O-N 3.27Å; L31-I35 VanDerWaalsContact O-N 3.09Å
32V90.7Very high83.5Confident80 Ų8078 Ų7849%0.48542%0.419SS..Hα-helixtrans-65-42.1174.5172.50000110.7S29 L34 I35 T36S29-V32 PolarHBondContact O-N 3.49Å; S29-V32 VanDerWaalsContact OG-CB 3.31Å; S29-V32 WeakPolarHBondContact OG-CB 3.41Å; S29-V32 WeakPolarHBondContact OG-CG2 3.23Å; S29-V32 PolarHBondContact OG-N 3.48Å; V32-L34 VanDerWaalsContact C-N 3.27Å; V32-L34 PolarHBondContact O-N 3.49Å; V32-I35 PolarHBondContact O-N 3.45Å; V32-T36 HydrophobicContact CG1-CG2 4.21Å; V32-T36 WeakPolarHBondContact O-CG2 3.33Å; V32-T36 PolarHBondContact O-N 2.97Å; V32-T36 PolarHBondContact O-OG1 3.39Å; V32-T36 VanDerWaalsContact O-OG1 3.08Å
33M90.5Very high84.3Confident26 Ų2677.3 Ų77.313%0.12843%0.427CS..Hα-helixtrans-60-37.7175.4-67.1-179.971.400112.4H28 S29 P30 T36 G37 V76 I79 A80H28-M33 HydrophobicContact CB-CG 3.89Å; H28-M33 HydrophobicContact CB-SD 3.69Å; S29-M33 PolarHBondContact O-N 2.82Å; S29-M33 VanDerWaalsContact O-N 3.14Å; P30-M33 PolarHBondContact O-N 3.31Å; M33-T36 WeakPolarHBondContact CA-OG1 3.47Å; M33-T36 PolarHBondContact O-OG1 3.15Å; M33-G37 PolarHBondContact O-N 3.49Å; M33-V76 HydrophobicContact CE-CG1 4.45Å; M33-I79 HydrophobicContact CE-CG2 3.64Å; M33-A80 HydrophobicContact CB-CB 3.85Å
34L92.6Very high85.4Confident56 Ų5669.8 Ų69.829%0.29339%0.391SS..Hα-helixtrans-64.6-45.7176.8-162.791000111.2P30 L31 V32 T38 L77 A80 L84P30-L34 PolarHBondContact O-N 2.98Å; L31-L34 WeakPolarHBondContact O-CB 3.29Å; L31-L34 PolarHBondContact O-N 2.96Å; V32-L34 VanDerWaalsContact C-N 3.27Å; V32-L34 PolarHBondContact O-N 3.49Å; L34-T38 WeakPolarHBondContact O-CB 3.28Å; L34-T38 PolarHBondContact O-N 3.42Å; L34-T38 PolarHBondContact O-OG1 3.36Å; L34-L77 HydrophobicContact CD1-CD2 4.3Å; L34-L77 HydrophobicContact CG-CD2 4.48Å; L34-A80 HydrophobicContact CB-CB 4.22Å; L34-A80 HydrophobicContact CD1-CB 4.05Å; L34-L84 HydrophobicContact CD1-CD1 4.39Å
35I93.1Very high86.5Confident94 Ų9468.5 Ų68.548%0.48239%0.387SS..Hα-helixtrans-63.1-52.3178.9-66.5170.7000110.1L31 V32 G37 T38 V39L31-I35 HydrophobicContact CD2-CD1 3.62Å; L31-I35 HydrophobicContact CD2-CG1 4.38Å; L31-I35 WeakPolarHBondContact O-CG1 3.31Å; L31-I35 PolarHBondContact O-N 3.27Å; L31-I35 VanDerWaalsContact O-N 3.09Å; V32-I35 PolarHBondContact O-N 3.45Å; I35-G37 VanDerWaalsContact C-N 3.34Å; I35-G37 PolarHBondContact O-N 2.94Å; I35-T38 PolarHBondContact O-N 3.47Å; I35-V39 WeakPolarHBondContact O-CG2 3.41Å; I35-V39 PolarHBondContact O-N 3.5Å
36T92.2Very high87.7Confident78 Ų7873.1 Ų73.148%0.47941%0.407SS..Hα-helixtrans-63.8-40.6-178.256.20000111.5V32 M33 T38 V39 D40V32-T36 HydrophobicContact CG1-CG2 4.21Å; V32-T36 WeakPolarHBondContact O-CG2 3.33Å; V32-T36 PolarHBondContact O-N 2.97Å; V32-T36 PolarHBondContact O-OG1 3.39Å; V32-T36 VanDerWaalsContact O-OG1 3.08Å; M33-T36 WeakPolarHBondContact CA-OG1 3.47Å; M33-T36 PolarHBondContact O-OG1 3.15Å; T36-T38 VanDerWaalsContact C-N 3.35Å; T36-T38 PolarHBondContact O-N 3.38Å; T36-V39 PolarHBondContact O-N 2.87Å; T36-D40 VanDerWaalsContact O-CB 3.29Å; T36-D40 WeakPolarHBondContact O-CB 3.43Å; T36-D40 PolarHBondContact O-N 3.04Å
37G92.2Very high88.6Confident2 Ų268.2 Ų68.22%0.02138%0.384CS..Hα-helixtrans-61-41.2174.100000112.7M33 I35 D40 V41M33-G37 PolarHBondContact O-N 3.49Å; I35-G37 VanDerWaalsContact C-N 3.34Å; I35-G37 PolarHBondContact O-N 2.94Å; G37-D40 PolarHBondContact O-N 2.93Å; G37-V41 WeakPolarHBondContact O-CG2 3.44Å; G37-V41 PolarHBondContact O-N 3.4Å
38T93.2Very high89.2Confident78 Ų7863.3 Ų63.348%0.47936%0.36SS..Hα-helixtrans-67.6-43.6178.7-55.40000111.5L34 I35 T36 V41 G42L34-T38 WeakPolarHBondContact O-CB 3.28Å; L34-T38 PolarHBondContact O-N 3.42Å; L34-T38 PolarHBondContact O-OG1 3.36Å; I35-T38 PolarHBondContact O-N 3.47Å; T36-T38 VanDerWaalsContact C-N 3.35Å; T36-T38 PolarHBondContact O-N 3.38Å; T38-V41 PolarHBondContact O-N 2.93Å; T38-G42 PolarHBondContact O-N 3.44Å
39V94.9Very high89.3Confident89 Ų8961.6 Ų61.654%0.53937%0.366SS..Hα-helixtrans-62.8-44.3175.91730000110.7I35 T36 V41 G42 V43I35-V39 WeakPolarHBondContact O-CG2 3.41Å; I35-V39 PolarHBondContact O-N 3.5Å; T36-V39 PolarHBondContact O-N 2.87Å; V39-V41 PolarHBondContact O-N 2.89Å; V39-G42 PolarHBondContact O-N 3.37Å; V39-G42 VanDerWaalsContact O-N 3.1Å; V39-V43 HydrophobicContact CG1-CG2 4.37Å; V39-V43 WeakPolarHBondContact O-CG2 3.45Å; V39-V43 PolarHBondContact O-N 2.99Å
40D91.9Very high88.8Confident57 Ų5766 Ų6631%0.30538%0.378SS..Hα-helixtrans-61.8-42.3177.9-179.151.3000111.9T36 G37 G42 V43 K44 S73T36-D40 VanDerWaalsContact O-CB 3.29Å; T36-D40 WeakPolarHBondContact O-CB 3.43Å; T36-D40 PolarHBondContact O-N 3.04Å; G37-D40 PolarHBondContact O-N 2.93Å; D40-G42 PolarHBondContact O-N 2.97Å; D40-V43 PolarHBondContact O-N 3.13Å; D40-K44 VanDerWaalsContact CG-NZ 3.3Å; D40-K44 WeakPolarHBondContact O-CB 3.1Å; D40-K44 VanDerWaalsContact O-CG 3.31Å; D40-K44 WeakPolarHBondContact O-CG 3.49Å; D40-K44 PolarHBondContact O-N 3.13Å; D40-K44 VanDerWaalsContact OD1-CE 3.23Å; D40-K44 WeakPolarHBondContact OD1-CE 3.41Å; D40-K44 IonicContact OD1-NZ 3.8Å; D40-K44 PolarHBondContact OD1-NZ 2.52Å; D40-K44 VanDerWaalsContact OD1-NZ 3.12Å; D40-K44 IonicContact OD2-NZ 3.82Å; D40-K44 PolarHBondContact OD2-NZ 2.7Å; D40-S73 WeakPolarHBondContact OD2-CB 3.29Å; D40-S73 PolarHBondContact OD2-OG 3.12Å
41V92Very high87.8Confident37 Ų3769.4 Ų69.422%0.22439%0.393CS..Hα-helixtrans-58.4-47.3170.21700000111G37 T38 V39 V43 K44 M45 L70 S73 L77G37-V41 WeakPolarHBondContact O-CG2 3.44Å; G37-V41 PolarHBondContact O-N 3.4Å; T38-V41 PolarHBondContact O-N 2.93Å; V39-V41 PolarHBondContact O-N 2.89Å; V41-V43 PolarHBondContact O-N 3.16Å; V41-K44 PolarHBondContact O-N 3.5Å; V41-M45 HydrophobicContact CG1-CG 4.07Å; V41-M45 WeakPolarHBondContact O-CB 3.41Å; V41-M45 VanDerWaalsContact O-CG 3.29Å; V41-M45 WeakPolarHBondContact O-CG 3.33Å; V41-M45 PolarHBondContact O-N 2.75Å; V41-L70 HydrophobicContact CG1-CD2 4Å; V41-L70 HydrophobicContact CG2-CD2 4.44Å; V41-S73 VanDerWaalsContact CG2-CB 3.4Å; V41-L77 HydrophobicContact CG2-CD1 3.66Å
42G90.9Very high86.3Confident41 Ų4170.8 Ų70.842%0.42340%0.401SS..Hα-helixtrans-58.6-48.2-179.500000112.7T38 V39 D40 K44 M45 F46T38-G42 PolarHBondContact O-N 3.44Å; V39-G42 PolarHBondContact O-N 3.37Å; V39-G42 VanDerWaalsContact O-N 3.1Å; D40-G42 PolarHBondContact O-N 2.97Å; G42-K44 PolarHBondContact O-N 3.04Å; G42-M45 PolarHBondContact O-N 3.35Å; G42-F46 WeakPolarHBondContact O-CB 3.42Å; G42-F46 PolarHBondContact O-N 3.44Å
43V90.7Very high84.7Confident90 Ų9069.6 Ų69.655%0.54539%0.389SS..Hα-helixtrans-62.7-42.5177.3173.30000111V39 D40 V41 F46 A47V39-V43 HydrophobicContact CG1-CG2 4.37Å; V39-V43 WeakPolarHBondContact O-CG2 3.45Å; V39-V43 PolarHBondContact O-N 2.99Å; D40-V43 PolarHBondContact O-N 3.13Å; V41-V43 PolarHBondContact O-N 3.16Å; V43-F46 PolarHBondContact O-N 2.95Å; V43-A47 VanDerWaalsContact O-CB 3.32Å; V43-A47 WeakPolarHBondContact O-CB 3.32Å; V43-A47 PolarHBondContact O-N 3.33Å
44K88.2Confident82.6Confident34 Ų3472 Ų7215%0.14841%0.409CS..Hα-helixtrans-68.3-39.5178.8-77.1170.8172.1158.90112.7D40 V41 G42 A47 A48 Y69 S73D40-K44 VanDerWaalsContact CG-NZ 3.3Å; D40-K44 WeakPolarHBondContact O-CB 3.1Å; D40-K44 VanDerWaalsContact O-CG 3.31Å; D40-K44 WeakPolarHBondContact O-CG 3.49Å; D40-K44 PolarHBondContact O-N 3.13Å; D40-K44 VanDerWaalsContact OD1-CE 3.23Å; D40-K44 WeakPolarHBondContact OD1-CE 3.41Å; D40-K44 IonicContact OD1-NZ 3.8Å; D40-K44 PolarHBondContact OD1-NZ 2.52Å; D40-K44 VanDerWaalsContact OD1-NZ 3.12Å; D40-K44 IonicContact OD2-NZ 3.82Å; D40-K44 PolarHBondContact OD2-NZ 2.7Å; V41-K44 PolarHBondContact O-N 3.5Å; G42-K44 PolarHBondContact O-N 3.04Å; K44-A47 PolarHBondContact O-N 3.08Å; K44-A48 VanDerWaalsContact O-CB 3.24Å; K44-A48 WeakPolarHBondContact O-CB 3.27Å; K44-A48 PolarHBondContact O-N 2.74Å; K44-Y69 HydrophobicContact CB-CD1 3.88Å; K44-Y69 HydrophobicContact CB-CE1 3.43Å; K44-Y69 VanDerWaalsContact CB-CE1 3.43Å; K44-Y69 HydrophobicContact CD-CE1 4.33Å; K44-Y69 HydrophobicContact CG-CD1 4.13Å; K44-Y69 HydrophobicContact CG-CE1 3.53Å; K44-Y69 WeakPolarHBondContact O-CE1 3.24Å; K44-S73 VanDerWaalsContact CD-OG 3.27Å; K44-S73 WeakPolarHBondContact CD-OG 3.44Å; K44-S73 PolarHBondContact NZ-OG 2.69Å
45M85.8Confident80.6Confident90 Ų9074.8 Ų74.844%0.44343%0.433SS..Hα-helixtrans-64-43174.3-74.8-61.3-65.800111.2V41 G42 A48 A49 F66 L70V41-M45 HydrophobicContact CG1-CG 4.07Å; V41-M45 WeakPolarHBondContact O-CB 3.41Å; V41-M45 VanDerWaalsContact O-CG 3.29Å; V41-M45 WeakPolarHBondContact O-CG 3.33Å; V41-M45 PolarHBondContact O-N 2.75Å; G42-M45 PolarHBondContact O-N 3.35Å; M45-A48 PolarHBondContact O-N 3.26Å; M45-A49 WeakPolarHBondContact O-CB 3.42Å; M45-A49 PolarHBondContact O-N 2.93Å; M45-F66 HydrophobicContact SD-CE1 4.43Å; M45-L70 HydrophobicContact CG-CD2 4.12Å; M45-L70 HydrophobicContact SD-CD1 3.68Å; M45-L70 HydrophobicContact SD-CD2 3.94Å; M45-L70 HydrophobicContact SD-CG 4.36Å
46F86.7Confident78.6Confident129 Ų12973.6 Ų73.657%0.56644%0.438SS*.Hα-helixtrans-60.1-52.5173.2-176.7-90000110.6G42 V43 A48 A49 F50G42-F46 WeakPolarHBondContact O-CB 3.42Å; G42-F46 PolarHBondContact O-N 3.44Å; V43-F46 PolarHBondContact O-N 2.95Å; F46-A48 VanDerWaalsContact C-N 3.26Å; F46-A48 PolarHBondContact O-N 3.36Å; F46-A49 PolarHBondContact O-N 2.83Å; F46-A49 VanDerWaalsContact O-N 3.07Å; F46-F50 AromaticContact CD1-CD2 3.92Å; F46-F50 HydrophobicContact CD1-CD2 3.92Å; F46-F50 HydrophobicContact CD1-CE2 4.42Å; F46-F50 AromaticContact CD2-CD2 3.76Å; F46-F50 HydrophobicContact CD2-CD2 3.76Å; F46-F50 AromaticContact CD2-CE2 3.49Å; F46-F50 HydrophobicContact CD2-CE2 3.49Å; F46-F50 VanDerWaalsContact CD2-CE2 3.49Å; F46-F50 AromaticContact CE1-CD2 3.71Å; F46-F50 HydrophobicContact CE1-CD2 3.71Å; F46-F50 HydrophobicContact CE1-CE2 4.06Å; F46-F50 HydrophobicContact CE1-CG 4.26Å; F46-F50 AromaticContact CE2-CD2 3.56Å; F46-F50 HydrophobicContact CE2-CD2 3.56Å; F46-F50 AromaticContact CE2-CE2 3.06Å; F46-F50 HydrophobicContact CE2-CE2 3.06Å; F46-F50 AromaticContact CE2-CZ 3.78Å; F46-F50 HydrophobicContact CE2-CZ 3.78Å; F46-F50 AromaticContact CG-CD2 3.94Å; F46-F50 HydrophobicContact CG-CD2 3.94Å; F46-F50 HydrophobicContact CG-CE2 4.16Å; F46-F50 AromaticContact CZ-CD2 3.52Å; F46-F50 HydrophobicContact CZ-CD2 3.52Å; F46-F50 AromaticContact CZ-CE2 3.38Å; F46-F50 HydrophobicContact CZ-CE2 3.38Å; F46-F50 HydrophobicContact CZ-CG 4.22Å; F46-F50 AromaticContact CZ-CZ 3.92Å; F46-F50 HydrophobicContact CZ-CZ 3.92Å; F46-F50 VanDerWaalsContact O-CD2 3.3Å; F46-F50 WeakPolarHBondContact O-CD2 3.38Å; F46-F50 PolarHBondContact O-N 2.93Å
47A83.4Confident76.9Confident20 Ų2072 Ų7217%0.16543%0.427CS..Hα-helixtrans-56.3-40.7177.700000111.9V43 K44 F50 L51V43-A47 VanDerWaalsContact O-CB 3.32Å; V43-A47 WeakPolarHBondContact O-CB 3.32Å; V43-A47 PolarHBondContact O-N 3.33Å; K44-A47 PolarHBondContact O-N 3.08Å; A47-F50 PolarHBondContact O-N 2.85Å; A47-L51 HydrophobicContact CB-CD1 4.19Å; A47-L51 WeakPolarHBondContact O-CA 3.46Å; A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 VanDerWaalsContact O-CG 3.32Å; A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 3.03Å
48A78.8Confident75.3Confident8 Ų875.4 Ų75.47%0.06645%0.451CS..Hα-helixtrans-75.5-23-18000000113.9K44 M45 F46 F66 Y69K44-A48 VanDerWaalsContact O-CB 3.24Å; K44-A48 WeakPolarHBondContact O-CB 3.27Å; K44-A48 PolarHBondContact O-N 2.74Å; M45-A48 PolarHBondContact O-N 3.26Å; F46-A48 VanDerWaalsContact C-N 3.26Å; F46-A48 PolarHBondContact O-N 3.36Å; A48-F66 HydrophobicContact CB-CD1 4.12Å; A48-F66 HydrophobicContact CB-CE1 3.25Å; A48-F66 HydrophobicContact CB-CE2 4.3Å; A48-F66 HydrophobicContact CB-CZ 3.37Å; A48-Y69 HydrophobicContact CB-CD1 4.47Å
49A79.3Confident74Confident81 Ų8180.6 Ų80.667%0.66947%0.467SS*.Hα-helixtrans-76.9-34.5171.800000112.3M45 F46M45-A49 WeakPolarHBondContact O-CB 3.42Å; M45-A49 PolarHBondContact O-N 2.93Å; F46-A49 PolarHBondContact O-N 2.83Å; F46-A49 VanDerWaalsContact O-N 3.07Å
50F77.6Confident72.5Confident152 Ų15286.6 Ų86.667%0.66748%0.48SS*.Hα-helixtrans-96.5-31.8-176.3-78.4-86.3000114.3F46 A47 D52F46-F50 AromaticContact CD1-CD2 3.92Å; F46-F50 HydrophobicContact CD1-CD2 3.92Å; F46-F50 HydrophobicContact CD1-CE2 4.42Å; F46-F50 AromaticContact CD2-CD2 3.76Å; F46-F50 HydrophobicContact CD2-CD2 3.76Å; F46-F50 AromaticContact CD2-CE2 3.49Å; F46-F50 HydrophobicContact CD2-CE2 3.49Å; F46-F50 VanDerWaalsContact CD2-CE2 3.49Å; F46-F50 AromaticContact CE1-CD2 3.71Å; F46-F50 HydrophobicContact CE1-CD2 3.71Å; F46-F50 HydrophobicContact CE1-CE2 4.06Å; F46-F50 HydrophobicContact CE1-CG 4.26Å; F46-F50 AromaticContact CE2-CD2 3.56Å; F46-F50 HydrophobicContact CE2-CD2 3.56Å; F46-F50 AromaticContact CE2-CE2 3.06Å; F46-F50 HydrophobicContact CE2-CE2 3.06Å; F46-F50 AromaticContact CE2-CZ 3.78Å; F46-F50 HydrophobicContact CE2-CZ 3.78Å; F46-F50 AromaticContact CG-CD2 3.94Å; F46-F50 HydrophobicContact CG-CD2 3.94Å; F46-F50 HydrophobicContact CG-CE2 4.16Å; F46-F50 AromaticContact CZ-CD2 3.52Å; F46-F50 HydrophobicContact CZ-CD2 3.52Å; F46-F50 AromaticContact CZ-CE2 3.38Å; F46-F50 HydrophobicContact CZ-CE2 3.38Å; F46-F50 HydrophobicContact CZ-CG 4.22Å; F46-F50 AromaticContact CZ-CZ 3.92Å; F46-F50 HydrophobicContact CZ-CZ 3.92Å; F46-F50 VanDerWaalsContact O-CD2 3.3Å; F46-F50 WeakPolarHBondContact O-CD2 3.38Å; F46-F50 PolarHBondContact O-N 2.93Å; A47-F50 PolarHBondContact O-N 2.85Å; F50-D52 PolarHBondContact O-N 3.3Å
51L67.9Low71.2Confident110 Ų11088 Ų8858%0.57649%0.486SS*.SBendtrans-78.7114.9171.1-68165.8000107.2A47 F53A47-L51 HydrophobicContact CB-CD1 4.19Å; A47-L51 WeakPolarHBondContact O-CA 3.46Å; A47-L51 WeakPolarHBondContact O-CB 3.4Å; A47-L51 VanDerWaalsContact O-CG 3.32Å; A47-L51 WeakPolarHBondContact O-CG 3.47Å; A47-L51 PolarHBondContact O-N 3.03Å; L51-F53 PolarHBondContact O-N 2.97Å
52D60.1Low70.2Confident135 Ų13588.9 Ų88.972%0.72249%0.489SS*.  trans-61.478-172.5-15420.2000112F50 S54F50-D52 PolarHBondContact O-N 3.3Å; D52-S54 PolarHBondContact O-N 2.67Å; D52-S54 VanDerWaalsContact O-N 3.16Å
53F56.3Low69.2Low54 Ų5491.3 Ų91.324%0.23750%0.495CS..  trans-69-2.2169.8-93.6-79.4000111.8L51 T57 L62 R65L51-F53 PolarHBondContact O-N 2.97Å; F53-T57 PolarHBondContact O-OG1 2.82Å; F53-T57 VanDerWaalsContact O-OG1 3.11Å; F53-L62 HydrophobicContact CB-CD1 3.75Å; F53-L62 WeakPolarHBondContact O-CD1 3.46Å; F53-R65 HydrophobicContact CD1-CB 4.23Å; F53-R65 HydrophobicContact CE1-CB 3.78Å; F53-R65 HydrophobicContact CE1-CG 4.04Å
54S47.5Very low68.1Low78 Ų7891.1 Ų91.155%0.54550%0.497SS..  trans-124.1105.9-173179.20000110.1D52D52-S54 PolarHBondContact O-N 2.67Å; D52-S54 VanDerWaalsContact O-N 3.16Å
55S49.8Very low67.3Low113 Ų11394.4 Ų94.479%0.7951%0.509SS*.SBend-153.1-15.3104.549.90000113.7
56A51.6Low66.8Low70 Ų7092.6 Ų92.658%0.57950%0.498SS*.SBendtrans-107.3-1.4-178.500000113.9
57T55.9Low66.1Low43 Ų4390 Ų9026%0.26450%0.496SS..SBendtrans-99.3127.5-167.7-230000112.2F53 K59 M61F53-T57 PolarHBondContact O-OG1 2.82Å; F53-T57 VanDerWaalsContact O-OG1 3.11Å; T57-K59 PolarHBondContact O-N 2.87Å; T57-M61 HydrophobicContact CG2-CB 3.96Å; T57-M61 HydrophobicContact CG2-CE 3.17Å; T57-M61 HydrophobicContact CG2-CG 4.27Å; T57-M61 HydrophobicContact CG2-SD 3.9Å
58S59Low65.8Low75 Ų7591.5 Ų91.552%0.52450%0.499SS..  trans-50.8137.5175.11640000112.5R60 M61 L62S58-R60 PolarHBondContact O-N 3.41Å; S58-R60 VanDerWaalsContact O-N 3.08Å; S58-R60 PolarHBondContact OG-N 3.22Å; S58-M61 WeakPolarHBondContact O-CA 3.25Å; S58-M61 WeakPolarHBondContact O-CB 3.21Å; S58-M61 PolarHBondContact O-N 3.26Å; S58-L62 PolarHBondContact O-N 3.37Å
59K65.8Low65.8Low187 Ų18795 Ų9581%0.81351%0.511SS*.Hα-helixtrans-50.1-35.8177.8-69.1-174.8-179-179.40112.9T57 L62 V63T57-K59 PolarHBondContact O-N 2.87Å; K59-L62 WeakPolarHBondContact O-CB 3.32Å; K59-L62 PolarHBondContact O-N 3.31Å; K59-V63 PolarHBondContact O-N 2.96Å
60R63Low65.9Low214 Ų21492.8 Ų92.881%0.80849%0.488SS*.Hα-helixtrans-65.6-40.3176.1-74.4-174176.6-178.9-0.4112.2S58 L62 V63 C64S58-R60 PolarHBondContact O-N 3.41Å; S58-R60 VanDerWaalsContact O-N 3.08Å; S58-R60 PolarHBondContact OG-N 3.22Å; R60-L62 VanDerWaalsContact C-N 3.31Å; R60-V63 PolarHBondContact O-N 3.49Å; R60-C64 PolarHBondContact O-N 3.13Å; R60-C64 VanDerWaalsContact O-N 3.11Å
61M64.9Low66.2Low87 Ų8787.3 Ų87.343%0.42947%0.468SS..Hα-helixtrans-70.7-31.6179.7-143.4173.3104.400111.5T57 S58 R65T57-M61 HydrophobicContact CG2-CB 3.96Å; T57-M61 HydrophobicContact CG2-CE 3.17Å; T57-M61 HydrophobicContact CG2-CG 4.27Å; T57-M61 HydrophobicContact CG2-SD 3.9Å; S58-M61 WeakPolarHBondContact O-CA 3.25Å; S58-M61 WeakPolarHBondContact O-CB 3.21Å; S58-M61 PolarHBondContact O-N 3.26Å; M61-R65 WeakPolarHBondContact O-CB 3.3Å; M61-R65 WeakPolarHBondContact O-CD 3.23Å; M61-R65 VanDerWaalsContact O-CG 3.27Å; M61-R65 WeakPolarHBondContact O-CG 3.49Å; M61-R65 PolarHBondContact O-N 2.68Å
62L70.1Confident67Low56 Ų5684.3 Ų84.329%0.29346%0.455SS..Hα-helixtrans-60.2-51.5172-162.796.3000110.8F53 S58 K59 R60 C64 R65 F66F53-L62 HydrophobicContact CB-CD1 3.75Å; F53-L62 WeakPolarHBondContact O-CD1 3.46Å; S58-L62 PolarHBondContact O-N 3.37Å; K59-L62 WeakPolarHBondContact O-CB 3.32Å; K59-L62 PolarHBondContact O-N 3.31Å; R60-L62 VanDerWaalsContact C-N 3.31Å; L62-C64 PolarHBondContact O-N 3.31Å; L62-R65 PolarHBondContact O-N 3.45Å; L62-F66 HydrophobicContact CD1-CE2 4.48Å; L62-F66 HydrophobicContact CD2-CD2 4.32Å; L62-F66 HydrophobicContact CD2-CE2 4.24Å; L62-F66 HydrophobicContact CG-CD2 4Å; L62-F66 HydrophobicContact CG-CE2 4.12Å; L62-F66 PolarHBondContact O-N 2.93Å
63V70.1Confident68.4Low91 Ų9177.9 Ų77.955%0.55242%0.421SS*.Hα-helixtrans-59.2-47.2177.9175.80000110.9K59 R60 R65 F66 S67K59-V63 PolarHBondContact O-N 2.96Å; R60-V63 PolarHBondContact O-N 3.49Å; V63-R65 VanDerWaalsContact C-N 3.31Å; V63-R65 PolarHBondContact O-N 2.85Å; V63-F66 PolarHBondContact O-N 3.47Å; V63-S67 WeakPolarHBondContact O-CB 3.21Å; V63-S67 PolarHBondContact O-N 3.41Å; V63-S67 PolarHBondContact O-OG 3.23Å
64C68.4Low69.9Low87 Ų8777.5 Ų77.559%0.58843%0.428SS*.Hα-helixtrans-58.7-42.2176.7-73.80000112.5R60 L62 F68R60-C64 PolarHBondContact O-N 3.13Å; R60-C64 VanDerWaalsContact O-N 3.11Å; L62-C64 PolarHBondContact O-N 3.31Å; C64-F68 WeakPolarHBondContact O-CB 3.38Å; C64-F68 PolarHBondContact O-N 3.28Å
65R70.9Confident71.9Confident103 Ų10375.2 Ų75.239%0.38941%0.411SS..Hα-helixtrans-65.5-45.1178.1-79.1165.3157.6-160.72.5111.8F53 M61 L62 V63 F68 Y69F53-R65 HydrophobicContact CD1-CB 4.23Å; F53-R65 HydrophobicContact CE1-CB 3.78Å; F53-R65 HydrophobicContact CE1-CG 4.04Å; M61-R65 WeakPolarHBondContact O-CB 3.3Å; M61-R65 WeakPolarHBondContact O-CD 3.23Å; M61-R65 VanDerWaalsContact O-CG 3.27Å; M61-R65 WeakPolarHBondContact O-CG 3.49Å; M61-R65 PolarHBondContact O-N 2.68Å; L62-R65 PolarHBondContact O-N 3.45Å; V63-R65 VanDerWaalsContact C-N 3.31Å; V63-R65 PolarHBondContact O-N 2.85Å; R65-F68 PolarHBondContact O-N 3.44Å; R65-Y69 VanDerWaalsContact O-CB 3.25Å; R65-Y69 WeakPolarHBondContact O-CB 3.41Å; R65-Y69 PolarHBondContact O-N 3.31Å
66F76.7Confident73.8Confident51 Ų5172.1 Ų72.122%0.22439%0.387CS..Hα-helixtrans-62.8-51.3176.2-97.7-86.9000111.8M45 A48 L62 V63 F68 Y69 L70M45-F66 HydrophobicContact SD-CE1 4.43Å; A48-F66 HydrophobicContact CB-CD1 4.12Å; A48-F66 HydrophobicContact CB-CE1 3.25Å; A48-F66 HydrophobicContact CB-CE2 4.3Å; A48-F66 HydrophobicContact CB-CZ 3.37Å; L62-F66 HydrophobicContact CD1-CE2 4.48Å; L62-F66 HydrophobicContact CD2-CD2 4.32Å; L62-F66 HydrophobicContact CD2-CE2 4.24Å; L62-F66 HydrophobicContact CG-CD2 4Å; L62-F66 HydrophobicContact CG-CE2 4.12Å; L62-F66 PolarHBondContact O-N 2.93Å; V63-F66 PolarHBondContact O-N 3.47Å; F66-F68 PolarHBondContact O-N 3.2Å; F66-Y69 PolarHBondContact O-N 3.07Å; F66-Y69 VanDerWaalsContact O-N 3.09Å; F66-L70 HydrophobicContact CD1-CD1 3.84Å; F66-L70 WeakPolarHBondContact O-CB 3.47Å; F66-L70 PolarHBondContact O-N 3.45Å
67S71.8Confident75.8Confident74 Ų7470.7 Ų70.752%0.51737%0.37SS..Hα-helixtrans-56.5-39178.2-64.10000111.3V63 S71V63-S67 WeakPolarHBondContact O-CB 3.21Å; V63-S67 PolarHBondContact O-N 3.41Å; V63-S67 PolarHBondContact O-OG 3.23Å; S67-S71 WeakPolarHBondContact O-CA 2.93Å; S67-S71 WeakPolarHBondContact O-CB 3.36Å; S67-S71 PolarHBondContact O-N 3.46Å
68F75.6Confident77.5Confident53 Ų5372.1 Ų72.123%0.23238%0.378CS..Hα-helixtrans-71-41.3177177.3-96.8000112.9C64 R65 F66 P72 T105 V106C64-F68 WeakPolarHBondContact O-CB 3.38Å; C64-F68 PolarHBondContact O-N 3.28Å; R65-F68 PolarHBondContact O-N 3.44Å; F66-F68 PolarHBondContact O-N 3.2Å; F68-P72 WeakPolarHBondContact O-CD 3.46Å; F68-T105 HydrophobicContact CD2-CG2 3.63Å; F68-T105 HydrophobicContact CE2-CG2 3.77Å; F68-V106 HydrophobicContact CE1-CG2 4.3Å; F68-V106 VanDerWaalsContact CE2-CA 3.46Å; F68-V106 HydrophobicContact CE2-CB 3.98Å; F68-V106 HydrophobicContact CE2-CG2 3.51Å; F68-V106 HydrophobicContact CZ-CB 3.56Å; F68-V106 HydrophobicContact CZ-CG1 3.92Å; F68-V106 HydrophobicContact CZ-CG2 3.19Å
69Y79.7Confident79Confident81 Ų8168.7 Ų68.732%0.31835%0.354SS..Hα-helixtrans-68-36.5-179.8-167.6-115.1000112.5K44 A48 R65 F66K44-Y69 HydrophobicContact CB-CD1 3.88Å; K44-Y69 HydrophobicContact CB-CE1 3.43Å; K44-Y69 VanDerWaalsContact CB-CE1 3.43Å; K44-Y69 HydrophobicContact CD-CE1 4.33Å; K44-Y69 HydrophobicContact CG-CD1 4.13Å; K44-Y69 HydrophobicContact CG-CE1 3.53Å; K44-Y69 WeakPolarHBondContact O-CE1 3.24Å; A48-Y69 HydrophobicContact CB-CD1 4.47Å; R65-Y69 VanDerWaalsContact O-CB 3.25Å; R65-Y69 WeakPolarHBondContact O-CB 3.41Å; R65-Y69 PolarHBondContact O-N 3.31Å; F66-Y69 PolarHBondContact O-N 3.07Å; F66-Y69 VanDerWaalsContact O-N 3.09Å
70L82Confident80.3Confident34 Ų3459.8 Ų59.818%0.17832%0.315CS..Hα-helixtrans-87.4-20.4178.8-78.9147.4000114V41 M45 F66 S73 A74V41-L70 HydrophobicContact CG1-CD2 4Å; V41-L70 HydrophobicContact CG2-CD2 4.44Å; M45-L70 HydrophobicContact CG-CD2 4.12Å; M45-L70 HydrophobicContact SD-CD1 3.68Å; M45-L70 HydrophobicContact SD-CD2 3.94Å; M45-L70 HydrophobicContact SD-CG 4.36Å; F66-L70 HydrophobicContact CD1-CD1 3.84Å; F66-L70 WeakPolarHBondContact O-CB 3.47Å; F66-L70 PolarHBondContact O-N 3.45Å; L70-S73 PolarHBondContact O-N 2.94Å; L70-S73 VanDerWaalsContact O-N 3.08Å; L70-A74 PolarHBondContact O-N 2.88Å
71S83.7Confident81.7Confident37 Ų3752.7 Ų52.726%0.25930%0.296SS..Hα-helixtrans-48.5-50.7-177156.90000113.7S67 S73 A74 T75S67-S71 WeakPolarHBondContact O-CA 2.93Å; S67-S71 WeakPolarHBondContact O-CB 3.36Å; S67-S71 PolarHBondContact O-N 3.46Å; S71-S73 VanDerWaalsContact C-N 3.3Å; S71-S73 PolarHBondContact O-N 2.78Å; S71-A74 PolarHBondContact O-N 3.3Å; S71-T75 WeakPolarHBondContact O-CB 3.29Å; S71-T75 PolarHBondContact O-N 2.89Å; S71-T75 PolarHBondContact O-OG1 3.29Å
72P84.3Confident83.1Confident47 Ų4750 Ų5031%0.30528%0.283SS..Hα-helixtrans-57.8-43.7179.7-19.326.5000112.5F68 T75 V76 T102F68-P72 WeakPolarHBondContact O-CD 3.46Å; P72-T75 WeakPolarHBondContact O-CB 3.47Å; P72-T75 PolarHBondContact O-N 3.23Å; P72-V76 WeakPolarHBondContact O-CG2 3.41Å; P72-V76 PolarHBondContact O-N 2.92Å; P72-T102 HydrophobicContact CB-CG2 4.38Å; P72-T102 HydrophobicContact CG-CG2 3.79Å
73S88.6Confident84Confident0 Ų048.4 Ų48.40%027%0.273CS..Hα-helixtrans-69.8-42-177.1-43.30000111.8D40 V41 K44 L70 S71 T75 V76 L77D40-S73 WeakPolarHBondContact OD2-CB 3.29Å; D40-S73 PolarHBondContact OD2-OG 3.12Å; V41-S73 VanDerWaalsContact CG2-CB 3.4Å; K44-S73 VanDerWaalsContact CD-OG 3.27Å; K44-S73 WeakPolarHBondContact CD-OG 3.44Å; K44-S73 PolarHBondContact NZ-OG 2.69Å; L70-S73 PolarHBondContact O-N 2.94Å; L70-S73 VanDerWaalsContact O-N 3.08Å; S71-S73 VanDerWaalsContact C-N 3.3Å; S71-S73 PolarHBondContact O-N 2.78Å; S73-T75 PolarHBondContact O-N 3.23Å; S73-V76 PolarHBondContact O-N 3.16Å; S73-L77 WeakPolarHBondContact O-CG 3.1Å; S73-L77 PolarHBondContact O-N 3.16Å
74A88.7Confident85Confident46 Ų4648.6 Ų48.638%0.3827%0.271SS..Hα-helixtrans-61-37.2173.900000111.4L70 S71 L77 T78L70-A74 PolarHBondContact O-N 2.88Å; S71-A74 PolarHBondContact O-N 3.3Å; A74-L77 PolarHBondContact O-N 3.39Å; A74-T78 WeakPolarHBondContact O-CB 3.43Å; A74-T78 PolarHBondContact O-N 2.86Å; A74-T78 PolarHBondContact O-OG1 3.21Å
75T89.1Confident86.2Confident30 Ų3050 Ų5018%0.18427%0.27CS..Hα-helixtrans-64.8-49.2177.2-49.40000110.2S71 P72 S73 L77 T78 I79 A98S71-T75 WeakPolarHBondContact O-CB 3.29Å; S71-T75 PolarHBondContact O-N 2.89Å; S71-T75 PolarHBondContact O-OG1 3.29Å; P72-T75 WeakPolarHBondContact O-CB 3.47Å; P72-T75 PolarHBondContact O-N 3.23Å; S73-T75 PolarHBondContact O-N 3.23Å; T75-L77 VanDerWaalsContact C-N 3.34Å; T75-L77 PolarHBondContact O-N 2.98Å; T75-T78 WeakPolarHBondContact O-CB 3.1Å; T75-T78 PolarHBondContact O-N 2.94Å; T75-T78 VanDerWaalsContact O-N 3.15Å; T75-I79 HydrophobicContact CG2-CG1 4.48Å; T75-I79 WeakPolarHBondContact O-CB 3.32Å; T75-I79 VanDerWaalsContact O-CG1 3.25Å; T75-I79 WeakPolarHBondContact O-CG1 3.44Å; T75-I79 PolarHBondContact O-N 2.9Å; T75-A98 HydrophobicContact CG2-CB 3.33Å
76V90.6Very high87.1Confident48 Ų4850.6 Ų50.629%0.29128%0.281SS..Hα-helixtrans-58.5-43.9176.8172.60000111.9M33 P72 S73 T78 I79 A80M33-V76 HydrophobicContact CE-CG1 4.45Å; P72-V76 WeakPolarHBondContact O-CG2 3.41Å; P72-V76 PolarHBondContact O-N 2.92Å; S73-V76 PolarHBondContact O-N 3.16Å; V76-T78 VanDerWaalsContact C-N 3.35Å; V76-T78 PolarHBondContact O-N 2.73Å; V76-I79 PolarHBondContact O-N 3.41Å; V76-A80 WeakPolarHBondContact O-CB 3.45Å; V76-A80 PolarHBondContact O-N 2.9Å
77L92.8Very high87.7Confident41 Ų4152.5 Ų52.522%0.21529%0.29CS..Hα-helixtrans-63.3-40.7176.5-76.3171.6000112.4L34 V41 S73 A74 T75 A80 T81L34-L77 HydrophobicContact CD1-CD2 4.3Å; L34-L77 HydrophobicContact CG-CD2 4.48Å; V41-L77 HydrophobicContact CG2-CD1 3.66Å; S73-L77 WeakPolarHBondContact O-CG 3.1Å; S73-L77 PolarHBondContact O-N 3.16Å; A74-L77 PolarHBondContact O-N 3.39Å; T75-L77 VanDerWaalsContact C-N 3.34Å; T75-L77 PolarHBondContact O-N 2.98Å; L77-A80 PolarHBondContact O-N 2.84Å; L77-T81 WeakPolarHBondContact O-CB 3.25Å; L77-T81 PolarHBondContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 2.95Å
78T91.7Very high88.4Confident73 Ų7354 Ų5445%0.44829%0.288SS..Hα-helixtrans-63.4-46.7176.7-56.20000110.5A74 T75 V76 T81 L82A74-T78 WeakPolarHBondContact O-CB 3.43Å; A74-T78 PolarHBondContact O-N 2.86Å; A74-T78 PolarHBondContact O-OG1 3.21Å; T75-T78 WeakPolarHBondContact O-CB 3.1Å; T75-T78 PolarHBondContact O-N 2.94Å; T75-T78 VanDerWaalsContact O-N 3.15Å; V76-T78 VanDerWaalsContact C-N 3.35Å; V76-T78 PolarHBondContact O-N 2.73Å; T78-T81 PolarHBondContact O-N 3.06Å; T78-L82 HydrophobicContact CG2-CD1 3.99Å; T78-L82 HydrophobicContact CG2-CG 4.47Å; T78-L82 WeakPolarHBondContact O-CB 3.49Å; T78-L82 VanDerWaalsContact O-CG 3.29Å; T78-L82 WeakPolarHBondContact O-CG 3.28Å; T78-L82 PolarHBondContact O-N 3.35Å
79I91.7Very high88.8Confident2 Ų259.6 Ų59.61%0.0131%0.314CS..Hα-helixtrans-58.7-47.4175.7-69.8-63.4000111.1M33 T75 V76 T81 L82 R83 V91 L94 D95M33-I79 HydrophobicContact CE-CG2 3.64Å; T75-I79 HydrophobicContact CG2-CG1 4.48Å; T75-I79 WeakPolarHBondContact O-CB 3.32Å; T75-I79 VanDerWaalsContact O-CG1 3.25Å; T75-I79 WeakPolarHBondContact O-CG1 3.44Å; T75-I79 PolarHBondContact O-N 2.9Å; V76-I79 PolarHBondContact O-N 3.41Å; I79-T81 PolarHBondContact O-N 3.21Å; I79-L82 PolarHBondContact O-N 2.98Å; I79-R83 WeakPolarHBondContact O-CG 3.46Å; I79-R83 PolarHBondContact O-N 3.24Å; I79-V91 HydrophobicContact CB-CG1 4.34Å; I79-V91 HydrophobicContact CD1-CG1 3.81Å; I79-V91 HydrophobicContact CG2-CG1 3.62Å; I79-L94 HydrophobicContact CD1-CB 4.12Å; I79-L94 HydrophobicContact CD1-CD2 4Å; I79-L94 HydrophobicContact CD1-CG 4.02Å; I79-D95 HydrophobicContact CD1-CB 3.67Å; I79-D95 HydrophobicContact CG1-CB 4.21Å; I79-D95 HydrophobicContact CG2-CB 4.49Å
80A92Very high89.3Confident0 Ų060.3 Ų60.30%032%0.323CS..Hα-helixtrans-61.7-45.5178.600000112M33 L34 V76 L77 R83 L84M33-A80 HydrophobicContact CB-CB 3.85Å; L34-A80 HydrophobicContact CB-CB 4.22Å; L34-A80 HydrophobicContact CD1-CB 4.05Å; V76-A80 WeakPolarHBondContact O-CB 3.45Å; V76-A80 PolarHBondContact O-N 2.9Å; L77-A80 PolarHBondContact O-N 2.84Å; A80-R83 PolarHBondContact O-N 3.37Å; A80-L84 WeakPolarHBondContact O-CG 3.45Å; A80-L84 PolarHBondContact O-N 3.19Å
81T92.9Very high89.6Confident65 Ų6558.7 Ų58.740%0.39931%0.314SS..Hα-helixtrans-63.6-45.9179-520000111.1L77 T78 I79 R83 L84 M85L77-T81 WeakPolarHBondContact O-CB 3.25Å; L77-T81 PolarHBondContact O-N 3.09Å; L77-T81 PolarHBondContact O-OG1 2.95Å; T78-T81 PolarHBondContact O-N 3.06Å; I79-T81 PolarHBondContact O-N 3.21Å; T81-R83 VanDerWaalsContact C-N 3.29Å; T81-R83 PolarHBondContact O-N 3.43Å; T81-L84 WeakPolarHBondContact O-CB 3.31Å; T81-L84 PolarHBondContact O-N 3.43Å; T81-L84 VanDerWaalsContact O-N 3.11Å; T81-M85 HydrophobicContact CG2-SD 4.41Å; T81-M85 WeakPolarHBondContact O-CG 3.27Å; T81-M85 PolarHBondContact O-N 3.45Å
82L92.9Very high89.8Confident32 Ų3257.5 Ų57.517%0.16831%0.307CS..Hα-helixtrans-63.1-33.8177-72.6171.7000112.5T78 I79 M85 D86 H87 L90 V91 L94T78-L82 HydrophobicContact CG2-CD1 3.99Å; T78-L82 HydrophobicContact CG2-CG 4.47Å; T78-L82 WeakPolarHBondContact O-CB 3.49Å; T78-L82 VanDerWaalsContact O-CG 3.29Å; T78-L82 WeakPolarHBondContact O-CG 3.28Å; T78-L82 PolarHBondContact O-N 3.35Å; I79-L82 PolarHBondContact O-N 2.98Å; L82-M85 CarbonylContact O-C 3.5Å; L82-M85 PolarHBondContact O-N 2.92Å; L82-D86 PolarHBondContact O-N 2.89Å; L82-H87 PolarHBondContact O-N 3.37Å; L82-L90 HydrophobicContact CD1-CD2 4.11Å; L82-L90 HydrophobicContact CD2-CD2 4.27Å; L82-V91 HydrophobicContact CB-CG2 3.36Å; L82-V91 HydrophobicContact CD1-CG2 4.25Å; L82-V91 HydrophobicContact CG-CG2 4.44Å; L82-L94 HydrophobicContact CD1-CD2 3.71Å
83R90.4Very high90.1Very high22 Ų2262 Ų628%0.08332%0.318CS..Hα-helixtrans-68.3-37.7172.4-73.2-15388.8173.412.4112.6F25 D26 H28 P30 I79 A80 T81 M85 D86 V91F25-R83 PolarHBondContact O-NH1 3.14Å; F25-R83 PolarHBondContact O-NH2 3.32Å; D26-R83 IonicContact OD1-CZ 3.7Å; D26-R83 IonicContact OD1-NH1 2.69Å; D26-R83 IonicContact OD1-NH2 3.7Å; D26-R83 PolarHBondContact OD1-NH2 3.29Å; H28-R83 PolarHBondContact O-NH1 3.4Å; P30-R83 HydrophobicContact CB-CB 3.82Å; I79-R83 WeakPolarHBondContact O-CG 3.46Å; I79-R83 PolarHBondContact O-N 3.24Å; A80-R83 PolarHBondContact O-N 3.37Å; T81-R83 VanDerWaalsContact C-N 3.29Å; T81-R83 PolarHBondContact O-N 3.43Å; R83-M85 PolarHBondContact O-N 3.48Å; R83-D86 PolarHBondContact O-N 3.46Å; R83-V91 HydrophobicContact CG-CB 4.19Å; R83-V91 HydrophobicContact CG-CG1 3.61Å; R83-V91 HydrophobicContact CG-CG2 4.14Å
84L91.1Very high90.2Very high95 Ų9564.8 Ų64.850%0.49733%0.333SS..Hα-helixtrans-64.9-29.6174.3-69.5172.5000112.1P30 L34 A80 T81 D86P30-L84 HydrophobicContact CB-CD2 3.88Å; P30-L84 HydrophobicContact CB-CG 4.06Å; P30-L84 HydrophobicContact CG-CD2 3.82Å; L34-L84 HydrophobicContact CD1-CD1 4.39Å; A80-L84 WeakPolarHBondContact O-CG 3.45Å; A80-L84 PolarHBondContact O-N 3.19Å; T81-L84 WeakPolarHBondContact O-CB 3.31Å; T81-L84 PolarHBondContact O-N 3.43Å; T81-L84 VanDerWaalsContact O-N 3.11Å; L84-D86 PolarHBondContact O-N 3.21Å
85M93.5Very high90.2Very high116 Ų11664.5 Ų64.557%0.57133%0.325SS*.THydrogen-bonded Turntrans-82.710.1172.7-62.5177.169.100113.6T81 L82 R83 H87T81-M85 HydrophobicContact CG2-SD 4.41Å; T81-M85 WeakPolarHBondContact O-CG 3.27Å; T81-M85 PolarHBondContact O-N 3.45Å; L82-M85 CarbonylContact O-C 3.5Å; L82-M85 PolarHBondContact O-N 2.92Å; R83-M85 PolarHBondContact O-N 3.48Å; M85-H87 PolarHBondContact O-N 3.33Å
86D88.6Confident90.3Very high115 Ų11563.1 Ų63.162%0.61532%0.316SS*.THydrogen-bonded Turntrans62.719178.2-116.2-10.8000115.8L82 R83 L84 K88L82-D86 PolarHBondContact O-N 2.89Å; R83-D86 PolarHBondContact O-N 3.46Å; L84-D86 PolarHBondContact O-N 3.21Å; D86-K88 PolarHBondContact O-N 3.4Å; D86-K88 WeakPolarHBondContact OD1-CE 3.48Å; D86-K88 IonicContact OD1-NZ 3.12Å
87H90.3Very high90.4Very high91 Ų9166.5 Ų66.542%0.42133%0.327SS..  trans-78.945.7176.1-67.9-55.6000113.8L82 M85 Q89 L90 V91L82-H87 PolarHBondContact O-N 3.37Å; M85-H87 PolarHBondContact O-N 3.33Å; H87-Q89 VanDerWaalsContact C-N 3.3Å; H87-Q89 PolarHBondContact O-N 2.99Å; H87-Q89 VanDerWaalsContact O-N 3.13Å; H87-L90 HydrophobicContact CB-CB 4.33Å; H87-L90 PolarHBondContact O-N 3.28Å; H87-L90 VanDerWaalsContact O-N 3.16Å; H87-V91 VanDerWaalsContact O-CG2 3.28Å; H87-V91 WeakPolarHBondContact O-CG2 3.47Å; H87-V91 PolarHBondContact O-N 3.47Å; H87-V91 VanDerWaalsContact O-N 3.13Å
88K85.5Confident90.3Very high107 Ų10765.2 Ų65.247%0.46532%0.323SS..Hα-helixtrans-53-41.8-170.1-62.9-179-175.3172.40114.2D86 V91 A92D86-K88 PolarHBondContact O-N 3.4Å; D86-K88 WeakPolarHBondContact OD1-CE 3.48Å; D86-K88 IonicContact OD1-NZ 3.12Å; K88-V91 PolarHBondContact O-N 3.25Å; K88-A92 WeakPolarHBondContact O-CB 3.47Å; K88-A92 PolarHBondContact O-N 2.89Å
89Q85.8Confident90.2Very high169 Ų16963.1 Ų63.179%0.7931%0.313SS*.Hα-helixtrans-70.1-37.3-175.8-130.4167.70.800112.8H87H87-Q89 VanDerWaalsContact C-N 3.3Å; H87-Q89 PolarHBondContact O-N 2.99Å; H87-Q89 VanDerWaalsContact O-N 3.13Å
90L89.1Confident90.2Very high96 Ų9665.2 Ų65.250%0.50332%0.323SS..Hα-helixtrans-65.4-47.2174-177.876.5000110L82 H87 A92 W93 L94L82-L90 HydrophobicContact CD1-CD2 4.11Å; L82-L90 HydrophobicContact CD2-CD2 4.27Å; H87-L90 HydrophobicContact CB-CB 4.33Å; H87-L90 PolarHBondContact O-N 3.28Å; H87-L90 VanDerWaalsContact O-N 3.16Å; L90-A92 VanDerWaalsContact C-N 3.29Å; L90-A92 PolarHBondContact O-N 3.45Å; L90-W93 PolarHBondContact O-N 2.91Å; L90-W93 VanDerWaalsContact O-N 3.13Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 2.89Å
91V89.2Confident90.2Very high0 Ų067.6 Ų67.60%034%0.34CS..Hα-helixtrans-63.5-36.8-177.6-176.20000110.8F25 I79 L82 R83 H87 K88 W93 L94 D95F25-V91 HydrophobicContact CE1-CB 3.97Å; F25-V91 HydrophobicContact CE1-CG1 3.72Å; F25-V91 HydrophobicContact CZ-CB 3.9Å; F25-V91 HydrophobicContact CZ-CG1 3.38Å; F25-V91 WeakPolarHBondContact CZ-O 3.44Å; I79-V91 HydrophobicContact CB-CG1 4.34Å; I79-V91 HydrophobicContact CD1-CG1 3.81Å; I79-V91 HydrophobicContact CG2-CG1 3.62Å; L82-V91 HydrophobicContact CB-CG2 3.36Å; L82-V91 HydrophobicContact CD1-CG2 4.25Å; L82-V91 HydrophobicContact CG-CG2 4.44Å; R83-V91 HydrophobicContact CG-CB 4.19Å; R83-V91 HydrophobicContact CG-CG1 3.61Å; R83-V91 HydrophobicContact CG-CG2 4.14Å; H87-V91 VanDerWaalsContact O-CG2 3.28Å; H87-V91 WeakPolarHBondContact O-CG2 3.47Å; H87-V91 PolarHBondContact O-N 3.47Å; H87-V91 VanDerWaalsContact O-N 3.13Å; K88-V91 PolarHBondContact O-N 3.25Å; V91-W93 PolarHBondContact O-N 3.37Å; V91-L94 PolarHBondContact O-N 2.96Å; V91-D95 WeakPolarHBondContact O-CB 3.42Å; V91-D95 PolarHBondContact O-N 2.99Å
92A87.2Confident89.9Confident13 Ų1365.4 Ų65.411%0.10733%0.326CS..Hα-helixtrans-60.4-27.217600000114.5F25 K88 L90 P96F25-A92 HydrophobicContact CD1-CB 4.38Å; F25-A92 HydrophobicContact CD2-CB 4.18Å; F25-A92 HydrophobicContact CE1-CB 4.34Å; F25-A92 VanDerWaalsContact CE2-CA 3.46Å; F25-A92 HydrophobicContact CE2-CB 4.17Å; F25-A92 HydrophobicContact CG-CB 4.31Å; F25-A92 HydrophobicContact CZ-CB 4.25Å; K88-A92 WeakPolarHBondContact O-CB 3.47Å; K88-A92 PolarHBondContact O-N 2.89Å; L90-A92 VanDerWaalsContact C-N 3.29Å; L90-A92 PolarHBondContact O-N 3.45Å; A92-P96 WeakPolarHBondContact O-CD 3.27Å
93W89.9Confident89.8Confident142 Ų14264.4 Ų64.454%0.53832%0.322SS..Hα-helixtrans-92.2-41.2172.8-8294000112.4F19 L90 V91 F97F19-W93 HydrophobicContact CD1-CE3 4.13Å; F19-W93 HydrophobicContact CD1-CZ3 4.34Å; F19-W93 HydrophobicContact CE1-CD2 4.3Å; F19-W93 AromaticContact CE1-CE3 3.51Å; F19-W93 HydrophobicContact CE1-CE3 3.51Å; F19-W93 AromaticContact CE1-CZ3 4Å; F19-W93 HydrophobicContact CE1-CZ3 4Å; F19-W93 HydrophobicContact CZ-CE3 4.42Å; L90-W93 PolarHBondContact O-N 2.91Å; L90-W93 VanDerWaalsContact O-N 3.13Å; V91-W93 PolarHBondContact O-N 3.37Å; W93-F97 VanDerWaalsContact O-CB 3.28Å; W93-F97 WeakPolarHBondContact O-CB 3.35Å; W93-F97 PolarHBondContact O-N 3.41Å
94L90.7Very high89.7Confident58 Ų5865.5 Ų65.530%0.30434%0.336SS..Hα-helixtrans-68.8-39.4-172.1-176.367.8000112I79 L82 L90 V91 F97 A98I79-L94 HydrophobicContact CD1-CB 4.12Å; I79-L94 HydrophobicContact CD1-CD2 4Å; I79-L94 HydrophobicContact CD1-CG 4.02Å; L82-L94 HydrophobicContact CD1-CD2 3.71Å; L90-L94 WeakPolarHBondContact O-CB 3.34Å; L90-L94 PolarHBondContact O-N 2.89Å; V91-L94 PolarHBondContact O-N 2.96Å; L94-F97 PolarHBondContact O-N 3.08Å; L94-A98 WeakPolarHBondContact O-CB 3.32Å; L94-A98 PolarHBondContact O-N 3.25Å
95D89.3Confident89.4Confident39 Ų3964.2 Ų64.221%0.20933%0.332CS..Hα-helixtrans-60-59.7-176.5-170.138000112.7F25 I79 V91 F97 A98 A99F25-D95 HydrophobicContact CE2-CB 4.35Å; I79-D95 HydrophobicContact CD1-CB 3.67Å; I79-D95 HydrophobicContact CG1-CB 4.21Å; I79-D95 HydrophobicContact CG2-CB 4.49Å; V91-D95 WeakPolarHBondContact O-CB 3.42Å; V91-D95 PolarHBondContact O-N 2.99Å; D95-F97 VanDerWaalsContact C-N 3.28Å; D95-F97 PolarHBondContact O-N 3.33Å; D95-A98 PolarHBondContact O-N 3.24Å; D95-A99 WeakPolarHBondContact O-CB 3.13Å; D95-A99 PolarHBondContact O-N 3.39Å
96P91Very high88.9Confident1 Ų159.4 Ų59.41%0.00631%0.309CS..Hα-helixtrans-64.3-33178.326.5-36.4000112.6S15 L18 F19 A92 I100S15-P96 VanDerWaalsContact O-CB 3.23Å; S15-P96 WeakPolarHBondContact O-CB 3.43Å; L18-P96 HydrophobicContact CB-CB 4.17Å; F19-P96 HydrophobicContact CD1-CB 4.31Å; F19-P96 HydrophobicContact CD1-CG 3.69Å; F19-P96 HydrophobicContact CD2-CB 3.77Å; F19-P96 HydrophobicContact CD2-CG 4.07Å; F19-P96 HydrophobicContact CE1-CB 4.18Å; F19-P96 HydrophobicContact CE1-CG 3.45Å; F19-P96 VanDerWaalsContact CE1-CG 3.45Å; F19-P96 HydrophobicContact CE2-CB 3.65Å; F19-P96 HydrophobicContact CE2-CG 3.89Å; F19-P96 HydrophobicContact CG-CB 4.11Å; F19-P96 HydrophobicContact CG-CG 3.98Å; F19-P96 HydrophobicContact CZ-CB 3.86Å; F19-P96 HydrophobicContact CZ-CG 3.58Å; A92-P96 WeakPolarHBondContact O-CD 3.27Å; P96-I100 WeakPolarHBondContact O-CD1 3.44Å; P96-I100 VanDerWaalsContact O-CG1 3.31Å; P96-I100 WeakPolarHBondContact O-CG1 3.39Å; P96-I100 PolarHBondContact O-N 3.36Å
97F92.2Very high88.9Confident119 Ų11955.1 Ų55.152%0.52229%0.29SS..Hα-helixtrans-62.9-51.6175.7179.6-104.1000111.7F19 W93 L94 D95 A99 I100 C101F19-F97 HydrophobicContact CZ-CB 4.02Å; W93-F97 VanDerWaalsContact O-CB 3.28Å; W93-F97 WeakPolarHBondContact O-CB 3.35Å; W93-F97 PolarHBondContact O-N 3.41Å; L94-F97 PolarHBondContact O-N 3.08Å; D95-F97 VanDerWaalsContact C-N 3.28Å; D95-F97 PolarHBondContact O-N 3.33Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.18Å; F97-I100 PolarHBondContact O-N 3.45Å; F97-C101 VanDerWaalsContact CZ-SG 3.56Å; F97-C101 PolarHBondContact O-N 3.05Å; F97-C101 PolarHBondContact O-SG 3.04Å
98A90.6Very high88.6Confident15 Ų1555.9 Ų55.912%0.12430%0.296CS..Hα-helixtrans-66.9-35-17800000111.6T75 L94 D95 C101 T102T75-A98 HydrophobicContact CG2-CB 3.33Å; L94-A98 WeakPolarHBondContact O-CB 3.32Å; L94-A98 PolarHBondContact O-N 3.25Å; D95-A98 PolarHBondContact O-N 3.24Å; A98-C101 PolarHBondContact O-N 3.11Å; A98-T102 VanDerWaalsContact O-CB 3.32Å; A98-T102 WeakPolarHBondContact O-CB 3.03Å; A98-T102 PolarHBondContact O-N 2.79Å; A98-T102 PolarHBondContact O-OG1 3.38Å
99A90.3Very high88.3Confident29 Ų2953.6 Ų53.624%0.2429%0.291CS..Hα-helixtrans-60.9-44.1171.900000112.1S15 D95 F97 T102 C103S15-A99 VanDerWaalsContact OG-CB 3.3Å; S15-A99 WeakPolarHBondContact OG-CB 3.35Å; D95-A99 WeakPolarHBondContact O-CB 3.13Å; D95-A99 PolarHBondContact O-N 3.39Å; F97-A99 VanDerWaalsContact C-N 3.31Å; F97-A99 PolarHBondContact O-N 3.18Å; A99-T102 PolarHBondContact O-N 2.71Å; A99-C103 WeakPolarHBondContact O-CB 3.43Å; A99-C103 PolarHBondContact O-N 3.16Å; A99-C103 PolarHBondContact O-SG 2.96Å
100I92.6Very high88.2Confident45 Ų4546.2 Ų46.223%0.23126%0.258CS..Hα-helixtrans-64.3-47.3175.9-72.3163.7000111.3V12 L16 F19 P96 F97 T102 C103 A104V12-I100 HydrophobicContact CG2-CG1 4.5Å; L16-I100 HydrophobicContact CD2-CD1 4.25Å; F19-I100 HydrophobicContact CD2-CD1 4.32Å; F19-I100 HydrophobicContact CE2-CD1 3.85Å; P96-I100 WeakPolarHBondContact O-CD1 3.44Å; P96-I100 VanDerWaalsContact O-CG1 3.31Å; P96-I100 WeakPolarHBondContact O-CG1 3.39Å; P96-I100 PolarHBondContact O-N 3.36Å; F97-I100 PolarHBondContact O-N 3.45Å; I100-T102 VanDerWaalsContact C-N 3.27Å; I100-T102 PolarHBondContact O-N 2.87Å; I100-C103 PolarHBondContact O-N 2.76Å; I100-A104 WeakPolarHBondContact O-CB 3.24Å; I100-A104 PolarHBondContact O-N 3.31Å
101C91Very high87.8Confident51 Ų5144.9 Ų44.935%0.34525%0.254SS..Hα-helixtrans-59.6-41.1177.6-70.80000111.8F97 A98 A104 T105F97-C101 VanDerWaalsContact CZ-SG 3.56Å; F97-C101 PolarHBondContact O-N 3.05Å; F97-C101 PolarHBondContact O-SG 3.04Å; A98-C101 PolarHBondContact O-N 3.11Å; C101-A104 PolarHBondContact O-N 2.85Å; C101-T105 PolarHBondContact O-N 3.43Å; C101-T105 PolarHBondContact O-OG1 3.02Å
102T87.8Confident87.4Confident19 Ų1950 Ų5012%0.11728%0.28CS..Hα-helixtrans-63.3-48.3176-56.60000110.5P72 A98 A99 I100 A104 T105 V106P72-T102 HydrophobicContact CB-CG2 4.38Å; P72-T102 HydrophobicContact CG-CG2 3.79Å; A98-T102 VanDerWaalsContact O-CB 3.32Å; A98-T102 WeakPolarHBondContact O-CB 3.03Å; A98-T102 PolarHBondContact O-N 2.79Å; A98-T102 PolarHBondContact O-OG1 3.38Å; A99-T102 PolarHBondContact O-N 2.71Å; I100-T102 VanDerWaalsContact C-N 3.27Å; I100-T102 PolarHBondContact O-N 2.87Å; T102-A104 PolarHBondContact O-N 2.98Å; T102-T105 PolarHBondContact O-N 3.24Å; T102-V106 HydrophobicContact CG2-CG2 4.38Å; T102-V106 WeakPolarHBondContact O-CG2 3.32Å; T102-V106 PolarHBondContact O-N 2.94Å
103C89.7Confident87Confident10 Ų1051 Ų517%0.06829%0.288CS..Hα-helixtrans-61.2-41.2177.1-69.90000112.9C8 V12 A99 I100 T105 V106 A107C8-C103 HydrophobicContact CB-CB 4.05Å; V12-C103 HydrophobicContact CG2-CB 3.71Å; A99-C103 WeakPolarHBondContact O-CB 3.43Å; A99-C103 PolarHBondContact O-N 3.16Å; A99-C103 PolarHBondContact O-SG 2.96Å; I100-C103 PolarHBondContact O-N 2.76Å; C103-T105 VanDerWaalsContact C-N 3.34Å; C103-T105 PolarHBondContact O-N 2.89Å; C103-V106 PolarHBondContact O-N 3.42Å; C103-A107 WeakPolarHBondContact O-CB 3.49Å; C103-A107 PolarHBondContact O-N 2.83Å
104A88.7Confident86.6Confident46 Ų4646 Ų4638%0.3827%0.274SS..Hα-helixtrans-61-45.117600000111.1I100 C101 T102 V106 A107 I108I100-A104 WeakPolarHBondContact O-CB 3.24Å; I100-A104 PolarHBondContact O-N 3.31Å; C101-A104 PolarHBondContact O-N 2.85Å; T102-A104 PolarHBondContact O-N 2.98Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 PolarHBondContact O-N 3.45Å; A104-A107 PolarHBondContact O-N 3.16Å; A104-I108 WeakPolarHBondContact O-CD1 3.44Å; A104-I108 VanDerWaalsContact O-CG1 3.24Å; A104-I108 WeakPolarHBondContact O-CG1 3.39Å; A104-I108 PolarHBondContact O-N 3.46Å
105T84.4Confident86Confident67 Ų6746.4 Ų46.441%0.41128%0.279SS..Hα-helixtrans-62.6-41.2176.5-49.60000111.2F68 C101 T102 C103 I108 T109F68-T105 HydrophobicContact CD2-CG2 3.63Å; F68-T105 HydrophobicContact CE2-CG2 3.77Å; C101-T105 PolarHBondContact O-N 3.43Å; C101-T105 PolarHBondContact O-OG1 3.02Å; T102-T105 PolarHBondContact O-N 3.24Å; C103-T105 VanDerWaalsContact C-N 3.34Å; C103-T105 PolarHBondContact O-N 2.89Å; T105-I108 PolarHBondContact O-N 3.48Å; T105-T109 HydrophobicContact CG2-CG2 4.4Å; T105-T109 WeakPolarHBondContact O-CB 3.35Å; T105-T109 WeakPolarHBondContact O-CG2 3.06Å; T105-T109 PolarHBondContact O-N 3.22Å; T105-T109 PolarHBondContact O-OG1 3.33Å
106V84.1Confident85.2Confident16 Ų1649.8 Ų49.810%0.09730%0.297CS..Hα-helixtrans-63.4-45.5177.3178.50000110.8M4 C8 F68 T102 C103 A104 T109 S110M4-V106 HydrophobicContact CE-CG1 4.36Å; C8-V106 WeakPolarHBondContact SG-CG1 2.83Å; F68-V106 HydrophobicContact CE1-CG2 4.3Å; F68-V106 VanDerWaalsContact CE2-CA 3.46Å; F68-V106 HydrophobicContact CE2-CB 3.98Å; F68-V106 HydrophobicContact CE2-CG2 3.51Å; F68-V106 HydrophobicContact CZ-CB 3.56Å; F68-V106 HydrophobicContact CZ-CG1 3.92Å; F68-V106 HydrophobicContact CZ-CG2 3.19Å; T102-V106 HydrophobicContact CG2-CG2 4.38Å; T102-V106 WeakPolarHBondContact O-CG2 3.32Å; T102-V106 PolarHBondContact O-N 2.94Å; C103-V106 PolarHBondContact O-N 3.42Å; A104-V106 VanDerWaalsContact C-N 3.32Å; A104-V106 PolarHBondContact O-N 3.45Å; V106-T109 PolarHBondContact O-OG1 3.17Å; V106-S110 WeakPolarHBondContact O-CB 3.32Å; V106-S110 PolarHBondContact O-N 2.99Å; V106-S110 PolarHBondContact O-OG 3.49Å
107A86.9Confident84.6Confident25 Ų2556.6 Ų56.621%0.20732%0.323CS..Hα-helixtrans-63.2-45.1179.500000111.5L5 C103 A104 T111L5-A107 HydrophobicContact CD2-CB 4.41Å; C103-A107 WeakPolarHBondContact O-CB 3.49Å; C103-A107 PolarHBondContact O-N 2.83Å; A104-A107 PolarHBondContact O-N 3.16Å; A107-T111 WeakPolarHBondContact O-CB 3.41Å; A107-T111 PolarHBondContact O-N 2.84Å; A107-T111 PolarHBondContact O-OG1 3.11Å
108I84.8Confident84.2Confident107 Ų10754.9 Ų54.955%0.54932%0.319SS..Hα-helixtrans-63.4-53.9179.6-68.2164.6000110.7A104 T105 S110 T111 L112A104-I108 WeakPolarHBondContact O-CD1 3.44Å; A104-I108 VanDerWaalsContact O-CG1 3.24Å; A104-I108 WeakPolarHBondContact O-CG1 3.39Å; A104-I108 PolarHBondContact O-N 3.46Å; T105-I108 PolarHBondContact O-N 3.48Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 3.47Å; I108-T111 PolarHBondContact O-N 3.24Å; I108-T111 VanDerWaalsContact O-N 3.15Å; I108-L112 HydrophobicContact CG2-CD1 4.15Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 3.42Å
109T80.2Confident83.6Confident58 Ų5856.4 Ų56.436%0.35633%0.327SS..Hα-helixtrans-62.9-38.4-179.153.20000111.7T105 V106 L112 A113T105-T109 HydrophobicContact CG2-CG2 4.4Å; T105-T109 WeakPolarHBondContact O-CB 3.35Å; T105-T109 WeakPolarHBondContact O-CG2 3.06Å; T105-T109 PolarHBondContact O-N 3.22Å; T105-T109 PolarHBondContact O-OG1 3.33Å; V106-T109 PolarHBondContact O-OG1 3.17Å; T109-L112 PolarHBondContact O-N 3.25Å; T109-A113 PolarHBondContact O-N 3.01Å
110S81.8Confident83.1Confident14 Ų1457.2 Ų57.210%0.09833%0.329CS..Hα-helixtrans-63.8-44.1174-660000111.5M1 V106 I108 L112 A113 T114M1-S110 VanDerWaalsContact CE-CB 3.47Å; M1-S110 WeakPolarHBondContact CE-O 3.41Å; V106-S110 WeakPolarHBondContact O-CB 3.32Å; V106-S110 PolarHBondContact O-N 2.99Å; V106-S110 PolarHBondContact O-OG 3.49Å; I108-S110 VanDerWaalsContact C-N 3.29Å; I108-S110 PolarHBondContact O-N 3.47Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.19Å; S110-A113 PolarHBondContact O-N 3.42Å; S110-T114 WeakPolarHBondContact O-CB 3.34Å; S110-T114 PolarHBondContact O-N 3.15Å; S110-T114 PolarHBondContact O-OG1 3.44Å
111T81.9Confident82.6Confident69 Ų6961.4 Ų61.442%0.42335%0.351SS..Hα-helixtrans-62.8-43.9179.3-57.10000110.8A107 I108 A113 T114 T115A107-T111 WeakPolarHBondContact O-CB 3.41Å; A107-T111 PolarHBondContact O-N 2.84Å; A107-T111 PolarHBondContact O-OG1 3.11Å; I108-T111 PolarHBondContact O-N 3.24Å; I108-T111 VanDerWaalsContact O-N 3.15Å; T111-A113 VanDerWaalsContact C-N 3.34Å; T111-A113 PolarHBondContact O-N 3.26Å; T111-T114 WeakPolarHBondContact O-CB 3.48Å; T111-T114 PolarHBondContact O-N 3.46Å; T111-T114 VanDerWaalsContact O-N 3.14Å; T111-T115 PolarHBondContact O-N 3.08Å
112L81.1Confident82.5Confident107 Ų10765.2 Ų65.256%0.5637%0.368SS*.Hα-helixtrans-63.4-35.9176.3-68.6173.5000113.3I108 T109 S110 T115I108-L112 HydrophobicContact CG2-CD1 4.15Å; I108-L112 WeakPolarHBondContact O-CG 3.42Å; I108-L112 PolarHBondContact O-N 3.42Å; T109-L112 PolarHBondContact O-N 3.25Å; S110-L112 VanDerWaalsContact C-N 3.34Å; S110-L112 PolarHBondContact O-N 3.19Å; L112-T115 PolarHBondContact O-OG1 3.44Å
113A78Confident82.4Confident33 Ų3370.3 Ų70.327%0.27339%0.391SS..Hα-helixtrans-72.6-35.7173.400000111.6M1 T109 S110 T111 T115 N116 Y117M1-A113 HydrophobicContact CE-CB 3.99Å; M1-A113 HydrophobicContact SD-CB 4.37Å; T109-A113 PolarHBondContact O-N 3.01Å; S110-A113 PolarHBondContact O-N 3.42Å; T111-A113 VanDerWaalsContact C-N 3.34Å; T111-A113 PolarHBondContact O-N 3.26Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.46Å; A113-N116 PolarHBondContact O-N 3.43Å; A113-Y117 HydrophobicContact CB-CE2 4.33Å; A113-Y117 WeakPolarHBondContact O-CD2 3.47Å; A113-Y117 PolarHBondContact O-N 2.98Å
114T81Confident82.1Confident39 Ų3971.6 Ų71.624%0.23940%0.403CS..Hα-helixtrans-61.6-40.8177.2-53.50000111.6M1 S110 T111 N116 Y117 L118M1-T114 WeakPolarHBondContact CE-OG1 3.46Å; M1-T114 PolarHBondContact SD-OG1 3.09Å; S110-T114 WeakPolarHBondContact O-CB 3.34Å; S110-T114 PolarHBondContact O-N 3.15Å; S110-T114 PolarHBondContact O-OG1 3.44Å; T111-T114 WeakPolarHBondContact O-CB 3.48Å; T111-T114 PolarHBondContact O-N 3.46Å; T111-T114 VanDerWaalsContact O-N 3.14Å; T114-N116 VanDerWaalsContact C-N 3.27Å; T114-N116 PolarHBondContact O-N 2.85Å; T114-Y117 PolarHBondContact O-N 3.15Å; T114-Y117 VanDerWaalsContact O-N 3.15Å; T114-L118 HydrophobicContact CG2-CD1 4.05Å; T114-L118 HydrophobicContact CG2-CG 4.17Å; T114-L118 WeakPolarHBondContact O-CB 3.37Å; T114-L118 WeakPolarHBondContact O-CG 3.5Å; T114-L118 PolarHBondContact O-N 3.2Å
115T79Confident81.8Confident65 Ų6572.5 Ų72.540%0.39940%0.403SS..Hα-helixtrans-62.3-35.8178.754.70000112.3T111 L112 A113 L118 T119T111-T115 PolarHBondContact O-N 3.08Å; L112-T115 PolarHBondContact O-OG1 3.44Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.46Å; T115-L118 PolarHBondContact O-N 3.14Å; T115-T119 PolarHBondContact O-N 2.85Å; T115-T119 PolarHBondContact O-OG1 2.99Å
116N72.9Confident81.5Confident110 Ų11070.3 Ų70.359%0.58839%0.391SS*.Hα-helixtrans-65.5-44.3173.8-67.2-27000111.4A113 T114 T119 V120A113-N116 PolarHBondContact O-N 3.43Å; T114-N116 VanDerWaalsContact C-N 3.27Å; T114-N116 PolarHBondContact O-N 2.85Å; N116-T119 WeakPolarHBondContact O-CB 3.5Å; N116-T119 PolarHBondContact O-N 3.04Å; N116-V120 PolarHBondContact O-N 2.96Å
117Y78.7Confident81.1Confident144 Ų14479.5 Ų79.557%0.56543%0.429SS*.Hα-helixtrans-66-37.8176.2-66.2-58.5000112.7M1 A113 T114 T119 V120 L121M1-Y117 HydrophobicContact SD-CD2 3.86Å; M1-Y117 HydrophobicContact SD-CE2 3.98Å; A113-Y117 HydrophobicContact CB-CE2 4.33Å; A113-Y117 WeakPolarHBondContact O-CD2 3.47Å; A113-Y117 PolarHBondContact O-N 2.98Å; T114-Y117 PolarHBondContact O-N 3.15Å; T114-Y117 VanDerWaalsContact O-N 3.15Å; Y117-T119 VanDerWaalsContact C-N 3.29Å; Y117-T119 PolarHBondContact O-N 2.81Å; Y117-V120 WeakPolarHBondContact O-CB 3.41Å; Y117-V120 PolarHBondContact O-N 3.35Å; Y117-L121 WeakPolarHBondContact O-CB 3.46Å; Y117-L121 WeakPolarHBondContact O-CG 3.34Å; Y117-L121 PolarHBondContact O-N 2.74Å
118L82.7Confident80.4Confident83 Ų8387.3 Ų87.344%0.43546%0.462SS..Hα-helixtrans-62.3-38.6174.7-75172000111.6T114 T115 V120 L121 L122T114-L118 HydrophobicContact CG2-CD1 4.05Å; T114-L118 HydrophobicContact CG2-CG 4.17Å; T114-L118 WeakPolarHBondContact O-CB 3.37Å; T114-L118 WeakPolarHBondContact O-CG 3.5Å; T114-L118 PolarHBondContact O-N 3.2Å; T115-L118 PolarHBondContact O-N 3.14Å; L118-V120 VanDerWaalsContact C-N 3.28Å; L118-V120 PolarHBondContact O-N 3.22Å; L118-L121 PolarHBondContact O-N 3Å; L118-L122 VanDerWaalsContact O-CB 3.27Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 VanDerWaalsContact O-CG 3.23Å; L118-L122 WeakPolarHBondContact O-CG 3.28Å; L118-L122 PolarHBondContact O-N 2.84Å
119T77.4Confident79.8Confident48 Ų4883 Ų8329%0.29444%0.439SS..Hα-helixtrans-59.2-42.8175.6-53.70000110.7T115 N116 Y117 M123 A124T115-T119 PolarHBondContact O-N 2.85Å; T115-T119 PolarHBondContact O-OG1 2.99Å; N116-T119 WeakPolarHBondContact O-CB 3.5Å; N116-T119 PolarHBondContact O-N 3.04Å; Y117-T119 VanDerWaalsContact C-N 3.29Å; Y117-T119 PolarHBondContact O-N 2.81Å; T119-M123 PolarHBondContact O-N 2.71Å; T119-A124 HydrophobicContact CG2-CB 3.76Å; T119-A124 WeakPolarHBondContact O-CB 3.5Å; T119-A124 PolarHBondContact O-N 2.85Å
120V80Confident79.6Confident45 Ų4582.6 Ų82.627%0.27344%0.441SS..Hα-helixtrans-65.9-49.3175.2172.30000111.3N116 Y117 L118 L122 M123N116-V120 PolarHBondContact O-N 2.96Å; Y117-V120 WeakPolarHBondContact O-CB 3.41Å; Y117-V120 PolarHBondContact O-N 3.35Å; L118-V120 VanDerWaalsContact C-N 3.28Å; L118-V120 PolarHBondContact O-N 3.22Å; V120-L122 VanDerWaalsContact C-N 3.3Å; V120-L122 PolarHBondContact O-N 2.96Å; V120-M123 WeakPolarHBondContact O-CA 3.32Å; V120-M123 PolarHBondContact O-N 3.35Å
121L83.6Confident79.4Confident134 Ų13483.9 Ų83.970%0.70245%0.447SS*.Hα-helixtrans-63.6-34.5-178.1-73.4170.8000113.2Y117 L118 M123Y117-L121 WeakPolarHBondContact O-CB 3.46Å; Y117-L121 WeakPolarHBondContact O-CG 3.34Å; Y117-L121 PolarHBondContact O-N 2.74Å; L118-L121 PolarHBondContact O-N 3Å; L121-M123 PolarHBondContact O-N 3.43Å
122L87.8Confident79.3Confident131 Ų13184.7 Ų84.769%0.68646%0.46SS*.THydrogen-bonded Turntrans-802.1175.7-66.6172.7000112.5L118 V120 A124L118-L122 VanDerWaalsContact O-CB 3.27Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 VanDerWaalsContact O-CG 3.23Å; L118-L122 WeakPolarHBondContact O-CG 3.28Å; L118-L122 PolarHBondContact O-N 2.84Å; V120-L122 VanDerWaalsContact C-N 3.3Å; V120-L122 PolarHBondContact O-N 2.96Å; L122-A124 PolarHBondContact O-N 3.32Å; L122-A124 VanDerWaalsContact O-N 3.14Å
123M84.9Confident79.2Confident125 Ų12585 Ų8562%0.61646%0.459SS*.THydrogen-bonded Turntrans51.634.1-174.4-57.6-178-67.400112T119 V120 L121 W150T119-M123 PolarHBondContact O-N 2.71Å; V120-M123 WeakPolarHBondContact O-CA 3.32Å; V120-M123 PolarHBondContact O-N 3.35Å; L121-M123 PolarHBondContact O-N 3.43Å; M123-W150 HydrophobicContact CB-CB 3.79Å; M123-W150 HydrophobicContact CB-CG 4.27Å; M123-W150 HydrophobicContact CG-CB 4.45Å; M123-W150 HydrophobicContact CG-CG 4.5Å
124A83.5Confident79.1Confident38 Ų3883.8 Ų83.831%0.31445%0.448SS..PPolyproline II helixtrans-72.2151.7-179.100000110.3T119 L122 P126T119-A124 HydrophobicContact CG2-CB 3.76Å; T119-A124 WeakPolarHBondContact O-CB 3.5Å; T119-A124 PolarHBondContact O-N 2.85Å; L122-A124 PolarHBondContact O-N 3.32Å; L122-A124 VanDerWaalsContact O-N 3.14Å; A124-P126 WeakPolarHBondContact O-CD 3.49Å
125V83.6Confident78.8Confident64 Ų6483.4 Ų83.439%0.38845%0.446SS..PPolyproline II helixtrans-62.9121.5178.3-177.60000108.7K127 L131V125-K127 PolarHBondContact O-N 3.46Å; V125-L131 HydrophobicContact CG1-CB 4.12Å; V125-L131 HydrophobicContact CG1-CD2 4.1Å; V125-L131 HydrophobicContact CG2-CD2 3.87Å
126P78.1Confident78.8Confident22 Ų2283.5 Ų83.514%0.14345%0.45CS..PPolyproline II helixtrans-65.8133.6-178.819.3-24.3000110.1A124 Q128 F129 A151 L157A124-P126 WeakPolarHBondContact O-CD 3.49Å; P126-Q128 PolarHBondContact O-N 3.29Å; P126-F129 HydrophobicContact CG-CB 4.21Å; P126-F129 WeakPolarHBondContact O-CB 3.45Å; P126-F129 PolarHBondContact O-N 2.95Å; P126-A151 HydrophobicContact CB-CB 4.45Å; P126-A151 HydrophobicContact CG-CB 4.2Å; P126-L157 HydrophobicContact CB-CD2 4.23Å; P126-L157 HydrophobicContact CG-CD2 3.25Å
127K75.2Confident78.8Confident208 Ų20881.5 Ų81.590%0.90444%0.437SS*.THydrogen-bonded Turntrans-55.5-23-175.1-65.3-175.8179.2-178.40114.8V125 F129V125-K127 PolarHBondContact O-N 3.46Å; K127-F129 VanDerWaalsContact C-N 3.27Å
128Q71.6Confident78.5Confident190 Ų19075.1 Ų75.189%0.88841%0.412SS*.THydrogen-bonded Turntrans-77.7-15.4-179.2-56.1176.616.300112.3P126P126-Q128 PolarHBondContact O-N 3.29Å
129F72.7Confident77.8Confident17 Ų1778.3 Ų78.38%0.07543%0.425CS..SBendtrans-95.1115-176.4-160.5-98.1000109.8P126 K127 L131 I134 V149 L157 L159 H185P126-F129 HydrophobicContact CG-CB 4.21Å; P126-F129 WeakPolarHBondContact O-CB 3.45Å; P126-F129 PolarHBondContact O-N 2.95Å; K127-F129 VanDerWaalsContact C-N 3.27Å; F129-L131 HydrophobicContact CD1-CB 4.16Å; F129-L131 HydrophobicContact CD1-CD1 4.3Å; F129-L131 HydrophobicContact CE1-CD1 4.08Å; F129-L131 PolarHBondContact O-N 3.36Å; F129-I134 HydrophobicContact CD1-CD1 4.03Å; F129-I134 HydrophobicContact CD2-CD1 4.47Å; F129-I134 HydrophobicContact CE1-CD1 3.3Å; F129-I134 HydrophobicContact CE2-CD1 3.83Å; F129-I134 HydrophobicContact CZ-CD1 3.2Å; F129-V149 HydrophobicContact CD1-CB 4.33Å; F129-V149 HydrophobicContact CD1-CG1 3.86Å; F129-V149 HydrophobicContact CD1-CG2 4.13Å; F129-V149 HydrophobicContact CE1-CB 4.33Å; F129-V149 HydrophobicContact CE1-CG1 3.98Å; F129-V149 HydrophobicContact CE1-CG2 3.68Å; F129-V149 HydrophobicContact CG-CG1 4.12Å; F129-V149 HydrophobicContact CZ-CG1 4.36Å; F129-V149 HydrophobicContact CZ-CG2 4.33Å; F129-L157 HydrophobicContact CD2-CD1 4.12Å; F129-L159 HydrophobicContact CE1-CD1 4.27Å; F129-L159 HydrophobicContact CZ-CD1 3.91Å; F129-H185 VanDerWaalsContact CE2-O 3.31Å; F129-H185 WeakPolarHBondContact CE2-O 3.29Å
130A75.8Confident77.2Confident49 Ų4979.9 Ų79.941%0.40544%0.443SS..  trans-75.864.8178.600000111.1A132 E133 I134A130-A132 PolarHBondContact O-N 3.4Å; A130-E133 HydrophobicContact CB-CB 4.05Å; A130-E133 PolarHBondContact O-N 3.26Å; A130-I134 PolarHBondContact O-N 3.27Å; A130-I134 VanDerWaalsContact O-N 3.08Å
131L77.9Confident76.4Confident41 Ų4183.9 Ų83.922%0.21546%0.463CS..Hα-helixtrans-54.8-40.3-175.4-175.965.6000112V125 F129 E133 I134 C135 V147 V149V125-L131 HydrophobicContact CG1-CB 4.12Å; V125-L131 HydrophobicContact CG1-CD2 4.1Å; V125-L131 HydrophobicContact CG2-CD2 3.87Å; F129-L131 HydrophobicContact CD1-CB 4.16Å; F129-L131 HydrophobicContact CD1-CD1 4.3Å; F129-L131 HydrophobicContact CE1-CD1 4.08Å; F129-L131 PolarHBondContact O-N 3.36Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 2.93Å; L131-I134 PolarHBondContact O-N 3.05Å; L131-C135 WeakPolarHBondContact O-CB 3.45Å; L131-C135 PolarHBondContact O-N 3.46Å; L131-C135 PolarHBondContact O-SG 2.9Å; L131-V147 HydrophobicContact CD1-CG1 3.93Å; L131-V149 HydrophobicContact CD1-CG2 3.68Å
132A79.3Confident75.5Confident85 Ų8579 Ų7970%0.70244%0.436SS*.Hα-helixtrans-63.7-36.8-179.800000113A130 S136A130-A132 PolarHBondContact O-N 3.4Å; A132-S136 WeakPolarHBondContact O-CB 3.31Å; A132-S136 PolarHBondContact O-N 3.02Å; A132-S136 PolarHBondContact O-OG 3.34Å
133E79.6Confident74.8Confident113 Ų11377.2 Ų77.253%0.52843%0.427SS..Hα-helixtrans-73.2-40.8178.1-175.6176.4-174.400111.3A130 L131 S136 Q137A130-E133 HydrophobicContact CB-CB 4.05Å; A130-E133 PolarHBondContact O-N 3.26Å; L131-E133 VanDerWaalsContact C-N 3.32Å; L131-E133 PolarHBondContact O-N 2.93Å; E133-S136 PolarHBondContact O-N 3.44Å; E133-S136 PolarHBondContact O-OG 2.83Å; E133-Q137 WeakPolarHBondContact O-CG 3.23Å; E133-Q137 PolarHBondContact O-N 3.04Å
134I75.6Confident74.3Confident8 Ų871.8 Ų71.84%0.04140%0.401CS..Hα-helixtrans-64.6-47.8176.1-68167.5000109.5F129 A130 L131 S136 Q137 F138 L182 H185F129-I134 HydrophobicContact CD1-CD1 4.03Å; F129-I134 HydrophobicContact CD2-CD1 4.47Å; F129-I134 HydrophobicContact CE1-CD1 3.3Å; F129-I134 HydrophobicContact CE2-CD1 3.83Å; F129-I134 HydrophobicContact CZ-CD1 3.2Å; A130-I134 PolarHBondContact O-N 3.27Å; A130-I134 VanDerWaalsContact O-N 3.08Å; L131-I134 PolarHBondContact O-N 3.05Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.19Å; I134-Q137 PolarHBondContact O-N 3.36Å; I134-F138 HydrophobicContact CG2-CD2 3.55Å; I134-F138 HydrophobicContact CG2-CE2 3.7Å; I134-F138 WeakPolarHBondContact O-CB 3.27Å; I134-F138 VanDerWaalsContact O-CD2 3.23Å; I134-F138 WeakPolarHBondContact O-CD2 3.32Å; I134-F138 PolarHBondContact O-N 2.85Å; I134-L182 HydrophobicContact CG2-CD2 4.48Å; I134-H185 HydrophobicContact CD1-CB 3.83Å; I134-H185 HydrophobicContact CG1-CB 4.16Å
135C76Confident74.1Confident32 Ų3272.2 Ų72.222%0.21640%0.396CS..Hα-helixtrans-58.7-41.6176.6-70.50000112.1L131 F138 E139L131-C135 WeakPolarHBondContact O-CB 3.45Å; L131-C135 PolarHBondContact O-N 3.46Å; L131-C135 PolarHBondContact O-SG 2.9Å; C135-F138 PolarHBondContact O-N 3.29Å; C135-E139 WeakPolarHBondContact O-CB 3.4Å; C135-E139 WeakPolarHBondContact O-CG 3.21Å; C135-E139 PolarHBondContact O-N 3.14Å
136S78.5Confident74.1Confident67 Ų6775 Ų7547%0.46940%0.404SS..Hα-helixtrans-68.9-38.1-179.968.90000113.2A132 E133 I134 F138 A140A132-S136 WeakPolarHBondContact O-CB 3.31Å; A132-S136 PolarHBondContact O-N 3.02Å; A132-S136 PolarHBondContact O-OG 3.34Å; E133-S136 PolarHBondContact O-N 3.44Å; E133-S136 PolarHBondContact O-OG 2.83Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.19Å; S136-F138 VanDerWaalsContact C-N 3.3Å; S136-A140 PolarHBondContact O-N 3.31Å
137Q72.1Confident74.4Confident67 Ų6775.6 Ų75.631%0.31341%0.408SS..Hα-helixtrans-69.3-30.1174.7-69.5-176.422.100112.5E133 I134 N141 F181E133-Q137 WeakPolarHBondContact O-CG 3.23Å; E133-Q137 PolarHBondContact O-N 3.04Å; I134-Q137 PolarHBondContact O-N 3.36Å; Q137-N141 PolarHBondContact O-ND2 2.85Å; Q137-F181 HydrophobicContact CB-CZ 4.36Å
138F72.9Confident74.9Confident11 Ų1174 Ų745%0.04840%0.396CS..Hα-helixtrans-79.2-47177.7-91.7-67.8000113.2I134 C135 S136 A140 N141 E142 L144 I178 F181 L182I134-F138 HydrophobicContact CG2-CD2 3.55Å; I134-F138 HydrophobicContact CG2-CE2 3.7Å; I134-F138 WeakPolarHBondContact O-CB 3.27Å; I134-F138 VanDerWaalsContact O-CD2 3.23Å; I134-F138 WeakPolarHBondContact O-CD2 3.32Å; I134-F138 PolarHBondContact O-N 2.85Å; C135-F138 PolarHBondContact O-N 3.29Å; S136-F138 VanDerWaalsContact C-N 3.3Å; F138-A140 PolarHBondContact O-N 3.01Å; F138-A140 VanDerWaalsContact O-N 3.14Å; F138-N141 PolarHBondContact O-N 3.38Å; F138-E142 PolarHBondContact O-N 3.04Å; F138-L144 HydrophobicContact CB-CB 4.21Å; F138-L144 HydrophobicContact CB-CD2 4.28Å; F138-L144 HydrophobicContact CD1-CB 4.49Å; F138-L144 HydrophobicContact CD1-CD1 3.76Å; F138-L144 HydrophobicContact CD1-CD2 3.98Å; F138-L144 HydrophobicContact CD1-CG 4.31Å; F138-L144 HydrophobicContact CD2-CD2 4.35Å; F138-L144 HydrophobicContact CE1-CD1 4.03Å; F138-L144 HydrophobicContact CE1-CD2 4.38Å; F138-L144 HydrophobicContact CG-CD2 3.95Å; F138-I178 HydrophobicContact CE1-CG2 4.21Å; F138-F181 HydrophobicContact CD2-CD1 4.3Å; F138-F181 AromaticContact CD2-CE1 3.78Å; F138-F181 HydrophobicContact CD2-CE1 3.78Å; F138-F181 AromaticContact CE1-CD1 3.97Å; F138-F181 HydrophobicContact CE1-CD1 3.97Å; F138-F181 HydrophobicContact CE1-CE1 4.23Å; F138-F181 HydrophobicContact CE1-CG 4.5Å; F138-F181 AromaticContact CE2-CD1 3.2Å; F138-F181 HydrophobicContact CE2-CD1 3.2Å; F138-F181 AromaticContact CE2-CE1 3.05Å; F138-F181 HydrophobicContact CE2-CE1 3.05Å; F138-F181 HydrophobicContact CE2-CG 4.38Å; F138-F181 HydrophobicContact CE2-CZ 4.16Å; F138-F181 HydrophobicContact CZ-CB 4.32Å; F138-F181 AromaticContact CZ-CD1 2.99Å; F138-F181 HydrophobicContact CZ-CD1 2.99Å; F138-F181 AromaticContact CZ-CE1 3.34Å; F138-F181 HydrophobicContact CZ-CE1 3.34Å; F138-F181 AromaticContact CZ-CG 3.83Å; F138-F181 HydrophobicContact CZ-CG 3.83Å; F138-F181 HydrophobicContact CZ-CZ 4.37Å; F138-L182 HydrophobicContact CD2-CD2 4.3Å; F138-L182 HydrophobicContact CE2-CD2 3.26Å; F138-L182 HydrophobicContact CE2-CG 3.98Å; F138-L182 HydrophobicContact CZ-CD1 4.37Å; F138-L182 HydrophobicContact CZ-CD2 3.48Å; F138-L182 VanDerWaalsContact CZ-CD2 3.48Å; F138-L182 HydrophobicContact CZ-CG 3.66Å
139E68.7Low75.6Confident149 Ų14965.1 Ų65.170%0.69636%0.355SS*.Hα-helixtrans-56.9-30.3177.5-77.9-179.9177.100112C135C135-E139 WeakPolarHBondContact O-CB 3.4Å; C135-E139 WeakPolarHBondContact O-CG 3.21Å; C135-E139 PolarHBondContact O-N 3.14Å
140A63.6Low76.4Confident82 Ų8267.5 Ų67.568%0.67836%0.364SS*.THydrogen-bonded Turntrans-72.7-27.8176.900000114S136 F138S136-A140 PolarHBondContact O-N 3.31Å; F138-A140 PolarHBondContact O-N 3.01Å; F138-A140 VanDerWaalsContact O-N 3.14Å
141N63.1Low76.8Confident129 Ų12965.7 Ų65.769%0.6935%0.348SS*.THydrogen-bonded Turntrans-113-32.2-169.5-72.5-49.5000113.5Q137 F138Q137-N141 PolarHBondContact O-ND2 2.85Å; F138-N141 PolarHBondContact O-N 3.38Å
142E64.4Low76.8Confident30 Ų3068.7 Ų68.714%0.1437%0.365CS..SBendtrans-142.2148.6-173.9-61-141.8143.800111.4F138 L144 R174 I178F138-E142 PolarHBondContact O-N 3.04Å; E142-L144 HydrophobicContact CB-CD1 4.26Å; E142-L144 PolarHBondContact O-N 2.95Å; E142-R174 IonicContact OE1-NH1 2.7Å; E142-R174 PolarHBondContact OE1-NH1 2.94Å; E142-R174 VanDerWaalsContact OE1-NH1 3.12Å; E142-I178 WeakPolarHBondContact OE2-CD1 3.48Å; E142-I178 WeakPolarHBondContact OE2-CG1 3.27Å
143N74.4Confident76.5Confident94 Ų9466.1 Ų66.150%0.50335%0.347SS..  trans-73.558.7175.1-71.8-32.7000110.8R164N143-R164 HydrophobicContact CB-CB 3.74Å; N143-R164 PolarHBondContact O-N 3.44Å
144L73.2Confident75.9Confident12 Ų1267.8 Ų67.86%0.06336%0.359CS..EExtended strand (participates in β ladder)trans-84.6129.6175.4-124.397.7000109.1F138 E142 V147 A161 H162 V163 I178F138-L144 HydrophobicContact CB-CB 4.21Å; F138-L144 HydrophobicContact CB-CD2 4.28Å; F138-L144 HydrophobicContact CD1-CB 4.49Å; F138-L144 HydrophobicContact CD1-CD1 3.76Å; F138-L144 HydrophobicContact CD1-CD2 3.98Å; F138-L144 HydrophobicContact CD1-CG 4.31Å; F138-L144 HydrophobicContact CD2-CD2 4.35Å; F138-L144 HydrophobicContact CE1-CD1 4.03Å; F138-L144 HydrophobicContact CE1-CD2 4.38Å; F138-L144 HydrophobicContact CG-CD2 3.95Å; E142-L144 HydrophobicContact CB-CD1 4.26Å; E142-L144 PolarHBondContact O-N 2.95Å; L144-V147 HydrophobicContact CD2-CG2 3.85Å; L144-A161 HydrophobicContact CD2-CB 3.62Å; L144-A161 HydrophobicContact CG-CB 4.22Å; L144-H162 CarbonylContact C-O 3.57Å; L144-H162 WeakPolarHBondContact CA-O 3.37Å; L144-V163 HydrophobicContact CD1-CB 4.16Å; L144-V163 HydrophobicContact CD1-CG1 3.87Å; L144-V163 HydrophobicContact CD1-CG2 3.4Å; L144-V163 VanDerWaalsContact CD1-CG2 3.4Å; L144-V163 HydrophobicContact CG-CG2 3.84Å; L144-I178 HydrophobicContact CD1-CG2 4.32Å
145H80Confident75.7Confident46 Ų4673.8 Ų73.821%0.21339%0.386CS..EExtended strand (participates in β ladder)trans-142.6168175.460.4-67.1000110.6V147 H162 E195H145-V147 VanDerWaalsContact C-N 3.31Å; H145-V147 PolarHBondContact O-N 2.84Å; H145-H162 PolarHBondContact N-O 2.87Å; H145-H162 WeakPolarHBondContact O-CA 3.37Å; H145-H162 WeakPolarHBondContact O-CB 3.32Å; H145-H162 PolarHBondContact O-N 3.02Å; H145-H162 VanDerWaalsContact O-O 3.1Å; H145-E195 VanDerWaalsContact CE1-CD 3.47Å; H145-E195 IonicContact CE1-OE1 2.75Å; H145-E195 IonicContact CE1-OE2 3.18Å; H145-E195 PolarHBondContact CE1-OE2 2.8Å; H145-E195 IonicContact NE2-OE1 3.78Å; H145-E195 PolarHBondContact NE2-OE1 2.83Å; H145-E195 IonicContact NE2-OE2 3.01Å; H145-E195 PolarHBondContact NE2-OE2 3.01Å
146H83.1Confident75.8Confident122 Ų12274.8 Ų74.857%0.56539%0.389SS*.EExtended strand (participates in β ladder)trans51.643.9-177.7-63.2-56.8000114.8R148 H162H146-R148 PolarHBondContact O-N 2.97Å; H146-H162 HydrophobicContact CB-CB 4.44Å
147V84.2Confident76.1Confident35 Ų3573.3 Ų73.321%0.21238%0.376CS..EExtended strand (participates in β ladder)trans-67.1125.7174.8-171.40000110.1L131 L144 H145 V149 L159 S160 A161L131-V147 HydrophobicContact CD1-CG1 3.93Å; L144-V147 HydrophobicContact CD2-CG2 3.85Å; H145-V147 VanDerWaalsContact C-N 3.31Å; H145-V147 PolarHBondContact O-N 2.84Å; V147-V149 HydrophobicContact CG1-CG2 4.2Å; V147-L159 HydrophobicContact CG1-CD1 4.35Å; V147-L159 HydrophobicContact CG1-CG 4.35Å; V147-S160 CarbonylContact C-O 3.6Å; V147-S160 WeakPolarHBondContact CA-O 3.44Å; V147-A161 HydrophobicContact CG2-CB 4.14Å
148R85.7Confident76.9Confident174 Ų17470.5 Ų70.566%0.65736%0.363SS*.EExtended strand (participates in β ladder)trans-125132.7174.9-66.2-175.8-174.9179.12.8109.3H146 W150 L159 S160H146-R148 PolarHBondContact O-N 2.97Å; R148-W150 HydrophobicContact CB-CE3 4.35Å; R148-W150 HydrophobicContact CB-CZ3 4.14Å; R148-L159 CarbonylContact O-C 3.59Å; R148-L159 WeakPolarHBondContact O-CA 3.43Å; R148-S160 PolarHBondContact N-O 3.18Å; R148-S160 PolarHBondContact O-N 2.99Å
149V86.9Confident77.7Confident5 Ų570 Ų703%0.0336%0.361CS..EExtended strand (participates in β ladder)trans-131.8130.5179.3-176.70000108.9F129 L131 V147 N158 L159F129-V149 HydrophobicContact CD1-CB 4.33Å; F129-V149 HydrophobicContact CD1-CG1 3.86Å; F129-V149 HydrophobicContact CD1-CG2 4.13Å; F129-V149 HydrophobicContact CE1-CB 4.33Å; F129-V149 HydrophobicContact CE1-CG1 3.98Å; F129-V149 HydrophobicContact CE1-CG2 3.68Å; F129-V149 HydrophobicContact CG-CG1 4.12Å; F129-V149 HydrophobicContact CZ-CG1 4.36Å; F129-V149 HydrophobicContact CZ-CG2 4.33Å; L131-V149 HydrophobicContact CD1-CG2 3.68Å; V147-V149 HydrophobicContact CG1-CG2 4.2Å; V149-N158 VanDerWaalsContact CA-O 3.32Å; V149-N158 WeakPolarHBondContact CA-O 3.28Å; V149-L159 HydrophobicContact CG2-CB 4.23Å; V149-L159 HydrophobicContact CG2-CD1 3.69Å; V149-L159 HydrophobicContact CG2-CG 3.83Å
150W88.4Confident78.7Confident67 Ų6764.1 Ų64.125%0.25434%0.336SS..EExtended strand (participates in β ladder)trans-145.3153.9175.667.797.7000110.8M123 R148 N158M123-W150 HydrophobicContact CB-CB 3.79Å; M123-W150 HydrophobicContact CB-CG 4.27Å; M123-W150 HydrophobicContact CG-CB 4.45Å; M123-W150 HydrophobicContact CG-CG 4.5Å; R148-W150 HydrophobicContact CB-CE3 4.35Å; R148-W150 HydrophobicContact CB-CZ3 4.14Å; W150-N158 HydrophobicContact CD2-CB 3.81Å; W150-N158 VanDerWaalsContact CE2-CB 3.4Å; W150-N158 HydrophobicContact CE3-CB 4.37Å; W150-N158 HydrophobicContact CG-CB 4.22Å; W150-N158 HydrophobicContact CH2-CB 4.25Å; W150-N158 HydrophobicContact CZ2-CB 3.66Å; W150-N158 PolarHBondContact N-O 2.81Å; W150-N158 PolarHBondContact NE1-ND2 3.14Å; W150-N158 PolarHBondContact O-N 3.42Å
151A84.9Confident79.9Confident10 Ų1060.2 Ų60.28%0.08330%0.304CS..EExtended strand (participates in β ladder)trans-102.3142.5176.300000110.6P126 G153 I156 L157P126-A151 HydrophobicContact CB-CB 4.45Å; P126-A151 HydrophobicContact CG-CB 4.2Å; A151-G153 WeakPolarHBondContact CB-O 3.5Å; A151-I156 VanDerWaalsContact CA-O 3.28Å; A151-I156 WeakPolarHBondContact CA-O 3.27Å; A151-L157 HydrophobicContact CB-CD2 4.19Å
152D78.7Confident81.1Confident105 Ų10555.8 Ų55.856%0.56128%0.279SS*.SBendtrans-101.420170.1-162.514.6000111.4I156D152-I156 HydrophobicContact CB-CB 4.29Å; D152-I156 HydrophobicContact CB-CG2 4.31Å; D152-I156 PolarHBondContact N-O 2.81Å
153G72.8Confident82.1Confident31 Ų3154.4 Ų54.432%0.3227%0.273SS..SBendtrans146.6-164.4-173.800000111.7A151 H155A151-G153 WeakPolarHBondContact CB-O 3.5Å; G153-H155 VanDerWaalsContact C-N 3.28Å; G153-H155 PolarHBondContact O-N 2.95Å
154N67.4Low82.6Confident147 Ų14755.4 Ų55.479%0.78627%0.27SS*.SBendtrans-73.7-16.3-176.6-71.4-17.2000114.3
155H71.6Confident83.1Confident134 Ų13455.2 Ų55.262%0.6227%0.268SS*.SBendtrans-129.8-9.2-166.8-56-55000114.8G153 T188G153-H155 VanDerWaalsContact C-N 3.28Å; G153-H155 PolarHBondContact O-N 2.95Å; H155-T188 PolarHBondContact O-OG1 3.11Å
156I77.1Confident83.2Confident53 Ų5362 Ų6227%0.27229%0.292SS..  trans-111.8105.9-178.6-56178.8000107.9A151 D152A151-I156 VanDerWaalsContact CA-O 3.28Å; A151-I156 WeakPolarHBondContact CA-O 3.27Å; D152-I156 HydrophobicContact CB-CB 4.29Å; D152-I156 HydrophobicContact CB-CG2 4.31Å; D152-I156 PolarHBondContact N-O 2.81Å
157L84.4Confident83Confident37 Ų3758.8 Ų58.819%0.19428%0.283CS..EExtended strand (participates in β ladder)trans-99.8114.1172.4-72.5167.2000108.8P126 F129 A151 G186 T188 R189P126-L157 HydrophobicContact CB-CD2 4.23Å; P126-L157 HydrophobicContact CG-CD2 3.25Å; F129-L157 HydrophobicContact CD2-CD1 4.12Å; A151-L157 HydrophobicContact CB-CD2 4.19Å; L157-G186 VanDerWaalsContact CD1-O 3.28Å; L157-G186 WeakPolarHBondContact CD1-O 3.23Å; L157-T188 PolarHBondContact N-OG1 3.35Å; L157-T188 WeakPolarHBondContact O-CA 3.45Å; L157-T188 PolarHBondContact O-N 2.84Å; L157-R189 PolarHBondContact O-N 3.32Å
158N88.8Confident82.8Confident7 Ų761.6 Ų61.64%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-95.2132.8174.3-58.2-77.6000108.6V149 W150 R189V149-N158 VanDerWaalsContact CA-O 3.32Å; V149-N158 WeakPolarHBondContact CA-O 3.28Å; W150-N158 HydrophobicContact CD2-CB 3.81Å; W150-N158 VanDerWaalsContact CE2-CB 3.4Å; W150-N158 HydrophobicContact CE3-CB 4.37Å; W150-N158 HydrophobicContact CG-CB 4.22Å; W150-N158 HydrophobicContact CH2-CB 4.25Å; W150-N158 HydrophobicContact CZ2-CB 3.66Å; W150-N158 PolarHBondContact N-O 2.81Å; W150-N158 PolarHBondContact NE1-ND2 3.14Å; W150-N158 PolarHBondContact O-N 3.42Å; N158-R189 CarbonylContact C-O 3.58Å; N158-R189 WeakPolarHBondContact CA-O 3.36Å; N158-R189 WeakPolarHBondContact OD1-CB 3.27Å; N158-R189 WeakPolarHBondContact OD1-CD 3.39Å
159L89.7Confident82.5Confident1 Ų160 Ų601%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-127.2129.3174.7-176.7151000109F129 V147 R148 V149 A161 L182 A187 R189 V190 F191F129-L159 HydrophobicContact CE1-CD1 4.27Å; F129-L159 HydrophobicContact CZ-CD1 3.91Å; V147-L159 HydrophobicContact CG1-CD1 4.35Å; V147-L159 HydrophobicContact CG1-CG 4.35Å; R148-L159 CarbonylContact O-C 3.59Å; R148-L159 WeakPolarHBondContact O-CA 3.43Å; V149-L159 HydrophobicContact CG2-CB 4.23Å; V149-L159 HydrophobicContact CG2-CD1 3.69Å; V149-L159 HydrophobicContact CG2-CG 3.83Å; L159-A161 HydrophobicContact CD2-CB 4.06Å; L159-L182 HydrophobicContact CD1-CD2 3.66Å; L159-L182 HydrophobicContact CD2-CD1 3.83Å; L159-L182 HydrophobicContact CD2-CD2 3.85Å; L159-L182 HydrophobicContact CD2-CG 4.37Å; L159-L182 HydrophobicContact CG-CD2 4.43Å; L159-A187 HydrophobicContact CB-CB 3.94Å; L159-A187 HydrophobicContact CD1-CB 4.33Å; L159-R189 PolarHBondContact N-O 2.84Å; L159-V190 CarbonylContact O-C 3.58Å; L159-V190 WeakPolarHBondContact O-CA 3.36Å; L159-F191 PolarHBondContact O-N 3Å
160S90Very high82.3Confident26 Ų2660.9 Ų60.918%0.18230%0.296CS..EExtended strand (participates in β ladder)trans-119130.3171.3-172.40000108.7V147 R148 F191V147-S160 CarbonylContact C-O 3.6Å; V147-S160 WeakPolarHBondContact CA-O 3.44Å; R148-S160 PolarHBondContact N-O 3.18Å; R148-S160 PolarHBondContact O-N 2.99Å; S160-F191 CarbonylContact C-O 3.58Å; S160-F191 VanDerWaalsContact CA-O 3.27Å; S160-F191 WeakPolarHBondContact CA-O 3.5Å
161A88.3Confident82.1Confident0 Ų059.7 Ų59.70%029%0.292CS..EExtended strand (participates in β ladder)trans-139.7146.6176.900000110.9L144 V147 L159 F191 L192 Q193L144-A161 HydrophobicContact CD2-CB 3.62Å; L144-A161 HydrophobicContact CG-CB 4.22Å; V147-A161 HydrophobicContact CG2-CB 4.14Å; L159-A161 HydrophobicContact CD2-CB 4.06Å; A161-F191 PolarHBondContact N-O 2.89Å; A161-L192 HydrophobicContact CB-CD2 4.13Å; A161-L192 WeakPolarHBondContact O-CA 3.37Å; A161-Q193 PolarHBondContact O-N 2.96Å
162H88.7Confident81.9Confident35 Ų3562 Ų6216%0.16231%0.311CS..EExtended strand (participates in β ladder)trans-93.9137169.9-66.2-146.8000107.6L144 H145 H146 Q193 E195L144-H162 CarbonylContact C-O 3.57Å; L144-H162 WeakPolarHBondContact CA-O 3.37Å; H145-H162 PolarHBondContact N-O 2.87Å; H145-H162 WeakPolarHBondContact O-CA 3.37Å; H145-H162 WeakPolarHBondContact O-CB 3.32Å; H145-H162 PolarHBondContact O-N 3.02Å; H145-H162 VanDerWaalsContact O-O 3.1Å; H146-H162 HydrophobicContact CB-CB 4.44Å; H162-Q193 WeakPolarHBondContact CA-O 3.4Å; H162-E195 IonicContact CE1-OE1 3.91Å; H162-E195 IonicContact CG-OE1 3.12Å; H162-E195 IonicContact ND1-OE1 3.62Å; H162-E195 PolarHBondContact ND1-OE1 3.45Å
163V86.2Confident82.3Confident2 Ų263.2 Ų63.21%0.01231%0.314CS..EExtended strand (participates in β ladder)trans-130.7124.1-179.5-169.90000108.5L144 F165 I178 L192 Q193 E195L144-V163 HydrophobicContact CD1-CB 4.16Å; L144-V163 HydrophobicContact CD1-CG1 3.87Å; L144-V163 HydrophobicContact CD1-CG2 3.4Å; L144-V163 VanDerWaalsContact CD1-CG2 3.4Å; L144-V163 HydrophobicContact CG-CG2 3.84Å; V163-F165 HydrophobicContact CB-CD2 4.28Å; V163-F165 HydrophobicContact CB-CE2 3.46Å; V163-F165 VanDerWaalsContact CB-CE2 3.46Å; V163-F165 HydrophobicContact CB-CZ 3.7Å; V163-F165 HydrophobicContact CG1-CD2 4.26Å; V163-F165 HydrophobicContact CG1-CE1 3.92Å; V163-F165 HydrophobicContact CG1-CE2 3.55Å; V163-F165 HydrophobicContact CG1-CZ 3.34Å; V163-F165 HydrophobicContact CG2-CE2 4.47Å; V163-F165 HydrophobicContact CG2-CZ 4.49Å; V163-F165 VanDerWaalsContact O-CD2 3.27Å; V163-F165 WeakPolarHBondContact O-CD2 3.31Å; V163-F165 WeakPolarHBondContact O-CE2 3.19Å; V163-I178 HydrophobicContact CG1-CD1 4.29Å; V163-L192 HydrophobicContact CG2-CD2 3.99Å; V163-Q193 PolarHBondContact N-O 2.89Å; V163-E195 PolarHBondContact O-N 3.19Å
164R85.1Confident82.8Confident115 Ų11567.1 Ų67.143%0.43432%0.319SS..EExtended strand (participates in β ladder)trans-86120.9177.8-167177.3-70158.30.5110.7N143 E195 E197N143-R164 HydrophobicContact CB-CB 3.74Å; N143-R164 PolarHBondContact O-N 3.44Å; R164-E195 CarbonylContact C-O 3.51Å; R164-E195 VanDerWaalsContact CA-O 3.29Å; R164-E195 WeakPolarHBondContact CA-O 3.41Å; R164-E197 HydrophobicContact CG-CG 3.89Å
165F83.9Confident83.8Confident7 Ų762.3 Ų62.33%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-113.7150.8176.4-61.4-82.4000110.9V163 Y171 R174 I178 P194 E195 F196 E197V163-F165 HydrophobicContact CB-CD2 4.28Å; V163-F165 HydrophobicContact CB-CE2 3.46Å; V163-F165 VanDerWaalsContact CB-CE2 3.46Å; V163-F165 HydrophobicContact CB-CZ 3.7Å; V163-F165 HydrophobicContact CG1-CD2 4.26Å; V163-F165 HydrophobicContact CG1-CE1 3.92Å; V163-F165 HydrophobicContact CG1-CE2 3.55Å; V163-F165 HydrophobicContact CG1-CZ 3.34Å; V163-F165 HydrophobicContact CG2-CE2 4.47Å; V163-F165 HydrophobicContact CG2-CZ 4.49Å; V163-F165 VanDerWaalsContact O-CD2 3.27Å; V163-F165 WeakPolarHBondContact O-CD2 3.31Å; V163-F165 WeakPolarHBondContact O-CE2 3.19Å; F165-Y171 HydrophobicContact CD2-CD2 4.01Å; F165-Y171 HydrophobicContact CD2-CG 4.42Å; F165-Y171 HydrophobicContact CE1-CD2 4.43Å; F165-Y171 AromaticContact CE2-CD2 3.43Å; F165-Y171 HydrophobicContact CE2-CD2 3.43Å; F165-Y171 VanDerWaalsContact CE2-CD2 3.43Å; F165-Y171 HydrophobicContact CE2-CE2 4.28Å; F165-Y171 HydrophobicContact CE2-CG 4.24Å; F165-Y171 AromaticContact CZ-CD2 3.69Å; F165-Y171 HydrophobicContact CZ-CD2 3.69Å; F165-R174 HydrophobicContact CE1-CB 4.22Å; F165-I178 HydrophobicContact CE1-CD1 4.01Å; F165-I178 HydrophobicContact CZ-CD1 3.75Å; F165-P194 HydrophobicContact CD2-CB 3.85Å; F165-P194 HydrophobicContact CE2-CB 3.94Å; F165-E195 PolarHBondContact N-O 3.23Å; F165-F196 HydrophobicContact CB-CD1 4Å; F165-F196 HydrophobicContact CB-CE1 4.05Å; F165-F196 WeakPolarHBondContact O-CA 3.43Å; F165-E197 PolarHBondContact O-N 3.18Å
166R81Confident84.6Confident188 Ų18861.3 Ų61.371%0.70929%0.286SS*.SBendtrans-67.9-41.6172.2-68.5-174.9177.6173.80.3112.5
167C79.9Confident85.1Confident55 Ų5562.1 Ų62.137%0.37230%0.297SS..SBendtrans-155.8168.2-177.167.20000111.3K169 S170 Y171C167-K169 VanDerWaalsContact C-N 3.31Å; C167-K169 PolarHBondContact O-N 3.08Å; C167-S170 WeakPolarHBondContact O-CB 3.44Å; C167-S170 PolarHBondContact O-N 3.07Å; C167-Y171 PolarHBondContact O-N 3.45Å
168F78.8Confident85.2Confident94 Ų9460.5 Ų60.541%0.41229%0.288SS..Hα-helixtrans-57.4-40.3-179.5178.7-102.7000113.5S170 Y171 A172 F196 L208F168-S170 VanDerWaalsContact C-N 3.28Å; F168-S170 PolarHBondContact O-N 3.5Å; F168-Y171 HydrophobicContact CD2-CD1 4.48Å; F168-Y171 HydrophobicContact CE2-CD1 4.31Å; F168-Y171 WeakPolarHBondContact O-CB 3.38Å; F168-Y171 PolarHBondContact O-N 3.28Å; F168-Y171 VanDerWaalsContact O-N 3.11Å; F168-A172 PolarHBondContact O-N 2.99Å; F168-F196 HydrophobicContact CD2-CZ 4.41Å; F168-L208 HydrophobicContact CD2-CD1 3.8Å; F168-L208 HydrophobicContact CE2-CD1 3.72Å; F168-L208 HydrophobicContact CE2-CG 4.44Å
169K80.2Confident85.2Confident141 Ų14163.7 Ų63.761%0.61330%0.302SS*.Hα-helixtrans-60.6-40.2179.6-167179.7-179.1-171.20111.7C167 Y171 A172 E173C167-K169 VanDerWaalsContact C-N 3.31Å; C167-K169 PolarHBondContact O-N 3.08Å; K169-Y171 VanDerWaalsContact C-N 3.32Å; K169-Y171 PolarHBondContact O-N 3.47Å; K169-A172 PolarHBondContact O-N 3.49Å; K169-E173 WeakPolarHBondContact CE-OE1 3.34Å; K169-E173 WeakPolarHBondContact O-CG 3.31Å; K169-E173 PolarHBondContact O-N 2.87Å
170S82Confident85.2Confident23 Ų2366.6 Ų66.616%0.16133%0.326CS..Hα-helixtrans-63.2-37.1176.3-173.80000112.4C167 F168 R174C167-S170 WeakPolarHBondContact O-CB 3.44Å; C167-S170 PolarHBondContact O-N 3.07Å; F168-S170 VanDerWaalsContact C-N 3.28Å; F168-S170 PolarHBondContact O-N 3.5Å; S170-R174 WeakPolarHBondContact O-CB 3.24Å; S170-R174 WeakPolarHBondContact O-CG 3.32Å; S170-R174 PolarHBondContact O-N 3.24Å
171Y84Confident85Confident42 Ų4268.3 Ų68.317%0.16533%0.33CS..Hα-helixtrans-64.8-51.5173.6166.6-107.7000111.9F165 C167 F168 K169 E173 R174 F175 P194F165-Y171 HydrophobicContact CD2-CD2 4.01Å; F165-Y171 HydrophobicContact CD2-CG 4.42Å; F165-Y171 HydrophobicContact CE1-CD2 4.43Å; F165-Y171 AromaticContact CE2-CD2 3.43Å; F165-Y171 HydrophobicContact CE2-CD2 3.43Å; F165-Y171 VanDerWaalsContact CE2-CD2 3.43Å; F165-Y171 HydrophobicContact CE2-CE2 4.28Å; F165-Y171 HydrophobicContact CE2-CG 4.24Å; F165-Y171 AromaticContact CZ-CD2 3.69Å; F165-Y171 HydrophobicContact CZ-CD2 3.69Å; C167-Y171 PolarHBondContact O-N 3.45Å; F168-Y171 HydrophobicContact CD2-CD1 4.48Å; F168-Y171 HydrophobicContact CE2-CD1 4.31Å; F168-Y171 WeakPolarHBondContact O-CB 3.38Å; F168-Y171 PolarHBondContact O-N 3.28Å; F168-Y171 VanDerWaalsContact O-N 3.11Å; K169-Y171 VanDerWaalsContact C-N 3.32Å; K169-Y171 PolarHBondContact O-N 3.47Å; Y171-E173 VanDerWaalsContact C-N 3.26Å; Y171-E173 PolarHBondContact O-N 3.46Å; Y171-R174 PolarHBondContact O-N 2.94Å; Y171-R174 VanDerWaalsContact O-N 3.13Å; Y171-F175 HydrophobicContact CD2-CB 4.37Å; Y171-F175 HydrophobicContact CE2-CB 4.05Å; Y171-F175 AromaticContact CE2-CD2 3.53Å; Y171-F175 HydrophobicContact CE2-CD2 3.53Å; Y171-F175 HydrophobicContact CE2-CE2 4.39Å; Y171-F175 HydrophobicContact CE2-CG 4.14Å; Y171-F175 AromaticContact CZ-CD2 3.67Å; Y171-F175 WeakPolarHBondContact O-CB 3.42Å; Y171-F175 PolarHBondContact O-N 2.99Å; Y171-F175 WeakPolarHBondContact OH-CD2 3.38Å; Y171-P194 HydrophobicContact CD2-CB 3.75Å; Y171-P194 HydrophobicContact CD2-CG 4.25Å; Y171-P194 HydrophobicContact CE1-CG 4.46Å; Y171-P194 HydrophobicContact CE2-CB 3.93Å; Y171-P194 HydrophobicContact CE2-CG 4Å; Y171-P194 HydrophobicContact CG-CB 4.1Å
172A82.5Confident84.9Confident59 Ų5968.3 Ų68.349%0.48833%0.33SS..Hα-helixtrans-60.7-35.7-177.500000112.5F168 K169F168-A172 PolarHBondContact O-N 2.99Å; K169-A172 PolarHBondContact O-N 3.49Å
173E85.3Confident84.9Confident131 Ų13170 Ų7061%0.61234%0.343SS*.Hα-helixtrans-72.8-30.1177.9-72.3173.4179.700113.2K169 Y171K169-E173 WeakPolarHBondContact CE-OE1 3.34Å; K169-E173 WeakPolarHBondContact O-CG 3.31Å; K169-E173 PolarHBondContact O-N 2.87Å; Y171-E173 VanDerWaalsContact C-N 3.26Å; Y171-E173 PolarHBondContact O-N 3.46Å
174R85.1Confident84.9Confident112 Ų11274 Ų7442%0.42338%0.376SS..Hα-helixtrans-105.6-17.3-172.7-65.5-176.8-179.8-145.73.4115.1E142 F165 S170 Y171 E176 S177 I178E142-R174 IonicContact OE1-NH1 2.7Å; E142-R174 PolarHBondContact OE1-NH1 2.94Å; E142-R174 VanDerWaalsContact OE1-NH1 3.12Å; F165-R174 HydrophobicContact CE1-CB 4.22Å; S170-R174 WeakPolarHBondContact O-CB 3.24Å; S170-R174 WeakPolarHBondContact O-CG 3.32Å; S170-R174 PolarHBondContact O-N 3.24Å; Y171-R174 PolarHBondContact O-N 2.94Å; Y171-R174 VanDerWaalsContact O-N 3.13Å; R174-E176 VanDerWaalsContact C-N 3.31Å; R174-E176 PolarHBondContact O-N 3.43Å; R174-S177 PolarHBondContact O-N 3.39Å; R174-S177 PolarHBondContact O-OG 2.83Å; R174-I178 HydrophobicContact CB-CD1 4.05Å; R174-I178 HydrophobicContact CB-CG1 4.47Å; R174-I178 VanDerWaalsContact O-CG1 3.29Å; R174-I178 WeakPolarHBondContact O-CG1 3.37Å; R174-I178 PolarHBondContact O-N 3.27Å
175F86.7Confident84.8Confident46 Ų4671.7 Ų71.720%0.20237%0.37CS..Hα-helixtrans-52.5-48.4-174.7174.2-100.6000112.5Y171 S177 I178 K179 L192Y171-F175 HydrophobicContact CD2-CB 4.37Å; Y171-F175 HydrophobicContact CE2-CB 4.05Å; Y171-F175 AromaticContact CE2-CD2 3.53Å; Y171-F175 HydrophobicContact CE2-CD2 3.53Å; Y171-F175 HydrophobicContact CE2-CE2 4.39Å; Y171-F175 HydrophobicContact CE2-CG 4.14Å; Y171-F175 AromaticContact CZ-CD2 3.67Å; Y171-F175 WeakPolarHBondContact O-CB 3.42Å; Y171-F175 PolarHBondContact O-N 2.99Å; Y171-F175 WeakPolarHBondContact OH-CD2 3.38Å; F175-S177 PolarHBondContact O-N 2.91Å; F175-I178 PolarHBondContact O-N 2.89Å; F175-K179 HydrophobicContact CE1-CD 3.95Å; F175-K179 HydrophobicContact CZ-CD 4.14Å; F175-K179 VanDerWaalsContact O-CB 3.24Å; F175-K179 WeakPolarHBondContact O-CB 3.16Å; F175-K179 PolarHBondContact O-N 2.77Å; F175-L192 HydrophobicContact CD2-CB 4.18Å; F175-L192 HydrophobicContact CD2-CD1 3.69Å; F175-L192 HydrophobicContact CD2-CG 4.41Å; F175-L192 HydrophobicContact CE2-CB 3.95Å; F175-L192 HydrophobicContact CE2-CD1 3.87Å; F175-L192 HydrophobicContact CE2-CG 4.19Å
176E88.4Confident84.7Confident113 Ų11373.1 Ų73.153%0.52839%0.386SS..Hα-helixtrans-69.1-33.3-179.5-70-58.4144.600112.6R174 K179 A180R174-E176 VanDerWaalsContact C-N 3.31Å; R174-E176 PolarHBondContact O-N 3.43Å; E176-K179 IonicContact OE1-NZ 3.78Å; E176-K179 IonicContact OE2-NZ 3.99Å; E176-A180 WeakPolarHBondContact O-CB 3.45Å; E176-A180 PolarHBondContact O-N 3.45Å
177S88.5Confident85Confident70 Ų7064.2 Ų64.249%0.4935%0.353SS..Hα-helixtrans-68.7-41.3176.159.40000112R174 F175 A180 F181R174-S177 PolarHBondContact O-N 3.39Å; R174-S177 PolarHBondContact O-OG 2.83Å; F175-S177 PolarHBondContact O-N 2.91Å; S177-A180 PolarHBondContact O-N 2.9Å; S177-F181 PolarHBondContact O-N 2.81Å
178I86.6Confident85.3Confident4 Ų465.3 Ų65.32%0.02136%0.358CS..Hα-helixtrans-65.8-46.2177.5-60164.5000109.8F138 E142 L144 V163 F165 R174 F175 A180 F181 L182 L192F138-I178 HydrophobicContact CE1-CG2 4.21Å; E142-I178 WeakPolarHBondContact OE2-CD1 3.48Å; E142-I178 WeakPolarHBondContact OE2-CG1 3.27Å; L144-I178 HydrophobicContact CD1-CG2 4.32Å; V163-I178 HydrophobicContact CG1-CD1 4.29Å; F165-I178 HydrophobicContact CE1-CD1 4.01Å; F165-I178 HydrophobicContact CZ-CD1 3.75Å; R174-I178 HydrophobicContact CB-CD1 4.05Å; R174-I178 HydrophobicContact CB-CG1 4.47Å; R174-I178 VanDerWaalsContact O-CG1 3.29Å; R174-I178 WeakPolarHBondContact O-CG1 3.37Å; R174-I178 PolarHBondContact O-N 3.27Å; F175-I178 PolarHBondContact O-N 2.89Å; I178-A180 PolarHBondContact O-N 3.4Å; I178-F181 PolarHBondContact O-N 2.99Å; I178-L182 HydrophobicContact CG2-CD1 3.8Å; I178-L182 VanDerWaalsContact O-CG 3.32Å; I178-L182 WeakPolarHBondContact O-CG 3.47Å; I178-L182 PolarHBondContact O-N 2.96Å; I178-L192 HydrophobicContact CB-CD1 3.79Å; I178-L192 HydrophobicContact CG2-CD1 3.54Å; I178-L192 HydrophobicContact CG2-CD2 3.98Å; I178-L192 HydrophobicContact CG2-CG 4.43Å
179K89Confident85.7Confident74 Ų7466.7 Ų66.732%0.32236%0.361SS..Hα-helixtrans-59.7-46.6176.9-177.9-179.7170.6-163.40111.5F175 E176 F181 L182 T183 V190F175-K179 HydrophobicContact CE1-CD 3.95Å; F175-K179 HydrophobicContact CZ-CD 4.14Å; F175-K179 VanDerWaalsContact O-CB 3.24Å; F175-K179 WeakPolarHBondContact O-CB 3.16Å; F175-K179 PolarHBondContact O-N 2.77Å; E176-K179 IonicContact OE1-NZ 3.78Å; E176-K179 IonicContact OE2-NZ 3.99Å; K179-F181 VanDerWaalsContact C-N 3.34Å; K179-F181 PolarHBondContact O-N 3.44Å; K179-L182 PolarHBondContact O-N 2.81Å; K179-T183 WeakPolarHBondContact O-CB 3.36Å; K179-T183 PolarHBondContact O-N 3.36Å; K179-T183 PolarHBondContact O-OG1 3.06Å; K179-T183 VanDerWaalsContact O-OG1 3.14Å; K179-V190 HydrophobicContact CG-CB 4.22Å; K179-V190 HydrophobicContact CG-CG1 4.38Å
180A88.5Confident86.2Confident61 Ų6161 Ų6150%0.50434%0.338SS..Hα-helixtrans-60.9-41.9177.300000112E176 S177 I178 T183 A184E176-A180 WeakPolarHBondContact O-CB 3.45Å; E176-A180 PolarHBondContact O-N 3.45Å; S177-A180 PolarHBondContact O-N 2.9Å; I178-A180 PolarHBondContact O-N 3.4Å; A180-T183 PolarHBondContact O-N 2.84Å; A180-A184 WeakPolarHBondContact O-CB 3.29Å; A180-A184 PolarHBondContact O-N 3.29Å
181F86.6Confident86.6Confident62 Ų6265.2 Ų65.227%0.27235%0.353SS..Hα-helixtrans-60-48.4174.9-179.2-76.9000111.6Q137 F138 S177 I178 K179 T183 A184 H185Q137-F181 HydrophobicContact CB-CZ 4.36Å; F138-F181 HydrophobicContact CD2-CD1 4.3Å; F138-F181 AromaticContact CD2-CE1 3.78Å; F138-F181 HydrophobicContact CD2-CE1 3.78Å; F138-F181 AromaticContact CE1-CD1 3.97Å; F138-F181 HydrophobicContact CE1-CD1 3.97Å; F138-F181 HydrophobicContact CE1-CE1 4.23Å; F138-F181 HydrophobicContact CE1-CG 4.5Å; F138-F181 AromaticContact CE2-CD1 3.2Å; F138-F181 HydrophobicContact CE2-CD1 3.2Å; F138-F181 AromaticContact CE2-CE1 3.05Å; F138-F181 HydrophobicContact CE2-CE1 3.05Å; F138-F181 HydrophobicContact CE2-CG 4.38Å; F138-F181 HydrophobicContact CE2-CZ 4.16Å; F138-F181 HydrophobicContact CZ-CB 4.32Å; F138-F181 AromaticContact CZ-CD1 2.99Å; F138-F181 HydrophobicContact CZ-CD1 2.99Å; F138-F181 AromaticContact CZ-CE1 3.34Å; F138-F181 HydrophobicContact CZ-CE1 3.34Å; F138-F181 AromaticContact CZ-CG 3.83Å; F138-F181 HydrophobicContact CZ-CG 3.83Å; F138-F181 HydrophobicContact CZ-CZ 4.37Å; S177-F181 PolarHBondContact O-N 2.81Å; I178-F181 PolarHBondContact O-N 2.99Å; K179-F181 VanDerWaalsContact C-N 3.34Å; K179-F181 PolarHBondContact O-N 3.44Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 3.37Å; F181-A184 WeakPolarHBondContact O-CB 3.46Å; F181-A184 PolarHBondContact O-N 3.34Å; F181-H185 AromaticContact CD1-CE1 3.84Å; F181-H185 AromaticContact CD1-ND1 3.46Å; F181-H185 WeakPolarHBondContact CD1-ND1 3.34Å; F181-H185 AromaticContact CD2-CE1 3.93Å; F181-H185 AromaticContact CE1-CE1 3.36Å; F181-H185 WeakPolarHBondContact CE1-CE1 3.39Å; F181-H185 AromaticContact CE1-CG 3.98Å; F181-H185 AromaticContact CE1-ND1 3.29Å; F181-H185 VanDerWaalsContact CE1-ND1 3.29Å; F181-H185 WeakPolarHBondContact CE1-ND1 3.33Å; F181-H185 AromaticContact CE2-CE1 3.45Å; F181-H185 VanDerWaalsContact CE2-CE1 3.45Å; F181-H185 WeakPolarHBondContact CE2-CE1 2.97Å; F181-H185 AromaticContact CG-ND1 3.96Å; F181-H185 AromaticContact CZ-CE1 3.16Å; F181-H185 WeakPolarHBondContact CZ-CE1 3.11Å; F181-H185 AromaticContact CZ-ND1 3.64Å; F181-H185 AromaticContact CZ-NE2 3.79Å; F181-H185 PolarHBondContact O-N 3.24Å; F181-H185 VanDerWaalsContact O-N 3.08Å; F181-H185 PolarHBondContact O-ND1 2.85Å
182L85.4Confident86.8Confident1 Ų164 Ų641%0.00535%0.35CS..Hα-helixtrans-64.3-39-178.2-70.1163000111.4I134 F138 L159 I178 K179 H185 G186 A187 V190 L192I134-L182 HydrophobicContact CG2-CD2 4.48Å; F138-L182 HydrophobicContact CD2-CD2 4.3Å; F138-L182 HydrophobicContact CE2-CD2 3.26Å; F138-L182 HydrophobicContact CE2-CG 3.98Å; F138-L182 HydrophobicContact CZ-CD1 4.37Å; F138-L182 HydrophobicContact CZ-CD2 3.48Å; F138-L182 VanDerWaalsContact CZ-CD2 3.48Å; F138-L182 HydrophobicContact CZ-CG 3.66Å; L159-L182 HydrophobicContact CD1-CD2 3.66Å; L159-L182 HydrophobicContact CD2-CD1 3.83Å; L159-L182 HydrophobicContact CD2-CD2 3.85Å; L159-L182 HydrophobicContact CD2-CG 4.37Å; L159-L182 HydrophobicContact CG-CD2 4.43Å; I178-L182 HydrophobicContact CG2-CD1 3.8Å; I178-L182 VanDerWaalsContact O-CG 3.32Å; I178-L182 WeakPolarHBondContact O-CG 3.47Å; I178-L182 PolarHBondContact O-N 2.96Å; K179-L182 PolarHBondContact O-N 2.81Å; L182-H185 CarbonylContact O-C 3.53Å; L182-H185 PolarHBondContact O-N 3.44Å; L182-G186 PolarHBondContact O-N 3.08Å; L182-A187 HydrophobicContact CB-CB 4.32Å; L182-A187 VanDerWaalsContact O-CB 3.27Å; L182-A187 WeakPolarHBondContact O-CB 3.33Å; L182-A187 PolarHBondContact O-N 3.13Å; L182-V190 HydrophobicContact CB-CG1 4.3Å; L182-V190 HydrophobicContact CB-CG2 3.73Å; L182-V190 HydrophobicContact CD1-CG1 3.54Å; L182-V190 HydrophobicContact CD1-CG2 4.48Å; L182-L192 HydrophobicContact CD1-CD2 3.76Å
183T88.4Confident87.2Confident71 Ų7166 Ų6644%0.43635%0.349SS..Hα-helixtrans-67.1-38174.4-61.30000112.3K179 A180 F181 H185 G186 A187K179-T183 WeakPolarHBondContact O-CB 3.36Å; K179-T183 PolarHBondContact O-N 3.36Å; K179-T183 PolarHBondContact O-OG1 3.06Å; K179-T183 VanDerWaalsContact O-OG1 3.14Å; A180-T183 PolarHBondContact O-N 2.84Å; F181-T183 VanDerWaalsContact C-N 3.31Å; F181-T183 PolarHBondContact O-N 3.37Å; T183-H185 PolarHBondContact O-N 3.06Å; T183-G186 PolarHBondContact O-N 3.19Å; T183-A187 WeakPolarHBondContact CA-O 3.41Å; T183-A187 PolarHBondContact OG1-O 3.22Å
184A86.8Confident87.3Confident84 Ų8461 Ų6169%0.69433%0.328SS*.Hα-helixtrans-62.4-28.6173.300000112.5A180 F181 G186A180-A184 WeakPolarHBondContact O-CB 3.29Å; A180-A184 PolarHBondContact O-N 3.29Å; F181-A184 WeakPolarHBondContact O-CB 3.46Å; F181-A184 PolarHBondContact O-N 3.34Å; A184-G186 VanDerWaalsContact C-N 3.27Å; A184-G186 PolarHBondContact O-N 3.04Å
185H83.2Confident87.3Confident68 Ų6858.2 Ų58.232%0.31532%0.32SS..THydrogen-bonded Turntrans-89.515.3174.4-69.580.8000113.7F129 I134 F181 L182 T183F129-H185 VanDerWaalsContact CE2-O 3.31Å; F129-H185 WeakPolarHBondContact CE2-O 3.29Å; I134-H185 HydrophobicContact CD1-CB 3.83Å; I134-H185 HydrophobicContact CG1-CB 4.16Å; F181-H185 AromaticContact CD1-CE1 3.84Å; F181-H185 AromaticContact CD1-ND1 3.46Å; F181-H185 WeakPolarHBondContact CD1-ND1 3.34Å; F181-H185 AromaticContact CD2-CE1 3.93Å; F181-H185 AromaticContact CE1-CE1 3.36Å; F181-H185 WeakPolarHBondContact CE1-CE1 3.39Å; F181-H185 AromaticContact CE1-CG 3.98Å; F181-H185 AromaticContact CE1-ND1 3.29Å; F181-H185 VanDerWaalsContact CE1-ND1 3.29Å; F181-H185 WeakPolarHBondContact CE1-ND1 3.33Å; F181-H185 AromaticContact CE2-CE1 3.45Å; F181-H185 VanDerWaalsContact CE2-CE1 3.45Å; F181-H185 WeakPolarHBondContact CE2-CE1 2.97Å; F181-H185 AromaticContact CG-ND1 3.96Å; F181-H185 AromaticContact CZ-CE1 3.16Å; F181-H185 WeakPolarHBondContact CZ-CE1 3.11Å; F181-H185 AromaticContact CZ-ND1 3.64Å; F181-H185 AromaticContact CZ-NE2 3.79Å; F181-H185 PolarHBondContact O-N 3.24Å; F181-H185 VanDerWaalsContact O-N 3.08Å; F181-H185 PolarHBondContact O-ND1 2.85Å; L182-H185 CarbonylContact O-C 3.53Å; L182-H185 PolarHBondContact O-N 3.44Å; T183-H185 PolarHBondContact O-N 3.06Å
186G82.7Confident87.1Confident36 Ų3660.1 Ų60.137%0.37133%0.328SS..THydrogen-bonded Turntrans97.10.2169.300000115.6L157 L182 T183 A184 T188L157-G186 VanDerWaalsContact CD1-O 3.28Å; L157-G186 WeakPolarHBondContact CD1-O 3.23Å; L182-G186 PolarHBondContact O-N 3.08Å; T183-G186 PolarHBondContact O-N 3.19Å; A184-G186 VanDerWaalsContact C-N 3.27Å; A184-G186 PolarHBondContact O-N 3.04Å; G186-T188 PolarHBondContact O-N 3.42Å
187A86Confident86.7Confident2 Ų258.5 Ų58.52%0.01732%0.32CS..  trans-70.2120.6173.600000110.8L159 L182 T183 V190L159-A187 HydrophobicContact CB-CB 3.94Å; L159-A187 HydrophobicContact CD1-CB 4.33Å; L182-A187 HydrophobicContact CB-CB 4.32Å; L182-A187 VanDerWaalsContact O-CB 3.27Å; L182-A187 WeakPolarHBondContact O-CB 3.33Å; L182-A187 PolarHBondContact O-N 3.13Å; T183-A187 WeakPolarHBondContact CA-O 3.41Å; T183-A187 PolarHBondContact OG1-O 3.22Å; A187-V190 HydrophobicContact CB-CG2 3.7Å
188T86.3Confident85.7Confident77 Ų7764.9 Ų64.947%0.47234%0.339SS..SBendtrans-79.2-38.3178.2-37.80000111.4H155 L157 G186H155-T188 PolarHBondContact O-OG1 3.11Å; L157-T188 PolarHBondContact N-OG1 3.35Å; L157-T188 WeakPolarHBondContact O-CA 3.45Å; L157-T188 PolarHBondContact O-N 2.84Å; G186-T188 PolarHBondContact O-N 3.42Å
189R88.1Confident84.2Confident124 Ų12469.1 Ų69.147%0.46836%0.362SS..EExtended strand (participates in β ladder)trans-129.3126.5178.6-66.9-177.1178.4167.51.3109.1L157 N158 L159 F191L157-R189 PolarHBondContact O-N 3.32Å; N158-R189 CarbonylContact C-O 3.58Å; N158-R189 WeakPolarHBondContact CA-O 3.36Å; N158-R189 WeakPolarHBondContact OD1-CB 3.27Å; N158-R189 WeakPolarHBondContact OD1-CD 3.39Å; L159-R189 PolarHBondContact N-O 2.84Å; R189-F191 HydrophobicContact CB-CE2 4.06Å
190V89.9Confident82.4Confident21 Ų2175.7 Ų75.713%0.12739%0.394CS..EExtended strand (participates in β ladder)trans-120.3125.4-175175.90000109.1L159 K179 L182 A187 L192L159-V190 CarbonylContact O-C 3.58Å; L159-V190 WeakPolarHBondContact O-CA 3.36Å; K179-V190 HydrophobicContact CG-CB 4.22Å; K179-V190 HydrophobicContact CG-CG1 4.38Å; L182-V190 HydrophobicContact CB-CG1 4.3Å; L182-V190 HydrophobicContact CB-CG2 3.73Å; L182-V190 HydrophobicContact CD1-CG1 3.54Å; L182-V190 HydrophobicContact CD1-CG2 4.48Å; A187-V190 HydrophobicContact CB-CG2 3.7Å; V190-L192 HydrophobicContact CG1-CD1 4.45Å; V190-L192 HydrophobicContact CG1-CD2 4.02Å; V190-L192 HydrophobicContact CG1-CG 3.91Å
191F90.3Very high80.5Confident112 Ų11275 Ų7549%0.49139%0.393SS..EExtended strand (participates in β ladder)trans-117.8111.5174.8-60.6-84.2000108.5L159 S160 A161 R189L159-F191 PolarHBondContact O-N 3Å; S160-F191 CarbonylContact C-O 3.58Å; S160-F191 VanDerWaalsContact CA-O 3.27Å; S160-F191 WeakPolarHBondContact CA-O 3.5Å; A161-F191 PolarHBondContact N-O 2.89Å; R189-F191 HydrophobicContact CB-CE2 4.06Å
192L89.5Confident78.4Confident17 Ų1776.2 Ų76.29%0.08942%0.415CS..EExtended strand (participates in β ladder)trans-104.6121.4176.2-59.4175.3000108.8A161 V163 F175 I178 L182 V190 P194A161-L192 HydrophobicContact CB-CD2 4.13Å; A161-L192 WeakPolarHBondContact O-CA 3.37Å; V163-L192 HydrophobicContact CG2-CD2 3.99Å; F175-L192 HydrophobicContact CD2-CB 4.18Å; F175-L192 HydrophobicContact CD2-CD1 3.69Å; F175-L192 HydrophobicContact CD2-CG 4.41Å; F175-L192 HydrophobicContact CE2-CB 3.95Å; F175-L192 HydrophobicContact CE2-CD1 3.87Å; F175-L192 HydrophobicContact CE2-CG 4.19Å; I178-L192 HydrophobicContact CB-CD1 3.79Å; I178-L192 HydrophobicContact CG2-CD1 3.54Å; I178-L192 HydrophobicContact CG2-CD2 3.98Å; I178-L192 HydrophobicContact CG2-CG 4.43Å; L182-L192 HydrophobicContact CD1-CD2 3.76Å; V190-L192 HydrophobicContact CG1-CD1 4.45Å; V190-L192 HydrophobicContact CG1-CD2 4.02Å; V190-L192 HydrophobicContact CG1-CG 3.91Å; L192-P194 WeakPolarHBondContact O-CD 3.14Å
193Q89.2Confident76.6Confident100 Ų10082.2 Ų82.247%0.46745%0.453SS..EExtended strand (participates in β ladder)trans-96.7108.5172.1-176170.2-37.100108.6A161 H162 V163 E195A161-Q193 PolarHBondContact O-N 2.96Å; H162-Q193 WeakPolarHBondContact CA-O 3.4Å; V163-Q193 PolarHBondContact N-O 2.89Å; Q193-E195 PolarHBondContact O-N 3.26Å
194P87.8Confident74.7Confident26 Ų2685 Ų8517%0.16947%0.466CS..EExtended strand (participates in β ladder)trans-71.5129.2175.928.7-32.5000110.2F165 Y171 L192 F196F165-P194 HydrophobicContact CD2-CB 3.85Å; F165-P194 HydrophobicContact CE2-CB 3.94Å; Y171-P194 HydrophobicContact CD2-CB 3.75Å; Y171-P194 HydrophobicContact CD2-CG 4.25Å; Y171-P194 HydrophobicContact CE1-CG 4.46Å; Y171-P194 HydrophobicContact CE2-CB 3.93Å; Y171-P194 HydrophobicContact CE2-CG 4Å; Y171-P194 HydrophobicContact CG-CB 4.1Å; L192-P194 WeakPolarHBondContact O-CD 3.14Å; P194-F196 HydrophobicContact CB-CE1 4.33Å; P194-F196 HydrophobicContact CB-CE2 4.15Å; P194-F196 HydrophobicContact CB-CZ 3.78Å; P194-F196 HydrophobicContact CG-CE2 4.4Å; P194-F196 HydrophobicContact CG-CZ 4.24Å
195E84.6Confident73Confident54 Ų5483.5 Ų83.525%0.25246%0.458SS..EExtended strand (participates in β ladder)trans-108.8137.1164.6-68.2-175.5-17300108.2H145 H162 V163 R164 F165 Q193H145-E195 VanDerWaalsContact CE1-CD 3.47Å; H145-E195 IonicContact CE1-OE1 2.75Å; H145-E195 IonicContact CE1-OE2 3.18Å; H145-E195 PolarHBondContact CE1-OE2 2.8Å; H145-E195 IonicContact NE2-OE1 3.78Å; H145-E195 PolarHBondContact NE2-OE1 2.83Å; H145-E195 IonicContact NE2-OE2 3.01Å; H145-E195 PolarHBondContact NE2-OE2 3.01Å; H162-E195 IonicContact CE1-OE1 3.91Å; H162-E195 IonicContact CG-OE1 3.12Å; H162-E195 IonicContact ND1-OE1 3.62Å; H162-E195 PolarHBondContact ND1-OE1 3.45Å; V163-E195 PolarHBondContact O-N 3.19Å; R164-E195 CarbonylContact C-O 3.51Å; R164-E195 VanDerWaalsContact CA-O 3.29Å; R164-E195 WeakPolarHBondContact CA-O 3.41Å; F165-E195 PolarHBondContact N-O 3.23Å; Q193-E195 PolarHBondContact O-N 3.26Å
196F84.1Confident71.3Confident85 Ų8585.6 Ų85.637%0.37347%0.472SS..EExtended strand (participates in β ladder)trans-106.3136.1179.5-58.6-72000110F165 F168 P194 K198 L208F165-F196 HydrophobicContact CB-CD1 4Å; F165-F196 HydrophobicContact CB-CE1 4.05Å; F165-F196 WeakPolarHBondContact O-CA 3.43Å; F168-F196 HydrophobicContact CD2-CZ 4.41Å; P194-F196 HydrophobicContact CB-CE1 4.33Å; P194-F196 HydrophobicContact CB-CE2 4.15Å; P194-F196 HydrophobicContact CB-CZ 3.78Å; P194-F196 HydrophobicContact CG-CE2 4.4Å; P194-F196 HydrophobicContact CG-CZ 4.24Å; F196-K198 PolarHBondContact O-N 3.09Å; F196-L208 HydrophobicContact CE2-CD1 4.14Å; F196-L208 HydrophobicContact CZ-CD1 4.16Å
197E79.7Confident69.7Low80 Ų8087.9 Ų87.937%0.37448%0.481SS..  trans-55.4134.7166.7-71.6173.5-174.900108.2R164 F165 D199R164-E197 HydrophobicContact CG-CG 3.89Å; F165-E197 PolarHBondContact O-N 3.18Å; E197-D199 PolarHBondContact O-N 2.75Å
198K67.1Low68.2Low203 Ų20391.7 Ų91.788%0.88350%0.501SS*.  trans-65.4106.4173.2-76.2-177.1177.6179.10106.3F196 E200F196-K198 PolarHBondContact O-N 3.09Å; K198-E200 PolarHBondContact O-N 2.95Å; K198-E200 VanDerWaalsContact O-N 3.14Å
199D55.8Low66.5Low93 Ų9396.2 Ų96.250%0.49751%0.514SS..  trans-53.3121.7167.1-89.9-30.2000107E197 G201E197-D199 PolarHBondContact O-N 2.75Å; D199-G201 PolarHBondContact O-N 3.04Å; D199-G201 VanDerWaalsContact O-N 3.09Å
200E49.8Very low64.4Low212 Ų21296.3 Ų96.399%0.99152%0.515SS*.SBendtrans-696.9165.3-66.1-167.8162.700111.4K198K198-E200 PolarHBondContact O-N 2.95Å; K198-E200 VanDerWaalsContact O-N 3.14Å
201G48.6Very low62.3Low48 Ų4898.2 Ų98.250%0.49553%0.532SS..SBendtrans-113.8161.7174.100000112.9D199D199-G201 PolarHBondContact O-N 3.04Å; D199-G201 VanDerWaalsContact O-N 3.09Å
202A42.5Very low60.2Low87 Ų8796.9 Ų96.972%0.71953%0.53SS*.SBendtrans-46.7143.2-173.800000113.7N204A202-N204 PolarHBondContact O-N 3.33Å
203P48.3Very low58.1Low126 Ų126103.3 Ų103.382%0.81856%0.558SS**  trans-59.2112.3-171.523.9-33.6000110.9G205P203-G205 PolarHBondContact O-N 3.38Å; P203-G205 VanDerWaalsContact O-N 3.09Å
204N48.7Very low55.8Low130 Ų130106.6 Ų106.670%0.69557%0.571SS**  trans-61.3113166-95.5-36.5000108A202 D206A202-N204 PolarHBondContact O-N 3.33Å; N204-D206 PolarHBondContact O-N 3.36Å
205G50.7Low53.7Low52 Ų52110.7 Ų110.754%0.53659%0.591SS.*  trans-69.526.9-171.700000116.4P203 C207 R210P203-G205 PolarHBondContact O-N 3.38Å; P203-G205 VanDerWaalsContact O-N 3.09Å; G205-C207 PolarHBondContact O-N 2.95Å; G205-R210 PolarHBondContact O-NH2 2.83Å
206D48.2Very low51.8Low113 Ų113114.9 Ų114.960%0.60461%0.61SS**  trans-94.682.6175.6-82.3-17000109.5N204 L208N204-D206 PolarHBondContact O-N 3.36Å; D206-L208 PolarHBondContact O-N 3.18Å
207C49.5Very low50.1Low83 Ų83118.1 Ų118.156%0.56163%0.63SS**  trans-64.8128.6164.6-169.80000108.9G205 F209 R210G205-C207 PolarHBondContact O-N 2.95Å; C207-F209 PolarHBondContact O-N 3.35Å; C207-R210 PolarHBondContact O-N 3.12Å
208L53.8Low48.5Very low83 Ų83120.6 Ų120.644%0.43564%0.642SS.*THydrogen-bonded Turntrans-54.2-25.3176.4-148.9101.6000112.4F168 F196 D206F168-L208 HydrophobicContact CD2-CD1 3.8Å; F168-L208 HydrophobicContact CE2-CD1 3.72Å; F168-L208 HydrophobicContact CE2-CG 4.44Å; F196-L208 HydrophobicContact CE2-CD1 4.14Å; F196-L208 HydrophobicContact CZ-CD1 4.16Å; D206-L208 PolarHBondContact O-N 3.18Å
209F50.4Low47.5Very low171 Ų171116.9 Ų116.975%0.7563%0.632SS**THydrogen-bonded Turntrans-124.965.5175.5-56.4-84.1000109.9C207 A211C207-F209 PolarHBondContact O-N 3.35Å; F209-A211 PolarHBondContact O-N 2.97Å
210R44.2Very low46.9Very low127 Ų127116.2 Ų116.248%0.47965%0.647SS.*  trans-62.598.5154.7-103.3-170.5-160.3166.314.6107.1G205 C207 D212 K213G205-R210 PolarHBondContact O-NH2 2.83Å; C207-R210 PolarHBondContact O-N 3.12Å; R210-D212 HydrophobicContact CB-CB 4.42Å; R210-D212 VanDerWaalsContact CD-OD2 3.31Å; R210-D212 WeakPolarHBondContact CD-OD2 3.44Å; R210-D212 WeakPolarHBondContact CG-OD2 3.38Å; R210-D212 IonicContact NE-OD2 2.8Å; R210-D212 PolarHBondContact O-N 2.75Å; R210-K213 PolarHBondContact O-N 3.14Å
211A46.2Very low46.4Very low60 Ų60115.3 Ų115.350%0.49663%0.634SS.*Hα-helixtrans-49-26.6171.900000111.4F209 K213 F214 L215F209-A211 PolarHBondContact O-N 2.97Å; A211-K213 VanDerWaalsContact C-N 3.33Å; A211-K213 PolarHBondContact O-N 2.85Å; A211-F214 PolarHBondContact O-N 3.3Å; A211-L215 PolarHBondContact O-N 2.96Å
212D46.4Very low45.7Very low85 Ų85118.6 Ų118.646%0.45565%0.647SS.*Hα-helixtrans-57.8-36.6178-28.4-13.8000112.8R210 Q216R210-D212 HydrophobicContact CB-CB 4.42Å; R210-D212 VanDerWaalsContact CD-OD2 3.31Å; R210-D212 WeakPolarHBondContact CD-OD2 3.44Å; R210-D212 WeakPolarHBondContact CG-OD2 3.38Å; R210-D212 IonicContact NE-OD2 2.8Å; R210-D212 PolarHBondContact O-N 2.75Å; D212-Q216 VanDerWaalsContact O-CB 3.31Å; D212-Q216 WeakPolarHBondContact O-CB 3.39Å; D212-Q216 WeakPolarHBondContact O-CG 3.29Å; D212-Q216 PolarHBondContact O-N 3.37Å
213K44.1Very low45.4Very low152 Ų152121 Ų12166%0.66165%0.652SS**Hα-helixtrans-77.6-27.9178.6-88.7-174.2176.8177.40113.1R210 A211 L217R210-K213 PolarHBondContact O-N 3.14Å; A211-K213 VanDerWaalsContact C-N 3.33Å; A211-K213 PolarHBondContact O-N 2.85Å; K213-L217 PolarHBondContact O-N 2.77Å
214F42Very low44.9Very low169 Ų169123.7 Ų123.774%0.74165%0.654SS**Hα-helixtrans-78.7-30.2174.9-140.3-88.7000111.3A211A211-F214 PolarHBondContact O-N 3.3Å
215L43.5Very low44.5Very low112 Ų112125.7 Ų125.759%0.58669%0.688SS**Hα-helixtrans-74.4-38.7171.1-82.9155.6000112.6A211 L217 H218 D219A211-L215 PolarHBondContact O-N 2.96Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 2.92Å; L215-H218 CarbonylContact O-C 3.58Å; L215-H218 WeakPolarHBondContact O-CA 3.34Å; L215-H218 PolarHBondContact O-N 3.01Å; L215-D219 PolarHBondContact O-N 2.95Å
216Q44.3Very low44.2Very low141 Ų141129.4 Ų129.466%0.65970%0.696SS**Hα-helixtrans-66.2-26.3177.2-79.9175.92.100114.1D212 H218D212-Q216 VanDerWaalsContact O-CB 3.31Å; D212-Q216 WeakPolarHBondContact O-CB 3.39Å; D212-Q216 WeakPolarHBondContact O-CG 3.29Å; D212-Q216 PolarHBondContact O-N 3.37Å; Q216-H218 PolarHBondContact O-N 3.03Å
217L47.6Very low44Very low153 Ų153130.2 Ų130.280%0.80170%0.701SS**THydrogen-bonded Turntrans-74.6-13.1171.5-98.1144.4000113.1K213 L215K213-L217 PolarHBondContact O-N 2.77Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 PolarHBondContact O-N 2.92Å
218H46.1Very low43.7Very low133 Ų133132.8 Ų132.862%0.61671%0.708SS**THydrogen-bonded Turntrans-111.2-7.5177.6-104.7-62.8000114.7L215 Q216 G220L215-H218 CarbonylContact O-C 3.58Å; L215-H218 WeakPolarHBondContact O-CA 3.34Å; L215-H218 PolarHBondContact O-N 3.01Å; Q216-H218 PolarHBondContact O-N 3.03Å; H218-G220 VanDerWaalsContact C-N 3.31Å; H218-G220 PolarHBondContact O-N 3.01Å
219D46.7Very low43.1Very low125 Ų125135.8 Ų135.867%0.66872%0.724SS**  trans-89.513.9-179.9-119.5-2.3000114.2L215 R221L215-D219 PolarHBondContact O-N 2.95Å; D219-R221 PolarHBondContact O-N 3.39Å
220G43.2Very low42.6Very low79 Ų79133.6 Ų133.681%0.81472%0.723SS**  trans-71.722.7169.800000114.7H218H218-G220 VanDerWaalsContact C-N 3.31Å; H218-G220 PolarHBondContact O-N 3.01Å
221R38.9Very low42.5Very low192 Ų192134 Ų13473%0.72574%0.739SS**SBendtrans-105.5128.3173.8-80.4-171.5-86.3-171.5-4.9109.6D219 V223D219-R221 PolarHBondContact O-N 3.39Å; R221-V223 PolarHBondContact O-N 3.09Å
222P34.2Very low42.3Very low118 Ų118139.3 Ų139.377%0.76676%0.757SS**  trans-64.9128.9177.528.2-31.4000108.7E224P222-E224 PolarHBondContact O-N 3.43Å
223V37.1Very low41.9Very low137 Ų137143.5 Ų143.583%0.8378%0.78SS**  trans-70.1106.3164.9179.30000105.9R221 A225R221-V223 PolarHBondContact O-N 3.09Å; V223-A225 PolarHBondContact O-N 3.14Å
224E37.1Very low41.8Very low183 Ų183142.8 Ų142.886%0.85579%0.79SS**  trans-57.1125.7165.2-72.6-178.5156.900108.4P222P222-E224 PolarHBondContact O-N 3.43Å
225A40.8Very low41.8Very low171 Ų171140.4 Ų140.4100%1.41379%0.794SS**  trans-88.40170.400000110.4V223V223-A225 PolarHBondContact O-N 3.14Å

Retrieved 225 of 225 residues in 64.9 ms (Link to these results)

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