A0A5K4F8M7_SCHMA Loading...

DUF4149 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8M7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 188 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
1M37.1Very low71.8Confident186 Ų18676.3 Ų76.392%0.91641%0.412SS*.  0-54.70-150.7171.174.900111.6M3 C4 F5M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.37Å; M1-C4 PolarHBondContact O-N 3.15Å; M1-F5 HydrophobicContact CG-CD2 4.44Å; M1-F5 HydrophobicContact CG-CE2 3.96Å; M1-F5 VanDerWaalsContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CD2 3.35Å; M1-F5 PolarHBondContact O-N 2.73Å
2I53.9Low73.3Confident114 Ų11477.7 Ų77.759%0.58542%0.416SS*.Hα-helixtrans-57-39177.5-63.6172000112.8C4 F5 L6I2-C4 PolarHBondContact O-N 3.48Å; I2-F5 WeakPolarHBondContact O-CB 3.39Å; I2-F5 PolarHBondContact O-N 2.77Å; I2-L6 HydrophobicContact CG2-CD1 3.85Å; I2-L6 PolarHBondContact O-N 3.29Å
3M57.4Low74.4Confident79 Ų7971.8 Ų71.839%0.38939%0.385SS..Hα-helixtrans-63-43.1-180-74.4-173.915600113.6M1 F5 L6 G7 S59M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.37Å; M3-F5 VanDerWaalsContact C-N 3.26Å; M3-F5 PolarHBondContact O-N 3.42Å; M3-L6 WeakPolarHBondContact O-CB 3.45Å; M3-L6 PolarHBondContact O-N 3.23Å; M3-L6 VanDerWaalsContact O-N 3.11Å; M3-G7 PolarHBondContact O-N 3.29Å; M3-S59 WeakPolarHBondContact O-CB 3.41Å
4C57.6Low75.8Confident101 Ų10168.4 Ų68.468%0.68237%0.366SS*.Hα-helixtrans-62.4-34.4176-580000112.4M1 I2 G7 S8M1-C4 PolarHBondContact O-N 3.15Å; I2-C4 PolarHBondContact O-N 3.48Å; C4-G7 PolarHBondContact O-N 3.2Å; C4-S8 PolarHBondContact O-N 3.46Å; C4-S8 PolarHBondContact O-OG 3.36Å
5F71.4Confident76.9Confident136 Ų13669.1 Ų69.160%0.59637%0.369SS*.Hα-helixtrans-69-35.5174.7-76.1-69.4000112.6M1 I2 M3 S8 Y9M1-F5 HydrophobicContact CG-CD2 4.44Å; M1-F5 HydrophobicContact CG-CE2 3.96Å; M1-F5 VanDerWaalsContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CD2 3.35Å; M1-F5 PolarHBondContact O-N 2.73Å; I2-F5 WeakPolarHBondContact O-CB 3.39Å; I2-F5 PolarHBondContact O-N 2.77Å; M3-F5 VanDerWaalsContact C-N 3.26Å; M3-F5 PolarHBondContact O-N 3.42Å; F5-S8 PolarHBondContact O-OG 3.18Å; F5-Y9 VanDerWaalsContact O-CB 3.26Å; F5-Y9 WeakPolarHBondContact O-CB 3.41Å; F5-Y9 PolarHBondContact O-N 3.36Å
6L76Confident77.7Confident47 Ų4766 Ų6625%0.24635%0.354CS..Hα-helixtrans-65.3-41.9172.2-102.8116.7000111.7I2 M3 Y9 G10 I55I2-L6 HydrophobicContact CG2-CD1 3.85Å; I2-L6 PolarHBondContact O-N 3.29Å; M3-L6 WeakPolarHBondContact O-CB 3.45Å; M3-L6 PolarHBondContact O-N 3.23Å; M3-L6 VanDerWaalsContact O-N 3.11Å; L6-Y9 WeakPolarHBondContact O-CB 3.28Å; L6-Y9 PolarHBondContact O-N 3.17Å; L6-G10 PolarHBondContact O-N 3.37Å; L6-I55 HydrophobicContact CD2-CG2 4.32Å; L6-I55 WeakPolarHBondContact O-CG2 3.22Å
7G82.3Confident78.6Confident10 Ų1062.2 Ų62.210%0.10333%0.334CS..Hα-helixtrans-60.1-48.7176.400000112.2M3 C4 Y9 G10 V11 V56M3-G7 PolarHBondContact O-N 3.29Å; C4-G7 PolarHBondContact O-N 3.2Å; G7-Y9 VanDerWaalsContact C-N 3.33Å; G7-Y9 PolarHBondContact O-N 3Å; G7-G10 PolarHBondContact O-N 3.15Å; G7-V11 PolarHBondContact O-N 3.42Å; G7-V56 WeakPolarHBondContact O-CG2 3.47Å
8S86.1Confident79.4Confident69 Ų6966.9 Ų66.948%0.48335%0.346SS..Hα-helixtrans-64.8-36.3176.762.10000112.6C4 F5 G10 V11 M12C4-S8 PolarHBondContact O-N 3.46Å; C4-S8 PolarHBondContact O-OG 3.36Å; F5-S8 PolarHBondContact O-OG 3.18Å; S8-G10 PolarHBondContact O-N 3.18Å; S8-V11 PolarHBondContact O-N 3.32Å; S8-M12 PolarHBondContact O-N 3.19Å
9Y87.8Confident80.1Confident27 Ų2770.1 Ų70.111%0.10636%0.357CS..Hα-helixtrans-61.7-41.2173.2174.4-94.6000112.3F5 L6 G7 V11 M12 T13 I55 L163 I164 T167F5-Y9 VanDerWaalsContact O-CB 3.26Å; F5-Y9 WeakPolarHBondContact O-CB 3.41Å; F5-Y9 PolarHBondContact O-N 3.36Å; L6-Y9 WeakPolarHBondContact O-CB 3.28Å; L6-Y9 PolarHBondContact O-N 3.17Å; G7-Y9 VanDerWaalsContact C-N 3.33Å; G7-Y9 PolarHBondContact O-N 3Å; Y9-V11 VanDerWaalsContact C-N 3.34Å; Y9-V11 PolarHBondContact O-N 3.14Å; Y9-M12 HydrophobicContact CD2-CE 3.49Å; Y9-M12 VanDerWaalsContact CD2-CE 3.49Å; Y9-M12 HydrophobicContact CE2-CE 3.81Å; Y9-M12 PolarHBondContact O-N 3.29Å; Y9-T13 VanDerWaalsContact CE1-OG1 3.29Å; Y9-T13 WeakPolarHBondContact CE1-OG1 3.36Å; Y9-T13 VanDerWaalsContact CZ-OG1 3.29Å; Y9-T13 PolarHBondContact O-N 3.06Å; Y9-T13 PolarHBondContact O-OG1 2.93Å; Y9-T13 PolarHBondContact OH-OG1 3.47Å; Y9-I55 HydrophobicContact CD1-CD1 4.33Å; Y9-I55 HydrophobicContact CD1-CG2 4.02Å; Y9-I55 HydrophobicContact CE1-CD1 3.93Å; Y9-L163 HydrophobicContact CE1-CB 3.89Å; Y9-L163 HydrophobicContact CE1-CD1 4.23Å; Y9-L163 WeakPolarHBondContact OH-CB 3.43Å; Y9-L163 PolarHBondContact OH-O 3.3Å; Y9-I164 HydrophobicContact CE2-CG1 4.43Å; Y9-T167 PolarHBondContact OH-OG1 3.08Å
10G88.8Confident80.8Confident0 Ų066.7 Ų66.70%034%0.34CS..Hα-helixtrans-59.2-44.4174.900000112.1L6 G7 S8 T13 I14L6-G10 PolarHBondContact O-N 3.37Å; G7-G10 PolarHBondContact O-N 3.15Å; S8-G10 PolarHBondContact O-N 3.18Å; G10-T13 WeakPolarHBondContact O-CB 3.45Å; G10-T13 PolarHBondContact O-N 2.96Å; G10-I14 WeakPolarHBondContact O-CG1 3.38Å; G10-I14 PolarHBondContact O-N 3.24Å; G10-I14 VanDerWaalsContact O-N 3.15Å
11V91.1Very high81.4Confident70 Ų7064.1 Ų64.142%0.42433%0.328SS..Hα-helixtrans-62.6-44.6174.81780000111.6G7 S8 Y9 T13 I14 I15 V56G7-V11 PolarHBondContact O-N 3.42Å; S8-V11 PolarHBondContact O-N 3.32Å; Y9-V11 VanDerWaalsContact C-N 3.34Å; Y9-V11 PolarHBondContact O-N 3.14Å; V11-T13 VanDerWaalsContact C-N 3.28Å; V11-T13 PolarHBondContact O-N 3.41Å; V11-I14 PolarHBondContact O-N 3.24Å; V11-I15 HydrophobicContact CG1-CD1 3.81Å; V11-I15 HydrophobicContact CG1-CG1 4.46Å; V11-I15 WeakPolarHBondContact O-CG1 3.48Å; V11-I15 PolarHBondContact O-N 3.46Å; V11-V56 HydrophobicContact CG2-CG2 3.92Å
12M90.5Very high84.1Confident93 Ų9361.6 Ų61.646%0.45831%0.312SS..Hα-helixtrans-61.1-38176.9-176.1179.960.900111.9S8 Y9 I15 S16 T167S8-M12 PolarHBondContact O-N 3.19Å; Y9-M12 HydrophobicContact CD2-CE 3.49Å; Y9-M12 VanDerWaalsContact CD2-CE 3.49Å; Y9-M12 HydrophobicContact CE2-CE 3.81Å; Y9-M12 PolarHBondContact O-N 3.29Å; M12-I15 PolarHBondContact O-N 3.4Å; M12-S16 VanDerWaalsContact O-CB 3.26Å; M12-S16 WeakPolarHBondContact O-CB 3.33Å; M12-S16 PolarHBondContact O-N 3.36Å; M12-S16 PolarHBondContact O-OG 3.02Å; M12-T167 HydrophobicContact CE-CG2 4.02Å
13T87.8Confident85.8Confident2 Ų257.8 Ų57.81%0.01229%0.292CS..Hα-helixtrans-60.5-45.6175.2-57.20000110.4Y9 G10 V11 S16 Q17Y9-T13 VanDerWaalsContact CE1-OG1 3.29Å; Y9-T13 WeakPolarHBondContact CE1-OG1 3.36Å; Y9-T13 VanDerWaalsContact CZ-OG1 3.29Å; Y9-T13 PolarHBondContact O-N 3.06Å; Y9-T13 PolarHBondContact O-OG1 2.93Å; Y9-T13 PolarHBondContact OH-OG1 3.47Å; G10-T13 WeakPolarHBondContact O-CB 3.45Å; G10-T13 PolarHBondContact O-N 2.96Å; V11-T13 VanDerWaalsContact C-N 3.28Å; V11-T13 PolarHBondContact O-N 3.41Å; T13-S16 PolarHBondContact O-OG 2.84Å; T13-S16 VanDerWaalsContact O-OG 3.06Å; T13-Q17 HydrophobicContact CG2-CG 4.43Å; T13-Q17 WeakPolarHBondContact O-CB 3.31Å; T13-Q17 WeakPolarHBondContact O-CG 3.35Å; T13-Q17 PolarHBondContact O-N 3.02Å; T13-Q17 VanDerWaalsContact O-N 3.13Å
14I93.1Very high87.4Confident23 Ų2354.1 Ų54.112%0.11827%0.274CS..Hα-helixtrans-60.3-52.4177.8-60.6171.2000110.5G10 V11 Q17 W18 T49 I53G10-I14 WeakPolarHBondContact O-CG1 3.38Å; G10-I14 PolarHBondContact O-N 3.24Å; G10-I14 VanDerWaalsContact O-N 3.15Å; V11-I14 PolarHBondContact O-N 3.24Å; I14-Q17 PolarHBondContact O-N 2.79Å; I14-W18 HydrophobicContact CG2-CD2 4.04Å; I14-W18 HydrophobicContact CG2-CH2 4.26Å; I14-W18 HydrophobicContact CG2-CZ2 3.68Å; I14-W18 VanDerWaalsContact O-CD1 3.32Å; I14-W18 PolarHBondContact O-N 2.87Å; I14-T49 HydrophobicContact CG2-CG2 4.17Å; I14-I53 HydrophobicContact CD1-CG1 4.15Å
15I92.1Very high89Confident80 Ų8052.9 Ų52.941%0.4126%0.255SS..Hα-helixtrans-63.6-48-174.7-66.4172.2000111V11 M12 Q17 W18 F19V11-I15 HydrophobicContact CG1-CD1 3.81Å; V11-I15 HydrophobicContact CG1-CG1 4.46Å; V11-I15 WeakPolarHBondContact O-CG1 3.48Å; V11-I15 PolarHBondContact O-N 3.46Å; M12-I15 PolarHBondContact O-N 3.4Å; I15-Q17 VanDerWaalsContact C-N 3.31Å; I15-Q17 PolarHBondContact O-N 3.17Å; I15-W18 PolarHBondContact O-N 2.84Å; I15-F19 HydrophobicContact CG2-CD2 3.66Å; I15-F19 HydrophobicContact CG2-CE2 3.54Å; I15-F19 VanDerWaalsContact O-CD2 3.28Å; I15-F19 WeakPolarHBondContact O-CD2 3.38Å; I15-F19 PolarHBondContact O-N 3.32Å
16S90.9Very high89.8Confident19 Ų1950.1 Ų50.113%0.13324%0.242CC..Hα-helixtrans-60.6-40.4-179.858.10000112.1M12 T13 F19 W20M12-S16 VanDerWaalsContact O-CB 3.26Å; M12-S16 WeakPolarHBondContact O-CB 3.33Å; M12-S16 PolarHBondContact O-N 3.36Å; M12-S16 PolarHBondContact O-OG 3.02Å; T13-S16 PolarHBondContact O-OG 2.84Å; T13-S16 VanDerWaalsContact O-OG 3.06Å; S16-F19 PolarHBondContact O-N 3.48Å; S16-W20 WeakPolarHBondContact O-CB 3.44Å; S16-W20 PolarHBondContact O-N 3.1Å
17Q91.8Very high90.3Very high2 Ų249.3 Ų49.31%0.00924%0.237CC..Hα-helixtrans-73.1-30.7178.8-62.8-60.5-26.200112.4T13 I14 I15 C21 Y48 T170T13-Q17 HydrophobicContact CG2-CG 4.43Å; T13-Q17 WeakPolarHBondContact O-CB 3.31Å; T13-Q17 WeakPolarHBondContact O-CG 3.35Å; T13-Q17 PolarHBondContact O-N 3.02Å; T13-Q17 VanDerWaalsContact O-N 3.13Å; I14-Q17 PolarHBondContact O-N 2.79Å; I15-Q17 VanDerWaalsContact C-N 3.31Å; I15-Q17 PolarHBondContact O-N 3.17Å; Q17-C21 WeakPolarHBondContact O-CB 3.41Å; Q17-C21 PolarHBondContact O-N 2.85Å; Q17-Y48 HydrophobicContact CB-CD2 4.14Å; Q17-Y48 HydrophobicContact CB-CG 4.19Å; Q17-Y48 HydrophobicContact CG-CD1 4.28Å; Q17-Y48 HydrophobicContact CG-CD2 3.74Å; Q17-Y48 HydrophobicContact CG-CE2 4.4Å; Q17-Y48 HydrophobicContact CG-CG 3.68Å; Q17-T170 PolarHBondContact NE2-OG1 3.19Å
18W93.6Very high90.6Very high146 Ų14649.2 Ų49.255%0.55323%0.234SC*.Hα-helixtrans-65.5-44.8170.4-73.47.6000112I14 I15 C21 F22 T49I14-W18 HydrophobicContact CG2-CD2 4.04Å; I14-W18 HydrophobicContact CG2-CH2 4.26Å; I14-W18 HydrophobicContact CG2-CZ2 3.68Å; I14-W18 VanDerWaalsContact O-CD1 3.32Å; I14-W18 PolarHBondContact O-N 2.87Å; I15-W18 PolarHBondContact O-N 2.84Å; W18-C21 PolarHBondContact O-N 3.2Å; W18-F22 WeakPolarHBondContact O-CB 3.42Å; W18-F22 PolarHBondContact O-N 2.81Å; W18-T49 HydrophobicContact CZ2-CG2 4.19Å; W18-T49 PolarHBondContact NE1-OG1 3.47Å
19F93.3Very high90.6Very high127 Ų12752 Ų5256%0.55724%0.237SC*.Hα-helixtrans-60.4-46.3173.9-84.9-68.1000111.7I15 S16 C21 F22 M23 L174I15-F19 HydrophobicContact CG2-CD2 3.66Å; I15-F19 HydrophobicContact CG2-CE2 3.54Å; I15-F19 VanDerWaalsContact O-CD2 3.28Å; I15-F19 WeakPolarHBondContact O-CD2 3.38Å; I15-F19 PolarHBondContact O-N 3.32Å; S16-F19 PolarHBondContact O-N 3.48Å; F19-C21 VanDerWaalsContact C-N 3.35Å; F19-C21 PolarHBondContact O-N 3.29Å; F19-F22 PolarHBondContact O-N 2.93Å; F19-M23 WeakPolarHBondContact O-CG 3.41Å; F19-M23 PolarHBondContact O-N 3.25Å; F19-L174 HydrophobicContact CB-CD1 4.24Å
20W93.8Very high90.3Very high3 Ų355.6 Ų55.61%0.01126%0.255CS..Hα-helixtrans-59-46.5176.3-173.995.5000111.7S16 F22 M23 M24 I44 L91 I92 T170 E173 L174S16-W20 WeakPolarHBondContact O-CB 3.44Å; S16-W20 PolarHBondContact O-N 3.1Å; W20-F22 PolarHBondContact O-N 3.29Å; W20-M23 PolarHBondContact O-N 2.97Å; W20-M24 HydrophobicContact CD2-CE 4.21Å; W20-M24 VanDerWaalsContact CE2-CE 3.44Å; W20-M24 HydrophobicContact CE3-CB 4.37Å; W20-M24 HydrophobicContact CH2-CE 3.83Å; W20-M24 HydrophobicContact CH2-CG 4.2Å; W20-M24 HydrophobicContact CZ2-CE 3.25Å; W20-M24 HydrophobicContact CZ3-CB 4.36Å; W20-M24 HydrophobicContact CZ3-CG 4.36Å; W20-M24 WeakPolarHBondContact O-CB 3.48Å; W20-M24 PolarHBondContact O-N 3.46Å; W20-I44 HydrophobicContact CZ3-CG2 4.39Å; W20-L91 HydrophobicContact CH2-CB 4.42Å; W20-L91 HydrophobicContact CH2-CD1 4.14Å; W20-L91 HydrophobicContact CZ3-CD1 4.44Å; W20-I92 HydrophobicContact CZ2-CD1 4.24Å; W20-I92 HydrophobicContact CZ2-CG1 4.14Å; W20-T170 HydrophobicContact CB-CG2 3.7Å; W20-T170 HydrophobicContact CG-CG2 3.77Å; W20-E173 PolarHBondContact NE1-OE2 3.19Å; W20-L174 HydrophobicContact CB-CD1 4.5Å; W20-L174 HydrophobicContact CB-CD2 4.27Å; W20-L174 HydrophobicContact CB-CG 4.34Å
21C93.6Very high90Very high13 Ų1362.2 Ų62.29%0.08828%0.284CS..Hα-helixtrans-60.9-44.5178179.80000111.9Q17 W18 F19 R25 C41Q17-C21 WeakPolarHBondContact O-CB 3.41Å; Q17-C21 PolarHBondContact O-N 2.85Å; W18-C21 PolarHBondContact O-N 3.2Å; F19-C21 VanDerWaalsContact C-N 3.35Å; F19-C21 PolarHBondContact O-N 3.29Å; C21-R25 WeakPolarHBondContact O-CB 3.42Å; C21-R25 WeakPolarHBondContact O-CG 3.48Å; C21-R25 PolarHBondContact O-N 3Å; C21-C41 PolarHBondContact SG-O 3.46Å
22F92.4Very high89.3Confident132 Ų13261.2 Ų61.258%0.57928%0.28SS*.Hα-helixtrans-59.9-50.7177.2177.1-100.1000111.9W18 F19 W20 R25 K26W18-F22 WeakPolarHBondContact O-CB 3.42Å; W18-F22 PolarHBondContact O-N 2.81Å; F19-F22 PolarHBondContact O-N 2.93Å; W20-F22 PolarHBondContact O-N 3.29Å; F22-R25 PolarHBondContact O-N 3.35Å; F22-K26 PolarHBondContact O-N 3.13Å; F22-K26 VanDerWaalsContact O-N 3.09Å
23M90.8Very high88.6Confident34 Ų3466.2 Ų66.217%0.16730%0.303CS..Hα-helixtrans-64.8-44.4-179.1-74.5-63.3-74.200112.2F19 W20 R25 K26 K27 L174 E178F19-M23 WeakPolarHBondContact O-CG 3.41Å; F19-M23 PolarHBondContact O-N 3.25Å; W20-M23 PolarHBondContact O-N 2.97Å; M23-R25 VanDerWaalsContact C-N 3.33Å; M23-R25 PolarHBondContact O-N 3.37Å; M23-K26 WeakPolarHBondContact O-CB 3.04Å; M23-K26 PolarHBondContact O-N 3.04Å; M23-K27 PolarHBondContact O-N 3.42Å; M23-L174 HydrophobicContact CB-CD2 3.91Å; M23-L174 HydrophobicContact CG-CD2 3.83Å; M23-E178 HydrophobicContact CE-CG 3.92Å
24M90.7Very high88.4Confident3 Ų368.5 Ų68.52%0.01532%0.318CS..Hα-helixtrans-61-42.7177.7-168.463.26100111.7W20 K26 K27 L28 N95 F96W20-M24 HydrophobicContact CD2-CE 4.21Å; W20-M24 VanDerWaalsContact CE2-CE 3.44Å; W20-M24 HydrophobicContact CE3-CB 4.37Å; W20-M24 HydrophobicContact CH2-CE 3.83Å; W20-M24 HydrophobicContact CH2-CG 4.2Å; W20-M24 HydrophobicContact CZ2-CE 3.25Å; W20-M24 HydrophobicContact CZ3-CB 4.36Å; W20-M24 HydrophobicContact CZ3-CG 4.36Å; W20-M24 WeakPolarHBondContact O-CB 3.48Å; W20-M24 PolarHBondContact O-N 3.46Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 2.91Å; M24-K27 PolarHBondContact O-N 2.98Å; M24-L28 HydrophobicContact CG-CD1 4.08Å; M24-L28 HydrophobicContact CG-CG 4.45Å; M24-L28 WeakPolarHBondContact O-CB 3.41Å; M24-L28 VanDerWaalsContact O-CG 3.27Å; M24-L28 WeakPolarHBondContact O-CG 3.07Å; M24-L28 PolarHBondContact O-N 3.15Å; M24-N95 HydrophobicContact SD-CB 4.28Å; M24-F96 HydrophobicContact CE-CD2 4.42Å; M24-F96 HydrophobicContact CE-CE2 3.32Å; M24-F96 HydrophobicContact CE-CZ 3.84Å; M24-F96 HydrophobicContact SD-CE2 3.87Å
25R91.1Very high88.2Confident74 Ų7474 Ų7428%0.27934%0.342SS..Hα-helixtrans-62.9-40.4176.4-75.1174.966.7-154.3-0112.3C21 F22 M23 K27 L28 K29 C41C21-R25 WeakPolarHBondContact O-CB 3.42Å; C21-R25 WeakPolarHBondContact O-CG 3.48Å; C21-R25 PolarHBondContact O-N 3Å; F22-R25 PolarHBondContact O-N 3.35Å; M23-R25 VanDerWaalsContact C-N 3.33Å; M23-R25 PolarHBondContact O-N 3.37Å; R25-K27 VanDerWaalsContact C-N 3.33Å; R25-L28 PolarHBondContact O-N 3.48Å; R25-K29 WeakPolarHBondContact O-CG 3.4Å; R25-K29 PolarHBondContact O-N 2.94Å; R25-C41 HydrophobicContact CG-CB 3.85Å
26K88Confident88.1Confident78 Ų7875.8 Ų75.834%0.33935%0.351SS..Hα-helixtrans-59.7-46.5175.7-172.7-179.2176.9-173.90110.6F22 M23 M24 K29 Q30 Y181F22-K26 PolarHBondContact O-N 3.13Å; F22-K26 VanDerWaalsContact O-N 3.09Å; M23-K26 WeakPolarHBondContact O-CB 3.04Å; M23-K26 PolarHBondContact O-N 3.04Å; M24-K26 VanDerWaalsContact C-N 3.35Å; M24-K26 PolarHBondContact O-N 2.91Å; K26-K29 PolarHBondContact O-N 3.27Å; K26-Q30 PolarHBondContact O-N 3.49Å; K26-Y181 PolarHBondContact NZ-OH 3.48Å; K26-Y181 VanDerWaalsContact NZ-OH 3.15Å
27K86.5Confident88.1Confident31 Ų3176.3 Ų76.314%0.13535%0.353CS..Hα-helixtrans-64-42.6176.8-173.4165.9177.7-178.50112.9M23 M24 R25 K29 Q30 K31 N95 C177M23-K27 PolarHBondContact O-N 3.42Å; M24-K27 PolarHBondContact O-N 2.98Å; R25-K27 VanDerWaalsContact C-N 3.33Å; K27-K29 PolarHBondContact O-N 3.36Å; K27-Q30 PolarHBondContact O-N 3.44Å; K27-K31 PolarHBondContact O-N 3.27Å; K27-K31 VanDerWaalsContact O-N 3.1Å; K27-N95 WeakPolarHBondContact CE-O 3.32Å; K27-N95 PolarHBondContact NZ-O 3.29Å; K27-C177 VanDerWaalsContact CD-SG 3.57Å
28L87.9Confident88.1Confident7 Ų777.6 Ų77.64%0.03736%0.36CS..Hα-helixtrans-60.3-43176.2-77.5168.1000112.1M24 R25 Q30 K31 S32 P37 Q38 C41 N95M24-L28 HydrophobicContact CG-CD1 4.08Å; M24-L28 HydrophobicContact CG-CG 4.45Å; M24-L28 WeakPolarHBondContact O-CB 3.41Å; M24-L28 VanDerWaalsContact O-CG 3.27Å; M24-L28 WeakPolarHBondContact O-CG 3.07Å; M24-L28 PolarHBondContact O-N 3.15Å; R25-L28 PolarHBondContact O-N 3.48Å; L28-Q30 VanDerWaalsContact C-N 3.26Å; L28-Q30 PolarHBondContact O-N 3.06Å; L28-K31 PolarHBondContact O-N 3Å; L28-S32 PolarHBondContact O-N 3.45Å; L28-S32 VanDerWaalsContact O-O 3.11Å; L28-P37 HydrophobicContact CD1-CB 3.79Å; L28-P37 HydrophobicContact CD2-CB 3.6Å; L28-P37 HydrophobicContact CD2-CG 4.38Å; L28-P37 HydrophobicContact CG-CB 4.27Å; L28-Q38 HydrophobicContact CB-CG 4.35Å; L28-C41 HydrophobicContact CD1-CB 4.44Å; L28-N95 VanDerWaalsContact CD2-ND2 3.31Å; L28-N95 WeakPolarHBondContact CD2-ND2 3.25Å; L28-N95 WeakPolarHBondContact CD2-OD1 3.42Å
29K86.1Confident88Confident127 Ų12777.9 Ų77.955%0.55236%0.362SS*.Hα-helixtrans-61.6-32.9176.6-76.9178.1178.8-173.20113R25 K26 K27 Q38R25-K29 WeakPolarHBondContact O-CG 3.4Å; R25-K29 PolarHBondContact O-N 2.94Å; K26-K29 PolarHBondContact O-N 3.27Å; K27-K29 PolarHBondContact O-N 3.36Å; K29-Q38 VanDerWaalsContact CE-OE1 3.23Å
30Q83Confident88.1Confident103 Ų10374.6 Ų74.648%0.48135%0.349SS..Hα-helixtrans-75.5-35.6177.6-71165.7-4.800112.1K26 K27 L28K26-Q30 PolarHBondContact O-N 3.49Å; K27-Q30 PolarHBondContact O-N 3.44Å; L28-Q30 VanDerWaalsContact C-N 3.26Å; L28-Q30 PolarHBondContact O-N 3.06Å
31K82Confident88.1Confident139 Ų13974.4 Ų74.460%0.60435%0.349SS*.Hα-helixtrans-88.2-33.6-175.1-170175.9180179.40113.8K27 L28 C94K27-K31 PolarHBondContact O-N 3.27Å; K27-K31 VanDerWaalsContact O-N 3.1Å; L28-K31 PolarHBondContact O-N 3Å; K31-C94 PolarHBondContact NZ-O 3.22Å
32S77Confident88.2Confident50 Ų5076.8 Ų76.835%0.3536%0.36SS..  trans-139.7139.7-172.1-172.80000112L28 S34L28-S32 PolarHBondContact O-N 3.45Å; L28-S32 VanDerWaalsContact O-O 3.11Å; S32-S34 PolarHBondContact O-N 3.44Å; S32-S34 WeakPolarHBondContact OG-CB 3.35Å; S32-S34 PolarHBondContact OG-N 3.25Å; S32-S34 VanDerWaalsContact OG-N 3.14Å
33Q75.4Confident88.4Confident198 Ų19875.3 Ų75.393%0.92535%0.353SS*.SBendtrans-76.4-11.4169.1-65.9-159.9-4.100113.1K35Q33-K35 PolarHBondContact O-N 3.39Å
34S83.9Confident88.6Confident49 Ų4973.7 Ų73.734%0.34335%0.345SS..  trans-68.1133.1-179.3-176.20000111.5S32 I36S32-S34 PolarHBondContact O-N 3.44Å; S32-S34 WeakPolarHBondContact OG-CB 3.35Å; S32-S34 PolarHBondContact OG-N 3.25Å; S32-S34 VanDerWaalsContact OG-N 3.14Å; S34-I36 PolarHBondContact OG-N 3.37Å
35K87.6Confident88.8Confident140 Ų14073.9 Ų73.961%0.60935%0.348SS*.SBendtrans-82.2-19.4174.8-63.3-172.8-179.3177.30112.7Q33 Q38 Y39Q33-K35 PolarHBondContact O-N 3.39Å; K35-Q38 WeakPolarHBondContact O-CB 3.46Å; K35-Q38 PolarHBondContact O-N 3.49Å; K35-Y39 HydrophobicContact CB-CD2 4.22Å; K35-Y39 HydrophobicContact CB-CE2 3.74Å; K35-Y39 VanDerWaalsContact O-CD2 3.23Å; K35-Y39 WeakPolarHBondContact O-CD2 3.3Å; K35-Y39 PolarHBondContact O-N 3.02Å; K35-Y39 VanDerWaalsContact O-N 3.11Å
36I90.7Very high89Confident116 Ų11675.1 Ų75.160%0.59536%0.36SS*.Hα-helixtrans-57-50.6-175.2-62.8169.8000112S34 Q38 Y39 I40S34-I36 PolarHBondContact OG-N 3.37Å; I36-Q38 PolarHBondContact O-N 3.45Å; I36-Y39 PolarHBondContact O-N 2.99Å; I36-Y39 VanDerWaalsContact O-N 3.1Å; I36-I40 HydrophobicContact CG2-CD1 4.03Å; I36-I40 HydrophobicContact CG2-CG1 4.49Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 2.93Å
37P90.4Very high89.4Confident30 Ų3072.1 Ų72.120%0.19535%0.347CS..Hα-helixtrans-61.3-30.1178.6-23.835.5000113.2L28 I40 C41 L91L28-P37 HydrophobicContact CD1-CB 3.79Å; L28-P37 HydrophobicContact CD2-CB 3.6Å; L28-P37 HydrophobicContact CD2-CG 4.38Å; L28-P37 HydrophobicContact CG-CB 4.27Å; P37-I40 PolarHBondContact O-N 3.16Å; P37-C41 WeakPolarHBondContact O-CB 3.46Å; P37-C41 PolarHBondContact O-N 3.49Å; P37-L91 HydrophobicContact CB-CD2 4.11Å
38Q91.3Very high89.8Confident30 Ų3070.7 Ų70.714%0.1434%0.341CS..Hα-helixtrans-69.9-39.2177.5-57.2179.537.500111.2L28 K29 K35 I36 C41 I42L28-Q38 HydrophobicContact CB-CG 4.35Å; K29-Q38 VanDerWaalsContact CE-OE1 3.23Å; K35-Q38 WeakPolarHBondContact O-CB 3.46Å; K35-Q38 PolarHBondContact O-N 3.49Å; I36-Q38 PolarHBondContact O-N 3.45Å; Q38-C41 WeakPolarHBondContact O-CB 3.39Å; Q38-C41 PolarHBondContact O-N 2.98Å; Q38-I42 WeakPolarHBondContact O-CG1 3.47Å; Q38-I42 PolarHBondContact O-N 3.47Å
39Y93.5Very high90.2Very high152 Ų15271.4 Ų71.460%0.59635%0.346SS*.Hα-helixtrans-65.8-42.4173.6-69.4-60.6000112K35 I36 C41 I42 F43K35-Y39 HydrophobicContact CB-CD2 4.22Å; K35-Y39 HydrophobicContact CB-CE2 3.74Å; K35-Y39 VanDerWaalsContact O-CD2 3.23Å; K35-Y39 WeakPolarHBondContact O-CD2 3.3Å; K35-Y39 PolarHBondContact O-N 3.02Å; K35-Y39 VanDerWaalsContact O-N 3.11Å; I36-Y39 PolarHBondContact O-N 2.99Å; I36-Y39 VanDerWaalsContact O-N 3.1Å; Y39-C41 VanDerWaalsContact C-N 3.25Å; Y39-C41 PolarHBondContact O-N 3.24Å; Y39-I42 PolarHBondContact O-N 3.38Å; Y39-F43 WeakPolarHBondContact O-CB 3.09Å; Y39-F43 PolarHBondContact O-N 3.29Å
40I94.2Very high90.6Very high57 Ų5769.7 Ų69.729%0.29234%0.342SS..Hα-helixtrans-57.9-43173.8-64.3171.6000110I36 P37 I42 F43 I44 L87 L91I36-I40 HydrophobicContact CG2-CD1 4.03Å; I36-I40 HydrophobicContact CG2-CG1 4.49Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 2.93Å; P37-I40 PolarHBondContact O-N 3.16Å; I40-I42 PolarHBondContact O-N 3.46Å; I40-F43 PolarHBondContact O-N 2.68Å; I40-I44 HydrophobicContact CG2-CD1 3.81Å; I40-I44 HydrophobicContact CG2-CG1 4.42Å; I40-I44 WeakPolarHBondContact O-CD1 3.5Å; I40-I44 VanDerWaalsContact O-CG1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.43Å; I40-I44 PolarHBondContact O-N 2.9Å; I40-L87 HydrophobicContact CG2-CB 4.34Å; I40-L91 HydrophobicContact CG2-CD1 4.16Å; I40-L91 HydrophobicContact CG2-CD2 4.36Å; I40-L91 HydrophobicContact CG2-CG 4.29Å
41C93.9Very high91.2Very high0 Ų064.8 Ų64.80%032%0.319CS..Hα-helixtrans-62.5-43.1178.1-1610000112.8C21 R25 L28 P37 Q38 Y39 I44 G45 L91C21-C41 PolarHBondContact SG-O 3.46Å; R25-C41 HydrophobicContact CG-CB 3.85Å; L28-C41 HydrophobicContact CD1-CB 4.44Å; P37-C41 WeakPolarHBondContact O-CB 3.46Å; P37-C41 PolarHBondContact O-N 3.49Å; Q38-C41 WeakPolarHBondContact O-CB 3.39Å; Q38-C41 PolarHBondContact O-N 2.98Å; Y39-C41 VanDerWaalsContact C-N 3.25Å; Y39-C41 PolarHBondContact O-N 3.24Å; C41-I44 PolarHBondContact O-N 2.9Å; C41-G45 PolarHBondContact O-N 2.75Å; C41-L91 HydrophobicContact CB-CD1 4.05Å
42I94.7Very high91.7Very high63 Ų6358.1 Ų58.132%0.32329%0.29SS..Hα-helixtrans-63.3-44.7175.3-66.8166.6000110.4Q38 Y39 I40 I44 G45 L46Q38-I42 WeakPolarHBondContact O-CG1 3.47Å; Q38-I42 PolarHBondContact O-N 3.47Å; Y39-I42 PolarHBondContact O-N 3.38Å; I40-I42 PolarHBondContact O-N 3.46Å; I42-I44 PolarHBondContact O-N 3.38Å; I42-G45 PolarHBondContact O-N 3.1Å; I42-G45 VanDerWaalsContact O-N 3.13Å; I42-L46 HydrophobicContact CG2-CD1 4.34Å; I42-L46 PolarHBondContact O-N 2.68Å
43F96.7Very high92.5Very high100 Ų10059.7 Ų59.744%0.43929%0.293SS..Hα-helixtrans-59.3-46.4178178.3-103.1000111.9Y39 I40 G45 L46 V47 V83 L87Y39-F43 WeakPolarHBondContact O-CB 3.09Å; Y39-F43 PolarHBondContact O-N 3.29Å; I40-F43 PolarHBondContact O-N 2.68Å; F43-G45 VanDerWaalsContact C-N 3.3Å; F43-G45 PolarHBondContact O-N 2.74Å; F43-L46 WeakPolarHBondContact O-CB 3.34Å; F43-L46 PolarHBondContact O-N 3.17Å; F43-L46 VanDerWaalsContact O-N 3.16Å; F43-V47 HydrophobicContact CD1-CG2 4.23Å; F43-V47 HydrophobicContact CE1-CG2 3.81Å; F43-V47 HydrophobicContact CE2-CG2 4.11Å; F43-V47 HydrophobicContact CZ-CG2 3.74Å; F43-V47 WeakPolarHBondContact O-CG2 3.38Å; F43-V47 PolarHBondContact O-N 3.03Å; F43-V83 HydrophobicContact CE1-CG1 3.81Å; F43-V83 HydrophobicContact CZ-CG1 4.31Å; F43-L87 HydrophobicContact CD1-CD1 3.77Å; F43-L87 HydrophobicContact CE1-CD1 3.73Å
44I95.2Very high93.4Very high1 Ų150.7 Ų50.71%0.00525%0.252CS..Hα-helixtrans-56.8-45.5173.6-69159.4000110.8W20 I40 C41 I42 L46 V47 Y48 A84 L87 L91W20-I44 HydrophobicContact CZ3-CG2 4.39Å; I40-I44 HydrophobicContact CG2-CD1 3.81Å; I40-I44 HydrophobicContact CG2-CG1 4.42Å; I40-I44 WeakPolarHBondContact O-CD1 3.5Å; I40-I44 VanDerWaalsContact O-CG1 3.28Å; I40-I44 WeakPolarHBondContact O-CG1 3.43Å; I40-I44 PolarHBondContact O-N 2.9Å; C41-I44 PolarHBondContact O-N 2.9Å; I42-I44 PolarHBondContact O-N 3.38Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 2.98Å; I44-V47 PolarHBondContact O-N 3.45Å; I44-Y48 HydrophobicContact CG2-CD2 3.62Å; I44-Y48 HydrophobicContact CG2-CE2 3.7Å; I44-Y48 PolarHBondContact O-N 3.36Å; I44-A84 HydrophobicContact CG2-CB 4.47Å; I44-L87 HydrophobicContact CD1-CB 3.78Å; I44-L87 HydrophobicContact CG1-CB 3.79Å; I44-L87 HydrophobicContact CG1-CD1 4.41Å; I44-L91 HydrophobicContact CD1-CD1 3.59Å; I44-L91 HydrophobicContact CD1-CG 4.38Å
45G94.8Very high93.7Very high6 Ų648.5 Ų48.56%0.06224%0.237CC..Hα-helixtrans-58.6-41.2177.200000112.8C41 I42 F43 T49C41-G45 PolarHBondContact O-N 2.75Å; I42-G45 PolarHBondContact O-N 3.1Å; I42-G45 VanDerWaalsContact O-N 3.13Å; F43-G45 VanDerWaalsContact C-N 3.3Å; F43-G45 PolarHBondContact O-N 2.74Å; G45-T49 WeakPolarHBondContact O-CB 3.43Å; G45-T49 PolarHBondContact O-N 3.05Å; G45-T49 PolarHBondContact O-OG1 3.2Å
46L96.2Very high93.9Very high101 Ų10143.3 Ų43.353%0.52922%0.217SC..Hα-helixtrans-65.4-46.4175.2-70.4172000111.9I42 F43 I44 Y48 T49 I50I42-L46 HydrophobicContact CG2-CD1 4.34Å; I42-L46 PolarHBondContact O-N 2.68Å; F43-L46 WeakPolarHBondContact O-CB 3.34Å; F43-L46 PolarHBondContact O-N 3.17Å; F43-L46 VanDerWaalsContact O-N 3.16Å; I44-L46 VanDerWaalsContact C-N 3.31Å; I44-L46 PolarHBondContact O-N 2.98Å; L46-Y48 VanDerWaalsContact C-N 3.33Å; L46-Y48 PolarHBondContact O-N 3.28Å; L46-T49 WeakPolarHBondContact O-CB 3.27Å; L46-T49 PolarHBondContact O-N 2.8Å; L46-I50 WeakPolarHBondContact O-CG1 3.4Å; L46-I50 PolarHBondContact O-N 2.86Å
47V96.4Very high93.9Very high14 Ų1440.8 Ų40.89%0.08520%0.204CC..Hα-helixtrans-60-43.7178.5174.70000111.1F43 I44 T49 I50 S51 C80 A84F43-V47 HydrophobicContact CD1-CG2 4.23Å; F43-V47 HydrophobicContact CE1-CG2 3.81Å; F43-V47 HydrophobicContact CE2-CG2 4.11Å; F43-V47 HydrophobicContact CZ-CG2 3.74Å; F43-V47 WeakPolarHBondContact O-CG2 3.38Å; F43-V47 PolarHBondContact O-N 3.03Å; I44-V47 PolarHBondContact O-N 3.45Å; V47-T49 VanDerWaalsContact C-N 3.31Å; V47-T49 PolarHBondContact O-N 3.38Å; V47-I50 PolarHBondContact O-N 2.83Å; V47-S51 PolarHBondContact O-N 3.09Å; V47-C80 HydrophobicContact CG1-CB 3.62Å; V47-C80 WeakPolarHBondContact CG1-O 3.5Å; V47-A84 HydrophobicContact CB-CB 4.49Å; V47-A84 HydrophobicContact CG1-CB 3.95Å
48Y94.8Very high93.7Very high1 Ų140.3 Ų40.30%0.00420%0.2CC..Hα-helixtrans-69.5-28174.9-83-52.7000113.7Q17 I44 L46 S51 G52 H81 A84 I85Q17-Y48 HydrophobicContact CB-CD2 4.14Å; Q17-Y48 HydrophobicContact CB-CG 4.19Å; Q17-Y48 HydrophobicContact CG-CD1 4.28Å; Q17-Y48 HydrophobicContact CG-CD2 3.74Å; Q17-Y48 HydrophobicContact CG-CE2 4.4Å; Q17-Y48 HydrophobicContact CG-CG 3.68Å; I44-Y48 HydrophobicContact CG2-CD2 3.62Å; I44-Y48 HydrophobicContact CG2-CE2 3.7Å; I44-Y48 PolarHBondContact O-N 3.36Å; L46-Y48 VanDerWaalsContact C-N 3.33Å; L46-Y48 PolarHBondContact O-N 3.28Å; Y48-S51 PolarHBondContact O-N 3.41Å; Y48-G52 PolarHBondContact O-N 3.18Å; Y48-H81 AromaticContact CE1-CE1 3.68Å; Y48-H81 AromaticContact CE1-ND1 3.58Å; Y48-A84 HydrophobicContact CD1-CB 4.25Å; Y48-A84 HydrophobicContact CD2-CB 4Å; Y48-A84 HydrophobicContact CE1-CB 3.81Å; Y48-A84 HydrophobicContact CE2-CB 3.57Å; Y48-A84 HydrophobicContact CG-CB 4.32Å; Y48-A84 VanDerWaalsContact CZ-CB 3.45Å; Y48-I85 WeakPolarHBondContact OH-CG1 3.35Å
49T95.7Very high93.5Very high22 Ų2239.7 Ų39.714%0.13520%0.199CC..Hα-helixtrans-64.4-44.8172.5-55.60000110.3I14 W18 G45 L46 V47 G52 I53I14-T49 HydrophobicContact CG2-CG2 4.17Å; W18-T49 HydrophobicContact CZ2-CG2 4.19Å; W18-T49 PolarHBondContact NE1-OG1 3.47Å; G45-T49 WeakPolarHBondContact O-CB 3.43Å; G45-T49 PolarHBondContact O-N 3.05Å; G45-T49 PolarHBondContact O-OG1 3.2Å; L46-T49 WeakPolarHBondContact O-CB 3.27Å; L46-T49 PolarHBondContact O-N 2.8Å; V47-T49 VanDerWaalsContact C-N 3.31Å; V47-T49 PolarHBondContact O-N 3.38Å; T49-G52 PolarHBondContact O-N 2.95Å; T49-I53 HydrophobicContact CG2-CD1 4.08Å; T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.26Å; T49-I53 PolarHBondContact O-N 2.82Å
50I96.1Very high93Very high91 Ų9139.8 Ų39.847%0.46720%0.203SC..Hα-helixtrans-61.1-47.3175.5-63.9167.4000110.3L46 V47 G52 I53 C54L46-I50 WeakPolarHBondContact O-CG1 3.4Å; L46-I50 PolarHBondContact O-N 2.86Å; V47-I50 PolarHBondContact O-N 2.83Å; I50-G52 PolarHBondContact O-N 3.38Å; I50-I53 PolarHBondContact O-N 3.13Å; I50-C54 PolarHBondContact O-N 3.37Å; I50-C54 PolarHBondContact O-SG 3.31Å
51S94.2Very high92.2Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-53.6-50.3173.8162.40000112.1V47 Y48 I53 C54 I55 N77 H81V47-S51 PolarHBondContact O-N 3.09Å; Y48-S51 PolarHBondContact O-N 3.41Å; S51-I53 VanDerWaalsContact C-N 3.33Å; S51-I53 PolarHBondContact O-N 3.43Å; S51-C54 WeakPolarHBondContact O-CB 3.42Å; S51-C54 PolarHBondContact O-N 2.99Å; S51-C54 VanDerWaalsContact O-N 3.12Å; S51-I55 WeakPolarHBondContact O-CG1 3.29Å; S51-I55 PolarHBondContact O-N 3.48Å; S51-N77 VanDerWaalsContact CB-OD1 3.32Å; S51-N77 WeakPolarHBondContact CB-OD1 3.46Å; S51-N77 PolarHBondContact O-OD1 3.27Å; S51-N77 PolarHBondContact OG-OD1 2.91Å; S51-H81 PolarHBondContact OG-NE2 3.33Å; S51-H81 VanDerWaalsContact OG-NE2 3.14Å
52G93.5Very high91.1Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-61.2-39.817800000113.1Y48 T49 I50 I55 V56Y48-G52 PolarHBondContact O-N 3.18Å; T49-G52 PolarHBondContact O-N 2.95Å; I50-G52 PolarHBondContact O-N 3.38Å; G52-I55 PolarHBondContact O-N 3.47Å; G52-V56 WeakPolarHBondContact O-CG2 3.19Å; G52-V56 PolarHBondContact O-N 2.91Å
53I94.2Very high89.8Confident82 Ų8242.4 Ų42.442%0.42121%0.214SC..Hα-helixtrans-62.9-44.4173.3-68.1165.4000110.6I14 T49 I50 S51 I55 V56 L57I14-I53 HydrophobicContact CD1-CG1 4.15Å; T49-I53 HydrophobicContact CG2-CD1 4.08Å; T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.26Å; T49-I53 PolarHBondContact O-N 2.82Å; I50-I53 PolarHBondContact O-N 3.13Å; S51-I53 VanDerWaalsContact C-N 3.33Å; S51-I53 PolarHBondContact O-N 3.43Å; I53-I55 VanDerWaalsContact C-N 3.28Å; I53-I55 PolarHBondContact O-N 3.5Å; I53-V56 PolarHBondContact O-N 2.94Å; I53-L57 HydrophobicContact CG2-CD1 3.95Å; I53-L57 HydrophobicContact CG2-CG 4.24Å; I53-L57 WeakPolarHBondContact O-CG 3.42Å; I53-L57 PolarHBondContact O-N 3.37Å
54C93Very high88.4Confident9 Ų943.9 Ų43.96%0.06122%0.22CC..Hα-helixtrans-56.7-44.5175.8-68.10000111.3I50 S51 L57 L58 L73 N77I50-C54 PolarHBondContact O-N 3.37Å; I50-C54 PolarHBondContact O-SG 3.31Å; S51-C54 WeakPolarHBondContact O-CB 3.42Å; S51-C54 PolarHBondContact O-N 2.99Å; S51-C54 VanDerWaalsContact O-N 3.12Å; C54-L57 PolarHBondContact O-N 3.29Å; C54-L58 WeakPolarHBondContact O-CB 3.49Å; C54-L58 VanDerWaalsContact O-CG 3.23Å; C54-L58 WeakPolarHBondContact O-CG 3.45Å; C54-L58 PolarHBondContact O-N 2.91Å; C54-L73 HydrophobicContact CB-CD2 4.48Å; C54-N77 HydrophobicContact CB-CB 4.16Å
55I91.2Very high87.2Confident3 Ų349.9 Ų49.92%0.01525%0.252CS..Hα-helixtrans-64.2-43177.9-66.2170.8000111.5L6 Y9 S51 G52 I53 L58 S59 L163L6-I55 HydrophobicContact CD2-CG2 4.32Å; L6-I55 WeakPolarHBondContact O-CG2 3.22Å; Y9-I55 HydrophobicContact CD1-CD1 4.33Å; Y9-I55 HydrophobicContact CD1-CG2 4.02Å; Y9-I55 HydrophobicContact CE1-CD1 3.93Å; S51-I55 WeakPolarHBondContact O-CG1 3.29Å; S51-I55 PolarHBondContact O-N 3.48Å; G52-I55 PolarHBondContact O-N 3.47Å; I53-I55 VanDerWaalsContact C-N 3.28Å; I53-I55 PolarHBondContact O-N 3.5Å; I55-L58 PolarHBondContact O-N 3.07Å; I55-S59 PolarHBondContact O-N 3.04Å; I55-L163 HydrophobicContact CD1-CD1 4.24Å; I55-L163 HydrophobicContact CD1-CD2 4.46Å
56V91.8Very high86.3Confident32 Ų3251.8 Ų51.819%0.19426%0.262CS..Hα-helixtrans-60.5-46.1174.6171.40000110.5G7 V11 G52 I53 L58 S59 F60G7-V56 WeakPolarHBondContact O-CG2 3.47Å; V11-V56 HydrophobicContact CG2-CG2 3.92Å; G52-V56 WeakPolarHBondContact O-CG2 3.19Å; G52-V56 PolarHBondContact O-N 2.91Å; I53-V56 PolarHBondContact O-N 2.94Å; V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 PolarHBondContact O-N 2.97Å; V56-S59 WeakPolarHBondContact O-CB 3.43Å; V56-S59 PolarHBondContact O-N 2.88Å; V56-S59 PolarHBondContact O-OG 3.26Å; V56-F60 HydrophobicContact CG1-CD2 4.46Å; V56-F60 HydrophobicContact CG1-CE2 3.79Å; V56-F60 WeakPolarHBondContact O-CD2 3.29Å
57L90.1Very high85.4Confident63 Ų6349.4 Ų49.433%0.3325%0.25SS..Hα-helixtrans-64.3-38.5178.5-67.7175.7000112.2I53 C54 S59 F60 F61 L73I53-L57 HydrophobicContact CG2-CD1 3.95Å; I53-L57 HydrophobicContact CG2-CG 4.24Å; I53-L57 WeakPolarHBondContact O-CG 3.42Å; I53-L57 PolarHBondContact O-N 3.37Å; C54-L57 PolarHBondContact O-N 3.29Å; L57-S59 PolarHBondContact O-N 3.1Å; L57-S59 VanDerWaalsContact O-N 3.16Å; L57-F60 PolarHBondContact O-N 3.11Å; L57-F61 HydrophobicContact CB-CD2 4.23Å; L57-F61 HydrophobicContact CB-CE2 4.2Å; L57-F61 HydrophobicContact CD2-CE2 4.19Å; L57-F61 WeakPolarHBondContact O-CD2 3.49Å; L57-F61 PolarHBondContact O-N 3.2Å; L57-F61 VanDerWaalsContact O-N 3.15Å; L57-L73 HydrophobicContact CB-CD1 3.79Å; L57-L73 HydrophobicContact CB-CD2 4.26Å; L57-L73 HydrophobicContact CD1-CD2 3.94Å
58L87.4Confident84.8Confident19 Ų1955.6 Ų55.610%0.09928%0.278CS..Hα-helixtrans-59.6-23.6173.7-73.9167.2000112.8C54 I55 V56 F60 H70 L73C54-L58 WeakPolarHBondContact O-CB 3.49Å; C54-L58 VanDerWaalsContact O-CG 3.23Å; C54-L58 WeakPolarHBondContact O-CG 3.45Å; C54-L58 PolarHBondContact O-N 2.91Å; I55-L58 PolarHBondContact O-N 3.07Å; V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 PolarHBondContact O-N 2.97Å; L58-F60 VanDerWaalsContact C-N 3.29Å; L58-F60 PolarHBondContact O-N 3.45Å; L58-H70 HydrophobicContact CD2-CB 4.37Å; L58-H70 VanDerWaalsContact CD2-CD2 3.41Å; L58-H70 WeakPolarHBondContact CD2-CD2 3.34Å; L58-L73 HydrophobicContact CD1-CB 4.41Å; L58-L73 HydrophobicContact CD2-CB 3.75Å; L58-L73 HydrophobicContact CD2-CD1 4.29Å; L58-L73 HydrophobicContact CG-CB 3.9Å; L58-L73 HydrophobicContact CG-CD1 4.41Å
59S85.7Confident84.3Confident17 Ų1759 Ų5912%0.11930%0.296CS..THydrogen-bonded Turntrans-72.5-20.2173.377.10000114.3M3 I55 V56 L57M3-S59 WeakPolarHBondContact O-CB 3.41Å; I55-S59 PolarHBondContact O-N 3.04Å; V56-S59 WeakPolarHBondContact O-CB 3.43Å; V56-S59 PolarHBondContact O-N 2.88Å; V56-S59 PolarHBondContact O-OG 3.26Å; L57-S59 PolarHBondContact O-N 3.1Å; L57-S59 VanDerWaalsContact O-N 3.16Å
60F83.1Confident83.8Confident154 Ų15459 Ų5968%0.67530%0.295SS*.THydrogen-bonded Turntrans-98.7-29.9-179.8-64.4-72.3000112.9V56 L57 L58V56-F60 HydrophobicContact CG1-CD2 4.46Å; V56-F60 HydrophobicContact CG1-CE2 3.79Å; V56-F60 WeakPolarHBondContact O-CD2 3.29Å; L57-F60 PolarHBondContact O-N 3.11Å; L58-F60 VanDerWaalsContact C-N 3.29Å; L58-F60 PolarHBondContact O-N 3.45Å
61F78Confident83.3Confident70 Ų7056.2 Ų56.231%0.30728%0.279SS..  trans-98.8124.7-175.5-65-61.6000111.5L57 T66 L69 H70 L73L57-F61 HydrophobicContact CB-CD2 4.23Å; L57-F61 HydrophobicContact CB-CE2 4.2Å; L57-F61 HydrophobicContact CD2-CE2 4.19Å; L57-F61 WeakPolarHBondContact O-CD2 3.49Å; L57-F61 PolarHBondContact O-N 3.2Å; L57-F61 VanDerWaalsContact O-N 3.15Å; F61-T66 WeakPolarHBondContact CB-OG1 3.33Å; F61-T66 HydrophobicContact CD1-CG2 4.33Å; F61-L69 HydrophobicContact CD1-CD2 3.74Å; F61-L69 HydrophobicContact CD2-CD2 3.7Å; F61-L69 HydrophobicContact CD2-CG 4.39Å; F61-L69 HydrophobicContact CE1-CD2 3.76Å; F61-L69 HydrophobicContact CE2-CD2 3.73Å; F61-L69 HydrophobicContact CG-CD2 3.72Å; F61-L69 HydrophobicContact CZ-CD2 3.76Å; F61-H70 PolarHBondContact O-CD2 3.49Å; F61-L73 HydrophobicContact CD2-CD1 3.91Å
62N71Confident83.1Confident49 Ų4960.4 Ų60.426%0.26230%0.298SS..  trans-90.9145.5179.1-164.3-3.5000111.1K64 T66N62-K64 PolarHBondContact O-N 3.21Å; N62-T66 PolarHBondContact N-OG1 3.48Å; N62-T66 PolarHBondContact O-N 3.43Å; N62-T66 PolarHBondContact O-OG1 2.68Å
63M66.5Low83Confident56 Ų5661.2 Ų61.228%0.27630%0.303SS..Hα-helixtrans-58.1-32.7175-74-162.6-52.600112.5N67 H70M63-N67 VanDerWaalsContact O-CA 3.29Å; M63-N67 WeakPolarHBondContact O-CA 3.49Å; M63-N67 WeakPolarHBondContact O-CB 3.23Å; M63-N67 PolarHBondContact O-N 2.59Å; M63-H70 HydrophobicContact CG-CB 4.47Å
64K67.5Low82.7Confident132 Ų13258 Ų5857%0.57429%0.287SS*.Hα-helixtrans-64.1-49.5-175.9-171.6-176.5176.9-172.40112.8N62 F137N62-K64 PolarHBondContact O-N 3.21Å; K64-F137 HydrophobicContact CD-CE2 4.49Å
65D70.3Confident82.5Confident127 Ų12760.3 Ų60.368%0.67930%0.298SS*.Hα-helixtrans-97-23.1-170-51.8-48000111.8
66T75.7Confident82.6Confident45 Ų4562.6 Ų62.628%0.27632%0.315SS..Hα-helixtrans-134.439.8-17250.50000112.4F61 N62 Q68 L69 H70F61-T66 WeakPolarHBondContact CB-OG1 3.33Å; F61-T66 HydrophobicContact CD1-CG2 4.33Å; N62-T66 PolarHBondContact N-OG1 3.48Å; N62-T66 PolarHBondContact O-N 3.43Å; N62-T66 PolarHBondContact O-OG1 2.68Å; T66-Q68 VanDerWaalsContact C-N 3.3Å; T66-Q68 PolarHBondContact O-N 3.33Å; T66-L69 PolarHBondContact O-N 3.03Å; T66-L69 VanDerWaalsContact O-N 3.09Å; T66-H70 PolarHBondContact O-N 2.81Å
67N77.2Confident82.6Confident52 Ų5261.4 Ų61.428%0.27831%0.307SS..Hα-helixtrans-51.8-45.4-173.8-168.143.1000113.5M63 L69 H70 F71 L128M63-N67 VanDerWaalsContact O-CA 3.29Å; M63-N67 WeakPolarHBondContact O-CA 3.49Å; M63-N67 WeakPolarHBondContact O-CB 3.23Å; M63-N67 PolarHBondContact O-N 2.59Å; N67-L69 PolarHBondContact O-N 2.92Å; N67-H70 PolarHBondContact O-N 2.94Å; N67-F71 WeakPolarHBondContact O-CB 3.47Å; N67-F71 PolarHBondContact O-N 3.49Å; N67-L128 VanDerWaalsContact ND2-CD1 3.33Å; N67-L128 WeakPolarHBondContact ND2-CD1 3.44Å
68Q83.2Confident82.7Confident144 Ų14459.6 Ų59.667%0.67330%0.297SS*.Hα-helixtrans-63.9-42.3-178.3-169.4-178.3-6.900111.8T66 F71 H72T66-Q68 VanDerWaalsContact C-N 3.3Å; T66-Q68 PolarHBondContact O-N 3.33Å; Q68-F71 PolarHBondContact O-N 2.7Å; Q68-H72 PolarHBondContact NE2-NE2 3.33Å; Q68-H72 PolarHBondContact O-CD2 2.87Å; Q68-H72 PolarHBondContact O-N 3.44Å
69L85.7Confident82.9Confident73 Ų7363.3 Ų63.338%0.38232%0.316SS..Hα-helixtrans-65.8-44.2176.2-177.662.9000111F61 T66 N67 F71 H72 L73F61-L69 HydrophobicContact CD1-CD2 3.74Å; F61-L69 HydrophobicContact CD2-CD2 3.7Å; F61-L69 HydrophobicContact CD2-CG 4.39Å; F61-L69 HydrophobicContact CE1-CD2 3.76Å; F61-L69 HydrophobicContact CE2-CD2 3.73Å; F61-L69 HydrophobicContact CG-CD2 3.72Å; F61-L69 HydrophobicContact CZ-CD2 3.76Å; T66-L69 PolarHBondContact O-N 3.03Å; T66-L69 VanDerWaalsContact O-N 3.09Å; N67-L69 PolarHBondContact O-N 2.92Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 3.06Å; L69-H72 PolarHBondContact O-N 2.91Å; L69-L73 HydrophobicContact CD1-CD1 4.32Å; L69-L73 HydrophobicContact CD1-CG 4.32Å; L69-L73 HydrophobicContact CG-CD1 4.01Å; L69-L73 HydrophobicContact CG-CG 4.44Å; L69-L73 WeakPolarHBondContact O-CB 3.26Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 3.46Å
70H85Confident83.3Confident22 Ų2263 Ų6310%0.10231%0.314CS..Hα-helixtrans-58.9-44.2176-170.7-78.4000111.6L58 F61 M63 T66 N67 L73 T74L58-H70 HydrophobicContact CD2-CB 4.37Å; L58-H70 VanDerWaalsContact CD2-CD2 3.41Å; L58-H70 WeakPolarHBondContact CD2-CD2 3.34Å; F61-H70 PolarHBondContact O-CD2 3.49Å; M63-H70 HydrophobicContact CG-CB 4.47Å; T66-H70 PolarHBondContact O-N 2.81Å; N67-H70 PolarHBondContact O-N 2.94Å; H70-L73 PolarHBondContact O-N 3.42Å; H70-T74 WeakPolarHBondContact O-CB 3.48Å; H70-T74 PolarHBondContact O-N 3.37Å; H70-T74 PolarHBondContact O-OG1 3.38Å
71F85Confident83.8Confident32 Ų3255.9 Ų55.914%0.1428%0.282CS..Hα-helixtrans-60.2-49175175.5-102.2000111.9N67 Q68 L69 T74 L75 F120 N124N67-F71 WeakPolarHBondContact O-CB 3.47Å; N67-F71 PolarHBondContact O-N 3.49Å; Q68-F71 PolarHBondContact O-N 2.7Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 3.06Å; F71-T74 PolarHBondContact O-N 2.92Å; F71-L75 HydrophobicContact CE1-CD2 4.41Å; F71-L75 WeakPolarHBondContact O-CB 3.38Å; F71-L75 PolarHBondContact O-N 3Å; F71-F120 HydrophobicContact CD2-CD1 4.48Å; F71-F120 AromaticContact CD2-CE1 3.64Å; F71-F120 HydrophobicContact CD2-CE1 3.64Å; F71-F120 HydrophobicContact CD2-CZ 4.26Å; F71-F120 HydrophobicContact CE2-CE1 4.07Å; F71-N124 HydrophobicContact CD2-CB 3.64Å; F71-N124 VanDerWaalsContact CD2-CG 3.46Å; F71-N124 HydrophobicContact CE2-CB 3.66Å
72H89.8Confident84.5Confident87 Ų8755.9 Ų55.940%0.40330%0.295SS..Hα-helixtrans-64.3-41.8179.7-73.7-55.1000112.8Q68 L69 L75 S76Q68-H72 PolarHBondContact NE2-NE2 3.33Å; Q68-H72 PolarHBondContact O-CD2 2.87Å; Q68-H72 PolarHBondContact O-N 3.44Å; L69-H72 PolarHBondContact O-N 2.91Å; H72-L75 PolarHBondContact O-N 3.3Å; H72-S76 WeakPolarHBondContact O-CB 3.11Å; H72-S76 PolarHBondContact O-N 3.18Å; H72-S76 PolarHBondContact O-OG 3.16Å
73L90.9Very high85.6Confident18 Ų1856.2 Ų56.29%0.09430%0.299CS..Hα-helixtrans-63.1-42.5175.6-72.3171.6000111.7C54 L57 L58 F61 L69 H70 S76 N77C54-L73 HydrophobicContact CB-CD2 4.48Å; L57-L73 HydrophobicContact CB-CD1 3.79Å; L57-L73 HydrophobicContact CB-CD2 4.26Å; L57-L73 HydrophobicContact CD1-CD2 3.94Å; L58-L73 HydrophobicContact CD1-CB 4.41Å; L58-L73 HydrophobicContact CD2-CB 3.75Å; L58-L73 HydrophobicContact CD2-CD1 4.29Å; L58-L73 HydrophobicContact CG-CB 3.9Å; L58-L73 HydrophobicContact CG-CD1 4.41Å; F61-L73 HydrophobicContact CD2-CD1 3.91Å; L69-L73 HydrophobicContact CD1-CD1 4.32Å; L69-L73 HydrophobicContact CD1-CG 4.32Å; L69-L73 HydrophobicContact CG-CD1 4.01Å; L69-L73 HydrophobicContact CG-CG 4.44Å; L69-L73 WeakPolarHBondContact O-CB 3.26Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.4Å; L69-L73 PolarHBondContact O-N 3.46Å; H70-L73 PolarHBondContact O-N 3.42Å; L73-S76 PolarHBondContact O-N 2.94Å; L73-N77 PolarHBondContact O-N 3.45Å
74T88.4Confident86.9Confident13 Ų1353.6 Ų53.68%0.0829%0.286CS..Hα-helixtrans-63.9-45177.4-55.30000111.4H70 F71 S76 N77 F78 F120H70-T74 WeakPolarHBondContact O-CB 3.48Å; H70-T74 PolarHBondContact O-N 3.37Å; H70-T74 PolarHBondContact O-OG1 3.38Å; F71-T74 PolarHBondContact O-N 2.92Å; T74-S76 VanDerWaalsContact C-N 3.33Å; T74-S76 PolarHBondContact O-N 3.32Å; T74-N77 WeakPolarHBondContact O-CB 3.37Å; T74-N77 PolarHBondContact O-N 2.96Å; T74-F78 HydrophobicContact CG2-CD2 4.44Å; T74-F78 HydrophobicContact CG2-CE1 3.85Å; T74-F78 HydrophobicContact CG2-CE2 3.74Å; T74-F78 HydrophobicContact CG2-CZ 3.41Å; T74-F78 VanDerWaalsContact CG2-CZ 3.41Å; T74-F78 WeakPolarHBondContact O-CG 3.28Å; T74-F78 PolarHBondContact O-N 3.28Å; T74-F120 HydrophobicContact CG2-CD1 3.88Å; T74-F120 HydrophobicContact CG2-CD2 4.37Å; T74-F120 HydrophobicContact CG2-CE1 3.45Å; T74-F120 VanDerWaalsContact CG2-CE1 3.45Å; T74-F120 HydrophobicContact CG2-CE2 3.99Å; T74-F120 HydrophobicContact CG2-CG 4.32Å; T74-F120 HydrophobicContact CG2-CZ 3.52Å
75L89.9Confident88.2Confident59 Ų5947.5 Ų47.531%0.30926%0.26SS..Hα-helixtrans-63.1-41.3176.7-173.865.6000111.8F71 H72 N77 F78 I79 V121F71-L75 HydrophobicContact CE1-CD2 4.41Å; F71-L75 WeakPolarHBondContact O-CB 3.38Å; F71-L75 PolarHBondContact O-N 3Å; H72-L75 PolarHBondContact O-N 3.3Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.19Å; L75-F78 PolarHBondContact O-N 2.84Å; L75-I79 HydrophobicContact CG-CD1 4.18Å; L75-I79 WeakPolarHBondContact O-CG1 3.26Å; L75-I79 PolarHBondContact O-N 3.47Å; L75-V121 HydrophobicContact CD1-CG2 4.46Å
76S93.1Very high89.3Confident51 Ų5144.6 Ų44.636%0.35725%0.248SC..Hα-helixtrans-62.3-41.1177.5-57.60000110.9H72 L73 T74 I79 C80H72-S76 WeakPolarHBondContact O-CB 3.11Å; H72-S76 PolarHBondContact O-N 3.18Å; H72-S76 PolarHBondContact O-OG 3.16Å; L73-S76 PolarHBondContact O-N 2.94Å; T74-S76 VanDerWaalsContact C-N 3.33Å; T74-S76 PolarHBondContact O-N 3.32Å; S76-I79 PolarHBondContact O-N 2.98Å; S76-C80 PolarHBondContact O-N 2.94Å; S76-C80 PolarHBondContact O-SG 3.2Å
77N91.9Very high90.2Very high7 Ų744.8 Ų44.84%0.03725%0.247CC..Hα-helixtrans-59.9-47.1173.2-171.346.7000111.6S51 C54 L73 T74 L75 I79 C80 H81S51-N77 VanDerWaalsContact CB-OD1 3.32Å; S51-N77 WeakPolarHBondContact CB-OD1 3.46Å; S51-N77 PolarHBondContact O-OD1 3.27Å; S51-N77 PolarHBondContact OG-OD1 2.91Å; C54-N77 HydrophobicContact CB-CB 4.16Å; L73-N77 PolarHBondContact O-N 3.45Å; T74-N77 WeakPolarHBondContact O-CB 3.37Å; T74-N77 PolarHBondContact O-N 2.96Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 3.19Å; N77-I79 PolarHBondContact O-N 2.99Å; N77-C80 WeakPolarHBondContact O-CB 3.23Å; N77-C80 PolarHBondContact O-N 2.83Å; N77-H81 PolarHBondContact O-CD2 3.26Å; N77-H81 PolarHBondContact O-N 3.24Å; N77-H81 VanDerWaalsContact O-N 3.1Å; N77-H81 PolarHBondContact OD1-NE2 2.98Å
78F90.6Very high91Very high24 Ų2442.3 Ų42.311%0.10523%0.234CC..Hα-helixtrans-59.7-44177.7-62.8-19.5000112.7T74 L75 C80 H81 A82 S117 F120 M159T74-F78 HydrophobicContact CG2-CD2 4.44Å; T74-F78 HydrophobicContact CG2-CE1 3.85Å; T74-F78 HydrophobicContact CG2-CE2 3.74Å; T74-F78 HydrophobicContact CG2-CZ 3.41Å; T74-F78 VanDerWaalsContact CG2-CZ 3.41Å; T74-F78 WeakPolarHBondContact O-CG 3.28Å; T74-F78 PolarHBondContact O-N 3.28Å; L75-F78 PolarHBondContact O-N 2.84Å; F78-C80 VanDerWaalsContact C-N 3.3Å; F78-C80 PolarHBondContact O-N 3.3Å; F78-H81 PolarHBondContact O-N 3.42Å; F78-A82 WeakPolarHBondContact O-CB 3.37Å; F78-A82 PolarHBondContact O-N 2.84Å; F78-S117 VanDerWaalsContact CE2-CA 3.48Å; F78-S117 VanDerWaalsContact CE2-CB 3.41Å; F78-F120 HydrophobicContact CE2-CB 4.1Å; F78-F120 AromaticContact CE2-CD1 3.74Å; F78-F120 HydrophobicContact CE2-CD1 3.74Å; F78-F120 HydrophobicContact CE2-CG 4.09Å; F78-F120 HydrophobicContact CZ-CB 4.29Å; F78-F120 HydrophobicContact CZ-CD1 4.27Å; F78-F120 HydrophobicContact CZ-CG 4.26Å; F78-M159 HydrophobicContact CD1-CE 3.59Å; F78-M159 HydrophobicContact CD1-SD 4.2Å; F78-M159 HydrophobicContact CE1-CE 3.31Å; F78-M159 HydrophobicContact CE1-CG 3.88Å; F78-M159 HydrophobicContact CE1-SD 3.62Å; F78-M159 HydrophobicContact CZ-CE 4.28Å; F78-M159 HydrophobicContact CZ-CG 4Å; F78-M159 HydrophobicContact CZ-SD 4.01Å
79I92.6Very high91.5Very high97 Ų9736 Ų3650%0.49721%0.205SC..Hα-helixtrans-60.7-42.6177-67.7166.1000110.5L75 S76 N77 H81 A82 V83L75-I79 HydrophobicContact CG-CD1 4.18Å; L75-I79 WeakPolarHBondContact O-CG1 3.26Å; L75-I79 PolarHBondContact O-N 3.47Å; S76-I79 PolarHBondContact O-N 2.98Å; N77-I79 PolarHBondContact O-N 2.99Å; I79-H81 VanDerWaalsContact C-N 3.33Å; I79-H81 PolarHBondContact O-N 3.45Å; I79-A82 PolarHBondContact O-N 3.25Å; I79-V83 WeakPolarHBondContact O-CG2 3.3Å; I79-V83 PolarHBondContact O-N 3.06Å
80C95Very high91.9Very high12 Ų1237.9 Ų37.98%0.08122%0.215CC..Hα-helixtrans-58.1-46177.1-68.60000111.4V47 S76 N77 F78 V83 A84V47-C80 HydrophobicContact CG1-CB 3.62Å; V47-C80 WeakPolarHBondContact CG1-O 3.5Å; S76-C80 PolarHBondContact O-N 2.94Å; S76-C80 PolarHBondContact O-SG 3.2Å; N77-C80 WeakPolarHBondContact O-CB 3.23Å; N77-C80 PolarHBondContact O-N 2.83Å; F78-C80 VanDerWaalsContact C-N 3.3Å; F78-C80 PolarHBondContact O-N 3.3Å; C80-V83 PolarHBondContact O-N 3.37Å; C80-A84 WeakPolarHBondContact O-CB 3.46Å; C80-A84 PolarHBondContact O-N 2.9Å
81H92.9Very high92.3Very high4 Ų437.3 Ų37.32%0.01921%0.213CC..Hα-helixtrans-66.6-40.7176.9-75.7-76.9000113.2Y48 S51 N77 F78 I79 V83 A84 I85 M113 L163Y48-H81 AromaticContact CE1-CE1 3.68Å; Y48-H81 AromaticContact CE1-ND1 3.58Å; S51-H81 PolarHBondContact OG-NE2 3.33Å; S51-H81 VanDerWaalsContact OG-NE2 3.14Å; N77-H81 PolarHBondContact O-CD2 3.26Å; N77-H81 PolarHBondContact O-N 3.24Å; N77-H81 VanDerWaalsContact O-N 3.1Å; N77-H81 PolarHBondContact OD1-NE2 2.98Å; F78-H81 PolarHBondContact O-N 3.42Å; I79-H81 VanDerWaalsContact C-N 3.33Å; I79-H81 PolarHBondContact O-N 3.45Å; H81-V83 PolarHBondContact O-N 2.97Å; H81-A84 PolarHBondContact O-N 3.29Å; H81-I85 HydrophobicContact CB-CD1 4.12Å; H81-I85 WeakPolarHBondContact O-CB 3.39Å; H81-I85 WeakPolarHBondContact O-CG1 3.44Å; H81-I85 PolarHBondContact O-N 2.89Å; H81-M113 HydrophobicContact CB-CE 3.65Å; H81-M113 HydrophobicContact CB-SD 3.97Å; H81-M113 VanDerWaalsContact CD2-CE 3.42Å; H81-M113 WeakPolarHBondContact CD2-CE 3.09Å; H81-L163 VanDerWaalsContact CE1-CD2 3.42Å; H81-L163 WeakPolarHBondContact CE1-CD2 3.23Å; H81-L163 WeakPolarHBondContact NE2-CD2 3.48Å
82A91.5Very high92.6Very high70 Ų7035.9 Ų35.958%0.57921%0.207SC*.Hα-helixtrans-60.1-31.1177.300000112.6F78 I79 P86F78-A82 WeakPolarHBondContact O-CB 3.37Å; F78-A82 PolarHBondContact O-N 2.84Å; I79-A82 PolarHBondContact O-N 3.25Å; A82-P86 WeakPolarHBondContact O-CD 3.35Å; A82-P86 VanDerWaalsContact O-CG 3.26Å; A82-P86 WeakPolarHBondContact O-CG 3.18Å
83V94.1Very high92.7Very high56 Ų5634.3 Ų34.334%0.33920%0.203SC..Hα-helixtrans-85.4-46.31751750000111.5F43 I79 C80 H81 L87F43-V83 HydrophobicContact CE1-CG1 3.81Å; F43-V83 HydrophobicContact CZ-CG1 4.31Å; I79-V83 WeakPolarHBondContact O-CG2 3.3Å; I79-V83 PolarHBondContact O-N 3.06Å; C80-V83 PolarHBondContact O-N 3.37Å; H81-V83 PolarHBondContact O-N 2.97Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 WeakPolarHBondContact O-CG 3.28Å
84A94.7Very high92.6Very high0 Ų037.1 Ų37.10%022%0.224CC..Hα-helixtrans-71.4-40.2-170.700000112.8I44 V47 Y48 C80 H81 L87 S88I44-A84 HydrophobicContact CG2-CB 4.47Å; V47-A84 HydrophobicContact CB-CB 4.49Å; V47-A84 HydrophobicContact CG1-CB 3.95Å; Y48-A84 HydrophobicContact CD1-CB 4.25Å; Y48-A84 HydrophobicContact CD2-CB 4Å; Y48-A84 HydrophobicContact CE1-CB 3.81Å; Y48-A84 HydrophobicContact CE2-CB 3.57Å; Y48-A84 HydrophobicContact CG-CB 4.32Å; Y48-A84 VanDerWaalsContact CZ-CB 3.45Å; C80-A84 WeakPolarHBondContact O-CB 3.46Å; C80-A84 PolarHBondContact O-N 2.9Å; H81-A84 PolarHBondContact O-N 3.29Å; A84-L87 PolarHBondContact O-N 3.19Å; A84-S88 WeakPolarHBondContact O-CB 3.38Å; A84-S88 PolarHBondContact O-N 3.49Å; A84-S88 PolarHBondContact O-OG 2.88Å
85I94.1Very high92.4Very high4 Ų437.2 Ų37.22%0.02122%0.224CC..Hα-helixtrans-64.4-48.4-175.5-63.9168.9000111.9Y48 H81 L87 S88 S89 R106 S110 M113Y48-I85 WeakPolarHBondContact OH-CG1 3.35Å; H81-I85 HydrophobicContact CB-CD1 4.12Å; H81-I85 WeakPolarHBondContact O-CB 3.39Å; H81-I85 WeakPolarHBondContact O-CG1 3.44Å; H81-I85 PolarHBondContact O-N 2.89Å; I85-L87 PolarHBondContact O-N 3.1Å; I85-S88 PolarHBondContact O-N 3.22Å; I85-S88 PolarHBondContact O-OG 3.37Å; I85-S89 VanDerWaalsContact O-CB 3.3Å; I85-S89 WeakPolarHBondContact O-CB 3.42Å; I85-S89 PolarHBondContact O-N 2.93Å; I85-S89 PolarHBondContact O-OG 3.26Å; I85-R106 HydrophobicContact CG2-CB 4.22Å; I85-S110 VanDerWaalsContact CG2-OG 3.26Å; I85-S110 WeakPolarHBondContact CG2-OG 3.29Å; I85-M113 HydrophobicContact CD1-SD 3.69Å
86P94.4Very high92.2Very high67 Ų6734.8 Ų34.844%0.43521%0.21SC..Hα-helixtrans-60.8-45.7176.7-25.936.1000112.9A82 S88 S89 L90A82-P86 WeakPolarHBondContact O-CD 3.35Å; A82-P86 VanDerWaalsContact O-CG 3.26Å; A82-P86 WeakPolarHBondContact O-CG 3.18Å; P86-S88 PolarHBondContact O-N 2.68Å; P86-S89 WeakPolarHBondContact O-CB 3.4Å; P86-S89 PolarHBondContact O-N 2.92Å; P86-L90 WeakPolarHBondContact O-CG 3.45Å; P86-L90 PolarHBondContact O-N 2.96Å
87L94.7Very high91.7Very high48 Ų4843.2 Ų43.225%0.25124%0.235SC..Hα-helixtrans-63.9-43.6-179.3-68.9177.7000112.2I40 F43 I44 V83 A84 I85 S89 L90 L91I40-L87 HydrophobicContact CG2-CB 4.34Å; F43-L87 HydrophobicContact CD1-CD1 3.77Å; F43-L87 HydrophobicContact CE1-CD1 3.73Å; I44-L87 HydrophobicContact CD1-CB 3.78Å; I44-L87 HydrophobicContact CG1-CB 3.79Å; I44-L87 HydrophobicContact CG1-CD1 4.41Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 WeakPolarHBondContact O-CG 3.28Å; A84-L87 PolarHBondContact O-N 3.19Å; I85-L87 PolarHBondContact O-N 3.1Å; L87-S89 VanDerWaalsContact C-N 3.35Å; L87-L90 PolarHBondContact O-N 3.4Å; L87-L91 PolarHBondContact O-N 3.48Å
88S94Very high91.3Very high0 Ų045.7 Ų45.70%025%0.252CS..Hα-helixtrans-69.5-33.6176.947.20000112.1A84 I85 P86 L90 L91 I92 R106A84-S88 WeakPolarHBondContact O-CB 3.38Å; A84-S88 PolarHBondContact O-N 3.49Å; A84-S88 PolarHBondContact O-OG 2.88Å; I85-S88 PolarHBondContact O-N 3.22Å; I85-S88 PolarHBondContact O-OG 3.37Å; P86-S88 PolarHBondContact O-N 2.68Å; S88-L90 PolarHBondContact O-N 3.39Å; S88-L91 PolarHBondContact O-N 3.47Å; S88-I92 WeakPolarHBondContact O-CD1 3.45Å; S88-I92 WeakPolarHBondContact O-CG1 3.45Å; S88-I92 PolarHBondContact O-N 2.94Å; S88-R106 VanDerWaalsContact CB-NH1 3.33Å; S88-R106 PolarHBondContact OG-NH1 3.38Å
89S94.4Very high91.3Very high12 Ų1248.8 Ų48.88%0.08426%0.263CS..Hα-helixtrans-61.4-42.5172.6-58.70000112I85 P86 L87 L91 I92 V93 R106I85-S89 VanDerWaalsContact O-CB 3.3Å; I85-S89 WeakPolarHBondContact O-CB 3.42Å; I85-S89 PolarHBondContact O-N 2.93Å; I85-S89 PolarHBondContact O-OG 3.26Å; P86-S89 WeakPolarHBondContact O-CB 3.4Å; P86-S89 PolarHBondContact O-N 2.92Å; L87-S89 VanDerWaalsContact C-N 3.35Å; S89-L91 VanDerWaalsContact C-N 3.34Å; S89-L91 PolarHBondContact O-N 3.16Å; S89-I92 PolarHBondContact O-N 2.95Å; S89-I92 VanDerWaalsContact O-N 3.17Å; S89-V93 WeakPolarHBondContact O-CG2 3.44Å; S89-V93 PolarHBondContact O-N 3.19Å; S89-R106 WeakPolarHBondContact OG-CD 3.18Å
90L93.6Very high91.4Very high112 Ų11250.9 Ų50.959%0.58627%0.269SS*.Hα-helixtrans-59.1-44.3174.3-72.5168.3000111.8P86 L87 S88 I92 V93 C94P86-L90 WeakPolarHBondContact O-CG 3.45Å; P86-L90 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 3.4Å; S88-L90 PolarHBondContact O-N 3.39Å; L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 PolarHBondContact O-N 3.13Å; L90-V93 PolarHBondContact O-N 3.05Å; L90-C94 PolarHBondContact O-N 3.49Å; L90-C94 PolarHBondContact O-SG 2.95Å; L90-C94 VanDerWaalsContact O-SG 3.32Å
91L92.9Very high91.2Very high11 Ų1159.7 Ų59.76%0.05830%0.301CS..Hα-helixtrans-61.9-37.7176.5-68.2-177.3000112W20 P37 I40 C41 I44 L87 S88 S89 C94 N95W20-L91 HydrophobicContact CH2-CB 4.42Å; W20-L91 HydrophobicContact CH2-CD1 4.14Å; W20-L91 HydrophobicContact CZ3-CD1 4.44Å; P37-L91 HydrophobicContact CB-CD2 4.11Å; I40-L91 HydrophobicContact CG2-CD1 4.16Å; I40-L91 HydrophobicContact CG2-CD2 4.36Å; I40-L91 HydrophobicContact CG2-CG 4.29Å; C41-L91 HydrophobicContact CB-CD1 4.05Å; I44-L91 HydrophobicContact CD1-CD1 3.59Å; I44-L91 HydrophobicContact CD1-CG 4.38Å; L87-L91 PolarHBondContact O-N 3.48Å; S88-L91 PolarHBondContact O-N 3.47Å; S89-L91 VanDerWaalsContact C-N 3.34Å; S89-L91 PolarHBondContact O-N 3.16Å; L91-C94 PolarHBondContact O-N 3.05Å; L91-N95 WeakPolarHBondContact O-CB 3.17Å; L91-N95 PolarHBondContact O-N 3.17Å; L91-N95 PolarHBondContact O-ND2 2.9Å
92I92.1Very high91.3Very high1 Ų160.6 Ų60.61%0.00530%0.304CS..Hα-helixtrans-67.5-47.2179.5-70.7157.3000111.4W20 S88 S89 L90 C94 N95 F96 W99 F102 R106 E173W20-I92 HydrophobicContact CZ2-CD1 4.24Å; W20-I92 HydrophobicContact CZ2-CG1 4.14Å; S88-I92 WeakPolarHBondContact O-CD1 3.45Å; S88-I92 WeakPolarHBondContact O-CG1 3.45Å; S88-I92 PolarHBondContact O-N 2.94Å; S89-I92 PolarHBondContact O-N 2.95Å; S89-I92 VanDerWaalsContact O-N 3.17Å; L90-I92 VanDerWaalsContact C-N 3.28Å; L90-I92 PolarHBondContact O-N 3.13Å; I92-C94 PolarHBondContact O-N 3.42Å; I92-N95 PolarHBondContact O-N 3.21Å; I92-F96 HydrophobicContact CB-CD2 4.34Å; I92-F96 HydrophobicContact CG1-CD2 4.31Å; I92-F96 HydrophobicContact CG1-CE2 4.5Å; I92-F96 HydrophobicContact CG2-CB 4.08Å; I92-F96 HydrophobicContact CG2-CD2 4.08Å; I92-F96 HydrophobicContact CG2-CG 4.18Å; I92-F96 PolarHBondContact O-N 3.37Å; I92-W99 HydrophobicContact CG2-CB 4.15Å; I92-F102 HydrophobicContact CG2-CB 3.78Å; I92-F102 HydrophobicContact CG2-CD2 4.22Å; I92-F102 HydrophobicContact CG2-CG 4.39Å; I92-R106 VanDerWaalsContact CD1-NH2 3.33Å; I92-E173 VanDerWaalsContact CD1-CD 3.48Å; I92-E173 WeakPolarHBondContact CD1-OE1 3.48Å
93V91.8Very high91.4Very high54 Ų5459.5 Ų59.533%0.32729%0.289SS..Hα-helixtrans-54.6-40.8176.6174.50000110.9S89 L90 N95 W99 L103S89-V93 WeakPolarHBondContact O-CG2 3.44Å; S89-V93 PolarHBondContact O-N 3.19Å; L90-V93 PolarHBondContact O-N 3.05Å; V93-N95 PolarHBondContact O-N 3.19Å; V93-W99 HydrophobicContact CB-CE3 4.44Å; V93-W99 HydrophobicContact CG1-CD2 4.27Å; V93-W99 HydrophobicContact CG1-CE3 4.26Å; V93-W99 HydrophobicContact CG2-CD2 4.34Å; V93-W99 HydrophobicContact CG2-CE3 3.77Å; V93-W99 HydrophobicContact CG2-CZ3 4.3Å; V93-L103 HydrophobicContact CG2-CD1 4.32Å; V93-L103 HydrophobicContact CG2-CD2 4.09Å
94C87.3Confident91.4Very high78 Ų7861 Ų6153%0.52729%0.294SS..Hα-helixtrans-74.6-20.9-179.9-67.50000114.3K31 L90 L91 I92K31-C94 PolarHBondContact NZ-O 3.22Å; L90-C94 PolarHBondContact O-N 3.49Å; L90-C94 PolarHBondContact O-SG 2.95Å; L90-C94 VanDerWaalsContact O-SG 3.32Å; L91-C94 PolarHBondContact O-N 3.05Å; I92-C94 PolarHBondContact O-N 3.42Å
95N85.9Confident91.4Very high15 Ų1562.4 Ų62.48%0.0831%0.306CS..Hα-helixtrans-126-16.8-166.2-68.2-72.7000116M24 K27 L28 L91 I92 V93M24-N95 HydrophobicContact SD-CB 4.28Å; K27-N95 WeakPolarHBondContact CE-O 3.32Å; K27-N95 PolarHBondContact NZ-O 3.29Å; L28-N95 VanDerWaalsContact CD2-ND2 3.31Å; L28-N95 WeakPolarHBondContact CD2-ND2 3.25Å; L28-N95 WeakPolarHBondContact CD2-OD1 3.42Å; L91-N95 WeakPolarHBondContact O-CB 3.17Å; L91-N95 PolarHBondContact O-N 3.17Å; L91-N95 PolarHBondContact O-ND2 2.9Å; I92-N95 PolarHBondContact O-N 3.21Å; V93-N95 PolarHBondContact O-N 3.19Å
96F84.8Confident91.4Very high7 Ų762.2 Ų62.23%0.03131%0.305CS..  trans-106.3135.9-178.8-76.4-105.4000110.8M24 I92 W99 F102 E173 T176 C177M24-F96 HydrophobicContact CE-CD2 4.42Å; M24-F96 HydrophobicContact CE-CE2 3.32Å; M24-F96 HydrophobicContact CE-CZ 3.84Å; M24-F96 HydrophobicContact SD-CE2 3.87Å; I92-F96 HydrophobicContact CB-CD2 4.34Å; I92-F96 HydrophobicContact CG1-CD2 4.31Å; I92-F96 HydrophobicContact CG1-CE2 4.5Å; I92-F96 HydrophobicContact CG2-CB 4.08Å; I92-F96 HydrophobicContact CG2-CD2 4.08Å; I92-F96 HydrophobicContact CG2-CG 4.18Å; I92-F96 PolarHBondContact O-N 3.37Å; F96-W99 HydrophobicContact CB-CB 4.26Å; F96-W99 WeakPolarHBondContact O-CB 3.43Å; F96-W99 VanDerWaalsContact O-CD1 3.22Å; F96-W99 PolarHBondContact O-N 3.3Å; F96-F102 HydrophobicContact CB-CD2 4.48Å; F96-F102 HydrophobicContact CD1-CD2 4.22Å; F96-F102 AromaticContact CD1-CE2 3.82Å; F96-F102 HydrophobicContact CD1-CE2 3.82Å; F96-F102 HydrophobicContact CE1-CE2 4.42Å; F96-F102 HydrophobicContact CG-CD2 4.47Å; F96-E173 HydrophobicContact CE1-CB 4.45Å; F96-E173 WeakPolarHBondContact CE1-O 3.44Å; F96-E173 HydrophobicContact CZ-CB 4.48Å; F96-T176 HydrophobicContact CD1-CG2 3.97Å; F96-T176 HydrophobicContact CE1-CG2 4.12Å; F96-C177 HydrophobicContact CE1-CB 4.32Å; F96-C177 HydrophobicContact CZ-CB 4.13Å
97R81.8Confident91.4Very high229 Ų22963 Ų6386%0.86430%0.304SS*.THydrogen-bonded Turntrans-65.8-42.6172.6-168.1176.7-178.9178.60.2111.2W99R97-W99 PolarHBondContact O-N 2.94Å
98S83.7Confident91.4Very high59 Ų5965 Ų6541%0.41331%0.314SS..THydrogen-bonded Turntrans-8730.7178.4-50.50000113.3K100 W101S98-K100 PolarHBondContact O-N 3.14Å; S98-K100 VanDerWaalsContact O-N 3.15Å; S98-W101 PolarHBondContact O-N 2.98Å
99W90.7Very high91.4Very high88 Ų8865 Ų6533%0.33332%0.315SS..Hα-helixtrans-59.1-29.3-172.363.7-95.1000114.2I92 V93 F96 R97 W101 F102 L103I92-W99 HydrophobicContact CG2-CB 4.15Å; V93-W99 HydrophobicContact CB-CE3 4.44Å; V93-W99 HydrophobicContact CG1-CD2 4.27Å; V93-W99 HydrophobicContact CG1-CE3 4.26Å; V93-W99 HydrophobicContact CG2-CD2 4.34Å; V93-W99 HydrophobicContact CG2-CE3 3.77Å; V93-W99 HydrophobicContact CG2-CZ3 4.3Å; F96-W99 HydrophobicContact CB-CB 4.26Å; F96-W99 WeakPolarHBondContact O-CB 3.43Å; F96-W99 VanDerWaalsContact O-CD1 3.22Å; F96-W99 PolarHBondContact O-N 3.3Å; R97-W99 PolarHBondContact O-N 2.94Å; W99-W101 VanDerWaalsContact C-N 3.33Å; W99-W101 PolarHBondContact O-N 3.27Å; W99-F102 PolarHBondContact O-N 3.37Å; W99-L103 HydrophobicContact CE3-CB 4.28Å; W99-L103 HydrophobicContact CE3-CD2 4.01Å; W99-L103 HydrophobicContact CZ3-CD2 3.69Å; W99-L103 WeakPolarHBondContact O-CB 3.43Å; W99-L103 PolarHBondContact O-N 2.88Å
100K94Very high91.4Very high142 Ų14266 Ų6662%0.61732%0.321SS*.Hα-helixtrans-58.3-43.7-176.3-65.3-176.2-178.8-178.50112.4S98 L104S98-K100 PolarHBondContact O-N 3.14Å; S98-K100 VanDerWaalsContact O-N 3.15Å; K100-L104 WeakPolarHBondContact O-CB 3.43Å; K100-L104 PolarHBondContact O-N 2.75Å
101W92.5Very high91.3Very high196 Ų19665.4 Ų65.474%0.74232%0.318SS*.Hα-helixtrans-70.7-42-179-63.8117.3000111.9S98 W99 L104 A105S98-W101 PolarHBondContact O-N 2.98Å; W99-W101 VanDerWaalsContact C-N 3.33Å; W99-W101 PolarHBondContact O-N 3.27Å; W101-L104 HydrophobicContact CE3-CD2 4.31Å; W101-L104 HydrophobicContact CZ3-CD2 4.31Å; W101-L104 PolarHBondContact O-N 3.11Å; W101-A105 WeakPolarHBondContact O-CB 3.34Å; W101-A105 PolarHBondContact O-N 3.13Å
102F93.5Very high91.2Very high23 Ų2366.1 Ų66.110%0.10132%0.322CS..Hα-helixtrans-64.5-41175.1-66.8-53.3000112.1I92 F96 W99 A105 R106 I169 L172 E173 T176I92-F102 HydrophobicContact CG2-CB 3.78Å; I92-F102 HydrophobicContact CG2-CD2 4.22Å; I92-F102 HydrophobicContact CG2-CG 4.39Å; F96-F102 HydrophobicContact CB-CD2 4.48Å; F96-F102 HydrophobicContact CD1-CD2 4.22Å; F96-F102 AromaticContact CD1-CE2 3.82Å; F96-F102 HydrophobicContact CD1-CE2 3.82Å; F96-F102 HydrophobicContact CE1-CE2 4.42Å; F96-F102 HydrophobicContact CG-CD2 4.47Å; W99-F102 PolarHBondContact O-N 3.37Å; F102-A105 PolarHBondContact O-N 3.49Å; F102-R106 WeakPolarHBondContact O-CB 2.98Å; F102-R106 WeakPolarHBondContact O-CG 3.42Å; F102-R106 PolarHBondContact O-N 3.37Å; F102-I169 HydrophobicContact CD1-CG2 4.31Å; F102-L172 HydrophobicContact CE1-CB 4.05Å; F102-E173 HydrophobicContact CD1-CG 3.5Å; F102-E173 VanDerWaalsContact CD1-CG 3.5Å; F102-E173 HydrophobicContact CD2-CG 4.2Å; F102-E173 HydrophobicContact CE1-CB 4.44Å; F102-E173 HydrophobicContact CE1-CG 3.55Å; F102-E173 HydrophobicContact CE2-CG 4.23Å; F102-E173 HydrophobicContact CG-CG 3.85Å; F102-E173 HydrophobicContact CZ-CG 3.93Å; F102-T176 HydrophobicContact CE2-CG2 4.3Å; F102-T176 HydrophobicContact CZ-CG2 4.5Å
103L94.5Very high91.1Very high47 Ų4766.7 Ų66.725%0.24632%0.324CS..Hα-helixtrans-64-46.4176.6-176.166000111.1V93 W99 A105 R106 I107V93-L103 HydrophobicContact CG2-CD1 4.32Å; V93-L103 HydrophobicContact CG2-CD2 4.09Å; W99-L103 HydrophobicContact CE3-CB 4.28Å; W99-L103 HydrophobicContact CE3-CD2 4.01Å; W99-L103 HydrophobicContact CZ3-CD2 3.69Å; W99-L103 WeakPolarHBondContact O-CB 3.43Å; W99-L103 PolarHBondContact O-N 2.88Å; L103-A105 VanDerWaalsContact C-N 3.35Å; L103-A105 PolarHBondContact O-N 3.42Å; L103-R106 PolarHBondContact O-N 3.14Å; L103-I107 HydrophobicContact CG-CD1 4.12Å; L103-I107 WeakPolarHBondContact O-CG1 3.21Å; L103-I107 PolarHBondContact O-N 3Å
104L94.9Very high91.1Very high88 Ų8869.1 Ų69.146%0.46133%0.334SS..Hα-helixtrans-58.6-47.4177.3-179.663000111.3K100 W101 R106 I107 I108K100-L104 WeakPolarHBondContact O-CB 3.43Å; K100-L104 PolarHBondContact O-N 2.75Å; W101-L104 HydrophobicContact CE3-CD2 4.31Å; W101-L104 HydrophobicContact CZ3-CD2 4.31Å; W101-L104 PolarHBondContact O-N 3.11Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.4Å; L104-I107 PolarHBondContact O-N 2.9Å; L104-I108 HydrophobicContact CG-CD1 4.33Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.38Å
105A94.3Very high91.2Very high29 Ų2969.6 Ų69.624%0.2433%0.331CS..Hα-helixtrans-59.6-42.8177.800000111.7W101 F102 L103 I107 I108 V109 I169W101-A105 WeakPolarHBondContact O-CB 3.34Å; W101-A105 PolarHBondContact O-N 3.13Å; F102-A105 PolarHBondContact O-N 3.49Å; L103-A105 VanDerWaalsContact C-N 3.35Å; L103-A105 PolarHBondContact O-N 3.42Å; A105-I107 PolarHBondContact O-N 2.88Å; A105-I108 PolarHBondContact O-N 3.42Å; A105-V109 WeakPolarHBondContact O-CG2 3.28Å; A105-V109 PolarHBondContact O-N 2.9Å; A105-I169 HydrophobicContact CB-CD1 3.62Å; A105-I169 HydrophobicContact CB-CG1 4.04Å
106R94.5Very high91.4Very high1 Ų168.9 Ų68.90%0.00433%0.327CS..Hα-helixtrans-67.4-32177.1-74.9166.5168.8-101.34.2113.5I85 S88 S89 I92 F102 L103 L104 S110 I166 I169 E173I85-R106 HydrophobicContact CG2-CB 4.22Å; S88-R106 VanDerWaalsContact CB-NH1 3.33Å; S88-R106 PolarHBondContact OG-NH1 3.38Å; S89-R106 WeakPolarHBondContact OG-CD 3.18Å; I92-R106 VanDerWaalsContact CD1-NH2 3.33Å; F102-R106 WeakPolarHBondContact O-CB 2.98Å; F102-R106 WeakPolarHBondContact O-CG 3.42Å; F102-R106 PolarHBondContact O-N 3.37Å; L103-R106 PolarHBondContact O-N 3.14Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.4Å; R106-S110 WeakPolarHBondContact O-CB 3.33Å; R106-S110 PolarHBondContact O-N 3.06Å; R106-S110 PolarHBondContact O-OG 2.78Å; R106-I166 HydrophobicContact CG-CD1 3.99Å; R106-I169 HydrophobicContact CG-CG2 4.3Å; R106-E173 IonicContact CZ-OE1 3.32Å; R106-E173 IonicContact CZ-OE2 3.77Å; R106-E173 IonicContact NE-OE1 3.1Å; R106-E173 PolarHBondContact NE-OE1 3.28Å; R106-E173 IonicContact NE-OE2 2.75Å; R106-E173 IonicContact NH2-OE1 3.95Å; R106-E173 PolarHBondContact NH2-OE1 3.04Å; R106-E173 VanDerWaalsContact NH2-OE1 3.1Å; R106-E173 IonicContact NH2-OE2 2.8Å; R106-E173 PolarHBondContact NH2-OE2 3.25Å
107I94.4Very high91.6Very high82 Ų8270 Ų7042%0.42134%0.335SS..Hα-helixtrans-65.8-45.9172.9-70168.4000110.1L103 L104 A105 V109 S110 L111L103-I107 HydrophobicContact CG-CD1 4.12Å; L103-I107 WeakPolarHBondContact O-CG1 3.21Å; L103-I107 PolarHBondContact O-N 3Å; L104-I107 PolarHBondContact O-N 2.9Å; A105-I107 PolarHBondContact O-N 2.88Å; I107-V109 PolarHBondContact O-N 3.32Å; I107-S110 WeakPolarHBondContact O-CB 3.47Å; I107-S110 PolarHBondContact O-N 2.98Å; I107-S110 VanDerWaalsContact O-N 3.16Å; I107-L111 HydrophobicContact CG2-CD1 4.14Å; I107-L111 HydrophobicContact CG2-CG 4.46Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.21Å
108I94.2Very high92Very high90 Ų9066.1 Ų66.146%0.46232%0.322SS..Hα-helixtrans-58-50.1177.8-66.8167.9000110.1L104 A105 S110 L111 Q112L104-I108 HydrophobicContact CG-CD1 4.33Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.38Å; A105-I108 PolarHBondContact O-N 3.42Å; I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 PolarHBondContact O-N 2.98Å; I108-L111 PolarHBondContact O-N 2.89Å; I108-Q112 WeakPolarHBondContact O-CB 3.49Å; I108-Q112 PolarHBondContact O-N 3.37Å
109V93.8Very high92.2Very high1 Ų166.2 Ų66.21%0.00632%0.315CS..Hα-helixtrans-59.8-42.4176.5174.80000111.5A105 I107 L111 Q112 M113 G162 E165 I166 I169A105-V109 WeakPolarHBondContact O-CG2 3.28Å; A105-V109 PolarHBondContact O-N 2.9Å; I107-V109 PolarHBondContact O-N 3.32Å; V109-L111 VanDerWaalsContact C-N 3.35Å; V109-L111 PolarHBondContact O-N 3.4Å; V109-Q112 WeakPolarHBondContact O-CB 3.34Å; V109-Q112 PolarHBondContact O-N 2.98Å; V109-M113 HydrophobicContact CG1-CG 4.18Å; V109-M113 HydrophobicContact CG1-SD 3.98Å; V109-M113 VanDerWaalsContact O-CG 3.28Å; V109-M113 WeakPolarHBondContact O-CG 3.3Å; V109-M113 PolarHBondContact O-N 3.4Å; V109-G162 WeakPolarHBondContact CG1-O 3.35Å; V109-E165 HydrophobicContact CG2-CB 3.7Å; V109-E165 WeakPolarHBondContact CG2-OE2 3.33Å; V109-I166 HydrophobicContact CG1-CB 4.2Å; V109-I169 HydrophobicContact CG2-CD1 3.72Å
110S93.5Very high92.1Very high32 Ų3262.6 Ų62.622%0.22430%0.302CS..Hα-helixtrans-60.9-44.1178.7-59.70000111.8I85 R106 I107 I108 Q112 M113 I114I85-S110 VanDerWaalsContact CG2-OG 3.26Å; I85-S110 WeakPolarHBondContact CG2-OG 3.29Å; R106-S110 WeakPolarHBondContact O-CB 3.33Å; R106-S110 PolarHBondContact O-N 3.06Å; R106-S110 PolarHBondContact O-OG 2.78Å; I107-S110 WeakPolarHBondContact O-CB 3.47Å; I107-S110 PolarHBondContact O-N 2.98Å; I107-S110 VanDerWaalsContact O-N 3.16Å; I108-S110 VanDerWaalsContact C-N 3.32Å; I108-S110 PolarHBondContact O-N 2.98Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; S110-M113 PolarHBondContact O-N 2.99Å; S110-I114 WeakPolarHBondContact O-CD1 3.36Å; S110-I114 VanDerWaalsContact O-CG1 3.23Å; S110-I114 WeakPolarHBondContact O-CG1 3.42Å; S110-I114 PolarHBondContact O-N 3.46Å
111L92.1Very high91.7Very high100 Ų10057.5 Ų57.552%0.52428%0.282SS..Hα-helixtrans-62.2-44.2176.8-70.1172.2000111.3I107 I108 V109 M113 I114 I115I107-L111 HydrophobicContact CG2-CD1 4.14Å; I107-L111 HydrophobicContact CG2-CG 4.46Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 3.21Å; I108-L111 PolarHBondContact O-N 2.89Å; V109-L111 VanDerWaalsContact C-N 3.35Å; V109-L111 PolarHBondContact O-N 3.4Å; L111-M113 VanDerWaalsContact C-N 3.33Å; L111-M113 PolarHBondContact O-N 3.12Å; L111-I114 PolarHBondContact O-N 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.39Å; L111-I115 PolarHBondContact O-N 3.41Å
112Q91.7Very high91.4Very high27 Ų2752.7 Ų52.713%0.12626%0.264CS..Hα-helixtrans-59.5-43.2176.1178.8160.3-2900112.2I108 V109 S110 I115 G116 F158 L161 G162I108-Q112 WeakPolarHBondContact O-CB 3.49Å; I108-Q112 PolarHBondContact O-N 3.37Å; V109-Q112 WeakPolarHBondContact O-CB 3.34Å; V109-Q112 PolarHBondContact O-N 2.98Å; S110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-I115 PolarHBondContact O-N 2.98Å; Q112-G116 PolarHBondContact O-N 2.97Å; Q112-F158 HydrophobicContact CG-CB 4.13Å; Q112-F158 HydrophobicContact CG-CD1 3.9Å; Q112-F158 VanDerWaalsContact CG-O 3.3Å; Q112-F158 WeakPolarHBondContact CG-O 3.16Å; Q112-F158 PolarHBondContact NE2-O 3.41Å; Q112-L161 VanDerWaalsContact NE2-CB 3.29Å; Q112-G162 VanDerWaalsContact NE2-N 3.14Å
113M90.2Very high91Very high12 Ų1252 Ų526%0.05926%0.261CS..Hα-helixtrans-69.3-34.5176.7-65.4-174.294.500112.9H81 I85 V109 S110 L111 S117 M159 L163H81-M113 HydrophobicContact CB-CE 3.65Å; H81-M113 HydrophobicContact CB-SD 3.97Å; H81-M113 VanDerWaalsContact CD2-CE 3.42Å; H81-M113 WeakPolarHBondContact CD2-CE 3.09Å; I85-M113 HydrophobicContact CD1-SD 3.69Å; V109-M113 HydrophobicContact CG1-CG 4.18Å; V109-M113 HydrophobicContact CG1-SD 3.98Å; V109-M113 VanDerWaalsContact O-CG 3.28Å; V109-M113 WeakPolarHBondContact O-CG 3.3Å; V109-M113 PolarHBondContact O-N 3.4Å; S110-M113 PolarHBondContact O-N 2.99Å; L111-M113 VanDerWaalsContact C-N 3.33Å; L111-M113 PolarHBondContact O-N 3.12Å; M113-S117 VanDerWaalsContact O-CB 3.25Å; M113-S117 WeakPolarHBondContact O-CB 3.12Å; M113-S117 PolarHBondContact O-N 3.13Å; M113-S117 PolarHBondContact O-OG 3.47Å; M113-M159 VanDerWaalsContact CA-SD 3.54Å; M113-M159 HydrophobicContact CB-CE 3.85Å; M113-M159 HydrophobicContact CB-SD 4.07Å; M113-M159 HydrophobicContact CE-CE 3.33Å; M113-M159 HydrophobicContact CG-CE 3.72Å; M113-M159 HydrophobicContact CG-SD 4.37Å; M113-M159 HydrophobicContact SD-CE 4.4Å; M113-L163 HydrophobicContact CE-CD2 3.61Å; M113-L163 HydrophobicContact CE-CG 4.23Å
114I91Very high90.4Very high106 Ų10650.8 Ų50.854%0.54426%0.255SS..Hα-helixtrans-64.3-47.6174.7-71.8163.8000110.4S110 L111 S117 Y118S110-I114 WeakPolarHBondContact O-CD1 3.36Å; S110-I114 VanDerWaalsContact O-CG1 3.23Å; S110-I114 WeakPolarHBondContact O-CG1 3.42Å; S110-I114 PolarHBondContact O-N 3.46Å; L111-I114 PolarHBondContact O-N 3.23Å; I114-S117 PolarHBondContact O-N 3.43Å; I114-S117 PolarHBondContact O-OG 3.18Å; I114-Y118 WeakPolarHBondContact O-CB 3.37Å; I114-Y118 PolarHBondContact O-N 3.02Å
115I90.1Very high89.9Confident87 Ų8755.5 Ų55.545%0.44627%0.267SS..Hα-helixtrans-61.7-48.8178.4-66.2166.8000110.2L111 Q112 S117 Y118 F119L111-I115 WeakPolarHBondContact O-CG1 3.39Å; L111-I115 PolarHBondContact O-N 3.41Å; Q112-I115 PolarHBondContact O-N 2.98Å; I115-S117 PolarHBondContact O-N 3.5Å; I115-Y118 PolarHBondContact O-N 3.43Å; I115-F119 HydrophobicContact CG2-CD2 3.94Å; I115-F119 HydrophobicContact CG2-CE2 3.79Å; I115-F119 VanDerWaalsContact O-CD2 3.32Å; I115-F119 WeakPolarHBondContact O-CD2 3.26Å; I115-F119 PolarHBondContact O-N 3.44Å
116G88.5Confident89.3Confident0 Ų055.8 Ų55.80%027%0.269CS..Hα-helixtrans-59.2-45179.800000112.9Q112 F120Q112-G116 PolarHBondContact O-N 2.97Å; G116-F120 WeakPolarHBondContact O-CB 3.39Å; G116-F120 PolarHBondContact O-N 3.46Å; G116-F120 VanDerWaalsContact O-N 3.12Å
117S89.2Confident88.4Confident30 Ų3055.8 Ų55.821%0.2127%0.269CS..Hα-helixtrans-67.4-37178.860.60000113.4F78 M113 I114 I115 F120 V121F78-S117 VanDerWaalsContact CE2-CA 3.48Å; F78-S117 VanDerWaalsContact CE2-CB 3.41Å; M113-S117 VanDerWaalsContact O-CB 3.25Å; M113-S117 WeakPolarHBondContact O-CB 3.12Å; M113-S117 PolarHBondContact O-N 3.13Å; M113-S117 PolarHBondContact O-OG 3.47Å; I114-S117 PolarHBondContact O-N 3.43Å; I114-S117 PolarHBondContact O-OG 3.18Å; I115-S117 PolarHBondContact O-N 3.5Å; S117-F120 PolarHBondContact O-N 3.49Å; S117-V121 WeakPolarHBondContact O-CG2 3.44Å; S117-V121 PolarHBondContact O-N 3.44Å
118Y90.4Very high87.7Confident149 Ų14954.4 Ų54.458%0.58426%0.263SS*.Hα-helixtrans-58.5-52.8176.8174.4-95.5000111.8I114 I115 F120 V121 Y122I114-Y118 WeakPolarHBondContact O-CB 3.37Å; I114-Y118 PolarHBondContact O-N 3.02Å; I115-Y118 PolarHBondContact O-N 3.43Å; Y118-F120 VanDerWaalsContact C-N 3.34Å; Y118-F120 PolarHBondContact O-N 2.61Å; Y118-V121 PolarHBondContact O-N 3Å; Y118-Y122 WeakPolarHBondContact O-CB 3.36Å; Y118-Y122 PolarHBondContact O-N 3.42Å
119F88.8Confident87.1Confident61 Ų6157.3 Ų57.327%0.26828%0.278SS..Hα-helixtrans-67.1-35.1-179.8-76.5-67.2000112.5I115 Y122 Y123 Q151 S155I115-F119 HydrophobicContact CG2-CD2 3.94Å; I115-F119 HydrophobicContact CG2-CE2 3.79Å; I115-F119 VanDerWaalsContact O-CD2 3.32Å; I115-F119 WeakPolarHBondContact O-CD2 3.26Å; I115-F119 PolarHBondContact O-N 3.44Å; F119-Y122 PolarHBondContact O-N 3.01Å; F119-Y123 WeakPolarHBondContact O-CB 3.22Å; F119-Y123 PolarHBondContact O-N 3.02Å; F119-Q151 HydrophobicContact CD1-CB 4.28Å; F119-S155 WeakPolarHBondContact CB-OG 3.42Å; F119-S155 WeakPolarHBondContact CD2-OG 3.28Å; F119-S155 VanDerWaalsContact CG-OG 3.25Å; F119-S155 WeakPolarHBondContact CG-OG 3.38Å
120F87.1Confident86.5Confident12 Ų1260.4 Ų60.45%0.05330%0.297CS..Hα-helixtrans-61-46.2174.2-179.4-94.9000112F71 T74 F78 G116 S117 Y118 N124F71-F120 HydrophobicContact CD2-CD1 4.48Å; F71-F120 AromaticContact CD2-CE1 3.64Å; F71-F120 HydrophobicContact CD2-CE1 3.64Å; F71-F120 HydrophobicContact CD2-CZ 4.26Å; F71-F120 HydrophobicContact CE2-CE1 4.07Å; T74-F120 HydrophobicContact CG2-CD1 3.88Å; T74-F120 HydrophobicContact CG2-CD2 4.37Å; T74-F120 HydrophobicContact CG2-CE1 3.45Å; T74-F120 VanDerWaalsContact CG2-CE1 3.45Å; T74-F120 HydrophobicContact CG2-CE2 3.99Å; T74-F120 HydrophobicContact CG2-CG 4.32Å; T74-F120 HydrophobicContact CG2-CZ 3.52Å; F78-F120 HydrophobicContact CE2-CB 4.1Å; F78-F120 AromaticContact CE2-CD1 3.74Å; F78-F120 HydrophobicContact CE2-CD1 3.74Å; F78-F120 HydrophobicContact CE2-CG 4.09Å; F78-F120 HydrophobicContact CZ-CB 4.29Å; F78-F120 HydrophobicContact CZ-CD1 4.27Å; F78-F120 HydrophobicContact CZ-CG 4.26Å; G116-F120 WeakPolarHBondContact O-CB 3.39Å; G116-F120 PolarHBondContact O-N 3.46Å; G116-F120 VanDerWaalsContact O-N 3.12Å; S117-F120 PolarHBondContact O-N 3.49Å; Y118-F120 VanDerWaalsContact C-N 3.34Å; Y118-F120 PolarHBondContact O-N 2.61Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.36Å; F120-N124 PolarHBondContact O-N 3.46Å; F120-N124 VanDerWaalsContact O-N 3.1Å; F120-N124 PolarHBondContact O-ND2 3.15Å
121V86.6Confident85.7Confident34 Ų3460.3 Ų60.321%0.20629%0.294CS..Hα-helixtrans-66.9-40.9177.2172.60000111L75 S117 Y118 N124 R125L75-V121 HydrophobicContact CD1-CG2 4.46Å; S117-V121 WeakPolarHBondContact O-CG2 3.44Å; S117-V121 PolarHBondContact O-N 3.44Å; Y118-V121 PolarHBondContact O-N 3Å; V121-N124 PolarHBondContact O-N 2.99Å; V121-R125 HydrophobicContact CG1-CG 4.46Å; V121-R125 WeakPolarHBondContact O-CB 3.37Å; V121-R125 WeakPolarHBondContact O-CG 3.31Å; V121-R125 PolarHBondContact O-N 2.96Å
122Y87.1Confident84.9Confident95 Ų9562.7 Ų62.737%0.37330%0.302SS..Hα-helixtrans-59.3-48.6176.5175-100.3000111.7Y118 F119 N124 R125 A126 E148Y118-Y122 WeakPolarHBondContact O-CB 3.36Å; Y118-Y122 PolarHBondContact O-N 3.42Å; F119-Y122 PolarHBondContact O-N 3.01Å; Y122-N124 PolarHBondContact O-N 3.07Å; Y122-R125 PolarHBondContact O-N 3.3Å; Y122-A126 HydrophobicContact CD2-CB 4.37Å; Y122-A126 HydrophobicContact CE2-CB 4.02Å; Y122-A126 PolarHBondContact O-N 3.29Å; Y122-E148 HydrophobicContact CE1-CG 4.05Å
123Y83.9Confident83.8Confident8 Ų862.6 Ų62.63%0.03131%0.306CS..Iπ-helixtrans-61.2-45.1177.7175.8-102.6000112.4F119 R125 G127 L128 L131 E148 F149 C152F119-Y123 WeakPolarHBondContact O-CB 3.22Å; F119-Y123 PolarHBondContact O-N 3.02Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 3.19Å; Y123-G127 CarbonylContact O-C 3.48Å; Y123-G127 WeakPolarHBondContact O-CA 3.46Å; Y123-G127 PolarHBondContact O-N 2.83Å; Y123-L128 HydrophobicContact CE1-CD2 4.02Å; Y123-L128 HydrophobicContact CE1-CG 4.18Å; Y123-L128 PolarHBondContact O-N 3.31Å; Y123-L131 WeakPolarHBondContact OH-CD2 3.32Å; Y123-E148 VanDerWaalsContact CD2-C 3.42Å; Y123-E148 HydrophobicContact CD2-CB 3.9Å; Y123-E148 WeakPolarHBondContact CD2-O 3.41Å; Y123-E148 HydrophobicContact CE2-CB 4.4Å; Y123-F149 HydrophobicContact CE2-CB 3.77Å; Y123-F149 HydrophobicContact CE2-CD2 4.17Å; Y123-F149 HydrophobicContact CE2-CG 4.5Å; Y123-F149 AromaticContact CZ-CD2 3.83Å; Y123-F149 WeakPolarHBondContact OH-CD2 3.25Å; Y123-C152 HydrophobicContact CD1-CB 3.86Å; Y123-C152 VanDerWaalsContact CD1-SG 3.53Å; Y123-C152 HydrophobicContact CD2-CB 3.93Å; Y123-C152 HydrophobicContact CG-CB 3.48Å; Y123-C152 VanDerWaalsContact CG-CB 3.48Å
124N82.4Confident82.9Confident23 Ų2371.6 Ų71.612%0.12335%0.345CS..Iπ-helixtrans-66-27.8179.8-84-87.2000113.4F71 F120 V121 Y122 L128F71-N124 HydrophobicContact CD2-CB 3.64Å; F71-N124 VanDerWaalsContact CD2-CG 3.46Å; F71-N124 HydrophobicContact CE2-CB 3.66Å; F120-N124 WeakPolarHBondContact CZ-ND2 3.36Å; F120-N124 PolarHBondContact O-N 3.46Å; F120-N124 VanDerWaalsContact O-N 3.1Å; F120-N124 PolarHBondContact O-ND2 3.15Å; V121-N124 PolarHBondContact O-N 2.99Å; Y122-N124 PolarHBondContact O-N 3.07Å; N124-L128 HydrophobicContact CB-CD1 4.45Å
125R83.9Confident82Confident187 Ų18770.4 Ų70.471%0.70634%0.339SS*.Iπ-helixtrans-91-41.7179.8-71.8-175.5176.4-171.6-0113.8V121 Y122 Y123 L129V121-R125 HydrophobicContact CG1-CG 4.46Å; V121-R125 WeakPolarHBondContact O-CB 3.37Å; V121-R125 WeakPolarHBondContact O-CG 3.31Å; V121-R125 PolarHBondContact O-N 2.96Å; Y122-R125 PolarHBondContact O-N 3.3Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 3.19Å; R125-L129 VanDerWaalsContact O-CD1 3.31Å; R125-L129 WeakPolarHBondContact O-CD1 3.46Å
126A81.9Confident81.1Confident35 Ų3569.7 Ų69.729%0.28934%0.336SS..Iπ-helixtrans-110.6-47.2-173.500000111.9Y122 L128 L129Y122-A126 HydrophobicContact CD2-CB 4.37Å; Y122-A126 HydrophobicContact CE2-CB 4.02Å; Y122-A126 PolarHBondContact O-N 3.29Å; A126-L128 PolarHBondContact O-N 2.85Å; A126-L129 WeakPolarHBondContact O-CB 3.45Å; A126-L129 PolarHBondContact O-N 3.43Å; A126-L129 VanDerWaalsContact O-N 3.11Å
127G76.1Confident80.1Confident0 Ų075.2 Ų75.20%036%0.361CS..Iπ-helixtrans-58.7-43.7-17800000113.2Y123 L129 V130 L131Y123-G127 CarbonylContact O-C 3.48Å; Y123-G127 WeakPolarHBondContact O-CA 3.46Å; Y123-G127 PolarHBondContact O-N 2.83Å; G127-L129 PolarHBondContact O-N 3.3Å; G127-V130 WeakPolarHBondContact O-CG2 3.38Å; G127-V130 PolarHBondContact O-N 2.87Å; G127-L131 WeakPolarHBondContact O-CB 3.23Å; G127-L131 PolarHBondContact O-N 2.85Å
128L78.6Confident79.2Confident54 Ų5482.8 Ų82.828%0.28339%0.386SS..Hα-helixtrans-63.4-25.7177.9-75.8177.4000113.9N67 Y123 N124 A126 V130 L131N67-L128 VanDerWaalsContact ND2-CD1 3.33Å; N67-L128 WeakPolarHBondContact ND2-CD1 3.44Å; Y123-L128 HydrophobicContact CE1-CD2 4.02Å; Y123-L128 HydrophobicContact CE1-CG 4.18Å; Y123-L128 PolarHBondContact O-N 3.31Å; N124-L128 HydrophobicContact CB-CD1 4.45Å; A126-L128 PolarHBondContact O-N 2.85Å; L128-V130 VanDerWaalsContact C-N 3.34Å; L128-L131 HydrophobicContact CD2-CD2 4.33Å
129L81.6Confident78.6Confident150 Ų15076.3 Ų76.379%0.78536%0.361SS*.Hα-helixtrans-74.4-27.6178.4-64.4174.9000112.5R125 A126 G127R125-L129 VanDerWaalsContact O-CD1 3.31Å; R125-L129 WeakPolarHBondContact O-CD1 3.46Å; A126-L129 WeakPolarHBondContact O-CB 3.45Å; A126-L129 PolarHBondContact O-N 3.43Å; A126-L129 VanDerWaalsContact O-N 3.11Å; G127-L129 PolarHBondContact O-N 3.3Å
130V81Confident78.3Confident67 Ų6780 Ų8041%0.40638%0.377SS..Hα-helixtrans-101.4-7.9-179-64.30000112.9G127 L128 Q132 P144G127-V130 WeakPolarHBondContact O-CG2 3.38Å; G127-V130 PolarHBondContact O-N 2.87Å; L128-V130 VanDerWaalsContact C-N 3.34Å; V130-Q132 PolarHBondContact O-N 2.67Å; V130-P144 CarbonylContact O-C 3.33Å
131L77.2Confident78.3Confident30 Ų3087 Ų8716%0.15741%0.41CS..  trans-72.2113.8-176.4-165.579.8000111.7Y123 G127 L128 A133 L136 I139 P144 F149Y123-L131 WeakPolarHBondContact OH-CD2 3.32Å; G127-L131 WeakPolarHBondContact O-CB 3.23Å; G127-L131 PolarHBondContact O-N 2.85Å; L128-L131 HydrophobicContact CD2-CD2 4.33Å; L131-A133 HydrophobicContact CD1-CB 4.45Å; L131-A133 HydrophobicContact CG-CB 4.26Å; L131-L136 HydrophobicContact CD2-CD2 3.69Å; L131-L136 HydrophobicContact CD2-CG 4.44Å; L131-I139 HydrophobicContact CD1-CD1 3.52Å; L131-I139 HydrophobicContact CD2-CD1 4.2Å; L131-I139 HydrophobicContact CG-CD1 4.32Å; L131-P144 WeakPolarHBondContact CA-O 3.45Å; L131-F149 HydrophobicContact CD1-CB 4.38Å
132Q75.3Confident78.2Confident150 Ų15091.8 Ų91.870%0.70144%0.435SS*.  trans-122.151.1170.6-53.3-176.9-14.900111.5V130 P144V130-Q132 PolarHBondContact O-N 2.67Å; Q132-P144 HydrophobicContact CB-CG 3.77Å; Q132-P144 HydrophobicContact CG-CG 4.03Å; Q132-P144 PolarHBondContact N-O 3.15Å; Q132-P144 VanDerWaalsContact N-O 3.16Å
133A69.8Low78Confident25 Ų2588.5 Ų88.521%0.20742%0.422CS..  trans-75.3134.1178.400000111.4L131 N135 I139L131-A133 HydrophobicContact CD1-CB 4.45Å; L131-A133 HydrophobicContact CG-CB 4.26Å; A133-N135 PolarHBondContact O-N 2.95Å; A133-I139 HydrophobicContact CB-CB 4.26Å; A133-I139 HydrophobicContact CB-CD1 3.82Å; A133-I139 HydrophobicContact CB-CG1 3.67Å; A133-I139 HydrophobicContact CB-CG2 3.93Å
134K71Confident77.9Confident201 Ų20191.1 Ų91.187%0.87444%0.44SS*.SBendtrans-66.9-26.8169.8-69-176.8-179.1-176.70112.1E143K134-E143 PolarHBondContact N-OE1 3.2Å
135N72.2Confident77.9Confident80 Ų8090.3 Ų90.343%0.42844%0.438SS..  trans-140.5112.9175.5-173.1-11.5000110.3A133 F137 Y138A133-N135 PolarHBondContact O-N 2.95Å; N135-F137 PolarHBondContact O-N 2.88Å; N135-F137 VanDerWaalsContact O-N 3.1Å; N135-F137 PolarHBondContact OD1-N 3.27Å; N135-Y138 CarbonylContact O-C 3.23Å; N135-Y138 VanDerWaalsContact O-C 3.23Å; N135-Y138 PolarHBondContact O-N 2.86Å
136L69.9Low78Confident73 Ų7384 Ų8438%0.38241%0.414SS..THydrogen-bonded Turntrans-57.5-23.2178.4-86.6136000114.1L131L131-L136 HydrophobicContact CD2-CD2 3.69Å; L131-L136 HydrophobicContact CD2-CG 4.44Å
137F68.5Low78.2Confident116 Ų11689.9 Ų89.951%0.50943%0.434SS..THydrogen-bonded Turntrans-89.2-15.1179.1-59.5-72.5000113.5K64 N135K64-F137 HydrophobicContact CD-CE2 4.49Å; N135-F137 PolarHBondContact O-N 2.88Å; N135-F137 VanDerWaalsContact O-N 3.1Å; N135-F137 PolarHBondContact OD1-N 3.27Å
138Y70.4Confident78.6Confident189 Ų18992.2 Ų92.274%0.74144%0.444SS*.SBendtrans-147.882.8-177.8-125-89000109.4N135N135-Y138 CarbonylContact O-C 3.23Å; N135-Y138 VanDerWaalsContact O-C 3.23Å; N135-Y138 PolarHBondContact O-N 2.86Å
139I77.9Confident78.9Confident12 Ų1291.7 Ų91.76%0.06244%0.44CS..  trans-86.7126.7-179.2-48.8-172.2000107.8L131 A133 E143 Y146 F149L131-I139 HydrophobicContact CD1-CD1 3.52Å; L131-I139 HydrophobicContact CD2-CD1 4.2Å; L131-I139 HydrophobicContact CG-CD1 4.32Å; A133-I139 HydrophobicContact CB-CB 4.26Å; A133-I139 HydrophobicContact CB-CD1 3.82Å; A133-I139 HydrophobicContact CB-CG1 3.67Å; A133-I139 HydrophobicContact CB-CG2 3.93Å; I139-E143 WeakPolarHBondContact CA-OE2 3.46Å; I139-E143 HydrophobicContact CG2-CB 3.93Å; I139-E143 WeakPolarHBondContact CG2-OE2 3.33Å; I139-Y146 HydrophobicContact CB-CD2 4.26Å; I139-Y146 HydrophobicContact CG2-CD2 4.04Å; I139-Y146 WeakPolarHBondContact O-CD2 3.36Å; I139-Y146 WeakPolarHBondContact O-CE2 3.29Å; I139-F149 HydrophobicContact CB-CD1 4.14Å; I139-F149 HydrophobicContact CB-CE1 4.46Å; I139-F149 HydrophobicContact CD1-CB 3.79Å; I139-F149 HydrophobicContact CD1-CD1 3.6Å; I139-F149 HydrophobicContact CD1-CD2 3.48Å; I139-F149 VanDerWaalsContact CD1-CD2 3.48Å; I139-F149 HydrophobicContact CD1-CE1 3.99Å; I139-F149 HydrophobicContact CD1-CE2 3.86Å; I139-F149 HydrophobicContact CD1-CG 3.31Å; I139-F149 HydrophobicContact CD1-CZ 4.1Å; I139-F149 HydrophobicContact CG1-CD1 3.96Å; I139-F149 HydrophobicContact CG1-CE1 4.06Å; I139-F149 HydrophobicContact CG1-CG 4.19Å; I139-F149 HydrophobicContact CG1-CZ 4.38Å
140K82.7Confident79Confident138 Ų13887.5 Ų87.560%0.642%0.418SS*.  trans-80.7151.4179.6-62.7-178.6179.4-176.20110.3N142 E143 Y146K140-N142 WeakPolarHBondContact CB-OD1 3.4Å; K140-N142 PolarHBondContact O-N 3.45Å; K140-E143 HydrophobicContact CB-CG 4.16Å; K140-E143 PolarHBondContact N-OE2 3.3Å; K140-E143 WeakPolarHBondContact O-CB 3.4Å; K140-E143 PolarHBondContact O-N 3.38Å; K140-Y146 WeakPolarHBondContact O-CD2 3.47Å
141E85.2Confident79.2Confident159 Ų15988.4 Ų88.474%0.74342%0.418SS*.THydrogen-bonded Turntrans-55.4-27.9-178.8-71.5-177.717900114.2Y146E141-Y146 HydrophobicContact CB-CD1 4.41Å; E141-Y146 HydrophobicContact CB-CE1 4.25Å; E141-Y146 HydrophobicContact CG-CD1 4.4Å; E141-Y146 HydrophobicContact CG-CE1 3.76Å; E141-Y146 HydrophobicContact CG-CE2 4.04Å
142N85.2Confident79.6Confident136 Ų13687.5 Ų87.573%0.72741%0.414SS*.THydrogen-bonded Turntrans-89.6-5179.965.4-26.9000114.2K140K140-N142 WeakPolarHBondContact CB-OD1 3.4Å; K140-N142 PolarHBondContact O-N 3.45Å
143E83.7Confident80Confident25 Ų2581.5 Ų81.512%0.11739%0.39CS..SBendtrans-80.6137.8176.6-70.2178.4143.800110.5K134 I139 K140 Y146K134-E143 PolarHBondContact N-OE1 3.2Å; I139-E143 WeakPolarHBondContact CA-OE2 3.46Å; I139-E143 HydrophobicContact CG2-CB 3.93Å; I139-E143 WeakPolarHBondContact CG2-OE2 3.33Å; K140-E143 HydrophobicContact CB-CG 4.16Å; K140-E143 PolarHBondContact N-OE2 3.3Å; K140-E143 WeakPolarHBondContact O-CB 3.4Å; K140-E143 PolarHBondContact O-N 3.38Å; E143-Y146 VanDerWaalsContact O-CB 3.23Å; E143-Y146 WeakPolarHBondContact O-CB 3.37Å; E143-Y146 PolarHBondContact O-N 3.22Å; E143-Y146 VanDerWaalsContact O-N 3.17Å
144P82.4Confident80.8Confident63 Ų6384.2 Ų84.241%0.40940%0.401SS..THydrogen-bonded Turntrans-66.2138.6178.428-32.5000110.1V130 L131 Q132V130-P144 CarbonylContact O-C 3.33Å; L131-P144 WeakPolarHBondContact CA-O 3.45Å; Q132-P144 HydrophobicContact CB-CG 3.77Å; Q132-P144 HydrophobicContact CG-CG 4.03Å; Q132-P144 PolarHBondContact N-O 3.15Å; Q132-P144 VanDerWaalsContact N-O 3.16Å
145G81.4Confident81.5Confident7 Ų774.9 Ų74.97%0.07236%0.361CS..THydrogen-bonded Turntrans87.6-0.7-171.100000115K147 E148 F149G145-K147 PolarHBondContact O-N 2.91Å; G145-E148 VanDerWaalsContact C-OE2 3.32Å; G145-E148 VanDerWaalsContact CA-OE2 3.23Å; G145-E148 WeakPolarHBondContact CA-OE2 3.44Å; G145-E148 PolarHBondContact O-N 3.05Å; G145-F149 WeakPolarHBondContact O-CB 3.48Å; G145-F149 PolarHBondContact O-N 2.96Å
146Y85.4Confident82Confident54 Ų5475 Ų7521%0.21236%0.358CS..Hα-helixtrans-58.6-43.3178.4173.2-95.7000113I139 K140 E141 E143 E148 F149 N150I139-Y146 HydrophobicContact CB-CD2 4.26Å; I139-Y146 HydrophobicContact CG2-CD2 4.04Å; I139-Y146 WeakPolarHBondContact O-CD2 3.36Å; I139-Y146 WeakPolarHBondContact O-CE2 3.29Å; K140-Y146 WeakPolarHBondContact O-CD2 3.47Å; E141-Y146 HydrophobicContact CB-CD1 4.41Å; E141-Y146 HydrophobicContact CB-CE1 4.25Å; E141-Y146 HydrophobicContact CG-CD1 4.4Å; E141-Y146 HydrophobicContact CG-CE1 3.76Å; E141-Y146 HydrophobicContact CG-CE2 4.04Å; E143-Y146 VanDerWaalsContact O-CB 3.23Å; E143-Y146 WeakPolarHBondContact O-CB 3.37Å; E143-Y146 PolarHBondContact O-N 3.22Å; E143-Y146 VanDerWaalsContact O-N 3.17Å; Y146-E148 PolarHBondContact O-N 3.17Å; Y146-F149 PolarHBondContact O-N 3.44Å; Y146-N150 HydrophobicContact CE1-CB 4.39Å; Y146-N150 WeakPolarHBondContact O-CB 3.35Å; Y146-N150 PolarHBondContact O-N 3.5Å
147K85.9Confident82.7Confident159 Ų15978.7 Ų78.769%0.69137%0.367SS*.Hα-helixtrans-63.2-44.9-178.3-74-174.5178.6179.50111.1G145 N150 Q151G145-K147 PolarHBondContact O-N 2.91Å; K147-N150 PolarHBondContact O-N 3.24Å; K147-Q151 WeakPolarHBondContact O-CB 3.26Å; K147-Q151 VanDerWaalsContact O-CG 3.31Å; K147-Q151 WeakPolarHBondContact O-CG 3.49Å; K147-Q151 PolarHBondContact O-N 2.94Å
148E85.5Confident83.6Confident48 Ų4877.5 Ų77.522%0.22436%0.362CS..Hα-helixtrans-65.2-42.6179-63.379.3-179.800110.6Y122 Y123 G145 Y146 Q151 C152Y122-E148 HydrophobicContact CE1-CG 4.05Å; Y123-E148 VanDerWaalsContact CD2-C 3.42Å; Y123-E148 HydrophobicContact CD2-CB 3.9Å; Y123-E148 WeakPolarHBondContact CD2-O 3.41Å; Y123-E148 HydrophobicContact CE2-CB 4.4Å; G145-E148 VanDerWaalsContact C-OE2 3.32Å; G145-E148 VanDerWaalsContact CA-OE2 3.23Å; G145-E148 WeakPolarHBondContact CA-OE2 3.44Å; G145-E148 PolarHBondContact O-N 3.05Å; Y146-E148 PolarHBondContact O-N 3.17Å; E148-Q151 PolarHBondContact O-N 2.84Å; E148-C152 WeakPolarHBondContact O-CB 3.41Å; E148-C152 PolarHBondContact O-N 3.27Å
149F83.7Confident84.3Confident43 Ų4369 Ų6919%0.18933%0.329CS..Hα-helixtrans-62.4-47.8175.3176.9-102.3000112Y123 L131 I139 G145 Y146 Q151 C152 A153Y123-F149 HydrophobicContact CE2-CB 3.77Å; Y123-F149 HydrophobicContact CE2-CD2 4.17Å; Y123-F149 HydrophobicContact CE2-CG 4.5Å; Y123-F149 AromaticContact CZ-CD2 3.83Å; Y123-F149 WeakPolarHBondContact OH-CD2 3.25Å; L131-F149 HydrophobicContact CD1-CB 4.38Å; I139-F149 HydrophobicContact CB-CD1 4.14Å; I139-F149 HydrophobicContact CB-CE1 4.46Å; I139-F149 HydrophobicContact CD1-CB 3.79Å; I139-F149 HydrophobicContact CD1-CD1 3.6Å; I139-F149 HydrophobicContact CD1-CD2 3.48Å; I139-F149 VanDerWaalsContact CD1-CD2 3.48Å; I139-F149 HydrophobicContact CD1-CE1 3.99Å; I139-F149 HydrophobicContact CD1-CE2 3.86Å; I139-F149 HydrophobicContact CD1-CG 3.31Å; I139-F149 HydrophobicContact CD1-CZ 4.1Å; I139-F149 HydrophobicContact CG1-CD1 3.96Å; I139-F149 HydrophobicContact CG1-CE1 4.06Å; I139-F149 HydrophobicContact CG1-CG 4.19Å; I139-F149 HydrophobicContact CG1-CZ 4.38Å; G145-F149 WeakPolarHBondContact O-CB 3.48Å; G145-F149 PolarHBondContact O-N 2.96Å; Y146-F149 PolarHBondContact O-N 3.44Å; F149-Q151 VanDerWaalsContact C-N 3.34Å; F149-Q151 PolarHBondContact O-N 2.93Å; F149-C152 WeakPolarHBondContact O-CB 3.44Å; F149-C152 PolarHBondContact O-N 3.06Å; F149-C152 VanDerWaalsContact O-N 3.13Å; F149-A153 PolarHBondContact O-N 3.1Å
150N85.3Confident84.7Confident63 Ų6370.1 Ų70.134%0.33734%0.335SS..Hα-helixtrans-63.4-40.9-179.6-168.735.5000111.5Y146 K147 C152 A153 I154Y146-N150 HydrophobicContact CE1-CB 4.39Å; Y146-N150 WeakPolarHBondContact O-CB 3.35Å; Y146-N150 PolarHBondContact O-N 3.5Å; K147-N150 PolarHBondContact O-N 3.24Å; N150-C152 VanDerWaalsContact C-N 3.34Å; N150-C152 PolarHBondContact O-N 3.47Å; N150-A153 PolarHBondContact O-N 3Å; N150-I154 VanDerWaalsContact O-CG1 3.3Å; N150-I154 WeakPolarHBondContact O-CG1 3.42Å; N150-I154 PolarHBondContact O-N 3.36Å
151Q85Confident85Confident86 Ų8667.4 Ų67.440%0.40233%0.327SS..Hα-helixtrans-61-41.7172.7-75.7178.4-9.800112.2F119 K147 E148 F149 S155F119-Q151 HydrophobicContact CD1-CB 4.28Å; K147-Q151 WeakPolarHBondContact O-CB 3.26Å; K147-Q151 VanDerWaalsContact O-CG 3.31Å; K147-Q151 WeakPolarHBondContact O-CG 3.49Å; K147-Q151 PolarHBondContact O-N 2.94Å; E148-Q151 PolarHBondContact O-N 2.84Å; F149-Q151 VanDerWaalsContact C-N 3.34Å; F149-Q151 PolarHBondContact O-N 2.93Å; Q151-S155 VanDerWaalsContact O-CB 3.23Å; Q151-S155 WeakPolarHBondContact O-CB 3.34Å; Q151-S155 PolarHBondContact O-N 3.31Å; Q151-S155 PolarHBondContact O-OG 3.2Å
152C84.7Confident85.2Confident10 Ų1059.9 Ų59.97%0.06829%0.292CS..Hα-helixtrans-62.3-45.4175-167.90000111.9Y123 E148 F149 N150 S155 E156Y123-C152 HydrophobicContact CD1-CB 3.86Å; Y123-C152 VanDerWaalsContact CD1-SG 3.53Å; Y123-C152 HydrophobicContact CD2-CB 3.93Å; Y123-C152 HydrophobicContact CG-CB 3.48Å; Y123-C152 VanDerWaalsContact CG-CB 3.48Å; E148-C152 WeakPolarHBondContact O-CB 3.41Å; E148-C152 PolarHBondContact O-N 3.27Å; F149-C152 WeakPolarHBondContact O-CB 3.44Å; F149-C152 PolarHBondContact O-N 3.06Å; F149-C152 VanDerWaalsContact O-N 3.13Å; N150-C152 VanDerWaalsContact C-N 3.34Å; N150-C152 PolarHBondContact O-N 3.47Å; C152-S155 CarbonylContact O-C 3.59Å; C152-S155 WeakPolarHBondContact O-CB 3.23Å; C152-S155 PolarHBondContact O-N 3.35Å; C152-E156 PolarHBondContact O-N 3.41Å
153A83.9Confident85.4Confident25 Ų2554 Ų5421%0.20726%0.26CS..Hα-helixtrans-63.5-45.5-179.600000111.7F149 N150 S155 E156 W157F149-A153 PolarHBondContact O-N 3.1Å; N150-A153 PolarHBondContact O-N 3Å; A153-S155 VanDerWaalsContact C-N 3.25Å; A153-S155 PolarHBondContact O-N 3.45Å; A153-E156 WeakPolarHBondContact O-CB 3.23Å; A153-E156 PolarHBondContact O-N 2.91Å; A153-W157 VanDerWaalsContact O-CD1 3.23Å; A153-W157 PolarHBondContact O-N 2.89Å
154I86.1Confident85.7Confident82 Ų8256.3 Ų56.342%0.42127%0.272SS..Hα-helixtrans-58.8-42.8174.1-68.3166000110.2N150 E156 W157 F158N150-I154 VanDerWaalsContact O-CG1 3.3Å; N150-I154 WeakPolarHBondContact O-CG1 3.42Å; N150-I154 PolarHBondContact O-N 3.36Å; I154-E156 PolarHBondContact O-N 2.7Å; I154-W157 WeakPolarHBondContact O-CB 3.21Å; I154-W157 PolarHBondContact O-N 2.9Å; I154-F158 HydrophobicContact CG2-CD2 3.88Å; I154-F158 HydrophobicContact CG2-CE2 3.72Å; I154-F158 WeakPolarHBondContact O-CD2 3.37Å; I154-F158 PolarHBondContact O-N 3.46Å
155S85.7Confident86.2Confident5 Ų556.4 Ų56.44%0.03527%0.268CS..Hα-helixtrans-68.3-34-179-61.90000113.2F119 Q151 C152 A153 W157 F158 M159F119-S155 WeakPolarHBondContact CB-OG 3.42Å; F119-S155 WeakPolarHBondContact CD2-OG 3.28Å; F119-S155 VanDerWaalsContact CG-OG 3.25Å; F119-S155 WeakPolarHBondContact CG-OG 3.38Å; Q151-S155 VanDerWaalsContact O-CB 3.23Å; Q151-S155 WeakPolarHBondContact O-CB 3.34Å; Q151-S155 PolarHBondContact O-N 3.31Å; Q151-S155 PolarHBondContact O-OG 3.2Å; C152-S155 CarbonylContact O-C 3.59Å; C152-S155 WeakPolarHBondContact O-CB 3.23Å; C152-S155 PolarHBondContact O-N 3.35Å; A153-S155 VanDerWaalsContact C-N 3.25Å; A153-S155 PolarHBondContact O-N 3.45Å; S155-W157 VanDerWaalsContact C-N 3.32Å; S155-F158 PolarHBondContact O-N 3.17Å; S155-M159 WeakPolarHBondContact O-CG 3.41Å; S155-M159 PolarHBondContact O-N 3.35Å
156E82.5Confident86.7Confident81 Ų8156.2 Ų56.238%0.37927%0.265SS..Hα-helixtrans-60.9-42.5171-170.4-177.2167.100111C152 A153 I154 M159 I160C152-E156 PolarHBondContact O-N 3.41Å; A153-E156 WeakPolarHBondContact O-CB 3.23Å; A153-E156 PolarHBondContact O-N 2.91Å; I154-E156 PolarHBondContact O-N 2.7Å; E156-M159 WeakPolarHBondContact O-CB 3.45Å; E156-M159 PolarHBondContact O-N 2.94Å; E156-I160 HydrophobicContact CG-CD1 4.08Å; E156-I160 WeakPolarHBondContact O-CG1 3.32Å; E156-I160 PolarHBondContact O-N 2.86Å
157W86.3Confident86.9Confident151 Ų15154.4 Ų54.457%0.57226%0.26SS*.Hα-helixtrans-64.8-40.2174.4-77.7106000112.7A153 I154 S155 M159 I160 L161A153-W157 VanDerWaalsContact O-CD1 3.23Å; A153-W157 PolarHBondContact O-N 2.89Å; I154-W157 WeakPolarHBondContact O-CB 3.21Å; I154-W157 PolarHBondContact O-N 2.9Å; S155-W157 VanDerWaalsContact C-N 3.32Å; W157-M159 VanDerWaalsContact C-N 3.29Å; W157-M159 PolarHBondContact O-N 3.47Å; W157-I160 HydrophobicContact CE3-CD1 4.41Å; W157-I160 PolarHBondContact O-N 3.44Å; W157-L161 WeakPolarHBondContact O-CB 3.36Å; W157-L161 VanDerWaalsContact O-CG 3.29Å; W157-L161 WeakPolarHBondContact O-CG 3.36Å; W157-L161 PolarHBondContact O-N 3.43Å
158F86.1Confident87.3Confident92 Ų9252.1 Ų52.140%0.40425%0.254SS..Hα-helixtrans-58.5-42.1171.2-86.2-79.1000111.6Q112 I154 S155 G162Q112-F158 HydrophobicContact CG-CB 4.13Å; Q112-F158 HydrophobicContact CG-CD1 3.9Å; Q112-F158 VanDerWaalsContact CG-O 3.3Å; Q112-F158 WeakPolarHBondContact CG-O 3.16Å; Q112-F158 PolarHBondContact NE2-O 3.41Å; I154-F158 HydrophobicContact CG2-CD2 3.88Å; I154-F158 HydrophobicContact CG2-CE2 3.72Å; I154-F158 WeakPolarHBondContact O-CD2 3.37Å; I154-F158 PolarHBondContact O-N 3.46Å; S155-F158 PolarHBondContact O-N 3.17Å; F158-G162 PolarHBondContact O-N 3.26Å
159M85.9Confident87.6Confident10 Ų1050.7 Ų50.75%0.04925%0.248CC..Hα-helixtrans-61.5-50.1174.9-73.4-60.1-38.100112.1F78 M113 S155 E156 W157 L161 G162 L163F78-M159 HydrophobicContact CD1-CE 3.59Å; F78-M159 HydrophobicContact CD1-SD 4.2Å; F78-M159 HydrophobicContact CE1-CE 3.31Å; F78-M159 HydrophobicContact CE1-CG 3.88Å; F78-M159 HydrophobicContact CE1-SD 3.62Å; F78-M159 HydrophobicContact CZ-CE 4.28Å; F78-M159 HydrophobicContact CZ-CG 4Å; F78-M159 HydrophobicContact CZ-SD 4.01Å; M113-M159 VanDerWaalsContact CA-SD 3.54Å; M113-M159 HydrophobicContact CB-CE 3.85Å; M113-M159 HydrophobicContact CB-SD 4.07Å; M113-M159 HydrophobicContact CE-CE 3.33Å; M113-M159 HydrophobicContact CG-CE 3.72Å; M113-M159 HydrophobicContact CG-SD 4.37Å; M113-M159 HydrophobicContact SD-CE 4.4Å; S155-M159 WeakPolarHBondContact O-CG 3.41Å; S155-M159 PolarHBondContact O-N 3.35Å; E156-M159 WeakPolarHBondContact O-CB 3.45Å; E156-M159 PolarHBondContact O-N 2.94Å; W157-M159 VanDerWaalsContact C-N 3.29Å; W157-M159 PolarHBondContact O-N 3.47Å; M159-L161 VanDerWaalsContact C-N 3.32Å; M159-L161 PolarHBondContact O-N 3.41Å; M159-G162 PolarHBondContact O-N 2.96Å; M159-G162 VanDerWaalsContact O-N 3.14Å; M159-L163 WeakPolarHBondContact O-CG 3.36Å; M159-L163 PolarHBondContact O-N 3.04Å
160I86Confident88Confident36 Ų3648.7 Ų48.719%0.18524%0.239CC..Hα-helixtrans-60-43.5-179.4-69.5162.6000110.7E156 W157 G162 L163 I164E156-I160 HydrophobicContact CG-CD1 4.08Å; E156-I160 WeakPolarHBondContact O-CG1 3.32Å; E156-I160 PolarHBondContact O-N 2.86Å; W157-I160 HydrophobicContact CE3-CD1 4.41Å; W157-I160 PolarHBondContact O-N 3.44Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 2.95Å; I160-L163 WeakPolarHBondContact O-CB 3.47Å; I160-L163 PolarHBondContact O-N 2.93Å; I160-I164 HydrophobicContact CG2-CD1 4.02Å; I160-I164 WeakPolarHBondContact O-CG1 3.33Å; I160-I164 PolarHBondContact O-N 2.91Å
161L89.5Confident88.3Confident81 Ų8147.4 Ų47.442%0.42424%0.241SC..Hα-helixtrans-62.6-42.2175.8-71.8172.8000111.5Q112 W157 M159 L163 I164 E165Q112-L161 VanDerWaalsContact NE2-CB 3.29Å; W157-L161 WeakPolarHBondContact O-CB 3.36Å; W157-L161 VanDerWaalsContact O-CG 3.29Å; W157-L161 WeakPolarHBondContact O-CG 3.36Å; W157-L161 PolarHBondContact O-N 3.43Å; M159-L161 VanDerWaalsContact C-N 3.32Å; M159-L161 PolarHBondContact O-N 3.41Å; L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.36Å; L161-I164 PolarHBondContact O-N 2.74Å; L161-E165 WeakPolarHBondContact O-CB 3.3Å; L161-E165 VanDerWaalsContact O-CG 3.28Å; L161-E165 WeakPolarHBondContact O-CG 3.49Å; L161-E165 PolarHBondContact O-N 3.33Å
162G89.6Confident88.7Confident0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-63.7-35.5177.100000112.6V109 Q112 F158 M159 I160 E165 I166V109-G162 WeakPolarHBondContact CG1-O 3.35Å; Q112-G162 VanDerWaalsContact NE2-N 3.14Å; F158-G162 PolarHBondContact O-N 3.26Å; M159-G162 PolarHBondContact O-N 2.96Å; M159-G162 VanDerWaalsContact O-N 3.14Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 2.95Å; G162-E165 PolarHBondContact O-N 3.3Å; G162-I166 PolarHBondContact O-N 3.3Å
163L89Confident89Confident13 Ų1348 Ų487%0.06825%0.245CC..Hα-helixtrans-63.2-48.3172.5-71.3177.1000111.4Y9 I55 H81 M113 M159 I160 L161 E165 I166 T167Y9-L163 HydrophobicContact CE1-CB 3.89Å; Y9-L163 HydrophobicContact CE1-CD1 4.23Å; Y9-L163 WeakPolarHBondContact OH-CB 3.43Å; Y9-L163 PolarHBondContact OH-O 3.3Å; I55-L163 HydrophobicContact CD1-CD1 4.24Å; I55-L163 HydrophobicContact CD1-CD2 4.46Å; H81-L163 VanDerWaalsContact CE1-CD2 3.42Å; H81-L163 WeakPolarHBondContact CE1-CD2 3.23Å; H81-L163 WeakPolarHBondContact NE2-CD2 3.48Å; M113-L163 HydrophobicContact CE-CD2 3.61Å; M113-L163 HydrophobicContact CE-CG 4.23Å; M159-L163 WeakPolarHBondContact O-CG 3.36Å; M159-L163 PolarHBondContact O-N 3.04Å; I160-L163 WeakPolarHBondContact O-CB 3.47Å; I160-L163 PolarHBondContact O-N 2.93Å; L161-L163 VanDerWaalsContact C-N 3.29Å; L161-L163 PolarHBondContact O-N 3.36Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-E165 PolarHBondContact O-N 2.88Å; L163-I166 WeakPolarHBondContact O-CG2 3.49Å; L163-I166 PolarHBondContact O-N 3.12Å; L163-T167 PolarHBondContact O-N 2.86Å; L163-T167 VanDerWaalsContact O-N 3.16Å; L163-T167 PolarHBondContact O-OG1 2.98Å; L163-T167 VanDerWaalsContact O-OG1 3.11Å
164I89.9Confident89.3Confident73 Ų7348.2 Ų48.237%0.37424%0.243SC..Hα-helixtrans-60.5-46.4176.5-66.6165.9000110.4Y9 I160 L161 I166 T167 L168Y9-I164 HydrophobicContact CE2-CG1 4.43Å; I160-I164 HydrophobicContact CG2-CD1 4.02Å; I160-I164 WeakPolarHBondContact O-CG1 3.33Å; I160-I164 PolarHBondContact O-N 2.91Å; L161-I164 PolarHBondContact O-N 2.74Å; I164-I166 PolarHBondContact O-N 2.86Å; I164-T167 WeakPolarHBondContact O-CB 3.37Å; I164-T167 PolarHBondContact O-N 3.39Å; I164-L168 HydrophobicContact CG2-CD1 3.99Å; I164-L168 HydrophobicContact CG2-CG 4.39Å; I164-L168 WeakPolarHBondContact O-CG 3.33Å; I164-L168 PolarHBondContact O-N 2.93Å
165E92.5Very high89.5Confident66 Ų6650.6 Ų50.631%0.30825%0.247SC..Hα-helixtrans-59.8-46.4179.2-74.8169.5-169.300112.3V109 L161 G162 L163 T167 L168 I169V109-E165 HydrophobicContact CG2-CB 3.7Å; V109-E165 WeakPolarHBondContact CG2-OE2 3.33Å; L161-E165 WeakPolarHBondContact O-CB 3.3Å; L161-E165 VanDerWaalsContact O-CG 3.28Å; L161-E165 WeakPolarHBondContact O-CG 3.49Å; L161-E165 PolarHBondContact O-N 3.33Å; G162-E165 PolarHBondContact O-N 3.3Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-E165 PolarHBondContact O-N 2.88Å; E165-T167 PolarHBondContact O-N 3.2Å; E165-L168 PolarHBondContact O-N 2.93Å; E165-I169 WeakPolarHBondContact O-CB 3.23Å; E165-I169 WeakPolarHBondContact O-CD1 3.45Å; E165-I169 WeakPolarHBondContact O-CG1 3.31Å; E165-I169 PolarHBondContact O-N 3.48Å
166I91.2Very high89.7Confident2 Ų252 Ų521%0.0126%0.255CS..Hα-helixtrans-63.6-33.9178.3-165.562000112R106 V109 G162 L163 I164 T170R106-I166 HydrophobicContact CG-CD1 3.99Å; V109-I166 HydrophobicContact CG1-CB 4.2Å; G162-I166 PolarHBondContact O-N 3.3Å; L163-I166 WeakPolarHBondContact O-CG2 3.49Å; L163-I166 PolarHBondContact O-N 3.12Å; I164-I166 PolarHBondContact O-N 2.86Å; I166-T170 WeakPolarHBondContact O-CB 3.49Å; I166-T170 PolarHBondContact O-N 3.21Å; I166-T170 PolarHBondContact O-OG1 3.07Å
167T90.8Very high89.9Confident17 Ų1748.5 Ų48.510%0.10424%0.239CC..Hα-helixtrans-67-44.6175-60.10000111.1Y9 M12 L163 I164 E165 T170 G171Y9-T167 PolarHBondContact OH-OG1 3.08Å; M12-T167 HydrophobicContact CE-CG2 4.02Å; L163-T167 PolarHBondContact O-N 2.86Å; L163-T167 VanDerWaalsContact O-N 3.16Å; L163-T167 PolarHBondContact O-OG1 2.98Å; L163-T167 VanDerWaalsContact O-OG1 3.11Å; I164-T167 WeakPolarHBondContact O-CB 3.37Å; I164-T167 PolarHBondContact O-N 3.39Å; E165-T167 PolarHBondContact O-N 3.2Å; T167-T170 WeakPolarHBondContact O-CB 3.21Å; T167-T170 PolarHBondContact O-N 3.03Å; T167-G171 PolarHBondContact O-N 3.42Å
168L93.1Very high89.9Confident111 Ų11145.3 Ų45.358%0.58123%0.231SC*.Hα-helixtrans-63.4-43.8176-68.9173.3000112I164 E165 T170 G171 L172I164-L168 HydrophobicContact CG2-CD1 3.99Å; I164-L168 HydrophobicContact CG2-CG 4.39Å; I164-L168 WeakPolarHBondContact O-CG 3.33Å; I164-L168 PolarHBondContact O-N 2.93Å; E165-L168 PolarHBondContact O-N 2.93Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.25Å; L168-G171 PolarHBondContact O-N 3.29Å; L168-G171 VanDerWaalsContact O-N 3.13Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 3Å
169I93.2Very high89.9Confident18 Ų1843.9 Ų43.99%0.09223%0.227CC..Hα-helixtrans-58.5-45.4174.9-69161.8000109.9F102 A105 R106 V109 E165 G171 L172 E173F102-I169 HydrophobicContact CD1-CG2 4.31Å; A105-I169 HydrophobicContact CB-CD1 3.62Å; A105-I169 HydrophobicContact CB-CG1 4.04Å; R106-I169 HydrophobicContact CG-CG2 4.3Å; V109-I169 HydrophobicContact CG2-CD1 3.72Å; E165-I169 WeakPolarHBondContact O-CB 3.23Å; E165-I169 WeakPolarHBondContact O-CD1 3.45Å; E165-I169 WeakPolarHBondContact O-CG1 3.31Å; E165-I169 PolarHBondContact O-N 3.48Å; I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.34Å; I169-L172 PolarHBondContact O-N 3.11Å; I169-E173 HydrophobicContact CG2-CG 4.43Å; I169-E173 VanDerWaalsContact CG2-OE1 3.26Å; I169-E173 WeakPolarHBondContact CG2-OE1 3.38Å; I169-E173 VanDerWaalsContact O-CG 3.29Å; I169-E173 WeakPolarHBondContact O-CG 3.44Å; I169-E173 PolarHBondContact O-N 3.32Å
170T92.1Very high89.7Confident0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-60.1-40.5176.6-57.70000111.2Q17 W20 I166 T167 L168 E173 L174Q17-T170 PolarHBondContact NE2-OG1 3.19Å; W20-T170 HydrophobicContact CB-CG2 3.7Å; W20-T170 HydrophobicContact CG-CG2 3.77Å; I166-T170 WeakPolarHBondContact O-CB 3.49Å; I166-T170 PolarHBondContact O-N 3.21Å; I166-T170 PolarHBondContact O-OG1 3.07Å; T167-T170 WeakPolarHBondContact O-CB 3.21Å; T167-T170 PolarHBondContact O-N 3.03Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 3.25Å; T170-E173 PolarHBondContact O-N 3.49Å; T170-L174 WeakPolarHBondContact O-CB 3.42Å; T170-L174 WeakPolarHBondContact O-CG 3.43Å; T170-L174 PolarHBondContact O-N 3.11Å
171G91.9Very high89.5Confident36 Ų3647 Ų4737%0.37124%0.239SC..Hα-helixtrans-62.3-43174.300000113.3T167 L168 I169 L174 R175T167-G171 PolarHBondContact O-N 3.42Å; L168-G171 PolarHBondContact O-N 3.29Å; L168-G171 VanDerWaalsContact O-N 3.13Å; I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.34Å; G171-L174 WeakPolarHBondContact O-CB 3.31Å; G171-L174 PolarHBondContact O-N 3.38Å; G171-R175 PolarHBondContact O-N 2.98Å
172L92.8Very high89Confident108 Ų10847.7 Ų47.757%0.56524%0.24SC*.Hα-helixtrans-66.3-37.1175.8-68.7173.1000112.4F102 L168 I169 R175 T176F102-L172 HydrophobicContact CE1-CB 4.05Å; L168-L172 WeakPolarHBondContact O-CG 3.33Å; L168-L172 PolarHBondContact O-N 3Å; I169-L172 PolarHBondContact O-N 3.11Å; L172-R175 PolarHBondContact O-N 3.31Å; L172-T176 WeakPolarHBondContact O-CB 3.44Å; L172-T176 PolarHBondContact O-N 3.16Å; L172-T176 PolarHBondContact O-OG1 3.44Å
173E92Very high88.6Confident1 Ų153.8 Ų53.81%0.00527%0.268CS..Hα-helixtrans-63.9-45.3174.1-71.7167.9-174.500111.3W20 I92 F96 F102 R106 I169 T170 T176 C177W20-E173 PolarHBondContact NE1-OE2 3.19Å; I92-E173 VanDerWaalsContact CD1-CD 3.48Å; I92-E173 WeakPolarHBondContact CD1-OE1 3.48Å; F96-E173 HydrophobicContact CE1-CB 4.45Å; F96-E173 WeakPolarHBondContact CE1-O 3.44Å; F96-E173 HydrophobicContact CZ-CB 4.48Å; F102-E173 HydrophobicContact CD1-CG 3.5Å; F102-E173 VanDerWaalsContact CD1-CG 3.5Å; F102-E173 HydrophobicContact CD2-CG 4.2Å; F102-E173 HydrophobicContact CE1-CB 4.44Å; F102-E173 HydrophobicContact CE1-CG 3.55Å; F102-E173 HydrophobicContact CE2-CG 4.23Å; F102-E173 HydrophobicContact CG-CG 3.85Å; F102-E173 HydrophobicContact CZ-CG 3.93Å; R106-E173 IonicContact CZ-OE1 3.32Å; R106-E173 IonicContact CZ-OE2 3.77Å; R106-E173 IonicContact NE-OE1 3.1Å; R106-E173 PolarHBondContact NE-OE1 3.28Å; R106-E173 IonicContact NE-OE2 2.75Å; R106-E173 IonicContact NH2-OE1 3.95Å; R106-E173 PolarHBondContact NH2-OE1 3.04Å; R106-E173 VanDerWaalsContact NH2-OE1 3.1Å; R106-E173 IonicContact NH2-OE2 2.8Å; R106-E173 PolarHBondContact NH2-OE2 3.25Å; I169-E173 HydrophobicContact CG2-CG 4.43Å; I169-E173 VanDerWaalsContact CG2-OE1 3.26Å; I169-E173 WeakPolarHBondContact CG2-OE1 3.38Å; I169-E173 VanDerWaalsContact O-CG 3.29Å; I169-E173 WeakPolarHBondContact O-CG 3.44Å; I169-E173 PolarHBondContact O-N 3.32Å; T170-E173 PolarHBondContact O-N 3.49Å; E173-T176 PolarHBondContact O-N 3.43Å; E173-C177 WeakPolarHBondContact O-CB 3.37Å; E173-C177 PolarHBondContact O-N 3.5Å
174L90.2Very high87.9Confident30 Ų3057.4 Ų57.416%0.15729%0.287CS..Hα-helixtrans-56.3-50.7174.1-82.8171.4000111F19 W20 M23 T170 G171 T176 C177 E178F19-L174 HydrophobicContact CB-CD1 4.24Å; W20-L174 HydrophobicContact CB-CD1 4.5Å; W20-L174 HydrophobicContact CB-CD2 4.27Å; W20-L174 HydrophobicContact CB-CG 4.34Å; M23-L174 HydrophobicContact CB-CD2 3.91Å; M23-L174 HydrophobicContact CG-CD2 3.83Å; T170-L174 WeakPolarHBondContact O-CB 3.42Å; T170-L174 WeakPolarHBondContact O-CG 3.43Å; T170-L174 PolarHBondContact O-N 3.11Å; G171-L174 WeakPolarHBondContact O-CB 3.31Å; G171-L174 PolarHBondContact O-N 3.38Å; L174-T176 VanDerWaalsContact C-N 3.31Å; L174-T176 PolarHBondContact O-N 2.82Å; L174-C177 WeakPolarHBondContact O-CA 3.17Å; L174-C177 VanDerWaalsContact O-CB 3.29Å; L174-C177 WeakPolarHBondContact O-CB 3.46Å; L174-C177 PolarHBondContact O-N 3.3Å; L174-E178 PolarHBondContact O-N 2.9Å
175R90.3Very high87.2Confident131 Ų13157.8 Ų57.849%0.49429%0.29SS..Hα-helixtrans-60.2-41.4178.5-175.958.1177.6162.15.3112.5G171 L172 C177 E178 N179G171-R175 PolarHBondContact O-N 2.98Å; L172-R175 PolarHBondContact O-N 3.31Å; R175-C177 VanDerWaalsContact C-N 3.27Å; R175-C177 PolarHBondContact O-N 2.92Å; R175-E178 IonicContact NH1-OE2 3.29Å; R175-E178 PolarHBondContact NH1-OE2 3.45Å; R175-E178 PolarHBondContact O-N 2.91Å; R175-N179 VanDerWaalsContact O-CG 3.32Å; R175-N179 PolarHBondContact O-N 3.27Å; R175-N179 PolarHBondContact O-OD1 3.02Å
176T89.4Confident86.3Confident34 Ų3462.6 Ų62.621%0.20931%0.309CS..Hα-helixtrans-64.8-35176.5-58.20000111.5F96 F102 L172 E173 L174 Q180F96-T176 HydrophobicContact CD1-CG2 3.97Å; F96-T176 HydrophobicContact CE1-CG2 4.12Å; F102-T176 HydrophobicContact CE2-CG2 4.3Å; F102-T176 HydrophobicContact CZ-CG2 4.5Å; L172-T176 WeakPolarHBondContact O-CB 3.44Å; L172-T176 PolarHBondContact O-N 3.16Å; L172-T176 PolarHBondContact O-OG1 3.44Å; E173-T176 PolarHBondContact O-N 3.43Å; L174-T176 VanDerWaalsContact C-N 3.31Å; L174-T176 PolarHBondContact O-N 2.82Å; T176-Q180 WeakPolarHBondContact O-CG 3.37Å; T176-Q180 PolarHBondContact O-N 3.16Å
177C86.2Confident84.9Confident8 Ų868.2 Ų68.25%0.05434%0.344CS..Hα-helixtrans-68.2-40.2177.4-157.20000111.9K27 F96 E173 L174 R175 Y181K27-C177 VanDerWaalsContact CD-SG 3.57Å; F96-C177 HydrophobicContact CE1-CB 4.32Å; F96-C177 HydrophobicContact CZ-CB 4.13Å; E173-C177 WeakPolarHBondContact O-CB 3.37Å; E173-C177 PolarHBondContact O-N 3.5Å; L174-C177 WeakPolarHBondContact O-CA 3.17Å; L174-C177 VanDerWaalsContact O-CB 3.29Å; L174-C177 WeakPolarHBondContact O-CB 3.46Å; L174-C177 PolarHBondContact O-N 3.3Å; R175-C177 VanDerWaalsContact C-N 3.27Å; R175-C177 PolarHBondContact O-N 2.92Å; C177-Y181 PolarHBondContact O-N 3.45Å; C177-Y181 VanDerWaalsContact O-N 3.13Å
178E85.5Confident83Confident84 Ų8475.6 Ų75.639%0.39339%0.388SS..Hα-helixtrans-63.2-50.3174.2-70.6178.7161.900111.9M23 L174 R175 Q180 Y181 E182M23-E178 HydrophobicContact CE-CG 3.92Å; L174-E178 PolarHBondContact O-N 2.9Å; R175-E178 IonicContact NH1-OE2 3.29Å; R175-E178 PolarHBondContact NH1-OE2 3.45Å; R175-E178 PolarHBondContact O-N 2.91Å; E178-Q180 VanDerWaalsContact C-N 3.28Å; E178-Q180 PolarHBondContact O-N 3.15Å; E178-Y181 WeakPolarHBondContact O-CA 3.41Å; E178-Y181 WeakPolarHBondContact O-CB 3.18Å; E178-Y181 PolarHBondContact O-N 3.03Å; E178-E182 PolarHBondContact O-N 3.45Å
179N86.4Confident82.5Confident62 Ų6273.8 Ų73.833%0.33238%0.379SS..Hα-helixtrans-57.3-42.9-179.8-68.7-7.6000111.6R175 Y181 E182 E183R175-N179 VanDerWaalsContact O-CG 3.32Å; R175-N179 PolarHBondContact O-N 3.27Å; R175-N179 PolarHBondContact O-OD1 3.02Å; N179-Y181 VanDerWaalsContact C-N 3.31Å; N179-Y181 PolarHBondContact O-N 3.1Å; N179-E182 PolarHBondContact O-N 3.34Å; N179-E183 WeakPolarHBondContact O-CG 3.18Å; N179-E183 PolarHBondContact O-N 2.95Å
180Q83Confident81.9Confident39 Ų3976.7 Ų76.718%0.18239%0.394CS..Hα-helixtrans-66.5-32.5176.5-74.3174-2.700112.8T176 E178 I184T176-Q180 WeakPolarHBondContact O-CG 3.37Å; T176-Q180 PolarHBondContact O-N 3.16Å; E178-Q180 VanDerWaalsContact C-N 3.28Å; E178-Q180 PolarHBondContact O-N 3.15Å; Q180-I184 WeakPolarHBondContact O-CD1 3.29Å; Q180-I184 VanDerWaalsContact O-CG1 3.28Å; Q180-I184 WeakPolarHBondContact O-CG1 3.19Å; Q180-I184 PolarHBondContact O-N 3.09Å
181Y80.2Confident81.4Confident74 Ų7481 Ų8129%0.2942%0.416SS..Hα-helixtrans-71-39.2176.2-170.6-105.4000111.7K26 C177 E178 N179 I184 N185K26-Y181 PolarHBondContact NZ-OH 3.48Å; K26-Y181 VanDerWaalsContact NZ-OH 3.15Å; C177-Y181 PolarHBondContact O-N 3.45Å; C177-Y181 VanDerWaalsContact O-N 3.13Å; E178-Y181 WeakPolarHBondContact O-CA 3.41Å; E178-Y181 WeakPolarHBondContact O-CB 3.18Å; E178-Y181 PolarHBondContact O-N 3.03Å; N179-Y181 VanDerWaalsContact C-N 3.31Å; N179-Y181 PolarHBondContact O-N 3.1Å; Y181-I184 PolarHBondContact O-N 3.2Å; Y181-N185 WeakPolarHBondContact CD1-ND2 3.21Å; Y181-N185 WeakPolarHBondContact CE1-ND2 3.5Å; Y181-N185 PolarHBondContact O-N 3.25Å; Y181-N185 VanDerWaalsContact O-N 3.15Å; Y181-N185 PolarHBondContact O-ND2 3.05Å
182E80.5Confident80.7Confident95 Ų9583.6 Ų83.644%0.44442%0.418SS..Hα-helixtrans-64.7-40.4173.4-71.6-175.8-174.400112.4E178 N179 N185 K186E178-E182 PolarHBondContact O-N 3.45Å; N179-E182 PolarHBondContact O-N 3.34Å; E182-N185 PolarHBondContact O-N 2.57Å; E182-K186 WeakPolarHBondContact O-CG 3.33Å; E182-K186 PolarHBondContact O-N 3.07Å; E182-K186 VanDerWaalsContact O-N 3.08Å
183E80.9Confident80Confident128 Ų12882.1 Ų82.160%0.59841%0.409SS*.Hα-helixtrans-59.4-45.9175.3-77.1174.4-179.600111.6N179 N185 K186 T187N179-E183 WeakPolarHBondContact O-CG 3.18Å; N179-E183 PolarHBondContact O-N 2.95Å; E183-N185 PolarHBondContact O-N 3.49Å; E183-K186 PolarHBondContact O-N 3.25Å; E183-T187 PolarHBondContact O-N 2.76Å; E183-T187 PolarHBondContact O-OG1 3.07Å
184I74.1Confident79.2Confident89 Ų8987.5 Ų87.546%0.45644%0.436SS..Hα-helixtrans-61.6-45.2178.4-67.5164.6000110.9Q180 Y181 K186 T187Q180-I184 WeakPolarHBondContact O-CD1 3.29Å; Q180-I184 VanDerWaalsContact O-CG1 3.28Å; Q180-I184 WeakPolarHBondContact O-CG1 3.19Å; Q180-I184 PolarHBondContact O-N 3.09Å; Y181-I184 PolarHBondContact O-N 3.2Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 3.03Å; I184-T187 PolarHBondContact O-N 3.4Å; I184-T187 PolarHBondContact O-OG1 3.43Å
185N74.2Confident78.4Confident81 Ų8191.6 Ų91.643%0.43346%0.456SS..Hα-helixtrans-71-20.9-178.5-65-25.9000113.7Y181 E182 E183 T187Y181-N185 WeakPolarHBondContact CD1-ND2 3.21Å; Y181-N185 WeakPolarHBondContact CE1-ND2 3.5Å; Y181-N185 PolarHBondContact O-N 3.25Å; Y181-N185 VanDerWaalsContact O-N 3.15Å; Y181-N185 PolarHBondContact O-ND2 3.05Å; E182-N185 PolarHBondContact O-N 2.57Å; E183-N185 PolarHBondContact O-N 3.49Å; N185-T187 VanDerWaalsContact C-N 3.33Å
186K73.6Confident77.5Confident167 Ų16788.6 Ų88.673%0.72645%0.453SS*.Hα-helixtrans-79.6-18.3173.6-74.5174.2-176.5171.50112.9E182 E183 I184E182-K186 WeakPolarHBondContact O-CG 3.33Å; E182-K186 PolarHBondContact O-N 3.07Å; E182-K186 VanDerWaalsContact O-N 3.08Å; E183-K186 PolarHBondContact O-N 3.25Å; I184-K186 VanDerWaalsContact C-N 3.28Å; I184-K186 PolarHBondContact O-N 3.03Å
187T62.1Low76.5Confident119 Ų11993.2 Ų93.273%0.7347%0.473SS*.  trans-95.7-0.8-179.352.60000114.2E183 I184 N185E183-T187 PolarHBondContact O-N 2.76Å; E183-T187 PolarHBondContact O-OG1 3.07Å; I184-T187 PolarHBondContact O-N 3.4Å; I184-T187 PolarHBondContact O-OG1 3.43Å; N185-T187 VanDerWaalsContact C-N 3.33Å
188V51.3Low75.6Confident172 Ų172100.9 Ų100.9100%1.04251%0.512SS*.  trans-1100175.1-179.20000108.7

Retrieved 188 of 188 residues in 234.6 ms (Link to these results)

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