A0A3Q0KNW8_SCHMA Loading...

Putative muscarinic acetylcholine (GAR) receptor

AlphaFold DB , UniProt , Accession A0A3Q0KNW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 938 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
1M35.9Very low47.8Very low100 Ų10089.7 Ų89.749%0.49344%0.436SS..  0-52.10-176.6178.376.400110.4V3 K4 M5 K261 W265M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 3.27Å; M1-K4 PolarHBondContact O-N 3.02Å; M1-M5 PolarHBondContact O-N 3.31Å; M1-M5 VanDerWaalsContact O-N 3.12Å; M1-K261 HydrophobicContact CB-CD 4.31Å; M1-K261 HydrophobicContact CG-CD 4.4Å; M1-K261 HydrophobicContact SD-CB 4.2Å; M1-K261 HydrophobicContact SD-CD 3.59Å; M1-K261 VanDerWaalsContact SD-CD 3.59Å; M1-K261 HydrophobicContact SD-CG 3.53Å; M1-K261 VanDerWaalsContact SD-CG 3.53Å; M1-W265 HydrophobicContact CE-CB 4.17Å; M1-W265 HydrophobicContact CE-CG 4.37Å
2Y33.4Very low48.8Very low184 Ų18484.4 Ų84.472%0.72241%0.411SS*.Hα-helixtrans-37-61.7164.2-99.7-77.2000110.5K4 M5 N6Y2-K4 PolarHBondContact O-N 3.41Å; Y2-M5 CarbonylContact O-C 3.6Å; Y2-M5 PolarHBondContact O-N 2.92Å; Y2-N6 WeakPolarHBondContact CD1-OD1 3.44Å; Y2-N6 VanDerWaalsContact O-CB 3.26Å; Y2-N6 WeakPolarHBondContact O-CB 3.47Å; Y2-N6 VanDerWaalsContact O-CG 3.28Å; Y2-N6 PolarHBondContact O-N 3.2Å; Y2-N6 PolarHBondContact O-OD1 3Å
3V37.2Very low49.9Very low103 Ų10386.2 Ų86.262%0.62442%0.418SS*.Hα-helixtrans-41-35.3173.4-172.40000116.3M1 L7M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 PolarHBondContact O-N 3.27Å; V3-L7 HydrophobicContact CG1-CD1 4.29Å; V3-L7 WeakPolarHBondContact O-CB 3.48Å; V3-L7 VanDerWaalsContact O-CD1 3.23Å; V3-L7 WeakPolarHBondContact O-CD1 3.45Å; V3-L7 PolarHBondContact O-N 3.27Å
4K49.5Very low50.7Low158 Ų15887.6 Ų87.669%0.68743%0.429SS*.Hα-helixtrans-93.1-23.1-179.1-66.2-162.5176-168.90115.2M1 Y2M1-K4 PolarHBondContact O-N 3.02Å; Y2-K4 PolarHBondContact O-N 3.41Å
5M52.5Low51.5Low21 Ų2182.8 Ų82.810%0.10341%0.406CS..Hα-helixtrans-84-35.5166.5-70.9-89.179.400110.1M1 Y2 L7 L8 F9 Y262 W265M1-M5 PolarHBondContact O-N 3.31Å; M1-M5 VanDerWaalsContact O-N 3.12Å; Y2-M5 CarbonylContact O-C 3.6Å; Y2-M5 PolarHBondContact O-N 2.92Å; M5-L7 VanDerWaalsContact C-N 3.33Å; M5-L8 HydrophobicContact CE-CB 4.28Å; M5-L8 HydrophobicContact CE-CD2 3.68Å; M5-L8 CarbonylContact O-C 3.57Å; M5-L8 WeakPolarHBondContact O-CA 3.32Å; M5-L8 WeakPolarHBondContact O-CB 3.44Å; M5-L8 PolarHBondContact O-N 2.83Å; M5-F9 WeakPolarHBondContact O-CD2 3.46Å; M5-F9 PolarHBondContact O-N 2.94Å; M5-Y262 HydrophobicContact SD-CE2 4.39Å; M5-W265 HydrophobicContact SD-CD2 4.22Å; M5-W265 HydrophobicContact SD-CE3 4.22Å; M5-W265 HydrophobicContact SD-CH2 3.88Å; M5-W265 HydrophobicContact SD-CZ2 3.86Å; M5-W265 HydrophobicContact SD-CZ3 4.07Å
6N49.9Very low52.3Low73 Ų7379.9 Ų79.939%0.3939%0.392SS..Hα-helixtrans-59.6-41.1165.1-65.831.5000110.3Y2 L8 F9 C10Y2-N6 WeakPolarHBondContact CD1-OD1 3.44Å; Y2-N6 VanDerWaalsContact O-CB 3.26Å; Y2-N6 WeakPolarHBondContact O-CB 3.47Å; Y2-N6 VanDerWaalsContact O-CG 3.28Å; Y2-N6 PolarHBondContact O-N 3.2Å; Y2-N6 PolarHBondContact O-OD1 3Å; N6-L8 PolarHBondContact O-N 3.46Å; N6-F9 PolarHBondContact O-N 3.14Å; N6-C10 WeakPolarHBondContact O-CA 3.43Å; N6-C10 WeakPolarHBondContact O-CB 3.42Å; N6-C10 PolarHBondContact O-N 3.45Å; N6-C10 PolarHBondContact O-SG 3.45Å
7L50.2Low53.1Low119 Ų11977.9 Ų77.962%0.62339%0.388SS*.Hα-helixtrans-60.3-28.7171.9-115.483000113.1V3 M5 F11V3-L7 HydrophobicContact CG1-CD1 4.29Å; V3-L7 WeakPolarHBondContact O-CB 3.48Å; V3-L7 VanDerWaalsContact O-CD1 3.23Å; V3-L7 WeakPolarHBondContact O-CD1 3.45Å; V3-L7 PolarHBondContact O-N 3.27Å; M5-L7 VanDerWaalsContact C-N 3.33Å; L7-F11 WeakPolarHBondContact O-CB 3.5Å; L7-F11 PolarHBondContact O-N 3.42Å
8L52.9Low53.6Low28 Ų2876.6 Ų76.615%0.14739%0.387CS..Hα-helixtrans-77.1-46.9173172.568.3000111.8M5 N6 F11 L12 I250M5-L8 HydrophobicContact CE-CB 4.28Å; M5-L8 HydrophobicContact CE-CD2 3.68Å; M5-L8 CarbonylContact O-C 3.57Å; M5-L8 WeakPolarHBondContact O-CA 3.32Å; M5-L8 WeakPolarHBondContact O-CB 3.44Å; M5-L8 PolarHBondContact O-N 2.83Å; N6-L8 PolarHBondContact O-N 3.46Å; L8-F11 WeakPolarHBondContact O-CB 3.45Å; L8-F11 PolarHBondContact O-N 3.37Å; L8-L12 HydrophobicContact CD1-CD1 4.05Å; L8-L12 HydrophobicContact CD1-CG 4.19Å; L8-L12 HydrophobicContact CG-CD1 4.09Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 3.09Å; L8-I250 HydrophobicContact CD1-CD1 3.47Å; L8-I250 VanDerWaalsContact CD1-CD1 3.47Å; L8-I250 HydrophobicContact CD1-CG1 4.27Å; L8-I250 HydrophobicContact CD1-CG2 4.3Å; L8-I250 HydrophobicContact CD2-CD1 4.45Å; L8-I250 HydrophobicContact CD2-CG2 3.66Å
9F56.5Low54.1Low78 Ų7872.8 Ų72.834%0.34237%0.368SS..Hα-helixtrans-61.4-45.4176.3-87.1-77.9000110.4M5 N6 F11 L12 Q13 L274M5-F9 WeakPolarHBondContact O-CD2 3.46Å; M5-F9 PolarHBondContact O-N 2.94Å; N6-F9 PolarHBondContact O-N 3.14Å; F9-F11 VanDerWaalsContact C-N 3.3Å; F9-F11 PolarHBondContact O-N 3Å; F9-L12 PolarHBondContact O-N 2.97Å; F9-Q13 WeakPolarHBondContact O-CA 3.32Å; F9-Q13 WeakPolarHBondContact O-CB 3.29Å; F9-Q13 PolarHBondContact O-N 2.99Å; F9-L274 HydrophobicContact CE1-CD2 4.2Å; F9-L274 HydrophobicContact CZ-CD2 3.81Å
10C46.7Very low54.7Low55 Ų5573.6 Ų73.637%0.37237%0.372SS..Hα-helixtrans-63.1-27.4168.3-62.90000113N6 N14N6-C10 WeakPolarHBondContact O-CA 3.43Å; N6-C10 WeakPolarHBondContact O-CB 3.42Å; N6-C10 PolarHBondContact O-N 3.45Å; N6-C10 PolarHBondContact O-SG 3.45Å; C10-N14 WeakPolarHBondContact O-CA 3.38Å; C10-N14 WeakPolarHBondContact O-CB 3.39Å; C10-N14 PolarHBondContact O-N 2.89Å; C10-N14 PolarHBondContact O-OD1 3.32Å
11F60.9Low55.2Low68 Ų6874.6 Ų74.630%0.29838%0.378SS..Hα-helixtrans-73.6-46.9173.4-174.3-102.1000111.4L7 L8 F9 Q13 N14 I15 V329 V333L7-F11 WeakPolarHBondContact O-CB 3.5Å; L7-F11 PolarHBondContact O-N 3.42Å; L8-F11 WeakPolarHBondContact O-CB 3.45Å; L8-F11 PolarHBondContact O-N 3.37Å; F9-F11 VanDerWaalsContact C-N 3.3Å; F9-F11 PolarHBondContact O-N 3Å; F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 3.05Å; F11-N14 PolarHBondContact O-N 3.25Å; F11-I15 HydrophobicContact CD1-CD1 4.06Å; F11-I15 HydrophobicContact CE1-CD1 3.34Å; F11-I15 HydrophobicContact CE1-CG1 4.21Å; F11-I15 HydrophobicContact CZ-CD1 3.61Å; F11-I15 HydrophobicContact CZ-CG1 4.18Å; F11-I15 PolarHBondContact O-N 2.88Å; F11-V329 HydrophobicContact CZ-CG1 4.03Å; F11-V333 HydrophobicContact CE1-CB 4.37Å; F11-V333 HydrophobicContact CE1-CG1 4.12Å; F11-V333 HydrophobicContact CE1-CG2 3.6Å; F11-V333 HydrophobicContact CE2-CG2 4.32Å; F11-V333 HydrophobicContact CZ-CG2 3.36Å
12L59.6Low56.6Low26 Ų2672.4 Ų72.414%0.13637%0.368CS..Hα-helixtrans-65.9-35.5174.3-64.9168.6000111.6L8 F9 L16 L246 I247L8-L12 HydrophobicContact CD1-CD1 4.05Å; L8-L12 HydrophobicContact CD1-CG 4.19Å; L8-L12 HydrophobicContact CG-CD1 4.09Å; L8-L12 WeakPolarHBondContact O-CG 3.32Å; L8-L12 PolarHBondContact O-N 3.09Å; F9-L12 PolarHBondContact O-N 2.97Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.3Å; L12-L246 HydrophobicContact CD2-CD2 4.14Å; L12-I247 HydrophobicContact CD1-CD1 3.85Å
13Q63.2Low58.1Low107 Ų10765.2 Ų65.250%0.534%0.341SS..Hα-helixtrans-76-29.7174.8-177.1-178.3-4.100111.6F9 F11 S17F9-Q13 WeakPolarHBondContact O-CA 3.32Å; F9-Q13 WeakPolarHBondContact O-CB 3.29Å; F9-Q13 PolarHBondContact O-N 2.99Å; F11-Q13 VanDerWaalsContact C-N 3.32Å; F11-Q13 PolarHBondContact O-N 3.05Å; Q13-S17 WeakPolarHBondContact O-CA 3.31Å; Q13-S17 WeakPolarHBondContact O-CB 3.49Å; Q13-S17 PolarHBondContact O-N 2.93Å; Q13-S17 PolarHBondContact O-OG 3.03Å; Q13-S17 VanDerWaalsContact O-OG 3.06Å
14N61.9Low59.5Low107 Ų10766.9 Ų66.957%0.57234%0.337SS*.Hα-helixtrans-76.9-32.7172-73.76.3000111C10 F11 C18C10-N14 WeakPolarHBondContact O-CA 3.38Å; C10-N14 WeakPolarHBondContact O-CB 3.39Å; C10-N14 PolarHBondContact O-N 2.89Å; C10-N14 PolarHBondContact O-OD1 3.32Å; F11-N14 PolarHBondContact O-N 3.25Å; N14-C18 WeakPolarHBondContact O-CB 3.4Å; N14-C18 PolarHBondContact O-N 2.89Å
15I61.7Low60.1Low15 Ų1564.1 Ų64.18%0.07733%0.327CS..Hα-helixtrans-64.6-49.3166.4-73.4177.7000109.6F11 S17 C18 I19 V329 T330F11-I15 HydrophobicContact CD1-CD1 4.06Å; F11-I15 HydrophobicContact CE1-CD1 3.34Å; F11-I15 HydrophobicContact CE1-CG1 4.21Å; F11-I15 HydrophobicContact CZ-CD1 3.61Å; F11-I15 HydrophobicContact CZ-CG1 4.18Å; F11-I15 PolarHBondContact O-N 2.88Å; I15-S17 PolarHBondContact O-N 3.44Å; I15-C18 PolarHBondContact O-N 2.99Å; I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.47Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.06Å; I15-V329 HydrophobicContact CD1-CG1 4.19Å; I15-T330 HydrophobicContact CD1-CG2 3.83Å
16L64.8Low60.4Low36 Ų3666.1 Ų66.119%0.18834%0.335CS..Hα-helixtrans-60.6-44.9178179.563.2000111.9L12 I19 I20 I281L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.3Å; L16-I19 PolarHBondContact O-N 2.87Å; L16-I20 HydrophobicContact CD1-CD1 3.7Å; L16-I20 HydrophobicContact CD1-CG1 4.07Å; L16-I20 HydrophobicContact CD2-CD1 4.35Å; L16-I20 HydrophobicContact CG-CD1 3.72Å; L16-I20 HydrophobicContact CG-CG1 4.35Å; L16-I20 VanDerWaalsContact O-CB 3.25Å; L16-I20 WeakPolarHBondContact O-CB 3.04Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.34Å; L16-I281 HydrophobicContact CB-CD1 4.44Å; L16-I281 HydrophobicContact CD1-CB 4.34Å; L16-I281 HydrophobicContact CD1-CD1 4.14Å; L16-I281 HydrophobicContact CD1-CG1 3.85Å; L16-I281 HydrophobicContact CD1-CG2 3.78Å; L16-I281 HydrophobicContact CD2-CD1 3.84Å; L16-I281 HydrophobicContact CD2-CG1 4.07Å; L16-I281 HydrophobicContact CG-CD1 4.37Å
17S65.2Low60.9Low46 Ų4665.4 Ų65.432%0.32233%0.327SS..Hα-helixtrans-71.6-29.8176.3-720000111.8Q13 I15 L21Q13-S17 WeakPolarHBondContact O-CA 3.31Å; Q13-S17 WeakPolarHBondContact O-CB 3.49Å; Q13-S17 PolarHBondContact O-N 2.93Å; Q13-S17 PolarHBondContact O-OG 3.03Å; Q13-S17 VanDerWaalsContact O-OG 3.06Å; I15-S17 PolarHBondContact O-N 3.44Å; S17-L21 WeakPolarHBondContact O-CA 3.37Å; S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CD1 3.47Å; S17-L21 WeakPolarHBondContact O-CG 3.32Å; S17-L21 PolarHBondContact O-N 3.4Å
18C62.4Low61.2Low54 Ų5461.3 Ų61.337%0.36531%0.307SS..Hα-helixtrans-66.2-46.7169.7-171.90000110.2N14 I15 L21 L22N14-C18 WeakPolarHBondContact O-CB 3.4Å; N14-C18 PolarHBondContact O-N 2.89Å; I15-C18 PolarHBondContact O-N 2.99Å; C18-L21 PolarHBondContact O-N 3.39Å; C18-L22 VanDerWaalsContact O-CB 3.28Å; C18-L22 WeakPolarHBondContact O-CB 3.4Å; C18-L22 WeakPolarHBondContact O-CD1 3.38Å; C18-L22 WeakPolarHBondContact O-CG 3.29Å; C18-L22 PolarHBondContact O-N 3.33Å
19I63.6Low61.3Low5 Ų564.3 Ų64.33%0.02633%0.326CS..Hα-helixtrans-64-45.5176.6-65.1165.5000111I15 L16 L22 H23 V285 F322I15-I19 HydrophobicContact CG2-CD1 3.71Å; I15-I19 HydrophobicContact CG2-CG1 4.47Å; I15-I19 VanDerWaalsContact O-CG1 3.29Å; I15-I19 WeakPolarHBondContact O-CG1 3.36Å; I15-I19 PolarHBondContact O-N 3.06Å; L16-I19 PolarHBondContact O-N 2.87Å; I19-L22 PolarHBondContact O-N 3.46Å; I19-H23 WeakPolarHBondContact O-CB 3.38Å; I19-H23 PolarHBondContact O-N 3.46Å; I19-V285 HydrophobicContact CG2-CB 4.35Å; I19-V285 HydrophobicContact CG2-CG1 3.73Å; I19-V285 HydrophobicContact CG2-CG2 3.6Å; I19-F322 HydrophobicContact CG2-CE2 4.11Å
20I66.9Low61.1Low88 Ų8863.2 Ų63.245%0.45132%0.321SS..Hα-helixtrans-67.4-35.8177.4-72176.1000111.4L16 Y24L16-I20 HydrophobicContact CD1-CD1 3.7Å; L16-I20 HydrophobicContact CD1-CG1 4.07Å; L16-I20 HydrophobicContact CD2-CD1 4.35Å; L16-I20 HydrophobicContact CG-CD1 3.72Å; L16-I20 HydrophobicContact CG-CG1 4.35Å; L16-I20 VanDerWaalsContact O-CB 3.25Å; L16-I20 WeakPolarHBondContact O-CB 3.04Å; L16-I20 VanDerWaalsContact O-CG1 3.24Å; L16-I20 WeakPolarHBondContact O-CG1 3.4Å; L16-I20 PolarHBondContact O-N 3.34Å; I20-Y24 WeakPolarHBondContact O-CA 3.44Å; I20-Y24 WeakPolarHBondContact O-CB 3.48Å; I20-Y24 PolarHBondContact O-N 2.83Å
21L65Low61.2Low96 Ų9662.8 Ų62.850%0.50332%0.319SS..Hα-helixtrans-72.4-44.9174.7-75.1167.5000111S17 C18 H23 Y24 E25S17-L21 WeakPolarHBondContact O-CA 3.37Å; S17-L21 WeakPolarHBondContact O-CB 3.48Å; S17-L21 WeakPolarHBondContact O-CD1 3.47Å; S17-L21 WeakPolarHBondContact O-CG 3.32Å; S17-L21 PolarHBondContact O-N 3.4Å; C18-L21 PolarHBondContact O-N 3.39Å; L21-H23 VanDerWaalsContact C-N 3.26Å; L21-H23 PolarHBondContact O-N 3.03Å; L21-Y24 PolarHBondContact O-N 3.31Å; L21-Y24 VanDerWaalsContact O-N 3.14Å; L21-E25 WeakPolarHBondContact O-CB 3.47Å; L21-E25 VanDerWaalsContact O-CG 3.23Å; L21-E25 WeakPolarHBondContact O-CG 3.27Å; L21-E25 PolarHBondContact O-N 2.81Å
22L64.8Low60.7Low54 Ų5467.4 Ų67.428%0.28334%0.341SS..Hα-helixtrans-55.7-45.4173-74.9166.8000110.9C18 I19 F26 V321C18-L22 VanDerWaalsContact O-CB 3.28Å; C18-L22 WeakPolarHBondContact O-CB 3.4Å; C18-L22 WeakPolarHBondContact O-CD1 3.38Å; C18-L22 WeakPolarHBondContact O-CG 3.29Å; C18-L22 PolarHBondContact O-N 3.33Å; I19-L22 PolarHBondContact O-N 3.46Å; L22-F26 WeakPolarHBondContact O-CB 3.33Å; L22-F26 PolarHBondContact O-N 2.84Å; L22-V321 HydrophobicContact CD1-CG1 3.82Å; L22-V321 HydrophobicContact CD2-CG1 3.76Å; L22-V321 HydrophobicContact CG-CG1 4.47Å
23H65.5Low60.2Low32 Ų3272.2 Ų72.215%0.14837%0.367CS..Hα-helixtrans-65.4-42.9175.4-169.6-80.2000111.7I19 L21 Y27 T288 T289I19-H23 WeakPolarHBondContact O-CB 3.38Å; I19-H23 PolarHBondContact O-N 3.46Å; L21-H23 VanDerWaalsContact C-N 3.26Å; L21-H23 PolarHBondContact O-N 3.03Å; H23-Y27 AromaticContact CE1-CE1 3.67Å; H23-Y27 AromaticContact CE1-CE2 3.36Å; H23-Y27 WeakPolarHBondContact CE1-CE2 3.3Å; H23-Y27 AromaticContact CE1-CZ 3.1Å; H23-Y27 PolarHBondContact CE1-OH 3.06Å; H23-Y27 AromaticContact CG-CE2 3.95Å; H23-Y27 AromaticContact ND1-CD2 3.83Å; H23-Y27 AromaticContact ND1-CE2 3.49Å; H23-Y27 WeakPolarHBondContact ND1-CE2 3.3Å; H23-Y27 AromaticContact ND1-CZ 3.66Å; H23-Y27 AromaticContact NE2-CE2 3.73Å; H23-Y27 AromaticContact NE2-CZ 3.64Å; H23-Y27 PolarHBondContact NE2-OH 3.48Å; H23-Y27 WeakPolarHBondContact O-CB 3.34Å; H23-Y27 WeakPolarHBondContact O-CD2 3.29Å; H23-Y27 PolarHBondContact O-N 2.79Å; H23-T288 PolarHBondContact CE1-OG1 3.46Å; H23-T288 PolarHBondContact NE2-OG1 3.3Å; H23-T289 PolarHBondContact CD2-OG1 2.92Å
24Y65.9Low59.3Low138 Ų13869.8 Ų69.854%0.54135%0.354SS..Hα-helixtrans-67-47.6178.6-179.4-101.5000112.4I20 L21 F26 Y27 T28I20-Y24 WeakPolarHBondContact O-CA 3.44Å; I20-Y24 WeakPolarHBondContact O-CB 3.48Å; I20-Y24 PolarHBondContact O-N 2.83Å; L21-Y24 PolarHBondContact O-N 3.31Å; L21-Y24 VanDerWaalsContact O-N 3.14Å; Y24-F26 VanDerWaalsContact C-N 3.34Å; Y24-F26 PolarHBondContact O-N 3Å; Y24-Y27 CarbonylContact O-C 3.52Å; Y24-Y27 WeakPolarHBondContact O-CA 3.37Å; Y24-Y27 WeakPolarHBondContact O-CB 3.35Å; Y24-Y27 PolarHBondContact O-N 3.36Å; Y24-Y27 VanDerWaalsContact O-N 3.08Å; Y24-T28 HydrophobicContact CD1-CG2 4.13Å; Y24-T28 HydrophobicContact CD2-CG2 4.36Å; Y24-T28 HydrophobicContact CE1-CG2 3.65Å; Y24-T28 HydrophobicContact CE2-CG2 3.9Å; Y24-T28 HydrophobicContact CG-CG2 4.46Å; Y24-T28 PolarHBondContact O-N 2.64Å; Y24-T28 PolarHBondContact O-OG1 2.69Å; Y24-T28 VanDerWaalsContact O-OG1 3.13Å
25E62.2Low58.5Low101 Ų10171.1 Ų71.147%0.47237%0.366SS..Hα-helixtrans-61.4-40.3175.7-65.5-65162.300111.2L21 Y27 T28 V29L21-E25 WeakPolarHBondContact O-CB 3.47Å; L21-E25 VanDerWaalsContact O-CG 3.23Å; L21-E25 WeakPolarHBondContact O-CG 3.27Å; L21-E25 PolarHBondContact O-N 2.81Å; E25-Y27 VanDerWaalsContact C-N 3.32Å; E25-Y27 PolarHBondContact O-N 3.2Å; E25-T28 WeakPolarHBondContact CA-OG1 3.33Å; E25-T28 PolarHBondContact O-N 3.19Å; E25-T28 PolarHBondContact O-OG1 3.36Å; E25-V29 VanDerWaalsContact O-CB 3.25Å; E25-V29 WeakPolarHBondContact O-CB 3.36Å; E25-V29 VanDerWaalsContact O-CG2 3.24Å; E25-V29 WeakPolarHBondContact O-CG2 3.41Å; E25-V29 PolarHBondContact O-N 3.17Å
26F58.5Low57.5Low62 Ų6275.1 Ų75.127%0.27240%0.401SS..Hα-helixtrans-62.3-40.6171.9-120.3-113.5000112.2L22 Y24 K30 W293 H297 D315 F318L22-F26 WeakPolarHBondContact O-CB 3.33Å; L22-F26 PolarHBondContact O-N 2.84Å; Y24-F26 VanDerWaalsContact C-N 3.34Å; Y24-F26 PolarHBondContact O-N 3Å; F26-K30 WeakPolarHBondContact O-CB 3.42Å; F26-K30 PolarHBondContact O-N 3.31Å; F26-W293 HydrophobicContact CD1-CH2 4.16Å; F26-W293 HydrophobicContact CD1-CZ3 4.12Å; F26-W293 AromaticContact CE1-CH2 3.62Å; F26-W293 HydrophobicContact CE1-CH2 3.62Å; F26-W293 HydrophobicContact CE1-CZ3 4.06Å; F26-H297 AromaticContact CE1-CE1 3.8Å; F26-H297 AromaticContact CE1-ND1 3.91Å; F26-D315 VanDerWaalsContact CZ-OD2 3.29Å; F26-D315 WeakPolarHBondContact CZ-OD2 3.48Å; F26-F318 HydrophobicContact CB-CE2 4.48Å; F26-F318 AromaticContact CD1-CD2 3.77Å; F26-F318 HydrophobicContact CD1-CD2 3.77Å; F26-F318 HydrophobicContact CD1-CE2 4.12Å; F26-F318 AromaticContact CD2-CD2 3.86Å; F26-F318 HydrophobicContact CD2-CD2 3.86Å; F26-F318 HydrophobicContact CD2-CE2 4.39Å; F26-F318 HydrophobicContact CE1-CB 4.2Å; F26-F318 AromaticContact CE1-CD2 3.74Å; F26-F318 HydrophobicContact CE1-CD2 3.74Å; F26-F318 HydrophobicContact CE1-CG 4.19Å; F26-F318 HydrophobicContact CE2-CB 4.36Å; F26-F318 AromaticContact CE2-CD2 3.84Å; F26-F318 HydrophobicContact CE2-CD2 3.84Å; F26-F318 AromaticContact CG-CD2 3.84Å; F26-F318 HydrophobicContact CG-CD2 3.84Å; F26-F318 HydrophobicContact CG-CE2 4.07Å; F26-F318 HydrophobicContact CZ-CB 3.84Å; F26-F318 AromaticContact CZ-CD2 3.78Å; F26-F318 HydrophobicContact CZ-CD2 3.78Å; F26-F318 HydrophobicContact CZ-CG 4.2Å
27Y59.5Low56.7Low58 Ų5879.8 Ų79.823%0.22742%0.424CS..Hα-helixtrans-70.8-38.4179.5-82.4-137.2000111.8H23 Y24 E25 S31 T288 F296H23-Y27 AromaticContact CE1-CE1 3.67Å; H23-Y27 AromaticContact CE1-CE2 3.36Å; H23-Y27 WeakPolarHBondContact CE1-CE2 3.3Å; H23-Y27 AromaticContact CE1-CZ 3.1Å; H23-Y27 PolarHBondContact CE1-OH 3.06Å; H23-Y27 AromaticContact CG-CE2 3.95Å; H23-Y27 AromaticContact ND1-CD2 3.83Å; H23-Y27 AromaticContact ND1-CE2 3.49Å; H23-Y27 WeakPolarHBondContact ND1-CE2 3.3Å; H23-Y27 AromaticContact ND1-CZ 3.66Å; H23-Y27 AromaticContact NE2-CE2 3.73Å; H23-Y27 AromaticContact NE2-CZ 3.64Å; H23-Y27 PolarHBondContact NE2-OH 3.48Å; H23-Y27 WeakPolarHBondContact O-CB 3.34Å; H23-Y27 WeakPolarHBondContact O-CD2 3.29Å; H23-Y27 PolarHBondContact O-N 2.79Å; Y24-Y27 CarbonylContact O-C 3.52Å; Y24-Y27 WeakPolarHBondContact O-CA 3.37Å; Y24-Y27 WeakPolarHBondContact O-CB 3.35Å; Y24-Y27 PolarHBondContact O-N 3.36Å; Y24-Y27 VanDerWaalsContact O-N 3.08Å; E25-Y27 VanDerWaalsContact C-N 3.32Å; E25-Y27 PolarHBondContact O-N 3.2Å; Y27-S31 WeakPolarHBondContact O-CB 3.38Å; Y27-S31 PolarHBondContact O-N 3.03Å; Y27-S31 PolarHBondContact O-OG 2.86Å; Y27-T288 PolarHBondContact OH-O 3.08Å; Y27-F296 HydrophobicContact CD1-CD1 4.18Å; Y27-F296 HydrophobicContact CD1-CD2 4.41Å; Y27-F296 AromaticContact CD1-CE1 3.91Å; Y27-F296 HydrophobicContact CD1-CE1 3.91Å; Y27-F296 HydrophobicContact CD1-CE2 4.18Å; Y27-F296 HydrophobicContact CD1-CG 4.45Å; Y27-F296 AromaticContact CD1-CZ 3.92Å; Y27-F296 HydrophobicContact CD1-CZ 3.92Å; Y27-F296 HydrophobicContact CD2-CD2 4.39Å; Y27-F296 HydrophobicContact CD2-CG 4.37Å; Y27-F296 HydrophobicContact CE1-CD1 4.23Å; Y27-F296 AromaticContact CE1-CD2 3.76Å; Y27-F296 HydrophobicContact CE1-CD2 3.76Å; Y27-F296 AromaticContact CE1-CE1 3.8Å; Y27-F296 HydrophobicContact CE1-CE1 3.8Å; Y27-F296 AromaticContact CE1-CE2 3.3Å; Y27-F296 HydrophobicContact CE1-CE2 3.3Å; Y27-F296 HydrophobicContact CE1-CG 4.23Å; Y27-F296 AromaticContact CE1-CZ 3.32Å; Y27-F296 HydrophobicContact CE1-CZ 3.32Å; Y27-F296 AromaticContact CE2-CD2 3.75Å; Y27-F296 HydrophobicContact CE2-CD2 3.75Å; Y27-F296 HydrophobicContact CE2-CE2 4.11Å; Y27-F296 HydrophobicContact CE2-CG 4.17Å; Y27-F296 HydrophobicContact CG-CD1 4.44Å; Y27-F296 AromaticContact CZ-CD2 3.37Å; Y27-F296 AromaticContact CZ-CE2 3.24Å; Y27-F296 AromaticContact CZ-CZ 3.83Å; Y27-F296 WeakPolarHBondContact OH-CD2 3.48Å; Y27-F296 WeakPolarHBondContact OH-CE2 3.49Å
28T57.1Low55.6Low34 Ų3485.4 Ų85.421%0.20945%0.446CS..Hα-helixtrans-73.3-56.9177.250.80000111.4Y24 E25 K30 S31 E32Y24-T28 HydrophobicContact CD1-CG2 4.13Å; Y24-T28 HydrophobicContact CD2-CG2 4.36Å; Y24-T28 HydrophobicContact CE1-CG2 3.65Å; Y24-T28 HydrophobicContact CE2-CG2 3.9Å; Y24-T28 HydrophobicContact CG-CG2 4.46Å; Y24-T28 PolarHBondContact O-N 2.64Å; Y24-T28 PolarHBondContact O-OG1 2.69Å; Y24-T28 VanDerWaalsContact O-OG1 3.13Å; E25-T28 WeakPolarHBondContact CA-OG1 3.33Å; E25-T28 PolarHBondContact O-N 3.19Å; E25-T28 PolarHBondContact O-OG1 3.36Å; T28-K30 PolarHBondContact O-N 3.5Å; T28-S31 PolarHBondContact O-N 3.02Å; T28-S31 PolarHBondContact O-OG 3.23Å; T28-S31 VanDerWaalsContact O-OG 3.11Å; T28-E32 PolarHBondContact O-N 2.88Å; T28-E32 VanDerWaalsContact O-N 3.08Å
29V55.3Low54.4Low91 Ų9190.8 Ų90.855%0.55247%0.471SS*.Hα-helixtrans-59.3-34.2-175.4176.10000112.1E25 N33E25-V29 VanDerWaalsContact O-CB 3.25Å; E25-V29 WeakPolarHBondContact O-CB 3.36Å; E25-V29 VanDerWaalsContact O-CG2 3.24Å; E25-V29 WeakPolarHBondContact O-CG2 3.41Å; E25-V29 PolarHBondContact O-N 3.17Å; V29-N33 PolarHBondContact O-ND2 2.88Å
30K52.4Low53.4Low54 Ų5498.1 Ų98.124%0.23551%0.51CS..THydrogen-bonded Turntrans-94.91.9175.6-150.2159.2179.2165.30114.3F26 T28 R34 F296 H297 D299F26-K30 WeakPolarHBondContact O-CB 3.42Å; F26-K30 PolarHBondContact O-N 3.31Å; T28-K30 PolarHBondContact O-N 3.5Å; K30-R34 WeakPolarHBondContact O-CD 3.47Å; K30-R34 VanDerWaalsContact O-CG 3.24Å; K30-R34 WeakPolarHBondContact O-CG 3.37Å; K30-R34 PolarHBondContact O-NE 3.2Å; K30-F296 WeakPolarHBondContact CD-O 3.43Å; K30-F296 WeakPolarHBondContact CG-O 3.27Å; K30-H297 PolarHBondContact NZ-CD2 3.05Å; K30-H297 PolarHBondContact NZ-CE1 3.47Å; K30-H297 PolarHBondContact NZ-NE2 3.08Å; K30-D299 WeakPolarHBondContact CE-OD1 3.28Å; K30-D299 IonicContact NZ-OD1 3.43Å; K30-D299 PolarHBondContact NZ-OD1 3.19Å; K30-D299 IonicContact NZ-OD2 3.94Å
31S49.1Very low51.9Low46 Ų4697.6 Ų97.632%0.32253%0.527SS..THydrogen-bonded Turntrans-102.5-27.8171.463.50000115.1Y27 T28 N33 R34 V35Y27-S31 WeakPolarHBondContact O-CB 3.38Å; Y27-S31 PolarHBondContact O-N 3.03Å; Y27-S31 PolarHBondContact O-OG 2.86Å; T28-S31 PolarHBondContact O-N 3.02Å; T28-S31 PolarHBondContact O-OG 3.23Å; T28-S31 VanDerWaalsContact O-OG 3.11Å; S31-N33 PolarHBondContact O-N 3.47Å; S31-R34 WeakPolarHBondContact O-CB 3.31Å; S31-R34 PolarHBondContact O-N 3.38Å; S31-V35 PolarHBondContact O-N 3.31Å
32E50.1Low50.6Low165 Ų16598.7 Ų98.777%0.77154%0.537SS*.THydrogen-bonded Turntrans-57.2-32.1170.4-67.2-171146.900111.4T28 R34T28-E32 PolarHBondContact O-N 2.88Å; T28-E32 VanDerWaalsContact O-N 3.08Å; E32-R34 PolarHBondContact O-N 3.3Å
33N48.2Very low49.1Very low127 Ų127104 Ų10468%0.67956%0.558SS**THydrogen-bonded Turntrans-78.5-4.2172.5-68.9-64.5000115.4V29 S31V29-N33 PolarHBondContact O-ND2 2.88Å; S31-N33 PolarHBondContact O-N 3.47Å
34R45.9Very low47.7Very low56 Ų56111.2 Ų111.221%0.21159%0.589CS.*THydrogen-bonded Turntrans-104.9-27.7-174.1-74.3173.9-172.5-73.7126.8115.1K30 S31 E32 A36 I37 Y295 F296 T298K30-R34 WeakPolarHBondContact O-CD 3.47Å; K30-R34 VanDerWaalsContact O-CG 3.24Å; K30-R34 WeakPolarHBondContact O-CG 3.37Å; K30-R34 PolarHBondContact O-NE 3.2Å; S31-R34 WeakPolarHBondContact O-CB 3.31Å; S31-R34 PolarHBondContact O-N 3.38Å; E32-R34 PolarHBondContact O-N 3.3Å; R34-A36 PolarHBondContact O-N 3.41Å; R34-I37 PolarHBondContact O-N 2.96Å; R34-I37 VanDerWaalsContact O-N 3.1Å; R34-Y295 PolarHBondContact NH2-O 3.34Å; R34-F296 VanDerWaalsContact CZ-C 3.4Å; R34-F296 PolarHBondContact NE-O 2.95Å; R34-F296 VanDerWaalsContact NE-O 3.13Å; R34-F296 PolarHBondContact NH1-O 3.03Å; R34-F296 VanDerWaalsContact NH1-O 3.15Å; R34-T298 PolarHBondContact NH1-OG1 3.45Å; R34-T298 PolarHBondContact NH2-OG1 3.15Å; R34-T298 VanDerWaalsContact NH2-OG1 3.08Å
35V44.2Very low46.3Very low136 Ų136109.3 Ų109.382%0.82460%0.595SS**THydrogen-bonded Turntrans-58.3-19.7-171.5178.70000113S31S31-V35 PolarHBondContact O-N 3.31Å
36A42Very low45.4Very low99 Ų99109.9 Ų109.982%0.81860%0.598SS**THydrogen-bonded Turntrans-84.8-12.7179.500000116.5R34R34-A36 PolarHBondContact O-N 3.41Å
37I46.7Very low44.3Very low133 Ų133112.6 Ų112.668%0.68261%0.61SS**THydrogen-bonded Turntrans-118.4-34.2-157.2-60-175.3000116.8R34R34-I37 PolarHBondContact O-N 2.96Å; R34-I37 VanDerWaalsContact O-N 3.1Å
38Q41.9Very low43.3Very low165 Ų165118.9 Ų118.977%0.77164%0.639SS**  trans-124106.4-174.5-78.5-171.7-20.800114.6
39N38.1Very low42.7Very low166 Ų166120.7 Ų120.789%0.88865%0.653SS**  trans-116.932.3176.8-151.66.8000112.2
40N41.3Very low42Very low160 Ų160120.3 Ų120.386%0.85664%0.644SS**  trans-120106-177.7-83.5-25.7000110.8
41G35.5Very low41.4Very low77 Ų77126.3 Ų126.379%0.79467%0.67SS**PPolyproline II helixtrans-78.7137.6-178.900000114.2
42V39Very low41.1Very low118 Ų118129.9 Ų129.972%0.71569%0.686SS**PPolyproline II helixtrans-76.2133.7176.6-178.90000110.7
43K33.2Very low41.3Very low167 Ų167126.2 Ų126.273%0.72667%0.671SS**PPolyproline II helixtrans-86.3138.2179.1-73-178.9177.71760112.3S45K43-S45 PolarHBondContact O-N 2.97Å
44F35.1Very low41.9Very low183 Ų183122.1 Ų122.180%0.80365%0.652SS**G310 helixtrans-59.7-10.5-179.4-153.4-99.1000115Q46 F47F44-Q46 VanDerWaalsContact C-N 3.32Å; F44-Q46 PolarHBondContact O-N 3.06Å; F44-F47 PolarHBondContact O-N 3.48Å
45S36.9Very low42.9Very low97 Ų97124.1 Ų124.168%0.67867%0.672SS**G310 helixtrans-69.8-18.9-175.351.70000115.1K43 F47K43-S45 PolarHBondContact O-N 2.97Å; S45-F47 PolarHBondContact O-N 3.32Å
46Q42.9Very low43.4Very low113 Ų113122.3 Ų122.353%0.52866%0.657SS.*G310 helixtrans-65.6-22.5175.3-74.9-176.5-39.500112.8F44 K48 S49 F50F44-Q46 VanDerWaalsContact C-N 3.32Å; F44-Q46 PolarHBondContact O-N 3.06Å; Q46-K48 PolarHBondContact O-N 3.35Å; Q46-S49 PolarHBondContact O-N 2.84Å; Q46-S49 VanDerWaalsContact O-N 3.17Å; Q46-S49 PolarHBondContact O-OG 3.45Å; Q46-F50 HydrophobicContact CB-CE2 3.77Å; Q46-F50 HydrophobicContact CB-CZ 4.33Å; Q46-F50 WeakPolarHBondContact O-CD2 3.31Å; Q46-F50 VanDerWaalsContact O-CE2 3.3Å; Q46-F50 WeakPolarHBondContact O-CE2 3.49Å
47F35.4Very low44.2Very low120 Ų120120.7 Ų120.753%0.52663%0.631SS.*G310 helixtrans-59.5-14.2-169.8-121.8-79.9000115.5F44 S45F44-F47 PolarHBondContact O-N 3.48Å; S45-F47 PolarHBondContact O-N 3.32Å
48K39.6Very low45.3Very low190 Ų190118.2 Ų118.283%0.82662%0.618SS**G310 helixtrans-87.8-23.4-178.2-159.5172.5-178.7-176.60114.6Q46Q46-K48 PolarHBondContact O-N 3.35Å
49S43.5Very low46.8Very low72 Ų72117.2 Ų117.250%0.50361%0.611SS.*SBendtrans-95.4-2.3-178.259.50000114.5Q46 F51 D52Q46-S49 PolarHBondContact O-N 2.84Å; Q46-S49 VanDerWaalsContact O-N 3.17Å; Q46-S49 PolarHBondContact O-OG 3.45Å; S49-F51 PolarHBondContact O-N 2.86Å; S49-D52 WeakPolarHBondContact CA-OD2 3.48Å; S49-D52 PolarHBondContact O-N 3.43Å
50F40.7Very low48.4Very low83 Ų83113.6 Ų113.636%0.36459%0.585SS.*THydrogen-bonded Turntrans-71.9-10.3-179.6-74.3-86.2000114.8Q46 L225Q46-F50 HydrophobicContact CB-CE2 3.77Å; Q46-F50 HydrophobicContact CB-CZ 4.33Å; Q46-F50 WeakPolarHBondContact O-CD2 3.31Å; Q46-F50 VanDerWaalsContact O-CE2 3.3Å; Q46-F50 WeakPolarHBondContact O-CE2 3.49Å; F50-L225 HydrophobicContact CB-CD2 3.95Å; F50-L225 HydrophobicContact CD1-CB 3.61Å; F50-L225 HydrophobicContact CD1-CD2 3.7Å; F50-L225 HydrophobicContact CD1-CG 4.31Å; F50-L225 HydrophobicContact CD2-CD2 4.36Å; F50-L225 HydrophobicContact CE1-CB 3.97Å; F50-L225 HydrophobicContact CE1-CD2 4.22Å; F50-L225 HydrophobicContact CG-CB 4.48Å; F50-L225 HydrophobicContact CG-CD2 3.76Å
51F40.4Very low49.6Very low179 Ų179106.8 Ų106.879%0.78555%0.55SS**THydrogen-bonded Turntrans-102.3-3.7175.9-67.4-73000113.1S49 I53S49-F51 PolarHBondContact O-N 2.86Å; F51-I53 PolarHBondContact O-N 3.48Å
52D43.5Very low51.6Low121 Ų121108.6 Ų108.665%0.64754%0.538SS*.SBendtrans-75.4124.6173.7-65.7-46.7000109.3S49 S54S49-D52 WeakPolarHBondContact CA-OD2 3.48Å; S49-D52 PolarHBondContact O-N 3.43Å; D52-S54 PolarHBondContact O-N 3.37Å
53I53.9Low53.4Low89 Ų89107.3 Ų107.346%0.45653%0.528SS..PPolyproline II helixtrans-64.4133.6178.7-62.7172.2000108.7F51 Y57 L58F51-I53 PolarHBondContact O-N 3.48Å; I53-Y57 HydrophobicContact CG2-CD1 3.36Å; I53-Y57 HydrophobicContact CG2-CE1 4.15Å; I53-Y57 HydrophobicContact CG2-CG 3.99Å; I53-L58 HydrophobicContact CG2-CD2 4.27Å; I53-L58 HydrophobicContact CG2-CG 4.32Å
54S59.4Low55.1Low40 Ų40102.7 Ų102.728%0.2851%0.509SS..PPolyproline II helixtrans-49.5132.2-177.3170.90000112.1D52 D56 Y57 L58D52-S54 PolarHBondContact O-N 3.37Å; S54-D56 PolarHBondContact O-N 3.04Å; S54-D56 VanDerWaalsContact O-N 3.15Å; S54-D56 PolarHBondContact OG-N 2.96Å; S54-Y57 WeakPolarHBondContact O-CA 3.45Å; S54-Y57 WeakPolarHBondContact O-CB 3.44Å; S54-Y57 PolarHBondContact O-N 2.88Å; S54-L58 PolarHBondContact O-N 3.26Å; S54-L58 VanDerWaalsContact O-N 3.11Å
55P67.8Low57Low98 Ų98100.6 Ų100.664%0.63650%0.495SS*.Hα-helixtrans-53.7-33.8175-2836000113.2Y57 L58 K59P55-Y57 VanDerWaalsContact C-N 3.31Å; P55-Y57 PolarHBondContact O-N 2.91Å; P55-L58 PolarHBondContact O-N 3.35Å; P55-K59 WeakPolarHBondContact O-CB 3.23Å; P55-K59 PolarHBondContact O-N 3.43Å
56D55.2Low58.9Low98 Ų9898.3 Ų98.352%0.52448%0.482SS..Hα-helixtrans-77.4-14.4177.1-60.4-58.6000113.5S54 W60 R219S54-D56 PolarHBondContact O-N 3.04Å; S54-D56 VanDerWaalsContact O-N 3.15Å; S54-D56 PolarHBondContact OG-N 2.96Å; D56-W60 WeakPolarHBondContact O-CB 3.41Å; D56-W60 PolarHBondContact O-N 3.13Å; D56-R219 PolarHBondContact O-NH2 2.8Å
57Y58.1Low60.2Low65 Ų6597.3 Ų97.326%0.25548%0.477SS..Hα-helixtrans-78.6-44.9163.3178.6-91.5000111.1I53 S54 P55 W60 S61 L217 P221I53-Y57 HydrophobicContact CG2-CD1 3.36Å; I53-Y57 HydrophobicContact CG2-CE1 4.15Å; I53-Y57 HydrophobicContact CG2-CG 3.99Å; S54-Y57 WeakPolarHBondContact O-CA 3.45Å; S54-Y57 WeakPolarHBondContact O-CB 3.44Å; S54-Y57 PolarHBondContact O-N 2.88Å; P55-Y57 VanDerWaalsContact C-N 3.31Å; P55-Y57 PolarHBondContact O-N 2.91Å; Y57-W60 HydrophobicContact CD2-CE3 4.32Å; Y57-W60 HydrophobicContact CE2-CE3 4.21Å; Y57-W60 HydrophobicContact CE2-CZ3 4.13Å; Y57-W60 PolarHBondContact O-N 2.78Å; Y57-S61 WeakPolarHBondContact O-CB 3.36Å; Y57-S61 PolarHBondContact O-N 3.22Å; Y57-L217 HydrophobicContact CE2-CD1 4.05Å; Y57-P221 HydrophobicContact CD2-CB 3.33Å; Y57-P221 HydrophobicContact CD2-CG 4.23Å; Y57-P221 HydrophobicContact CE2-CB 3.91Å; Y57-P221 HydrophobicContact CE2-CG 4.34Å; Y57-P221 HydrophobicContact CG-CB 3.9Å
58L69.6Low61.9Low81 Ų8196.8 Ų96.842%0.42448%0.48SS..Hα-helixtrans-57.9-54.9178-65.9173.7000110.9I53 S54 P55 W60 S61 E62I53-L58 HydrophobicContact CG2-CD2 4.27Å; I53-L58 HydrophobicContact CG2-CG 4.32Å; S54-L58 PolarHBondContact O-N 3.26Å; S54-L58 VanDerWaalsContact O-N 3.11Å; P55-L58 PolarHBondContact O-N 3.35Å; L58-W60 VanDerWaalsContact C-N 3.3Å; L58-W60 PolarHBondContact O-N 3.34Å; L58-S61 WeakPolarHBondContact O-CA 3.28Å; L58-S61 WeakPolarHBondContact O-CB 3.5Å; L58-S61 PolarHBondContact O-N 3.18Å; L58-S61 PolarHBondContact O-OG 3.45Å; L58-E62 WeakPolarHBondContact O-CG 3.37Å; L58-E62 PolarHBondContact O-N 3Å
59K73.6Confident63.6Low144 Ų14493.4 Ų93.463%0.62647%0.467SS*.Hα-helixtrans-57-37.9177.1-176.7179.3178-176.10113.4P55 N63P55-K59 WeakPolarHBondContact O-CB 3.23Å; P55-K59 PolarHBondContact O-N 3.43Å; K59-N63 WeakPolarHBondContact O-CB 3.43Å; K59-N63 PolarHBondContact O-N 3.26Å; K59-N63 VanDerWaalsContact O-N 3.09Å
60W72.1Confident65Low90 Ų9092.6 Ų92.634%0.34146%0.461SS..Hα-helixtrans-68.9-41.1173.6175.391.3000111.9D56 Y57 L58 E62 N63 Q64 L217 R219D56-W60 WeakPolarHBondContact O-CB 3.41Å; D56-W60 PolarHBondContact O-N 3.13Å; Y57-W60 HydrophobicContact CD2-CE3 4.32Å; Y57-W60 HydrophobicContact CE2-CE3 4.21Å; Y57-W60 HydrophobicContact CE2-CZ3 4.13Å; Y57-W60 PolarHBondContact O-N 2.78Å; L58-W60 VanDerWaalsContact C-N 3.3Å; L58-W60 PolarHBondContact O-N 3.34Å; W60-E62 VanDerWaalsContact C-N 3.27Å; W60-E62 PolarHBondContact O-N 2.84Å; W60-N63 PolarHBondContact O-N 2.7Å; W60-Q64 HydrophobicContact CD2-CG 4.02Å; W60-Q64 HydrophobicContact CE3-CG 4.35Å; W60-Q64 HydrophobicContact CH2-CG 4.01Å; W60-Q64 HydrophobicContact CZ2-CG 3.68Å; W60-Q64 HydrophobicContact CZ3-CG 4.34Å; W60-Q64 WeakPolarHBondContact O-CG 3.44Å; W60-Q64 PolarHBondContact O-N 3.06Å; W60-L217 HydrophobicContact CH2-CD2 3.39Å; W60-L217 HydrophobicContact CZ2-CD2 4.18Å; W60-L217 HydrophobicContact CZ3-CD2 3.74Å; W60-R219 VanDerWaalsContact CG-NH2 3.27Å
61S66.6Low66.3Low17 Ų1793 Ų9312%0.11947%0.466CS..Hα-helixtrans-67.1-27.7178.186.20000113.1Y57 L58 R65Y57-S61 WeakPolarHBondContact O-CB 3.36Å; Y57-S61 PolarHBondContact O-N 3.22Å; L58-S61 WeakPolarHBondContact O-CA 3.28Å; L58-S61 WeakPolarHBondContact O-CB 3.5Å; L58-S61 PolarHBondContact O-N 3.18Å; L58-S61 PolarHBondContact O-OG 3.45Å; S61-R65 PolarHBondContact O-N 2.96Å; S61-R65 PolarHBondContact O-NE 2.96Å; S61-R65 PolarHBondContact OG-NH2 3.38Å; S61-R65 VanDerWaalsContact OG-NH2 3.09Å
62E77.9Confident67.6Low115 Ų11588.6 Ų88.654%0.53745%0.454SS..Hα-helixtrans-73-47.4172.2-70.3166.8166.800110.4L58 W60 Q64 R65 A66L58-E62 WeakPolarHBondContact O-CG 3.37Å; L58-E62 PolarHBondContact O-N 3Å; W60-E62 VanDerWaalsContact C-N 3.27Å; W60-E62 PolarHBondContact O-N 2.84Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 3.42Å; E62-R65 WeakPolarHBondContact O-CB 3.47Å; E62-R65 PolarHBondContact O-N 2.88Å; E62-R65 VanDerWaalsContact O-N 3.1Å; E62-A66 PolarHBondContact O-N 3.37Å
63N76.7Confident68.9Low92 Ų9288.3 Ų88.349%0.49245%0.451SS..Hα-helixtrans-62.4-38.3177-164.124.5000112.3K59 W60 A66 Q67K59-N63 WeakPolarHBondContact O-CB 3.43Å; K59-N63 PolarHBondContact O-N 3.26Å; K59-N63 VanDerWaalsContact O-N 3.09Å; W60-N63 PolarHBondContact O-N 2.7Å; N63-A66 PolarHBondContact O-N 3.41Å; N63-Q67 WeakPolarHBondContact O-CG 3.43Å; N63-Q67 PolarHBondContact O-N 3.28Å
64Q68.5Low69.5Low70 Ų7088.8 Ų88.833%0.32746%0.455SS..Hα-helixtrans-66.8-35.9172.6-72.2-59.2-77.300112.9W60 E62 Q67 L68W60-Q64 HydrophobicContact CD2-CG 4.02Å; W60-Q64 HydrophobicContact CE3-CG 4.35Å; W60-Q64 HydrophobicContact CH2-CG 4.01Å; W60-Q64 HydrophobicContact CZ2-CG 3.68Å; W60-Q64 HydrophobicContact CZ3-CG 4.34Å; W60-Q64 WeakPolarHBondContact O-CG 3.44Å; W60-Q64 PolarHBondContact O-N 3.06Å; E62-Q64 VanDerWaalsContact C-N 3.33Å; E62-Q64 PolarHBondContact O-N 3.42Å; Q64-Q67 PolarHBondContact O-N 3.24Å; Q64-L68 PolarHBondContact O-N 3.39Å
65R74.4Confident69.2Low138 Ų13892.6 Ų92.652%0.52147%0.472SS..Hα-helixtrans-65.4-45.5171.9-91.3177.7-83.1-178.9-5111.9S61 E62 Q67 L68 E69S61-R65 PolarHBondContact O-N 2.96Å; S61-R65 PolarHBondContact O-NE 2.96Å; S61-R65 PolarHBondContact OG-NH2 3.38Å; S61-R65 VanDerWaalsContact OG-NH2 3.09Å; E62-R65 WeakPolarHBondContact O-CB 3.47Å; E62-R65 PolarHBondContact O-N 2.88Å; E62-R65 VanDerWaalsContact O-N 3.1Å; R65-Q67 VanDerWaalsContact C-N 3.3Å; R65-Q67 PolarHBondContact O-N 2.81Å; R65-L68 PolarHBondContact O-N 3.5Å; R65-L68 VanDerWaalsContact O-N 3.11Å; R65-E69 WeakPolarHBondContact O-CB 3.42Å; R65-E69 WeakPolarHBondContact O-CG 3.41Å; R65-E69 PolarHBondContact O-N 3.28Å
66A76.2Confident68.8Low49 Ų4991.1 Ų91.141%0.40547%0.467SS..Hα-helixtrans-60-38.3175.800000112.7E62 N63 E69 S70E62-A66 PolarHBondContact O-N 3.37Å; N63-A66 PolarHBondContact O-N 3.41Å; A66-E69 PolarHBondContact O-N 3.34Å; A66-S70 PolarHBondContact O-N 3.33Å; A66-S70 PolarHBondContact O-OG 3.45Å
67Q71.8Confident68.8Low92 Ų9290.3 Ų90.343%0.4347%0.469SS..Hα-helixtrans-63.5-46.4171.9-74.8-176.2-13.600112N63 Q64 R65 E69 S70 I71N63-Q67 WeakPolarHBondContact O-CG 3.43Å; N63-Q67 PolarHBondContact O-N 3.28Å; Q64-Q67 PolarHBondContact O-N 3.24Å; R65-Q67 VanDerWaalsContact C-N 3.3Å; R65-Q67 PolarHBondContact O-N 2.81Å; Q67-E69 PolarHBondContact O-N 2.92Å; Q67-S70 PolarHBondContact O-N 3.28Å; Q67-S70 PolarHBondContact O-OG 3.17Å; Q67-I71 WeakPolarHBondContact O-CD1 3.37Å; Q67-I71 VanDerWaalsContact O-CG1 3.29Å; Q67-I71 WeakPolarHBondContact O-CG1 3.31Å; Q67-I71 PolarHBondContact O-N 3.16Å
68L69.9Low68.4Low110 Ų11093.4 Ų93.458%0.57649%0.49SS*.Hα-helixtrans-62-39.8175.2-89.3160.6000113.2Q64 R65 I71 T72Q64-L68 PolarHBondContact O-N 3.39Å; R65-L68 PolarHBondContact O-N 3.5Å; R65-L68 VanDerWaalsContact O-N 3.11Å; L68-I71 PolarHBondContact O-N 2.98Å; L68-T72 WeakPolarHBondContact O-CB 3.46Å; L68-T72 PolarHBondContact O-N 3.48Å; L68-T72 PolarHBondContact O-OG1 2.82Å
69E75Confident67Low118 Ų11897.9 Ų97.955%0.55151%0.506SS*.Hα-helixtrans-65.7-46.5177.5-74.8169.4-17100111.4R65 A66 Q67 I71 T72 I73R65-E69 WeakPolarHBondContact O-CB 3.42Å; R65-E69 WeakPolarHBondContact O-CG 3.41Å; R65-E69 PolarHBondContact O-N 3.28Å; A66-E69 PolarHBondContact O-N 3.34Å; Q67-E69 PolarHBondContact O-N 2.92Å; E69-I71 PolarHBondContact O-N 3.42Å; E69-T72 WeakPolarHBondContact O-CB 3.3Å; E69-T72 PolarHBondContact O-N 2.85Å; E69-T72 VanDerWaalsContact O-N 3.14Å; E69-I73 WeakPolarHBondContact O-CG1 3.43Å; E69-I73 PolarHBondContact O-N 3.15Å
70S72.6Confident65.5Low56 Ų5697 Ų9739%0.39251%0.513SS..Hα-helixtrans-62.5-39.9175.764.40000113A66 Q67 T72 I73 N74A66-S70 PolarHBondContact O-N 3.33Å; A66-S70 PolarHBondContact O-OG 3.45Å; Q67-S70 PolarHBondContact O-N 3.28Å; Q67-S70 PolarHBondContact O-OG 3.17Å; S70-T72 VanDerWaalsContact C-N 3.34Å; S70-T72 PolarHBondContact O-N 2.89Å; S70-I73 PolarHBondContact O-N 2.83Å; S70-N74 WeakPolarHBondContact O-CB 3.29Å; S70-N74 VanDerWaalsContact O-CG 3.28Å; S70-N74 PolarHBondContact O-N 3.32Å; S70-N74 PolarHBondContact O-ND2 3.4Å; S70-N74 VanDerWaalsContact O-ND2 3.14Å
71I69.9Low63.9Low92 Ų9299.2 Ų99.247%0.47254%0.537SS..Hα-helixtrans-62-42172.7-70166.2000110.9Q67 L68 E69 N74 L75Q67-I71 WeakPolarHBondContact O-CD1 3.37Å; Q67-I71 VanDerWaalsContact O-CG1 3.29Å; Q67-I71 WeakPolarHBondContact O-CG1 3.31Å; Q67-I71 PolarHBondContact O-N 3.16Å; L68-I71 PolarHBondContact O-N 2.98Å; E69-I71 PolarHBondContact O-N 3.42Å; I71-N74 PolarHBondContact O-N 3.22Å; I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 WeakPolarHBondContact O-CB 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.43Å; I71-L75 PolarHBondContact O-N 3.47Å
72T67.8Low62.4Low86 Ų86107.3 Ų107.353%0.52857%0.572SS.*Hα-helixtrans-66.6-40.3178.9-57.40000111.9L68 E69 S70 L75 A76L68-T72 WeakPolarHBondContact O-CB 3.46Å; L68-T72 PolarHBondContact O-N 3.48Å; L68-T72 PolarHBondContact O-OG1 2.82Å; E69-T72 WeakPolarHBondContact O-CB 3.3Å; E69-T72 PolarHBondContact O-N 2.85Å; E69-T72 VanDerWaalsContact O-N 3.14Å; S70-T72 VanDerWaalsContact C-N 3.34Å; S70-T72 PolarHBondContact O-N 2.89Å; T72-L75 PolarHBondContact O-N 2.97Å; T72-A76 WeakPolarHBondContact O-CB 3.3Å; T72-A76 PolarHBondContact O-N 3.49Å
73I70.9Confident60.4Low114 Ų114108.3 Ų108.359%0.58559%0.586SS**Hα-helixtrans-64.1-44.3174.8-71160.9000110.7E69 S70 L75 A76 S77E69-I73 WeakPolarHBondContact O-CG1 3.43Å; E69-I73 PolarHBondContact O-N 3.15Å; S70-I73 PolarHBondContact O-N 2.83Å; I73-L75 VanDerWaalsContact C-N 3.35Å; I73-L75 PolarHBondContact O-N 3.43Å; I73-A76 PolarHBondContact O-N 3.46Å; I73-A76 VanDerWaalsContact O-N 3.15Å; I73-S77 WeakPolarHBondContact O-CB 3.43Å; I73-S77 PolarHBondContact O-N 2.87Å
74N66.2Low58.3Low100 Ų100113.3 Ų113.354%0.53561%0.609SS.*Hα-helixtrans-63.4-39176.5-71.4-32.1000112.2S70 I71 A76 S77 N78S70-N74 WeakPolarHBondContact O-CB 3.29Å; S70-N74 VanDerWaalsContact O-CG 3.28Å; S70-N74 PolarHBondContact O-N 3.32Å; S70-N74 PolarHBondContact O-ND2 3.4Å; S70-N74 VanDerWaalsContact O-ND2 3.14Å; I71-N74 PolarHBondContact O-N 3.22Å; N74-A76 VanDerWaalsContact C-N 3.33Å; N74-S77 PolarHBondContact O-N 2.93Å; N74-N78 PolarHBondContact O-N 3.33Å; N74-N78 VanDerWaalsContact O-N 3.08Å
75L53.3Low56.6Low120 Ų120113.1 Ų113.163%0.62863%0.626SS**Hα-helixtrans-70.1-25.3173.7-79.3165.6000113.8I71 T72 I73I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 WeakPolarHBondContact O-CB 3.31Å; I71-L75 WeakPolarHBondContact O-CG 3.43Å; I71-L75 PolarHBondContact O-N 3.47Å; T72-L75 PolarHBondContact O-N 2.97Å; I73-L75 VanDerWaalsContact C-N 3.35Å; I73-L75 PolarHBondContact O-N 3.43Å
76A58.4Low54.8Low66 Ų66112.4 Ų112.455%0.54564%0.639SS.*Hα-helixtrans-77-41.1170.200000111.5T72 I73 N74T72-A76 WeakPolarHBondContact O-CB 3.3Å; T72-A76 PolarHBondContact O-N 3.49Å; I73-A76 PolarHBondContact O-N 3.46Å; I73-A76 VanDerWaalsContact O-N 3.15Å; N74-A76 VanDerWaalsContact C-N 3.33Å
77S54.7Low52.8Low81 Ų81118.5 Ų118.557%0.56666%0.664SS**Hα-helixtrans-65.6-37.1-179.9-168.40000113.1I73 N74 K79I73-S77 WeakPolarHBondContact O-CB 3.43Å; I73-S77 PolarHBondContact O-N 2.87Å; N74-S77 PolarHBondContact O-N 2.93Å; S77-K79 VanDerWaalsContact C-N 3.27Å; S77-K79 PolarHBondContact O-N 3.44Å
78N50.1Low51.1Low130 Ų130121.2 Ų121.270%0.69568%0.68SS**THydrogen-bonded Turntrans-85.114.5-176.6-78.3-5.4000114.4N74 T80N74-N78 PolarHBondContact O-N 3.33Å; N74-N78 VanDerWaalsContact O-N 3.08Å; N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact O-N 2.85Å
79K39.6Very low49.4Very low176 Ų176123.3 Ų123.377%0.76569%0.691SS**  trans-81.37.3-179.5-93.4179.3176177.70115.6S77S77-K79 VanDerWaalsContact C-N 3.27Å; S77-K79 PolarHBondContact O-N 3.44Å
80T42.7Very low47.5Very low125 Ų125122.7 Ų122.777%0.76770%0.698SS**SBendtrans-124.444.9-176.641.80000114.8N78N78-T80 VanDerWaalsContact C-N 3.27Å; N78-T80 PolarHBondContact O-N 2.85Å
81T39.6Very low45.5Very low136 Ų136128.2 Ų128.283%0.83472%0.722SS**SBendtrans-152.3152.5155.230000112.8
82H33.7Very low43.7Very low187 Ų187132.3 Ų132.387%0.86674%0.739SS**  trans-69.3139.9175.3-85.2-134.3000112.2
83V36.1Very low42Very low137 Ų137137.7 Ų137.783%0.8376%0.758SS**  -175.3137.7117.1145.90000109.1
84M32.1Very low40.3Very low196 Ų196137.2 Ų137.297%0.96677%0.765SS**  trans-89.6132.8166.7-69.8-178177.800109.7
85G33.7Very low38.6Very low66 Ų66137.6 Ų137.668%0.6878%0.776SS**  trans-167.6123172.300000111.8
86P35.9Very low37.6Very low123 Ų123138.8 Ų138.880%0.79979%0.788SS**  trans-86141.4178.233.7-32.7000111.4
87L35.5Very low36.3Very low177 Ų177141 Ų14193%0.92779%0.794SS**  trans-121.476.4169.3-76175.5000111.3
88I35.4Very low35.2Very low149 Ų149145.8 Ų145.876%0.76481%0.808SS**  trans-89.2117146.9-63.2171.5000105.9
89N34.1Very low34.4Very low154 Ų154145.1 Ų145.182%0.82481%0.813SS**  trans-172.8130.8143.3-99.1-12.7000111.2
90P34.8Very low34Very low106 Ų106143.9 Ų143.969%0.68882%0.815SS**  trans-94.3179.5164.738.4-33.4000111.9
91L30.7Very low33.5Very low172 Ų172147.5 Ų147.590%0.90182%0.82SS**  trans91.9153.8169.7-61.2164.9000118.6
92E31.7Very low33Very low178 Ų178152.3 Ų152.383%0.83282%0.823SS**  trans82.968.3154.3-153.9152.3-12000120.5
93Q33.8Very low33.2Very low198 Ų198151.5 Ų151.593%0.92582%0.819SS**  trans-175.8131.2137.4-98153.157.100107.4
94S33.3Very low33.1Very low105 Ų105149.5 Ų149.573%0.73481%0.812SS**  cis-139.8137.512.5500000112.6
95S30.8Very low33.1Very low108 Ų108144.8 Ų144.876%0.75580%0.804SS**  trans-100.583.6175.844.70000111.3T97S95-T97 PolarHBondContact O-N 3.29Å; S95-T97 VanDerWaalsContact O-N 3.16Å
96V33.3Very low33.3Very low145 Ų145147.9 Ų147.988%0.87980%0.804SS**  trans-82.294.2171.3-175.90000109.2
97T30.2Very low33.3Very low111 Ų111149.8 Ų149.868%0.68180%0.8SS**  trans-113.2145.9172.553.60000110.3S95S95-T97 PolarHBondContact O-N 3.29Å; S95-T97 VanDerWaalsContact O-N 3.16Å
98H31.4Very low33.2Very low183 Ų183151.3 Ų151.385%0.84779%0.794SS**  trans58.699.4173.1-76.5-90.7000118.2
99S33.8Very low33.4Very low115 Ų115150.4 Ų150.480%0.80480%0.796SS**  -158.1128.9118.8-20000112.3
100D31.5Very low33.6Very low151 Ų151147.6 Ų147.681%0.80779%0.788SS**  trans15.1114.6149.8-50.2-45.1000121.3
101F33.1Very low33.8Very low201 Ų201150.9 Ų150.988%0.88279%0.791SS**  -149.1107.5116.3-137.4-95.2000111.7
102R28.4Very low34.1Very low236 Ų236151 Ų15189%0.89179%0.787SS**  trans-145.949-178.3-150.9-170.6-163.1-167.77.8114.7
103H37.3Very low34.4Very low170 Ų170146.9 Ų146.979%0.78778%0.784SS**  trans-143.5150.4165.1-83.5-57.2000109.4
104S35.2Very low34.9Very low96 Ų96142.4 Ų142.467%0.67177%0.771SS**  cis-143.8140.82-167.40000111.5
105A31.6Very low35.1Very low97 Ų97143.8 Ų143.880%0.80277%0.771SS**  trans-111.687.417400000110.5
106N37.2Very low35.6Very low130 Ų130147.2 Ų147.270%0.69578%0.775SS**  trans-171.2147.4173.6-94.4-46.5000108.7
107K35.8Very low35.9Very low164 Ų164145.3 Ų145.371%0.71376%0.76SS**  cis-170157.8-17.2-158.7178.2-170.8159.60108.4
108R34.4Very low36.4Very low208 Ų208147.3 Ų147.379%0.78576%0.759SS**  trans85.1109.5159.2-47.3-173.6-163.4-153.73.9119.5
109T38.9Very low36.7Very low131 Ų131145.1 Ų145.180%0.80475%0.754SS**  66.5117.1123.662.20000122.8
110S38.6Very low36.7Very low95 Ų95145.4 Ų145.466%0.66475%0.75SS**  102.3100.1113.8-176.10000120.6
111K39Very low37.3Very low174 Ų174146.2 Ų146.276%0.75775%0.753SS**  trans79.8125.5132.5-71-179.4171.4-166.90121.3
112Q37.2Very low37.4Very low176 Ų176143.3 Ų143.382%0.82275%0.747SS**  trans77.7153.8141.9-73.5166.3-102.200119
113A38.8Very low38Very low91 Ų91136.8 Ų136.875%0.75274%0.737SS**  trans-156.4-172-170.800000105.9
114P43.6Very low38.2Very low103 Ų103135.8 Ų135.867%0.66974%0.738SS**  cis-122.7-165.5-18.119.86.2000111
115D38.2Very low38.6Very low134 Ų134139.5 Ų139.572%0.71775%0.748SS**  148.8145.6125-73.3-23.4000114.2
116E39.7Very low39Very low181 Ų181141.6 Ų141.685%0.84674%0.742SS**  trans61.1146.9151.9-79-178.2-18000120.7
117D40.4Very low39Very low105 Ų105143.8 Ų143.856%0.56175%0.745SS**  cis-165.6168.5-11.9-151.7-8.9000113.3
118K40.8Very low39.2Very low153 Ų153140.8 Ų140.867%0.66575%0.751SS**  trans52.2127.3149.4-81.9154.1-163.31450126
119N37.9Very low39.2Very low137 Ų137138.6 Ų138.673%0.73376%0.755SS**  80.2103.5125.8-63.7-3.8000124.8
120T34.1Very low39.3Very low120 Ų120138.1 Ų138.174%0.73676%0.756SS**  22.6134.2114.3-41.30000122.1
121I42.3Very low39.2Very low168 Ų168140 Ų14086%0.86277%0.769SS**  trans-154.9154145.9-102.8152.2000110.2
122N35.2Very low39Very low140 Ų140136.4 Ų136.475%0.74977%0.767SS**  trans-106.4163.3-176.8-55.7-34.1000112.6
123S41.3Very low38.7Very low99 Ų99133.9 Ų133.969%0.69276%0.763SS**  153.9125.1122.466.60000115.4
124D41.6Very low38.6Very low149 Ų149136.8 Ų136.880%0.79776%0.764SS**  trans52.4131.7135.5-44.9-22.6000123.7
125I44Very low38.1Very low174 Ų174137.9 Ų137.989%0.89277%0.765SS**  -173160.9123.6-96.9160.2000111
126E39.7Very low37.8Very low142 Ų142141.1 Ų141.166%0.66478%0.775SS**  trans-101156.4-156.3-59.9-167.698.400118.7
127K38.3Very low37.3Very low175 Ų175136.4 Ų136.476%0.76176%0.762SS**  trans48.6116.9139.3-67.3161.5-177.51540121.1
128A39.6Very low36.9Very low101 Ų101138.6 Ų138.684%0.83577%0.774SS**  -157.1147.7128.400000111.4
129N35.1Very low36.6Very low163 Ų163140.4 Ų140.487%0.87279%0.785SS**  trans-77.4140.2-175.2-64.2-24.1000113.3
130S40.8Very low36.4Very low120 Ų120136.3 Ų136.384%0.83978%0.775SS**  -165.6138.6127.7-83.40000111.4
131S34.8Very low36.1Very low134 Ų134137.3 Ų137.394%0.93778%0.776SS**  trans-94.1105.9-173-52.60000111.9
132S35.6Very low35.6Very low100 Ų100136.1 Ų136.170%0.69978%0.776SS**  trans-146.1119.4162.357.10000109.4I134S132-I134 PolarHBondContact O-N 2.91Å
133V31.5Very low35.6Very low123 Ų123134.7 Ų134.775%0.74577%0.772SS**  trans-64.9126.2178.7177.10000109.3D135V133-D135 HydrophobicContact CG1-CB 4.45Å
134I36.7Very low35.4Very low152 Ų152133.2 Ų133.278%0.77977%0.766SS**  trans-106.898.9162.1-60.3178.1000105.3S132 E136S132-I134 PolarHBondContact O-N 2.91Å; I134-E136 PolarHBondContact O-N 3.39Å
135D31.7Very low35.2Very low126 Ų126131.4 Ų131.467%0.67477%0.765SS**  trans-75.6111.3174.1-82.8-49000109.7V133 S137V133-D135 HydrophobicContact CG1-CB 4.45Å; D135-S137 PolarHBondContact O-N 3.32Å
136E31.8Very low35.7Very low201 Ų201127.5 Ų127.594%0.93975%0.75SS**  trans-71.671.2161.5-72.8-170.3105.400109.8I134I134-E136 PolarHBondContact O-N 3.39Å
137S31.1Very low36.5Very low82 Ų82123.7 Ų123.757%0.57374%0.736SS**  trans-139.983.7177.6700000112.8D135D135-S137 PolarHBondContact O-N 3.32Å
138N32.1Very low37.7Very low151 Ų151121.1 Ų121.181%0.80774%0.735SS**  trans-160.168.9149.3-111.2-47.7000111.6G140N138-G140 PolarHBondContact O-N 3.42Å
139E34Very low39.4Very low192 Ų192118.2 Ų118.290%0.89770%0.702SS**  trans-61.294.2140.9-74.7-166121.600106.6N141E139-N141 PolarHBondContact O-N 3.12Å
140G32.4Very low41.7Very low50 Ų50114.1 Ų114.152%0.51569%0.686SS.*  trans-60.6113.4-172.900000110.4N138 V142N138-G140 PolarHBondContact O-N 3.42Å; G140-V142 PolarHBondContact O-N 2.84Å
141N29.4Very low43.7Very low142 Ų142110.9 Ų110.976%0.75967%0.672SS**  trans-46.5105.2-178.7-79.5-71.1000111.4E139 T143E139-N141 PolarHBondContact O-N 3.12Å; N141-T143 HydrophobicContact CB-CG2 4.42Å; N141-T143 PolarHBondContact O-N 3.33Å
142V31.1Very low46.3Very low143 Ų143109.1 Ų109.187%0.86766%0.656SS**  trans-73.480.2166.3-1770000106.9G140 A144G140-V142 PolarHBondContact O-N 2.84Å; V142-A144 PolarHBondContact O-N 3.48Å
143T34.1Very low48.8Very low109 Ų109107.1 Ų107.167%0.66964%0.639SS**  trans-57.9121.7174.840.50000108.5N141 S145N141-T143 HydrophobicContact CB-CG2 4.42Å; N141-T143 PolarHBondContact O-N 3.33Å; T143-S145 PolarHBondContact O-N 3.01Å
144A37.4Very low51.5Low68 Ų68102.4 Ų102.456%0.56261%0.612SS**  trans-54117.5179.400000108.7V142 T146V142-A144 PolarHBondContact O-N 3.48Å; A144-T146 VanDerWaalsContact C-N 3.26Å; A144-T146 PolarHBondContact O-N 3.1Å
145S38.9Very low54Low112 Ų11299.5 Ų99.578%0.78360%0.601SS**  trans-76.779-169.9-660000110.5T143 V147T143-S145 PolarHBondContact O-N 3.01Å; S145-V147 PolarHBondContact O-N 3.26Å
146T52.9Low56.9Low92 Ų9298.1 Ų98.156%0.56459%0.592SS**  trans-55.5126.9166.8490000108.4A144 V148A144-T146 VanDerWaalsContact C-N 3.26Å; A144-T146 PolarHBondContact O-N 3.1Å; T146-V148 PolarHBondContact O-N 2.92Å
147V56.7Low59.8Low62 Ų6291.3 Ų91.338%0.37656%0.562SS.*  trans-76.577.2-175.7-176.90000109.2S145 Y149 D895S145-V147 PolarHBondContact O-N 3.26Å; V147-Y149 VanDerWaalsContact C-N 3.34Å; V147-Y149 HydrophobicContact CG1-CE1 4.3Å; V147-Y149 HydrophobicContact CG1-CE2 4.38Å; V147-Y149 PolarHBondContact O-N 3.35Å; V147-D895 HydrophobicContact CG2-CB 4.47Å
148V65Low62.7Low121 Ų12188.9 Ų88.973%0.73355%0.547SS*.  trans-7193.2171.3-1770000107.6T146 S150T146-V148 PolarHBondContact O-N 2.92Å; V148-S150 PolarHBondContact O-N 2.95Å
149Y74.7Confident65.7Low40 Ų4086.7 Ų86.716%0.15754%0.535CS..  trans-52.7137.8170.2-67.8-78000110.2V147 G151 T153 S154 L157 I896V147-Y149 VanDerWaalsContact C-N 3.34Å; V147-Y149 HydrophobicContact CG1-CE1 4.3Å; V147-Y149 HydrophobicContact CG1-CE2 4.38Å; V147-Y149 PolarHBondContact O-N 3.35Å; Y149-G151 PolarHBondContact O-N 3.29Å; Y149-T153 HydrophobicContact CD1-CG2 3.77Å; Y149-T153 HydrophobicContact CG-CG2 4.38Å; Y149-S154 VanDerWaalsContact CB-OG 3.29Å; Y149-S154 WeakPolarHBondContact CB-OG 3.34Å; Y149-S154 PolarHBondContact O-OG 3.28Å; Y149-S154 VanDerWaalsContact O-OG 3.12Å; Y149-L157 HydrophobicContact CD1-CD1 3.9Å; Y149-L157 HydrophobicContact CD2-CD1 4.11Å; Y149-L157 HydrophobicContact CE1-CD1 3.92Å; Y149-L157 HydrophobicContact CE2-CD1 4.15Å; Y149-L157 HydrophobicContact CG-CD1 3.99Å; Y149-I896 HydrophobicContact CE1-CG1 4.47Å
150S82.2Confident68.6Low77 Ų7782.3 Ų82.354%0.53852%0.517SS..  trans-52.9141.1171.6178.10000109.9V148 T152 T153 S154V148-S150 PolarHBondContact O-N 2.95Å; S150-T152 PolarHBondContact O-N 3.19Å; S150-T152 PolarHBondContact OG-OG1 2.84Å; S150-T153 CarbonylContact O-C 3.55Å; S150-T153 WeakPolarHBondContact O-CA 3.3Å; S150-T153 VanDerWaalsContact O-CB 3.31Å; S150-T153 WeakPolarHBondContact O-CB 3.34Å; S150-T153 PolarHBondContact O-N 3.4Å; S150-S154 PolarHBondContact O-N 2.95Å; S150-S154 PolarHBondContact O-OG 3.49Å
151G84Confident71.6Confident51 Ų5180.6 Ų80.653%0.52650%0.496SS..Hα-helixtrans-53.6-32-173.500000114Y149 V155Y149-G151 PolarHBondContact O-N 3.29Å; G151-V155 VanDerWaalsContact O-CG2 3.31Å; G151-V155 WeakPolarHBondContact O-CG2 3.34Å; G151-V155 PolarHBondContact O-N 2.9Å
152T88.7Confident74.7Confident98 Ų9876.3 Ų76.360%0.60148%0.481SS*.Hα-helixtrans-66.8-45.2172.452.10000112.4S150 V155 I156S150-T152 PolarHBondContact O-N 3.19Å; S150-T152 PolarHBondContact OG-OG1 2.84Å; T152-V155 PolarHBondContact O-N 2.77Å; T152-I156 WeakPolarHBondContact O-CD1 3.46Å; T152-I156 VanDerWaalsContact O-CG1 3.25Å; T152-I156 WeakPolarHBondContact O-CG1 3.47Å; T152-I156 PolarHBondContact O-N 3.44Å
153T88.1Confident77.9Confident57 Ų5774 Ų7435%0.3546%0.462SS..Hα-helixtrans-62.1-43.4173.7-51.30000111.4Y149 S150 V155 I156 L157Y149-T153 HydrophobicContact CD1-CG2 3.77Å; Y149-T153 HydrophobicContact CG-CG2 4.38Å; S150-T153 CarbonylContact O-C 3.55Å; S150-T153 WeakPolarHBondContact O-CA 3.3Å; S150-T153 VanDerWaalsContact O-CB 3.31Å; S150-T153 WeakPolarHBondContact O-CB 3.34Å; S150-T153 PolarHBondContact O-N 3.4Å; T153-V155 PolarHBondContact O-N 2.91Å; T153-I156 PolarHBondContact O-N 3Å; T153-L157 HydrophobicContact CG2-CD1 4.05Å; T153-L157 HydrophobicContact CG2-CG 4.34Å; T153-L157 WeakPolarHBondContact O-CB 3.4Å; T153-L157 VanDerWaalsContact O-CG 3.32Å; T153-L157 WeakPolarHBondContact O-CG 3.15Å; T153-L157 PolarHBondContact O-N 3.34Å
154S87.6Confident80.8Confident25 Ų2570.2 Ų70.218%0.17544%0.439CS..Hα-helixtrans-60.3-44.1176.7-54.40000112.1Y149 S150 L157 A158 L216Y149-S154 VanDerWaalsContact CB-OG 3.29Å; Y149-S154 WeakPolarHBondContact CB-OG 3.34Å; Y149-S154 PolarHBondContact O-OG 3.28Å; Y149-S154 VanDerWaalsContact O-OG 3.12Å; S150-S154 PolarHBondContact O-N 2.95Å; S150-S154 PolarHBondContact O-OG 3.49Å; S154-L157 PolarHBondContact O-N 2.88Å; S154-A158 VanDerWaalsContact O-CB 3.28Å; S154-A158 WeakPolarHBondContact O-CB 3.42Å; S154-A158 PolarHBondContact O-N 3.38Å; S154-L216 VanDerWaalsContact O-CD2 3.29Å; S154-L216 WeakPolarHBondContact O-CD2 3.29Å
155V91.1Very high83.7Confident90 Ų9067.3 Ų67.355%0.54542%0.415SS..Hα-helixtrans-64.2-43174.9168.60000111.6G151 T152 T153 A158 L159G151-V155 VanDerWaalsContact O-CG2 3.31Å; G151-V155 WeakPolarHBondContact O-CG2 3.34Å; G151-V155 PolarHBondContact O-N 2.9Å; T152-V155 PolarHBondContact O-N 2.77Å; T153-V155 PolarHBondContact O-N 2.91Å; V155-A158 PolarHBondContact O-N 3.39Å; V155-L159 HydrophobicContact CG1-CD1 3.94Å; V155-L159 HydrophobicContact CG1-CG 4.5Å; V155-L159 WeakPolarHBondContact O-CB 3.12Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.28Å; V155-L159 PolarHBondContact O-N 3.08Å
156I92.6Very high86.5Confident97 Ų9768.5 Ų68.550%0.49741%0.406SS..Hα-helixtrans-62.9-45.6177.2-69.7163.3000110.9T152 T153 L159 L160T152-I156 WeakPolarHBondContact O-CD1 3.46Å; T152-I156 VanDerWaalsContact O-CG1 3.25Å; T152-I156 WeakPolarHBondContact O-CG1 3.47Å; T152-I156 PolarHBondContact O-N 3.44Å; T153-I156 PolarHBondContact O-N 3Å; I156-L159 PolarHBondContact O-N 2.97Å; I156-L160 HydrophobicContact CG2-CD1 3.81Å; I156-L160 HydrophobicContact CG2-CG 4.43Å; I156-L160 WeakPolarHBondContact O-CB 3.41Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 2.9Å
157L91.2Very high88.6Confident58 Ų5867.4 Ų67.430%0.30440%0.396SS..Hα-helixtrans-60.8-50176.3-72.9172.7000111.1Y149 T153 S154 L159 L160 T161 L216Y149-L157 HydrophobicContact CD1-CD1 3.9Å; Y149-L157 HydrophobicContact CD2-CD1 4.11Å; Y149-L157 HydrophobicContact CE1-CD1 3.92Å; Y149-L157 HydrophobicContact CE2-CD1 4.15Å; Y149-L157 HydrophobicContact CG-CD1 3.99Å; T153-L157 HydrophobicContact CG2-CD1 4.05Å; T153-L157 HydrophobicContact CG2-CG 4.34Å; T153-L157 WeakPolarHBondContact O-CB 3.4Å; T153-L157 VanDerWaalsContact O-CG 3.32Å; T153-L157 WeakPolarHBondContact O-CG 3.15Å; T153-L157 PolarHBondContact O-N 3.34Å; S154-L157 PolarHBondContact O-N 2.88Å; L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.22Å; L157-L160 PolarHBondContact O-N 3.44Å; L157-T161 WeakPolarHBondContact O-CG2 3.36Å; L157-T161 PolarHBondContact O-N 2.93Å; L157-T161 PolarHBondContact O-OG1 2.97Å; L157-L216 HydrophobicContact CB-CD2 4.24Å
158A92.9Very high90.5Very high32 Ų3264.4 Ų64.426%0.26438%0.378SS..Hα-helixtrans-56.9-42.517900000112.7S154 V155 T161 A162 L216S154-A158 VanDerWaalsContact O-CB 3.28Å; S154-A158 WeakPolarHBondContact O-CB 3.42Å; S154-A158 PolarHBondContact O-N 3.38Å; V155-A158 PolarHBondContact O-N 3.39Å; A158-T161 PolarHBondContact O-OG1 3.24Å; A158-A162 WeakPolarHBondContact O-CB 3.2Å; A158-A162 PolarHBondContact O-N 2.65Å; A158-L216 HydrophobicContact CB-CD1 3.63Å; A158-L216 HydrophobicContact CB-CD2 4.22Å
159L95Very high92.1Very high105 Ų10560.6 Ų60.655%0.5535%0.353SS..Hα-helixtrans-66.8-44.9176.7-71.3170.2000111.7V155 I156 L157 I163V155-L159 HydrophobicContact CG1-CD1 3.94Å; V155-L159 HydrophobicContact CG1-CG 4.5Å; V155-L159 WeakPolarHBondContact O-CB 3.12Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.28Å; V155-L159 PolarHBondContact O-N 3.08Å; I156-L159 PolarHBondContact O-N 2.97Å; L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.22Å; L159-I163 WeakPolarHBondContact O-CB 3.39Å; L159-I163 WeakPolarHBondContact O-CD1 3.47Å; L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 2.84Å
160L95.1Very high93.2Very high99 Ų9961.5 Ų61.552%0.51836%0.363SS..Hα-helixtrans-64.5-45.3179.4-72.1172000112.1I156 L157 I163 V164I156-L160 HydrophobicContact CG2-CD1 3.81Å; I156-L160 HydrophobicContact CG2-CG 4.43Å; I156-L160 WeakPolarHBondContact O-CB 3.41Å; I156-L160 VanDerWaalsContact O-CG 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.33Å; I156-L160 PolarHBondContact O-N 2.9Å; L157-L160 PolarHBondContact O-N 3.44Å; L160-I163 PolarHBondContact O-N 3.32Å; L160-V164 WeakPolarHBondContact O-CG2 3.36Å; L160-V164 PolarHBondContact O-N 3.08Å
161T94.5Very high93.8Very high14 Ų1458.5 Ų58.59%0.08634%0.344CS..Hα-helixtrans-70.6-36.8-179.863.10000111.9L157 A158 V164 S165 T212 W903L157-T161 WeakPolarHBondContact O-CG2 3.36Å; L157-T161 PolarHBondContact O-N 2.93Å; L157-T161 PolarHBondContact O-OG1 2.97Å; A158-T161 PolarHBondContact O-OG1 3.24Å; T161-V164 PolarHBondContact O-N 3.17Å; T161-S165 WeakPolarHBondContact O-CB 3.37Å; T161-S165 PolarHBondContact O-N 2.75Å; T161-T212 VanDerWaalsContact CB-OG1 3.25Å; T161-T212 WeakPolarHBondContact CB-OG1 3.24Å; T161-T212 WeakPolarHBondContact OG1-CG2 3.48Å; T161-T212 PolarHBondContact OG1-OG1 3.12Å; T161-W903 HydrophobicContact CG2-CD2 4.24Å; T161-W903 HydrophobicContact CG2-CE3 4.41Å; T161-W903 HydrophobicContact CG2-CH2 3.53Å; T161-W903 HydrophobicContact CG2-CZ2 3.28Å; T161-W903 HydrophobicContact CG2-CZ3 4.08Å
162A95.7Very high94.5Very high52 Ų5256 Ų5643%0.4332%0.319SS..Hα-helixtrans-62.5-40.317200000112.4A158 F166A158-A162 WeakPolarHBondContact O-CB 3.2Å; A158-A162 PolarHBondContact O-N 2.65Å; A162-F166 VanDerWaalsContact O-CB 3.3Å; A162-F166 WeakPolarHBondContact O-CB 3.25Å; A162-F166 PolarHBondContact O-N 3.19Å
163I96.6Very high94.8Very high94 Ų9454.7 Ų54.748%0.48231%0.307SS..Hα-helixtrans-64.8-44.9175-71.9164.4000110.9L159 L160 F166 I167L159-I163 WeakPolarHBondContact O-CB 3.39Å; L159-I163 WeakPolarHBondContact O-CD1 3.47Å; L159-I163 WeakPolarHBondContact O-CG1 3.45Å; L159-I163 PolarHBondContact O-N 2.84Å; L160-I163 PolarHBondContact O-N 3.32Å; I163-F166 PolarHBondContact O-N 3.47Å; I163-I167 HydrophobicContact CG2-CD1 3.71Å; I163-I167 HydrophobicContact CG2-CG1 4.49Å; I163-I167 WeakPolarHBondContact O-CB 3.35Å; I163-I167 VanDerWaalsContact O-CG1 3.26Å; I163-I167 WeakPolarHBondContact O-CG1 3.46Å; I163-I167 PolarHBondContact O-N 3.27Å
164V96.7Very high95.2Very high30 Ų3053.3 Ų53.318%0.18230%0.298CS..Hα-helixtrans-63.3-44.5177169.30000111.4L160 T161 I167 T168 M208 W903 M907 P910L160-V164 WeakPolarHBondContact O-CG2 3.36Å; L160-V164 PolarHBondContact O-N 3.08Å; T161-V164 PolarHBondContact O-N 3.17Å; V164-I167 PolarHBondContact O-N 3.09Å; V164-T168 WeakPolarHBondContact O-CB 3.36Å; V164-T168 PolarHBondContact O-N 2.8Å; V164-T168 PolarHBondContact O-OG1 2.76Å; V164-M208 HydrophobicContact CG1-CE 3.88Å; V164-M208 HydrophobicContact CG1-SD 4.01Å; V164-W903 HydrophobicContact CG1-CZ3 4.33Å; V164-M907 HydrophobicContact CG1-SD 3.71Å; V164-M907 HydrophobicContact CG2-SD 4.03Å; V164-P910 HydrophobicContact CG1-CG 4.37Å
165S97.5Very high95.5Very high7 Ų752.1 Ų52.15%0.04929%0.289CS..Hα-helixtrans-56.2-53.1174.1174.50000111.5T161 I167 T168 I169 G204 N209T161-S165 WeakPolarHBondContact O-CB 3.37Å; T161-S165 PolarHBondContact O-N 2.75Å; S165-I167 PolarHBondContact O-N 3.38Å; S165-T168 WeakPolarHBondContact O-CB 3.48Å; S165-T168 PolarHBondContact O-N 2.82Å; S165-I169 WeakPolarHBondContact O-CG1 3.18Å; S165-I169 PolarHBondContact O-N 2.89Å; S165-G204 PolarHBondContact OG-O 2.95Å; S165-G204 VanDerWaalsContact OG-O 3.04Å; S165-N209 WeakPolarHBondContact CB-OD1 3.5Å; S165-N209 PolarHBondContact OG-ND2 3.48Å; S165-N209 PolarHBondContact OG-OD1 2.96Å
166F97.5Very high95.8Very high137 Ų13748.9 Ų48.960%0.60127%0.269SS*.Hα-helixtrans-59.2-47.7177.8-179.7-98.4000113.1A162 I163 T168 I169 V170A162-F166 VanDerWaalsContact O-CB 3.3Å; A162-F166 WeakPolarHBondContact O-CB 3.25Å; A162-F166 PolarHBondContact O-N 3.19Å; I163-F166 PolarHBondContact O-N 3.47Å; F166-T168 VanDerWaalsContact C-N 3.29Å; F166-T168 PolarHBondContact O-N 3.1Å; F166-I169 PolarHBondContact O-N 3.4Å; F166-V170 HydrophobicContact CD1-CG2 4.38Å; F166-V170 HydrophobicContact CD2-CG2 4.11Å; F166-V170 HydrophobicContact CE1-CG2 4.08Å; F166-V170 HydrophobicContact CE2-CG2 3.79Å; F166-V170 HydrophobicContact CG-CG2 4.4Å; F166-V170 HydrophobicContact CZ-CG2 3.78Å; F166-V170 WeakPolarHBondContact O-CB 3.43Å; F166-V170 WeakPolarHBondContact O-CG2 3.44Å; F166-V170 PolarHBondContact O-N 3.48Å
167I96.7Very high95.8Very high69 Ų6947.7 Ų47.735%0.35426%0.263SS..Hα-helixtrans-61.3-39.9177.5-70.5169.1000110.9I163 V164 S165 G171 P910 F914I163-I167 HydrophobicContact CG2-CD1 3.71Å; I163-I167 HydrophobicContact CG2-CG1 4.49Å; I163-I167 WeakPolarHBondContact O-CB 3.35Å; I163-I167 VanDerWaalsContact O-CG1 3.26Å; I163-I167 WeakPolarHBondContact O-CG1 3.46Å; I163-I167 PolarHBondContact O-N 3.27Å; V164-I167 PolarHBondContact O-N 3.09Å; S165-I167 PolarHBondContact O-N 3.38Å; I167-G171 WeakPolarHBondContact O-CA 3.25Å; I167-G171 PolarHBondContact O-N 3.04Å; I167-P910 HydrophobicContact CG2-CB 4.19Å; I167-F914 HydrophobicContact CG2-CE2 4.27Å; I167-F914 HydrophobicContact CG2-CZ 4.39Å
168T97.7Very high95.9Very high0 Ų045 Ų450%025%0.248CC..Hα-helixtrans-64.8-48.1179.3-58.10000111.7V164 S165 F166 N172 D200 M208 P910V164-T168 WeakPolarHBondContact O-CB 3.36Å; V164-T168 PolarHBondContact O-N 2.8Å; V164-T168 PolarHBondContact O-OG1 2.76Å; S165-T168 WeakPolarHBondContact O-CB 3.48Å; S165-T168 PolarHBondContact O-N 2.82Å; F166-T168 VanDerWaalsContact C-N 3.29Å; F166-T168 PolarHBondContact O-N 3.1Å; T168-N172 WeakPolarHBondContact O-CB 3.19Å; T168-N172 PolarHBondContact O-N 3.22Å; T168-N172 PolarHBondContact O-ND2 3.39Å; T168-D200 VanDerWaalsContact CG2-O 3.31Å; T168-D200 WeakPolarHBondContact CG2-O 3.11Å; T168-M208 HydrophobicContact CG2-CE 4.05Å; T168-M208 HydrophobicContact CG2-SD 4.42Å; T168-M208 WeakPolarHBondContact OG1-CE 3.3Å; T168-P910 WeakPolarHBondContact OG1-CB 3.31Å; T168-P910 WeakPolarHBondContact OG1-CD 3.24Å
169I98.2Very high95.9Very high41 Ų4143.7 Ų43.721%0.2124%0.237CC..Hα-helixtrans-64.1-57.2178.9-63.5162.8000109.8S165 F166 G171 N172 I173 F205S165-I169 WeakPolarHBondContact O-CG1 3.18Å; S165-I169 PolarHBondContact O-N 2.89Å; F166-I169 PolarHBondContact O-N 3.4Å; I169-G171 PolarHBondContact O-N 2.97Å; I169-N172 PolarHBondContact O-N 2.9Å; I169-I173 HydrophobicContact CG2-CG1 4.23Å; I169-I173 WeakPolarHBondContact O-CB 3.26Å; I169-I173 WeakPolarHBondContact O-CG1 3.41Å; I169-I173 PolarHBondContact O-N 3.44Å; I169-F205 HydrophobicContact CD1-CB 4.34Å; I169-F205 HydrophobicContact CD1-CD2 4.34Å
170V96.9Very high95.7Very high58 Ų5844.6 Ų44.635%0.35224%0.237SC..Hα-helixtrans-62.3-43.6-175.9174.70000111.4F166 N172 L174F166-V170 HydrophobicContact CD1-CG2 4.38Å; F166-V170 HydrophobicContact CD2-CG2 4.11Å; F166-V170 HydrophobicContact CE1-CG2 4.08Å; F166-V170 HydrophobicContact CE2-CG2 3.79Å; F166-V170 HydrophobicContact CG-CG2 4.4Å; F166-V170 HydrophobicContact CZ-CG2 3.78Å; F166-V170 WeakPolarHBondContact O-CB 3.43Å; F166-V170 WeakPolarHBondContact O-CG2 3.44Å; F166-V170 PolarHBondContact O-N 3.48Å; V170-N172 PolarHBondContact O-N 3.47Å; V170-L174 HydrophobicContact CG1-CD1 4.12Å; V170-L174 WeakPolarHBondContact O-CB 3.26Å; V170-L174 VanDerWaalsContact O-CG 3.3Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.42Å
171G96Very high95.4Very high14 Ų1441.8 Ų41.814%0.14422%0.223CC..Hα-helixtrans-61.5-42.8-18000000113.2I167 I169 L174 V175 P913I167-G171 WeakPolarHBondContact O-CA 3.25Å; I167-G171 PolarHBondContact O-N 3.04Å; I169-G171 PolarHBondContact O-N 2.97Å; G171-L174 PolarHBondContact O-N 3.29Å; G171-V175 PolarHBondContact O-N 2.91Å; G171-P913 WeakPolarHBondContact O-CG 3.25Å
172N97.2Very high95.1Very high0 Ų042.4 Ų42.40%023%0.225CC..Hα-helixtrans-82.7-29.8-179.3-72.6-65.2000113T168 I169 V170 L174 V175 L176 A197 D200 V201 S909 P913T168-N172 WeakPolarHBondContact O-CB 3.19Å; T168-N172 PolarHBondContact O-N 3.22Å; T168-N172 PolarHBondContact O-ND2 3.39Å; I169-N172 PolarHBondContact O-N 2.9Å; V170-N172 PolarHBondContact O-N 3.47Å; N172-L174 VanDerWaalsContact C-N 3.29Å; N172-L174 PolarHBondContact O-N 2.71Å; N172-V175 WeakPolarHBondContact O-CB 3.35Å; N172-V175 PolarHBondContact O-N 3.35Å; N172-V175 VanDerWaalsContact O-N 3.13Å; N172-L176 WeakPolarHBondContact O-CG 3.2Å; N172-L176 PolarHBondContact O-N 2.91Å; N172-A197 HydrophobicContact CB-CB 4.13Å; N172-D200 HydrophobicContact CB-CB 4.32Å; N172-V201 HydrophobicContact CB-CG2 3.71Å; N172-S909 PolarHBondContact ND2-O 3.49Å; N172-P913 WeakPolarHBondContact OD1-CD 3.24Å; N172-P913 WeakPolarHBondContact OD1-CG 3.49Å
173I97.1Very high94.7Very high69 Ų6948.3 Ų48.335%0.35424%0.236SC..Hα-helixtrans-59.2-40.3165.3-70.5-69.4000110.8I169 V175 L176 I177 V201I169-I173 HydrophobicContact CG2-CG1 4.23Å; I169-I173 WeakPolarHBondContact O-CB 3.26Å; I169-I173 WeakPolarHBondContact O-CG1 3.41Å; I169-I173 PolarHBondContact O-N 3.44Å; I173-V175 VanDerWaalsContact C-N 3.34Å; I173-V175 PolarHBondContact O-N 2.94Å; I173-L176 HydrophobicContact CD1-CD1 4.42Å; I173-L176 PolarHBondContact O-N 3.1Å; I173-I177 HydrophobicContact CG2-CD1 3.66Å; I173-I177 HydrophobicContact CG2-CG1 4.25Å; I173-I177 WeakPolarHBondContact O-CB 3.37Å; I173-I177 VanDerWaalsContact O-CG1 3.3Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 3.3Å; I173-V201 HydrophobicContact CD1-CG1 4.35Å; I173-V201 HydrophobicContact CD1-CG2 4.06Å; I173-V201 HydrophobicContact CG1-CG2 3.96Å
174L94.8Very high94.3Very high29 Ų2944.9 Ų44.915%0.15222%0.222CC..Hα-helixtrans-64.7-32.8173.8-74.2169000113.3V170 G171 N172 S178 F927 I930 F931V170-L174 HydrophobicContact CG1-CD1 4.12Å; V170-L174 WeakPolarHBondContact O-CB 3.26Å; V170-L174 VanDerWaalsContact O-CG 3.3Å; V170-L174 WeakPolarHBondContact O-CG 3.35Å; V170-L174 PolarHBondContact O-N 3.42Å; G171-L174 PolarHBondContact O-N 3.29Å; N172-L174 VanDerWaalsContact C-N 3.29Å; N172-L174 PolarHBondContact O-N 2.71Å; L174-S178 VanDerWaalsContact O-CB 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.36Å; L174-S178 PolarHBondContact O-N 2.82Å; L174-S178 PolarHBondContact O-OG 2.79Å; L174-F927 HydrophobicContact CB-CE1 4.45Å; L174-I930 HydrophobicContact CD2-CG2 3.9Å; L174-F931 HydrophobicContact CD1-CE1 4.19Å; L174-F931 HydrophobicContact CD1-CZ 3.71Å
175V95.2Very high93.9Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-64.7-46.7171.1175.20000110.6G171 N172 I173 S178 F179 I193 A197 P913 Y916 F923 F927G171-V175 PolarHBondContact O-N 2.91Å; N172-V175 WeakPolarHBondContact O-CB 3.35Å; N172-V175 PolarHBondContact O-N 3.35Å; N172-V175 VanDerWaalsContact O-N 3.13Å; I173-V175 VanDerWaalsContact C-N 3.34Å; I173-V175 PolarHBondContact O-N 2.94Å; V175-S178 PolarHBondContact O-N 2.91Å; V175-F179 PolarHBondContact O-N 2.92Å; V175-I193 HydrophobicContact CG1-CG2 3.78Å; V175-A197 HydrophobicContact CB-CB 3.97Å; V175-A197 HydrophobicContact CG1-CB 3.78Å; V175-P913 HydrophobicContact CG2-CB 4.4Å; V175-P913 HydrophobicContact CG2-CG 4.32Å; V175-Y916 HydrophobicContact CG1-CD2 4.36Å; V175-Y916 HydrophobicContact CG1-CE2 4.47Å; V175-Y916 HydrophobicContact CG2-CD2 3.87Å; V175-Y916 HydrophobicContact CG2-CE2 4.44Å; V175-F923 HydrophobicContact CG1-CE1 4.06Å; V175-F923 HydrophobicContact CG1-CZ 4.38Å; V175-F927 HydrophobicContact CG2-CZ 3.87Å
176L95.9Very high93.5Very high21 Ų2149 Ų4911%0.1123%0.233CC..Hα-helixtrans-64-50.1179-69170.8000111.8N172 I173 S178 F179 F180 A194 A197 V198 V201N172-L176 WeakPolarHBondContact O-CG 3.2Å; N172-L176 PolarHBondContact O-N 2.91Å; I173-L176 HydrophobicContact CD1-CD1 4.42Å; I173-L176 PolarHBondContact O-N 3.1Å; L176-S178 VanDerWaalsContact C-N 3.28Å; L176-S178 PolarHBondContact O-N 3.28Å; L176-F179 PolarHBondContact O-N 3.49Å; L176-F179 VanDerWaalsContact O-N 3.1Å; L176-F180 HydrophobicContact CB-CD2 4.42Å; L176-F180 HydrophobicContact CB-CE2 4.29Å; L176-F180 HydrophobicContact CD2-CE2 4.38Å; L176-F180 WeakPolarHBondContact O-CD2 3.44Å; L176-F180 PolarHBondContact O-N 3.48Å; L176-A194 HydrophobicContact CD2-CB 4.24Å; L176-A194 WeakPolarHBondContact CD2-O 3.37Å; L176-A197 HydrophobicContact CD1-CB 4.42Å; L176-A197 HydrophobicContact CD2-CB 3.89Å; L176-A197 HydrophobicContact CG-CB 3.79Å; L176-V198 HydrophobicContact CD1-CG2 4.16Å; L176-V198 HydrophobicContact CD2-CG2 3.83Å; L176-V201 HydrophobicContact CD1-CG2 4.39Å
177I93.3Very high93.1Very high73 Ų7345.2 Ų45.237%0.37422%0.221SC..Hα-helixtrans-54-48173.5-69168.6000109.7I173 F179 F180 V181 I930I173-I177 HydrophobicContact CG2-CD1 3.66Å; I173-I177 HydrophobicContact CG2-CG1 4.25Å; I173-I177 WeakPolarHBondContact O-CB 3.37Å; I173-I177 VanDerWaalsContact O-CG1 3.3Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 3.3Å; I177-F179 VanDerWaalsContact C-N 3.31Å; I177-F179 PolarHBondContact O-N 3.01Å; I177-F180 PolarHBondContact O-N 2.88Å; I177-V181 HydrophobicContact CG2-CG2 3.92Å; I177-V181 VanDerWaalsContact O-CB 3.28Å; I177-V181 WeakPolarHBondContact O-CB 3.34Å; I177-V181 WeakPolarHBondContact O-CG2 3.36Å; I177-V181 PolarHBondContact O-N 2.89Å; I177-I930 HydrophobicContact CG2-CD1 4.06Å
178S92.6Very high92.6Very high0 Ų042.9 Ų42.90%021%0.213CC..Hα-helixtrans-59.7-39.7178.7-650000112.9L174 V175 L176 E182 F927 I930L174-S178 VanDerWaalsContact O-CB 3.24Å; L174-S178 WeakPolarHBondContact O-CB 3.36Å; L174-S178 PolarHBondContact O-N 2.82Å; L174-S178 PolarHBondContact O-OG 2.79Å; V175-S178 PolarHBondContact O-N 2.91Å; L176-S178 VanDerWaalsContact C-N 3.28Å; L176-S178 PolarHBondContact O-N 3.28Å; S178-E182 VanDerWaalsContact O-CB 3.3Å; S178-E182 WeakPolarHBondContact O-CB 3.35Å; S178-E182 PolarHBondContact O-N 3.37Å; S178-F927 VanDerWaalsContact OG-CD1 3.27Å; S178-F927 WeakPolarHBondContact OG-CD1 3.35Å; S178-F927 VanDerWaalsContact OG-CE1 3.28Å; S178-F927 WeakPolarHBondContact OG-CE1 3.49Å; S178-I930 WeakPolarHBondContact OG-CD1 3.34Å
179F93Very high92.1Very high6 Ų643.3 Ų43.33%0.02622%0.216CC..Hα-helixtrans-68.6-43.7177.2177.5-96.4000112.8V175 L176 I177 R186 N190 Y191 A194V175-F179 PolarHBondContact O-N 2.92Å; L176-F179 PolarHBondContact O-N 3.49Å; L176-F179 VanDerWaalsContact O-N 3.1Å; I177-F179 VanDerWaalsContact C-N 3.31Å; I177-F179 PolarHBondContact O-N 3.01Å; F179-R186 VanDerWaalsContact O-CG 3.27Å; F179-R186 WeakPolarHBondContact O-CG 3.34Å; F179-N190 HydrophobicContact CD2-CB 4.06Å; F179-N190 HydrophobicContact CE2-CB 3.91Å; F179-Y191 HydrophobicContact CE1-CD1 4.21Å; F179-Y191 AromaticContact CE1-CE1 3.99Å; F179-Y191 HydrophobicContact CE1-CE1 3.99Å; F179-Y191 AromaticContact CZ-CD1 3.64Å; F179-Y191 HydrophobicContact CZ-CD1 3.64Å; F179-Y191 HydrophobicContact CZ-CD2 4.19Å; F179-Y191 AromaticContact CZ-CE1 3.57Å; F179-Y191 HydrophobicContact CZ-CE1 3.57Å; F179-Y191 HydrophobicContact CZ-CE2 4.16Å; F179-Y191 AromaticContact CZ-CG 3.95Å; F179-Y191 HydrophobicContact CZ-CG 3.95Å; F179-Y191 AromaticContact CZ-CZ 3.85Å; F179-A194 HydrophobicContact CD1-CB 3.91Å; F179-A194 HydrophobicContact CD2-CB 4.35Å; F179-A194 HydrophobicContact CE1-CB 4.12Å; F179-A194 HydrophobicContact CG-CB 4.04Å; F179-A194 HydrophobicContact CZ-CB 4.42Å
180F91.1Very high91.8Very high124 Ų12441.8 Ų41.854%0.54421%0.208SC..Hα-helixtrans-71.2-41.1179.3-70.6-61.1000112.2L176 I177 R186L176-F180 HydrophobicContact CB-CD2 4.42Å; L176-F180 HydrophobicContact CB-CE2 4.29Å; L176-F180 HydrophobicContact CD2-CE2 4.38Å; L176-F180 WeakPolarHBondContact O-CD2 3.44Å; L176-F180 PolarHBondContact O-N 3.48Å; I177-F180 PolarHBondContact O-N 2.88Å; F180-R186 VanDerWaalsContact O-CZ 3.29Å; F180-R186 PolarHBondContact O-NE 3.39Å; F180-R186 VanDerWaalsContact O-NE 3.14Å; F180-R186 PolarHBondContact O-NH2 3.33Å
181V88.3Confident91.7Very high40 Ų4041.2 Ų41.224%0.24220%0.2CC..Hα-helixtrans-74.9-55-177.1175.70000111.9I177 R183 L938I177-V181 HydrophobicContact CG2-CG2 3.92Å; I177-V181 VanDerWaalsContact O-CB 3.28Å; I177-V181 WeakPolarHBondContact O-CB 3.34Å; I177-V181 WeakPolarHBondContact O-CG2 3.36Å; I177-V181 PolarHBondContact O-N 2.89Å; V181-R183 PolarHBondContact O-N 3.21Å; V181-R183 VanDerWaalsContact O-N 3.12Å; V181-L938 HydrophobicContact CB-CD2 4.25Å; V181-L938 HydrophobicContact CG1-CD2 3.77Å; V181-L938 HydrophobicContact CG1-CG 3.79Å; V181-L938 HydrophobicContact CG2-CD2 3.48Å; V181-L938 VanDerWaalsContact CG2-CD2 3.48Å; V181-L938 HydrophobicContact CG2-CG 4.33Å
182E88.4Confident91.6Very high26 Ų2640.6 Ų40.612%0.12119%0.193CC..  trans-79.4103.3-172.8-179.150.8-93.100110.6S178 A184 L185 T926 R929S178-E182 VanDerWaalsContact O-CB 3.3Å; S178-E182 WeakPolarHBondContact O-CB 3.35Å; S178-E182 PolarHBondContact O-N 3.37Å; E182-A184 HydrophobicContact CG-CB 4.13Å; E182-A184 PolarHBondContact O-N 2.97Å; E182-A184 VanDerWaalsContact O-N 3.11Å; E182-A184 WeakPolarHBondContact OE1-CB 3.46Å; E182-A184 PolarHBondContact OE1-N 3.02Å; E182-L185 HydrophobicContact CB-CB 4.2Å; E182-L185 HydrophobicContact CB-CD1 3.99Å; E182-L185 HydrophobicContact CB-CG 4.09Å; E182-L185 HydrophobicContact CG-CB 4.24Å; E182-L185 HydrophobicContact CG-CD1 4.14Å; E182-L185 HydrophobicContact CG-CG 3.85Å; E182-L185 WeakPolarHBondContact O-CA 3.4Å; E182-L185 WeakPolarHBondContact O-CB 3.47Å; E182-L185 PolarHBondContact O-N 3.44Å; E182-T926 HydrophobicContact CB-CG2 4Å; E182-R929 IonicContact OE2-CZ 3.39Å; E182-R929 IonicContact OE2-NH1 3.75Å; E182-R929 PolarHBondContact OE2-NH1 3.27Å; E182-R929 IonicContact OE2-NH2 3.69Å; E182-R929 PolarHBondContact OE2-NH2 2.89Å
183R88.2Confident91.4Very high177 Ų17741.2 Ų41.267%0.66820%0.196SC*.G310 helixtrans-56.3-30.3178.4-59-175-168.6-173.95.5111.8V181 L185 R186V181-R183 PolarHBondContact O-N 3.21Å; V181-R183 VanDerWaalsContact O-N 3.12Å; R183-L185 PolarHBondContact O-N 2.94Å; R183-R186 PolarHBondContact O-N 3.13Å
184A88.1Confident91.3Very high22 Ų2238.4 Ų38.418%0.18218%0.183CC..G310 helixtrans-71.3-10.9174.800000114.7E182 V782 Q922E182-A184 HydrophobicContact CG-CB 4.13Å; E182-A184 PolarHBondContact O-N 2.97Å; E182-A184 VanDerWaalsContact O-N 3.11Å; E182-A184 WeakPolarHBondContact OE1-CB 3.46Å; E182-A184 PolarHBondContact OE1-N 3.02Å; A184-V782 HydrophobicContact CB-CG1 4.19Å; A184-Q922 PolarHBondContact O-NE2 3.4Å
185L88.3Confident91.4Very high0 Ų037.4 Ų37.40%018%0.179CC..G310 helixtrans-95.4-14.3173.2-75.4178.4000113.7E182 R183 T187 N190 Q922 F923E182-L185 HydrophobicContact CB-CB 4.2Å; E182-L185 HydrophobicContact CB-CD1 3.99Å; E182-L185 HydrophobicContact CB-CG 4.09Å; E182-L185 HydrophobicContact CG-CB 4.24Å; E182-L185 HydrophobicContact CG-CD1 4.14Å; E182-L185 HydrophobicContact CG-CG 3.85Å; E182-L185 WeakPolarHBondContact O-CA 3.4Å; E182-L185 WeakPolarHBondContact O-CB 3.47Å; E182-L185 PolarHBondContact O-N 3.44Å; R183-L185 PolarHBondContact O-N 2.94Å; L185-T187 PolarHBondContact O-N 3.43Å; L185-N190 VanDerWaalsContact O-CB 3.27Å; L185-N190 WeakPolarHBondContact O-CB 3.36Å; L185-N190 PolarHBondContact O-ND2 2.85Å; L185-Q922 HydrophobicContact CD2-CB 3.57Å; L185-Q922 HydrophobicContact CG-CB 4.41Å; L185-F923 HydrophobicContact CD1-CD1 3.7Å; L185-F923 HydrophobicContact CD1-CE1 3.72Å; L185-F923 HydrophobicContact CD1-CG 4.13Å; L185-F923 HydrophobicContact CD1-CZ 4.14Å; L185-F923 HydrophobicContact CD2-CD2 4.01Å; L185-F923 HydrophobicContact CD2-CE2 3.94Å; L185-F923 HydrophobicContact CD2-CG 4.34Å; L185-F923 HydrophobicContact CD2-CZ 4.22Å
186R89.7Confident91.4Very high122 Ų12237.4 Ų37.446%0.4618%0.179SC..  trans-74.164.3177.3-59-171.4-163.4175.85.3112.3F179 F180 R183F179-R186 VanDerWaalsContact O-CG 3.27Å; F179-R186 WeakPolarHBondContact O-CG 3.34Å; F180-R186 VanDerWaalsContact O-CZ 3.29Å; F180-R186 PolarHBondContact O-NE 3.39Å; F180-R186 VanDerWaalsContact O-NE 3.14Å; F180-R186 PolarHBondContact O-NH2 3.33Å; R183-R186 PolarHBondContact O-N 3.13Å
187T88.7Confident91.5Very high58 Ų5836.4 Ų36.436%0.35617%0.173SC..  trans-113.1154.3-178.478.50000111.9L185 S189 N190 Y191L185-T187 PolarHBondContact O-N 3.43Å; T187-S189 VanDerWaalsContact C-N 3.27Å; T187-S189 PolarHBondContact O-N 2.87Å; T187-S189 VanDerWaalsContact O-N 3.09Å; T187-N190 WeakPolarHBondContact O-CA 3.28Å; T187-N190 WeakPolarHBondContact O-CB 3.48Å; T187-N190 PolarHBondContact O-N 2.87Å; T187-N190 VanDerWaalsContact OG1-CG 3.26Å; T187-N190 PolarHBondContact OG1-ND2 3.22Å; T187-Y191 PolarHBondContact O-N 3.33Å
188A86.9Confident91.7Very high21 Ų2135.6 Ų35.617%0.17417%0.172CC..THydrogen-bonded Turntrans-49.3-38.3-176.200000115.2R266 I271A188-R266 HydrophobicContact CB-CG 4.24Å; A188-I271 HydrophobicContact CB-CG1 4.17Å; A188-I271 WeakPolarHBondContact O-CG2 3.49Å
189S85.8Confident92Very high8 Ų835.6 Ų35.66%0.05617%0.172CC..THydrogen-bonded Turntrans-80.1-15.7177.7-59.90000114.2T187 D251 R252 R266T187-S189 VanDerWaalsContact C-N 3.27Å; T187-S189 PolarHBondContact O-N 2.87Å; T187-S189 VanDerWaalsContact O-N 3.09Å; S189-D251 PolarHBondContact OG-OD1 3.41Å; S189-D251 PolarHBondContact OG-OD2 2.86Å; S189-R252 PolarHBondContact OG-NH1 3.29Å; S189-R266 PolarHBondContact OG-NH1 3.17Å
190N91.6Very high92.2Very high9 Ų935.3 Ų35.35%0.04817%0.171CC..Hα-helixtrans-90.7-16.1-176.6-64.1-5000112.1F179 L185 T187 F192 I193 A194F179-N190 HydrophobicContact CD2-CB 4.06Å; F179-N190 HydrophobicContact CE2-CB 3.91Å; L185-N190 VanDerWaalsContact O-CB 3.27Å; L185-N190 WeakPolarHBondContact O-CB 3.36Å; L185-N190 PolarHBondContact O-ND2 2.85Å; T187-N190 WeakPolarHBondContact O-CA 3.28Å; T187-N190 WeakPolarHBondContact O-CB 3.48Å; T187-N190 PolarHBondContact O-N 2.87Å; T187-N190 VanDerWaalsContact OG1-CG 3.26Å; T187-N190 PolarHBondContact OG1-ND2 3.22Å; N190-F192 PolarHBondContact O-N 2.86Å; N190-I193 WeakPolarHBondContact O-CA 3.33Å; N190-I193 WeakPolarHBondContact O-CB 3.23Å; N190-I193 PolarHBondContact O-N 3.44Å; N190-A194 PolarHBondContact O-N 2.95Å
191Y94.6Very high92.5Very high47 Ų4730.7 Ų30.718%0.18415%0.152CC..Hα-helixtrans-58.3-34.8167.6-85.1-75.3000112.4F179 T187 A194 S195 E268 I271 L272F179-Y191 HydrophobicContact CE1-CD1 4.21Å; F179-Y191 AromaticContact CE1-CE1 3.99Å; F179-Y191 HydrophobicContact CE1-CE1 3.99Å; F179-Y191 AromaticContact CZ-CD1 3.64Å; F179-Y191 HydrophobicContact CZ-CD1 3.64Å; F179-Y191 HydrophobicContact CZ-CD2 4.19Å; F179-Y191 AromaticContact CZ-CE1 3.57Å; F179-Y191 HydrophobicContact CZ-CE1 3.57Å; F179-Y191 HydrophobicContact CZ-CE2 4.16Å; F179-Y191 AromaticContact CZ-CG 3.95Å; F179-Y191 HydrophobicContact CZ-CG 3.95Å; F179-Y191 AromaticContact CZ-CZ 3.85Å; T187-Y191 PolarHBondContact O-N 3.33Å; Y191-A194 PolarHBondContact O-N 3.5Å; Y191-S195 PolarHBondContact O-N 3.47Å; Y191-E268 HydrophobicContact CE2-CG 3.99Å; Y191-E268 WeakPolarHBondContact CE2-OE1 3.26Å; Y191-E268 VanDerWaalsContact CZ-OE1 3.23Å; Y191-E268 PolarHBondContact OH-OE1 2.99Å; Y191-I271 HydrophobicContact CD2-CG2 4.4Å; Y191-I271 HydrophobicContact CG-CG2 4.23Å; Y191-L272 HydrophobicContact CD1-CD2 3.85Å; Y191-L272 HydrophobicContact CE1-CD2 3.88Å
192F94.1Very high93Very high1 Ų130.8 Ų30.80%0.00415%0.151CC..Hα-helixtrans-69.1-34.8171.9-56.5-54.3000112.6N190 A194 S195 L196 T244 I247 I248 D251 I271 L274 V275N190-F192 PolarHBondContact O-N 2.86Å; F192-A194 VanDerWaalsContact C-N 3.34Å; F192-S195 PolarHBondContact O-N 3.17Å; F192-L196 PolarHBondContact O-N 2.92Å; F192-T244 HydrophobicContact CB-CG2 4.17Å; F192-T244 WeakPolarHBondContact O-CG2 3.44Å; F192-I247 HydrophobicContact CD1-CG2 3.88Å; F192-I247 HydrophobicContact CD2-CG2 4.4Å; F192-I247 HydrophobicContact CE1-CG2 3.35Å; F192-I247 HydrophobicContact CE2-CG2 3.92Å; F192-I247 HydrophobicContact CG-CG2 4.39Å; F192-I247 HydrophobicContact CZ-CG2 3.36Å; F192-I248 HydrophobicContact CB-CD1 3.91Å; F192-I248 HydrophobicContact CB-CG1 3.48Å; F192-I248 VanDerWaalsContact CB-CG1 3.48Å; F192-I248 HydrophobicContact CD2-CG1 4.36Å; F192-I248 HydrophobicContact CG-CG1 4.17Å; F192-D251 HydrophobicContact CE2-CB 4.15Å; F192-I271 HydrophobicContact CE1-CG2 4.05Å; F192-I271 HydrophobicContact CE2-CD1 3.68Å; F192-I271 HydrophobicContact CE2-CG2 4.35Å; F192-I271 HydrophobicContact CZ-CD1 3.5Å; F192-I271 VanDerWaalsContact CZ-CD1 3.5Å; F192-I271 HydrophobicContact CZ-CG2 3.91Å; F192-L274 HydrophobicContact CE1-CB 4.15Å; F192-L274 HydrophobicContact CZ-CB 4.41Å; F192-L274 HydrophobicContact CZ-CD1 4.26Å; F192-V275 HydrophobicContact CD1-CG2 3.71Å; F192-V275 HydrophobicContact CE1-CG2 3.87Å
193I93.4Very high93.5Very high13 Ų1329.6 Ų29.67%0.06715%0.146CC..Hα-helixtrans-65.8-39.4173.6-66.3173.3000110.5V175 N190 L196 A197 Y916 F923V175-I193 HydrophobicContact CG1-CG2 3.78Å; N190-I193 WeakPolarHBondContact O-CA 3.33Å; N190-I193 WeakPolarHBondContact O-CB 3.23Å; N190-I193 PolarHBondContact O-N 3.44Å; I193-L196 PolarHBondContact O-N 3.34Å; I193-A197 PolarHBondContact O-N 3.33Å; I193-Y916 HydrophobicContact CD1-CD1 4.26Å; I193-Y916 HydrophobicContact CD1-CE1 3.83Å; I193-Y916 HydrophobicContact CG1-CE1 3.87Å; I193-Y916 HydrophobicContact CG2-CD1 4.38Å; I193-Y916 HydrophobicContact CG2-CD2 4.17Å; I193-Y916 HydrophobicContact CG2-CE1 3.93Å; I193-Y916 HydrophobicContact CG2-CE2 3.66Å; I193-F923 HydrophobicContact CD1-CE2 4.21Å; I193-F923 HydrophobicContact CG2-CE2 4.25Å; I193-F923 HydrophobicContact CG2-CZ 3.93Å
194A95.5Very high93.9Very high10 Ų1021.1 Ų21.18%0.08311%0.114CC..Hα-helixtrans-64.6-44.617300000111.7L176 F179 N190 Y191 F192 L196 A197 V198L176-A194 HydrophobicContact CD2-CB 4.24Å; L176-A194 WeakPolarHBondContact CD2-O 3.37Å; F179-A194 HydrophobicContact CD1-CB 3.91Å; F179-A194 HydrophobicContact CD2-CB 4.35Å; F179-A194 HydrophobicContact CE1-CB 4.12Å; F179-A194 HydrophobicContact CG-CB 4.04Å; F179-A194 HydrophobicContact CZ-CB 4.42Å; N190-A194 PolarHBondContact O-N 2.95Å; Y191-A194 PolarHBondContact O-N 3.5Å; F192-A194 VanDerWaalsContact C-N 3.34Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.23Å; A194-A197 PolarHBondContact O-N 2.64Å; A194-V198 WeakPolarHBondContact O-CG2 3.4Å; A194-V198 PolarHBondContact O-N 2.93Å
195S96.8Very high94.3Very high7 Ų725.8 Ų25.85%0.04913%0.13CC..Hα-helixtrans-57.5-43.5175.2-170.60000112.3Y191 F192 V198 T199 W279Y191-S195 PolarHBondContact O-N 3.47Å; F192-S195 PolarHBondContact O-N 3.17Å; S195-V198 PolarHBondContact O-N 2.94Å; S195-T199 PolarHBondContact O-N 2.95Å; S195-T199 VanDerWaalsContact O-N 3.09Å; S195-W279 PolarHBondContact OG-NE1 3.43Å
196L95.6Very high94.7Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-62.4-44.6175.8-158.575.8000111.3F192 I193 A194 V198 T199 D200 S241 T244 V245 N912 Y916F192-L196 PolarHBondContact O-N 2.92Å; I193-L196 PolarHBondContact O-N 3.34Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-L196 PolarHBondContact O-N 3.23Å; L196-V198 VanDerWaalsContact C-N 3.25Å; L196-V198 PolarHBondContact O-N 3.37Å; L196-T199 WeakPolarHBondContact CA-OG1 3.29Å; L196-T199 PolarHBondContact O-N 3.27Å; L196-T199 PolarHBondContact O-OG1 2.85Å; L196-D200 VanDerWaalsContact O-CB 3.3Å; L196-D200 WeakPolarHBondContact O-CB 3.29Å; L196-D200 PolarHBondContact O-N 3.35Å; L196-D200 VanDerWaalsContact O-OD1 3.06Å; L196-S241 WeakPolarHBondContact CD1-O 3.36Å; L196-S241 VanDerWaalsContact CD1-OG 3.24Å; L196-S241 WeakPolarHBondContact CD1-OG 3.26Å; L196-T244 HydrophobicContact CB-CG2 4.04Å; L196-T244 HydrophobicContact CD1-CG2 3.94Å; L196-V245 HydrophobicContact CD1-CG2 3.95Å; L196-V245 HydrophobicContact CD2-CG2 4.5Å; L196-N912 HydrophobicContact CD2-CB 4.48Å; L196-N912 WeakPolarHBondContact CD2-ND2 3.39Å; L196-Y916 VanDerWaalsContact CD2-OH 3.25Å; L196-Y916 WeakPolarHBondContact CD2-OH 3.49Å
197A97.4Very high95.1Very high0 Ų023.2 Ų23.20%012%0.123CC..Hα-helixtrans-64.1-28.2176.600000113.1N172 V175 L176 I193 A194 V201N172-A197 HydrophobicContact CB-CB 4.13Å; V175-A197 HydrophobicContact CB-CB 3.97Å; V175-A197 HydrophobicContact CG1-CB 3.78Å; L176-A197 HydrophobicContact CD1-CB 4.42Å; L176-A197 HydrophobicContact CD2-CB 3.89Å; L176-A197 HydrophobicContact CG-CB 3.79Å; I193-A197 PolarHBondContact O-N 3.33Å; A194-A197 PolarHBondContact O-N 2.64Å; A197-V201 WeakPolarHBondContact O-CB 3.4Å; A197-V201 VanDerWaalsContact O-CG2 3.25Å; A197-V201 WeakPolarHBondContact O-CG2 3.41Å; A197-V201 PolarHBondContact O-N 3.38Å; A197-V201 VanDerWaalsContact O-N 3.12Å
198V98.1Very high95.4Very high57 Ų5720.5 Ų20.535%0.34511%0.106SC..Hα-helixtrans-71.1-45.9171.3-179.20000111.4L176 A194 S195 L196 D200 V201 L202 W279L176-V198 HydrophobicContact CD1-CG2 4.16Å; L176-V198 HydrophobicContact CD2-CG2 3.83Å; A194-V198 WeakPolarHBondContact O-CG2 3.4Å; A194-V198 PolarHBondContact O-N 2.93Å; S195-V198 PolarHBondContact O-N 2.94Å; L196-V198 VanDerWaalsContact C-N 3.25Å; L196-V198 PolarHBondContact O-N 3.37Å; V198-D200 VanDerWaalsContact C-N 3.29Å; V198-D200 PolarHBondContact O-N 3.37Å; V198-V201 PolarHBondContact O-N 3.43Å; V198-L202 PolarHBondContact O-N 3.46Å; V198-L202 VanDerWaalsContact O-N 3.12Å; V198-W279 HydrophobicContact CB-CH2 4.41Å; V198-W279 HydrophobicContact CB-CZ2 4.02Å; V198-W279 HydrophobicContact CG1-CH2 3.74Å; V198-W279 HydrophobicContact CG1-CZ2 3.76Å
199T97.8Very high95.9Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-60.6-41.3175.6500000111.8S195 L196 V201 L202 I203 T240 S241 W279S195-T199 PolarHBondContact O-N 2.95Å; S195-T199 VanDerWaalsContact O-N 3.09Å; L196-T199 WeakPolarHBondContact CA-OG1 3.29Å; L196-T199 PolarHBondContact O-N 3.27Å; L196-T199 PolarHBondContact O-OG1 2.85Å; T199-V201 VanDerWaalsContact C-N 3.34Å; T199-V201 PolarHBondContact O-N 2.86Å; T199-L202 PolarHBondContact O-N 3.12Å; T199-L202 VanDerWaalsContact O-N 3.17Å; T199-I203 WeakPolarHBondContact O-CG1 3.29Å; T199-I203 PolarHBondContact O-N 3.31Å; T199-T240 HydrophobicContact CG2-CG2 3.42Å; T199-T240 VanDerWaalsContact CG2-CG2 3.42Å; T199-S241 WeakPolarHBondContact OG1-CB 3.29Å; T199-W279 HydrophobicContact CG2-CH2 3.71Å; T199-W279 HydrophobicContact CG2-CZ2 3.55Å
200D97.7Very high96.4Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-70.9-31.5-175.9-65.17.1000111.4T168 N172 L196 V198 G204 S241 N912T168-D200 VanDerWaalsContact CG2-O 3.31Å; T168-D200 WeakPolarHBondContact CG2-O 3.11Å; N172-D200 HydrophobicContact CB-CB 4.32Å; L196-D200 VanDerWaalsContact O-CB 3.3Å; L196-D200 WeakPolarHBondContact O-CB 3.29Å; L196-D200 PolarHBondContact O-N 3.35Å; L196-D200 VanDerWaalsContact O-OD1 3.06Å; V198-D200 VanDerWaalsContact C-N 3.29Å; V198-D200 PolarHBondContact O-N 3.37Å; D200-G204 PolarHBondContact O-N 3.44Å; D200-S241 PolarHBondContact OD1-OG 3.08Å; D200-N912 PolarHBondContact OD2-ND2 3.49Å
201V98.3Very high96.6Very high26 Ų2625.1 Ų25.116%0.15812%0.123CC..Hα-helixtrans-67.5-40.4168.9166.90000111.9N172 I173 L176 A197 V198 T199 G204 F205N172-V201 HydrophobicContact CB-CG2 3.71Å; I173-V201 HydrophobicContact CD1-CG1 4.35Å; I173-V201 HydrophobicContact CD1-CG2 4.06Å; I173-V201 HydrophobicContact CG1-CG2 3.96Å; L176-V201 HydrophobicContact CD1-CG2 4.39Å; A197-V201 WeakPolarHBondContact O-CB 3.4Å; A197-V201 VanDerWaalsContact O-CG2 3.25Å; A197-V201 WeakPolarHBondContact O-CG2 3.41Å; A197-V201 PolarHBondContact O-N 3.38Å; A197-V201 VanDerWaalsContact O-N 3.12Å; V198-V201 PolarHBondContact O-N 3.43Å; T199-V201 VanDerWaalsContact C-N 3.34Å; T199-V201 PolarHBondContact O-N 2.86Å; V201-G204 PolarHBondContact O-N 3.42Å; V201-F205 VanDerWaalsContact O-CB 3.31Å; V201-F205 WeakPolarHBondContact O-CB 3.42Å; V201-F205 PolarHBondContact O-N 2.87Å
202L97.9Very high96.6Very high42 Ų4223.8 Ų23.822%0.2212%0.12CC..Hα-helixtrans-64.3-42175.5-67.4177.7000111.8V198 T199 F205 F206 L233 A237 W279V198-L202 PolarHBondContact O-N 3.46Å; V198-L202 VanDerWaalsContact O-N 3.12Å; T199-L202 PolarHBondContact O-N 3.12Å; T199-L202 VanDerWaalsContact O-N 3.17Å; L202-F205 PolarHBondContact O-N 3.27Å; L202-F206 HydrophobicContact CD2-CD2 4.05Å; L202-F206 HydrophobicContact CD2-CE2 3.85Å; L202-F206 PolarHBondContact O-N 3.26Å; L202-L233 HydrophobicContact CD1-CD1 4.46Å; L202-A237 HydrophobicContact CB-CB 4.43Å; L202-W279 HydrophobicContact CD1-CH2 3.64Å; L202-W279 HydrophobicContact CD1-CZ3 3.74Å
203I98Very high96.5Very high1 Ų126.3 Ų26.31%0.00513%0.133CC..Iπ-helixtrans-62.5-43.9175.3-68164.4000110.5T199 S207 M208 A237 Y906T199-I203 WeakPolarHBondContact O-CG1 3.29Å; T199-I203 PolarHBondContact O-N 3.31Å; I203-S207 WeakPolarHBondContact O-CB 3.42Å; I203-S207 PolarHBondContact O-N 3.38Å; I203-M208 HydrophobicContact CG2-CE 4.27Å; I203-M208 HydrophobicContact CG2-CG 4.41Å; I203-M208 WeakPolarHBondContact O-CG 3.4Å; I203-M208 PolarHBondContact O-N 3.34Å; I203-A237 HydrophobicContact CD1-CB 4.32Å; I203-A237 HydrophobicContact CG1-CB 3.87Å; I203-Y906 HydrophobicContact CG2-CD1 3.78Å; I203-Y906 HydrophobicContact CG2-CE1 4.18Å; I203-Y906 HydrophobicContact CG2-CG 4.36Å
204G97.6Very high96.5Very high0 Ų028.2 Ų28.20%014%0.14CC..Iπ-helixtrans-63.9-41.2175.900000113.7S165 D200 V201 N209S165-G204 PolarHBondContact OG-O 2.95Å; S165-G204 VanDerWaalsContact OG-O 3.04Å; D200-G204 PolarHBondContact O-N 3.44Å; V201-G204 PolarHBondContact O-N 3.42Å; G204-N209 PolarHBondContact O-ND2 3.22Å
205F97Very high96.3Very high119 Ų11929.2 Ų29.252%0.52214%0.144SC..Iπ-helixtrans-83.5-40.2-174.2-171-90.6000113.9I169 V201 L202 N209I169-F205 HydrophobicContact CD1-CB 4.34Å; I169-F205 HydrophobicContact CD1-CD2 4.34Å; V201-F205 VanDerWaalsContact O-CB 3.31Å; V201-F205 WeakPolarHBondContact O-CB 3.42Å; V201-F205 PolarHBondContact O-N 2.87Å; L202-F205 PolarHBondContact O-N 3.27Å; F205-N209 PolarHBondContact O-ND2 2.92Å
206F96.7Very high96Very high68 Ų6831.7 Ų31.730%0.29816%0.156SC..Iπ-helixtrans-102.5-64-178.9-63.5-73.3000111.6L202 M208 N209 F210 L233L202-F206 HydrophobicContact CD2-CD2 4.05Å; L202-F206 HydrophobicContact CD2-CE2 3.85Å; L202-F206 PolarHBondContact O-N 3.26Å; F206-M208 PolarHBondContact O-N 3.49Å; F206-N209 PolarHBondContact O-N 3.25Å; F206-F210 HydrophobicContact CB-CD2 4.34Å; F206-F210 HydrophobicContact CB-CE2 4.46Å; F206-F210 AromaticContact CD1-CE2 3.96Å; F206-F210 HydrophobicContact CD1-CE2 3.96Å; F206-F210 PolarHBondContact O-N 2.84Å; F206-L233 HydrophobicContact CB-CD2 3.9Å; F206-L233 HydrophobicContact CD1-CD2 4.35Å; F206-L233 HydrophobicContact CD2-CD2 3.62Å; F206-L233 HydrophobicContact CE2-CD2 4.19Å; F206-L233 HydrophobicContact CG-CD2 3.7Å
207S96.9Very high95.7Very high1 Ų133.5 Ų33.51%0.00717%0.166CC..Iπ-helixtrans-58.9-52-167.7-520000113.7I203 N209 Y211 D234 Y906I203-S207 WeakPolarHBondContact O-CB 3.42Å; I203-S207 PolarHBondContact O-N 3.38Å; S207-N209 VanDerWaalsContact C-N 3.29Å; S207-N209 PolarHBondContact O-N 2.95Å; S207-Y211 WeakPolarHBondContact O-CB 3.36Å; S207-Y211 PolarHBondContact O-N 3.41Å; S207-D234 WeakPolarHBondContact CB-OD1 3.4Å; S207-D234 VanDerWaalsContact OG-CG 3.24Å; S207-D234 PolarHBondContact OG-OD1 3.16Å; S207-Y906 VanDerWaalsContact C-OH 3.27Å; S207-Y906 VanDerWaalsContact CB-OH 3.3Å; S207-Y906 WeakPolarHBondContact CB-OH 3.03Å; S207-Y906 PolarHBondContact O-OH 2.99Å
208M96.7Very high95.3Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-60.9-37.1179-72.6179.4176.700112.5V164 T168 I203 F206 T212 W903 Y906V164-M208 HydrophobicContact CG1-CE 3.88Å; V164-M208 HydrophobicContact CG1-SD 4.01Å; T168-M208 HydrophobicContact CG2-CE 4.05Å; T168-M208 HydrophobicContact CG2-SD 4.42Å; T168-M208 WeakPolarHBondContact OG1-CE 3.3Å; I203-M208 HydrophobicContact CG2-CE 4.27Å; I203-M208 HydrophobicContact CG2-CG 4.41Å; I203-M208 WeakPolarHBondContact O-CG 3.4Å; I203-M208 PolarHBondContact O-N 3.34Å; F206-M208 PolarHBondContact O-N 3.49Å; M208-T212 VanDerWaalsContact O-CB 3.3Å; M208-T212 WeakPolarHBondContact O-CB 3.31Å; M208-T212 PolarHBondContact O-N 3.24Å; M208-T212 PolarHBondContact O-OG1 3.27Å; M208-W903 HydrophobicContact CB-CH2 3.8Å; M208-W903 HydrophobicContact CB-CZ3 4.03Å; M208-W903 HydrophobicContact CG-CH2 4.05Å; M208-W903 HydrophobicContact CG-CZ3 3.75Å; M208-W903 WeakPolarHBondContact O-CH2 3.39Å; M208-W903 HydrophobicContact SD-CZ3 4.31Å; M208-Y906 HydrophobicContact CE-CG 4.43Å; M208-Y906 VanDerWaalsContact CE-O 3.29Å; M208-Y906 WeakPolarHBondContact CE-O 3.03Å; M208-Y906 HydrophobicContact CG-CD2 3.75Å; M208-Y906 HydrophobicContact CG-CE2 4.17Å; M208-Y906 HydrophobicContact CG-CG 4.09Å
209N96.2Very high95Very high61 Ų6134.4 Ų34.433%0.32617%0.172SC..Hα-helixtrans-83.4-40-173.1-58.7-40.8000111.9S165 G204 F205 F206 S207 T212 L213S165-N209 WeakPolarHBondContact CB-OD1 3.5Å; S165-N209 PolarHBondContact OG-ND2 3.48Å; S165-N209 PolarHBondContact OG-OD1 2.96Å; G204-N209 PolarHBondContact O-ND2 3.22Å; F205-N209 PolarHBondContact O-ND2 2.92Å; F206-N209 PolarHBondContact O-N 3.25Å; S207-N209 VanDerWaalsContact C-N 3.29Å; S207-N209 PolarHBondContact O-N 2.95Å; N209-T212 WeakPolarHBondContact O-CB 3.42Å; N209-T212 PolarHBondContact O-N 2.92Å; N209-L213 PolarHBondContact O-N 3.24Å
210F96.3Very high94.7Very high66 Ų6634.6 Ų34.629%0.28917%0.173SC..Hα-helixtrans-68.4-37.1171.5-74.5-49.6000112.5F206 L213 Y214 W220 L222 W230F206-F210 HydrophobicContact CB-CD2 4.34Å; F206-F210 HydrophobicContact CB-CE2 4.46Å; F206-F210 AromaticContact CD1-CE2 3.96Å; F206-F210 HydrophobicContact CD1-CE2 3.96Å; F206-F210 PolarHBondContact O-N 2.84Å; F210-L213 HydrophobicContact CD1-CD2 4.41Å; F210-L213 WeakPolarHBondContact O-CB 3.21Å; F210-L213 PolarHBondContact O-N 3.04Å; F210-Y214 PolarHBondContact O-N 3.22Å; F210-W220 HydrophobicContact CB-CH2 4.09Å; F210-W220 HydrophobicContact CB-CZ3 4.19Å; F210-W220 AromaticContact CD1-CH2 3.93Å; F210-W220 HydrophobicContact CD1-CH2 3.93Å; F210-W220 HydrophobicContact CD1-CZ3 4.5Å; F210-W220 HydrophobicContact CG-CH2 4.1Å; F210-L222 HydrophobicContact CD1-CD1 4.06Å; F210-L222 HydrophobicContact CE1-CD1 3.68Å; F210-W230 HydrophobicContact CB-CD2 3.73Å; F210-W230 HydrophobicContact CB-CE3 4.27Å; F210-W230 HydrophobicContact CB-CG 3.89Å; F210-W230 HydrophobicContact CB-CZ2 4.44Å; F210-W230 HydrophobicContact CD2-CB 4.14Å; F210-W230 AromaticContact CD2-CD1 3.88Å; F210-W230 AromaticContact CD2-CG 3.92Å; F210-W230 HydrophobicContact CD2-CG 3.92Å; F210-W230 HydrophobicContact CG-CD2 4.48Å; F210-W230 HydrophobicContact CG-CG 4.2Å
211Y95.5Very high94.5Very high9 Ų934.9 Ų34.94%0.03517%0.174CC..Hα-helixtrans-66.8-37.7173.3-167.9-130.9000112S207 Y214 L215 W230 S899 Y902 W903 Y906S207-Y211 WeakPolarHBondContact O-CB 3.36Å; S207-Y211 PolarHBondContact O-N 3.41Å; Y211-Y214 HydrophobicContact CD2-CD1 4.48Å; Y211-Y214 HydrophobicContact CE2-CD1 4.42Å; Y211-Y214 PolarHBondContact O-N 2.66Å; Y211-L215 HydrophobicContact CD1-CD1 3.76Å; Y211-L215 HydrophobicContact CD1-CG 4.47Å; Y211-L215 HydrophobicContact CD2-CG 4.36Å; Y211-L215 HydrophobicContact CE1-CD1 3.54Å; Y211-L215 HydrophobicContact CE1-CG 4.25Å; Y211-L215 HydrophobicContact CE2-CD1 4.3Å; Y211-L215 HydrophobicContact CE2-CD2 4.3Å; Y211-L215 HydrophobicContact CE2-CG 4.11Å; Y211-L215 HydrophobicContact CG-CD1 4.25Å; Y211-L215 WeakPolarHBondContact O-CB 3.23Å; Y211-L215 VanDerWaalsContact O-CG 3.29Å; Y211-L215 WeakPolarHBondContact O-CG 3.22Å; Y211-L215 PolarHBondContact O-N 3.48Å; Y211-W230 AromaticContact CD2-CH2 3.98Å; Y211-W230 HydrophobicContact CD2-CH2 3.98Å; Y211-W230 HydrophobicContact CD2-CZ2 4.15Å; Y211-W230 HydrophobicContact CG-CZ2 4.44Å; Y211-S899 WeakPolarHBondContact OH-CA 3.46Å; Y211-Y902 AromaticContact CD1-CD1 3.88Å; Y211-Y902 HydrophobicContact CD1-CD1 3.88Å; Y211-Y902 HydrophobicContact CD1-CE1 4.36Å; Y211-Y902 AromaticContact CE1-CD1 3.55Å; Y211-Y902 HydrophobicContact CE1-CD1 3.55Å; Y211-Y902 HydrophobicContact CE1-CE1 4.37Å; Y211-Y902 AromaticContact CE1-CG 3.77Å; Y211-Y902 HydrophobicContact CE1-CG 3.77Å; Y211-Y902 HydrophobicContact CE2-CD1 4.39Å; Y211-Y902 HydrophobicContact CE2-CG 4.4Å; Y211-Y902 HydrophobicContact CG-CD1 4.41Å; Y211-Y902 HydrophobicContact CG-CE1 4.49Å; Y211-Y902 AromaticContact CZ-CD1 3.86Å; Y211-Y902 AromaticContact CZ-CG 3.71Å; Y211-W903 AromaticContact CD1-CE2 3.72Å; Y211-W903 AromaticContact CD1-CZ2 3.96Å; Y211-W903 HydrophobicContact CD1-CZ2 3.96Å; Y211-W903 AromaticContact CD1-NE1 3.48Å; Y211-W903 AromaticContact CE1-CD1 3.67Å; Y211-W903 HydrophobicContact CE1-CG 4.44Å; Y211-W903 AromaticContact CE1-NE1 3.44Å; Y211-Y906 HydrophobicContact CD1-CD2 4.41Å; Y211-Y906 AromaticContact CD1-CE2 3.7Å; Y211-Y906 HydrophobicContact CD1-CE2 3.7Å; Y211-Y906 HydrophobicContact CG-CE2 4.1Å
212T94.4Very high94.2Very high18 Ų1836.7 Ų36.711%0.1118%0.183CC..Hα-helixtrans-59.7-45.8170.5-63.70000111.4T161 M208 N209 Y214 L215 L216 W903T161-T212 VanDerWaalsContact CB-OG1 3.25Å; T161-T212 WeakPolarHBondContact CB-OG1 3.24Å; T161-T212 WeakPolarHBondContact OG1-CG2 3.48Å; T161-T212 PolarHBondContact OG1-OG1 3.12Å; M208-T212 VanDerWaalsContact O-CB 3.3Å; M208-T212 WeakPolarHBondContact O-CB 3.31Å; M208-T212 PolarHBondContact O-N 3.24Å; M208-T212 PolarHBondContact O-OG1 3.27Å; N209-T212 WeakPolarHBondContact O-CB 3.42Å; N209-T212 PolarHBondContact O-N 2.92Å; T212-Y214 PolarHBondContact O-N 3.36Å; T212-L215 PolarHBondContact O-N 2.93Å; T212-L216 HydrophobicContact CG2-CD1 3.52Å; T212-L216 HydrophobicContact CG2-CG 4.08Å; T212-L216 WeakPolarHBondContact O-CB 3.31Å; T212-L216 VanDerWaalsContact O-CG 3.27Å; T212-L216 WeakPolarHBondContact O-CG 3.4Å; T212-L216 PolarHBondContact O-N 2.78Å; T212-W903 WeakPolarHBondContact OG1-CZ2 3.29Å
213L93.4Very high93.8Very high54 Ų5436 Ų3628%0.28319%0.186SC..Hα-helixtrans-57.5-47.6177.4-179.566.9000111.6N209 F210 L217 P221 L222N209-L213 PolarHBondContact O-N 3.24Å; F210-L213 HydrophobicContact CD1-CD2 4.41Å; F210-L213 WeakPolarHBondContact O-CB 3.21Å; F210-L213 PolarHBondContact O-N 3.04Å; L213-L217 HydrophobicContact CD1-CD1 3.58Å; L213-L217 HydrophobicContact CD1-CG 4.25Å; L213-L217 HydrophobicContact CG-CD1 4.05Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.89Å; L213-L217 VanDerWaalsContact O-N 3.16Å; L213-P221 HydrophobicContact CD2-CG 4.18Å; L213-P221 HydrophobicContact CG-CG 4.44Å; L213-L222 HydrophobicContact CD2-CD1 3.91Å; L213-L222 HydrophobicContact CD2-CG 4.26Å
214Y93Very high93.5Very high54 Ų5439.3 Ų39.321%0.21220%0.198CC..Hα-helixtrans-61.8-47.5177.8-176.3-118.4000112.2F210 Y211 T212 L216 G218 R219 W220 C308F210-Y214 PolarHBondContact O-N 3.22Å; Y211-Y214 HydrophobicContact CD2-CD1 4.48Å; Y211-Y214 HydrophobicContact CE2-CD1 4.42Å; Y211-Y214 PolarHBondContact O-N 2.66Å; T212-Y214 PolarHBondContact O-N 3.36Å; Y214-L216 PolarHBondContact O-N 3.15Å; Y214-G218 PolarHBondContact O-N 3.47Å; Y214-R219 VanDerWaalsContact CD2-C 3.5Å; Y214-W220 HydrophobicContact CD2-CB 4.05Å; Y214-W220 HydrophobicContact CD2-CE3 4.23Å; Y214-W220 HydrophobicContact CE2-CB 4.19Å; Y214-C308 HydrophobicContact CD2-CB 4.44Å; Y214-C308 HydrophobicContact CE2-CB 4.28Å
215L90.8Very high93.2Very high30 Ų3041 Ų4116%0.15721%0.207CC..Hα-helixtrans-64.9-36.5179.9-74.8173.6000114Y211 T212 S899Y211-L215 HydrophobicContact CD1-CD1 3.76Å; Y211-L215 HydrophobicContact CD1-CG 4.47Å; Y211-L215 HydrophobicContact CD2-CG 4.36Å; Y211-L215 HydrophobicContact CE1-CD1 3.54Å; Y211-L215 HydrophobicContact CE1-CG 4.25Å; Y211-L215 HydrophobicContact CE2-CD1 4.3Å; Y211-L215 HydrophobicContact CE2-CD2 4.3Å; Y211-L215 HydrophobicContact CE2-CG 4.11Å; Y211-L215 HydrophobicContact CG-CD1 4.25Å; Y211-L215 WeakPolarHBondContact O-CB 3.23Å; Y211-L215 VanDerWaalsContact O-CG 3.29Å; Y211-L215 WeakPolarHBondContact O-CG 3.22Å; Y211-L215 PolarHBondContact O-N 3.48Å; T212-L215 PolarHBondContact O-N 2.93Å; L215-S899 WeakPolarHBondContact CD2-OG 3.46Å
216L90.9Very high93Very high59 Ų5936.9 Ų36.931%0.30919%0.193SC..Hα-helixtrans-80-27.7-178.4-67.8176.4000113.2S154 L157 A158 T212 Y214S154-L216 VanDerWaalsContact O-CD2 3.29Å; S154-L216 WeakPolarHBondContact O-CD2 3.29Å; L157-L216 HydrophobicContact CB-CD2 4.24Å; A158-L216 HydrophobicContact CB-CD1 3.63Å; A158-L216 HydrophobicContact CB-CD2 4.22Å; T212-L216 HydrophobicContact CG2-CD1 3.52Å; T212-L216 HydrophobicContact CG2-CG 4.08Å; T212-L216 WeakPolarHBondContact O-CB 3.31Å; T212-L216 VanDerWaalsContact O-CG 3.27Å; T212-L216 WeakPolarHBondContact O-CG 3.4Å; T212-L216 PolarHBondContact O-N 2.78Å; Y214-L216 PolarHBondContact O-N 3.15Å
217L90Very high93Very high39 Ų3933.7 Ų33.720%0.20418%0.179CC..Hα-helixtrans-91.6-18.2177.3-65.9178.4000113.4Y57 W60 L213 R219 P221Y57-L217 HydrophobicContact CE2-CD1 4.05Å; W60-L217 HydrophobicContact CH2-CD2 3.39Å; W60-L217 HydrophobicContact CZ2-CD2 4.18Å; W60-L217 HydrophobicContact CZ3-CD2 3.74Å; L213-L217 HydrophobicContact CD1-CD1 3.58Å; L213-L217 HydrophobicContact CD1-CG 4.25Å; L213-L217 HydrophobicContact CG-CD1 4.05Å; L213-L217 WeakPolarHBondContact O-CB 3.37Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.89Å; L213-L217 VanDerWaalsContact O-N 3.16Å; L217-R219 HydrophobicContact CB-CG 4.33Å; L217-R219 PolarHBondContact O-N 2.92Å; L217-P221 HydrophobicContact CD1-CB 4.25Å; L217-P221 HydrophobicContact CD1-CG 3.62Å
218G87.6Confident92.9Very high29 Ų2934.3 Ų34.330%0.29918%0.182SC..THydrogen-bonded Turntrans67.48.7-172.600000114.2Y214Y214-G218 PolarHBondContact O-N 3.47Å
219R91.4Very high92.9Very high47 Ų4738.2 Ų38.218%0.17720%0.203CC..SBendtrans-158.5163.2-178.565.9174.2-179.4140-7.9111.2D56 W60 Y214 L217 P221 D306D56-R219 PolarHBondContact O-NH2 2.8Å; W60-R219 VanDerWaalsContact CG-NH2 3.27Å; Y214-R219 VanDerWaalsContact CD2-C 3.5Å; L217-R219 HydrophobicContact CB-CG 4.33Å; L217-R219 PolarHBondContact O-N 2.92Å; R219-P221 WeakPolarHBondContact O-CD 3.11Å; R219-D306 CarbonylContact C-O 3.53Å; R219-D306 WeakPolarHBondContact CA-O 3.41Å; R219-D306 HydrophobicContact CB-CB 4.36Å
220W93.2Very high92.9Very high4 Ų435.7 Ų35.72%0.01519%0.189CC..  trans-94.5114.8175.5-173-106.3000111.2F210 Y214 L222 G223 S226 C227 W230 D306 C308F210-W220 HydrophobicContact CB-CH2 4.09Å; F210-W220 HydrophobicContact CB-CZ3 4.19Å; F210-W220 AromaticContact CD1-CH2 3.93Å; F210-W220 HydrophobicContact CD1-CH2 3.93Å; F210-W220 HydrophobicContact CD1-CZ3 4.5Å; F210-W220 HydrophobicContact CG-CH2 4.1Å; Y214-W220 HydrophobicContact CD2-CB 4.05Å; Y214-W220 HydrophobicContact CD2-CE3 4.23Å; Y214-W220 HydrophobicContact CE2-CB 4.19Å; W220-L222 HydrophobicContact CH2-CD1 4.07Å; W220-L222 HydrophobicContact CZ2-CB 3.89Å; W220-L222 HydrophobicContact CZ2-CD1 3.92Å; W220-L222 HydrophobicContact CZ2-CG 4.27Å; W220-G223 PolarHBondContact NE1-O 3.41Å; W220-S226 WeakPolarHBondContact CZ2-OG 3.5Å; W220-S226 PolarHBondContact NE1-OG 3.02Å; W220-S226 VanDerWaalsContact NE1-OG 3.16Å; W220-C227 HydrophobicContact CD2-CB 4.37Å; W220-C227 HydrophobicContact CG-CB 4.43Å; W220-C227 HydrophobicContact CZ2-CB 4.28Å; W220-W230 HydrophobicContact CE3-CE3 4.01Å; W220-W230 AromaticContact CE3-CZ3 3.87Å; W220-W230 HydrophobicContact CE3-CZ3 3.87Å; W220-W230 HydrophobicContact CH2-CB 4.37Å; W220-W230 HydrophobicContact CH2-CD2 4.02Å; W220-W230 AromaticContact CH2-CE3 3.34Å; W220-W230 HydrophobicContact CH2-CE3 3.34Å; W220-W230 HydrophobicContact CH2-CG 4.43Å; W220-W230 HydrophobicContact CH2-CZ3 4.03Å; W220-W230 HydrophobicContact CZ2-CE3 4.13Å; W220-W230 HydrophobicContact CZ3-CD2 4.19Å; W220-W230 AromaticContact CZ3-CE3 3.27Å; W220-W230 HydrophobicContact CZ3-CE3 3.27Å; W220-W230 HydrophobicContact CZ3-CH2 4.49Å; W220-W230 AromaticContact CZ3-CZ3 3.44Å; W220-W230 HydrophobicContact CZ3-CZ3 3.44Å; W220-W230 VanDerWaalsContact CZ3-CZ3 3.44Å; W220-D306 PolarHBondContact N-O 2.97Å; W220-C308 HydrophobicContact CB-CB 3.83Å; W220-C308 HydrophobicContact CD2-CB 3.87Å; W220-C308 HydrophobicContact CE3-CB 4.05Å; W220-C308 HydrophobicContact CG-CB 3.78Å
221P92.4Very high92.9Very high5 Ų532.8 Ų32.83%0.03218%0.176CC..  trans-93.9-6.9-174.837.4-37.4000114.3Y57 L213 L217 R219Y57-P221 HydrophobicContact CD2-CB 3.33Å; Y57-P221 HydrophobicContact CD2-CG 4.23Å; Y57-P221 HydrophobicContact CE2-CB 3.91Å; Y57-P221 HydrophobicContact CE2-CG 4.34Å; Y57-P221 HydrophobicContact CG-CB 3.9Å; L213-P221 HydrophobicContact CD2-CG 4.18Å; L213-P221 HydrophobicContact CG-CG 4.44Å; L217-P221 HydrophobicContact CD1-CB 4.25Å; L217-P221 HydrophobicContact CD1-CG 3.62Å; R219-P221 WeakPolarHBondContact O-CD 3.11Å
222L92.6Very high93Very high64 Ų6432.4 Ų32.434%0.33517%0.174SC..SBendtrans-996-167.8-53.9-179.4000113.6F210 L213 W220 S226F210-L222 HydrophobicContact CD1-CD1 4.06Å; F210-L222 HydrophobicContact CE1-CD1 3.68Å; L213-L222 HydrophobicContact CD2-CD1 3.91Å; L213-L222 HydrophobicContact CD2-CG 4.26Å; W220-L222 HydrophobicContact CH2-CD1 4.07Å; W220-L222 HydrophobicContact CZ2-CB 3.89Å; W220-L222 HydrophobicContact CZ2-CD1 3.92Å; W220-L222 HydrophobicContact CZ2-CG 4.27Å; L222-S226 WeakPolarHBondContact CB-OG 3.18Å; L222-S226 PolarHBondContact O-OG 3.42Å
223G90.3Very high93.2Very high27 Ų2733.6 Ų33.628%0.27818%0.18SC..Hα-helixtrans72.6170.7178.400000115.5W220 L225 S226 C227W220-G223 PolarHBondContact NE1-O 3.41Å; G223-L225 PolarHBondContact O-N 3.25Å; G223-S226 PolarHBondContact O-N 3.17Å; G223-S226 PolarHBondContact O-OG 3.15Å; G223-C227 PolarHBondContact O-N 3.36Å
224R90.4Very high93.4Very high72 Ų7231.1 Ų31.127%0.27217%0.167SC..Hα-helixtrans-56-51.2-168.3-150.9174.7177.3167.7-3.9114.9S226 C227 D228 R303 D305 E311R224-S226 VanDerWaalsContact C-N 3.31Å; R224-S226 PolarHBondContact O-N 2.82Å; R224-C227 VanDerWaalsContact O-CB 3.31Å; R224-C227 WeakPolarHBondContact O-CB 3.41Å; R224-C227 PolarHBondContact O-N 3.32Å; R224-C227 VanDerWaalsContact O-N 3.09Å; R224-D228 PolarHBondContact O-N 2.8Å; R224-R303 VanDerWaalsContact CG-NH2 3.28Å; R224-D305 WeakPolarHBondContact CB-OD1 3.44Å; R224-E311 IonicContact CZ-OE1 2.76Å; R224-E311 IonicContact NE-OE1 3.53Å; R224-E311 PolarHBondContact NE-OE1 2.76Å; R224-E311 IonicContact NH2-OE1 2.78Å; R224-E311 PolarHBondContact NH2-OE1 2.91Å; R224-E311 IonicContact NH2-OE2 3.25Å; R224-E311 PolarHBondContact NH2-OE2 3.14Å
225L91.4Very high93.5Very high34 Ų3429.7 Ų29.718%0.17816%0.161CC..Hα-helixtrans-60.3-38.4-174.6177.460.8000112.9F50 G223 D228 L229 M291F50-L225 HydrophobicContact CB-CD2 3.95Å; F50-L225 HydrophobicContact CD1-CB 3.61Å; F50-L225 HydrophobicContact CD1-CD2 3.7Å; F50-L225 HydrophobicContact CD1-CG 4.31Å; F50-L225 HydrophobicContact CD2-CD2 4.36Å; F50-L225 HydrophobicContact CE1-CB 3.97Å; F50-L225 HydrophobicContact CE1-CD2 4.22Å; F50-L225 HydrophobicContact CG-CB 4.48Å; F50-L225 HydrophobicContact CG-CD2 3.76Å; G223-L225 PolarHBondContact O-N 3.25Å; L225-D228 PolarHBondContact O-N 3.09Å; L225-L229 HydrophobicContact CD1-CD1 4.06Å; L225-L229 HydrophobicContact CD1-CG 4.14Å; L225-L229 HydrophobicContact CG-CD1 4.01Å; L225-L229 HydrophobicContact CG-CG 4.5Å; L225-L229 WeakPolarHBondContact O-CB 3.35Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.26Å; L225-L229 PolarHBondContact O-N 2.91Å; L225-M291 HydrophobicContact CD1-CE 3.8Å
226S93.9Very high93.8Very high34 Ų3428.4 Ų28.424%0.23816%0.155CC..Hα-helixtrans-73.2-32178.965.50000112W220 L222 G223 R224 W230W220-S226 WeakPolarHBondContact CZ2-OG 3.5Å; W220-S226 PolarHBondContact NE1-OG 3.02Å; W220-S226 VanDerWaalsContact NE1-OG 3.16Å; L222-S226 WeakPolarHBondContact CB-OG 3.18Å; L222-S226 PolarHBondContact O-OG 3.42Å; G223-S226 PolarHBondContact O-N 3.17Å; G223-S226 PolarHBondContact O-OG 3.15Å; R224-S226 VanDerWaalsContact C-N 3.31Å; R224-S226 PolarHBondContact O-N 2.82Å; S226-W230 VanDerWaalsContact O-CB 3.28Å; S226-W230 WeakPolarHBondContact O-CB 3.44Å; S226-W230 PolarHBondContact O-N 3.35Å
227C95.8Very high94.1Very high0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-62.5-51.3169.8173.30000110.3W220 G223 R224 L229 W230 L231 R303 C308W220-C227 HydrophobicContact CD2-CB 4.37Å; W220-C227 HydrophobicContact CG-CB 4.43Å; W220-C227 HydrophobicContact CZ2-CB 4.28Å; G223-C227 PolarHBondContact O-N 3.36Å; R224-C227 VanDerWaalsContact O-CB 3.31Å; R224-C227 WeakPolarHBondContact O-CB 3.41Å; R224-C227 PolarHBondContact O-N 3.32Å; R224-C227 VanDerWaalsContact O-N 3.09Å; C227-L229 VanDerWaalsContact C-N 3.32Å; C227-L229 PolarHBondContact O-N 3.08Å; C227-W230 PolarHBondContact O-N 3.22Å; C227-L231 WeakPolarHBondContact O-CB 3.4Å; C227-L231 VanDerWaalsContact O-CG 3.28Å; C227-L231 WeakPolarHBondContact O-CG 3.39Å; C227-L231 PolarHBondContact O-N 3.44Å; C227-L231 WeakPolarHBondContact SG-CD1 3.19Å; C227-R303 PolarHBondContact SG-NH2 2.92Å; C227-C308 VanDerWaalsContact CA-SG 3.57Å; C227-C308 HydrophobicContact CB-CB 3.92Å; C227-C308 WeakPolarHBondContact CB-SG 3.34Å; C227-C308 WeakPolarHBondContact SG-CA 3.37Å; C227-C308 WeakPolarHBondContact SG-CB 3.4Å; C227-C308 CovalentContact SG-SG 2.03Å; C227-C308 PolarHBondContact SG-SG 3.05Å
228D94.9Very high94.5Very high15 Ų1524.6 Ų24.68%0.0814%0.137CC..Hα-helixtrans-65.1-35.8-177.2-59-36.6000112R224 L225 S232 I290 M291 R303R224-D228 PolarHBondContact O-N 2.8Å; L225-D228 PolarHBondContact O-N 3.09Å; D228-S232 WeakPolarHBondContact O-CB 3.39Å; D228-S232 PolarHBondContact O-N 2.97Å; D228-S232 PolarHBondContact O-OG 3.36Å; D228-I290 HydrophobicContact CB-CG2 4.17Å; D228-M291 HydrophobicContact CB-SD 3.64Å; D228-R303 IonicContact OD1-CZ 2.84Å; D228-R303 VanDerWaalsContact OD1-CZ 3.25Å; D228-R303 IonicContact OD1-NH1 3.74Å; D228-R303 PolarHBondContact OD1-NH1 3.06Å; D228-R303 IonicContact OD1-NH2 3.35Å; D228-R303 PolarHBondContact OD1-NH2 3.33Å; D228-R303 IonicContact OD2-NH2 3.41Å
229L96Very high94.8Very high81 Ų8123.5 Ų23.542%0.42412%0.124SC..Hα-helixtrans-69-42.8172.2-72.9172.8000113.1L225 C227 L233 F287 M291L225-L229 HydrophobicContact CD1-CD1 4.06Å; L225-L229 HydrophobicContact CD1-CG 4.14Å; L225-L229 HydrophobicContact CG-CD1 4.01Å; L225-L229 HydrophobicContact CG-CG 4.5Å; L225-L229 WeakPolarHBondContact O-CB 3.35Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.26Å; L225-L229 PolarHBondContact O-N 2.91Å; C227-L229 VanDerWaalsContact C-N 3.32Å; C227-L229 PolarHBondContact O-N 3.08Å; L229-L233 WeakPolarHBondContact O-CB 3.36Å; L229-L233 PolarHBondContact O-N 3.09Å; L229-F287 HydrophobicContact CD2-CE1 4.46Å; L229-M291 HydrophobicContact CD2-SD 4.32Å
230W97.4Very high95.1Very high9 Ų921.2 Ų21.23%0.03412%0.115CC..Hα-helixtrans-62.2-50.8175.6162.339.2000110.6F210 Y211 W220 S226 C227 S232 L233 D234 C308F210-W230 HydrophobicContact CB-CD2 3.73Å; F210-W230 HydrophobicContact CB-CE3 4.27Å; F210-W230 HydrophobicContact CB-CG 3.89Å; F210-W230 HydrophobicContact CB-CZ2 4.44Å; F210-W230 HydrophobicContact CD2-CB 4.14Å; F210-W230 AromaticContact CD2-CD1 3.88Å; F210-W230 AromaticContact CD2-CG 3.92Å; F210-W230 HydrophobicContact CD2-CG 3.92Å; F210-W230 HydrophobicContact CG-CD2 4.48Å; F210-W230 HydrophobicContact CG-CG 4.2Å; Y211-W230 AromaticContact CD2-CH2 3.98Å; Y211-W230 HydrophobicContact CD2-CH2 3.98Å; Y211-W230 HydrophobicContact CD2-CZ2 4.15Å; Y211-W230 HydrophobicContact CG-CZ2 4.44Å; W220-W230 HydrophobicContact CE3-CE3 4.01Å; W220-W230 AromaticContact CE3-CZ3 3.87Å; W220-W230 HydrophobicContact CE3-CZ3 3.87Å; W220-W230 HydrophobicContact CH2-CB 4.37Å; W220-W230 HydrophobicContact CH2-CD2 4.02Å; W220-W230 AromaticContact CH2-CE3 3.34Å; W220-W230 HydrophobicContact CH2-CE3 3.34Å; W220-W230 HydrophobicContact CH2-CG 4.43Å; W220-W230 HydrophobicContact CH2-CZ3 4.03Å; W220-W230 HydrophobicContact CZ2-CE3 4.13Å; W220-W230 HydrophobicContact CZ3-CD2 4.19Å; W220-W230 AromaticContact CZ3-CE3 3.27Å; W220-W230 HydrophobicContact CZ3-CE3 3.27Å; W220-W230 HydrophobicContact CZ3-CH2 4.49Å; W220-W230 AromaticContact CZ3-CZ3 3.44Å; W220-W230 HydrophobicContact CZ3-CZ3 3.44Å; W220-W230 VanDerWaalsContact CZ3-CZ3 3.44Å; S226-W230 VanDerWaalsContact O-CB 3.28Å; S226-W230 WeakPolarHBondContact O-CB 3.44Å; S226-W230 PolarHBondContact O-N 3.35Å; C227-W230 PolarHBondContact O-N 3.22Å; W230-S232 PolarHBondContact O-N 3.38Å; W230-L233 PolarHBondContact O-N 3.2Å; W230-D234 WeakPolarHBondContact O-CB 3.42Å; W230-D234 PolarHBondContact O-N 3.14Å; W230-C308 HydrophobicContact CZ3-CB 4.12Å; W230-C308 WeakPolarHBondContact CZ3-SG 3.39Å
231L97Very high95.2Very high5 Ų521 Ų213%0.02611%0.114CC..Hα-helixtrans-62.3-42.3178.9-65.2173.2000111.5C227 L233 D234 Y235 I290 Y309 A310C227-L231 WeakPolarHBondContact O-CB 3.4Å; C227-L231 VanDerWaalsContact O-CG 3.28Å; C227-L231 WeakPolarHBondContact O-CG 3.39Å; C227-L231 PolarHBondContact O-N 3.44Å; C227-L231 WeakPolarHBondContact SG-CD1 3.19Å; L231-L233 VanDerWaalsContact C-N 3.32Å; L231-L233 PolarHBondContact O-N 2.93Å; L231-D234 PolarHBondContact O-N 3.25Å; L231-Y235 HydrophobicContact CD2-CE2 4.21Å; L231-Y235 WeakPolarHBondContact O-CB 3.49Å; L231-Y235 WeakPolarHBondContact O-CD2 3.27Å; L231-Y235 PolarHBondContact O-N 3.05Å; L231-I290 HydrophobicContact CB-CD1 4.11Å; L231-I290 HydrophobicContact CB-CG2 4.28Å; L231-Y309 WeakPolarHBondContact CD1-O 3.35Å; L231-A310 HydrophobicContact CD1-CB 4.39Å
232S97.2Very high95.3Very high0 Ų020.9 Ų20.90%011%0.113CC..Hα-helixtrans-58.6-43.4174.8-64.40000112D228 W230 T236 F287D228-S232 WeakPolarHBondContact O-CB 3.39Å; D228-S232 PolarHBondContact O-N 2.97Å; D228-S232 PolarHBondContact O-OG 3.36Å; W230-S232 PolarHBondContact O-N 3.38Å; S232-T236 WeakPolarHBondContact O-CB 3.42Å; S232-T236 PolarHBondContact O-N 3.01Å; S232-T236 PolarHBondContact O-OG1 3.35Å; S232-F287 WeakPolarHBondContact O-CE2 3.48Å
233L97.2Very high95.4Very high44 Ų4418.4 Ų18.423%0.2310%0.099CC..Hα-helixtrans-69.2-43.4176.9178.961.7000112.5L202 F206 L229 W230 L231 T236 A237L202-L233 HydrophobicContact CD1-CD1 4.46Å; F206-L233 HydrophobicContact CB-CD2 3.9Å; F206-L233 HydrophobicContact CD1-CD2 4.35Å; F206-L233 HydrophobicContact CD2-CD2 3.62Å; F206-L233 HydrophobicContact CE2-CD2 4.19Å; F206-L233 HydrophobicContact CG-CD2 3.7Å; L229-L233 WeakPolarHBondContact O-CB 3.36Å; L229-L233 PolarHBondContact O-N 3.09Å; W230-L233 PolarHBondContact O-N 3.2Å; L231-L233 VanDerWaalsContact C-N 3.32Å; L231-L233 PolarHBondContact O-N 2.93Å; L233-T236 WeakPolarHBondContact O-CB 3.25Å; L233-T236 PolarHBondContact O-N 3.21Å; L233-A237 WeakPolarHBondContact O-CB 3.3Å; L233-A237 PolarHBondContact O-N 2.84Å
234D97.5Very high95.6Very high1 Ų117.1 Ų17.11%0.0059%0.086CC..Hα-helixtrans-66.6-54.8-175.7-172.728.1000111.3S207 W230 L231 T236 A237 C238 Y902 Y906S207-D234 WeakPolarHBondContact CB-OD1 3.4Å; S207-D234 VanDerWaalsContact OG-CG 3.24Å; S207-D234 PolarHBondContact OG-OD1 3.16Å; W230-D234 WeakPolarHBondContact O-CB 3.42Å; W230-D234 PolarHBondContact O-N 3.14Å; L231-D234 PolarHBondContact O-N 3.25Å; D234-T236 PolarHBondContact O-N 3.26Å; D234-A237 PolarHBondContact O-N 2.85Å; D234-A237 VanDerWaalsContact O-N 3.13Å; D234-C238 WeakPolarHBondContact O-CB 3.32Å; D234-C238 PolarHBondContact O-N 2.88Å; D234-C238 PolarHBondContact O-SG 3.12Å; D234-C238 PolarHBondContact OD1-SG 3.39Å; D234-C238 VanDerWaalsContact OD1-SG 3.36Å; D234-Y902 PolarHBondContact OD2-OH 2.95Å; D234-Y906 PolarHBondContact OD2-OH 3.11Å; D234-Y906 VanDerWaalsContact OD2-OH 3.09Å
235Y96.4Very high95.8Very high24 Ų2413.8 Ų13.89%0.0947%0.074CC..Hα-helixtrans-59.9-36.1176.3-80.8-103.4000111.7L231 L239 F286 I290 A310 F312 Y873L231-Y235 HydrophobicContact CD2-CE2 4.21Å; L231-Y235 WeakPolarHBondContact O-CB 3.49Å; L231-Y235 WeakPolarHBondContact O-CD2 3.27Å; L231-Y235 PolarHBondContact O-N 3.05Å; Y235-L239 WeakPolarHBondContact O-CB 3.5Å; Y235-L239 PolarHBondContact O-N 3.1Å; Y235-F286 HydrophobicContact CD1-CD1 4.03Å; Y235-F286 AromaticContact CD1-CE1 3.39Å; Y235-F286 HydrophobicContact CD1-CE1 3.39Å; Y235-F286 HydrophobicContact CD1-CE2 4.49Å; Y235-F286 AromaticContact CD1-CZ 3.67Å; Y235-F286 HydrophobicContact CD1-CZ 3.67Å; Y235-F286 HydrophobicContact CE1-CE1 4.33Å; Y235-F286 HydrophobicContact CG-CD1 4.04Å; Y235-F286 AromaticContact CG-CE1 3.87Å; Y235-F286 HydrophobicContact CG-CE1 3.87Å; Y235-F286 HydrophobicContact CG-CZ 4.25Å; Y235-F286 WeakPolarHBondContact O-CE2 3.48Å; Y235-I290 HydrophobicContact CD2-CD1 4.32Å; Y235-I290 HydrophobicContact CG-CD1 4.41Å; Y235-A310 HydrophobicContact CE2-CB 4.46Å; Y235-F312 HydrophobicContact CE1-CZ 4.15Å; Y235-Y873 PolarHBondContact OH-OH 3.33Å
236T97.2Very high95.9Very high4 Ų412.2 Ų12.23%0.0257%0.066CC..Hα-helixtrans-61.6-51.7172.1-700000112.1S232 L233 D234 L239 T240 P282 S283 F287S232-T236 WeakPolarHBondContact O-CB 3.42Å; S232-T236 PolarHBondContact O-N 3.01Å; S232-T236 PolarHBondContact O-OG1 3.35Å; L233-T236 WeakPolarHBondContact O-CB 3.25Å; L233-T236 PolarHBondContact O-N 3.21Å; D234-T236 PolarHBondContact O-N 3.26Å; T236-L239 PolarHBondContact O-N 3.22Å; T236-T240 VanDerWaalsContact O-CB 3.22Å; T236-T240 WeakPolarHBondContact O-CB 3.35Å; T236-T240 PolarHBondContact O-N 3.3Å; T236-T240 PolarHBondContact O-OG1 2.84Å; T236-P282 HydrophobicContact CG2-CB 4.32Å; T236-S283 VanDerWaalsContact CG2-OG 3.26Å; T236-S283 WeakPolarHBondContact CG2-OG 3.47Å; T236-F287 HydrophobicContact CG2-CE2 4.47Å; T236-F287 WeakPolarHBondContact OG1-CE2 3.26Å
237A97.6Very high95.9Very high1 Ų110.9 Ų10.91%0.0086%0.056CC..Hα-helixtrans-66.3-41.5-177.600000111.3L202 I203 L233 D234 T240 S241L202-A237 HydrophobicContact CB-CB 4.43Å; I203-A237 HydrophobicContact CD1-CB 4.32Å; I203-A237 HydrophobicContact CG1-CB 3.87Å; L233-A237 WeakPolarHBondContact O-CB 3.3Å; L233-A237 PolarHBondContact O-N 2.84Å; D234-A237 PolarHBondContact O-N 2.85Å; D234-A237 VanDerWaalsContact O-N 3.13Å; A237-T240 PolarHBondContact O-N 2.93Å; A237-S241 WeakPolarHBondContact O-CB 3.41Å; A237-S241 PolarHBondContact O-N 3.36Å
238C96.4Very high95.7Very high17 Ų1711.6 Ų11.612%0.1156%0.06CC..Hα-helixtrans-55.9-55.5173.1-74.10000112.1D234 T240 S241 Q242 W870D234-C238 WeakPolarHBondContact O-CB 3.32Å; D234-C238 PolarHBondContact O-N 2.88Å; D234-C238 PolarHBondContact O-SG 3.12Å; D234-C238 PolarHBondContact OD1-SG 3.39Å; D234-C238 VanDerWaalsContact OD1-SG 3.36Å; C238-T240 PolarHBondContact O-N 3.2Å; C238-S241 WeakPolarHBondContact O-CB 3.29Å; C238-S241 PolarHBondContact O-N 3.32Å; C238-Q242 PolarHBondContact O-N 3.32Å; C238-W870 HydrophobicContact CB-CH2 3.51Å; C238-W870 HydrophobicContact CB-CZ3 3.97Å
239L95.2Very high95.6Very high5 Ų511 Ų113%0.0266%0.056CC..Hα-helixtrans-69.7-32.4-179.5-173.665.6000112.5Y235 T236 S241 Q242 Y243 P282 F286 Y326Y235-L239 WeakPolarHBondContact O-CB 3.5Å; Y235-L239 PolarHBondContact O-N 3.1Å; T236-L239 PolarHBondContact O-N 3.22Å; L239-S241 VanDerWaalsContact C-N 3.35Å; L239-Q242 HydrophobicContact CD1-CG 4.5Å; L239-Q242 PolarHBondContact O-N 2.98Å; L239-Y243 HydrophobicContact CD1-CD1 3.78Å; L239-Y243 HydrophobicContact CD1-CE1 3.4Å; L239-Y243 HydrophobicContact CD1-CE2 4.47Å; L239-Y243 HydrophobicContact CD1-CG 4.47Å; L239-Y243 HydrophobicContact CD2-CE1 4.45Å; L239-Y243 HydrophobicContact CD2-CE2 4.17Å; L239-Y243 HydrophobicContact CG-CD1 4.2Å; L239-Y243 HydrophobicContact CG-CD2 4.4Å; L239-Y243 HydrophobicContact CG-CE1 3.99Å; L239-Y243 HydrophobicContact CG-CE2 4.2Å; L239-Y243 HydrophobicContact CG-CG 4.41Å; L239-Y243 WeakPolarHBondContact O-CB 3.44Å; L239-Y243 PolarHBondContact O-N 3.44Å; L239-P282 HydrophobicContact CB-CB 4.07Å; L239-P282 HydrophobicContact CB-CG 4.19Å; L239-P282 HydrophobicContact CD2-CB 4.09Å; L239-P282 HydrophobicContact CD2-CG 4.01Å; L239-P282 HydrophobicContact CG-CB 4.23Å; L239-P282 HydrophobicContact CG-CG 3.94Å; L239-F286 HydrophobicContact CB-CE2 3.84Å; L239-F286 HydrophobicContact CD2-CD2 4.31Å; L239-F286 HydrophobicContact CD2-CE2 3.59Å; L239-F286 HydrophobicContact CD2-CZ 4.47Å; L239-F286 HydrophobicContact CG-CE2 4.31Å; L239-Y326 HydrophobicContact CD1-CD2 3.73Å; L239-Y326 HydrophobicContact CD1-CG 4.28Å
240T97Very high95.4Very high0 Ų07.8 Ų7.80%04%0.039CC..Hα-helixtrans-63.9-40.3172.7-58.40000111.2T199 T236 A237 C238 T244 T278 W279T199-T240 HydrophobicContact CG2-CG2 3.42Å; T199-T240 VanDerWaalsContact CG2-CG2 3.42Å; T236-T240 VanDerWaalsContact O-CB 3.22Å; T236-T240 WeakPolarHBondContact O-CB 3.35Å; T236-T240 PolarHBondContact O-N 3.3Å; T236-T240 PolarHBondContact O-OG1 2.84Å; A237-T240 PolarHBondContact O-N 2.93Å; C238-T240 PolarHBondContact O-N 3.2Å; T240-T244 VanDerWaalsContact O-CB 3.28Å; T240-T244 WeakPolarHBondContact O-CB 3.48Å; T240-T244 PolarHBondContact O-N 2.97Å; T240-T244 PolarHBondContact O-OG1 3.5Å; T240-T278 WeakPolarHBondContact CG2-O 3.49Å; T240-T278 PolarHBondContact OG1-O 2.86Å; T240-W279 HydrophobicContact CG2-CD2 3.66Å; T240-W279 HydrophobicContact CG2-CE3 4.22Å; T240-W279 HydrophobicContact CG2-CG 3.78Å; T240-W279 HydrophobicContact CG2-CZ2 4.16Å
241S95.5Very high95.1Very high0 Ų07.5 Ų7.50%04%0.038CC..Hα-helixtrans-62.7-49.1174.5-171.40000110.4L196 T199 D200 A237 C238 L239 Y243 T244 V245L196-S241 WeakPolarHBondContact CD1-O 3.36Å; L196-S241 VanDerWaalsContact CD1-OG 3.24Å; L196-S241 WeakPolarHBondContact CD1-OG 3.26Å; T199-S241 WeakPolarHBondContact OG1-CB 3.29Å; D200-S241 PolarHBondContact OD1-OG 3.08Å; A237-S241 WeakPolarHBondContact O-CB 3.41Å; A237-S241 PolarHBondContact O-N 3.36Å; C238-S241 WeakPolarHBondContact O-CB 3.29Å; C238-S241 PolarHBondContact O-N 3.32Å; L239-S241 VanDerWaalsContact C-N 3.35Å; S241-Y243 PolarHBondContact O-N 3.36Å; S241-T244 WeakPolarHBondContact O-CB 3.36Å; S241-T244 PolarHBondContact O-N 2.93Å; S241-V245 WeakPolarHBondContact O-CG2 3.43Å; S241-V245 PolarHBondContact O-N 3.49Å
242Q94.8Very high94.7Very high2 Ų29.7 Ų9.71%0.0095%0.047CC..Hα-helixtrans-58-47.6175173.4168-0.600113.5C238 L239 T244 V245 L246 Y326 T330 M334 F866C238-Q242 PolarHBondContact O-N 3.32Å; L239-Q242 HydrophobicContact CD1-CG 4.5Å; L239-Q242 PolarHBondContact O-N 2.98Å; Q242-T244 VanDerWaalsContact C-N 3.3Å; Q242-T244 PolarHBondContact O-N 3.42Å; Q242-V245 PolarHBondContact O-N 2.85Å; Q242-L246 PolarHBondContact O-N 2.9Å; Q242-Y326 PolarHBondContact NE2-O 3.4Å; Q242-T330 PolarHBondContact NE2-OG1 3.31Å; Q242-M334 HydrophobicContact CG-CE 4.15Å; Q242-F866 HydrophobicContact CB-CE2 3.95Å; Q242-F866 HydrophobicContact CB-CZ 4.31Å; Q242-F866 HydrophobicContact CG-CE2 3.83Å; Q242-F866 HydrophobicContact CG-CZ 3.68Å
243Y94.8Very high94.4Very high11 Ų1112 Ų124%0.0436%0.057CC..Hα-helixtrans-68.9-30.3178.5-77.59000111.7L239 S241 L246 I247 I281 P282 T330L239-Y243 HydrophobicContact CD1-CD1 3.78Å; L239-Y243 HydrophobicContact CD1-CE1 3.4Å; L239-Y243 HydrophobicContact CD1-CE2 4.47Å; L239-Y243 HydrophobicContact CD1-CG 4.47Å; L239-Y243 HydrophobicContact CD2-CE1 4.45Å; L239-Y243 HydrophobicContact CD2-CE2 4.17Å; L239-Y243 HydrophobicContact CG-CD1 4.2Å; L239-Y243 HydrophobicContact CG-CD2 4.4Å; L239-Y243 HydrophobicContact CG-CE1 3.99Å; L239-Y243 HydrophobicContact CG-CE2 4.2Å; L239-Y243 HydrophobicContact CG-CG 4.41Å; L239-Y243 WeakPolarHBondContact O-CB 3.44Å; L239-Y243 PolarHBondContact O-N 3.44Å; S241-Y243 PolarHBondContact O-N 3.36Å; Y243-L246 WeakPolarHBondContact O-CB 3.37Å; Y243-L246 PolarHBondContact O-N 3.46Å; Y243-I247 WeakPolarHBondContact O-CG1 3.49Å; Y243-I247 PolarHBondContact O-N 3.25Å; Y243-I281 HydrophobicContact CE2-CG2 4.04Å; Y243-P282 HydrophobicContact CD2-CG 4.1Å; Y243-P282 HydrophobicContact CE2-CG 4.45Å; Y243-T330 HydrophobicContact CE1-CG2 3.96Å
244T95Very high94.1Very high1 Ų110.8 Ų10.81%0.0065%0.052CC..Hα-helixtrans-63.8-42.6170.4-61.10000111.2F192 L196 T240 S241 Q242 I247 I248F192-T244 HydrophobicContact CB-CG2 4.17Å; F192-T244 WeakPolarHBondContact O-CG2 3.44Å; L196-T244 HydrophobicContact CB-CG2 4.04Å; L196-T244 HydrophobicContact CD1-CG2 3.94Å; T240-T244 VanDerWaalsContact O-CB 3.28Å; T240-T244 WeakPolarHBondContact O-CB 3.48Å; T240-T244 PolarHBondContact O-N 2.97Å; T240-T244 PolarHBondContact O-OG1 3.5Å; S241-T244 WeakPolarHBondContact O-CB 3.36Å; S241-T244 PolarHBondContact O-N 2.93Å; Q242-T244 VanDerWaalsContact C-N 3.3Å; Q242-T244 PolarHBondContact O-N 3.42Å; T244-I247 PolarHBondContact O-N 3.03Å; T244-I248 HydrophobicContact CG2-CD1 4.06Å; T244-I248 VanDerWaalsContact O-CG1 3.27Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.68Å
245V93.4Very high93.7Very high1 Ų112.3 Ų12.31%0.0066%0.062CC..Hα-helixtrans-64.6-38.5174.6177.10000112.1L196 S241 Q242 I248 T249 M334 I862 M863 F866L196-V245 HydrophobicContact CD1-CG2 3.95Å; L196-V245 HydrophobicContact CD2-CG2 4.5Å; S241-V245 WeakPolarHBondContact O-CG2 3.43Å; S241-V245 PolarHBondContact O-N 3.49Å; Q242-V245 PolarHBondContact O-N 2.85Å; V245-I248 PolarHBondContact O-N 2.87Å; V245-T249 WeakPolarHBondContact O-CB 3.38Å; V245-T249 PolarHBondContact O-N 2.88Å; V245-T249 PolarHBondContact O-OG1 3.36Å; V245-M334 HydrophobicContact CB-SD 4.42Å; V245-M334 HydrophobicContact CG1-SD 3.93Å; V245-I862 HydrophobicContact CG1-CG2 4.23Å; V245-I862 HydrophobicContact CG2-CG2 4.44Å; V245-M863 HydrophobicContact CG1-SD 4.01Å; V245-F866 HydrophobicContact CG1-CD2 4.46Å
246L93.4Very high93.2Very high1 Ų113 Ų131%0.0057%0.069CC..Hα-helixtrans-59.3-50.9172.1172.260.1000111.2L12 Q242 Y243 I248 T249 I250 T330 V333 M334 L337L12-L246 HydrophobicContact CD2-CD2 4.14Å; Q242-L246 PolarHBondContact O-N 2.9Å; Y243-L246 WeakPolarHBondContact O-CB 3.37Å; Y243-L246 PolarHBondContact O-N 3.46Å; L246-I248 PolarHBondContact O-N 3.23Å; L246-T249 WeakPolarHBondContact O-CB 3.44Å; L246-T249 PolarHBondContact O-N 3.39Å; L246-T249 VanDerWaalsContact O-N 3.15Å; L246-I250 HydrophobicContact CD1-CD1 3.83Å; L246-I250 HydrophobicContact CD1-CG1 4.38Å; L246-I250 HydrophobicContact CG-CD1 3.88Å; L246-I250 WeakPolarHBondContact O-CD1 3.36Å; L246-I250 VanDerWaalsContact O-CG1 3.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.24Å; L246-I250 PolarHBondContact O-N 3.35Å; L246-T330 HydrophobicContact CD2-CG2 4.28Å; L246-V333 HydrophobicContact CD1-CG1 3.88Å; L246-M334 HydrophobicContact CB-CE 4.23Å; L246-M334 HydrophobicContact CB-CG 4.1Å; L246-M334 HydrophobicContact CB-SD 3.92Å; L246-M334 HydrophobicContact CD1-CG 3.61Å; L246-M334 HydrophobicContact CG-CG 4.45Å; L246-L337 HydrophobicContact CD1-CD1 4.38Å
247I93.4Very high92.7Very high7 Ų719.9 Ų19.94%0.03610%0.095CC..Hα-helixtrans-64.7-37.1178.8-65.6-64.3000112.1L12 F192 Y243 T244 I250 D251 T278L12-I247 HydrophobicContact CD1-CD1 3.85Å; F192-I247 HydrophobicContact CD1-CG2 3.88Å; F192-I247 HydrophobicContact CD2-CG2 4.4Å; F192-I247 HydrophobicContact CE1-CG2 3.35Å; F192-I247 HydrophobicContact CE2-CG2 3.92Å; F192-I247 HydrophobicContact CG-CG2 4.39Å; F192-I247 HydrophobicContact CZ-CG2 3.36Å; Y243-I247 WeakPolarHBondContact O-CG1 3.49Å; Y243-I247 PolarHBondContact O-N 3.25Å; T244-I247 PolarHBondContact O-N 3.03Å; I247-I250 HydrophobicContact CD1-CD1 4.06Å; I247-I250 PolarHBondContact O-N 2.94Å; I247-D251 PolarHBondContact O-N 2.96Å; I247-T278 HydrophobicContact CG1-CG2 3.74Å
248I92.2Very high92.3Very high15 Ų1523.8 Ų23.88%0.07711%0.114CC..Hα-helixtrans-58.1-49.1170.6-72.6165.9000110.1F192 T244 V245 L246 I250 D251 R252F192-I248 HydrophobicContact CB-CD1 3.91Å; F192-I248 HydrophobicContact CB-CG1 3.48Å; F192-I248 VanDerWaalsContact CB-CG1 3.48Å; F192-I248 HydrophobicContact CD2-CG1 4.36Å; F192-I248 HydrophobicContact CG-CG1 4.17Å; T244-I248 HydrophobicContact CG2-CD1 4.06Å; T244-I248 VanDerWaalsContact O-CG1 3.27Å; T244-I248 WeakPolarHBondContact O-CG1 3.34Å; T244-I248 PolarHBondContact O-N 2.68Å; V245-I248 PolarHBondContact O-N 2.87Å; L246-I248 PolarHBondContact O-N 3.23Å; I248-I250 PolarHBondContact O-N 3.39Å; I248-D251 PolarHBondContact O-N 3.3Å; I248-R252 HydrophobicContact CG2-CG 4.45Å; I248-R252 WeakPolarHBondContact O-CG 3.07Å; I248-R252 PolarHBondContact O-N 3.07Å
249T92.2Very high91.8Very high2 Ų226.8 Ų26.81%0.01213%0.134CC..Hα-helixtrans-58.8-36.5178.6-59.20000111.4V245 L246 R252 F253 L337 I341 M863V245-T249 WeakPolarHBondContact O-CB 3.38Å; V245-T249 PolarHBondContact O-N 2.88Å; V245-T249 PolarHBondContact O-OG1 3.36Å; L246-T249 WeakPolarHBondContact O-CB 3.44Å; L246-T249 PolarHBondContact O-N 3.39Å; L246-T249 VanDerWaalsContact O-N 3.15Å; T249-R252 PolarHBondContact O-N 2.94Å; T249-F253 WeakPolarHBondContact O-CB 3.02Å; T249-F253 PolarHBondContact O-N 2.8Å; T249-L337 HydrophobicContact CG2-CB 3.73Å; T249-L337 HydrophobicContact CG2-CD1 4.33Å; T249-I341 HydrophobicContact CG2-CD1 4.16Å; T249-M863 PolarHBondContact OG1-SD 3.42Å
250I91.7Very high91.4Very high13 Ų1330 Ų307%0.06716%0.161CC..Hα-helixtrans-71.9-44.9176-62.5154.1000112.8L8 L246 I247 I248 R252 F253 C254 L337L8-I250 HydrophobicContact CD1-CD1 3.47Å; L8-I250 VanDerWaalsContact CD1-CD1 3.47Å; L8-I250 HydrophobicContact CD1-CG1 4.27Å; L8-I250 HydrophobicContact CD1-CG2 4.3Å; L8-I250 HydrophobicContact CD2-CD1 4.45Å; L8-I250 HydrophobicContact CD2-CG2 3.66Å; L246-I250 HydrophobicContact CD1-CD1 3.83Å; L246-I250 HydrophobicContact CD1-CG1 4.38Å; L246-I250 HydrophobicContact CG-CD1 3.88Å; L246-I250 WeakPolarHBondContact O-CD1 3.36Å; L246-I250 VanDerWaalsContact O-CG1 3.3Å; L246-I250 WeakPolarHBondContact O-CG1 3.24Å; L246-I250 PolarHBondContact O-N 3.35Å; I247-I250 HydrophobicContact CD1-CD1 4.06Å; I247-I250 PolarHBondContact O-N 2.94Å; I248-I250 PolarHBondContact O-N 3.39Å; I250-R252 PolarHBondContact O-N 3.36Å; I250-F253 PolarHBondContact O-N 3.18Å; I250-C254 WeakPolarHBondContact O-CB 3.42Å; I250-C254 PolarHBondContact O-N 2.81Å; I250-C254 PolarHBondContact O-SG 3.28Å; I250-C254 VanDerWaalsContact O-SG 3.39Å; I250-L337 HydrophobicContact CD1-CD1 4.44Å; I250-L337 HydrophobicContact CG1-CD1 3.54Å
251D91Very high90.9Very high3 Ų335.9 Ų35.92%0.01619%0.187CC..Hα-helixtrans-53.8-40.7172.916983.1000110.7S189 F192 I247 I248 S255 Y262 R266S189-D251 PolarHBondContact OG-OD1 3.41Å; S189-D251 PolarHBondContact OG-OD2 2.86Å; F192-D251 HydrophobicContact CE2-CB 4.15Å; I247-D251 PolarHBondContact O-N 2.96Å; I248-D251 PolarHBondContact O-N 3.3Å; D251-S255 WeakPolarHBondContact O-CB 3.44Å; D251-S255 PolarHBondContact O-N 3.42Å; D251-S255 PolarHBondContact O-OG 3.39Å; D251-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; D251-Y262 PolarHBondContact OD1-OH 2.78Å; D251-R266 WeakPolarHBondContact OD1-CD 3.38Å; D251-R266 IonicContact OD1-CZ 2.65Å; D251-R266 IonicContact OD1-NH1 3.65Å; D251-R266 PolarHBondContact OD1-NH1 2.68Å; D251-R266 IonicContact OD2-NH1 3.8Å
252R90Very high90.6Very high52 Ų5236.8 Ų36.820%0.19619%0.19CC..Hα-helixtrans-71.4-45.4178.9-61.6-62.6-178.2-130.85112.3S189 I248 T249 I250 C254 S255 V256 I341 I859S189-R252 PolarHBondContact OG-NH1 3.29Å; I248-R252 HydrophobicContact CG2-CG 4.45Å; I248-R252 WeakPolarHBondContact O-CG 3.07Å; I248-R252 PolarHBondContact O-N 3.07Å; T249-R252 PolarHBondContact O-N 2.94Å; I250-R252 PolarHBondContact O-N 3.36Å; R252-C254 PolarHBondContact O-N 3.4Å; R252-S255 PolarHBondContact O-N 3.17Å; R252-V256 WeakPolarHBondContact O-CB 3.2Å; R252-V256 VanDerWaalsContact O-CG2 3.29Å; R252-V256 WeakPolarHBondContact O-CG2 3.48Å; R252-V256 PolarHBondContact O-N 3.5Å; R252-I341 HydrophobicContact CB-CD1 3.94Å; R252-I859 HydrophobicContact CB-CD1 3.69Å; R252-I859 HydrophobicContact CG-CD1 3.51Å; R252-I859 HydrophobicContact CG-CG1 4.04Å
253F90.5Very high90.1Very high49 Ų4946 Ų4622%0.21523%0.225CC..Hα-helixtrans-60.3-45.5174.7-178.5-110.3000112.2T249 I250 V256 R257 L337 I341T249-F253 WeakPolarHBondContact O-CB 3.02Å; T249-F253 PolarHBondContact O-N 2.8Å; I250-F253 PolarHBondContact O-N 3.18Å; F253-V256 PolarHBondContact O-N 2.96Å; F253-R257 WeakPolarHBondContact O-CB 2.97Å; F253-R257 PolarHBondContact O-N 2.98Å; F253-L337 HydrophobicContact CB-CD2 4.33Å; F253-L337 HydrophobicContact CD1-CD2 3.74Å; F253-L337 HydrophobicContact CE1-CD2 4.11Å; F253-L337 HydrophobicContact CG-CD2 3.96Å; F253-I341 HydrophobicContact CB-CD1 4.22Å; F253-I341 HydrophobicContact CB-CG1 3.82Å; F253-I341 HydrophobicContact CD2-CG1 4Å; F253-I341 HydrophobicContact CG-CG1 4.43Å
254C90.8Very high89.9Confident18 Ų1851.5 Ų51.512%0.12226%0.255CS..Hα-helixtrans-66.5-42.3177.4-67.40000112.4I250 R252 V256 I258 Y262I250-C254 WeakPolarHBondContact O-CB 3.42Å; I250-C254 PolarHBondContact O-N 2.81Å; I250-C254 PolarHBondContact O-SG 3.28Å; I250-C254 VanDerWaalsContact O-SG 3.39Å; R252-C254 PolarHBondContact O-N 3.4Å; C254-V256 PolarHBondContact O-N 3.49Å; C254-I258 CarbonylContact O-C 3.56Å; C254-I258 PolarHBondContact O-N 3.4Å; C254-Y262 HydrophobicContact CB-CD1 3.84Å; C254-Y262 HydrophobicContact CB-CD2 3.52Å; C254-Y262 HydrophobicContact CB-CE1 3.93Å; C254-Y262 HydrophobicContact CB-CE2 3.62Å; C254-Y262 HydrophobicContact CB-CG 3.63Å
255S88.4Confident89.6Confident33 Ų3353.5 Ų53.523%0.23126%0.262CS..Hα-helixtrans-62.6-39.4176-66.30000112.9D251 R252 P259 Y262D251-S255 WeakPolarHBondContact O-CB 3.44Å; D251-S255 PolarHBondContact O-N 3.42Å; D251-S255 PolarHBondContact O-OG 3.39Å; R252-S255 PolarHBondContact O-N 3.17Å; S255-P259 WeakPolarHBondContact O-CA 3.49Å; S255-P259 WeakPolarHBondContact O-CB 3.39Å; S255-Y262 WeakPolarHBondContact OG-CD1 3.44Å; S255-Y262 WeakPolarHBondContact OG-CE1 3.33Å
256V86.8Confident89.3Confident39 Ų3956.4 Ų56.424%0.23627%0.273CS..Hα-helixtrans-78.6-40.3-179.6171.10000111.5R252 F253 C254 V344 L348R252-V256 WeakPolarHBondContact O-CB 3.2Å; R252-V256 VanDerWaalsContact O-CG2 3.29Å; R252-V256 WeakPolarHBondContact O-CG2 3.48Å; R252-V256 PolarHBondContact O-N 3.5Å; F253-V256 PolarHBondContact O-N 2.96Å; C254-V256 PolarHBondContact O-N 3.49Å; V256-V344 HydrophobicContact CG1-CB 4.02Å; V256-V344 HydrophobicContact CG1-CG1 3.7Å; V256-L348 HydrophobicContact CG1-CD1 4.14Å
257R87.6Confident89.1Confident148 Ų14858.5 Ų58.556%0.55829%0.286SS*.Hα-helixtrans-87.2-29.2-173.5-168.4165.7178.272.7-5.7114.8F253 V344F253-R257 WeakPolarHBondContact O-CB 2.97Å; F253-R257 PolarHBondContact O-N 2.98Å; R257-V344 HydrophobicContact CB-CG1 4.49Å; R257-V344 HydrophobicContact CB-CG2 4.46Å; R257-V344 HydrophobicContact CG-CG2 4.21Å; R257-V344 VanDerWaalsContact NH1-CG2 3.27Å
258I87.5Confident88.9Confident82 Ų8263.2 Ų63.242%0.42131%0.308SS..SBendtrans-138.754.4-178.3-36.1-180000111.6C254 A260 K261 Y262C254-I258 CarbonylContact O-C 3.56Å; C254-I258 PolarHBondContact O-N 3.4Å; I258-A260 PolarHBondContact O-N 3.08Å; I258-K261 HydrophobicContact CG2-CB 3.68Å; I258-K261 PolarHBondContact O-N 3.29Å; I258-Y262 WeakPolarHBondContact O-CB 3.46Å; I258-Y262 PolarHBondContact O-N 2.69Å
259P86.2Confident88.8Confident81 Ų8172 Ų7253%0.52634%0.34SS..Hα-helixtrans-53.6-49.7-16416.3-31.1000115S255 R263S255-P259 WeakPolarHBondContact O-CA 3.49Å; S255-P259 WeakPolarHBondContact O-CB 3.39Å; P259-R263 WeakPolarHBondContact O-CB 3.34Å; P259-R263 PolarHBondContact O-N 3.1Å
260A86.6Confident88.8Confident73 Ų7375.4 Ų75.460%0.60336%0.355SS*.Hα-helixtrans-66.6-46.8-177.500000112.3I258 R263 N264I258-A260 PolarHBondContact O-N 3.08Å; A260-R263 PolarHBondContact O-N 3.27Å; A260-N264 PolarHBondContact O-N 3.37Å; A260-N264 PolarHBondContact O-OD1 3.4Å
261K87.5Confident88.8Confident123 Ų12374.8 Ų74.854%0.53535%0.352SS..Hα-helixtrans-72.5-34.6-176.2-141.3178.4179.3137.10112.2M1 I258 W265M1-K261 HydrophobicContact CB-CD 4.31Å; M1-K261 HydrophobicContact CG-CD 4.4Å; M1-K261 HydrophobicContact SD-CB 4.2Å; M1-K261 HydrophobicContact SD-CD 3.59Å; M1-K261 VanDerWaalsContact SD-CD 3.59Å; M1-K261 HydrophobicContact SD-CG 3.53Å; M1-K261 VanDerWaalsContact SD-CG 3.53Å; I258-K261 HydrophobicContact CG2-CB 3.68Å; I258-K261 PolarHBondContact O-N 3.29Å; K261-W265 PolarHBondContact O-N 2.95Å
262Y88Confident88.9Confident18 Ų1878.5 Ų78.57%0.07137%0.371CS..Hα-helixtrans-71.2-42.3174.5-172.1-116.1000112M5 D251 C254 S255 I258 N264 W265 R266M5-Y262 HydrophobicContact SD-CE2 4.39Å; D251-Y262 WeakPolarHBondContact OD1-CE1 3.44Å; D251-Y262 PolarHBondContact OD1-OH 2.78Å; C254-Y262 HydrophobicContact CB-CD1 3.84Å; C254-Y262 HydrophobicContact CB-CD2 3.52Å; C254-Y262 HydrophobicContact CB-CE1 3.93Å; C254-Y262 HydrophobicContact CB-CE2 3.62Å; C254-Y262 HydrophobicContact CB-CG 3.63Å; S255-Y262 WeakPolarHBondContact OG-CD1 3.44Å; S255-Y262 WeakPolarHBondContact OG-CE1 3.33Å; I258-Y262 WeakPolarHBondContact O-CB 3.46Å; I258-Y262 PolarHBondContact O-N 2.69Å; Y262-N264 VanDerWaalsContact C-N 3.29Å; Y262-N264 PolarHBondContact O-N 2.92Å; Y262-W265 HydrophobicContact CD2-CE3 4Å; Y262-W265 AromaticContact CE2-CE3 3.63Å; Y262-W265 HydrophobicContact CE2-CE3 3.63Å; Y262-W265 AromaticContact CE2-CZ3 3.72Å; Y262-W265 HydrophobicContact CE2-CZ3 3.72Å; Y262-W265 PolarHBondContact O-N 3.03Å; Y262-W265 VanDerWaalsContact O-N 3.1Å; Y262-R266 HydrophobicContact CE1-CG 4.49Å; Y262-R266 VanDerWaalsContact O-CB 3.29Å; Y262-R266 WeakPolarHBondContact O-CB 3.38Å; Y262-R266 PolarHBondContact O-N 3.41Å
263R86.2Confident89.1Confident197 Ų19780 Ų8074%0.74338%0.382SS*.Hα-helixtrans-54.6-43.9175.1-177.4-179.3-179-160-2.1112.1P259 A260P259-R263 WeakPolarHBondContact O-CB 3.34Å; P259-R263 PolarHBondContact O-N 3.1Å; A260-R263 PolarHBondContact O-N 3.27Å
264N89Confident89.1Confident126 Ų12678.1 Ų78.167%0.67437%0.374SS*.Hα-helixtrans-75.4-25.2-179.5-66.222.9000112.9A260 Y262A260-N264 PolarHBondContact O-N 3.37Å; A260-N264 PolarHBondContact O-OD1 3.4Å; Y262-N264 VanDerWaalsContact C-N 3.29Å; Y262-N264 PolarHBondContact O-N 2.92Å
265W88.7Confident89.3Confident42 Ų4278.4 Ų78.416%0.15938%0.376CS..Hα-helixtrans-77.1-34.5173.5175.690.7000112.5M1 M5 K261 Y262 T267 K270 L274M1-W265 HydrophobicContact CE-CB 4.17Å; M1-W265 HydrophobicContact CE-CG 4.37Å; M5-W265 HydrophobicContact SD-CD2 4.22Å; M5-W265 HydrophobicContact SD-CE3 4.22Å; M5-W265 HydrophobicContact SD-CH2 3.88Å; M5-W265 HydrophobicContact SD-CZ2 3.86Å; M5-W265 HydrophobicContact SD-CZ3 4.07Å; K261-W265 PolarHBondContact O-N 2.95Å; Y262-W265 HydrophobicContact CD2-CE3 4Å; Y262-W265 AromaticContact CE2-CE3 3.63Å; Y262-W265 HydrophobicContact CE2-CE3 3.63Å; Y262-W265 AromaticContact CE2-CZ3 3.72Å; Y262-W265 HydrophobicContact CE2-CZ3 3.72Å; Y262-W265 PolarHBondContact O-N 3.03Å; Y262-W265 VanDerWaalsContact O-N 3.1Å; W265-T267 PolarHBondContact O-N 3.23Å; W265-K270 HydrophobicContact CD2-CD 4.24Å; W265-K270 HydrophobicContact CH2-CB 4.48Å; W265-K270 HydrophobicContact CH2-CD 4.36Å; W265-K270 HydrophobicContact CZ2-CD 3.94Å; W265-K270 WeakPolarHBondContact O-CD 3.34Å; W265-K270 PolarHBondContact O-NZ 3.02Å; W265-L274 HydrophobicContact CH2-CD1 4.33Å
266R87Confident89.7Confident63 Ų6379 Ų7924%0.23838%0.382CS..  trans-80.283.3-167.6-168.1-178.168172.47.4113.1A188 S189 D251 Y262 I271A188-R266 HydrophobicContact CB-CG 4.24Å; S189-R266 PolarHBondContact OG-NH1 3.17Å; D251-R266 WeakPolarHBondContact OD1-CD 3.38Å; D251-R266 IonicContact OD1-CZ 2.65Å; D251-R266 IonicContact OD1-NH1 3.65Å; D251-R266 PolarHBondContact OD1-NH1 2.68Å; D251-R266 IonicContact OD2-NH1 3.8Å; Y262-R266 HydrophobicContact CE1-CG 4.49Å; Y262-R266 VanDerWaalsContact O-CB 3.29Å; Y262-R266 WeakPolarHBondContact O-CB 3.38Å; Y262-R266 PolarHBondContact O-N 3.41Å; R266-I271 HydrophobicContact CG-CD1 3.79Å; R266-I271 HydrophobicContact CG-CG1 4.07Å
267T89.4Confident89.9Confident45 Ų4579.4 Ų79.428%0.27639%0.385SS..  trans-90.8153.9170.460.90000111.9W265 R269 K270 I271 F777W265-T267 PolarHBondContact O-N 3.23Å; T267-R269 PolarHBondContact O-N 3.2Å; T267-K270 PolarHBondContact O-N 2.7Å; T267-K270 VanDerWaalsContact O-N 3.11Å; T267-K270 WeakPolarHBondContact OG1-CD 3.5Å; T267-K270 WeakPolarHBondContact OG1-CG 3.42Å; T267-I271 PolarHBondContact O-N 2.93Å; T267-F777 HydrophobicContact CG2-CE1 4.02Å
268E89.2Confident90.2Very high106 Ų10672.8 Ų72.850%0.49536%0.361SS..Hα-helixtrans-57-46.2-179-176.2167.5-16300112.8Y191 K270 I271 L272Y191-E268 HydrophobicContact CE2-CG 3.99Å; Y191-E268 WeakPolarHBondContact CE2-OE1 3.26Å; Y191-E268 VanDerWaalsContact CZ-OE1 3.23Å; Y191-E268 PolarHBondContact OH-OE1 2.99Å; E268-K270 PolarHBondContact O-N 2.96Å; E268-K270 VanDerWaalsContact O-N 3.16Å; E268-I271 WeakPolarHBondContact O-CA 3.44Å; E268-I271 WeakPolarHBondContact O-CB 3.42Å; E268-I271 PolarHBondContact O-N 2.8Å; E268-L272 HydrophobicContact CG-CD1 4.22Å; E268-L272 PolarHBondContact O-N 3.02Å
269R90.8Very high90.7Very high200 Ų20071.8 Ų71.876%0.75535%0.352SS*.Hα-helixtrans-53.1-37.4175-175.4175.5177.6-179.50.2113.1T267 I273T267-R269 PolarHBondContact O-N 3.2Å; R269-I273 HydrophobicContact CG-CD1 4.13Å; R269-I273 WeakPolarHBondContact O-CD1 3.38Å; R269-I273 VanDerWaalsContact O-CG1 3.23Å; R269-I273 WeakPolarHBondContact O-CG1 3.42Å; R269-I273 PolarHBondContact O-N 2.78Å
270K91.3Very high91.1Very high72 Ų7273.2 Ų73.231%0.31335%0.354SS..Hα-helixtrans-73.9-33.8177.7-67.2173.8-171.31710112.6W265 T267 E268 L274W265-K270 HydrophobicContact CD2-CD 4.24Å; W265-K270 HydrophobicContact CH2-CB 4.48Å; W265-K270 HydrophobicContact CH2-CD 4.36Å; W265-K270 HydrophobicContact CZ2-CD 3.94Å; W265-K270 WeakPolarHBondContact O-CD 3.34Å; W265-K270 PolarHBondContact O-NZ 3.02Å; T267-K270 PolarHBondContact O-N 2.7Å; T267-K270 VanDerWaalsContact O-N 3.11Å; T267-K270 WeakPolarHBondContact OG1-CD 3.5Å; T267-K270 WeakPolarHBondContact OG1-CG 3.42Å; E268-K270 PolarHBondContact O-N 2.96Å; E268-K270 VanDerWaalsContact O-N 3.16Å; K270-L274 WeakPolarHBondContact O-CG 3.5Å; K270-L274 PolarHBondContact O-N 3.42Å
271I92.3Very high91.3Very high0 Ų070.8 Ų70.80%033%0.33CS..Hα-helixtrans-66.7-45174.1-64.1-67.5000110.2A188 Y191 F192 R266 T267 E268 I273 L274 V275A188-I271 HydrophobicContact CB-CG1 4.17Å; A188-I271 WeakPolarHBondContact O-CG2 3.49Å; Y191-I271 HydrophobicContact CD2-CG2 4.4Å; Y191-I271 HydrophobicContact CG-CG2 4.23Å; F192-I271 HydrophobicContact CE1-CG2 4.05Å; F192-I271 HydrophobicContact CE2-CD1 3.68Å; F192-I271 HydrophobicContact CE2-CG2 4.35Å; F192-I271 HydrophobicContact CZ-CD1 3.5Å; F192-I271 VanDerWaalsContact CZ-CD1 3.5Å; F192-I271 HydrophobicContact CZ-CG2 3.91Å; R266-I271 HydrophobicContact CG-CD1 3.79Å; R266-I271 HydrophobicContact CG-CG1 4.07Å; T267-I271 PolarHBondContact O-N 2.93Å; E268-I271 WeakPolarHBondContact O-CA 3.44Å; E268-I271 WeakPolarHBondContact O-CB 3.42Å; E268-I271 PolarHBondContact O-N 2.8Å; I271-I273 VanDerWaalsContact C-N 3.32Å; I271-I273 PolarHBondContact O-N 3.48Å; I271-L274 PolarHBondContact O-N 3.42Å; I271-L274 VanDerWaalsContact O-N 3.15Å; I271-V275 WeakPolarHBondContact O-CG2 3.36Å; I271-V275 PolarHBondContact O-N 3.43Å
272L93.2Very high91.6Very high81 Ų8164.9 Ų64.942%0.42431%0.305SS..Hα-helixtrans-62.1-38.7176-66.6172.5000112.1Y191 E268 V275 A276Y191-L272 HydrophobicContact CD1-CD2 3.85Å; Y191-L272 HydrophobicContact CE1-CD2 3.88Å; E268-L272 HydrophobicContact CG-CD1 4.22Å; E268-L272 PolarHBondContact O-N 3.02Å; L272-V275 PolarHBondContact O-N 3.03Å; L272-A276 WeakPolarHBondContact O-CB 3.49Å; L272-A276 PolarHBondContact O-N 2.88Å
273I93.5Very high91.9Very high85 Ų8565.9 Ų65.944%0.43631%0.314SS..Hα-helixtrans-63.4-44.2171.9-70163.3000111.4R269 I271 V275 A276 V277R269-I273 HydrophobicContact CG-CD1 4.13Å; R269-I273 WeakPolarHBondContact O-CD1 3.38Å; R269-I273 VanDerWaalsContact O-CG1 3.23Å; R269-I273 WeakPolarHBondContact O-CG1 3.42Å; R269-I273 PolarHBondContact O-N 2.78Å; I271-I273 VanDerWaalsContact C-N 3.32Å; I271-I273 PolarHBondContact O-N 3.48Å; I273-V275 VanDerWaalsContact C-N 3.33Å; I273-V275 PolarHBondContact O-N 3.04Å; I273-A276 PolarHBondContact O-N 3.01Å; I273-V277 HydrophobicContact CG2-CG2 4.43Å; I273-V277 WeakPolarHBondContact O-CB 3.41Å; I273-V277 VanDerWaalsContact O-CG2 3.29Å; I273-V277 WeakPolarHBondContact O-CG2 3.28Å; I273-V277 PolarHBondContact O-N 3.49Å
274L92.3Very high92.2Very high9 Ų959 Ų595%0.04730%0.297CS..Hα-helixtrans-61.7-40.6176.1-75.4171.2000112.1F9 F192 W265 K270 I271 V277 T278F9-L274 HydrophobicContact CE1-CD2 4.2Å; F9-L274 HydrophobicContact CZ-CD2 3.81Å; F192-L274 HydrophobicContact CE1-CB 4.15Å; F192-L274 HydrophobicContact CZ-CB 4.41Å; F192-L274 HydrophobicContact CZ-CD1 4.26Å; W265-L274 HydrophobicContact CH2-CD1 4.33Å; K270-L274 WeakPolarHBondContact O-CG 3.5Å; K270-L274 PolarHBondContact O-N 3.42Å; I271-L274 PolarHBondContact O-N 3.42Å; I271-L274 VanDerWaalsContact O-N 3.15Å; L274-V277 PolarHBondContact O-N 3.16Å; L274-T278 WeakPolarHBondContact O-CG2 3.48Å; L274-T278 PolarHBondContact O-N 3.22Å; L274-T278 PolarHBondContact O-OG1 3.24Å
275V94.9Very high92.2Very high24 Ų2453.3 Ų53.315%0.14527%0.266CS..Hα-helixtrans-61.5-51.9173.4170.80000110.4F192 I271 L272 I273 V277 T278 W279F192-V275 HydrophobicContact CD1-CG2 3.71Å; F192-V275 HydrophobicContact CE1-CG2 3.87Å; I271-V275 WeakPolarHBondContact O-CG2 3.36Å; I271-V275 PolarHBondContact O-N 3.43Å; L272-V275 PolarHBondContact O-N 3.03Å; I273-V275 VanDerWaalsContact C-N 3.33Å; I273-V275 PolarHBondContact O-N 3.04Å; V275-V277 VanDerWaalsContact C-N 3.29Å; V275-V277 PolarHBondContact O-N 2.92Å; V275-T278 WeakPolarHBondContact CA-OG1 3.49Å; V275-T278 PolarHBondContact O-N 3.15Å; V275-T278 PolarHBondContact O-OG1 2.71Å; V275-W279 PolarHBondContact O-N 3.23Å
276A95.4Very high92.5Very high44 Ų4451.4 Ų51.436%0.36426%0.259SS..Hα-helixtrans-56.5-42.4178.700000112.4L272 I273 T278 W279 I280L272-A276 WeakPolarHBondContact O-CB 3.49Å; L272-A276 PolarHBondContact O-N 2.88Å; I273-A276 PolarHBondContact O-N 3.01Å; A276-T278 VanDerWaalsContact C-N 3.35Å; A276-T278 PolarHBondContact O-N 3.46Å; A276-W279 PolarHBondContact O-N 2.83Å; A276-I280 HydrophobicContact CB-CD1 4.41Å; A276-I280 WeakPolarHBondContact O-CB 3.5Å; A276-I280 VanDerWaalsContact O-CG1 3.27Å; A276-I280 WeakPolarHBondContact O-CG1 3.39Å; A276-I280 PolarHBondContact O-N 3.39Å
277V92.2Very high92.9Very high49 Ų4951.9 Ų51.930%0.29726%0.263SS..Hα-helixtrans-61.7-39.3175168.90000112.1I273 L274 V275 W279 I281I273-V277 HydrophobicContact CG2-CG2 4.43Å; I273-V277 WeakPolarHBondContact O-CB 3.41Å; I273-V277 VanDerWaalsContact O-CG2 3.29Å; I273-V277 WeakPolarHBondContact O-CG2 3.28Å; I273-V277 PolarHBondContact O-N 3.49Å; L274-V277 PolarHBondContact O-N 3.16Å; V275-V277 VanDerWaalsContact C-N 3.29Å; V275-V277 PolarHBondContact O-N 2.92Å; V277-W279 VanDerWaalsContact C-N 3.26Å; V277-W279 PolarHBondContact O-N 2.99Å; V277-I281 HydrophobicContact CG1-CD1 3.59Å; V277-I281 HydrophobicContact CG1-CG1 4.34Å; V277-I281 PolarHBondContact O-N 3.26Å
278T94Very high92.9Very high8 Ų852.7 Ų52.75%0.04927%0.268CS..Hα-helixtrans-69.3-17.5177.250.60000114.5T240 I247 L274 V275 A276 P282T240-T278 WeakPolarHBondContact CG2-O 3.49Å; T240-T278 PolarHBondContact OG1-O 2.86Å; I247-T278 HydrophobicContact CG1-CG2 3.74Å; L274-T278 WeakPolarHBondContact O-CG2 3.48Å; L274-T278 PolarHBondContact O-N 3.22Å; L274-T278 PolarHBondContact O-OG1 3.24Å; V275-T278 WeakPolarHBondContact CA-OG1 3.49Å; V275-T278 PolarHBondContact O-N 3.15Å; V275-T278 PolarHBondContact O-OG1 2.71Å; A276-T278 VanDerWaalsContact C-N 3.35Å; A276-T278 PolarHBondContact O-N 3.46Å; T278-P282 WeakPolarHBondContact O-CD 3.19Å; T278-P282 VanDerWaalsContact O-CG 3.25Å; T278-P282 WeakPolarHBondContact O-CG 3.42Å
279W96.6Very high93Very high62 Ų6247.8 Ų47.824%0.23525%0.245CC..Hα-helixtrans-90.5-49.8170.3-76.578.9000111.7S195 V198 T199 L202 T240 V275 A276 V277 I281 P282 S283S195-W279 PolarHBondContact OG-NE1 3.43Å; V198-W279 HydrophobicContact CB-CH2 4.41Å; V198-W279 HydrophobicContact CB-CZ2 4.02Å; V198-W279 HydrophobicContact CG1-CH2 3.74Å; V198-W279 HydrophobicContact CG1-CZ2 3.76Å; T199-W279 HydrophobicContact CG2-CH2 3.71Å; T199-W279 HydrophobicContact CG2-CZ2 3.55Å; L202-W279 HydrophobicContact CD1-CH2 3.64Å; L202-W279 HydrophobicContact CD1-CZ3 3.74Å; T240-W279 HydrophobicContact CG2-CD2 3.66Å; T240-W279 HydrophobicContact CG2-CE3 4.22Å; T240-W279 HydrophobicContact CG2-CG 3.78Å; T240-W279 HydrophobicContact CG2-CZ2 4.16Å; V275-W279 PolarHBondContact O-N 3.23Å; A276-W279 PolarHBondContact O-N 2.83Å; V277-W279 VanDerWaalsContact C-N 3.26Å; V277-W279 PolarHBondContact O-N 2.99Å; W279-I281 VanDerWaalsContact C-N 3.31Å; W279-I281 PolarHBondContact O-N 3.5Å; W279-P282 WeakPolarHBondContact O-CD 3.25Å; W279-S283 WeakPolarHBondContact O-CB 3.46Å; W279-S283 PolarHBondContact O-N 2.77Å; W279-S283 PolarHBondContact O-OG 3.24Å; W279-S283 VanDerWaalsContact O-OG 3.07Å
280I95.4Very high93.1Very high111 Ų11138.5 Ų38.557%0.56921%0.21SC*.Hα-helixtrans-59.7-40-174.2-68.4164.7000111.7A276 S284A276-I280 HydrophobicContact CB-CD1 4.41Å; A276-I280 WeakPolarHBondContact O-CB 3.5Å; A276-I280 VanDerWaalsContact O-CG1 3.27Å; A276-I280 WeakPolarHBondContact O-CG1 3.39Å; A276-I280 PolarHBondContact O-N 3.39Å; I280-S284 WeakPolarHBondContact O-CB 3.26Å; I280-S284 PolarHBondContact O-N 3.39Å; I280-S284 PolarHBondContact O-OG 3.19Å
281I89.9Confident93.1Very high21 Ų2138.1 Ų38.111%0.10821%0.211CC..Hα-helixtrans-65.4-56.3-179.2-71.7173.1000112L16 Y243 V277 W279 S283 S284 V285L16-I281 HydrophobicContact CB-CD1 4.44Å; L16-I281 HydrophobicContact CD1-CB 4.34Å; L16-I281 HydrophobicContact CD1-CD1 4.14Å; L16-I281 HydrophobicContact CD1-CG1 3.85Å; L16-I281 HydrophobicContact CD1-CG2 3.78Å; L16-I281 HydrophobicContact CD2-CD1 3.84Å; L16-I281 HydrophobicContact CD2-CG1 4.07Å; L16-I281 HydrophobicContact CG-CD1 4.37Å; Y243-I281 HydrophobicContact CE2-CG2 4.04Å; V277-I281 HydrophobicContact CG1-CD1 3.59Å; V277-I281 HydrophobicContact CG1-CG1 4.34Å; V277-I281 PolarHBondContact O-N 3.26Å; W279-I281 VanDerWaalsContact C-N 3.31Å; W279-I281 PolarHBondContact O-N 3.5Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.92Å; I281-S284 PolarHBondContact O-N 2.95Å; I281-S284 PolarHBondContact O-OG 3.42Å; I281-V285 VanDerWaalsContact O-CG2 3.28Å; I281-V285 WeakPolarHBondContact O-CG2 3.27Å; I281-V285 PolarHBondContact O-N 3.43Å
282P94Very high92.9Very high0 Ų038.6 Ų38.60%022%0.215CC..Hα-helixtrans-56.1-44.8174-31.139.3000113.7T236 L239 Y243 T278 W279 S284 V285 F286T236-P282 HydrophobicContact CG2-CB 4.32Å; L239-P282 HydrophobicContact CB-CB 4.07Å; L239-P282 HydrophobicContact CB-CG 4.19Å; L239-P282 HydrophobicContact CD2-CB 4.09Å; L239-P282 HydrophobicContact CD2-CG 4.01Å; L239-P282 HydrophobicContact CG-CB 4.23Å; L239-P282 HydrophobicContact CG-CG 3.94Å; Y243-P282 HydrophobicContact CD2-CG 4.1Å; Y243-P282 HydrophobicContact CE2-CG 4.45Å; T278-P282 WeakPolarHBondContact O-CD 3.19Å; T278-P282 VanDerWaalsContact O-CG 3.25Å; T278-P282 WeakPolarHBondContact O-CG 3.42Å; W279-P282 WeakPolarHBondContact O-CD 3.25Å; P282-S284 PolarHBondContact O-N 3.09Å; P282-V285 PolarHBondContact O-N 3.41Å; P282-F286 PolarHBondContact O-N 2.88Å
283S95.4Very high92.6Very high39 Ų3935.3 Ų35.327%0.27320%0.197SC..Hα-helixtrans-59.3-48.2177.9-63.90000111.8T236 W279 I281 V285 F287T236-S283 VanDerWaalsContact CG2-OG 3.26Å; T236-S283 WeakPolarHBondContact CG2-OG 3.47Å; W279-S283 WeakPolarHBondContact O-CB 3.46Å; W279-S283 PolarHBondContact O-N 2.77Å; W279-S283 PolarHBondContact O-OG 3.24Å; W279-S283 VanDerWaalsContact O-OG 3.07Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.92Å; S283-V285 VanDerWaalsContact C-N 3.33Å; S283-V285 PolarHBondContact O-N 2.64Å; S283-F287 WeakPolarHBondContact O-CB 3.24Å; S283-F287 VanDerWaalsContact O-CD2 3.32Å; S283-F287 WeakPolarHBondContact O-CD2 3.48Å; S283-F287 PolarHBondContact O-N 3.48Å; S283-F287 VanDerWaalsContact O-N 3.1Å
284S91.7Very high92.1Very high53 Ų5332.8 Ų32.837%0.37119%0.186SC..Hα-helixtrans-62.1-44.1-179.864.40000111.1I280 I281 P282 T288I280-S284 WeakPolarHBondContact O-CB 3.26Å; I280-S284 PolarHBondContact O-N 3.39Å; I280-S284 PolarHBondContact O-OG 3.19Å; I281-S284 PolarHBondContact O-N 2.95Å; I281-S284 PolarHBondContact O-OG 3.42Å; P282-S284 PolarHBondContact O-N 3.09Å; S284-T288 WeakPolarHBondContact O-CB 3.12Å; S284-T288 VanDerWaalsContact O-CG2 3.29Å; S284-T288 WeakPolarHBondContact O-CG2 3.39Å; S284-T288 PolarHBondContact O-N 3.22Å; S284-T288 PolarHBondContact O-OG1 3.36Å
285V90Very high91.7Very high6 Ų640 Ų404%0.03621%0.214CC..Hα-helixtrans-67.6-50-176.6171.40000112.1I19 I281 P282 S283 T288 T289 F322I19-V285 HydrophobicContact CG2-CB 4.35Å; I19-V285 HydrophobicContact CG2-CG1 3.73Å; I19-V285 HydrophobicContact CG2-CG2 3.6Å; I281-V285 VanDerWaalsContact O-CG2 3.28Å; I281-V285 WeakPolarHBondContact O-CG2 3.27Å; I281-V285 PolarHBondContact O-N 3.43Å; P282-V285 PolarHBondContact O-N 3.41Å; S283-V285 VanDerWaalsContact C-N 3.33Å; S283-V285 PolarHBondContact O-N 2.64Å; V285-T288 PolarHBondContact O-OG1 3.42Å; V285-T289 VanDerWaalsContact O-CB 3.29Å; V285-T289 WeakPolarHBondContact O-CB 3.31Å; V285-T289 PolarHBondContact O-N 3.09Å; V285-T289 PolarHBondContact O-OG1 3.49Å; V285-F322 HydrophobicContact CG1-CE2 3.71Å; V285-F322 HydrophobicContact CG1-CZ 3.62Å
286F94.4Very high90.9Very high1 Ų141.9 Ų41.90%0.00422%0.22CC..Hα-helixtrans-78.6-38.4-173.2-80.1-63.8000113.5Y235 L239 P282 T289 I290 F312 F322Y235-F286 HydrophobicContact CD1-CD1 4.03Å; Y235-F286 AromaticContact CD1-CE1 3.39Å; Y235-F286 HydrophobicContact CD1-CE1 3.39Å; Y235-F286 HydrophobicContact CD1-CE2 4.49Å; Y235-F286 AromaticContact CD1-CZ 3.67Å; Y235-F286 HydrophobicContact CD1-CZ 3.67Å; Y235-F286 HydrophobicContact CE1-CE1 4.33Å; Y235-F286 HydrophobicContact CG-CD1 4.04Å; Y235-F286 AromaticContact CG-CE1 3.87Å; Y235-F286 HydrophobicContact CG-CE1 3.87Å; Y235-F286 HydrophobicContact CG-CZ 4.25Å; Y235-F286 WeakPolarHBondContact O-CE2 3.48Å; L239-F286 HydrophobicContact CB-CE2 3.84Å; L239-F286 HydrophobicContact CD2-CD2 4.31Å; L239-F286 HydrophobicContact CD2-CE2 3.59Å; L239-F286 HydrophobicContact CD2-CZ 4.47Å; L239-F286 HydrophobicContact CG-CE2 4.31Å; P282-F286 PolarHBondContact O-N 2.88Å; F286-T289 PolarHBondContact O-N 2.99Å; F286-I290 HydrophobicContact CB-CD1 4.33Å; F286-I290 HydrophobicContact CD1-CD1 4Å; F286-I290 VanDerWaalsContact O-CB 3.32Å; F286-I290 WeakPolarHBondContact O-CB 3.11Å; F286-I290 WeakPolarHBondContact O-CG1 3.42Å; F286-I290 PolarHBondContact O-N 2.78Å; F286-F312 HydrophobicContact CE1-CE1 4.44Å; F286-F312 HydrophobicContact CE1-CZ 4.17Å; F286-F322 HydrophobicContact CD1-CZ 4.47Å; F286-F322 AromaticContact CE1-CE1 3.55Å; F286-F322 HydrophobicContact CE1-CE1 3.55Å; F286-F322 AromaticContact CE1-CZ 3.78Å; F286-F322 HydrophobicContact CE1-CZ 3.78Å; F286-F322 AromaticContact CZ-CE1 3.75Å; F286-F322 HydrophobicContact CZ-CE1 3.75Å; F286-F322 AromaticContact CZ-CZ 3.94Å; F286-F322 HydrophobicContact CZ-CZ 3.94Å
287F94.4Very high89.8Confident74 Ų7441 Ų4133%0.32521%0.209SC..Hα-helixtrans-66.6-36.8175.6-78.2-103.7000111.6L229 S232 T236 S283 M291L229-F287 HydrophobicContact CD2-CE1 4.46Å; S232-F287 WeakPolarHBondContact O-CE2 3.48Å; T236-F287 HydrophobicContact CG2-CE2 4.47Å; T236-F287 WeakPolarHBondContact OG1-CE2 3.26Å; S283-F287 WeakPolarHBondContact O-CB 3.24Å; S283-F287 VanDerWaalsContact O-CD2 3.32Å; S283-F287 WeakPolarHBondContact O-CD2 3.48Å; S283-F287 PolarHBondContact O-N 3.48Å; S283-F287 VanDerWaalsContact O-N 3.1Å; F287-M291 WeakPolarHBondContact O-CB 3.3Å; F287-M291 VanDerWaalsContact O-CG 3.26Å; F287-M291 WeakPolarHBondContact O-CG 3.24Å; F287-M291 PolarHBondContact O-N 3.04Å
288T90.9Very high88.4Confident62 Ų6242.3 Ų42.338%0.3822%0.217SC..Hα-helixtrans-72.4-41.4174.558.50000112.4H23 Y27 S284 V285 G292H23-T288 PolarHBondContact CE1-OG1 3.46Å; H23-T288 PolarHBondContact NE2-OG1 3.3Å; Y27-T288 PolarHBondContact OH-O 3.08Å; S284-T288 WeakPolarHBondContact O-CB 3.12Å; S284-T288 VanDerWaalsContact O-CG2 3.29Å; S284-T288 WeakPolarHBondContact O-CG2 3.39Å; S284-T288 PolarHBondContact O-N 3.22Å; S284-T288 PolarHBondContact O-OG1 3.36Å; V285-T288 PolarHBondContact O-OG1 3.42Å; T288-G292 WeakPolarHBondContact O-CA 3.22Å; T288-G292 PolarHBondContact O-N 2.84Å
289T90.7Very high86.8Confident3 Ų346.2 Ų46.22%0.01824%0.237CC..Hα-helixtrans-68.6-47.1-178-51.20000111.4H23 V285 F286 W293 F312 F318H23-T289 PolarHBondContact CD2-OG1 2.92Å; V285-T289 VanDerWaalsContact O-CB 3.29Å; V285-T289 WeakPolarHBondContact O-CB 3.31Å; V285-T289 PolarHBondContact O-N 3.09Å; V285-T289 PolarHBondContact O-OG1 3.49Å; F286-T289 PolarHBondContact O-N 2.99Å; T289-W293 HydrophobicContact CG2-CE3 4.44Å; T289-W293 WeakPolarHBondContact O-CB 3.18Å; T289-W293 PolarHBondContact O-N 3.44Å; T289-F312 HydrophobicContact CG2-CB 4.11Å; T289-F312 HydrophobicContact CG2-CD1 3.68Å; T289-F312 HydrophobicContact CG2-CE1 4.32Å; T289-F312 HydrophobicContact CG2-CG 3.97Å; T289-F318 HydrophobicContact CG2-CE1 3.89Å; T289-F318 HydrophobicContact CG2-CZ 3.92Å
290I92.6Very high85.2Confident4 Ų446.8 Ų46.82%0.02126%0.262CS..Hα-helixtrans-75.4-53.8-174.5-67.2166.3000111.3D228 L231 Y235 F286 G292 A310 F312D228-I290 HydrophobicContact CB-CG2 4.17Å; L231-I290 HydrophobicContact CB-CD1 4.11Å; L231-I290 HydrophobicContact CB-CG2 4.28Å; Y235-I290 HydrophobicContact CD2-CD1 4.32Å; Y235-I290 HydrophobicContact CG-CD1 4.41Å; F286-I290 HydrophobicContact CB-CD1 4.33Å; F286-I290 HydrophobicContact CD1-CD1 4Å; F286-I290 VanDerWaalsContact O-CB 3.32Å; F286-I290 WeakPolarHBondContact O-CB 3.11Å; F286-I290 WeakPolarHBondContact O-CG1 3.42Å; F286-I290 PolarHBondContact O-N 2.78Å; I290-G292 PolarHBondContact O-N 3.48Å; I290-A310 HydrophobicContact CG1-CB 4.39Å; I290-F312 HydrophobicContact CD1-CE1 4.19Å; I290-F312 HydrophobicContact CG1-CD1 4.03Å; I290-F312 HydrophobicContact CG1-CE1 3.71Å
291M90.9Very high84Confident65 Ų6546.5 Ų46.532%0.3226%0.262SS..Hα-helixtrans-66.5-26.8177.8-55.7-70.9-64.100112L225 D228 L229 F287 Y295L225-M291 HydrophobicContact CD1-CE 3.8Å; D228-M291 HydrophobicContact CB-SD 3.64Å; L229-M291 HydrophobicContact CD2-SD 4.32Å; F287-M291 WeakPolarHBondContact O-CB 3.3Å; F287-M291 VanDerWaalsContact O-CG 3.26Å; F287-M291 WeakPolarHBondContact O-CG 3.24Å; F287-M291 PolarHBondContact O-N 3.04Å; M291-Y295 WeakPolarHBondContact O-CD2 3.43Å; M291-Y295 VanDerWaalsContact O-CE2 3.31Å; M291-Y295 WeakPolarHBondContact O-CE2 3.12Å
292G87.5Confident83.6Confident9 Ų949.2 Ų49.29%0.09328%0.281CS..Hα-helixtrans-85-29.2-17700000114.8T288 I290 P294 Y295 F296T288-G292 WeakPolarHBondContact O-CA 3.22Å; T288-G292 PolarHBondContact O-N 2.84Å; I290-G292 PolarHBondContact O-N 3.48Å; G292-P294 VanDerWaalsContact C-CD 3.42Å; G292-P294 VanDerWaalsContact O-N 3.16Å; G292-Y295 WeakPolarHBondContact O-CA 3.21Å; G292-Y295 WeakPolarHBondContact O-CB 3.32Å; G292-Y295 PolarHBondContact O-N 2.88Å; G292-F296 WeakPolarHBondContact O-CD2 3.35Å; G292-F296 WeakPolarHBondContact O-CE2 3.28Å; G292-F296 PolarHBondContact O-N 3.38Å
293W87.7Confident83.3Confident13 Ų1349.6 Ų49.65%0.04928%0.283CS..Hα-helixtrans-49.6-45.1-171.2-163.9-97000114.8F26 T289 Y295 F296 H297 E311 F312 D315 F318F26-W293 HydrophobicContact CD1-CH2 4.16Å; F26-W293 HydrophobicContact CD1-CZ3 4.12Å; F26-W293 AromaticContact CE1-CH2 3.62Å; F26-W293 HydrophobicContact CE1-CH2 3.62Å; F26-W293 HydrophobicContact CE1-CZ3 4.06Å; T289-W293 HydrophobicContact CG2-CE3 4.44Å; T289-W293 WeakPolarHBondContact O-CB 3.18Å; T289-W293 PolarHBondContact O-N 3.44Å; W293-Y295 PolarHBondContact O-N 3.02Å; W293-Y295 VanDerWaalsContact O-N 3.09Å; W293-F296 PolarHBondContact O-N 3.07Å; W293-F296 VanDerWaalsContact O-N 3.09Å; W293-H297 HydrophobicContact CD2-CB 4Å; W293-H297 AromaticContact CE2-CG 3.54Å; W293-H297 AromaticContact CE2-ND1 3.58Å; W293-H297 HydrophobicContact CG-CB 4.15Å; W293-H297 AromaticContact CH2-CE1 3.82Å; W293-H297 AromaticContact CH2-ND1 3.51Å; W293-H297 HydrophobicContact CZ2-CB 4.02Å; W293-H297 AromaticContact CZ2-CE1 3.42Å; W293-H297 VanDerWaalsContact CZ2-CE1 3.42Å; W293-H297 WeakPolarHBondContact CZ2-CE1 3.45Å; W293-H297 AromaticContact CZ2-CG 3.5Å; W293-H297 VanDerWaalsContact CZ2-CG 3.5Å; W293-H297 AromaticContact CZ2-ND1 3.1Å; W293-H297 WeakPolarHBondContact CZ2-ND1 3.32Å; W293-H297 VanDerWaalsContact NE1-CB 3.34Å; W293-H297 AromaticContact NE1-CG 3.64Å; W293-H297 WeakPolarHBondContact O-CB 3.27Å; W293-H297 PolarHBondContact O-N 3.23Å; W293-E311 HydrophobicContact CB-CB 4.3Å; W293-E311 HydrophobicContact CG-CB 4Å; W293-E311 PolarHBondContact NE1-O 2.76Å; W293-F312 HydrophobicContact CD2-CB 3.64Å; W293-F312 VanDerWaalsContact CE2-CA 3.48Å; W293-F312 HydrophobicContact CE3-CB 3.44Å; W293-F312 VanDerWaalsContact CE3-CB 3.44Å; W293-F312 HydrophobicContact CG-CB 4.31Å; W293-F312 HydrophobicContact CH2-CB 3.92Å; W293-F312 HydrophobicContact CZ2-CB 4.12Å; W293-F312 HydrophobicContact CZ3-CB 3.59Å; W293-D315 HydrophobicContact CH2-CB 4.01Å; W293-D315 HydrophobicContact CZ2-CB 3.79Å; W293-F318 HydrophobicContact CH2-CB 4.09Å; W293-F318 AromaticContact CH2-CD1 3.85Å; W293-F318 HydrophobicContact CH2-CD1 3.85Å; W293-F318 HydrophobicContact CH2-CD2 4.27Å; W293-F318 HydrophobicContact CH2-CE1 4.38Å; W293-F318 AromaticContact CH2-CG 3.8Å; W293-F318 HydrophobicContact CH2-CG 3.8Å; W293-F318 AromaticContact CZ3-CD1 3.76Å; W293-F318 HydrophobicContact CZ3-CD1 3.76Å; W293-F318 HydrophobicContact CZ3-CD2 4.13Å; W293-F318 AromaticContact CZ3-CE1 3.82Å; W293-F318 HydrophobicContact CZ3-CE1 3.82Å; W293-F318 HydrophobicContact CZ3-CE2 4.17Å; W293-F318 AromaticContact CZ3-CG 3.94Å; W293-F318 HydrophobicContact CZ3-CG 3.94Å; W293-F318 HydrophobicContact CZ3-CZ 4.02Å
294P83.9Confident82.9Confident32 Ų3250.1 Ų50.121%0.20829%0.285CS..Hα-helixtrans-59.7-25.2178.7-22.733.6000114.2G292G292-P294 VanDerWaalsContact C-CD 3.42Å; G292-P294 VanDerWaalsContact O-N 3.16Å
295Y83.9Confident82.7Confident160 Ų16052.6 Ų52.663%0.62729%0.294SS*.Hα-helixtrans-87.1-22.8-179-56.5-83.6000112.9R34 M291 G292 W293R34-Y295 PolarHBondContact NH2-O 3.34Å; M291-Y295 WeakPolarHBondContact O-CD2 3.43Å; M291-Y295 VanDerWaalsContact O-CE2 3.31Å; M291-Y295 WeakPolarHBondContact O-CE2 3.12Å; G292-Y295 WeakPolarHBondContact O-CA 3.21Å; G292-Y295 WeakPolarHBondContact O-CB 3.32Å; G292-Y295 PolarHBondContact O-N 2.88Å; W293-Y295 PolarHBondContact O-N 3.02Å; W293-Y295 VanDerWaalsContact O-N 3.09Å
296F78.4Confident82.6Confident64 Ų6456.4 Ų56.428%0.28131%0.314SS..Hα-helixtrans-107.1-19.1-179-51.5-61.4000113.4Y27 K30 R34 G292 W293Y27-F296 HydrophobicContact CD1-CD1 4.18Å; Y27-F296 HydrophobicContact CD1-CD2 4.41Å; Y27-F296 AromaticContact CD1-CE1 3.91Å; Y27-F296 HydrophobicContact CD1-CE1 3.91Å; Y27-F296 HydrophobicContact CD1-CE2 4.18Å; Y27-F296 HydrophobicContact CD1-CG 4.45Å; Y27-F296 AromaticContact CD1-CZ 3.92Å; Y27-F296 HydrophobicContact CD1-CZ 3.92Å; Y27-F296 HydrophobicContact CD2-CD2 4.39Å; Y27-F296 HydrophobicContact CD2-CG 4.37Å; Y27-F296 HydrophobicContact CE1-CD1 4.23Å; Y27-F296 AromaticContact CE1-CD2 3.76Å; Y27-F296 HydrophobicContact CE1-CD2 3.76Å; Y27-F296 AromaticContact CE1-CE1 3.8Å; Y27-F296 HydrophobicContact CE1-CE1 3.8Å; Y27-F296 AromaticContact CE1-CE2 3.3Å; Y27-F296 HydrophobicContact CE1-CE2 3.3Å; Y27-F296 HydrophobicContact CE1-CG 4.23Å; Y27-F296 AromaticContact CE1-CZ 3.32Å; Y27-F296 HydrophobicContact CE1-CZ 3.32Å; Y27-F296 AromaticContact CE2-CD2 3.75Å; Y27-F296 HydrophobicContact CE2-CD2 3.75Å; Y27-F296 HydrophobicContact CE2-CE2 4.11Å; Y27-F296 HydrophobicContact CE2-CG 4.17Å; Y27-F296 HydrophobicContact CG-CD1 4.44Å; Y27-F296 AromaticContact CZ-CD2 3.37Å; Y27-F296 AromaticContact CZ-CE2 3.24Å; Y27-F296 AromaticContact CZ-CZ 3.83Å; Y27-F296 WeakPolarHBondContact OH-CD2 3.48Å; Y27-F296 WeakPolarHBondContact OH-CE2 3.49Å; K30-F296 WeakPolarHBondContact CD-O 3.43Å; K30-F296 WeakPolarHBondContact CG-O 3.27Å; R34-F296 VanDerWaalsContact CZ-C 3.4Å; R34-F296 PolarHBondContact NE-O 2.95Å; R34-F296 VanDerWaalsContact NE-O 3.13Å; R34-F296 PolarHBondContact NH1-O 3.03Å; R34-F296 VanDerWaalsContact NH1-O 3.15Å; G292-F296 WeakPolarHBondContact O-CD2 3.35Å; G292-F296 WeakPolarHBondContact O-CE2 3.28Å; G292-F296 PolarHBondContact O-N 3.38Å; W293-F296 PolarHBondContact O-N 3.07Å; W293-F296 VanDerWaalsContact O-N 3.09Å
297H70.7Confident82.4Confident25 Ų2559.7 Ų59.712%0.11633%0.33CS..  trans-124.871.5-179.7-128.5102.4000110F26 K30 W293 D299 D315F26-H297 AromaticContact CE1-CE1 3.8Å; F26-H297 AromaticContact CE1-ND1 3.91Å; K30-H297 PolarHBondContact NZ-CD2 3.05Å; K30-H297 PolarHBondContact NZ-CE1 3.47Å; K30-H297 PolarHBondContact NZ-NE2 3.08Å; W293-H297 HydrophobicContact CD2-CB 4Å; W293-H297 AromaticContact CE2-CG 3.54Å; W293-H297 AromaticContact CE2-ND1 3.58Å; W293-H297 HydrophobicContact CG-CB 4.15Å; W293-H297 AromaticContact CH2-CE1 3.82Å; W293-H297 AromaticContact CH2-ND1 3.51Å; W293-H297 HydrophobicContact CZ2-CB 4.02Å; W293-H297 AromaticContact CZ2-CE1 3.42Å; W293-H297 VanDerWaalsContact CZ2-CE1 3.42Å; W293-H297 WeakPolarHBondContact CZ2-CE1 3.45Å; W293-H297 AromaticContact CZ2-CG 3.5Å; W293-H297 VanDerWaalsContact CZ2-CG 3.5Å; W293-H297 AromaticContact CZ2-ND1 3.1Å; W293-H297 WeakPolarHBondContact CZ2-ND1 3.32Å; W293-H297 VanDerWaalsContact NE1-CB 3.34Å; W293-H297 AromaticContact NE1-CG 3.64Å; W293-H297 WeakPolarHBondContact O-CB 3.27Å; W293-H297 PolarHBondContact O-N 3.23Å; H297-D299 VanDerWaalsContact CD2-CG 3.42Å; H297-D299 IonicContact CD2-OD1 3.8Å; H297-D299 PolarHBondContact CD2-OD1 3.48Å; H297-D299 IonicContact CD2-OD2 3.91Å; H297-D299 IonicContact NE2-OD1 2.64Å; H297-D299 IonicContact NE2-OD2 3.34Å; H297-D299 PolarHBondContact O-N 2.92Å; H297-D315 IonicContact CE1-OD2 3.38Å; H297-D315 PolarHBondContact CE1-OD2 2.68Å; H297-D315 IonicContact NE2-OD2 3.4Å
298T63Low82.3Confident77 Ų7756.6 Ų56.647%0.47232%0.317SS..  trans-82.257.7172.356.30000111.3R34R34-T298 PolarHBondContact NH1-OG1 3.45Å; R34-T298 PolarHBondContact NH2-OG1 3.15Å; R34-T298 VanDerWaalsContact NH2-OG1 3.08Å
299D61.5Low82.3Confident89 Ų8957 Ų5748%0.47631%0.312SS..  trans-80.4143.6165.4-67.235.4000106.2K30 H297 N301K30-D299 WeakPolarHBondContact CE-OD1 3.28Å; K30-D299 IonicContact NZ-OD1 3.43Å; K30-D299 PolarHBondContact NZ-OD1 3.19Å; K30-D299 IonicContact NZ-OD2 3.94Å; H297-D299 VanDerWaalsContact CD2-CG 3.42Å; H297-D299 IonicContact CD2-OD1 3.8Å; H297-D299 PolarHBondContact CD2-OD1 3.48Å; H297-D299 IonicContact CD2-OD2 3.91Å; H297-D299 IonicContact NE2-OD1 2.64Å; H297-D299 IonicContact NE2-OD2 3.34Å; H297-D299 PolarHBondContact O-N 2.92Å; D299-N301 PolarHBondContact O-N 3.29Å
300G61.4Low82.4Confident74 Ų7457 Ų5776%0.76331%0.312SS*.SBendtrans-63.6-4-159.600000117.3P302G300-P302 VanDerWaalsContact O-CD 3.24Å; G300-P302 WeakPolarHBondContact O-CD 3.49Å
301N71Confident82.2Confident106 Ų10657.5 Ų57.557%0.56731%0.314SS*.  trans-116.478.7-172.7-62.7-5.1000110.1D299D299-N301 PolarHBondContact O-N 3.29Å
302P82.3Confident82Confident78 Ų7854.5 Ų54.551%0.50630%0.3SS..PPolyproline II helixtrans-64.5157.2171.629.9-35.7000111.1G300G300-P302 VanDerWaalsContact O-CD 3.24Å; G300-P302 WeakPolarHBondContact O-CD 3.49Å
303R87.9Confident82Confident7 Ų755.3 Ų55.33%0.02631%0.306CS..PPolyproline II helixtrans-57.6131.8174.4-174.217776.3-128-14.4111R224 C227 D228 E307 Y309 E311R224-R303 VanDerWaalsContact CG-NH2 3.28Å; C227-R303 PolarHBondContact SG-NH2 2.92Å; D228-R303 IonicContact OD1-CZ 2.84Å; D228-R303 VanDerWaalsContact OD1-CZ 3.25Å; D228-R303 IonicContact OD1-NH1 3.74Å; D228-R303 PolarHBondContact OD1-NH1 3.06Å; D228-R303 IonicContact OD1-NH2 3.35Å; D228-R303 PolarHBondContact OD1-NH2 3.33Å; D228-R303 IonicContact OD2-NH2 3.41Å; R303-E307 WeakPolarHBondContact CD-O 3.13Å; R303-E307 HydrophobicContact CG-CB 4.28Å; R303-E307 PolarHBondContact NE-O 2.95Å; R303-E307 VanDerWaalsContact NE-O 3.15Å; R303-Y309 HydrophobicContact CB-CE2 4.35Å; R303-Y309 VanDerWaalsContact CD-O 3.29Å; R303-Y309 WeakPolarHBondContact CD-O 3.07Å; R303-Y309 HydrophobicContact CG-CD1 4.2Å; R303-Y309 HydrophobicContact CG-CE1 3.68Å; R303-Y309 HydrophobicContact CG-CE2 4.08Å; R303-Y309 PolarHBondContact NH1-O 2.81Å; R303-E311 HydrophobicContact CB-CG 3.86Å; R303-E311 WeakPolarHBondContact CB-OE1 3.09Å; R303-E311 IonicContact CZ-OE1 2.79Å; R303-E311 IonicContact NH1-OE1 2.68Å
304P86.6Confident81.7Confident51 Ų5157.2 Ų57.233%0.33132%0.319SS..PPolyproline II helixtrans-57.8144.9170.9-2535.1000112.3D306 E307P304-D306 WeakPolarHBondContact CB-OD1 3.14Å; P304-D306 PolarHBondContact O-N 3.15Å; P304-E307 HydrophobicContact CB-CB 4.27Å; P304-E307 HydrophobicContact CB-CG 4.21Å; P304-E307 WeakPolarHBondContact CD-OE2 3.28Å; P304-E307 HydrophobicContact CG-CB 4.49Å; P304-E307 HydrophobicContact CG-CG 4.31Å; P304-E307 PolarHBondContact O-N 3.29Å; P304-E307 VanDerWaalsContact O-N 3.08Å; P304-E307 VanDerWaalsContact O-O 3.12Å
305D86.4Confident81.8Confident105 Ų10556.8 Ų56.856%0.56132%0.315SS*.THydrogen-bonded Turntrans-67.3-17.6-178.3-78.8-45.2000113.8R224R224-D305 WeakPolarHBondContact CB-OD1 3.44Å
306D87.8Confident81.8Confident85 Ų8552.2 Ų52.246%0.45530%0.304SS..THydrogen-bonded Turntrans-93.8-3.7174.866.3-42.2000114R219 W220 P304R219-D306 CarbonylContact C-O 3.53Å; R219-D306 WeakPolarHBondContact CA-O 3.41Å; R219-D306 HydrophobicContact CB-CB 4.36Å; W220-D306 PolarHBondContact N-O 2.97Å; P304-D306 WeakPolarHBondContact CB-OD1 3.14Å; P304-D306 PolarHBondContact O-N 3.15Å
307E90.1Very high82.2Confident71 Ų7155.1 Ų55.133%0.33232%0.321SS..  trans-108144173.3-68.8-178171.100111R303 P304 Y309R303-E307 WeakPolarHBondContact CD-O 3.13Å; R303-E307 HydrophobicContact CG-CB 4.28Å; R303-E307 PolarHBondContact NE-O 2.95Å; R303-E307 VanDerWaalsContact NE-O 3.15Å; P304-E307 HydrophobicContact CB-CB 4.27Å; P304-E307 HydrophobicContact CB-CG 4.21Å; P304-E307 WeakPolarHBondContact CD-OE2 3.28Å; P304-E307 HydrophobicContact CG-CB 4.49Å; P304-E307 HydrophobicContact CG-CG 4.31Å; P304-E307 PolarHBondContact O-N 3.29Å; P304-E307 VanDerWaalsContact O-N 3.08Å; P304-E307 VanDerWaalsContact O-O 3.12Å; E307-Y309 HydrophobicContact CB-CD1 4.3Å; E307-Y309 HydrophobicContact CB-CE1 4.04Å; E307-Y309 WeakPolarHBondContact OE2-CE1 3.06Å
308C93.4Very high83.1Confident8 Ų854.6 Ų54.65%0.05432%0.319CS..  trans-133.1101.8176.6-173.40000112.4Y214 W220 C227 W230Y214-C308 HydrophobicContact CD2-CB 4.44Å; Y214-C308 HydrophobicContact CE2-CB 4.28Å; W220-C308 HydrophobicContact CB-CB 3.83Å; W220-C308 HydrophobicContact CD2-CB 3.87Å; W220-C308 HydrophobicContact CE3-CB 4.05Å; W220-C308 HydrophobicContact CG-CB 3.78Å; C227-C308 VanDerWaalsContact CA-SG 3.57Å; C227-C308 HydrophobicContact CB-CB 3.92Å; C227-C308 WeakPolarHBondContact CB-SG 3.34Å; C227-C308 WeakPolarHBondContact SG-CA 3.37Å; C227-C308 WeakPolarHBondContact SG-CB 3.4Å; C227-C308 CovalentContact SG-SG 2.03Å; C227-C308 PolarHBondContact SG-SG 3.05Å; W230-C308 HydrophobicContact CZ3-CB 4.12Å; W230-C308 WeakPolarHBondContact CZ3-SG 3.39Å
309Y91.3Very high84.3Confident72 Ų7251.1 Ų51.128%0.28230%0.298SS..SBendtrans-144.7160171.757.2-97.9000109.2L231 R303 E307 E311 T314L231-Y309 WeakPolarHBondContact CD1-O 3.35Å; R303-Y309 HydrophobicContact CB-CE2 4.35Å; R303-Y309 VanDerWaalsContact CD-O 3.29Å; R303-Y309 WeakPolarHBondContact CD-O 3.07Å; R303-Y309 HydrophobicContact CG-CD1 4.2Å; R303-Y309 HydrophobicContact CG-CE1 3.68Å; R303-Y309 HydrophobicContact CG-CE2 4.08Å; R303-Y309 PolarHBondContact NH1-O 2.81Å; E307-Y309 HydrophobicContact CB-CD1 4.3Å; E307-Y309 HydrophobicContact CB-CE1 4.04Å; E307-Y309 WeakPolarHBondContact OE2-CE1 3.06Å; Y309-E311 PolarHBondContact O-N 3.17Å; Y309-T314 HydrophobicContact CD2-CG2 4.37Å; Y309-T314 HydrophobicContact CE2-CG2 3.64Å
310A91.4Very high85.6Confident2 Ų248.5 Ų48.52%0.01729%0.285CS..  trans-74.2118.5177.200000109.6L231 Y235 I290 F312 A313L231-A310 HydrophobicContact CD1-CB 4.39Å; Y235-A310 HydrophobicContact CE2-CB 4.46Å; I290-A310 HydrophobicContact CG1-CB 4.39Å; A310-F312 HydrophobicContact CB-CD1 3.85Å; A310-F312 HydrophobicContact CB-CE1 3.52Å; A310-F312 HydrophobicContact CB-CZ 4.02Å; A310-F312 PolarHBondContact O-N 2.9Å; A310-F312 VanDerWaalsContact O-N 3.13Å; A310-A313 VanDerWaalsContact O-CB 3.24Å; A310-A313 WeakPolarHBondContact O-CB 3.5Å; A310-A313 PolarHBondContact O-N 3.01Å
311E88.9Confident86.9Confident14 Ų1447.8 Ų47.87%0.06527%0.265CS..G310 helixtrans-61.1-28.9-170.2-68-177.5-160.600113.4R224 W293 R303 Y309 A313 T314R224-E311 IonicContact CZ-OE1 2.76Å; R224-E311 IonicContact NE-OE1 3.53Å; R224-E311 PolarHBondContact NE-OE1 2.76Å; R224-E311 IonicContact NH2-OE1 2.78Å; R224-E311 PolarHBondContact NH2-OE1 2.91Å; R224-E311 IonicContact NH2-OE2 3.25Å; R224-E311 PolarHBondContact NH2-OE2 3.14Å; W293-E311 HydrophobicContact CB-CB 4.3Å; W293-E311 HydrophobicContact CG-CB 4Å; W293-E311 PolarHBondContact NE1-O 2.76Å; R303-E311 HydrophobicContact CB-CG 3.86Å; R303-E311 WeakPolarHBondContact CB-OE1 3.09Å; R303-E311 IonicContact CZ-OE1 2.79Å; R303-E311 IonicContact NH1-OE1 2.68Å; Y309-E311 PolarHBondContact O-N 3.17Å; E311-A313 PolarHBondContact O-N 2.79Å; E311-A313 VanDerWaalsContact O-N 3.15Å; E311-T314 WeakPolarHBondContact O-CB 3.19Å; E311-T314 WeakPolarHBondContact O-CG2 3.46Å; E311-T314 PolarHBondContact O-N 2.88Å; E311-T314 VanDerWaalsContact O-N 3.07Å; E311-T314 PolarHBondContact O-OG1 3.29Å
312F86.7Confident87.9Confident3 Ų343 Ų431%0.01324%0.24CC..G310 helixtrans-62.3-18.6174.276.5-104.8000114.1Y235 F286 T289 I290 W293 A310 T314 D315 F318 F322Y235-F312 HydrophobicContact CE1-CZ 4.15Å; F286-F312 HydrophobicContact CE1-CE1 4.44Å; F286-F312 HydrophobicContact CE1-CZ 4.17Å; T289-F312 HydrophobicContact CG2-CB 4.11Å; T289-F312 HydrophobicContact CG2-CD1 3.68Å; T289-F312 HydrophobicContact CG2-CE1 4.32Å; T289-F312 HydrophobicContact CG2-CG 3.97Å; I290-F312 HydrophobicContact CD1-CE1 4.19Å; I290-F312 HydrophobicContact CG1-CD1 4.03Å; I290-F312 HydrophobicContact CG1-CE1 3.71Å; W293-F312 HydrophobicContact CD2-CB 3.64Å; W293-F312 VanDerWaalsContact CE2-CA 3.48Å; W293-F312 HydrophobicContact CE3-CB 3.44Å; W293-F312 VanDerWaalsContact CE3-CB 3.44Å; W293-F312 HydrophobicContact CG-CB 4.31Å; W293-F312 HydrophobicContact CH2-CB 3.92Å; W293-F312 HydrophobicContact CZ2-CB 4.12Å; W293-F312 HydrophobicContact CZ3-CB 3.59Å; A310-F312 HydrophobicContact CB-CD1 3.85Å; A310-F312 HydrophobicContact CB-CE1 3.52Å; A310-F312 HydrophobicContact CB-CZ 4.02Å; A310-F312 PolarHBondContact O-N 2.9Å; A310-F312 VanDerWaalsContact O-N 3.13Å; F312-T314 PolarHBondContact O-N 3.39Å; F312-D315 PolarHBondContact O-N 3.07Å; F312-F318 HydrophobicContact CB-CD1 3.88Å; F312-F318 HydrophobicContact CB-CE1 3.8Å; F312-F318 AromaticContact CD2-CD1 3.94Å; F312-F318 HydrophobicContact CD2-CD1 3.94Å; F312-F318 AromaticContact CD2-CE1 3.84Å; F312-F318 HydrophobicContact CD2-CE1 3.84Å; F312-F318 HydrophobicContact CG-CD1 4.26Å; F312-F318 AromaticContact CG-CE1 3.96Å; F312-F318 HydrophobicContact CG-CE1 3.96Å; F312-F322 HydrophobicContact CE2-CD1 4.14Å; F312-F322 HydrophobicContact CE2-CE1 4.32Å; F312-F322 HydrophobicContact CZ-CE1 4.31Å
313A87.4Confident88.3Confident26 Ų2639.4 Ų39.422%0.21522%0.216CC..G310 helixtrans-74.2-10.6176.400000113A310 E311A310-A313 VanDerWaalsContact O-CB 3.24Å; A310-A313 WeakPolarHBondContact O-CB 3.5Å; A310-A313 PolarHBondContact O-N 3.01Å; E311-A313 PolarHBondContact O-N 2.79Å; E311-A313 VanDerWaalsContact O-N 3.15Å
314T82.7Confident88.4Confident53 Ų5341.7 Ų41.733%0.32523%0.231SC..G310 helixtrans-78.4-24.6173.864.10000113Y309 E311 F312 P316 I886Y309-T314 HydrophobicContact CD2-CG2 4.37Å; Y309-T314 HydrophobicContact CE2-CG2 3.64Å; E311-T314 WeakPolarHBondContact O-CB 3.19Å; E311-T314 WeakPolarHBondContact O-CG2 3.46Å; E311-T314 PolarHBondContact O-N 2.88Å; E311-T314 VanDerWaalsContact O-N 3.07Å; E311-T314 PolarHBondContact O-OG1 3.29Å; F312-T314 PolarHBondContact O-N 3.39Å; T314-P316 WeakPolarHBondContact O-CD 3.29Å; T314-I886 VanDerWaalsContact CB-CD1 3.48Å; T314-I886 HydrophobicContact CG2-CD1 3.71Å
315D84.8Confident88.6Confident23 Ų2340.3 Ų40.312%0.12322%0.222CC..SBendtrans-82.1111.5170.5-178.3-36.3000109.1F26 W293 H297 F312 I317 F318 N319F26-D315 VanDerWaalsContact CZ-OD2 3.29Å; F26-D315 WeakPolarHBondContact CZ-OD2 3.48Å; W293-D315 HydrophobicContact CH2-CB 4.01Å; W293-D315 HydrophobicContact CZ2-CB 3.79Å; H297-D315 IonicContact CE1-OD2 3.38Å; H297-D315 PolarHBondContact CE1-OD2 2.68Å; H297-D315 IonicContact NE2-OD2 3.4Å; F312-D315 PolarHBondContact O-N 3.07Å; D315-I317 VanDerWaalsContact C-N 3.29Å; D315-I317 PolarHBondContact O-N 3.4Å; D315-I317 PolarHBondContact OD1-N 2.87Å; D315-F318 HydrophobicContact CB-CB 3.9Å; D315-F318 PolarHBondContact OD1-N 3.5Å; D315-N319 WeakPolarHBondContact O-CB 3.28Å; D315-N319 PolarHBondContact O-N 2.73Å
316P85.1Confident88.8Confident63 Ų6336 Ų3641%0.40920%0.198SC..Hα-helixtrans-70.1-28.3-172.231.4-37.5000112.2T314 T320 G881T314-P316 WeakPolarHBondContact O-CD 3.29Å; P316-T320 WeakPolarHBondContact O-CB 3.43Å; P316-T320 PolarHBondContact O-N 2.81Å; P316-T320 PolarHBondContact O-OG1 2.98Å; P316-G881 WeakPolarHBondContact CB-O 3.29Å
317I87Confident89.1Confident125 Ų12531.9 Ų31.964%0.64118%0.176SC*.Hα-helixtrans-80.6-51.2-177.8-60.9174.3000109D315 T320 V321D315-I317 VanDerWaalsContact C-N 3.29Å; D315-I317 PolarHBondContact O-N 3.4Å; D315-I317 PolarHBondContact OD1-N 2.87Å; I317-T320 PolarHBondContact O-N 3.22Å; I317-V321 HydrophobicContact CG2-CG2 4.46Å; I317-V321 WeakPolarHBondContact O-CB 3.25Å; I317-V321 WeakPolarHBondContact O-CG2 3.34Å; I317-V321 PolarHBondContact O-N 3.11Å
318F87.8Confident89.3Confident15 Ų1531.6 Ų31.67%0.06617%0.172CC..Hα-helixtrans-58.3-52178-176.2-90.7000110.7F26 T289 W293 F312 D315 T320 V321 F322F26-F318 HydrophobicContact CB-CE2 4.48Å; F26-F318 AromaticContact CD1-CD2 3.77Å; F26-F318 HydrophobicContact CD1-CD2 3.77Å; F26-F318 HydrophobicContact CD1-CE2 4.12Å; F26-F318 AromaticContact CD2-CD2 3.86Å; F26-F318 HydrophobicContact CD2-CD2 3.86Å; F26-F318 HydrophobicContact CD2-CE2 4.39Å; F26-F318 HydrophobicContact CE1-CB 4.2Å; F26-F318 AromaticContact CE1-CD2 3.74Å; F26-F318 HydrophobicContact CE1-CD2 3.74Å; F26-F318 HydrophobicContact CE1-CG 4.19Å; F26-F318 HydrophobicContact CE2-CB 4.36Å; F26-F318 AromaticContact CE2-CD2 3.84Å; F26-F318 HydrophobicContact CE2-CD2 3.84Å; F26-F318 AromaticContact CG-CD2 3.84Å; F26-F318 HydrophobicContact CG-CD2 3.84Å; F26-F318 HydrophobicContact CG-CE2 4.07Å; F26-F318 HydrophobicContact CZ-CB 3.84Å; F26-F318 AromaticContact CZ-CD2 3.78Å; F26-F318 HydrophobicContact CZ-CD2 3.78Å; F26-F318 HydrophobicContact CZ-CG 4.2Å; T289-F318 HydrophobicContact CG2-CE1 3.89Å; T289-F318 HydrophobicContact CG2-CZ 3.92Å; W293-F318 HydrophobicContact CH2-CB 4.09Å; W293-F318 AromaticContact CH2-CD1 3.85Å; W293-F318 HydrophobicContact CH2-CD1 3.85Å; W293-F318 HydrophobicContact CH2-CD2 4.27Å; W293-F318 HydrophobicContact CH2-CE1 4.38Å; W293-F318 AromaticContact CH2-CG 3.8Å; W293-F318 HydrophobicContact CH2-CG 3.8Å; W293-F318 AromaticContact CZ3-CD1 3.76Å; W293-F318 HydrophobicContact CZ3-CD1 3.76Å; W293-F318 HydrophobicContact CZ3-CD2 4.13Å; W293-F318 AromaticContact CZ3-CE1 3.82Å; W293-F318 HydrophobicContact CZ3-CE1 3.82Å; W293-F318 HydrophobicContact CZ3-CE2 4.17Å; W293-F318 AromaticContact CZ3-CG 3.94Å; W293-F318 HydrophobicContact CZ3-CG 3.94Å; W293-F318 HydrophobicContact CZ3-CZ 4.02Å; F312-F318 HydrophobicContact CB-CD1 3.88Å; F312-F318 HydrophobicContact CB-CE1 3.8Å; F312-F318 AromaticContact CD2-CD1 3.94Å; F312-F318 HydrophobicContact CD2-CD1 3.94Å; F312-F318 AromaticContact CD2-CE1 3.84Å; F312-F318 HydrophobicContact CD2-CE1 3.84Å; F312-F318 HydrophobicContact CG-CD1 4.26Å; F312-F318 AromaticContact CG-CE1 3.96Å; F312-F318 HydrophobicContact CG-CE1 3.96Å; D315-F318 HydrophobicContact CB-CB 3.9Å; D315-F318 PolarHBondContact OD1-N 3.5Å; F318-T320 PolarHBondContact O-N 3Å; F318-V321 PolarHBondContact O-N 3.16Å; F318-F322 HydrophobicContact CE1-CB 4.35Å; F318-F322 HydrophobicContact CE1-CD2 4.44Å; F318-F322 HydrophobicContact CE1-CG 4.29Å; F318-F322 HydrophobicContact CZ-CD2 4.31Å; F318-F322 WeakPolarHBondContact O-CB 3.48Å; F318-F322 PolarHBondContact O-N 3.12Å
319N88.7Confident89.2Confident4 Ų433.8 Ų33.82%0.02119%0.185CC..Hα-helixtrans-57.6-45.5179.6-174.822.4000112.3D315 T323D315-N319 WeakPolarHBondContact O-CB 3.28Å; D315-N319 PolarHBondContact O-N 2.73Å; N319-T323 WeakPolarHBondContact O-CB 3.24Å; N319-T323 PolarHBondContact O-N 3.12Å; N319-T323 PolarHBondContact O-OG1 2.98Å
320T89.6Confident89.2Confident33 Ų3330.3 Ų30.320%0.20217%0.171CC..Hα-helixtrans-63.9-50.8179-63.80000111.9P316 I317 F318 F322 T323 V324 M878P316-T320 WeakPolarHBondContact O-CB 3.43Å; P316-T320 PolarHBondContact O-N 2.81Å; P316-T320 PolarHBondContact O-OG1 2.98Å; I317-T320 PolarHBondContact O-N 3.22Å; F318-T320 PolarHBondContact O-N 3Å; T320-F322 PolarHBondContact O-N 3.31Å; T320-T323 PolarHBondContact O-N 3.25Å; T320-V324 WeakPolarHBondContact O-CG2 3.48Å; T320-V324 PolarHBondContact O-N 3.43Å; T320-M878 HydrophobicContact CG2-CE 4.09Å
321V89.4Confident89.4Confident59 Ų5930.7 Ų30.736%0.35817%0.173SC..Hα-helixtrans-63.9-43.4-178.8173.30000110.9L22 I317 F318 V324 C325L22-V321 HydrophobicContact CD1-CG1 3.82Å; L22-V321 HydrophobicContact CD2-CG1 3.76Å; L22-V321 HydrophobicContact CG-CG1 4.47Å; I317-V321 HydrophobicContact CG2-CG2 4.46Å; I317-V321 WeakPolarHBondContact O-CB 3.25Å; I317-V321 WeakPolarHBondContact O-CG2 3.34Å; I317-V321 PolarHBondContact O-N 3.11Å; F318-V321 PolarHBondContact O-N 3.16Å; V321-V324 PolarHBondContact O-N 3.43Å; V321-C325 PolarHBondContact O-N 2.99Å; V321-C325 PolarHBondContact O-SG 2.72Å
322F90Very high89.7Confident7 Ų733.4 Ų33.43%0.03119%0.193CC..Hα-helixtrans-63.4-47.5179.1-174.5-103000111.6I19 V285 F286 F312 F318 T320 V324 C325 Y326I19-F322 HydrophobicContact CG2-CE2 4.11Å; V285-F322 HydrophobicContact CG1-CE2 3.71Å; V285-F322 HydrophobicContact CG1-CZ 3.62Å; F286-F322 HydrophobicContact CD1-CZ 4.47Å; F286-F322 AromaticContact CE1-CE1 3.55Å; F286-F322 HydrophobicContact CE1-CE1 3.55Å; F286-F322 AromaticContact CE1-CZ 3.78Å; F286-F322 HydrophobicContact CE1-CZ 3.78Å; F286-F322 AromaticContact CZ-CE1 3.75Å; F286-F322 HydrophobicContact CZ-CE1 3.75Å; F286-F322 AromaticContact CZ-CZ 3.94Å; F286-F322 HydrophobicContact CZ-CZ 3.94Å; F312-F322 HydrophobicContact CE2-CD1 4.14Å; F312-F322 HydrophobicContact CE2-CE1 4.32Å; F312-F322 HydrophobicContact CZ-CE1 4.31Å; F318-F322 HydrophobicContact CE1-CB 4.35Å; F318-F322 HydrophobicContact CE1-CD2 4.44Å; F318-F322 HydrophobicContact CE1-CG 4.29Å; F318-F322 HydrophobicContact CZ-CD2 4.31Å; F318-F322 WeakPolarHBondContact O-CB 3.48Å; F318-F322 PolarHBondContact O-N 3.12Å; T320-F322 PolarHBondContact O-N 3.31Å; F322-V324 PolarHBondContact O-N 2.96Å; F322-C325 PolarHBondContact O-N 3.09Å; F322-C325 VanDerWaalsContact O-N 3.12Å; F322-Y326 AromaticContact CD1-CD1 3.59Å; F322-Y326 HydrophobicContact CD1-CD1 3.59Å; F322-Y326 AromaticContact CD1-CE1 3.61Å; F322-Y326 HydrophobicContact CD1-CE1 3.61Å; F322-Y326 AromaticContact CE1-CD1 3.56Å; F322-Y326 HydrophobicContact CE1-CD1 3.56Å; F322-Y326 AromaticContact CE1-CE1 3.68Å; F322-Y326 HydrophobicContact CE1-CE1 3.68Å; F322-Y326 HydrophobicContact CG-CD1 4.26Å; F322-Y326 HydrophobicContact CZ-CD1 4.24Å; F322-Y326 WeakPolarHBondContact O-CD1 3.06Å; F322-Y326 PolarHBondContact O-N 2.86Å
323T91.2Very high90Very high1 Ų134.9 Ų34.91%0.00620%0.202CC..Hα-helixtrans-60.7-39.7174.8-68.70000112.7N319 T320 C325 F327 W328 I877 M878N319-T323 WeakPolarHBondContact O-CB 3.24Å; N319-T323 PolarHBondContact O-N 3.12Å; N319-T323 PolarHBondContact O-OG1 2.98Å; T320-T323 PolarHBondContact O-N 3.25Å; T323-C325 VanDerWaalsContact C-N 3.35Å; T323-F327 WeakPolarHBondContact O-CB 3.29Å; T323-F327 PolarHBondContact O-N 3.43Å; T323-W328 PolarHBondContact O-N 2.97Å; T323-I877 HydrophobicContact CG2-CG2 4.25Å; T323-M878 HydrophobicContact CG2-CG 3.96Å; T323-M878 HydrophobicContact CG2-SD 4.28Å
324V91.1Very high90.2Very high56 Ų5633.6 Ų33.634%0.33919%0.192SC..Iπ-helixtrans-62-43.2173.4168.40000111.2T320 V321 F322 W328 V329 M878T320-V324 WeakPolarHBondContact O-CG2 3.48Å; T320-V324 PolarHBondContact O-N 3.43Å; V321-V324 PolarHBondContact O-N 3.43Å; F322-V324 PolarHBondContact O-N 2.96Å; V324-W328 PolarHBondContact O-N 2.95Å; V324-V329 WeakPolarHBondContact O-CG2 3.28Å; V324-V329 PolarHBondContact O-N 3.33Å; V324-M878 HydrophobicContact CG2-CE 4.21Å; V324-M878 HydrophobicContact CG2-SD 4.44Å
325C89.5Confident90.7Very high22 Ų2234.8 Ų34.815%0.14920%0.195CC..Iπ-helixtrans-68.2-48.1-178.5-69.70000113.8V321 F322 T323V321-C325 PolarHBondContact O-N 2.99Å; V321-C325 PolarHBondContact O-SG 2.72Å; F322-C325 PolarHBondContact O-N 3.09Å; F322-C325 VanDerWaalsContact O-N 3.12Å; T323-C325 VanDerWaalsContact C-N 3.35Å
326Y90.2Very high91.1Very high13 Ų1338.7 Ų38.75%0.05122%0.22CC..Iπ-helixtrans-82.6-40.3-177.282.2-107.3000112.6L239 Q242 F322 T330 H874L239-Y326 HydrophobicContact CD1-CD2 3.73Å; L239-Y326 HydrophobicContact CD1-CG 4.28Å; Q242-Y326 PolarHBondContact NE2-O 3.4Å; F322-Y326 AromaticContact CD1-CD1 3.59Å; F322-Y326 HydrophobicContact CD1-CD1 3.59Å; F322-Y326 AromaticContact CD1-CE1 3.61Å; F322-Y326 HydrophobicContact CD1-CE1 3.61Å; F322-Y326 AromaticContact CE1-CD1 3.56Å; F322-Y326 HydrophobicContact CE1-CD1 3.56Å; F322-Y326 AromaticContact CE1-CE1 3.68Å; F322-Y326 HydrophobicContact CE1-CE1 3.68Å; F322-Y326 HydrophobicContact CG-CD1 4.26Å; F322-Y326 HydrophobicContact CZ-CD1 4.24Å; F322-Y326 WeakPolarHBondContact O-CD1 3.06Å; F322-Y326 PolarHBondContact O-N 2.86Å; Y326-T330 VanDerWaalsContact O-CG2 3.26Å; Y326-T330 WeakPolarHBondContact O-CG2 2.99Å; Y326-T330 PolarHBondContact O-OG1 3.46Å; Y326-H874 AromaticContact CE2-NE2 3.35Å; Y326-H874 WeakPolarHBondContact CE2-NE2 3.21Å; Y326-H874 AromaticContact CZ-NE2 3.53Å; Y326-H874 PolarHBondContact OH-CD2 3.19Å; Y326-H874 VanDerWaalsContact OH-CD2 3.31Å; Y326-H874 PolarHBondContact OH-NE2 2.82Å
327F94.2Very high91.5Very high0 Ų037 Ų370%021%0.208CC..Iπ-helixtrans-93.4-65.1-176-176.8-101.1000113.3T323 V329 T330 L331 F866 W870 H874T323-F327 WeakPolarHBondContact O-CB 3.29Å; T323-F327 PolarHBondContact O-N 3.43Å; F327-V329 PolarHBondContact O-N 3.37Å; F327-T330 PolarHBondContact O-N 3.25Å; F327-T330 VanDerWaalsContact O-N 3.16Å; F327-T330 PolarHBondContact O-OG1 2.87Å; F327-T330 VanDerWaalsContact O-OG1 3.09Å; F327-L331 HydrophobicContact CE1-CD2 3.73Å; F327-L331 HydrophobicContact CZ-CD2 3.84Å; F327-L331 WeakPolarHBondContact O-CB 3.4Å; F327-L331 PolarHBondContact O-N 2.81Å; F327-F866 HydrophobicContact CE2-CE1 4.29Å; F327-F866 HydrophobicContact CE2-CZ 4.12Å; F327-W870 HydrophobicContact CE2-CB 3.63Å; F327-W870 HydrophobicContact CZ-CB 4.08Å; F327-H874 HydrophobicContact CD1-CB 3.42Å; F327-H874 VanDerWaalsContact CD1-CB 3.42Å; F327-H874 AromaticContact CD1-CG 3.52Å; F327-H874 AromaticContact CD1-ND1 3.98Å; F327-H874 HydrophobicContact CD2-CB 4.44Å; F327-H874 AromaticContact CD2-CE1 3.49Å; F327-H874 VanDerWaalsContact CD2-CE1 3.49Å; F327-H874 WeakPolarHBondContact CD2-CE1 3.23Å; F327-H874 AromaticContact CD2-CG 3.71Å; F327-H874 AromaticContact CD2-ND1 3.36Å; F327-H874 WeakPolarHBondContact CD2-ND1 3.28Å; F327-H874 AromaticContact CD2-NE2 3.91Å; F327-H874 HydrophobicContact CE1-CB 3.52Å; F327-H874 AromaticContact CE1-CG 3.86Å; F327-H874 AromaticContact CE2-CE1 3.95Å; F327-H874 AromaticContact CE2-ND1 3.5Å; F327-H874 WeakPolarHBondContact CE2-ND1 3.36Å; F327-H874 HydrophobicContact CG-CB 3.92Å; F327-H874 AromaticContact CG-CD2 3.64Å; F327-H874 AromaticContact CG-CE1 3.9Å; F327-H874 AromaticContact CG-CG 3.44Å; F327-H874 VanDerWaalsContact CG-CG 3.44Å; F327-H874 AromaticContact CG-ND1 3.64Å; F327-H874 AromaticContact CG-NE2 3.91Å; F327-H874 HydrophobicContact CZ-CB 4.12Å; F327-H874 AromaticContact CZ-ND1 3.84Å
328W94.6Very high91.7Very high64 Ų6433.7 Ų33.724%0.24219%0.187CC..Iπ-helixtrans-67.4-40.5-166-68.797.7000113.3T323 V324 T330 L331 C332 T871 H874 I875 M878T323-W328 PolarHBondContact O-N 2.97Å; V324-W328 PolarHBondContact O-N 2.95Å; W328-T330 PolarHBondContact O-N 2.95Å; W328-L331 HydrophobicContact CE3-CD2 4.05Å; W328-L331 HydrophobicContact CZ3-CD2 4.09Å; W328-C332 PolarHBondContact O-N 3Å; W328-C332 PolarHBondContact O-SG 3.2Å; W328-T871 HydrophobicContact CH2-CG2 3.7Å; W328-T871 HydrophobicContact CZ3-CG2 4.14Å; W328-H874 HydrophobicContact CZ2-CB 4.36Å; W328-I875 HydrophobicContact CH2-CD1 4.28Å; W328-I875 HydrophobicContact CH2-CG1 3.68Å; W328-I875 HydrophobicContact CZ2-CG1 3.75Å; W328-M878 HydrophobicContact CZ2-SD 4.42Å; W328-M878 PolarHBondContact NE1-SD 3.33Å
329V92Very high91.9Very high54 Ų5436.1 Ų36.133%0.32720%0.203SC..Hα-helixtrans-60.6-44173.3169.40000111.2F11 I15 V324 F327 C332 V333F11-V329 HydrophobicContact CZ-CG1 4.03Å; I15-V329 HydrophobicContact CD1-CG1 4.19Å; V324-V329 WeakPolarHBondContact O-CG2 3.28Å; V324-V329 PolarHBondContact O-N 3.33Å; F327-V329 PolarHBondContact O-N 3.37Å; V329-C332 PolarHBondContact O-N 3.21Å; V329-V333 WeakPolarHBondContact O-CG2 3.42Å; V329-V333 PolarHBondContact O-N 2.89Å; V329-V333 VanDerWaalsContact O-N 3.08Å
330T91.8Very high92.1Very high0 Ų036.7 Ų36.70%021%0.21CC..Hα-helixtrans-74.2-34.8-177.766.90000112.7I15 Q242 Y243 L246 Y326 F327 W328 V333 M334I15-T330 HydrophobicContact CD1-CG2 3.83Å; Q242-T330 PolarHBondContact NE2-OG1 3.31Å; Y243-T330 HydrophobicContact CE1-CG2 3.96Å; L246-T330 HydrophobicContact CD2-CG2 4.28Å; Y326-T330 VanDerWaalsContact O-CG2 3.26Å; Y326-T330 WeakPolarHBondContact O-CG2 2.99Å; Y326-T330 PolarHBondContact O-OG1 3.46Å; F327-T330 PolarHBondContact O-N 3.25Å; F327-T330 VanDerWaalsContact O-N 3.16Å; F327-T330 PolarHBondContact O-OG1 2.87Å; F327-T330 VanDerWaalsContact O-OG1 3.09Å; W328-T330 PolarHBondContact O-N 2.95Å; T330-V333 PolarHBondContact O-N 2.97Å; T330-M334 WeakPolarHBondContact O-CG 3.48Å; T330-M334 PolarHBondContact O-N 3.36Å
331L94.5Very high92.1Very high9 Ų935.2 Ų35.25%0.04720%0.201CC..Hα-helixtrans-57.4-50.2169.2172.259.1000111.1F327 W328 V333 M334 L335 F866 V867F327-L331 HydrophobicContact CE1-CD2 3.73Å; F327-L331 HydrophobicContact CZ-CD2 3.84Å; F327-L331 WeakPolarHBondContact O-CB 3.4Å; F327-L331 PolarHBondContact O-N 2.81Å; W328-L331 HydrophobicContact CE3-CD2 4.05Å; W328-L331 HydrophobicContact CZ3-CD2 4.09Å; L331-V333 VanDerWaalsContact C-N 3.31Å; L331-V333 PolarHBondContact O-N 3.36Å; L331-M334 PolarHBondContact O-N 3.47Å; L331-L335 HydrophobicContact CD1-CD1 3.93Å; L331-L335 HydrophobicContact CD1-CG 4.1Å; L331-L335 HydrophobicContact CG-CD1 4.1Å; L331-L335 WeakPolarHBondContact O-CG 3.19Å; L331-L335 PolarHBondContact O-N 3.38Å; L331-F866 HydrophobicContact CD1-CE1 4.35Å; L331-V867 HydrophobicContact CD1-CG2 3.81Å
332C94.7Very high92.2Very high71 Ų7139.8 Ų39.848%0.4821%0.213SC..Hα-helixtrans-58.3-42.4177.3-69.70000112W328 V329 L335 V336W328-C332 PolarHBondContact O-N 3Å; W328-C332 PolarHBondContact O-SG 3.2Å; V329-C332 PolarHBondContact O-N 3.21Å; C332-L335 PolarHBondContact O-N 3.46Å; C332-V336 WeakPolarHBondContact O-CG2 3.25Å; C332-V336 PolarHBondContact O-N 3Å
333V93Very high92.3Very high34 Ų3448.1 Ų48.121%0.20624%0.244CC..Hα-helixtrans-63.3-45.9176.7172.20000111.6F11 L246 V329 T330 L331 L335 V336 L337F11-V333 HydrophobicContact CE1-CB 4.37Å; F11-V333 HydrophobicContact CE1-CG1 4.12Å; F11-V333 HydrophobicContact CE1-CG2 3.6Å; F11-V333 HydrophobicContact CE2-CG2 4.32Å; F11-V333 HydrophobicContact CZ-CG2 3.36Å; L246-V333 HydrophobicContact CD1-CG1 3.88Å; V329-V333 WeakPolarHBondContact O-CG2 3.42Å; V329-V333 PolarHBondContact O-N 2.89Å; V329-V333 VanDerWaalsContact O-N 3.08Å; T330-V333 PolarHBondContact O-N 2.97Å; L331-V333 VanDerWaalsContact C-N 3.31Å; L331-V333 PolarHBondContact O-N 3.36Å; V333-L335 VanDerWaalsContact C-N 3.35Å; V333-L335 PolarHBondContact O-N 2.83Å; V333-V336 PolarHBondContact O-N 2.96Å; V333-L337 HydrophobicContact CG1-CD1 3.82Å; V333-L337 HydrophobicContact CG1-CG 4.33Å; V333-L337 WeakPolarHBondContact O-CB 3.2Å; V333-L337 VanDerWaalsContact O-CG 3.26Å; V333-L337 WeakPolarHBondContact O-CG 3.14Å; V333-L337 PolarHBondContact O-N 3.06Å
334M92.1Very high92.2Very high0 Ų048.7 Ų48.70%025%0.247CC..Hα-helixtrans-62.3-41.2178-72.2-168.3-99.200111.9Q242 V245 L246 T330 L331 L337 Y338 M863 F866Q242-M334 HydrophobicContact CG-CE 4.15Å; V245-M334 HydrophobicContact CB-SD 4.42Å; V245-M334 HydrophobicContact CG1-SD 3.93Å; L246-M334 HydrophobicContact CB-CE 4.23Å; L246-M334 HydrophobicContact CB-CG 4.1Å; L246-M334 HydrophobicContact CB-SD 3.92Å; L246-M334 HydrophobicContact CD1-CG 3.61Å; L246-M334 HydrophobicContact CG-CG 4.45Å; T330-M334 WeakPolarHBondContact O-CG 3.48Å; T330-M334 PolarHBondContact O-N 3.36Å; L331-M334 PolarHBondContact O-N 3.47Å; M334-L337 PolarHBondContact O-N 3.36Å; M334-Y338 VanDerWaalsContact O-CB 3.29Å; M334-Y338 WeakPolarHBondContact O-CB 3.37Å; M334-Y338 PolarHBondContact O-N 3.33Å; M334-M863 HydrophobicContact CB-CE 3.69Å; M334-M863 HydrophobicContact CB-SD 4.43Å; M334-M863 HydrophobicContact SD-CE 4.2Å; M334-M863 HydrophobicContact SD-SD 4.38Å; M334-F866 HydrophobicContact CE-CD1 4.44Å; M334-F866 HydrophobicContact CE-CE1 3.74Å; M334-F866 HydrophobicContact CE-CE2 4.45Å; M334-F866 HydrophobicContact CE-CZ 3.76Å
335L93.7Very high92.1Very high77 Ų7747 Ų4740%0.40324%0.239SC..Hα-helixtrans-63-46.7175.5-69.4171.1000112.1L331 C332 V333 L337 Y338 V339 V867L331-L335 HydrophobicContact CD1-CD1 3.93Å; L331-L335 HydrophobicContact CD1-CG 4.1Å; L331-L335 HydrophobicContact CG-CD1 4.1Å; L331-L335 WeakPolarHBondContact O-CG 3.19Å; L331-L335 PolarHBondContact O-N 3.38Å; C332-L335 PolarHBondContact O-N 3.46Å; V333-L335 VanDerWaalsContact C-N 3.35Å; V333-L335 PolarHBondContact O-N 2.83Å; L335-L337 PolarHBondContact O-N 2.8Å; L335-Y338 PolarHBondContact O-N 3.48Å; L335-V339 WeakPolarHBondContact O-CG2 3.09Å; L335-V339 PolarHBondContact O-N 3.16Å; L335-V867 HydrophobicContact CD2-CG2 4.4Å
336V94.1Very high92Very high106 Ų10648.2 Ų48.264%0.64225%0.251SS*.Hα-helixtrans-62.3-42.5176.8169.50000111.5C332 V333 G340C332-V336 WeakPolarHBondContact O-CG2 3.25Å; C332-V336 PolarHBondContact O-N 3Å; V333-V336 PolarHBondContact O-N 2.96Å; V336-G340 PolarHBondContact O-N 3.4Å
337L92.6Very high91.9Very high28 Ų2850.4 Ų50.415%0.14726%0.264CS..Hα-helixtrans-64.8-41.4175.3-71.7172.2000111.9L246 T249 I250 F253 V333 M334 L335 G340 I341L246-L337 HydrophobicContact CD1-CD1 4.38Å; T249-L337 HydrophobicContact CG2-CB 3.73Å; T249-L337 HydrophobicContact CG2-CD1 4.33Å; I250-L337 HydrophobicContact CD1-CD1 4.44Å; I250-L337 HydrophobicContact CG1-CD1 3.54Å; F253-L337 HydrophobicContact CB-CD2 4.33Å; F253-L337 HydrophobicContact CD1-CD2 3.74Å; F253-L337 HydrophobicContact CE1-CD2 4.11Å; F253-L337 HydrophobicContact CG-CD2 3.96Å; V333-L337 HydrophobicContact CG1-CD1 3.82Å; V333-L337 HydrophobicContact CG1-CG 4.33Å; V333-L337 WeakPolarHBondContact O-CB 3.2Å; V333-L337 VanDerWaalsContact O-CG 3.26Å; V333-L337 WeakPolarHBondContact O-CG 3.14Å; V333-L337 PolarHBondContact O-N 3.06Å; M334-L337 PolarHBondContact O-N 3.36Å; L335-L337 PolarHBondContact O-N 2.8Å; L337-G340 CarbonylContact O-C 3.39Å; L337-G340 WeakPolarHBondContact O-CA 2.99Å; L337-G340 PolarHBondContact O-N 3.38Å; L337-G340 VanDerWaalsContact O-N 3.12Å; L337-I341 WeakPolarHBondContact O-CG1 3.37Å; L337-I341 PolarHBondContact O-N 2.89Å
338Y91.4Very high91.5Very high55 Ų5554.4 Ų54.422%0.21629%0.285CS..Hα-helixtrans-64.3-44.5177.2178.2-101.4000112.4M334 L335 G340 I341 Y342 I859 T860 M863M334-Y338 VanDerWaalsContact O-CB 3.29Å; M334-Y338 WeakPolarHBondContact O-CB 3.37Å; M334-Y338 PolarHBondContact O-N 3.33Å; L335-Y338 PolarHBondContact O-N 3.48Å; Y338-G340 PolarHBondContact O-N 3.04Å; Y338-I341 WeakPolarHBondContact O-CB 3.29Å; Y338-I341 PolarHBondContact O-N 3.33Å; Y338-I341 VanDerWaalsContact O-N 3.15Å; Y338-Y342 PolarHBondContact O-N 2.83Å; Y338-I859 HydrophobicContact CD2-CG2 3.91Å; Y338-I859 HydrophobicContact CE2-CG2 4.09Å; Y338-T860 WeakPolarHBondContact OH-CB 3.38Å; Y338-T860 WeakPolarHBondContact OH-CG2 3.45Å; Y338-T860 PolarHBondContact OH-OG1 2.95Å; Y338-M863 HydrophobicContact CD2-CG 4.14Å
339V91.9Very high90.9Very high65 Ų6555.2 Ų55.239%0.39429%0.291SS..Hα-helixtrans-59.8-37.9170.4172.10000110.7L335 Y342 R343L335-V339 WeakPolarHBondContact O-CG2 3.09Å; L335-V339 PolarHBondContact O-N 3.16Å; V339-Y342 PolarHBondContact O-N 3.21Å; V339-R343 HydrophobicContact CG1-CG 4.37Å; V339-R343 WeakPolarHBondContact O-CB 3.37Å; V339-R343 VanDerWaalsContact O-CG 3.28Å; V339-R343 WeakPolarHBondContact O-CG 3.48Å; V339-R343 PolarHBondContact O-N 3.41Å
340G92Very high90.8Very high17 Ų1759.2 Ų59.218%0.17530%0.304CS..Hα-helixtrans-61.2-44.6171.900000113.7V336 L337 Y338 V344V336-G340 PolarHBondContact O-N 3.4Å; L337-G340 CarbonylContact O-C 3.39Å; L337-G340 WeakPolarHBondContact O-CA 2.99Å; L337-G340 PolarHBondContact O-N 3.38Å; L337-G340 VanDerWaalsContact O-N 3.12Å; Y338-G340 PolarHBondContact O-N 3.04Å; G340-V344 WeakPolarHBondContact O-CG2 3.44Å; G340-V344 PolarHBondContact O-N 3.31Å; G340-V344 VanDerWaalsContact O-N 3.13Å
341I91.1Very high90.5Very high1 Ų165.5 Ų65.51%0.00533%0.328CS..Hα-helixtrans-59.5-51174.4-69.7167000109.7T249 R252 F253 L337 Y338 V344 A345 L856T249-I341 HydrophobicContact CG2-CD1 4.16Å; R252-I341 HydrophobicContact CB-CD1 3.94Å; F253-I341 HydrophobicContact CB-CD1 4.22Å; F253-I341 HydrophobicContact CB-CG1 3.82Å; F253-I341 HydrophobicContact CD2-CG1 4Å; F253-I341 HydrophobicContact CG-CG1 4.43Å; L337-I341 WeakPolarHBondContact O-CG1 3.37Å; L337-I341 PolarHBondContact O-N 2.89Å; Y338-I341 WeakPolarHBondContact O-CB 3.29Å; Y338-I341 PolarHBondContact O-N 3.33Å; Y338-I341 VanDerWaalsContact O-N 3.15Å; I341-V344 PolarHBondContact O-N 2.96Å; I341-A345 WeakPolarHBondContact O-CB 3.35Å; I341-A345 PolarHBondContact O-N 3.33Å; I341-L856 HydrophobicContact CG2-CD2 3.31Å
342Y90.4Very high89.8Confident155 Ų15565.2 Ų65.261%0.60833%0.327SS*.Hα-helixtrans-60.6-48-178.5-177.5-90.3000112Y338 V339 V344 A345 A346Y338-Y342 PolarHBondContact O-N 2.83Å; V339-Y342 PolarHBondContact O-N 3.21Å; Y342-V344 VanDerWaalsContact C-N 3.34Å; Y342-V344 PolarHBondContact O-N 3.25Å; Y342-A345 PolarHBondContact O-N 3Å; Y342-A346 WeakPolarHBondContact O-CB 3.34Å; Y342-A346 PolarHBondContact O-N 3.36Å
343R92.2Very high89.3Confident182 Ų18264.4 Ų64.469%0.68732%0.318SS*.Hα-helixtrans-59.3-41.9177.9-73.9176.6-177.2-168.13.3112.2V339 D347V339-R343 HydrophobicContact CG1-CG 4.37Å; V339-R343 WeakPolarHBondContact O-CB 3.37Å; V339-R343 VanDerWaalsContact O-CG 3.28Å; V339-R343 WeakPolarHBondContact O-CG 3.48Å; V339-R343 PolarHBondContact O-N 3.41Å; R343-D347 WeakPolarHBondContact O-CB 3.45Å; R343-D347 PolarHBondContact O-N 3.11Å; R343-D347 VanDerWaalsContact O-N 3.1Å
344V90.1Very high89Confident13 Ų1366.2 Ų66.28%0.07932%0.324CS..Hα-helixtrans-72.3-37.2177.3179.60000111.6V256 R257 G340 I341 Y342 D347 L348V256-V344 HydrophobicContact CG1-CB 4.02Å; V256-V344 HydrophobicContact CG1-CG1 3.7Å; R257-V344 HydrophobicContact CB-CG1 4.49Å; R257-V344 HydrophobicContact CB-CG2 4.46Å; R257-V344 HydrophobicContact CG-CG2 4.21Å; R257-V344 VanDerWaalsContact NH1-CG2 3.27Å; G340-V344 WeakPolarHBondContact O-CG2 3.44Å; G340-V344 PolarHBondContact O-N 3.31Å; G340-V344 VanDerWaalsContact O-N 3.13Å; I341-V344 PolarHBondContact O-N 2.96Å; Y342-V344 VanDerWaalsContact C-N 3.34Å; Y342-V344 PolarHBondContact O-N 3.25Å; V344-D347 PolarHBondContact O-N 3.26Å; V344-L348 HydrophobicContact CG1-CD1 3.97Å; V344-L348 HydrophobicContact CG1-CG 4.26Å; V344-L348 WeakPolarHBondContact O-CB 2.98Å; V344-L348 VanDerWaalsContact O-CG 3.25Å; V344-L348 WeakPolarHBondContact O-CG 3.27Å; V344-L348 PolarHBondContact O-N 3.02Å
345A87.1Confident88.5Confident20 Ų2072.2 Ų72.217%0.16535%0.35CS..Hα-helixtrans-62.3-42.3174.500000112.2I341 Y342 L348 Q349 L856I341-A345 WeakPolarHBondContact O-CB 3.35Å; I341-A345 PolarHBondContact O-N 3.33Å; Y342-A345 PolarHBondContact O-N 3Å; A345-L348 PolarHBondContact O-N 2.74Å; A345-Q349 PolarHBondContact O-N 3.49Å; A345-L856 HydrophobicContact CB-CD1 3.55Å; A345-L856 HydrophobicContact CB-CD2 4.21Å
346A88.2Confident87.8Confident49 Ų4976.7 Ų76.741%0.40536%0.361SS..Hα-helixtrans-64.4-44.1176.100000112.3Y342 Q349 K350Y342-A346 WeakPolarHBondContact O-CB 3.34Å; Y342-A346 PolarHBondContact O-N 3.36Å; A346-Q349 PolarHBondContact O-N 3.29Å; A346-K350 WeakPolarHBondContact O-CB 3.47Å; A346-K350 PolarHBondContact O-N 3.07Å
347D88.8Confident87.3Confident58 Ų5876.8 Ų76.831%0.3136%0.358SS..Hα-helixtrans-62.1-42.4173.7172.455.6000112.2R343 V344 Q349 K350 R351R343-D347 WeakPolarHBondContact O-CB 3.45Å; R343-D347 PolarHBondContact O-N 3.11Å; R343-D347 VanDerWaalsContact O-N 3.1Å; V344-D347 PolarHBondContact O-N 3.26Å; D347-Q349 PolarHBondContact O-N 3.4Å; D347-K350 PolarHBondContact O-N 3.34Å; D347-R351 VanDerWaalsContact CG-NE 3.29Å; D347-R351 WeakPolarHBondContact O-CB 3.5Å; D347-R351 VanDerWaalsContact O-CG 3.23Å; D347-R351 WeakPolarHBondContact O-CG 3.46Å; D347-R351 PolarHBondContact O-N 3.13Å; D347-R351 IonicContact OD1-CZ 3.08Å; D347-R351 IonicContact OD1-NE 3.22Å; D347-R351 PolarHBondContact OD1-NE 2.74Å; D347-R351 IonicContact OD1-NH2 2.8Å; D347-R351 PolarHBondContact OD1-NH2 2.92Å; D347-R351 IonicContact OD2-CZ 2.75Å; D347-R351 IonicContact OD2-NE 3.89Å; D347-R351 PolarHBondContact OD2-NE 3.28Å; D347-R351 IonicContact OD2-NH1 2.82Å; D347-R351 IonicContact OD2-NH2 3.17Å; D347-R351 PolarHBondContact OD2-NH2 3.15Å
348L84.9Confident86.8Confident85 Ų8583.3 Ų83.345%0.44538%0.381SS..Hα-helixtrans-63.8-38.1174.3-73.9172.2000112.5V256 V344 A345 R351 S352V256-L348 HydrophobicContact CG1-CD1 4.14Å; V344-L348 HydrophobicContact CG1-CD1 3.97Å; V344-L348 HydrophobicContact CG1-CG 4.26Å; V344-L348 WeakPolarHBondContact O-CB 2.98Å; V344-L348 VanDerWaalsContact O-CG 3.25Å; V344-L348 WeakPolarHBondContact O-CG 3.27Å; V344-L348 PolarHBondContact O-N 3.02Å; A345-L348 PolarHBondContact O-N 2.74Å; L348-R351 CarbonylContact O-C 3.47Å; L348-R351 PolarHBondContact O-N 3.12Å; L348-S352 PolarHBondContact O-N 2.74Å
349Q83.2Confident86.4Confident81 Ų8183.3 Ų83.338%0.37939%0.387SS..Hα-helixtrans-71.1-42.6175.3-174.7171.2-54.700111.8A345 A346 D347 R351 S352 D353A345-Q349 PolarHBondContact O-N 3.49Å; A346-Q349 PolarHBondContact O-N 3.29Å; D347-Q349 PolarHBondContact O-N 3.4Å; Q349-R351 PolarHBondContact O-N 3.23Å; Q349-S352 WeakPolarHBondContact CA-OG 3.36Å; Q349-S352 WeakPolarHBondContact O-CA 3.5Å; Q349-S352 PolarHBondContact O-N 3.2Å; Q349-S352 PolarHBondContact O-OG 3.1Å; Q349-D353 WeakPolarHBondContact CG-OD2 3.5Å; Q349-D353 VanDerWaalsContact O-CG 3.32Å; Q349-D353 PolarHBondContact O-N 3.34Å
350K88.2Confident85.7Confident137 Ų13782.7 Ų82.760%0.59639%0.385SS*.Hα-helixtrans-55.3-44.1172.3-175.6178.2175.81790110.9A346 D347 S352 D353 E354A346-K350 WeakPolarHBondContact O-CB 3.47Å; A346-K350 PolarHBondContact O-N 3.07Å; D347-K350 PolarHBondContact O-N 3.34Å; K350-S352 VanDerWaalsContact C-N 3.31Å; K350-S352 PolarHBondContact O-N 3.3Å; K350-D353 PolarHBondContact O-N 2.87Å; K350-E354 VanDerWaalsContact CE-OE1 3.29Å; K350-E354 WeakPolarHBondContact CE-OE1 3.48Å; K350-E354 WeakPolarHBondContact O-CB 3.44Å; K350-E354 WeakPolarHBondContact O-CG 3.35Å; K350-E354 PolarHBondContact O-N 2.73Å
351R86.3Confident85.1Confident132 Ų13283.2 Ų83.250%0.49839%0.39SS..Hα-helixtrans-71.1-16.4174.3-65.7173.7-161.7-159.96.6114.3D347 L348 Q349 K355D347-R351 VanDerWaalsContact CG-NE 3.29Å; D347-R351 WeakPolarHBondContact O-CB 3.5Å; D347-R351 VanDerWaalsContact O-CG 3.23Å; D347-R351 WeakPolarHBondContact O-CG 3.46Å; D347-R351 PolarHBondContact O-N 3.13Å; D347-R351 IonicContact OD1-CZ 3.08Å; D347-R351 IonicContact OD1-NE 3.22Å; D347-R351 PolarHBondContact OD1-NE 2.74Å; D347-R351 IonicContact OD1-NH2 2.8Å; D347-R351 PolarHBondContact OD1-NH2 2.92Å; D347-R351 IonicContact OD2-CZ 2.75Å; D347-R351 IonicContact OD2-NE 3.89Å; D347-R351 PolarHBondContact OD2-NE 3.28Å; D347-R351 IonicContact OD2-NH1 2.82Å; D347-R351 IonicContact OD2-NH2 3.17Å; D347-R351 PolarHBondContact OD2-NH2 3.15Å; L348-R351 CarbonylContact O-C 3.47Å; L348-R351 PolarHBondContact O-N 3.12Å; Q349-R351 PolarHBondContact O-N 3.23Å; R351-K355 WeakPolarHBondContact O-CB 3.3Å; R351-K355 WeakPolarHBondContact O-CD 3.44Å; R351-K355 VanDerWaalsContact O-CG 3.28Å; R351-K355 WeakPolarHBondContact O-CG 3.21Å
352S79.7Confident84.6Confident3 Ų388.6 Ų88.62%0.02142%0.419CS..Hα-helixtrans-78-4516765.40000111.9L348 Q349 K350 K355 R356 E849L348-S352 PolarHBondContact O-N 2.74Å; Q349-S352 WeakPolarHBondContact CA-OG 3.36Å; Q349-S352 WeakPolarHBondContact O-CA 3.5Å; Q349-S352 PolarHBondContact O-N 3.2Å; Q349-S352 PolarHBondContact O-OG 3.1Å; K350-S352 VanDerWaalsContact C-N 3.31Å; K350-S352 PolarHBondContact O-N 3.3Å; S352-K355 PolarHBondContact O-N 3.06Å; S352-R356 WeakPolarHBondContact O-CB 3.44Å; S352-R356 PolarHBondContact O-N 3.38Å; S352-E849 WeakPolarHBondContact CB-OE1 3.27Å
353D83.4Confident84Confident55 Ų5585.3 Ų85.329%0.29441%0.411SS..Hα-helixtrans-74.6-38.4-173.4-59.7-19.5000110.5Q349 K350 K355 R356 N357Q349-D353 WeakPolarHBondContact CG-OD2 3.5Å; Q349-D353 VanDerWaalsContact O-CG 3.32Å; Q349-D353 PolarHBondContact O-N 3.34Å; K350-D353 PolarHBondContact O-N 2.87Å; D353-K355 PolarHBondContact O-N 2.83Å; D353-R356 PolarHBondContact O-N 3.1Å; D353-N357 VanDerWaalsContact O-CB 3.3Å; D353-N357 WeakPolarHBondContact O-CB 3.42Å; D353-N357 PolarHBondContact O-N 3.32Å; D353-N357 PolarHBondContact O-ND2 3.22Å; D353-N357 PolarHBondContact O-OD1 2.85Å
354E87.4Confident83.4Confident72 Ų7280.1 Ų80.134%0.33640%0.399SS..Hα-helixtrans-56.2-46.6167-77.4-179.8-148.900112.7K350 N357 R358K350-E354 VanDerWaalsContact CE-OE1 3.29Å; K350-E354 WeakPolarHBondContact CE-OE1 3.48Å; K350-E354 WeakPolarHBondContact O-CB 3.44Å; K350-E354 WeakPolarHBondContact O-CG 3.35Å; K350-E354 PolarHBondContact O-N 2.73Å; E354-N357 PolarHBondContact O-N 3.16Å; E354-R358 VanDerWaalsContact O-CG 3.3Å; E354-R358 WeakPolarHBondContact O-CG 3.46Å; E354-R358 PolarHBondContact O-N 2.76Å; E354-R358 IonicContact OE2-NH2 3.28Å; E354-R358 PolarHBondContact OE2-NH2 2.74Å
355K82.6Confident82.6Confident125 Ų12583.6 Ų83.654%0.54342%0.418SS..Hα-helixtrans-69.2-35.5-180-75-179.3-179.9-177.90111.6R351 S352 D353 V359R351-K355 WeakPolarHBondContact O-CB 3.3Å; R351-K355 WeakPolarHBondContact O-CD 3.44Å; R351-K355 VanDerWaalsContact O-CG 3.28Å; R351-K355 WeakPolarHBondContact O-CG 3.21Å; S352-K355 PolarHBondContact O-N 3.06Å; D353-K355 PolarHBondContact O-N 2.83Å; K355-V359 WeakPolarHBondContact O-CG2 3.29Å; K355-V359 PolarHBondContact O-N 2.96Å
356R78.1Confident81.9Confident171 Ų17186.8 Ų86.865%0.64543%0.432SS*.Hα-helixtrans-64.1-46.7172.8-176.3179.5178.4-174.2-2.5110.5S352 D353 R358 V359 S360S352-R356 WeakPolarHBondContact O-CB 3.44Å; S352-R356 PolarHBondContact O-N 3.38Å; D353-R356 PolarHBondContact O-N 3.1Å; R356-R358 PolarHBondContact O-N 3.47Å; R356-V359 PolarHBondContact O-N 3.38Å; R356-V359 VanDerWaalsContact O-N 3.16Å; R356-S360 PolarHBondContact O-N 3.38Å; R356-S360 PolarHBondContact O-OG 3.48Å
357N82.8Confident81.1Confident108 Ų10888.2 Ų88.258%0.57843%0.432SS*.Hα-helixtrans-65.6-39.6-179.1-68-6.8000112D353 E354 V359 S360 G361D353-N357 VanDerWaalsContact O-CB 3.3Å; D353-N357 WeakPolarHBondContact O-CB 3.42Å; D353-N357 PolarHBondContact O-N 3.32Å; D353-N357 PolarHBondContact O-ND2 3.22Å; D353-N357 PolarHBondContact O-OD1 2.85Å; E354-N357 PolarHBondContact O-N 3.16Å; N357-V359 PolarHBondContact O-N 3.38Å; N357-S360 PolarHBondContact O-N 2.79Å; N357-G361 PolarHBondContact O-N 3.21Å
358R84Confident80.2Confident166 Ų16690.7 Ų90.763%0.62644%0.441SS*.Hα-helixtrans-60.2-43171.2-68.9175.1-154.3-150.68.4112E354 R356 L362E354-R358 VanDerWaalsContact O-CG 3.3Å; E354-R358 WeakPolarHBondContact O-CG 3.46Å; E354-R358 PolarHBondContact O-N 2.76Å; E354-R358 IonicContact OE2-NH2 3.28Å; E354-R358 PolarHBondContact OE2-NH2 2.74Å; R356-R358 PolarHBondContact O-N 3.47Å; R358-L362 WeakPolarHBondContact O-CG 3.47Å; R358-L362 PolarHBondContact O-N 2.69Å
359V81.1Confident79.5Confident54 Ų5491.5 Ų91.533%0.32745%0.446SS..Hα-helixtrans-67.4-41.6176.3171.30000111.8K355 R356 N357 L362 I363K355-V359 WeakPolarHBondContact O-CG2 3.29Å; K355-V359 PolarHBondContact O-N 2.96Å; R356-V359 PolarHBondContact O-N 3.38Å; R356-V359 VanDerWaalsContact O-N 3.16Å; N357-V359 PolarHBondContact O-N 3.38Å; V359-L362 PolarHBondContact O-N 3.18Å; V359-I363 HydrophobicContact CG1-CD1 4.12Å; V359-I363 WeakPolarHBondContact O-CG1 3.33Å; V359-I363 PolarHBondContact O-N 3.28Å; V359-I363 VanDerWaalsContact O-N 3.13Å
360S78.5Confident78.7Confident53 Ų5392 Ų9237%0.37145%0.452SS..Hα-helixtrans-61-47174.4-62.70000111.7R356 N357 L362 I363 T364R356-S360 PolarHBondContact O-N 3.38Å; R356-S360 PolarHBondContact O-OG 3.48Å; N357-S360 PolarHBondContact O-N 2.79Å; S360-L362 PolarHBondContact O-N 3.35Å; S360-I363 WeakPolarHBondContact O-CA 3.4Å; S360-I363 WeakPolarHBondContact O-CB 3.42Å; S360-I363 PolarHBondContact O-N 2.88Å; S360-T364 PolarHBondContact O-N 3.48Å; S360-T364 PolarHBondContact O-OG1 3.46Å
361G79Confident77.9Confident27 Ų2792.6 Ų92.628%0.27845%0.454SS..Hα-helixtrans-59.7-43.4177.100000112.6N357 I363 T364 N365N357-G361 PolarHBondContact O-N 3.21Å; G361-I363 PolarHBondContact O-N 3.36Å; G361-T364 PolarHBondContact O-N 3.32Å; G361-N365 WeakPolarHBondContact O-CB 3.4Å; G361-N365 PolarHBondContact O-N 3.15Å; G361-N365 PolarHBondContact O-OD1 3.44Å; G361-N365 VanDerWaalsContact O-OD1 3.08Å
362L81.4Confident77.1Confident114 Ų11490 Ų9060%0.59745%0.453SS*.Hα-helixtrans-61.2-32173.6-71.7170.5000112.8R358 V359 S360 N366R358-L362 WeakPolarHBondContact O-CG 3.47Å; R358-L362 PolarHBondContact O-N 2.69Å; V359-L362 PolarHBondContact O-N 3.18Å; S360-L362 PolarHBondContact O-N 3.35Å; L362-N366 WeakPolarHBondContact O-CB 3.2Å; L362-N366 PolarHBondContact O-N 2.94Å; L362-N366 PolarHBondContact O-ND2 3.25Å
363I77.8Confident76.7Confident87 Ų8793.1 Ų93.145%0.44647%0.472SS..Hα-helixtrans-73.3-46.7174.1-67.2164.4000110.7V359 S360 G361 N366 I367V359-I363 HydrophobicContact CG1-CD1 4.12Å; V359-I363 WeakPolarHBondContact O-CG1 3.33Å; V359-I363 PolarHBondContact O-N 3.28Å; V359-I363 VanDerWaalsContact O-N 3.13Å; S360-I363 WeakPolarHBondContact O-CA 3.4Å; S360-I363 WeakPolarHBondContact O-CB 3.42Å; S360-I363 PolarHBondContact O-N 2.88Å; G361-I363 PolarHBondContact O-N 3.36Å; I363-N366 PolarHBondContact O-N 3.06Å; I363-I367 HydrophobicContact CG2-CD1 3.86Å; I363-I367 WeakPolarHBondContact O-CG1 3.28Å; I363-I367 PolarHBondContact O-N 3.46Å
364T78.5Confident76Confident72 Ų7294.3 Ų94.344%0.44248%0.481SS..Hα-helixtrans-59.7-47.8178.3-580000111.7S360 G361 N366 I367 Q368S360-T364 PolarHBondContact O-N 3.48Å; S360-T364 PolarHBondContact O-OG1 3.46Å; G361-T364 PolarHBondContact O-N 3.32Å; T364-N366 VanDerWaalsContact C-N 3.32Å; T364-N366 PolarHBondContact O-N 2.7Å; T364-I367 CarbonylContact O-C 3.55Å; T364-I367 WeakPolarHBondContact O-CA 3.26Å; T364-I367 PolarHBondContact O-N 2.98Å; T364-Q368 PolarHBondContact O-N 2.92Å
365N73.3Confident75.1Confident87 Ų8796.5 Ų96.547%0.46549%0.491SS..Hα-helixtrans-63.4-37.4179.6-65.515.4000111.5G361 I367 Q368 N369G361-N365 WeakPolarHBondContact O-CB 3.4Å; G361-N365 PolarHBondContact O-N 3.15Å; G361-N365 PolarHBondContact O-OD1 3.44Å; G361-N365 VanDerWaalsContact O-OD1 3.08Å; N365-I367 VanDerWaalsContact C-N 3.35Å; N365-Q368 PolarHBondContact O-N 3.44Å; N365-N369 VanDerWaalsContact O-CB 3.32Å; N365-N369 WeakPolarHBondContact O-CB 3.35Å; N365-N369 PolarHBondContact O-N 3.05Å; N365-N369 PolarHBondContact O-OD1 3.25Å
366N72Confident74.3Confident86 Ų8696 Ų9646%0.4649%0.492SS..Hα-helixtrans-66-35.3172.6-89.3-86.4000112.4L362 I363 T364 N370L362-N366 WeakPolarHBondContact O-CB 3.2Å; L362-N366 PolarHBondContact O-N 2.94Å; L362-N366 PolarHBondContact O-ND2 3.25Å; I363-N366 PolarHBondContact O-N 3.06Å; T364-N366 VanDerWaalsContact C-N 3.32Å; T364-N366 PolarHBondContact O-N 2.7Å; N366-N370 VanDerWaalsContact O-CB 3.29Å; N366-N370 WeakPolarHBondContact O-CB 3.44Å; N366-N370 PolarHBondContact O-N 2.9Å; N366-N370 PolarHBondContact O-OD1 3.23Å
367I72.3Confident73.9Confident80 Ų8092.7 Ų92.741%0.4149%0.487SS..Hα-helixtrans-71.1-41.3176.1-68.2166.3000110.8I363 T364 N365 K371I363-I367 HydrophobicContact CG2-CD1 3.86Å; I363-I367 WeakPolarHBondContact O-CG1 3.28Å; I363-I367 PolarHBondContact O-N 3.46Å; T364-I367 CarbonylContact O-C 3.55Å; T364-I367 WeakPolarHBondContact O-CA 3.26Å; T364-I367 PolarHBondContact O-N 2.98Å; N365-I367 VanDerWaalsContact C-N 3.35Å; I367-K371 WeakPolarHBondContact O-CG 3.3Å; I367-K371 PolarHBondContact O-N 3.39Å
368Q70.2Confident73.4Confident109 Ų10991.8 Ų91.851%0.50948%0.481SS..Hα-helixtrans-64.1-52175-75.4176.3-57.600111.1T364 N365 N370 K371 T372T364-Q368 PolarHBondContact O-N 2.92Å; N365-Q368 PolarHBondContact O-N 3.44Å; Q368-N370 VanDerWaalsContact C-N 3.31Å; Q368-N370 PolarHBondContact O-N 3.45Å; Q368-K371 WeakPolarHBondContact O-CA 3.39Å; Q368-K371 WeakPolarHBondContact O-CB 3.43Å; Q368-K371 PolarHBondContact O-N 3.01Å; Q368-T372 PolarHBondContact O-N 2.93Å; Q368-T372 PolarHBondContact O-OG1 3.31Å
369N69Low72.7Confident103 Ų10387.8 Ų87.855%0.55147%0.472SS*.Hα-helixtrans-57-44.2178.2-71.26.3000111.7N365 K371 T372 T373N365-N369 VanDerWaalsContact O-CB 3.32Å; N365-N369 WeakPolarHBondContact O-CB 3.35Å; N365-N369 PolarHBondContact O-N 3.05Å; N365-N369 PolarHBondContact O-OD1 3.25Å; N369-K371 PolarHBondContact O-N 2.68Å; N369-T372 PolarHBondContact O-N 2.54Å; N369-T373 WeakPolarHBondContact O-CB 3.49Å; N369-T373 PolarHBondContact O-N 2.92Å; N369-T373 PolarHBondContact O-OG1 3.5Å; N369-T373 VanDerWaalsContact O-OG1 3.05Å
370N67.4Low71.8Confident92 Ų9290.5 Ų90.549%0.49249%0.485SS..Hα-helixtrans-61.8-41.5175.1-74.4-2.6000112.4N366 Q368 T374N366-N370 VanDerWaalsContact O-CB 3.29Å; N366-N370 WeakPolarHBondContact O-CB 3.44Å; N366-N370 PolarHBondContact O-N 2.9Å; N366-N370 PolarHBondContact O-OD1 3.23Å; Q368-N370 VanDerWaalsContact C-N 3.31Å; Q368-N370 PolarHBondContact O-N 3.45Å; N370-T374 WeakPolarHBondContact O-CB 3.47Å; N370-T374 PolarHBondContact O-N 2.96Å; N370-T374 PolarHBondContact O-OG1 2.99Å
371K70.5Confident70.9Confident149 Ų14994.4 Ų94.465%0.64850%0.498SS*.Hα-helixtrans-62.1-45.9175.1-78.4-178175.4-169.70111.6I367 Q368 N369 T374 H375I367-K371 WeakPolarHBondContact O-CG 3.3Å; I367-K371 PolarHBondContact O-N 3.39Å; Q368-K371 WeakPolarHBondContact O-CA 3.39Å; Q368-K371 WeakPolarHBondContact O-CB 3.43Å; Q368-K371 PolarHBondContact O-N 3.01Å; N369-K371 PolarHBondContact O-N 2.68Å; K371-T374 PolarHBondContact O-N 2.89Å; K371-H375 WeakPolarHBondContact O-CB 3.26Å; K371-H375 PolarHBondContact O-N 2.82Å
372T70.3Confident69.9Low76 Ų76102 Ų10247%0.46652%0.518SS..Hα-helixtrans-65.6-43.2-179.6-43.10000111.5Q368 N369 H375 M376Q368-T372 PolarHBondContact O-N 2.93Å; Q368-T372 PolarHBondContact O-OG1 3.31Å; N369-T372 PolarHBondContact O-N 2.54Å; T372-H375 PolarHBondContact O-N 3.32Å; T372-M376 HydrophobicContact CG2-CE 3.88Å; T372-M376 WeakPolarHBondContact O-CG 3.44Å; T372-M376 PolarHBondContact O-N 2.95Å
373T70.3Confident68.7Low70 Ų70100 Ų10043%0.42952%0.518SS..Hα-helixtrans-62.4-44.1175.2-60.40000111.8N369 H375 M376 L377N369-T373 WeakPolarHBondContact O-CB 3.49Å; N369-T373 PolarHBondContact O-N 2.92Å; N369-T373 PolarHBondContact O-OG1 3.5Å; N369-T373 VanDerWaalsContact O-OG1 3.05Å; T373-H375 VanDerWaalsContact C-N 3.33Å; T373-H375 PolarHBondContact O-N 3.13Å; T373-M376 PolarHBondContact O-N 3.33Å; T373-L377 HydrophobicContact CG2-CD1 4.01Å; T373-L377 HydrophobicContact CG2-CG 4.5Å; T373-L377 WeakPolarHBondContact O-CB 3.27Å; T373-L377 VanDerWaalsContact O-CG 3.32Å; T373-L377 WeakPolarHBondContact O-CG 3.33Å; T373-L377 PolarHBondContact O-N 3.31Å
374T69.7Low67.7Low79 Ų79101 Ų10149%0.48553%0.532SS..Hα-helixtrans-62.1-39.6174.5-62.90000111.9N370 K371 L377 L378N370-T374 WeakPolarHBondContact O-CB 3.47Å; N370-T374 PolarHBondContact O-N 2.96Å; N370-T374 PolarHBondContact O-OG1 2.99Å; K371-T374 PolarHBondContact O-N 2.89Å; T374-L377 PolarHBondContact O-N 3.39Å; T374-L378 HydrophobicContact CG2-CD1 3.94Å; T374-L378 HydrophobicContact CG2-CG 4.46Å; T374-L378 WeakPolarHBondContact O-CB 3.37Å; T374-L378 VanDerWaalsContact O-CG 3.32Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.01Å
375H67.5Low66.4Low119 Ų119102.3 Ų102.355%0.55155%0.545SS*.Hα-helixtrans-67.9-38.6177.5-162-74.3000112.6K371 T372 T373 N379K371-H375 WeakPolarHBondContact O-CB 3.26Å; K371-H375 PolarHBondContact O-N 2.82Å; T372-H375 PolarHBondContact O-N 3.32Å; T373-H375 VanDerWaalsContact C-N 3.33Å; T373-H375 PolarHBondContact O-N 3.13Å; H375-N379 PolarHBondContact O-N 3.05Å; H375-N379 VanDerWaalsContact O-N 3.09Å
376M67.6Low65.2Low114 Ų114107 Ų10756%0.56256%0.563SS**Hα-helixtrans-64.6-43.7172.9-74.8-168-93.400112T372 T373 N379 N380T372-M376 HydrophobicContact CG2-CE 3.88Å; T372-M376 WeakPolarHBondContact O-CG 3.44Å; T372-M376 PolarHBondContact O-N 2.95Å; T373-M376 PolarHBondContact O-N 3.33Å; M376-N379 PolarHBondContact O-N 3.43Å; M376-N380 PolarHBondContact O-N 2.91Å
377L69.8Low63.7Low102 Ų102106 Ų10653%0.53457%0.573SS.*Hα-helixtrans-63.5-42.4177.4-73.1168.6000112.3T373 T374 N380 Q381T373-L377 HydrophobicContact CG2-CD1 4.01Å; T373-L377 HydrophobicContact CG2-CG 4.5Å; T373-L377 WeakPolarHBondContact O-CB 3.27Å; T373-L377 VanDerWaalsContact O-CG 3.32Å; T373-L377 WeakPolarHBondContact O-CG 3.33Å; T373-L377 PolarHBondContact O-N 3.31Å; T374-L377 PolarHBondContact O-N 3.39Å; L377-N380 PolarHBondContact O-N 3.49Å; L377-Q381 WeakPolarHBondContact O-CG 3.23Å; L377-Q381 PolarHBondContact O-N 2.97Å
378L71.2Confident62.3Low88 Ų88108.4 Ų108.446%0.46159%0.591SS.*Hα-helixtrans-64.9-38.5176.6-75.2168.6000112.5T374 R382T374-L378 HydrophobicContact CG2-CD1 3.94Å; T374-L378 HydrophobicContact CG2-CG 4.46Å; T374-L378 WeakPolarHBondContact O-CB 3.37Å; T374-L378 VanDerWaalsContact O-CG 3.32Å; T374-L378 WeakPolarHBondContact O-CG 3.37Å; T374-L378 PolarHBondContact O-N 3.01Å; L378-R382 WeakPolarHBondContact O-CG 3.09Å; L378-R382 PolarHBondContact O-N 3.47Å; L378-R382 VanDerWaalsContact O-N 3.14Å
379N69.4Low60.8Low82 Ų82110.5 Ų110.544%0.43961%0.606SS.*Hα-helixtrans-68-42.7175.1-868.6000112.2H375 M376 Q381 R382 A383H375-N379 PolarHBondContact O-N 3.05Å; H375-N379 VanDerWaalsContact O-N 3.09Å; M376-N379 PolarHBondContact O-N 3.43Å; N379-Q381 VanDerWaalsContact C-N 3.35Å; N379-Q381 PolarHBondContact O-N 3.43Å; N379-R382 PolarHBondContact O-N 2.88Å; N379-A383 PolarHBondContact O-N 2.89Å
380N62.7Low59.2Low111 Ų111114.5 Ų114.559%0.59462%0.622SS**Hα-helixtrans-64.4-38.1176.7-79.64.5000112.3M376 L377 R382 A383 S384M376-N380 PolarHBondContact O-N 2.91Å; L377-N380 PolarHBondContact O-N 3.49Å; N380-R382 VanDerWaalsContact C-N 3.32Å; N380-R382 PolarHBondContact O-N 2.73Å; N380-A383 PolarHBondContact O-N 3.05Å; N380-S384 PolarHBondContact O-N 3.39Å; N380-S384 PolarHBondContact O-OG 2.92Å
381Q59.3Low57.8Low135 Ų135119.9 Ų119.963%0.63164%0.64SS**Hα-helixtrans-65.8-32.3174.6-75.5-177.2-18.600113L377 N379 S385L377-Q381 WeakPolarHBondContact O-CG 3.23Å; L377-Q381 PolarHBondContact O-N 2.97Å; N379-Q381 VanDerWaalsContact C-N 3.35Å; N379-Q381 PolarHBondContact O-N 3.43Å; Q381-S385 PolarHBondContact O-OG 3.25Å
382R57.9Low56.3Low188 Ų188118.4 Ų118.471%0.70964%0.644SS**Hα-helixtrans-73.2-36.1172-74.2177.8173.5176.5-3.2112.7L378 N379 N380L378-R382 WeakPolarHBondContact O-CG 3.09Å; L378-R382 PolarHBondContact O-N 3.47Å; L378-R382 VanDerWaalsContact O-N 3.14Å; N379-R382 PolarHBondContact O-N 2.88Å; N380-R382 VanDerWaalsContact C-N 3.32Å; N380-R382 PolarHBondContact O-N 2.73Å
383A56.5Low54.8Low71 Ų71120.1 Ų120.159%0.58765%0.654SS**Hα-helixtrans-65.7-42.6176.700000112.3N379 N380 S385N379-A383 PolarHBondContact O-N 2.89Å; N380-A383 PolarHBondContact O-N 3.05Å; A383-S385 VanDerWaalsContact C-N 3.26Å; A383-S385 PolarHBondContact O-N 2.91Å
384S55.4Low53.4Low107 Ų107123.2 Ų123.275%0.74867%0.668SS**THydrogen-bonded Turntrans-74-6.7-177.5-62.60000115.6N380N380-S384 PolarHBondContact O-N 3.39Å; N380-S384 PolarHBondContact O-OG 2.92Å
385S52.1Low51.8Low101 Ų101125.8 Ų125.871%0.70668%0.679SS**THydrogen-bonded Turntrans-100.90.5178.1-66.90000114.4Q381 A383Q381-S385 PolarHBondContact O-OG 3.25Å; A383-S385 VanDerWaalsContact C-N 3.26Å; A383-S385 PolarHBondContact O-N 2.91Å
386H48.8Very low50.6Low186 Ų186128.5 Ų128.586%0.86169%0.692SS**SBendtrans-98.234.4179.9-96.5-54.6000113.9
387G40.4Very low49.1Very low65 Ų65129.1 Ų129.167%0.6770%0.697SS**  trans-146.557.6-173.900000115.5
388V42.7Very low47.4Very low129 Ų129134.2 Ų134.278%0.78271%0.711SS**SBendtrans-161.9129.9150.5132.70000110.5
389N37.5Very low45.7Very low154 Ų154135.4 Ų135.482%0.82472%0.724SS**  trans47.6121162-60.8-12.8000121.8
390Q36.2Very low44Very low187 Ų187142.4 Ų142.487%0.87475%0.746SS**  trans-81.5178.8161.5-61.5169.2-22.300111.7
391K37.4Very low42.5Very low204 Ų204143.9 Ų143.989%0.88775%0.754SS**  trans80.3131.8-176.5-55.5178.7175.6179.10112.5
392T38.9Very low41.2Very low119 Ų119141.8 Ų141.873%0.7375%0.754SS**  cis-138.8143.11345.10000114.6
393T40.6Very low40.1Very low111 Ų111138.1 Ų138.168%0.68176%0.757SS**  trans56.9116.9141.458.20000123.4
394N39.5Very low39.1Very low135 Ų135143.3 Ų143.372%0.72277%0.773SS**  81.7118.7126.7-58.14.1000122
395N37.5Very low38.1Very low134 Ų134141.8 Ų141.872%0.71777%0.774SS**  trans32.8132.1135.8-45.2-6.5000119.4
396H42Very low37.4Very low175 Ų175140.2 Ų140.281%0.8177%0.774SS**  cis-154.616847.6-96.5-86.6000114.3
397N36.2Very low36.8Very low127 Ų127139.8 Ų139.868%0.67978%0.777SS**  trans-60.9146.9161.3-65.2-22.7000110.3
398Y33.3Very low36.7Very low210 Ų210140 Ų14082%0.82478%0.78SS**  -169.8166.470.4-90.6-75.5000110.9
399P35.6Very low36.4Very low113 Ų113141.1 Ų141.173%0.73478%0.782SS**  trans-88.3151.4-178.635.8-32.9000112.9
400Y33.2Very low36.4Very low228 Ų228139.6 Ų139.689%0.89478%0.783SS**  trans-145.8158.4165.5-139-100.6000113
401N31.1Very low36.4Very low143 Ų143136.7 Ų136.777%0.76578%0.783SS**  trans-92.6178.5-178.1-85.8-37.9000112.6
402S33.1Very low36.3Very low91 Ų91130.9 Ų130.964%0.63678%0.781SS**  trans86117.2141.769.70000121.4
403S33.6Very low35.9Very low111 Ų111133.1 Ų133.178%0.77678%0.781SS**  82.2169.1124.2-61.30000121.8
404I36Very low35.7Very low179 Ų179135.3 Ų135.392%0.91879%0.789SS**  trans81.1131175-50.3167.9000114.2
405G34.6Very low35.5Very low75 Ų75132.6 Ų132.677%0.77378%0.78SS**  cis168.6164.7-7.300000113.7
406G36.7Very low35.5Very low68 Ų68133.2 Ų133.270%0.70178%0.783SS**  trans116.9106.9176.400000113.4
407L37Very low35.2Very low177 Ų177134.2 Ų134.293%0.92779%0.789SS**  70.412571.8-67.6165.1000112.7
408G37.4Very low35Very low71 Ų71131.2 Ų131.273%0.73279%0.788SS**  cis-161.7-167.2-600000107.8
409D36.9Very low35.2Very low152 Ų152130.8 Ų130.881%0.81379%0.79SS**  cis-167.7176.2-2.9-134.7-29.4000109.7
410S38.6Very low35.1Very low121 Ų121129.7 Ų129.785%0.84679%0.785SS**  trans101.1139.4169.3-44.30000118.3
411S34.4Very low35.4Very low126 Ų126125.8 Ų125.888%0.88178%0.78SS**  trans-107.3158.6-165.150.90000115.1
412G35.4Very low35.7Very low82 Ų82124.1 Ų124.185%0.84578%0.777SS**  trans-158.8102.8165.400000108.4
413F31.3Very low35.8Very low166 Ų166125.5 Ų125.573%0.72878%0.781SS**  trans-109.6136-171.3176.8-82.5000109.7S415F413-S415 VanDerWaalsContact CZ-OG 3.29Å; F413-S415 WeakPolarHBondContact CZ-OG 3.29Å
414D36.3Very low36Very low158 Ų158131.5 Ų131.585%0.84579%0.787SS**  trans-161.3154.2141.8-95.9-29.8000109.1
415S34.7Very low36.1Very low77 Ų77130.3 Ų130.354%0.53878%0.777SS.*  trans-132.6-166.5-165.9-62.70000112.3F413F413-S415 VanDerWaalsContact CZ-OG 3.29Å; F413-S415 WeakPolarHBondContact CZ-OG 3.29Å
416D37.7Very low36.1Very low147 Ų147133.6 Ų133.679%0.78678%0.777SS**  trans102.5110.7178.1-56.6-4.7000112.2
417E35.5Very low36Very low197 Ų197136.8 Ų136.892%0.92178%0.783SS**  62.3132.951.8-57-149.8110.600114
418G31.7Very low35.7Very low64 Ų64135.9 Ų135.966%0.6678%0.779SS**  cis173.9154.1-6.200000112.9
419K37.6Very low35.4Very low200 Ų200137 Ų13787%0.8778%0.775SS**  trans172.9116.7163.6-99.7154.3-177.2174.20107.7
420S34.5Very low35.3Very low90 Ų90139.5 Ų139.563%0.62978%0.779SS**  61.4126.363.394.90000111.2
421D38.9Very low35.1Very low146 Ų146139.4 Ų139.478%0.78177%0.773SS**  cis-147.6174.635.7-85.9-65.5000114.9
422P38.7Very low35Very low109 Ų109139.5 Ų139.571%0.70877%0.769SS**  trans-130.7-147.2-150.642.6-24.9000116.1
423V35.4Very low34.9Very low120 Ų120145.6 Ų145.673%0.72777%0.772SS**  trans89.5104168-168.10000117.9
424R37.5Very low35Very low236 Ų236146.6 Ų146.689%0.89178%0.784SS**  -173.890.699.6-155.3171.6-160.7-1796.1113.8
425Q37Very low34.8Very low155 Ų155142.3 Ų142.372%0.72478%0.777SS**  trans2.4138.4139.4-66.8174.4-21.900121.1
426N33.9Very low34.7Very low143 Ų143148 Ų14877%0.76580%0.795SS**  trans65151.4140.3-58.3-13.4000118.4
427T36.4Very low34.6Very low135 Ų135150.3 Ų150.383%0.82880%0.798SS**  cis-146.915628.7-46.60000113.4
428L30.6Very low34.5Very low159 Ų159149 Ų14983%0.83279%0.792SS**  trans-72.8169172.7-173.462.9000113.2
429S30Very low34.4Very low95 Ų95153.5 Ų153.566%0.66480%0.801SS**  trans87113.9157.378.50000120.4
430K34.4Very low34.1Very low203 Ų203154.3 Ų154.388%0.88380%0.799SS**  trans174.471.1144.4-99.5167.3-176.7172.30108.3
431T35.2Very low34.2Very low120 Ų120157.9 Ų157.974%0.73681%0.805SS**  40.6108.392.69.10000115
432T31.5Very low33.9Very low128 Ų128157.4 Ų157.479%0.78580%0.802SS**  trans51.694.9140.6-41.10000119
433K34.8Very low33.5Very low209 Ų209158 Ų15891%0.90980%0.803SS**  trans-164.194.3141.5-112.3165.9-174.3178.30112
434L33.2Very low33.4Very low188 Ų188161.2 Ų161.298%0.98481%0.807SS**  trans-132.395.4158.9-144.587.7000107.3
435G31.3Very low33.2Very low68 Ų68156.2 Ų156.270%0.70180%0.803SS**  trans-168.8129.2-173.300000112.4
436E32.4Very low33Very low196 Ų196154.4 Ų154.492%0.91681%0.807SS**  trans53.385.7155.4-55.8-167.1120.400119.7
437K35.8Very low32.9Very low195 Ų195151.8 Ų151.885%0.84881%0.806SS**  trans-146.4138.1133.6-82-163.6178.6-175.20109.3
438Q34.8Very low32.6Very low171 Ų171152.7 Ų152.780%0.79980%0.801SS**  cis-158149-23.2-152.9164.2-4.900106.8
439N29Very low32.6Very low157 Ų157150.6 Ų150.684%0.8480%0.797SS**  trans-94.2164-176.4-152.8-12000111.8
440R31.9Very low32.7Very low218 Ų218154.3 Ų154.382%0.82380%0.804SS**  trans85146.3-165.8-54169.7-177.6-164.3-0.6113.1
441Q35.7Very low32.5Very low164 Ų164151.4 Ų151.477%0.76680%0.803SS**  cis-136.9126.49.2-122.8142.9-41.500109.7
442I33.3Very low32.4Very low137 Ų137155.1 Ų155.170%0.70381%0.812SS**  7699.395.9-64.4-178.5000116.1
443T29.1Very low32.4Very low121 Ų121157.4 Ų157.474%0.74281%0.814SS**  trans39.7126.9144.4650000123.4
444K34.5Very low32.3Very low188 Ų188152.1 Ų152.182%0.81781%0.809SS**  -170114.3120.9-98.6162.4-176.1-177.90108.1
445T33.1Very low32.2Very low130 Ų130152.2 Ų152.280%0.79880%0.802SS**  53.713197.5600000114.5
446S32.2Very low32.2Very low117 Ų117154.4 Ų154.482%0.81880%0.802SS**  cis-152.8-168.36.5-157.40000112.2
447A32Very low32.3Very low89 Ų89149.7 Ų149.774%0.73680%0.796SS**  trans-39.3153.3174.800000115.3
448E30.7Very low32.1Very low153 Ų153147.5 Ų147.572%0.71579%0.793SS**  -155.2147.563.2-172.5-179.9149.400113.8Q450E448-Q450 PolarHBondContact OE1-NE2 2.01Å
449P30.6Very low32.2Very low116 Ų116144.8 Ų144.875%0.75379%0.79SS**  trans-108.7125.9175.436.4-25.9000113.6
450Q32.4Very low32.3Very low172 Ų172149.1 Ų149.180%0.80480%0.795SS**  trans-132.4152.8164-63.8-163.22600111.9E448E448-Q450 PolarHBondContact OE1-NE2 2.01Å
451T29.1Very low32.3Very low143 Ų143146.2 Ų146.288%0.87779%0.794SS**  trans-91.6144.7-165.346.10000114.1
452E32.3Very low32.1Very low197 Ų197147.2 Ų147.292%0.92180%0.799SS**  trans-142.5160.2151.2-143.6176.1-159.200111.2
453E33Very low32Very low177 Ų177145.4 Ų145.483%0.82780%0.804SS**  trans-91.1142.6-151.5-58.8-170.2130.200116.4F455E453-F455 PolarHBondContact O-N 2.88Å
454A31.6Very low32.1Very low98 Ų98148 Ų14881%0.8180%0.8SS**  trans-82.391.2171.900000111.7V456A454-V456 PolarHBondContact O-N 3.48Å
455F30.9Very low31.7Very low189 Ų189144.7 Ų144.783%0.82980%0.799SS**  trans-65.4113.8-174.1-155.3-88000113.8E453 A457E453-F455 PolarHBondContact O-N 2.88Å; F455-A457 PolarHBondContact O-N 2.8Å
456V32.8Very low31.6Very low115 Ų115143.9 Ų143.970%0.69779%0.79SS**  trans-79.3111.6-178177.60000111.5A454 L458A454-V456 PolarHBondContact O-N 3.48Å; V456-L458 PolarHBondContact O-N 3.22Å
457A34Very low31.7Very low96 Ų96146 Ų14679%0.79379%0.79SS**  trans-74.286.8178.100000113F455F455-A457 PolarHBondContact O-N 2.8Å
458L31.8Very low31.8Very low149 Ų149148 Ų14878%0.7879%0.785SS**  trans-59.7144.1172.6-79.3168.7000112.6V456 R460V456-L458 PolarHBondContact O-N 3.22Å; L458-R460 PolarHBondContact O-N 2.8Å
459P36.7Very low31.9Very low114 Ų114146.4 Ų146.474%0.7479%0.788SS**  trans-69.6126.9175.729.1-33.4000110.9I461P459-I461 PolarHBondContact O-N 2.88Å
460R31.2Very low32.1Very low249 Ų249146 Ų14694%0.9479%0.788SS**  trans-59.6114.1-175.3-163.7177.2-163.4150.54.5112.1L458L458-R460 PolarHBondContact O-N 2.8Å
461I31.5Very low32.1Very low156 Ų156145.7 Ų145.780%0.879%0.788SS**  trans-66.9144.1171.4-63.4173.8000109.5P459 A463P459-I461 PolarHBondContact O-N 2.88Å; I461-A463 PolarHBondContact O-N 3.2Å
462E31.5Very low32.3Very low186 Ų186147 Ų14787%0.86979%0.789SS**  trans-75.8111.8175.2-65.9-175.1128.400110.3R464E462-R464 PolarHBondContact O-N 3.29Å; E462-R464 VanDerWaalsContact O-N 3.09Å
463A31.2Very low32.3Very low99 Ų99140.8 Ų140.882%0.81878%0.778SS**  trans-72.2100.8172.700000109.9I461I461-A463 PolarHBondContact O-N 3.2Å
464R30.3Very low32.4Very low174 Ų174136.8 Ų136.866%0.65778%0.775SS**  trans-92.9114.3172.4-172176.2174.6154.10.9108.4E462 D466E462-R464 PolarHBondContact O-N 3.29Å; E462-R464 VanDerWaalsContact O-N 3.09Å; R464-D466 WeakPolarHBondContact CD-OD2 3.1Å; R464-D466 WeakPolarHBondContact CG-OD2 3.38Å; R464-D466 IonicContact CZ-OD2 2.76Å; R464-D466 IonicContact NE-OD2 2.65Å; R464-D466 PolarHBondContact NE-OD2 3.17Å; R464-D466 IonicContact NH2-OD2 2.76Å; R464-D466 PolarHBondContact O-N 3Å
465C26.6Very low32.5Very low119 Ų119138.8 Ų138.880%0.80478%0.777SS**  trans-8782.1-178.9-62.60000110.2
466D31.9Very low32.5Very low113 Ų113133.1 Ų133.160%0.60477%0.772SS**  trans-112.8109.4165.3-62-42.6000106.8R464R464-D466 WeakPolarHBondContact CD-OD2 3.1Å; R464-D466 WeakPolarHBondContact CG-OD2 3.38Å; R464-D466 IonicContact CZ-OD2 2.76Å; R464-D466 IonicContact NE-OD2 2.65Å; R464-D466 PolarHBondContact NE-OD2 3.17Å; R464-D466 IonicContact NH2-OD2 2.76Å; R464-D466 PolarHBondContact O-N 3Å
467I34.1Very low32.5Very low161 Ų161136 Ų13683%0.82678%0.782SS**  trans-128.7110175.6-60.1177.5000107.5
468E32.7Very low32.2Very low133 Ų133138.8 Ų138.862%0.62178%0.782SS**  trans-93150.3164.1-90.1-175.6125.600110.5N596E468-N596 PolarHBondContact OE1-ND2 3.39Å
469P32.8Very low32.4Very low119 Ų119137.4 Ų137.477%0.77378%0.782SS**  trans-89.7145.3-168.135-35.2000113.1
470S35.5Very low32.1Very low107 Ų107138.2 Ų138.275%0.74879%0.785SS**  trans-153.8132.2155.2490000112.8
471M33.5Very low32.1Very low165 Ų165136.3 Ų136.381%0.81378%0.783SS**  trans60.8119.7156.1-57.5-50.9173.900121.5
472L33.2Very low32Very low171 Ų171134.7 Ų134.790%0.89578%0.781SS**  trans50.4140.4150.3-68.383.4000119.2
473G32Very low32.1Very low67 Ų67136 Ų13669%0.69178%0.784SS**  cis156.9146.9-100000110.9
474A33.7Very low32.1Very low93 Ų93137 Ų13777%0.76977%0.774SS**  trans65.7125.9173.400000119.5
475T33.8Very low32Very low140 Ų140135 Ų13586%0.85979%0.785SS**  trans48.5109.2140.758.70000121.7
476G30.7Very low32.2Very low70 Ų70135.9 Ų135.972%0.72278%0.782SS**  107.5124.4103.300000120.6
477I33.4Very low32.3Very low174 Ų174138.9 Ų138.989%0.89280%0.797SS**  trans80.6139.4144.6-55.1175.5000118.6
478I28.2Very low32.3Very low155 Ų155135 Ų13580%0.79579%0.785SS**  trans-85.9140.1-177-66.7159.3000108.2
479P35Very low32.3Very low120 Ų120138.2 Ų138.278%0.77980%0.796SS**  -154.3-175.373.340.4-17.6000118.5
480T30.5Very low32.5Very low131 Ų131137.6 Ų137.680%0.80480%0.801SS**  trans-75.3161.1177.148.20000114.4
481K32.2Very low32.5Very low210 Ų210139.4 Ų139.491%0.91380%0.802SS**  trans-158.3146139.4-117.4168.4-173175.90113.8
482T30.2Very low32.4Very low122 Ų122136.5 Ų136.575%0.74880%0.796SS**  trans-84.7168.9175.620.80000112.2
483K33.5Very low32.6Very low213 Ų213135.5 Ų135.593%0.92679%0.791SS**  trans-114.6150.8156.8-113.6-173.4176.8-172.40110.5
484I30.5Very low32.8Very low120 Ų120144 Ų14462%0.61580%0.803SS**  trans-137.4148.4-165.4-69.5168.1000107.8D486I484-D486 VanDerWaalsContact CG2-N 3.32Å
485C28.8Very low32.8Very low132 Ų132147 Ų14789%0.89281%0.805SS**  trans-129.294.8150.1-62.50000105.2
486D30.6Very low32.9Very low138 Ų138147 Ų14774%0.73880%0.8SS**  77.5101.377.1-87.7-31000113.7I484I484-D486 VanDerWaalsContact CG2-N 3.32Å
487L33.8Very low33.1Very low175 Ų175152.2 Ų152.292%0.91681%0.805SS**  trans-153.274.2158.2-117.4165.9000112.1
488S33.9Very low33.3Very low81 Ų81150.7 Ų150.757%0.56680%0.803SS**  trans51105.5144.7-177.50000121.7
489K33.4Very low33.6Very low200 Ų200148.4 Ų148.487%0.8780%0.799SS**  trans59.3115.5133.1-53.2170.2-169.2170.80120.1
490A35.2Very low33.6Very low105 Ų105151.7 Ų151.787%0.86880%0.804SS**  -172.1144113.100000113.5
491N36.3Very low33.5Very low146 Ų146152.1 Ų152.178%0.78181%0.807SS**  trans-66.7137.7-172.9-172.927.1000116
492P32.5Very low33.6Very low104 Ų104149.3 Ų149.368%0.67580%0.802SS**  trans-99.7149.1174.137.4-33.1000114.6
493N36.7Very low33.7Very low149 Ų149151 Ų15180%0.79781%0.805SS**  trans-169.3153163.9-104.8-48.5000111.7
494R35.9Very low33.4Very low246 Ų246144 Ų14493%0.92879%0.794SS**  trans69.8122.5-167.9-50.6-179.3-175.5-130.81.7112.7
495L34Very low33.4Very low155 Ų155150 Ų15081%0.81281%0.81SS**  cis91.6127.112.3-140.189.6000116.5
496N34.9Very low33.2Very low141 Ų141149.1 Ų149.175%0.75481%0.806SS**  trans71.4121.3176.7-51.1-8.8000115.2
497E36.2Very low33.1Very low180 Ų180148.4 Ų148.484%0.84181%0.81SS**  -168.1156.360.9-90.2-175.4155.800114.2
498V36.8Very low33Very low141 Ų141145.9 Ų145.986%0.85580%0.804SS**  trans70145.8155.4173.60000118.2
499P35.4Very low32.6Very low107 Ų107148.2 Ų148.270%0.69582%0.815SS**  trans-119.5172.4-141.543.8-35000119
500E33.9Very low32.3Very low189 Ų189144 Ų14488%0.88381%0.811SS**  trans66113154.7-77.5170.5-160.200120.7
501T29.9Very low31.9Very low141 Ų141144.6 Ų144.687%0.86580%0.803SS**  trans-146.4142.4171.356.90000109
502D32.8Very low31.5Very low151 Ų151145.1 Ų145.181%0.80780%0.803SS**  trans-141.3148.2173.2-135.2-11000113.7
503L33.4Very low31.5Very low157 Ų157146.8 Ų146.882%0.82281%0.811SS**  trans32.492.2178-77.572.3000117.1
504G27.8Very low30.9Very low67 Ų67144.6 Ų144.669%0.69181%0.807SS**  97.6123.957.500000113.6
505Y29.8Very low30.7Very low244 Ų244142.8 Ų142.896%0.95781%0.806SS**  trans87.391.9170-62.4-78.5000120.6
506S24.8Very low30.6Very low115 Ų115140 Ų14080%0.80480%0.8SS**  trans-148157.6149.266.60000111
507C27.1Very low30.4Very low122 Ų122141.7 Ų141.782%0.82481%0.808SS**  trans132.8153.4165.1-80.70000114
508P32.2Very low30.1Very low123 Ų123136.3 Ų136.380%0.79980%0.801SS**  cis-127.1177-22.735.8-18.9000113.5
509T26.8Very low29.6Very low130 Ų130137 Ų13780%0.79880%0.799SS**  trans-106.7175.3-179.345.40000113
510S25.5Very low29.2Very low110 Ų110137.4 Ų137.477%0.76980%0.799SS**  trans73.8158.6169.880.60000116.1
511V27.2Very low28.9Very low118 Ų118134.9 Ų134.972%0.71579%0.79SS**  cis-139.6163.812.3-163.70000111
512M29Very low28.8Very low157 Ų157132.9 Ų132.977%0.77378%0.782SS**  trans104.195137.6-131.7171.3-64.600121.9
513V30.9Very low28.4Very low139 Ų139130 Ų13084%0.84277%0.774SS**  71.9135.1129177.50000121.2
514S24.9Very low28.5Very low103 Ų103128.6 Ų128.672%0.7277%0.774SS**  trans-74.4148.1177.31760000114.6
515K32.3Very low28.5Very low209 Ų209131.1 Ų131.191%0.90978%0.776SS**  trans-144.5149143.2-114.5170.9-173.2173.60111.3
516S30.6Very low28.4Very low96 Ų96126.9 Ų126.967%0.67177%0.769SS**  trans-91.3174-165.352.60000114.6
517L30.7Very low28.6Very low176 Ų176127.3 Ų127.392%0.92177%0.767SS**  trans79.6140.4169.9-55.6161.8000116.1
518G30.2Very low28.5Very low67 Ų67128.6 Ų128.669%0.69177%0.766SS**  trans141.88.4175.800000117.4V520G518-V520 PolarHBondContact O-N 3.47Å
519L25.5Very low28.2Very low156 Ų156129.8 Ų129.882%0.81777%0.765SS**  trans-74.487.2-177-137.3179.5000111.4I521L519-I521 HydrophobicContact CD2-CD1 3.84Å; L519-I521 HydrophobicContact CD2-CG1 3.66Å
520V27.5Very low28.2Very low115 Ų115131.6 Ų131.670%0.69777%0.77SS**  trans-114.988.7176.7-175.40000110G518 S522G518-V520 PolarHBondContact O-N 3.47Å; V520-S522 VanDerWaalsContact C-N 3.33Å; V520-S522 WeakPolarHBondContact CG1-OG 3.28Å; V520-S522 PolarHBondContact O-N 3.22Å; V520-S522 VanDerWaalsContact O-N 3.08Å
521I27.5Very low28.3Very low136 Ų136132 Ų13270%0.69777%0.773SS**  trans-7886.7168.5-59.4172000107.8L519 S523L519-I521 HydrophobicContact CD2-CD1 3.84Å; L519-I521 HydrophobicContact CD2-CG1 3.66Å; I521-S523 PolarHBondContact O-N 3.09Å
522S28.5Very low28.2Very low100 Ų100129.6 Ų129.670%0.69977%0.771SS**  trans-75.175.7171-63.50000111.1V520 P524V520-S522 VanDerWaalsContact C-N 3.33Å; V520-S522 WeakPolarHBondContact CG1-OG 3.28Å; V520-S522 PolarHBondContact O-N 3.22Å; V520-S522 VanDerWaalsContact O-N 3.08Å; S522-P524 VanDerWaalsContact O-CD 3.3Å; S522-P524 WeakPolarHBondContact O-CD 3.36Å
523S24.8Very low28.1Very low91 Ų91130.1 Ų130.164%0.63678%0.777SS**  trans-70.5118.9163.8-70.10000110.2I521 V525I521-S523 PolarHBondContact O-N 3.09Å; S523-V525 PolarHBondContact O-N 2.99Å
524P35.5Very low27.9Very low127 Ų127130.9 Ų130.983%0.82577%0.771SS**  trans-79.4106162.3-1.722.1000107.6S522S522-P524 VanDerWaalsContact O-CD 3.3Å; S522-P524 WeakPolarHBondContact O-CD 3.36Å
525V28.4Very low28.2Very low119 Ų119132.3 Ų132.372%0.72178%0.775SS**  trans-33146169169.90000114.1S523 T527S523-V525 PolarHBondContact O-N 2.99Å; V525-T527 HydrophobicContact CG1-CG2 4.36Å; V525-T527 PolarHBondContact O-N 2.69Å
526L26.3Very low28Very low155 Ų155129 Ų12981%0.81277%0.767SS**  trans-67.7118.5162.4-85.774.6000109.5
527T28.3Very low28.2Very low125 Ų125131.3 Ų131.377%0.76777%0.772SS**  trans-12999.415052.90000106.8V525 D529V525-T527 HydrophobicContact CG1-CG2 4.36Å; V525-T527 PolarHBondContact O-N 2.69Å; T527-D529 PolarHBondContact O-N 3.14Å
528D25.3Very low28.1Very low149 Ų149128.6 Ų128.680%0.79777%0.767SS**  trans-76.298.1163.1-84.7-57.8000107.2
529D25.9Very low28Very low148 Ų148132 Ų13279%0.79176%0.764SS**  trans-161129.6157.9-100.9-35.8000109.9T527T527-D529 PolarHBondContact O-N 3.14Å
530D28.6Very low28.3Very low168 Ų168130 Ų13090%0.89876%0.764SS**  trans17185.6147.7-105.3-15.5000109.3G532D530-G532 PolarHBondContact O-N 3.25Å
531S26.3Very low28.4Very low119 Ų119130.1 Ų130.183%0.83277%0.765SS**  trans-77.5103.9168.253.40000111.1
532G25Very low28.7Very low66 Ų66131.6 Ų131.668%0.6877%0.773SS**  trans78.3137.4158.300000117.4D530D530-G532 PolarHBondContact O-N 3.25Å
533L28Very low28.8Very low169 Ų169135.4 Ų135.489%0.88578%0.78SS**  trans-163.8135.2135.4-133.174.1000109.3
534E25.4Very low29.3Very low154 Ų154141.1 Ų141.172%0.7279%0.793SS**  trans-99.1142.1168.7-63.2-173.9116.500109.8
535V32.2Very low29.1Very low134 Ų134143.8 Ų143.881%0.81279%0.792SS**  trans-145.8123.4160.1-170.80000108.8
536N28.5Very low29.1Very low139 Ų139146.9 Ų146.974%0.74380%0.795SS**  trans-77158173.5-70.2-55.5000111.2
537D34.5Very low29.4Very low145 Ų145146.3 Ų146.378%0.77579%0.788SS**  176.1147.5100-123.2-39.6000117.6
538C27.1Very low29.6Very low119 Ų119147.8 Ų147.880%0.80479%0.787SS**  trans50.6149.6148.1-85.20000124.9
539Q30.1Very low29.9Very low137 Ų137148 Ų14864%0.6479%0.787SS**  trans-120.5162.4-178.5-55.8-179.5-94.400112.7R757Q539-R757 VanDerWaalsContact OE1-NH2 3.14Å
540S30.9Very low30.2Very low115 Ų115146.5 Ų146.580%0.80479%0.785SS**  trans163.6170137.754.80000108.8
541V30.1Very low30.3Very low118 Ų118145 Ų14572%0.71578%0.782SS**  cis-145.3144.39.7-175.80000108.2
542L33.7Very low30.8Very low166 Ų166145.2 Ų145.287%0.86978%0.781SS**  161.8143.5127.5-105.1105000114.2
543Q30.9Very low31.1Very low181 Ų181149.8 Ų149.885%0.84679%0.789SS**  trans-131.5154.4169.4-73.8180-3600110.1
544K34.6Very low31Very low210 Ų210146.2 Ų146.291%0.91378%0.778SS**  trans154.7144.9148.6-90.8164.4-178.7-179.30109.2
545K30.6Very low31.4Very low184 Ų184148.7 Ų148.780%0.878%0.782SS**  cis-149.2163.9-5.7-167.7-169.7174.1-157.40107.5
546K29.7Very low31.4Very low183 Ų183149.1 Ų149.180%0.79678%0.78SS**  trans-130.3150.6-172.2-165-167.4-175.1-164.80112.2
547Q33Very low31.1Very low143 Ų143148.1 Ų148.167%0.66878%0.783SS**  trans-171.9118.9159.4-99.5160.5-56.400105.8
548E31.8Very low31.2Very low157 Ų157149.6 Ų149.673%0.73479%0.789SS**  76.2137.379.5-71.4165.1-174.700112.5
549L30.8Very low31.4Very low154 Ų154150.4 Ų150.481%0.80679%0.786SS**  cis-141.4-138.224.2-160.369.9000113.9
550P32.6Very low31.4Very low115 Ų115150.6 Ų150.675%0.74779%0.787SS**  -110.5-167.2-120.741.5-27.3000119.8
551T31.8Very low31.5Very low137 Ų137153.8 Ų153.884%0.8479%0.786SS**  trans-89.2175.5-164.729.90000117.7
552P35.5Very low31.7Very low123 Ų123156.3 Ų156.380%0.79979%0.79SS**  trans-108.3-171.5-152.243.9-39.3000117.3
553L31.9Very low31.9Very low163 Ų163154.5 Ų154.585%0.85379%0.788SS**  trans-119.2163175-99.2156.4000112.1
554S25.8Very low32.1Very low93 Ų93153 Ų15365%0.6579%0.786SS**  trans-134.4153.2-173.255.20000112.5
555Y32.6Very low32.2Very low207 Ų207148.4 Ų148.481%0.81278%0.778SS**  trans-151.9109.6160.7-88.2-65.5000113.7
556D33.3Very low32.5Very low143 Ų143146.3 Ų146.377%0.76578%0.78SS**  trans42.2157.8132.4-53.4-29.3000125.2
557C22.9Very low32.6Very low118 Ų118142.2 Ų142.280%0.79777%0.774SS**  trans-116.7161.1-174.2-55.30000112.7
558L35.4Very low32.5Very low175 Ų175142.2 Ų142.292%0.91677%0.774SS**  trans-141.5151.7157-77.2179.8000111.7
559N31.5Very low32.6Very low137 Ų137142 Ų14273%0.73377%0.771SS**  trans-89.6-172.3179.7-54.3-10.3000110.7
560E30.4Very low32.6Very low141 Ų141141.7 Ų141.766%0.65977%0.766SS**  cis-169.3176.114.3-149.5162.8-108.100112.8
561K33.4Very low32.7Very low181 Ų181142 Ų14279%0.78776%0.761SS**  trans91.7123.9153.7-70.7163-172.4169.70121.6
562E33.1Very low32.7Very low171 Ų171143.1 Ų143.180%0.79976%0.757SS**  trans-89.5178.1158.7-57.2178.3126.400111
563P39Very low32.4Very low129 Ų129142.8 Ų142.884%0.83876%0.757SS**  -145-174.9101.438.4-22.1000116.5
564N34.2Very low32.5Very low150 Ų150139 Ų13980%0.80275%0.749SS**  trans-80.4168.7-161.3-89.6-59.5000118.4
565P37.5Very low32.8Very low112 Ų112141.9 Ų141.973%0.72776%0.758SS**  trans-101.6167.1-173.840.2-36.5000116
566V35.4Very low32.9Very low140 Ų140139.5 Ų139.585%0.84875%0.753SS**  trans-141.7158.3171-179.60000111.1
567S33Very low32.8Very low97 Ų97140.6 Ų140.668%0.67875%0.751SS**  trans-76-175179.263.80000113.6
568E31.5Very low33.1Very low143 Ų143140.8 Ų140.867%0.66875%0.749SS**  cis-165.5170.6-1.7-141.4176.6-14800109.1
569K33.1Very low32.8Very low152 Ų152140.2 Ų140.266%0.66174%0.741SS**  trans63.9164.6155.8-69.9-169.6173.289.20118.9
570E31.8Very low32.5Very low149 Ų149143.5 Ų143.570%0.69675%0.745SS**  cis-156.2171.2-41.6-119.1165.516000109.4
571D32.9Very low32.5Very low122 Ų122146.7 Ų146.765%0.65276%0.757SS**  trans65.7112.7155.3-75.8-20.9000125.9
572Q33.2Very low32.2Very low160 Ų160146.9 Ų146.975%0.74876%0.758SS**  63.8109.2118-63.1-179.362.500123.4
573S27.9Very low32.2Very low115 Ų115145.9 Ų145.980%0.80475%0.753SS**  49.5117118.3-1660000121.7
574A35.1Very low31.7Very low84 Ų84150.6 Ų150.669%0.69475%0.754SS**  -176.5132.4108.800000115
575N32.5Very low31.6Very low154 Ų154151.8 Ų151.882%0.82475%0.752SS**  trans50.1140.6143.3-70.2-28.3000125.4
576H34.5Very low31.2Very low156 Ų156150.1 Ų150.172%0.72276%0.755SS**  trans96.198.9141-96.3-24.5000123.3
577K29.6Very low31Very low167 Ų167152.6 Ų152.673%0.72676%0.757SS**  79.4123.5121.5-105179.9-174.3173.80121.1
578T29.7Very low31.1Very low121 Ų121153.7 Ų153.774%0.74276%0.76SS**  trans79.7126.9146.220.50000121.6
579E28.8Very low31.1Very low163 Ų163152.9 Ų152.976%0.76277%0.767SS**  trans79139.1148-74.2-166.7100.600123.6
580Y25.7Very low31.4Very low206 Ų206153.4 Ų153.481%0.80878%0.775SS**  trans26.594.9159.8-70.5-85.7000120.5
581K30.5Very low32.1Very low209 Ų209149.7 Ų149.791%0.90976%0.76SS**  -159.5164.2105.3-117169.3-176.7171.90114.9
582K27.6Very low32.6Very low185 Ų185148.2 Ų148.280%0.80476%0.76SS**  trans-12686.5-169.8179-172.6-175.91770108.9
583E32.8Very low33.8Very low150 Ų150144.8 Ų144.870%0.70175%0.747SS**  trans-101.6128.7172-73-144144.200111.7K585E583-K585 IonicContact OE1-NZ 3.19Å; E583-K585 IonicContact OE2-NZ 3.37Å; E583-K585 PolarHBondContact OE2-NZ 3.02Å
584R28.3Very low35.3Very low227 Ų227144.5 Ų144.586%0.85773%0.729SS**  trans-100.4122.1164.8-66.1176.4178.5162.9-5.5108.4
585K33.2Very low36.3Very low176 Ų176146.6 Ų146.677%0.76572%0.724SS**  trans-142.9122.6164.3-71.6174.3179.8141.80107.8E583E583-K585 IonicContact OE1-NZ 3.19Å; E583-K585 IonicContact OE2-NZ 3.37Å; E583-K585 PolarHBondContact OE2-NZ 3.02Å
586G28.6Very low37.8Very low76 Ų76142.5 Ų142.578%0.78470%0.702SS**  cis-151.2129.5-12.600000109.7
587E31.5Very low39.5Very low192 Ų192140.5 Ų140.590%0.89769%0.688SS**  trans-108.7108.5-177.9-169.1167.2-146.700107.8P589E587-P589 WeakPolarHBondContact O-CD 3.48Å
588T33.9Very low41.5Very low120 Ų120136 Ų13674%0.73667%0.674SS**  trans-74.7121.2-175.534.10000110.6I590T588-I590 PolarHBondContact O-N 2.94Å
589P31.9Very low43.3Very low126 Ų126133.4 Ų133.482%0.81866%0.655SS**  trans-76.299.2-174.929.8-34000110.8E587 D591E587-P589 WeakPolarHBondContact O-CD 3.48Å; P589-D591 VanDerWaalsContact C-N 3.29Å; P589-D591 PolarHBondContact O-N 2.81Å
590I40.3Very low45.6Very low163 Ų163129.6 Ų129.684%0.83664%0.637SS**  trans-77.386.2172.1-58-177.1000109.2T588 S592T588-I590 PolarHBondContact O-N 2.94Å; I590-S592 PolarHBondContact O-N 3.41Å
591D45Very low47.8Very low71 Ų71125.4 Ų125.438%0.3863%0.625SS.*  trans1.992.8167.4-165.7-0.3000117.1P589 D593 Y594 R597P589-D591 VanDerWaalsContact C-N 3.29Å; P589-D591 PolarHBondContact O-N 2.81Å; D591-D593 PolarHBondContact O-N 3.38Å; D591-D593 VanDerWaalsContact OD1-CA 3.26Å; D591-D593 WeakPolarHBondContact OD1-CA 3.37Å; D591-D593 WeakPolarHBondContact OD1-CB 3.12Å; D591-D593 PolarHBondContact OD1-N 3.37Å; D591-Y594 PolarHBondContact O-N 3.31Å; D591-Y594 PolarHBondContact OD1-N 2.94Å; D591-Y594 WeakPolarHBondContact OD2-CB 3.27Å; D591-Y594 PolarHBondContact OD2-N 3.35Å; D591-R597 IonicContact OD1-NH2 2.89Å; D591-R597 PolarHBondContact OD1-NH2 3.14Å; D591-R597 IonicContact OD2-NH2 2.71Å; D591-R597 PolarHBondContact OD2-NH2 3.33Å
592S44.1Very low49.4Very low92 Ų92121.1 Ų121.164%0.64361%0.607SS**Hα-helixtrans-67.7-24.7168.855.30000113I590 Y594 Q595 N596I590-S592 PolarHBondContact O-N 3.41Å; S592-Y594 VanDerWaalsContact C-N 3.34Å; S592-Q595 WeakPolarHBondContact O-CB 3.48Å; S592-Q595 PolarHBondContact O-N 3.47Å; S592-N596 PolarHBondContact O-N 2.86Å; S592-N596 VanDerWaalsContact O-N 3.12Å
593D58.3Low51.7Low87 Ų87117.3 Ų117.347%0.46559%0.59SS.*Hα-helixtrans-75.6-25.2179.2-169.525.1000110.4D591 R597D591-D593 PolarHBondContact O-N 3.38Å; D591-D593 VanDerWaalsContact OD1-CA 3.26Å; D591-D593 WeakPolarHBondContact OD1-CA 3.37Å; D591-D593 WeakPolarHBondContact OD1-CB 3.12Å; D591-D593 PolarHBondContact OD1-N 3.37Å; D593-R597 VanDerWaalsContact O-CB 3.3Å; D593-R597 WeakPolarHBondContact O-CB 3.37Å; D593-R597 VanDerWaalsContact O-CG 3.26Å; D593-R597 WeakPolarHBondContact O-CG 3.49Å; D593-R597 PolarHBondContact O-N 3.19Å; D593-R597 PolarHBondContact O-NE 2.9Å; D593-R597 IonicContact OD1-CZ 3.23Å; D593-R597 IonicContact OD1-NH1 2.74Å; D593-R597 PolarHBondContact OD1-NH1 3.1Å; D593-R597 IonicContact OD2-CZ 3.14Å; D593-R597 IonicContact OD2-NH1 3.48Å; D593-R597 PolarHBondContact OD2-NH1 3.36Å; D593-R597 IonicContact OD2-NH2 3.8Å; D593-R597 PolarHBondContact OD2-NH2 2.98Å
594Y59.1Low53.6Low110 Ų110116.1 Ų116.143%0.43158%0.584SS.*Hα-helixtrans-65-44.9165-173.8-98.2000112.6D591 S592 N596 R597 V598D591-Y594 PolarHBondContact O-N 3.31Å; D591-Y594 PolarHBondContact OD1-N 2.94Å; D591-Y594 WeakPolarHBondContact OD2-CB 3.27Å; D591-Y594 PolarHBondContact OD2-N 3.35Å; S592-Y594 VanDerWaalsContact C-N 3.34Å; Y594-N596 VanDerWaalsContact C-N 3.31Å; Y594-N596 PolarHBondContact O-N 3.32Å; Y594-R597 PolarHBondContact O-N 2.89Å; Y594-V598 HydrophobicContact CD1-CG2 4.09Å; Y594-V598 HydrophobicContact CE1-CG2 3.72Å; Y594-V598 HydrophobicContact CE2-CG2 4.26Å; Y594-V598 WeakPolarHBondContact O-CG2 3.41Å; Y594-V598 PolarHBondContact O-N 3.38Å
595Q56.7Low55.1Low128 Ų128113.8 Ų113.860%0.59858%0.576SS**Hα-helixtrans-58.3-45.6175.3-73.3-75.5-60.600110.7S592 V598 M599S592-Q595 WeakPolarHBondContact O-CB 3.48Å; S592-Q595 PolarHBondContact O-N 3.47Å; Q595-V598 PolarHBondContact O-N 2.92Å; Q595-M599 WeakPolarHBondContact O-CB 3.38Å; Q595-M599 PolarHBondContact O-N 3.14Å
596N64.8Low56.2Low67 Ų67110.5 Ų110.536%0.35856%0.564SS.*Hα-helixtrans-67-43.5178.1-78.56000112.5E468 S592 Y594 V598 M599 E600E468-N596 PolarHBondContact OE1-ND2 3.39Å; S592-N596 PolarHBondContact O-N 2.86Å; S592-N596 VanDerWaalsContact O-N 3.12Å; Y594-N596 VanDerWaalsContact C-N 3.31Å; Y594-N596 PolarHBondContact O-N 3.32Å; N596-V598 PolarHBondContact O-N 3.23Å; N596-M599 PolarHBondContact O-N 3.43Å; N596-E600 PolarHBondContact O-N 2.97Å
597R70.3Confident58.1Low114 Ų114109.7 Ų109.743%0.4355%0.55SS.*Hα-helixtrans-55.1-45.8172.3-82.4-178-82.7-90.20.7112.7D591 D593 Y594 E600 Q601D591-R597 IonicContact OD1-NH2 2.89Å; D591-R597 PolarHBondContact OD1-NH2 3.14Å; D591-R597 IonicContact OD2-NH2 2.71Å; D591-R597 PolarHBondContact OD2-NH2 3.33Å; D593-R597 VanDerWaalsContact O-CB 3.3Å; D593-R597 WeakPolarHBondContact O-CB 3.37Å; D593-R597 VanDerWaalsContact O-CG 3.26Å; D593-R597 WeakPolarHBondContact O-CG 3.49Å; D593-R597 PolarHBondContact O-N 3.19Å; D593-R597 PolarHBondContact O-NE 2.9Å; D593-R597 IonicContact OD1-CZ 3.23Å; D593-R597 IonicContact OD1-NH1 2.74Å; D593-R597 PolarHBondContact OD1-NH1 3.1Å; D593-R597 IonicContact OD2-CZ 3.14Å; D593-R597 IonicContact OD2-NH1 3.48Å; D593-R597 PolarHBondContact OD2-NH1 3.36Å; D593-R597 IonicContact OD2-NH2 3.8Å; D593-R597 PolarHBondContact OD2-NH2 2.98Å; Y594-R597 PolarHBondContact O-N 2.89Å; R597-E600 PolarHBondContact O-N 3.13Å; R597-Q601 PolarHBondContact O-N 3.23Å
598V71.3Confident59.6Low72 Ų72104 Ų10444%0.43654%0.536SS..Hα-helixtrans-67.2-39.8178.6171.10000111.1Y594 Q595 N596 Q601 F602Y594-V598 HydrophobicContact CD1-CG2 4.09Å; Y594-V598 HydrophobicContact CE1-CG2 3.72Å; Y594-V598 HydrophobicContact CE2-CG2 4.26Å; Y594-V598 WeakPolarHBondContact O-CG2 3.41Å; Y594-V598 PolarHBondContact O-N 3.38Å; Q595-V598 PolarHBondContact O-N 2.92Å; N596-V598 PolarHBondContact O-N 3.23Å; V598-Q601 PolarHBondContact O-N 2.96Å; V598-F602 PolarHBondContact O-N 3.17Å
599M67.5Low60.4Low68 Ų68104.9 Ų104.934%0.33554%0.535SS..Hα-helixtrans-65.8-40.4176.9-162.463.463.400112.1Q595 N596 F602 K603Q595-M599 WeakPolarHBondContact O-CB 3.38Å; Q595-M599 PolarHBondContact O-N 3.14Å; N596-M599 PolarHBondContact O-N 3.43Å; M599-F602 WeakPolarHBondContact O-CB 3.24Å; M599-F602 PolarHBondContact O-N 3.04Å; M599-K603 WeakPolarHBondContact O-CG 3.39Å; M599-K603 PolarHBondContact O-N 3.47Å
600E75.5Confident61Low83 Ų83100.8 Ų100.839%0.38852%0.516SS..Hα-helixtrans-67.7-42.4175.1-78.4-54.2139.100112.7N596 R597 F602 K603 Q604N596-E600 PolarHBondContact O-N 2.97Å; R597-E600 PolarHBondContact O-N 3.13Å; E600-F602 PolarHBondContact O-N 3.43Å; E600-K603 PolarHBondContact O-N 2.97Å; E600-K603 VanDerWaalsContact OE1-CD 3.3Å; E600-K603 WeakPolarHBondContact OE1-CD 3.38Å; E600-K603 WeakPolarHBondContact OE1-CE 3.22Å; E600-K603 IonicContact OE1-NZ 3.87Å; E600-K603 PolarHBondContact OE1-NZ 2.84Å; E600-Q604 WeakPolarHBondContact O-CB 3.33Å; E600-Q604 VanDerWaalsContact O-CG 3.31Å; E600-Q604 WeakPolarHBondContact O-CG 3.45Å; E600-Q604 PolarHBondContact O-N 2.91Å
601Q72.2Confident61.1Low117 Ų117100.3 Ų100.355%0.54752%0.516SS..Hα-helixtrans-60.2-33.8172.1-74.8-161.59.700112.2R597 V598 R605R597-Q601 PolarHBondContact O-N 3.23Å; V598-Q601 PolarHBondContact O-N 2.96Å; Q601-R605 WeakPolarHBondContact O-CB 3.31Å; Q601-R605 WeakPolarHBondContact O-CG 3.07Å; Q601-R605 PolarHBondContact O-N 3.1Å
602F65Low60.7Low120 Ų120105.6 Ų105.653%0.52654%0.538SS..Hα-helixtrans-68.4-46.1173.2-171.9-96.9000112.1V598 M599 E600 Q604 R605 M606V598-F602 PolarHBondContact O-N 3.17Å; M599-F602 WeakPolarHBondContact O-CB 3.24Å; M599-F602 PolarHBondContact O-N 3.04Å; E600-F602 PolarHBondContact O-N 3.43Å; F602-Q604 PolarHBondContact O-N 3.32Å; F602-R605 PolarHBondContact O-N 3.33Å; F602-M606 HydrophobicContact CD1-CG 4.08Å; F602-M606 HydrophobicContact CE1-CG 3.68Å; F602-M606 HydrophobicContact CE1-SD 4.44Å; F602-M606 HydrophobicContact CE2-CG 4.37Å; F602-M606 HydrophobicContact CZ-CG 3.84Å; F602-M606 HydrophobicContact CZ-SD 4.06Å; F602-M606 WeakPolarHBondContact O-CB 3.04Å; F602-M606 VanDerWaalsContact O-CG 3.3Å; F602-M606 WeakPolarHBondContact O-CG 3.22Å; F602-M606 PolarHBondContact O-N 3.35Å
603K74.6Confident60.1Low105 Ų105110 Ų11046%0.45755%0.545SS..Hα-helixtrans-57.6-47.3174.2-71178.5-161.9166.80111.3M599 E600 M606 A607M599-K603 WeakPolarHBondContact O-CG 3.39Å; M599-K603 PolarHBondContact O-N 3.47Å; E600-K603 PolarHBondContact O-N 2.97Å; E600-K603 VanDerWaalsContact OE1-CD 3.3Å; E600-K603 WeakPolarHBondContact OE1-CD 3.38Å; E600-K603 WeakPolarHBondContact OE1-CE 3.22Å; E600-K603 IonicContact OE1-NZ 3.87Å; E600-K603 PolarHBondContact OE1-NZ 2.84Å; K603-M606 PolarHBondContact O-N 3.29Å; K603-A607 WeakPolarHBondContact O-CB 3.36Å; K603-A607 PolarHBondContact O-N 3.36Å
604Q73Confident59.1Low125 Ų125112.5 Ų112.558%0.58456%0.564SS**Hα-helixtrans-62.3-43.6179.3-70.6176.311.800112.3E600 F602 A607 A608E600-Q604 WeakPolarHBondContact O-CB 3.33Å; E600-Q604 VanDerWaalsContact O-CG 3.31Å; E600-Q604 WeakPolarHBondContact O-CG 3.45Å; E600-Q604 PolarHBondContact O-N 2.91Å; F602-Q604 PolarHBondContact O-N 3.32Å; Q604-A607 PolarHBondContact O-N 3.05Å; Q604-A608 WeakPolarHBondContact O-CB 3.11Å; Q604-A608 PolarHBondContact O-N 3.18Å
605R59.6Low57.8Low178 Ų178113.3 Ų113.367%0.67258%0.581SS**Hα-helixtrans-64.9-38.5174.9-75178.6176.4-173.20.7112.5Q601 F602 L609Q601-R605 WeakPolarHBondContact O-CB 3.31Å; Q601-R605 WeakPolarHBondContact O-CG 3.07Å; Q601-R605 PolarHBondContact O-N 3.1Å; F602-R605 PolarHBondContact O-N 3.33Å; R605-L609 WeakPolarHBondContact O-CG 3.36Å; R605-L609 PolarHBondContact O-N 3.2Å; R605-L609 VanDerWaalsContact O-N 3.1Å
606M58Low56.7Low107 Ų107112.9 Ų112.953%0.52759%0.589SS.*Hα-helixtrans-69.1-35.3175.2-70.4-64.2-68.400112.5F602 K603 L609 G610F602-M606 HydrophobicContact CD1-CG 4.08Å; F602-M606 HydrophobicContact CE1-CG 3.68Å; F602-M606 HydrophobicContact CE1-SD 4.44Å; F602-M606 HydrophobicContact CE2-CG 4.37Å; F602-M606 HydrophobicContact CZ-CG 3.84Å; F602-M606 HydrophobicContact CZ-SD 4.06Å; F602-M606 WeakPolarHBondContact O-CB 3.04Å; F602-M606 VanDerWaalsContact O-CG 3.3Å; F602-M606 WeakPolarHBondContact O-CG 3.22Å; F602-M606 PolarHBondContact O-N 3.35Å; K603-M606 PolarHBondContact O-N 3.29Å; M606-L609 PolarHBondContact O-N 2.99Å; M606-G610 PolarHBondContact O-N 2.85Å
607A67.2Low55.1Low59 Ų59120.6 Ų120.649%0.48861%0.613SS.*Hα-helixtrans-67.2-43.6173.500000112K603 Q604 L609 G610 N611K603-A607 WeakPolarHBondContact O-CB 3.36Å; K603-A607 PolarHBondContact O-N 3.36Å; Q604-A607 PolarHBondContact O-N 3.05Å; A607-L609 VanDerWaalsContact C-N 3.3Å; A607-L609 PolarHBondContact O-N 2.86Å; A607-G610 PolarHBondContact O-N 2.68Å; A607-N611 PolarHBondContact O-N 3.4Å
608A62.5Low53.2Low73 Ų73121.5 Ų121.560%0.60363%0.631SS**Hα-helixtrans-60.2-37.9175.100000112.5Q604 G610Q604-A608 WeakPolarHBondContact O-CB 3.11Å; Q604-A608 PolarHBondContact O-N 3.18Å; A608-G610 VanDerWaalsContact C-N 3.34Å
609L51.1Low51.4Low137 Ų137123.6 Ų123.672%0.71764%0.644SS**Hα-helixtrans-75.3-19.4173.3-69.6169.2000113.5R605 M606 A607R605-L609 WeakPolarHBondContact O-CG 3.36Å; R605-L609 PolarHBondContact O-N 3.2Å; R605-L609 VanDerWaalsContact O-N 3.1Å; M606-L609 PolarHBondContact O-N 2.99Å; A607-L609 VanDerWaalsContact C-N 3.3Å; A607-L609 PolarHBondContact O-N 2.86Å
610G44.6Very low49.7Very low41 Ų41127.8 Ų127.842%0.42367%0.668SS.*Hα-helixtrans-73.4-29.917900000114.4M606 A607 A608 Q612M606-G610 PolarHBondContact O-N 2.85Å; A607-G610 PolarHBondContact O-N 2.68Å; A608-G610 VanDerWaalsContact C-N 3.34Å; G610-Q612 VanDerWaalsContact C-N 3.33Å; G610-Q612 PolarHBondContact O-N 2.94Å
611N43.2Very low47.5Very low153 Ų153132.5 Ų132.582%0.81869%0.689SS**THydrogen-bonded Turntrans-84.35.6-173.2-80-7.4000115.3A607A607-N611 PolarHBondContact O-N 3.4Å
612Q36Very low45.6Very low182 Ų182132.7 Ų132.785%0.8570%0.699SS**  trans-101.163.5168-69-165.20.300112.3G610G610-Q612 VanDerWaalsContact C-N 3.33Å; G610-Q612 PolarHBondContact O-N 2.94Å
613K32.8Very low44.1Very low184 Ų184136.2 Ų136.280%0.871%0.714SS**  trans-106.299.1164.9-82.7-176.9176.9173.50110.7
614T36.8Very low42.1Very low139 Ų139137 Ų13785%0.85373%0.727SS**  trans-66.8131.1165400000110.2P616T614-P616 WeakPolarHBondContact O-CD 3.4Å
615T31.6Very low40.2Very low128 Ų128137.5 Ų137.579%0.78573%0.734SS**  trans-85120.3-174.445.60000112.5R617T615-R617 PolarHBondContact O-N 2.89Å
616P33.7Very low38.9Very low118 Ų118136.4 Ų136.477%0.76674%0.741SS**  trans-85.498164.632.9-28.9000109.1T614 V618T614-P616 WeakPolarHBondContact O-CD 3.4Å; P616-V618 PolarHBondContact O-N 3.46Å
617R30.4Very low37.7Very low230 Ų230136.9 Ų136.987%0.86875%0.752SS**  trans-80.5108178.4-157178.1-161.9175.15.2109.9T615T615-R617 PolarHBondContact O-N 2.89Å
618V30.2Very low36.3Very low132 Ų132139.7 Ų139.780%0.877%0.765SS**  trans-84.6133.6166.9179.90000108.2P616P616-V618 PolarHBondContact O-N 3.46Å
619T34.7Very low34.8Very low116 Ų116141.9 Ų141.971%0.71278%0.776SS**  trans-142.2134.1167.5320000108.4
620D30.6Very low33.7Very low157 Ų157142.9 Ų142.984%0.8478%0.783SS**  trans-75.2156.7-171.7-123.3-48.2000113.3
621H29Very low33.4Very low181 Ų181149.6 Ų149.684%0.83880%0.803SS**  trans-90.8116.4172.6-86.2-78.2000110.6
622T34.3Very low32.9Very low122 Ų122146.8 Ų146.875%0.74880%0.795SS**  trans-155.7124.8152.9-7.70000114.6
623K31.8Very low32.6Very low194 Ų194145 Ų14584%0.84379%0.791SS**  trans72.8130.1145.6-87.7176.1-179.3-176.60122.3
624V33.4Very low32.5Very low121 Ų121142.3 Ų142.373%0.73378%0.784SS**  trans86.286.3151.5-175.30000118.9
625N32Very low32.4Very low135 Ų135144 Ų14472%0.72278%0.78SS**  31.2108.5119.1-48.54000119.3
626N32.6Very low32.1Very low155 Ų155143.4 Ų143.483%0.82978%0.779SS**  169.2127.2106.9-85.9-14.4000112.7
627P33.7Very low31.9Very low117 Ų117146.2 Ų146.276%0.7678%0.78SS**  trans-106.9-169.7163.542.5-34000110.6
628P36.8Very low31.8Very low118 Ų118143 Ų14377%0.76678%0.775SS**  cis-125.1174.4-28.537-23.2000112.6
629S32.5Very low31.7Very low119 Ų119140.7 Ų140.783%0.83277%0.769SS**  trans-169.2144.3141.457.60000114.9
630N27.7Very low31.4Very low159 Ų159141.9 Ų141.985%0.8577%0.772SS**  trans-64.9150.1-179.6-51.4-46.4000115.6
631Q36.6Very low31.2Very low182 Ų182141 Ų14185%0.8577%0.767SS**  trans-161.9118136.1-102.6173.921.400106.8
632S32.6Very low31.3Very low93 Ų93140.4 Ų140.465%0.6576%0.764SS**  62.3137.490.975.60000114.3
633L31.1Very low31.1Very low146 Ų146139.1 Ų139.176%0.76476%0.76SS**  cis-158.3167.317.4-153.476.1000111.3
634L30.8Very low31Very low126 Ų126140.7 Ų140.766%0.6676%0.76SS**  trans1.8158.2149.9-81.444.9000120.7
635K33.5Very low31Very low176 Ų176141.8 Ų141.877%0.76576%0.761SS**  cis-168.3166.230.2-132156.9-175.5174.30112.6
636C26.5Very low31Very low114 Ų114140.8 Ų140.877%0.7776%0.76SS**  trans34.9137.6160.9-600000122.2
637K28.2Very low31.1Very low178 Ų178140.6 Ų140.677%0.77476%0.759SS**  cis83.5126.537.7-91.7-170162-163.40117.8
638Q28.8Very low31.1Very low162 Ų162141.5 Ų141.576%0.75776%0.757SS**  trans80.9106.7147.2-75.4172.9-107.500122.7
639A27.6Very low31.1Very low84 Ų84141.5 Ų141.569%0.69476%0.755SS**  87.1152.1114.400000123.1
640N28.7Very low31.3Very low141 Ų141139.9 Ų139.975%0.75474%0.744SS**  trans73.7109.5158.7-66.7-1.3000122.2
641N27.3Very low31.6Very low139 Ų139139 Ų13974%0.74374%0.739SS**  61.8159.4123.9-62.5-2.4000123.7
642H30.9Very low31.5Very low167 Ų167138.6 Ų138.677%0.77374%0.735SS**  trans82.795.2158.2-78.1-68.9000122.3
643S29.3Very low31.5Very low95 Ų95138 Ų13866%0.66473%0.731SS**  82.6154.8111.8-64.30000123.1
644R30.4Very low31.5Very low227 Ų227139.2 Ų139.286%0.85773%0.733SS**  trans73.7147.6158-80.5178.6175.3-168.5-2.4116.9
645L33Very low31.4Very low144 Ų144137.9 Ų137.975%0.75473%0.734SS**  cis-132.3131.9-3.8-79.5108.2000107.8
646T31.9Very low31.3Very low114 Ų114135.5 Ų135.570%0.69973%0.734SS**  60.6123.473.264.80000117.6
647L35.1Very low31.3Very low152 Ų152135.3 Ų135.380%0.79673%0.734SS**  trans-172.7118136.2-101.9167000112.5
648N34.7Very low31.4Very low135 Ų135131.4 Ų131.472%0.72273%0.729SS**  trans52.4150.5141.2-65.411.5000122.1
649T35.6Very low31.4Very low119 Ų119133.6 Ų133.673%0.7374%0.736SS**  cis-176164.1-424.20000107.2
650S36.2Very low31.6Very low85 Ų85133.4 Ų133.459%0.59474%0.742SS**  cis-180165-2351.50000109.5
651N35.3Very low31.5Very low140 Ų140133.1 Ų133.175%0.74975%0.746SS**  trans72147.5166.4-57.1-8000116.8
652F33.9Very low31.8Very low173 Ų173134.2 Ų134.276%0.75975%0.747SS**  cis-146141.9-1.2-122.8-147.1000107.7
653S32.1Very low31.8Very low81 Ų81132.2 Ų132.257%0.56674%0.741SS**  49.8139.296.8-7.70000115.4
654E32.2Very low32Very low172 Ų172133.5 Ų133.580%0.80475%0.745SS**  cis-156.3152.813.6-116.1152.3-174.700109.4
655S28.7Very low32Very low98 Ų98127.7 Ų127.769%0.68574%0.735SS**  56.7144.394.5103.80000116.5
656T31.7Very low32.1Very low126 Ų126127.5 Ų127.577%0.77374%0.735SS**  cis-152.2151.5943.90000114.5
657S26.4Very low32.3Very low110 Ų110128.4 Ų128.477%0.76974%0.736SS**  trans29.9133.5131.5-159.10000123.6
658S30.5Very low32.2Very low96 Ų96125.6 Ų125.667%0.67173%0.725SS**  147.1128110.2-166.90000116.6
659K27.3Very low32.2Very low207 Ų207127 Ų12790%0.973%0.727SS**  trans23.4133.3149.1-59.4177.4179179.90122.2
660G31.4Very low32Very low80 Ų80126.5 Ų126.583%0.82572%0.72SS**  trans-168.8107.4155.200000111.7
661T28.2Very low31.8Very low135 Ų135131.4 Ų131.483%0.82873%0.727SS**  trans-109.9149.5179.1420000111
662E33.3Very low31.5Very low163 Ų163131.5 Ų131.576%0.76273%0.727SS**  170.3138.4121.7-90-171.1167.400112.7
663N29.7Very low31.2Very low124 Ų124127.1 Ų127.166%0.66372%0.723SS**  43.9145.7127.8-46.4-25.1000120.4
664T35Very low31.1Very low122 Ų122131.6 Ų131.675%0.74874%0.735SS**  cis-139.2136.515.838.20000109.5
665T30.3Very low31Very low105 Ų105129.1 Ų129.164%0.64473%0.731SS**  71.2136.163.865.80000117.2
666N34.8Very low31Very low140 Ų140130.4 Ų130.475%0.74974%0.735SS**  trans79.9142.5168.1-53.8-12.5000116.1
667N36.3Very low30.8Very low133 Ų133129.1 Ų129.171%0.71173%0.727SS**  cis-148.4164.7-0.1-116.9-5.1000114.6
668T31.6Very low31Very low94 Ų94134.1 Ų134.158%0.57773%0.73SS**  trans-35.4172.8161.261.20000117.5
669H36.2Very low30.9Very low164 Ų164134.8 Ų134.876%0.75974%0.735SS**  cis-143.8-159.415.3-84.7-72.1000109.8
670N30.5Very low31.1Very low108 Ų108129.5 Ų129.558%0.57873%0.73SS**  179.1165.5-64.8-161.682.8000108.4
671Y32.9Very low31Very low189 Ų189131.2 Ų131.274%0.74172%0.72SS**  trans69.6160.7174.6-53.7-72.4000116
672D28.9Very low31.3Very low141 Ų141129.8 Ų129.875%0.75472%0.716SS**  cis-170.3165.5-35.6-102.68.2000108.6
673A27.9Very low31.1Very low81 Ų81129.6 Ų129.667%0.66971%0.712SS**  cis-162-85.1-22.500000112.2
674H28.4Very low31.3Very low176 Ų176128.7 Ų128.782%0.81571%0.713SS**  trans-109.6163.4179.8-72.2-109.5000110.5
675T31.7Very low31.2Very low119 Ų119132.2 Ų132.273%0.7372%0.721SS**  175122.680.4-71.70000112.4
676T27.9Very low31Very low125 Ų125136.8 Ų136.877%0.76773%0.732SS**  trans29.7163.3145.170.50000124.6
677V27.6Very low30.7Very low99 Ų99136.3 Ų136.360%0.674%0.739SS**  cis-170.8176.5-16.9148.20000106.4
678Y30.6Very low30.4Very low216 Ų216141.7 Ų141.785%0.84775%0.749SS**  trans84.6119.2174-56.3-69.1000115.4
679S27.5Very low30.3Very low109 Ų109140.3 Ų140.376%0.76275%0.754SS**  cis88.1100.921.2-172.80000116.7
680A33.4Very low30Very low97 Ų97139.5 Ų139.580%0.80276%0.755SS**  trans-148.5156151.700000111.3
681N28.9Very low29.9Very low116 Ų116141.2 Ų141.262%0.6276%0.763SS**  trans-86161170.4-70.1-92000108.5R797N681-R797 PolarHBondContact OD1-NH1 3.41Å
682S33.6Very low29.9Very low105 Ų105139.2 Ų139.273%0.73477%0.765SS**  -175.4150.355.349.10000113.9
683K29Very low29.7Very low159 Ų159138.4 Ų138.469%0.69177%0.769SS**  trans36.5150.7143.3-80.5-168.5165.8-169.30123.8
684P33.4Very low29.8Very low105 Ų105140.8 Ų140.868%0.68278%0.779SS**  trans-90.4165.3-174.838.4-37.7000114
685Q33.1Very low29.8Very low196 Ų196140 Ų14092%0.91678%0.781SS**  trans-142.1133.4168.9-149.81689.500112.3
686F26Very low29.8Very low200 Ų200140.2 Ų140.288%0.87779%0.787SS**  trans-74.7146.6171.4-117.5-107000110
687C30.3Very low29.8Very low130 Ų130140.2 Ų140.288%0.87879%0.787SS**  trans-148.8147.5154.4-1230000111.8
688R28.2Very low30.1Very low246 Ų246144.5 Ų144.593%0.92880%0.801SS**  trans-102.8146.8174.6-79.2174.8165173.7-5.6109.7
689G29.9Very low30Very low66 Ų66141.6 Ų141.668%0.6880%0.799SS**  113144.7127.200000118.8
690N29.7Very low30.2Very low146 Ų146143.6 Ų143.678%0.78180%0.801SS**  trans76136.4148.8-66.311000120.7
691I28.8Very low30.1Very low145 Ų145143.4 Ų143.474%0.74479%0.79SS**  trans73124.9146.2-68.7164.9000114.6
692D34.2Very low30.3Very low146 Ų146144.6 Ų144.678%0.78180%0.797SS**  cis-145171.411-121.1-19.1000113.7
693C24Very low30Very low124 Ų124146.1 Ų146.184%0.83880%0.796SS**  trans-116143.2167.2-68.70000110.2
694C30.7Very low30.2Very low132 Ų132147.4 Ų147.489%0.89280%0.804SS**  trans-152.3151.5161.2-140.90000112.3
695N26.9Very low30Very low158 Ų158148.5 Ų148.585%0.84581%0.809SS**  trans-94.2154.8-176.1-61.7-40.9000111.9
696S32.6Very low30Very low124 Ų124144.4 Ų144.487%0.86780%0.8SS**  trans-154.2150.1137.449.70000111.1
697T27.7Very low30.2Very low125 Ų125143.5 Ų143.577%0.76780%0.8SS**  trans-134.8132.2-174.447.70000109.9
698E33Very low30Very low189 Ų189147.9 Ų147.988%0.88380%0.8SS**  trans179123.5152.2-99148.7-169.900105.1
699L28.9Very low30.3Very low155 Ų155142.6 Ų142.681%0.81280%0.795SS**  69.497.250.8-165.584.6000112.7
700D32.2Very low30.4Very low151 Ų151145.8 Ų145.881%0.80780%0.796SS**  trans-148.2171138.3-144.3-24000110.9
701T30.4Very low30.3Very low93 Ų93145.8 Ų145.857%0.57180%0.796SS**  trans-134.5177-158.752.50000113.2
702N33Very low30.5Very low141 Ų141144.7 Ų144.775%0.75480%0.802SS**  trans80.6155.2172.5-50.2-67000116.2
703L28.8Very low30.3Very low137 Ų137142.9 Ų142.972%0.71780%0.8SS**  cis-175.3125.8-28.3172.274.3000106.8
704Q33.4Very low30.5Very low186 Ų186142.1 Ų142.187%0.86979%0.793SS**  trans167.5135.2141.5-93.2153.44.200114.2
705T29.4Very low30.4Very low128 Ų128142.7 Ų142.779%0.78579%0.786SS**  trans-85.5162160.553.50000109.3
706P32.1Very low30.5Very low111 Ų111146.9 Ų146.972%0.72179%0.79SS**  -163.4-179.170.946.1-24.2000120.1
707M30.2Very low30.4Very low180 Ų180149.5 Ų149.589%0.88779%0.786SS**  trans82.6149.7147.3-68.3-108.6-77.800122.2
708Y25.9Very low30.6Very low223 Ų223149 Ų14988%0.87579%0.788SS**  trans-102.2151.3-175-75.7-115.4000112.2
709V34.1Very low30.3Very low134 Ų134151.2 Ų151.281%0.81279%0.788SS**  trans-150.2122.3136.61740000111.5
710N31.8Very low30.5Very low134 Ų134148.3 Ų148.372%0.71778%0.778SS**  trans31.7131.3150.5-57.4-9.9000124.8
711N29.2Very low30.3Very low146 Ų146149.6 Ų149.678%0.78178%0.782SS**  trans59.990132.9-60.1-6.8000121.2
712S32.3Very low30.3Very low122 Ų122151 Ų15185%0.85379%0.794SS**  -172.4151110.638.20000113.9
713S29.7Very low30.1Very low107 Ų107150.2 Ų150.275%0.74880%0.798SS**  trans-39.9125.5-170.8-50.50000117.9I715S713-I715 PolarHBondContact O-N 3.36Å; S713-I715 VanDerWaalsContact O-N 3.16Å
714P28.8Very low30.1Very low108 Ų108152 Ų15270%0.70181%0.808SS**  trans-78.1101.2179.730.8-34.5000113W716P714-W716 PolarHBondContact O-N 3.47Å
715I28.3Very low29.9Very low144 Ų144146.4 Ų146.474%0.73880%0.801SS**  trans-79.7102.2168.8-60.1178.1000109.3S713 K717S713-I715 PolarHBondContact O-N 3.36Å; S713-I715 VanDerWaalsContact O-N 3.16Å; I715-K717 HydrophobicContact CG2-CG 4.49Å; I715-K717 PolarHBondContact O-N 3.25Å
716W28.8Very low29.9Very low246 Ų246148 Ų14893%0.93280%0.803SS**  trans-64.595.7177.7-7384000112.4P714P714-W716 PolarHBondContact O-N 3.47Å
717K30.8Very low29.7Very low180 Ų180148.9 Ų148.978%0.78381%0.806SS**  trans-114.297.4164.6-81.5-175.8177.3175.50110.2I715 R719I715-K717 HydrophobicContact CG2-CG 4.49Å; I715-K717 PolarHBondContact O-N 3.25Å; K717-R719 PolarHBondContact O-N 3.4Å; K717-R719 VanDerWaalsContact O-N 3.13Å
718S32Very low29.5Very low115 Ų115145.6 Ų145.680%0.80480%0.801SS**  trans-59.5111.1173.157.50000111.3
719R26.4Very low29.6Very low234 Ų234139.3 Ų139.388%0.88380%0.795SS**PPolyproline II helixtrans-88138.6161.6-65.1-173.9-179.4-161.53.5108.9K717K717-R719 PolarHBondContact O-N 3.4Å; K717-R719 VanDerWaalsContact O-N 3.13Å
720P32.6Very low29.3Very low94 Ų94138.6 Ų138.661%0.6179%0.793SS**PPolyproline II helixtrans-71.1149.4158.732.3-32.4000109.6
721M27.8Very low29Very low178 Ų178139 Ų13988%0.87781%0.805SS**PPolyproline II helixtrans-78.9147.4171.2-70.516761.100110.7
722C30.5Very low28.8Very low122 Ų122136.2 Ų136.282%0.82480%0.797SS**  trans-131.9140.2155.2-63.10000106.7
723C29.8Very low28.5Very low125 Ų125137.7 Ų137.785%0.84580%0.8SS**  trans-70.3153-177.7-59.20000111.8
724D29.3Very low28.3Very low174 Ų174142.9 Ų142.993%0.9380%0.803SS**  trans-65.7147.3-174.2-70.3-75.8000114.4
725G28Very low28.1Very low69 Ų69142.7 Ų142.771%0.71181%0.805SS**  trans173.282.2179.700000114
726I29.8Very low28Very low162 Ų162146.6 Ų146.683%0.83181%0.812SS**SBendtrans69.892.4162.5-50.1177.4000116.8
727V27.5Very low27.9Very low130 Ų130143.3 Ų143.379%0.78881%0.807SS**  trans58.9117.7131.2-178.10000120.7
728S27.3Very low27.8Very low111 Ų111140.1 Ų140.178%0.77681%0.806SS**  trans103.8127.9143.374.80000121.9
729A27.9Very low27.6Very low91 Ų91139.2 Ų139.275%0.75280%0.8SS**  trans71.4133.6155.600000120.2
730P26.9Very low27.8Very low119 Ų119135.6 Ų135.677%0.77380%0.798SS**  trans-79.2151.8174.433.6-35.1000112.1S732P730-S732 PolarHBondContact O-N 2.96Å
731C24.7Very low27.7Very low143 Ų143140.1 Ų140.197%0.96680%0.803SS**  trans-70.870.3172.6-73.20000112.6
732S25.9Very low27.8Very low87 Ų87140.8 Ų140.861%0.60880%0.796SS**  trans-71.5150.1157.7-178.30000109.9P730 R734P730-S732 PolarHBondContact O-N 2.96Å; S732-R734 PolarHBondContact O-N 3.43Å
733V26.6Very low27.9Very low152 Ų152141.7 Ų141.792%0.92179%0.79SS**  trans-72.589.5176.3-177.30000108.9
734R24.1Very low28.1Very low216 Ų216143 Ų14382%0.81578%0.784SS**  trans-119.6130.3175-88-173.7166.5176.9-3.6112.2S732 Y736S732-R734 PolarHBondContact O-N 3.43Å; R734-Y736 PolarHBondContact O-N 3.09Å
735S24.9Very low28.4Very low104 Ų104139.4 Ų139.473%0.72776%0.762SS**  trans-65.2123.1172.350.20000111.2Q737S735-Q737 PolarHBondContact O-N 2.81Å; S735-Q737 VanDerWaalsContact O-N 3.16Å
736Y26.1Very low28.6Very low227 Ų227140.3 Ų140.389%0.8976%0.756SS**  trans-72.8104.9166.3-89.3-93.2000110.1R734 C738R734-Y736 PolarHBondContact O-N 3.09Å; Y736-C738 PolarHBondContact O-N 3.16Å
737Q26.3Very low28.7Very low176 Ų176139.5 Ų139.582%0.82275%0.751SS**  trans-74.4105.9165.4-69.7173.4-70.600108.9S735 S739S735-Q737 PolarHBondContact O-N 2.81Å; S735-Q737 VanDerWaalsContact O-N 3.16Å; Q737-S739 VanDerWaalsContact C-N 3.33Å; Q737-S739 PolarHBondContact O-N 2.95Å
738C28.9Very low29.2Very low113 Ų113137.7 Ų137.776%0.76474%0.744SS**  trans-71.190.5165.8-74.10000109.7Y736Y736-C738 PolarHBondContact O-N 3.16Å
739S27.9Very low29.5Very low97 Ų97139.7 Ų139.768%0.67874%0.741SS**  trans-67.7136.4171.6-173.20000111.3Q737 R741Q737-S739 VanDerWaalsContact C-N 3.33Å; Q737-S739 PolarHBondContact O-N 2.95Å; S739-R741 PolarHBondContact O-N 2.85Å
740N30.6Very low29.9Very low158 Ų158143.9 Ų143.985%0.84575%0.745SS**SBendtrans4551.9161.6-73-8.5000118.3
741R31.9Very low30.4Very low189 Ų189144.7 Ų144.771%0.71375%0.748SS**  trans-130.1149.4151.9-72.6-171.3177.7-116.24.3111.3S739 E745S739-R741 PolarHBondContact O-N 2.85Å; R741-E745 IonicContact NH1-OE2 3.98Å; R741-E745 PolarHBondContact NH1-OE2 2.65Å; R741-E745 VanDerWaalsContact NH1-OE2 3.14Å
742R30Very low30.9Very low192 Ų192142.2 Ų142.273%0.72573%0.731SS**  trans-68.5138.9-177.7-63.5-176.7-173.8178.34.3109.7E744 E745R742-E744 PolarHBondContact O-N 3.2Å; R742-E745 PolarHBondContact O-N 3.3Å
743I31.1Very low31.4Very low140 Ų140141.6 Ų141.672%0.71872%0.723SS**Hα-helixtrans-53.8-29.2-176.9-69.7163000112.4
744E34.3Very low31.9Very low153 Ų153140.3 Ų140.372%0.71571%0.71SS**Hα-helixtrans-66.5-32.5179.1-59.7177.7139.800113.4R742 M747R742-E744 PolarHBondContact O-N 3.2Å; E744-M747 PolarHBondContact O-N 3.14Å
745E36.6Very low32.4Very low98 Ų98134.3 Ų134.346%0.45870%0.7SS.*Hα-helixtrans-69.3-41.1179-66.3-173.5174.100111.8R741 R742 M747 S748R741-E745 IonicContact NH1-OE2 3.98Å; R741-E745 PolarHBondContact NH1-OE2 2.65Å; R741-E745 VanDerWaalsContact NH1-OE2 3.14Å; R742-E745 PolarHBondContact O-N 3.3Å; E745-M747 PolarHBondContact O-N 3.34Å; E745-S748 WeakPolarHBondContact O-CB 3.47Å; E745-S748 PolarHBondContact O-N 2.75Å; E745-S748 PolarHBondContact O-OG 2.88Å
746C31.8Very low33Very low88 Ų88135 Ų13560%0.59569%0.693SS**Hα-helixtrans-69.7-16-179.2-75.30000114.1S748C746-S748 VanDerWaalsContact C-N 3.28Å; C746-S748 PolarHBondContact O-N 2.76Å
747M32.1Very low33.5Very low146 Ų146129.8 Ų129.872%0.71967%0.672SS**THydrogen-bonded Turntrans-84.31.4176.9-64.6-155.6-62.100113.9E744 E745E744-M747 PolarHBondContact O-N 3.14Å; E745-M747 PolarHBondContact O-N 3.34Å
748S36.7Very low34.4Very low92 Ų92128 Ų12864%0.64366%0.663SS**THydrogen-bonded Turntrans-74.2-20.8178.260.40000114.7E745 C746E745-S748 WeakPolarHBondContact O-CB 3.47Å; E745-S748 PolarHBondContact O-N 2.75Å; E745-S748 PolarHBondContact O-OG 2.88Å; C746-S748 VanDerWaalsContact C-N 3.28Å; C746-S748 PolarHBondContact O-N 2.76Å
749Q35Very low35Very low152 Ų152128.9 Ų128.971%0.7166%0.656SS**  trans-103.1101.5-177.2-65.4-171.5-3.500112.1V751Q749-V751 PolarHBondContact O-N 3.02Å; Q749-V751 VanDerWaalsContact O-N 3.08Å
750Q35.8Very low35.7Very low179 Ų179129.1 Ų129.184%0.83665%0.647SS**G310 helixtrans-65.6-12.4-173.1-67.9-175.9-27.100115.6C752Q750-C752 PolarHBondContact O-N 3.49Å
751V37.8Very low36.4Very low137 Ų137128.2 Ų128.283%0.8364%0.638SS**G310 helixtrans-70.4-29.7-165.4-168.40000113.9Q749Q749-V751 PolarHBondContact O-N 3.02Å; Q749-V751 VanDerWaalsContact O-N 3.08Å
752C35.2Very low36.9Very low90 Ų90125.3 Ų125.361%0.60863%0.632SS**G310 helixtrans-89.8-12.5-164.8-151.10000115.5Q750 I754Q750-C752 PolarHBondContact O-N 3.49Å; C752-I754 PolarHBondContact O-N 2.95Å
753V35.4Very low37.4Very low74 Ų74121.6 Ų121.645%0.44862%0.623SS.*Hα-helixtrans-76.6-18.2-164.4-176.60000114.2
754I37.7Very low37.6Very low126 Ų126119.6 Ų119.665%0.64661%0.613SS**Hα-helixtrans-85.6-42.2-172.8-65170.6000112.4C752C752-I754 PolarHBondContact O-N 2.95Å
755C34.5Very low37.7Very low90 Ų90116 Ų11661%0.60861%0.605SS**Hα-helixtrans-65.5-47.8179.8-73.60000112.6R757 Q758 Q759C755-R757 PolarHBondContact O-N 2.84Å; C755-Q758 PolarHBondContact O-N 3.38Å; C755-Q758 VanDerWaalsContact O-N 3.09Å; C755-Q759 PolarHBondContact O-N 2.99Å
756M36.5Very low37.7Very low118 Ų118116.7 Ų116.758%0.58161%0.612SS**Hα-helixtrans-52.9-41.6179.8-72.6-73.7-130.900112.3Q758 Q759 Q760M756-Q758 VanDerWaalsContact C-N 3.33Å; M756-Q758 PolarHBondContact O-N 3.36Å; M756-Q759 PolarHBondContact O-N 3.15Å; M756-Q760 WeakPolarHBondContact O-CB 3.3Å; M756-Q760 PolarHBondContact O-N 3.06Å
757R38Very low38Very low118 Ų118116.9 Ų116.945%0.44561%0.611SS.*Hα-helixtrans-69.8-24.8-177.8-78.2174.4168.8173.8-7.5114.4Q539 C755 Q761Q539-R757 VanDerWaalsContact OE1-NH2 3.14Å; C755-R757 PolarHBondContact O-N 2.84Å; R757-Q761 WeakPolarHBondContact O-CG 3.36Å; R757-Q761 PolarHBondContact O-N 3.43Å
758Q44.4Very low38.1Very low137 Ų137117 Ų11764%0.6461%0.614SS**Hα-helixtrans-77.4-40.2173.8-69.9-169.4-4.200111.4C755 M756 Q762C755-Q758 PolarHBondContact O-N 3.38Å; C755-Q758 VanDerWaalsContact O-N 3.09Å; M756-Q758 VanDerWaalsContact C-N 3.33Å; M756-Q758 PolarHBondContact O-N 3.36Å; Q758-Q762 PolarHBondContact O-N 2.87Å
759Q42.5Very low37.9Very low132 Ų132121.2 Ų121.262%0.61762%0.623SS**Hα-helixtrans-63.6-44172.7-74.1-177.9-38.100111.8C755 M756 Q761 Q762 Q763C755-Q759 PolarHBondContact O-N 2.99Å; M756-Q759 PolarHBondContact O-N 3.15Å; Q759-Q761 PolarHBondContact O-N 3.29Å; Q759-Q762 WeakPolarHBondContact O-CB 3.45Å; Q759-Q762 PolarHBondContact O-N 3.02Å; Q759-Q762 VanDerWaalsContact O-N 3.15Å; Q759-Q763 PolarHBondContact O-N 3.02Å
760Q42.7Very low37.6Very low102 Ų102118.6 Ų118.648%0.47762%0.622SS.*Hα-helixtrans-59.4-45178.1-155.279.257.100112.1M756 Q762 Q763 D764M756-Q760 WeakPolarHBondContact O-CB 3.3Å; M756-Q760 PolarHBondContact O-N 3.06Å; Q760-Q762 VanDerWaalsContact C-N 3.27Å; Q760-Q762 PolarHBondContact O-N 3.42Å; Q760-Q763 PolarHBondContact O-N 3.35Å; Q760-D764 WeakPolarHBondContact O-CB 3.31Å; Q760-D764 PolarHBondContact O-N 3.07Å
761Q44.8Very low37.4Very low140 Ų140115.1 Ų115.165%0.65462%0.617SS**Hα-helixtrans-69.8-23.2178.8-73.1-178.86.100113.7R757 Q759 S765R757-Q761 WeakPolarHBondContact O-CG 3.36Å; R757-Q761 PolarHBondContact O-N 3.43Å; Q759-Q761 PolarHBondContact O-N 3.29Å; Q761-S765 PolarHBondContact O-OG 2.58Å
762Q42.3Very low37.1Very low128 Ų128113 Ų11360%0.59861%0.608SS**Hα-helixtrans-72.3-53.5170.3-146.977.524.900109.8Q758 Q759 Q760 D764 S765 D766Q758-Q762 PolarHBondContact O-N 2.87Å; Q759-Q762 WeakPolarHBondContact O-CB 3.45Å; Q759-Q762 PolarHBondContact O-N 3.02Å; Q759-Q762 VanDerWaalsContact O-N 3.15Å; Q760-Q762 VanDerWaalsContact C-N 3.27Å; Q760-Q762 PolarHBondContact O-N 3.42Å; Q762-D764 PolarHBondContact O-N 3.38Å; Q762-S765 WeakPolarHBondContact O-CA 3.31Å; Q762-S765 WeakPolarHBondContact O-CB 3.25Å; Q762-S765 PolarHBondContact O-N 3.21Å; Q762-D766 PolarHBondContact O-N 2.92Å
763Q39.9Very low37Very low114 Ų114114 Ų11453%0.53362%0.616SS.*Hα-helixtrans-61.6-40178.4-83.4179.2-54.100113.5Q759 Q760 S765 D766 T767Q759-Q763 PolarHBondContact O-N 3.02Å; Q760-Q763 PolarHBondContact O-N 3.35Å; Q763-S765 PolarHBondContact O-N 2.94Å; Q763-D766 PolarHBondContact O-N 3.22Å; Q763-T767 VanDerWaalsContact O-CB 3.24Å; Q763-T767 WeakPolarHBondContact O-CB 3.49Å; Q763-T767 PolarHBondContact O-N 3Å; Q763-T767 PolarHBondContact O-OG1 2.92Å
764D36.6Very low36.8Very low97 Ų97120.5 Ų120.552%0.51964%0.639SS.*Hα-helixtrans-67.1-17.8176.1-67.7-19000112.5Q760 Q762Q760-D764 WeakPolarHBondContact O-CB 3.31Å; Q760-D764 PolarHBondContact O-N 3.07Å; Q762-D764 PolarHBondContact O-N 3.38Å
765S36.5Very low36.4Very low78 Ų78117.5 Ų117.555%0.54564%0.639SS.*Hα-helixtrans-84.8-41.7171.4-57.80000111.8Q761 Q762 Q763Q761-S765 PolarHBondContact O-OG 2.58Å; Q762-S765 WeakPolarHBondContact O-CA 3.31Å; Q762-S765 WeakPolarHBondContact O-CB 3.25Å; Q762-S765 PolarHBondContact O-N 3.21Å; Q763-S765 PolarHBondContact O-N 2.94Å
766D36.5Very low36.1Very low112 Ų112120.8 Ų120.860%0.59965%0.65SS**Hα-helixtrans-82.2-24-175.1-61.9-32.8000112.9Q762 Q763 L768Q762-D766 PolarHBondContact O-N 2.92Å; Q763-D766 PolarHBondContact O-N 3.22Å; D766-L768 VanDerWaalsContact C-N 3.29Å; D766-L768 PolarHBondContact O-N 2.85Å
767T36.7Very low35.8Very low92 Ų92123.6 Ų123.656%0.56466%0.66SS**THydrogen-bonded Turntrans-82.6-2.8-179.4-45.90000113.2Q763 S770Q763-T767 VanDerWaalsContact O-CB 3.24Å; Q763-T767 WeakPolarHBondContact O-CB 3.49Å; Q763-T767 PolarHBondContact O-N 3Å; Q763-T767 PolarHBondContact O-OG1 2.92Å; T767-S770 PolarHBondContact O-OG 2.84Å
768L33.8Very low35.4Very low149 Ų149122.1 Ų122.178%0.7868%0.681SS**THydrogen-bonded Turntrans-965.3176.8-105.8164.7000114.1D766D766-L768 VanDerWaalsContact C-N 3.29Å; D766-L768 PolarHBondContact O-N 2.85Å
769Q32.6Very low34.8Very low181 Ų181118.2 Ų118.285%0.84668%0.678SS**SBendtrans-131.847.9173.7-62.8-160.7-98.800112.8
770S29.3Very low34.3Very low97 Ų97117.9 Ų117.968%0.67869%0.687SS**  trans-103.667.2-176.7470000113.8T767T767-S770 PolarHBondContact O-OG 2.84Å
771S31.1Very low33.7Very low106 Ų106119.3 Ų119.374%0.74170%0.702SS**  trans-147.8146.4157.958.60000111.2
772S33Very low33.2Very low92 Ų92117.3 Ų117.364%0.64370%0.7SS**SBendtrans60.983.7-177.553.30000118.2
773S32.5Very low32.6Very low110 Ų110116.2 Ų116.277%0.76971%0.705SS**  trans66.1120.7131.9-118.30000124.1
774F30.4Very low32.2Very low212 Ų212117.9 Ų117.993%0.9372%0.718SS**  trans61.7132.1135.3-101.3-97.4000122.6
775G30.1Very low32.2Very low63 Ų63118.6 Ų118.665%0.64972%0.718SS**  trans136.892.315500000116.8F777G775-F777 PolarHBondContact O-N 3.13Å
776D28.3Very low31.9Very low159 Ų159124.1 Ų124.185%0.8573%0.732SS**  trans-26.5118.9175.4-77.9-48.4000118.4
777F29.8Very low31.5Very low176 Ų176124.4 Ų124.477%0.77274%0.741SS**  trans-146.960.8157.3-88.4-69.3000113.6T267 G775T267-F777 HydrophobicContact CG2-CE1 4.02Å; G775-F777 PolarHBondContact O-N 3.13Å
778G29.4Very low31.2Very low87 Ų87127.1 Ų127.190%0.89775%0.751SS**  trans-78.7114.2168.100000112.4
779G32.4Very low30.7Very low55 Ų55126 Ų12657%0.56776%0.755SS**  trans-142.2137.217200000111.1V781G779-V781 PolarHBondContact O-N 2.67Å
780P32.1Very low30.4Very low126 Ų126125.4 Ų125.482%0.81875%0.746SS**  trans-68128.3-16625.5-34.3000113.1V782P780-V782 PolarHBondContact O-N 3.43Å
781V29.8Very low30.2Very low131 Ų131125.9 Ų125.979%0.79475%0.749SS**  trans-80.6110.4169.71790000108.5G779 C783G779-V781 PolarHBondContact O-N 2.67Å; V781-C783 PolarHBondContact O-N 3.21Å
782V33.2Very low30.1Very low99 Ų99126.7 Ų126.760%0.674%0.741SS**  trans-78.3114.6174.8-179.60000109.4A184 P780A184-V782 HydrophobicContact CB-CG1 4.19Å; P780-V782 PolarHBondContact O-N 3.43Å
783C30.8Very low29.9Very low105 Ų105129.5 Ų129.571%0.70975%0.749SS**  trans-71.2142.3170.6-64.40000111V781V781-C783 PolarHBondContact O-N 3.21Å
784D32.2Very low29.8Very low149 Ų149132.4 Ų132.480%0.79775%0.748SS**  trans-79.9129.5-179.1-151.7-13.1000109.8K786D784-K786 VanDerWaalsContact C-N 3.31Å; D784-K786 PolarHBondContact O-N 3.27Å
785E35.7Very low29.8Very low111 Ų111126.5 Ų126.552%0.51973%0.726SS.*SBendtrans-75.270.9-167.5-62.2-168.2160.900113.6R937E785-R937 IonicContact OE1-CZ 2.65Å; E785-R937 IonicContact OE1-NH1 2.87Å; E785-R937 PolarHBondContact OE1-NH1 3.09Å; E785-R937 IonicContact OE2-CZ 2.58Å; E785-R937 IonicContact OE2-NH1 3.91Å; E785-R937 PolarHBondContact OE2-NH1 2.97Å
786K31.2Very low29.7Very low194 Ų194130.5 Ų130.584%0.84373%0.733SS**  trans-133.140.9174-77.7-149167.7-149.10114.4D784D784-K786 VanDerWaalsContact C-N 3.31Å; D784-K786 PolarHBondContact O-N 3.27Å
787C26.5Very low29.8Very low118 Ų118127.9 Ų127.980%0.79771%0.711SS**  trans-89.298.6157.1-62.80000108.6
788L30.4Very low29.8Very low149 Ų149128.8 Ų128.878%0.7872%0.715SS**  trans-82.6109.5166.9-90.9159.7000108.2Y790L788-Y790 PolarHBondContact O-N 2.65Å; L788-Y790 VanDerWaalsContact O-N 3.1Å
789C24.7Very low29.7Very low126 Ų126130.7 Ų130.785%0.85171%0.709SS**  trans-77.389.6167.9-63.60000108.4S791C789-S791 PolarHBondContact O-N 2.78Å
790Y25Very low29.6Very low169 Ų169133 Ų13366%0.66372%0.717SS**  trans-82.597.4174.7-155.7-83.2000109.2L788 Q792L788-Y790 PolarHBondContact O-N 2.65Å; L788-Y790 VanDerWaalsContact O-N 3.1Å; Y790-Q792 HydrophobicContact CD1-CB 3.92Å; Y790-Q792 HydrophobicContact CE1-CB 3.84Å; Y790-Q792 HydrophobicContact CE1-CG 4.04Å
791S25.8Very low29.6Very low106 Ų106133.8 Ų133.874%0.74171%0.713SS**  trans-83113.1170.9-164.20000108.4C789C789-S791 PolarHBondContact O-N 2.78Å
792Q29.9Very low29.8Very low123 Ų123135.2 Ų135.258%0.57572%0.716SS**  trans-123.5104.1175-158.7169.13400109.2Y790 F794Y790-Q792 HydrophobicContact CD1-CB 3.92Å; Y790-Q792 HydrophobicContact CE1-CB 3.84Å; Y790-Q792 HydrophobicContact CE1-CG 4.04Å; Q792-F794 HydrophobicContact CG-CD2 4.17Å; Q792-F794 HydrophobicContact CG-CE2 4.32Å; Q792-F794 PolarHBondContact O-N 3.02Å
793D26.9Very low30.2Very low151 Ų151136.2 Ų136.281%0.80772%0.717SS**  trans-63.2125.1172.5-62.9-70.7000109.9
794F30.4Very low31Very low171 Ų171135.1 Ų135.175%0.7571%0.711SS**  trans-127.499.4173.7-113.6-88000109.8Q792 N796Q792-F794 HydrophobicContact CG-CD2 4.17Å; Q792-F794 HydrophobicContact CG-CE2 4.32Å; Q792-F794 PolarHBondContact O-N 3.02Å; F794-N796 PolarHBondContact O-N 3.09Å
795D30.8Very low31.7Very low88 Ų88133.7 Ų133.747%0.47171%0.707SS.*  trans-63.4125.3177.8-179.27.2000110.3R797D795-R797 PolarHBondContact O-N 2.61Å; D795-R797 IonicContact OD1-CZ 2.85Å; D795-R797 IonicContact OD1-NE 3.62Å; D795-R797 IonicContact OD1-NH2 2.73Å; D795-R797 PolarHBondContact OD1-NH2 3.36Å; D795-R797 IonicContact OD2-NH2 3.22Å; D795-R797 PolarHBondContact OD2-NH2 3.18Å
796N27.6Very low32.2Very low148 Ų148130 Ų13079%0.79170%0.699SS**  trans-73.7107.3-178.6-92.3-61.1000111.2F794F794-N796 PolarHBondContact O-N 3.09Å
797R30.3Very low32.9Very low104 Ų104123 Ų12339%0.39268%0.677SS.*  trans-169.6112.8154.1-107.2153.3-65.2-135.33.2113.1N681 D795N681-R797 PolarHBondContact OD1-NH1 3.41Å; D795-R797 PolarHBondContact O-N 2.61Å; D795-R797 IonicContact OD1-CZ 2.85Å; D795-R797 IonicContact OD1-NE 3.62Å; D795-R797 IonicContact OD1-NH2 2.73Å; D795-R797 PolarHBondContact OD1-NH2 3.36Å; D795-R797 IonicContact OD2-NH2 3.22Å; D795-R797 PolarHBondContact OD2-NH2 3.18Å
798K29.7Very low33.9Very low194 Ų194125.1 Ų125.184%0.84367%0.668SS**  trans56.4133.9153.8-53.3-178.9179.4-178.30116.1
799T28.8Very low34.9Very low128 Ų128123 Ų12379%0.78566%0.657SS**  cis-154.7-177.118.9-22.80000110.2
800S29.7Very low36.2Very low103 Ų103123 Ų12372%0.7265%0.648SS**  trans-44.4161.4172.452.30000117.2
801L32.2Very low37.3Very low142 Ų142122.6 Ų122.674%0.74365%0.65SS**  trans8991150.9-155.877.4000117.2
802N33.1Very low38Very low161 Ų161125.6 Ų125.686%0.86165%0.646SS**  trans-172.359.2137-96.5-27.8000112.5S804N802-S804 PolarHBondContact O-N 2.93Å
803I43Very low39.2Very low120 Ų120123.4 Ų123.462%0.61564%0.641SS**  trans-72.6112.3164.5-65.5175000107.4V805 A807 R808I803-V805 PolarHBondContact O-N 3.17Å; I803-A807 HydrophobicContact CG2-CB 4.24Å; I803-R808 HydrophobicContact CG2-CG 4.35Å
804S47.6Very low40.2Very low83 Ų83123.7 Ų123.758%0.5864%0.638SS**  trans-44.4133.4-178.1174.30000112.8N802 G806 A807 R808N802-S804 PolarHBondContact O-N 2.93Å; S804-G806 PolarHBondContact O-N 3.46Å; S804-G806 VanDerWaalsContact O-N 3.12Å; S804-G806 PolarHBondContact OG-N 3.12Å; S804-A807 WeakPolarHBondContact O-CB 3.44Å; S804-A807 PolarHBondContact O-N 2.9Å; S804-R808 PolarHBondContact O-N 3.36Å
805V46.8Very low41.1Very low119 Ų119119.4 Ų119.472%0.72163%0.629SS**Hα-helixtrans-52.4-35.4176178.20000110.9I803 A807 R808 L809I803-V805 PolarHBondContact O-N 3.17Å; V805-A807 VanDerWaalsContact C-N 3.34Å; V805-A807 PolarHBondContact O-N 3.22Å; V805-R808 PolarHBondContact O-N 2.96Å; V805-L809 WeakPolarHBondContact O-CB 3.26Å; V805-L809 PolarHBondContact O-N 2.87Å
806G45.2Very low42Very low33 Ų33119.7 Ų119.734%0.3463%0.629SS.*Hα-helixtrans-62-34.8176.200000114.2S804 L809 L810S804-G806 PolarHBondContact O-N 3.46Å; S804-G806 VanDerWaalsContact O-N 3.12Å; S804-G806 PolarHBondContact OG-N 3.12Å; G806-L809 PolarHBondContact O-N 3.37Å; G806-L810 VanDerWaalsContact O-CG 3.31Å; G806-L810 WeakPolarHBondContact O-CG 3.38Å; G806-L810 PolarHBondContact O-N 3.01Å
807A47Very low42.7Very low46 Ų46122.6 Ų122.638%0.3864%0.635SS.*Hα-helixtrans-70.1-40.9176.900000111.5I803 S804 V805 L810 F811I803-A807 HydrophobicContact CG2-CB 4.24Å; S804-A807 WeakPolarHBondContact O-CB 3.44Å; S804-A807 PolarHBondContact O-N 2.9Å; V805-A807 VanDerWaalsContact C-N 3.34Å; V805-A807 PolarHBondContact O-N 3.22Å; A807-L810 PolarHBondContact O-N 2.68Å; A807-F811 PolarHBondContact O-N 3.46Å
808R47.7Very low43.6Very low164 Ų164123.6 Ų123.662%0.61965%0.647SS**Hα-helixtrans-66.7-38.7173-69.9-176.5173.4-173-2.5111.7I803 S804 V805 L810 F811 Y812I803-R808 HydrophobicContact CG2-CG 4.35Å; S804-R808 PolarHBondContact O-N 3.36Å; V805-R808 PolarHBondContact O-N 2.96Å; R808-L810 PolarHBondContact O-N 2.83Å; R808-F811 PolarHBondContact O-N 2.97Å; R808-Y812 PolarHBondContact O-N 3.46Å
809L51.3Low44.5Very low105 Ų105124.7 Ų124.755%0.5565%0.652SS.*Hα-helixtrans-64.5-37.9177.1-161.671.8000112V805 G806 F811 Y812 V813V805-L809 WeakPolarHBondContact O-CB 3.26Å; V805-L809 PolarHBondContact O-N 2.87Å; G806-L809 PolarHBondContact O-N 3.37Å; L809-F811 PolarHBondContact O-N 3.4Å; L809-Y812 PolarHBondContact O-N 3.12Å; L809-V813 HydrophobicContact CG-CG2 4.46Å; L809-V813 WeakPolarHBondContact O-CB 3.42Å; L809-V813 VanDerWaalsContact O-CG2 3.27Å; L809-V813 WeakPolarHBondContact O-CG2 3.4Å; L809-V813 PolarHBondContact O-N 2.89Å
810L51.5Low45.9Very low125 Ų125122.5 Ų122.565%0.65464%0.638SS**Hα-helixtrans-64.5-36.1176.2-76.8167.9000113.1G806 A807 R808G806-L810 VanDerWaalsContact O-CG 3.31Å; G806-L810 WeakPolarHBondContact O-CG 3.38Å; G806-L810 PolarHBondContact O-N 3.01Å; A807-L810 PolarHBondContact O-N 2.68Å; R808-L810 PolarHBondContact O-N 2.83Å
811F47.8Very low47.3Very low160 Ų160122.3 Ų122.370%0.70263%0.629SS**Hα-helixtrans-71-38.1169.7-87.1-84.5000112.3A807 R808 L809 Q814A807-F811 PolarHBondContact O-N 3.46Å; R808-F811 PolarHBondContact O-N 2.97Å; L809-F811 PolarHBondContact O-N 3.4Å; F811-Q814 PolarHBondContact O-N 2.87Å
812Y41.3Very low48.3Very low169 Ų169123.8 Ų123.866%0.66363%0.63SS**Hα-helixtrans-68.4-36.3179.3-149.4-90.6000112.6R808 L809 Q814 S815R808-Y812 PolarHBondContact O-N 3.46Å; L809-Y812 PolarHBondContact O-N 3.12Å; Y812-Q814 PolarHBondContact O-N 2.98Å; Y812-S815 WeakPolarHBondContact O-CB 3.17Å; Y812-S815 PolarHBondContact O-N 3.35Å; Y812-S815 PolarHBondContact O-OG 3.2Å
813V53.8Low50Low77 Ų77123.1 Ų123.147%0.46762%0.621SS.*Hα-helixtrans-63.3-24.1175.2166.60000112.3L809 S815 I816L809-V813 HydrophobicContact CG-CG2 4.46Å; L809-V813 WeakPolarHBondContact O-CB 3.42Å; L809-V813 VanDerWaalsContact O-CG2 3.27Å; L809-V813 WeakPolarHBondContact O-CG2 3.4Å; L809-V813 PolarHBondContact O-N 2.89Å; V813-S815 PolarHBondContact O-N 2.93Å; V813-I816 PolarHBondContact O-N 3.33Å
814Q49.1Very low51.1Low158 Ų158121 Ų12174%0.73862%0.617SS**THydrogen-bonded Turntrans-71.5-12.5173.8-70.8-178.2-38.900114.2F811 Y812F811-Q814 PolarHBondContact O-N 2.87Å; Y812-Q814 PolarHBondContact O-N 2.98Å
815S48.8Very low52.1Low81 Ų81121 Ų12157%0.56661%0.61SS**THydrogen-bonded Turntrans-86.8-19.7175.172.90000114Y812 V813 K817Y812-S815 WeakPolarHBondContact O-CB 3.17Å; Y812-S815 PolarHBondContact O-N 3.35Å; Y812-S815 PolarHBondContact O-OG 3.2Å; V813-S815 PolarHBondContact O-N 2.93Å; S815-K817 PolarHBondContact O-N 3.17Å
816I50.1Low53.2Low93 Ų93118.9 Ų118.948%0.47760%0.597SS.*SBendtrans-84.9116.2-173.7-49.2-179.2000110V813 L818V813-I816 PolarHBondContact O-N 3.33Å; I816-L818 HydrophobicContact CG2-CD1 4.45Å; I816-L818 HydrophobicContact CG2-CG 3.93Å; I816-L818 PolarHBondContact O-N 3.34Å
817K41.8Very low54.4Low210 Ų210122.1 Ų122.191%0.91360%0.603SS**  trans-72.553.8177.3-67.6-179.2179.51720113.6S815 K819S815-K817 PolarHBondContact O-N 3.17Å; K817-K819 PolarHBondContact O-N 2.95Å
818L48.3Very low55.5Low124 Ų124125.9 Ų125.965%0.64961%0.612SS**  trans-64.9125170.7-75168.8000110.2I816 V820I816-L818 HydrophobicContact CG2-CD1 4.45Å; I816-L818 HydrophobicContact CG2-CG 3.93Å; I816-L818 PolarHBondContact O-N 3.34Å; L818-V820 HydrophobicContact CB-CG2 3.74Å; L818-V820 PolarHBondContact O-N 3.46Å
819K50.1Low56.7Low217 Ų217122.3 Ų122.394%0.94361%0.609SS**  trans-71.659.2169.6-78.1-176.8172.5177.40111.1K817 N821K817-K819 PolarHBondContact O-N 2.95Å; K819-N821 PolarHBondContact O-N 3Å
820V56.7Low57.6Low82 Ų82123.7 Ų123.750%0.49761%0.61SS.*  trans-74.1127.8173.7-160.70000108.8L818 K822 I825L818-V820 HydrophobicContact CB-CG2 3.74Å; L818-V820 PolarHBondContact O-N 3.46Å; V820-K822 PolarHBondContact O-N 3.03Å; V820-I825 HydrophobicContact CB-CD1 4.03Å; V820-I825 HydrophobicContact CG1-CD1 3.65Å; V820-I825 HydrophobicContact CG1-CG1 3.96Å
821N59Low58.6Low100 Ų100122.2 Ų122.254%0.53560%0.599SS.*  trans-63.3111.3177.1-177-9.2000109.6K819 E823 S824 I825K819-N821 PolarHBondContact O-N 3Å; N821-E823 PolarHBondContact O-N 3.25Å; N821-E823 WeakPolarHBondContact OD1-CB 3.32Å; N821-E823 PolarHBondContact OD1-N 2.91Å; N821-S824 WeakPolarHBondContact O-CB 3.47Å; N821-S824 PolarHBondContact O-N 3.44Å; N821-S824 VanDerWaalsContact O-N 3.17Å; N821-I825 PolarHBondContact O-N 3.17Å
822K55.2Low59.6Low172 Ų172117 Ų11775%0.74858%0.58SS**Hα-helixtrans-56.9-33.2-176.9-70.2-179.1176.7178.30112.5V820 I825 V826V820-K822 PolarHBondContact O-N 3.03Å; K822-I825 PolarHBondContact O-N 2.83Å; K822-V826 VanDerWaalsContact O-CG2 3.31Å; K822-V826 WeakPolarHBondContact O-CG2 3.33Å; K822-V826 PolarHBondContact O-N 3.46Å
823E67.2Low60.8Low148 Ų148114.9 Ų114.969%0.69258%0.575SS**Hα-helixtrans-66.6-41.6-178.9-57.3-171.214400111.6N821 I825 V826 E827N821-E823 PolarHBondContact O-N 3.25Å; N821-E823 WeakPolarHBondContact OD1-CB 3.32Å; N821-E823 PolarHBondContact OD1-N 2.91Å; E823-I825 PolarHBondContact O-N 2.99Å; E823-V826 PolarHBondContact O-N 3.48Å; E823-E827 WeakPolarHBondContact O-CB 3.3Å; E823-E827 PolarHBondContact O-N 2.99Å
824S66.5Low61.5Low74 Ų74116.7 Ų116.752%0.51758%0.581SS.*Hα-helixtrans-61-45.5177.1-179.50000112N821 E827 H828N821-S824 WeakPolarHBondContact O-CB 3.47Å; N821-S824 PolarHBondContact O-N 3.44Å; N821-S824 VanDerWaalsContact O-N 3.17Å; S824-E827 PolarHBondContact O-N 3.25Å; S824-H828 WeakPolarHBondContact O-CB 3.21Å; S824-H828 PolarHBondContact O-N 3.25Å
825I69.1Low62.1Low84 Ų84116.3 Ų116.343%0.43157%0.572SS.*Hα-helixtrans-61.7-49.9175.7-59.9170.8000110.3V820 N821 K822 E823 E827 H828 V829V820-I825 HydrophobicContact CB-CD1 4.03Å; V820-I825 HydrophobicContact CG1-CD1 3.65Å; V820-I825 HydrophobicContact CG1-CG1 3.96Å; N821-I825 PolarHBondContact O-N 3.17Å; K822-I825 PolarHBondContact O-N 2.83Å; E823-I825 PolarHBondContact O-N 2.99Å; I825-E827 VanDerWaalsContact C-N 3.29Å; I825-E827 PolarHBondContact O-N 2.93Å; I825-H828 PolarHBondContact O-N 3.46Å; I825-V829 HydrophobicContact CG2-CG2 4.19Å; I825-V829 WeakPolarHBondContact O-CB 3.33Å; I825-V829 WeakPolarHBondContact O-CG2 3.4Å; I825-V829 PolarHBondContact O-N 3.13Å
826V69.3Low62.8Low74 Ų74121.4 Ų121.445%0.44858%0.579SS.*Hα-helixtrans-60.5-39.8-178.4168.10000111.3K822 E823 K830K822-V826 VanDerWaalsContact O-CG2 3.31Å; K822-V826 WeakPolarHBondContact O-CG2 3.33Å; K822-V826 PolarHBondContact O-N 3.46Å; E823-V826 PolarHBondContact O-N 3.48Å; V826-K830 HydrophobicContact CG1-CD 4.17Å; V826-K830 WeakPolarHBondContact O-CB 3.45Å; V826-K830 VanDerWaalsContact O-CG 3.29Å; V826-K830 WeakPolarHBondContact O-CG 3.3Å; V826-K830 PolarHBondContact O-N 2.78Å
827E70.5Confident63.3Low101 Ų101123 Ų12347%0.47258%0.583SS.*Hα-helixtrans-69.7-40.5177.4-152.4-139.5-172.500112.1E823 S824 I825 K830 K831E823-E827 WeakPolarHBondContact O-CB 3.3Å; E823-E827 PolarHBondContact O-N 2.99Å; S824-E827 PolarHBondContact O-N 3.25Å; I825-E827 VanDerWaalsContact C-N 3.29Å; I825-E827 PolarHBondContact O-N 2.93Å; E827-K830 PolarHBondContact O-N 3.08Å; E827-K831 HydrophobicContact CG-CD 4.48Å; E827-K831 WeakPolarHBondContact O-CB 3.32Å; E827-K831 WeakPolarHBondContact O-CG 3.36Å; E827-K831 PolarHBondContact O-N 3.43Å; E827-K831 WeakPolarHBondContact OE1-CE 3.41Å; E827-K831 IonicContact OE1-NZ 2.69Å; E827-K831 PolarHBondContact OE1-NZ 2.67Å; E827-K831 WeakPolarHBondContact OE2-CE 3.35Å; E827-K831 IonicContact OE2-NZ 2.64Å; E827-K831 PolarHBondContact OE2-NZ 3.47Å
828H71.1Confident64.3Low125 Ų125115.3 Ų115.358%0.57956%0.555SS**Hα-helixtrans-66.3-39.4176.6-152.6109.8000112.3S824 I825 K831 T832S824-H828 WeakPolarHBondContact O-CB 3.21Å; S824-H828 PolarHBondContact O-N 3.25Å; I825-H828 PolarHBondContact O-N 3.46Å; H828-K831 PolarHBondContact O-N 3.39Å; H828-T832 WeakPolarHBondContact O-CB 3.43Å; H828-T832 PolarHBondContact O-N 3.16Å; H828-T832 PolarHBondContact O-OG1 3.47Å
829V72.6Confident65Low90 Ų90116.4 Ų116.455%0.54556%0.555SS.*Hα-helixtrans-65.8-44.8174171.70000110.7I825 T832 F833I825-V829 HydrophobicContact CG2-CG2 4.19Å; I825-V829 WeakPolarHBondContact O-CB 3.33Å; I825-V829 WeakPolarHBondContact O-CG2 3.4Å; I825-V829 PolarHBondContact O-N 3.13Å; V829-T832 PolarHBondContact O-N 3.01Å; V829-F833 WeakPolarHBondContact O-CB 3.31Å; V829-F833 PolarHBondContact O-N 3.26Å
830K70.4Confident65.8Low133 Ų133111.9 Ų111.958%0.57854%0.536SS*.Hα-helixtrans-57.3-50.5172.9-79.3174177.2177.40111.6V826 E827 T832 F833 I834V826-K830 HydrophobicContact CG1-CD 4.17Å; V826-K830 WeakPolarHBondContact O-CB 3.45Å; V826-K830 VanDerWaalsContact O-CG 3.29Å; V826-K830 WeakPolarHBondContact O-CG 3.3Å; V826-K830 PolarHBondContact O-N 2.78Å; E827-K830 PolarHBondContact O-N 3.08Å; K830-T832 VanDerWaalsContact C-N 3.28Å; K830-T832 PolarHBondContact O-N 3.47Å; K830-F833 PolarHBondContact O-N 2.97Å; K830-I834 WeakPolarHBondContact O-CB 3.34Å; K830-I834 WeakPolarHBondContact O-CD1 3.43Å; K830-I834 VanDerWaalsContact O-CG1 3.27Å; K830-I834 WeakPolarHBondContact O-CG1 3.19Å; K830-I834 PolarHBondContact O-N 3.14Å
831K71.6Confident66.1Low94 Ų94115.1 Ų115.141%0.40954%0.544SS..Hα-helixtrans-57.1-40.2176.4-76.9170.7174.3169.30111.8E827 H828 R835E827-K831 HydrophobicContact CG-CD 4.48Å; E827-K831 WeakPolarHBondContact O-CB 3.32Å; E827-K831 WeakPolarHBondContact O-CG 3.36Å; E827-K831 PolarHBondContact O-N 3.43Å; E827-K831 WeakPolarHBondContact OE1-CE 3.41Å; E827-K831 IonicContact OE1-NZ 2.69Å; E827-K831 PolarHBondContact OE1-NZ 2.67Å; E827-K831 WeakPolarHBondContact OE2-CE 3.35Å; E827-K831 IonicContact OE2-NZ 2.64Å; E827-K831 PolarHBondContact OE2-NZ 3.47Å; H828-K831 PolarHBondContact O-N 3.39Å; K831-R835 WeakPolarHBondContact O-CB 3.47Å; K831-R835 VanDerWaalsContact O-CG 3.28Å; K831-R835 WeakPolarHBondContact O-CG 3.25Å; K831-R835 PolarHBondContact O-N 3.3Å
832T68.8Low66.4Low52 Ų52114.2 Ų114.232%0.31954%0.539SS..Hα-helixtrans-69.3-43.6177.9-58.90000112.7H828 V829 K830 R835 R836H828-T832 WeakPolarHBondContact O-CB 3.43Å; H828-T832 PolarHBondContact O-N 3.16Å; H828-T832 PolarHBondContact O-OG1 3.47Å; V829-T832 PolarHBondContact O-N 3.01Å; K830-T832 VanDerWaalsContact C-N 3.28Å; K830-T832 PolarHBondContact O-N 3.47Å; T832-R835 PolarHBondContact O-N 3.43Å; T832-R836 PolarHBondContact O-N 3.44Å
833F65.8Low67.1Low124 Ų124109.9 Ų109.954%0.54452%0.523SS..Hα-helixtrans-67.2-39.4177.9-169-111.4000112.1V829 K830 R836 K837V829-F833 WeakPolarHBondContact O-CB 3.31Å; V829-F833 PolarHBondContact O-N 3.26Å; K830-F833 PolarHBondContact O-N 2.97Å; F833-R836 PolarHBondContact O-N 3.34Å; F833-K837 HydrophobicContact CD1-CD 4.39Å; F833-K837 HydrophobicContact CE1-CD 3.91Å; F833-K837 VanDerWaalsContact CE1-CE 3.47Å; F833-K837 HydrophobicContact CE1-CG 4.49Å; F833-K837 HydrophobicContact CZ-CD 4.33Å; F833-K837 PolarHBondContact O-N 3.49Å
834I68.5Low67Low115 Ų115106 Ų10659%0.5951%0.505SS*.Hα-helixtrans-63.1-44.5172.8-68.2163.6000110.5K830 R836 K837 S838K830-I834 WeakPolarHBondContact O-CB 3.34Å; K830-I834 WeakPolarHBondContact O-CD1 3.43Å; K830-I834 VanDerWaalsContact O-CG1 3.27Å; K830-I834 WeakPolarHBondContact O-CG1 3.19Å; K830-I834 PolarHBondContact O-N 3.14Å; I834-R836 PolarHBondContact O-N 2.78Å; I834-K837 PolarHBondContact O-N 2.82Å; I834-S838 VanDerWaalsContact O-CB 3.31Å; I834-S838 WeakPolarHBondContact O-CB 3.37Å; I834-S838 PolarHBondContact O-N 3.28Å
835R62.9Low67Low150 Ų150106.4 Ų106.457%0.56650%0.495SS*.Hα-helixtrans-59.3-44173.2-79.1173.7172.2-174.9-3.3112.2K831 T832 S838 K839K831-R835 WeakPolarHBondContact O-CB 3.47Å; K831-R835 VanDerWaalsContact O-CG 3.28Å; K831-R835 WeakPolarHBondContact O-CG 3.25Å; K831-R835 PolarHBondContact O-N 3.3Å; T832-R835 PolarHBondContact O-N 3.43Å; R835-S838 PolarHBondContact O-N 3.07Å; R835-K839 WeakPolarHBondContact O-CB 3.44Å; R835-K839 PolarHBondContact O-N 3.48Å
836R62.4Low66.8Low188 Ų188103.5 Ų103.571%0.70949%0.486SS*.Hα-helixtrans-62.4-49.4175.9-75.1-176.5177-170.1-1.4111.9T832 F833 I834 S838 K839 H840T832-R836 PolarHBondContact O-N 3.44Å; F833-R836 PolarHBondContact O-N 3.34Å; I834-R836 PolarHBondContact O-N 2.78Å; R836-S838 VanDerWaalsContact C-N 3.32Å; R836-S838 PolarHBondContact O-N 3.15Å; R836-K839 PolarHBondContact O-N 2.9Å; R836-H840 PolarHBondContact O-N 3.28Å
837K62Low66.7Low127 Ų127107.7 Ų107.755%0.55249%0.494SS*.Hα-helixtrans-61-37.7175.1-81.3-169.8171.1-176.90112.7F833 I834 K841F833-K837 HydrophobicContact CD1-CD 4.39Å; F833-K837 HydrophobicContact CE1-CD 3.91Å; F833-K837 VanDerWaalsContact CE1-CE 3.47Å; F833-K837 HydrophobicContact CE1-CG 4.49Å; F833-K837 HydrophobicContact CZ-CD 4.33Å; F833-K837 PolarHBondContact O-N 3.49Å; I834-K837 PolarHBondContact O-N 2.82Å; K837-K841 PolarHBondContact O-N 2.68Å; K837-K841 VanDerWaalsContact O-N 3.08Å
838S61.4Low66.4Low47 Ų47110.2 Ų110.233%0.32950%0.499SS..Hα-helixtrans-66-43.6174.5-171.50000112.1I834 R835 R836 K841 N842I834-S838 VanDerWaalsContact O-CB 3.31Å; I834-S838 WeakPolarHBondContact O-CB 3.37Å; I834-S838 PolarHBondContact O-N 3.28Å; R835-S838 PolarHBondContact O-N 3.07Å; R836-S838 VanDerWaalsContact C-N 3.32Å; R836-S838 PolarHBondContact O-N 3.15Å; S838-K841 PolarHBondContact O-N 2.92Å; S838-N842 WeakPolarHBondContact O-CB 3.25Å; S838-N842 VanDerWaalsContact O-CG 3.28Å; S838-N842 PolarHBondContact O-N 3.13Å; S838-N842 PolarHBondContact O-ND2 3.17Å
839K63.7Low66.2Low148 Ų148106.6 Ų106.664%0.64348%0.482SS*.Hα-helixtrans-61.9-43177.1-167.4176.7-179.7-1770110.8R835 R836 N842 I843R835-K839 WeakPolarHBondContact O-CB 3.44Å; R835-K839 PolarHBondContact O-N 3.48Å; R836-K839 PolarHBondContact O-N 2.9Å; K839-N842 PolarHBondContact O-N 3.1Å; K839-I843 HydrophobicContact CG-CD1 4.03Å; K839-I843 VanDerWaalsContact O-CG1 3.31Å; K839-I843 WeakPolarHBondContact O-CG1 3.24Å; K839-I843 PolarHBondContact O-N 2.65Å
840H66.4Low66Low121 Ų121106.3 Ų106.356%0.5648%0.478SS*.Hα-helixtrans-61-51176-159.5-86000112.4R836 N842 I843 E844R836-H840 PolarHBondContact O-N 3.28Å; H840-N842 VanDerWaalsContact C-N 3.27Å; H840-N842 PolarHBondContact O-N 3.1Å; H840-I843 PolarHBondContact O-N 3.39Å; H840-I843 VanDerWaalsContact O-N 3.1Å; H840-E844 IonicContact CE1-OE1 3.86Å; H840-E844 PolarHBondContact CE1-OE1 2.9Å; H840-E844 IonicContact ND1-OE1 2.76Å; H840-E844 PolarHBondContact ND1-OE1 2.93Å; H840-E844 PolarHBondContact O-N 3.38Å
841K64.7Low65.9Low151 Ų151107.8 Ų107.866%0.65748%0.48SS*.Hα-helixtrans-59.6-36.6177.4-75.8-173.3173.4-172.90112.5K837 S838 R845K837-K841 PolarHBondContact O-N 2.68Å; K837-K841 VanDerWaalsContact O-N 3.08Å; S838-K841 PolarHBondContact O-N 2.92Å; K841-R845 WeakPolarHBondContact O-CB 3.49Å; K841-R845 PolarHBondContact O-N 3.06Å
842N64.8Low65.7Low80 Ų80105.8 Ų105.843%0.42848%0.481SS..Hα-helixtrans-69.6-37.2175.4-73-16.7000112.6S838 K839 H840 R845 G846S838-N842 WeakPolarHBondContact O-CB 3.25Å; S838-N842 VanDerWaalsContact O-CG 3.28Å; S838-N842 PolarHBondContact O-N 3.13Å; S838-N842 PolarHBondContact O-ND2 3.17Å; K839-N842 PolarHBondContact O-N 3.1Å; H840-N842 VanDerWaalsContact C-N 3.27Å; H840-N842 PolarHBondContact O-N 3.1Å; N842-R845 PolarHBondContact O-N 3.16Å; N842-G846 PolarHBondContact O-N 2.92Å
843I69.7Low65.8Low82 Ų82108.4 Ų108.442%0.42149%0.485SS..Hα-helixtrans-67.2-47.4174.8-69.5164.1000110.9K839 H840 R845 G846 R847K839-I843 HydrophobicContact CG-CD1 4.03Å; K839-I843 VanDerWaalsContact O-CG1 3.31Å; K839-I843 WeakPolarHBondContact O-CG1 3.24Å; K839-I843 PolarHBondContact O-N 2.65Å; H840-I843 PolarHBondContact O-N 3.39Å; H840-I843 VanDerWaalsContact O-N 3.1Å; I843-R845 VanDerWaalsContact C-N 3.29Å; I843-R845 PolarHBondContact O-N 3.35Å; I843-G846 PolarHBondContact O-N 3.46Å; I843-R847 WeakPolarHBondContact O-CG 3.48Å; I843-R847 PolarHBondContact O-N 2.97Å
844E64.8Low66.1Low67 Ų67108.4 Ų108.431%0.31349%0.485SS..Hα-helixtrans-56.3-44.6173-80.8-178.9-120.600112H840 R847 R848H840-E844 IonicContact CE1-OE1 3.86Å; H840-E844 PolarHBondContact CE1-OE1 2.9Å; H840-E844 IonicContact ND1-OE1 2.76Å; H840-E844 PolarHBondContact ND1-OE1 2.93Å; H840-E844 PolarHBondContact O-N 3.38Å; E844-R847 CarbonylContact O-C 3.59Å; E844-R847 WeakPolarHBondContact O-CB 3.48Å; E844-R847 PolarHBondContact O-N 3.34Å; E844-R848 WeakPolarHBondContact O-CG 3.42Å; E844-R848 PolarHBondContact O-N 3.13Å; E844-R848 IonicContact OE2-CZ 3.49Å; E844-R848 IonicContact OE2-NH2 3.47Å; E844-R848 PolarHBondContact OE2-NH2 2.92Å
845R65.9Low66.3Low81 Ų81104.8 Ų104.831%0.30647%0.472SS..Hα-helixtrans-61.8-48.8179.1179.7176-172.9168.714.1111.3K841 N842 I843 R847 R848 E849K841-R845 WeakPolarHBondContact O-CB 3.49Å; K841-R845 PolarHBondContact O-N 3.06Å; N842-R845 PolarHBondContact O-N 3.16Å; I843-R845 VanDerWaalsContact C-N 3.29Å; I843-R845 PolarHBondContact O-N 3.35Å; R845-R847 VanDerWaalsContact C-N 3.28Å; R845-R847 PolarHBondContact O-N 3.41Å; R845-R848 WeakPolarHBondContact O-CA 3.49Å; R845-R848 WeakPolarHBondContact O-CB 2.95Å; R845-R848 PolarHBondContact O-N 3.14Å; R845-E849 WeakPolarHBondContact CG-OE1 3.1Å; R845-E849 IonicContact CZ-OE1 2.71Å; R845-E849 IonicContact NE-OE1 3.74Å; R845-E849 PolarHBondContact NE-OE1 2.78Å; R845-E849 IonicContact NH2-OE1 3.63Å; R845-E849 PolarHBondContact NH2-OE1 3.37Å; R845-E849 PolarHBondContact O-N 3.35Å
846G65Low67.1Low23 Ų2399.5 Ų99.524%0.23746%0.455CS..Hα-helixtrans-58.4-38173.200000112.7N842 I843 R848 E849 N850N842-G846 PolarHBondContact O-N 2.92Å; I843-G846 PolarHBondContact O-N 3.46Å; G846-R848 VanDerWaalsContact C-N 3.32Å; G846-R848 PolarHBondContact O-N 2.85Å; G846-E849 PolarHBondContact O-N 3.44Å; G846-N850 VanDerWaalsContact O-CB 3.25Å; G846-N850 WeakPolarHBondContact O-CB 3.41Å; G846-N850 VanDerWaalsContact O-CG 3.26Å; G846-N850 PolarHBondContact O-N 3.29Å
847R67.3Low67.8Low163 Ų16398.6 Ų98.662%0.61545%0.451SS*.Hα-helixtrans-67.2-25.2171.9-71.6178.8-179.5-177.92.1113.6I843 E844 R845 R851I843-R847 WeakPolarHBondContact O-CG 3.48Å; I843-R847 PolarHBondContact O-N 2.97Å; E844-R847 CarbonylContact O-C 3.59Å; E844-R847 WeakPolarHBondContact O-CB 3.48Å; E844-R847 PolarHBondContact O-N 3.34Å; R845-R847 VanDerWaalsContact C-N 3.28Å; R845-R847 PolarHBondContact O-N 3.41Å; R847-R851 WeakPolarHBondContact O-CG 3.36Å; R847-R851 PolarHBondContact O-N 2.98Å; R847-R851 PolarHBondContact O-NE 3.21Å
848R64.8Low68.7Low153 Ų15393.6 Ų93.658%0.57743%0.431SS*.Hα-helixtrans-80.4-44.5173-67172.8-157.8-149.77.6110.8E844 R845 G846 R851 A852E844-R848 WeakPolarHBondContact O-CG 3.42Å; E844-R848 PolarHBondContact O-N 3.13Å; E844-R848 IonicContact OE2-CZ 3.49Å; E844-R848 IonicContact OE2-NH2 3.47Å; E844-R848 PolarHBondContact OE2-NH2 2.92Å; R845-R848 WeakPolarHBondContact O-CA 3.49Å; R845-R848 WeakPolarHBondContact O-CB 2.95Å; R845-R848 PolarHBondContact O-N 3.14Å; G846-R848 VanDerWaalsContact C-N 3.32Å; G846-R848 PolarHBondContact O-N 2.85Å; R848-R851 WeakPolarHBondContact O-CB 3.36Å; R848-R851 PolarHBondContact O-N 2.8Å; R848-A852 PolarHBondContact O-N 2.98Å
849E67Low69.6Low50 Ų5091.8 Ų91.823%0.23442%0.418CS..Hα-helixtrans-65-39.9177.7-72.9158.5-178.100111.8S352 R845 G846 R851 A852 R853S352-E849 WeakPolarHBondContact CB-OE1 3.27Å; R845-E849 WeakPolarHBondContact CG-OE1 3.1Å; R845-E849 IonicContact CZ-OE1 2.71Å; R845-E849 IonicContact NE-OE1 3.74Å; R845-E849 PolarHBondContact NE-OE1 2.78Å; R845-E849 IonicContact NH2-OE1 3.63Å; R845-E849 PolarHBondContact NH2-OE1 3.37Å; R845-E849 PolarHBondContact O-N 3.35Å; G846-E849 PolarHBondContact O-N 3.44Å; E849-R851 PolarHBondContact O-N 3.19Å; E849-A852 PolarHBondContact O-N 2.87Å; E849-R853 PolarHBondContact O-N 3.35Å
850N68Low70.7Confident84 Ų8487.7 Ų87.745%0.44941%0.405SS..Hα-helixtrans-67.1-33.2172.2-73.8-9.7000112.9G846 R853 K854G846-N850 VanDerWaalsContact O-CB 3.25Å; G846-N850 WeakPolarHBondContact O-CB 3.41Å; G846-N850 VanDerWaalsContact O-CG 3.26Å; G846-N850 PolarHBondContact O-N 3.29Å; N850-R853 PolarHBondContact OD1-NH2 2.95Å; N850-K854 WeakPolarHBondContact O-CG 3.29Å; N850-K854 PolarHBondContact O-N 3.45Å
851R68.1Low71.6Confident164 Ų16487.3 Ų87.362%0.61940%0.402SS*.Hα-helixtrans-67.9-41.5172-83.9-177.9-75.3-178.3-4.5111.7R847 R848 E849 K854 A855R847-R851 WeakPolarHBondContact O-CG 3.36Å; R847-R851 PolarHBondContact O-N 2.98Å; R847-R851 PolarHBondContact O-NE 3.21Å; R848-R851 WeakPolarHBondContact O-CB 3.36Å; R848-R851 PolarHBondContact O-N 2.8Å; E849-R851 PolarHBondContact O-N 3.19Å; R851-K854 PolarHBondContact O-N 2.95Å; R851-A855 PolarHBondContact O-N 2.97Å
852A68.1Low72.7Confident52 Ų5280.7 Ų80.743%0.4337%0.374SS..Hα-helixtrans-60.7-48.7174.400000111.6R848 E849 K854 A855 L856R848-A852 PolarHBondContact O-N 2.98Å; E849-A852 PolarHBondContact O-N 2.87Å; A852-K854 VanDerWaalsContact C-N 3.34Å; A852-K854 PolarHBondContact O-N 3.47Å; A852-A855 PolarHBondContact O-N 3.39Å; A852-L856 VanDerWaalsContact O-CG 3.28Å; A852-L856 WeakPolarHBondContact O-CG 3.29Å; A852-L856 PolarHBondContact O-N 2.94Å
853R71.4Confident73.8Confident106 Ų10677.3 Ų77.340%0.436%0.356SS..Hα-helixtrans-59.9-38.7176.1-76-170.8-76.4-110.60.6113.4E849 N850 R857E849-R853 PolarHBondContact O-N 3.35Å; N850-R853 PolarHBondContact OD1-NH2 2.95Å; R853-R857 PolarHBondContact O-N 2.97Å; R853-R857 VanDerWaalsContact O-N 3.14Å
854K71.5Confident74.8Confident125 Ų12574.9 Ų74.954%0.54335%0.351SS..Hα-helixtrans-65-46.9174.3-76.1-177.3176.7-166.40112.1N850 R851 A852 L856 R857 T858N850-K854 WeakPolarHBondContact O-CG 3.29Å; N850-K854 PolarHBondContact O-N 3.45Å; R851-K854 PolarHBondContact O-N 2.95Å; A852-K854 VanDerWaalsContact C-N 3.34Å; A852-K854 PolarHBondContact O-N 3.47Å; K854-L856 VanDerWaalsContact C-N 3.34Å; K854-L856 PolarHBondContact O-N 2.76Å; K854-R857 WeakPolarHBondContact O-CB 3.44Å; K854-R857 PolarHBondContact O-N 3.47Å; K854-T858 PolarHBondContact O-N 3.4Å; K854-T858 VanDerWaalsContact O-N 3.11Å; K854-T858 PolarHBondContact O-OG1 2.69Å
855A72Confident76.1Confident39 Ų3972.4 Ų72.432%0.32234%0.342SS..Hα-helixtrans-62.9-38.3177.800000112.8R851 A852 T858 I859R851-A855 PolarHBondContact O-N 2.97Å; A852-A855 PolarHBondContact O-N 3.39Å; A855-T858 WeakPolarHBondContact O-CB 3.47Å; A855-T858 PolarHBondContact O-N 3.01Å; A855-I859 WeakPolarHBondContact O-CD1 3.35Å; A855-I859 VanDerWaalsContact O-CG1 3.31Å; A855-I859 WeakPolarHBondContact O-CG1 3.49Å; A855-I859 PolarHBondContact O-N 3.42Å
856L80.3Confident77.4Confident39 Ų3968.5 Ų68.520%0.20433%0.327CS..Hα-helixtrans-60.2-46.8173.5-71165.9000111.4I341 A345 A852 K854 T858 I859 T860I341-L856 HydrophobicContact CG2-CD2 3.31Å; A345-L856 HydrophobicContact CB-CD1 3.55Å; A345-L856 HydrophobicContact CB-CD2 4.21Å; A852-L856 VanDerWaalsContact O-CG 3.28Å; A852-L856 WeakPolarHBondContact O-CG 3.29Å; A852-L856 PolarHBondContact O-N 2.94Å; K854-L856 VanDerWaalsContact C-N 3.34Å; K854-L856 PolarHBondContact O-N 2.76Å; L856-T858 VanDerWaalsContact C-N 3.3Å; L856-T858 PolarHBondContact O-N 2.93Å; L856-I859 PolarHBondContact O-N 3.28Å; L856-I859 VanDerWaalsContact O-N 3.08Å; L856-T860 PolarHBondContact O-N 3.04Å; L856-T860 PolarHBondContact O-OG1 3.02Å; L856-T860 VanDerWaalsContact O-OG1 3.09Å
857R77.7Confident78.8Confident168 Ų16869.7 Ų69.763%0.63433%0.33SS*.Hα-helixtrans-57.8-39.6175.6-177.7-177.5-71.9-172.3-5112.4R853 K854 T860 F861R853-R857 PolarHBondContact O-N 2.97Å; R853-R857 VanDerWaalsContact O-N 3.14Å; K854-R857 WeakPolarHBondContact O-CB 3.44Å; K854-R857 PolarHBondContact O-N 3.47Å; R857-T860 PolarHBondContact O-N 2.8Å; R857-F861 HydrophobicContact CG-CD2 3.93Å; R857-F861 HydrophobicContact CG-CE2 3.51Å; R857-F861 HydrophobicContact CG-CZ 4.4Å; R857-F861 VanDerWaalsContact O-CD2 3.24Å; R857-F861 WeakPolarHBondContact O-CD2 3.32Å; R857-F861 PolarHBondContact O-N 3.47Å
858T80Confident80.1Confident22 Ų2267.5 Ų67.514%0.13533%0.329CS..Hα-helixtrans-58.4-47.2173.4-43.80000111.6K854 A855 L856 F861 I862 A919K854-T858 PolarHBondContact O-N 3.4Å; K854-T858 VanDerWaalsContact O-N 3.11Å; K854-T858 PolarHBondContact O-OG1 2.69Å; A855-T858 WeakPolarHBondContact O-CB 3.47Å; A855-T858 PolarHBondContact O-N 3.01Å; L856-T858 VanDerWaalsContact C-N 3.3Å; L856-T858 PolarHBondContact O-N 2.93Å; T858-F861 PolarHBondContact O-N 2.9Å; T858-I862 HydrophobicContact CG2-CD1 3.9Å; T858-I862 WeakPolarHBondContact O-CG1 3.49Å; T858-I862 PolarHBondContact O-N 3.45Å; T858-I862 VanDerWaalsContact O-N 3.07Å; T858-A919 HydrophobicContact CG2-CB 3.93Å; T858-A919 VanDerWaalsContact OG1-CB 3.23Å; T858-A919 WeakPolarHBondContact OG1-CB 3.17Å
859I81.2Confident81.6Confident10 Ų1060.3 Ų60.35%0.05130%0.302CS..Hα-helixtrans-66.6-40.6-178.7-58.4156000110.6R252 Y338 A855 L856 F861 I862 M863R252-I859 HydrophobicContact CB-CD1 3.69Å; R252-I859 HydrophobicContact CG-CD1 3.51Å; R252-I859 HydrophobicContact CG-CG1 4.04Å; Y338-I859 HydrophobicContact CD2-CG2 3.91Å; Y338-I859 HydrophobicContact CE2-CG2 4.09Å; A855-I859 WeakPolarHBondContact O-CD1 3.35Å; A855-I859 VanDerWaalsContact O-CG1 3.31Å; A855-I859 WeakPolarHBondContact O-CG1 3.49Å; A855-I859 PolarHBondContact O-N 3.42Å; L856-I859 PolarHBondContact O-N 3.28Å; L856-I859 VanDerWaalsContact O-N 3.08Å; I859-F861 VanDerWaalsContact C-N 3.32Å; I859-F861 PolarHBondContact O-N 3.27Å; I859-I862 PolarHBondContact O-N 3.12Å; I859-M863 HydrophobicContact CG2-CG 4Å; I859-M863 VanDerWaalsContact O-CB 3.31Å; I859-M863 WeakPolarHBondContact O-CB 3.46Å; I859-M863 WeakPolarHBondContact O-CG 3.46Å; I859-M863 PolarHBondContact O-N 2.88Å
860T86.6Confident83Confident62 Ų6258.4 Ų58.438%0.3829%0.293SS..Hα-helixtrans-56.9-44.2175.7-56.30000112Y338 L856 R857 G864Y338-T860 WeakPolarHBondContact OH-CB 3.38Å; Y338-T860 WeakPolarHBondContact OH-CG2 3.45Å; Y338-T860 PolarHBondContact OH-OG1 2.95Å; L856-T860 PolarHBondContact O-N 3.04Å; L856-T860 PolarHBondContact O-OG1 3.02Å; L856-T860 VanDerWaalsContact O-OG1 3.09Å; R857-T860 PolarHBondContact O-N 2.8Å; T860-G864 PolarHBondContact O-N 3.01Å
861F85.9Confident84.3Confident113 Ų11355.4 Ų55.450%0.49628%0.278SS..Hα-helixtrans-69.7-45.6178.1-71.9-54000112.7R857 T858 I859 M863 G864 A865R857-F861 HydrophobicContact CG-CD2 3.93Å; R857-F861 HydrophobicContact CG-CE2 3.51Å; R857-F861 HydrophobicContact CG-CZ 4.4Å; R857-F861 VanDerWaalsContact O-CD2 3.24Å; R857-F861 WeakPolarHBondContact O-CD2 3.32Å; R857-F861 PolarHBondContact O-N 3.47Å; T858-F861 PolarHBondContact O-N 2.9Å; I859-F861 VanDerWaalsContact C-N 3.32Å; I859-F861 PolarHBondContact O-N 3.27Å; F861-M863 PolarHBondContact O-N 3Å; F861-G864 PolarHBondContact O-N 3.45Å; F861-A865 WeakPolarHBondContact O-CB 3.32Å; F861-A865 PolarHBondContact O-N 3.48Å
862I86.2Confident85.6Confident11 Ų1149.5 Ų49.56%0.05626%0.261CS..Hα-helixtrans-62.3-44.9178.4-66170.2000110.9V245 T858 I859 F866 C915 Y916V245-I862 HydrophobicContact CG1-CG2 4.23Å; V245-I862 HydrophobicContact CG2-CG2 4.44Å; T858-I862 HydrophobicContact CG2-CD1 3.9Å; T858-I862 WeakPolarHBondContact O-CG1 3.49Å; T858-I862 PolarHBondContact O-N 3.45Å; T858-I862 VanDerWaalsContact O-N 3.07Å; I859-I862 PolarHBondContact O-N 3.12Å; I862-F866 WeakPolarHBondContact O-CB 3.26Å; I862-F866 PolarHBondContact O-N 3.08Å; I862-C915 HydrophobicContact CG1-CB 4.22Å; I862-Y916 HydrophobicContact CD1-CE1 3.93Å
863M88.6Confident86.9Confident9 Ų947.6 Ų47.64%0.04424%0.242CC..Hα-helixtrans-66-39.3176.7-73.2-53.5-4500112.5V245 T249 M334 Y338 I859 F861 V867V245-M863 HydrophobicContact CG1-SD 4.01Å; T249-M863 PolarHBondContact OG1-SD 3.42Å; M334-M863 HydrophobicContact CB-CE 3.69Å; M334-M863 HydrophobicContact CB-SD 4.43Å; M334-M863 HydrophobicContact SD-CE 4.2Å; M334-M863 HydrophobicContact SD-SD 4.38Å; Y338-M863 HydrophobicContact CD2-CG 4.14Å; I859-M863 HydrophobicContact CG2-CG 4Å; I859-M863 VanDerWaalsContact O-CB 3.31Å; I859-M863 WeakPolarHBondContact O-CB 3.46Å; I859-M863 WeakPolarHBondContact O-CG 3.46Å; I859-M863 PolarHBondContact O-N 2.88Å; F861-M863 PolarHBondContact O-N 3Å; M863-V867 WeakPolarHBondContact O-CG2 3.49Å; M863-V867 PolarHBondContact O-N 2.63Å; M863-V867 VanDerWaalsContact O-N 3.09Å
864G90.7Very high88Confident31 Ų3142.8 Ų42.832%0.3222%0.224SC..Hα-helixtrans-64-47.5176.600000112.1T860 F861 V867 I868T860-G864 PolarHBondContact O-N 3.01Å; F861-G864 PolarHBondContact O-N 3.45Å; G864-V867 PolarHBondContact O-N 3.47Å; G864-I868 WeakPolarHBondContact O-CB 3.48Å; G864-I868 WeakPolarHBondContact O-CD1 3.48Å; G864-I868 VanDerWaalsContact O-CG1 3.29Å; G864-I868 WeakPolarHBondContact O-CG1 3.43Å; G864-I868 PolarHBondContact O-N 3.19Å; G864-I868 VanDerWaalsContact O-N 3.08Å
865A92.1Very high89.1Confident15 Ų1540.6 Ų40.612%0.12422%0.218CC..Hα-helixtrans-58.9-48.5174.700000111.3F861 V867 I868 C869 I911F861-A865 WeakPolarHBondContact O-CB 3.32Å; F861-A865 PolarHBondContact O-N 3.48Å; A865-V867 PolarHBondContact O-N 2.84Å; A865-I868 PolarHBondContact O-N 2.91Å; A865-C869 VanDerWaalsContact O-CB 3.29Å; A865-C869 WeakPolarHBondContact O-CB 3.33Å; A865-C869 PolarHBondContact O-N 3.15Å; A865-C869 PolarHBondContact O-SG 3.18Å; A865-I911 HydrophobicContact CB-CG2 3.83Å
866F92.2Very high90.1Very high0 Ų038.9 Ų38.90%020%0.203CC..Hα-helixtrans-54.8-49.3178.2179.1-89.3000112.2Q242 V245 F327 L331 M334 I862 I868 W870Q242-F866 HydrophobicContact CB-CE2 3.95Å; Q242-F866 HydrophobicContact CB-CZ 4.31Å; Q242-F866 HydrophobicContact CG-CE2 3.83Å; Q242-F866 HydrophobicContact CG-CZ 3.68Å; V245-F866 HydrophobicContact CG1-CD2 4.46Å; F327-F866 HydrophobicContact CE2-CE1 4.29Å; F327-F866 HydrophobicContact CE2-CZ 4.12Å; L331-F866 HydrophobicContact CD1-CE1 4.35Å; M334-F866 HydrophobicContact CE-CD1 4.44Å; M334-F866 HydrophobicContact CE-CE1 3.74Å; M334-F866 HydrophobicContact CE-CE2 4.45Å; M334-F866 HydrophobicContact CE-CZ 3.76Å; I862-F866 WeakPolarHBondContact O-CB 3.26Å; I862-F866 PolarHBondContact O-N 3.08Å; F866-I868 PolarHBondContact O-N 2.82Å; F866-W870 AromaticContact CD2-CD1 3.22Å; F866-W870 HydrophobicContact CD2-CG 4.16Å; F866-W870 AromaticContact CD2-NE1 3.47Å; F866-W870 HydrophobicContact CE2-CB 4.49Å; F866-W870 AromaticContact CE2-CD1 3.3Å; F866-W870 HydrophobicContact CE2-CD2 4.37Å; F866-W870 AromaticContact CE2-CG 3.84Å; F866-W870 HydrophobicContact CE2-CG 3.84Å; F866-W870 AromaticContact CE2-NE1 3.52Å; F866-W870 AromaticContact CG-CD1 3.83Å; F866-W870 HydrophobicContact CZ-CB 4.34Å; F866-W870 AromaticContact CZ-CD1 3.97Å; F866-W870 HydrophobicContact CZ-CG 4.15Å; F866-W870 WeakPolarHBondContact O-CB 3.41Å; F866-W870 VanDerWaalsContact O-CD1 3.24Å; F866-W870 PolarHBondContact O-N 3.11Å
867V94.5Very high90.6Very high48 Ų4837.4 Ų37.429%0.29120%0.196SC..Hα-helixtrans-64.9-41.8-179.7176.80000111.7L331 L335 M863 G864 A865 T871L331-V867 HydrophobicContact CD1-CG2 3.81Å; L335-V867 HydrophobicContact CD2-CG2 4.4Å; M863-V867 WeakPolarHBondContact O-CG2 3.49Å; M863-V867 PolarHBondContact O-N 2.63Å; M863-V867 VanDerWaalsContact O-N 3.09Å; G864-V867 PolarHBondContact O-N 3.47Å; A865-V867 PolarHBondContact O-N 2.84Å; V867-T871 VanDerWaalsContact O-CB 3.25Å; V867-T871 WeakPolarHBondContact O-CB 3.1Å; V867-T871 PolarHBondContact O-N 2.91Å; V867-T871 PolarHBondContact O-OG1 3.1Å
868I95.3Very high91.2Very high116 Ų11631.4 Ų31.460%0.59518%0.175SC*.Hα-helixtrans-68.6-41.4-179.3-68.2167.2000111.5G864 A865 F866 P872G864-I868 WeakPolarHBondContact O-CB 3.48Å; G864-I868 WeakPolarHBondContact O-CD1 3.48Å; G864-I868 VanDerWaalsContact O-CG1 3.29Å; G864-I868 WeakPolarHBondContact O-CG1 3.43Å; G864-I868 PolarHBondContact O-N 3.19Å; G864-I868 VanDerWaalsContact O-N 3.08Å; A865-I868 PolarHBondContact O-N 2.91Å; F866-I868 PolarHBondContact O-N 2.82Å; I868-P872 VanDerWaalsContact O-CD 3.26Å; I868-P872 WeakPolarHBondContact O-CD 3.36Å
869C96.2Very high91.7Very high3 Ų334.2 Ų34.22%0.0219%0.188CC..Hα-helixtrans-71.6-48.7-179.2-76.70000112.7A865 L904 C905 N908A865-C869 VanDerWaalsContact O-CB 3.29Å; A865-C869 WeakPolarHBondContact O-CB 3.33Å; A865-C869 PolarHBondContact O-N 3.15Å; A865-C869 PolarHBondContact O-SG 3.18Å; C869-L904 VanDerWaalsContact CA-O 3.31Å; C869-L904 WeakPolarHBondContact CA-O 3.37Å; C869-L904 WeakPolarHBondContact CB-O 3.39Å; C869-L904 CarbonylContact O-C 3.6Å; C869-L904 PolarHBondContact SG-O 2.93Å; C869-C905 PolarHBondContact O-N 2.68Å; C869-C905 PolarHBondContact O-SG 3.45Å; C869-N908 HydrophobicContact CB-CB 3.85Å
870W95.8Very high92Very high10 Ų1036.1 Ų36.14%0.03820%0.197CC..Hα-helixtrans-90.3-28.2-167-68.996.7000115.6C238 F327 F866 H874 C905 N908C238-W870 HydrophobicContact CB-CH2 3.51Å; C238-W870 HydrophobicContact CB-CZ3 3.97Å; F327-W870 HydrophobicContact CE2-CB 3.63Å; F327-W870 HydrophobicContact CZ-CB 4.08Å; F866-W870 AromaticContact CD2-CD1 3.22Å; F866-W870 HydrophobicContact CD2-CG 4.16Å; F866-W870 AromaticContact CD2-NE1 3.47Å; F866-W870 HydrophobicContact CE2-CB 4.49Å; F866-W870 AromaticContact CE2-CD1 3.3Å; F866-W870 HydrophobicContact CE2-CD2 4.37Å; F866-W870 AromaticContact CE2-CG 3.84Å; F866-W870 HydrophobicContact CE2-CG 3.84Å; F866-W870 AromaticContact CE2-NE1 3.52Å; F866-W870 AromaticContact CG-CD1 3.83Å; F866-W870 HydrophobicContact CZ-CB 4.34Å; F866-W870 AromaticContact CZ-CD1 3.97Å; F866-W870 HydrophobicContact CZ-CG 4.15Å; F866-W870 WeakPolarHBondContact O-CB 3.41Å; F866-W870 VanDerWaalsContact O-CD1 3.24Å; F866-W870 PolarHBondContact O-N 3.11Å; W870-H874 AromaticContact CE3-CE1 3.81Å; W870-H874 PolarHBondContact O-N 3.24Å; W870-H874 PolarHBondContact O-ND1 3.01Å; W870-C905 HydrophobicContact CD2-CB 4.36Å; W870-C905 HydrophobicContact CE3-CB 3.85Å; W870-C905 VanDerWaalsContact CE3-SG 3.53Å; W870-C905 HydrophobicContact CZ3-CB 3.94Å; W870-N908 VanDerWaalsContact NE1-CG 3.32Å; W870-N908 PolarHBondContact NE1-ND2 3.1Å
871T96Very high91.9Very high21 Ų2133.8 Ų33.813%0.12919%0.185CC..Hα-helixtrans-68.8-40.5-172.8-45.30000113.5W328 V867 Y873 H874 I875W328-T871 HydrophobicContact CH2-CG2 3.7Å; W328-T871 HydrophobicContact CZ3-CG2 4.14Å; V867-T871 VanDerWaalsContact O-CB 3.25Å; V867-T871 WeakPolarHBondContact O-CB 3.1Å; V867-T871 PolarHBondContact O-N 2.91Å; V867-T871 PolarHBondContact O-OG1 3.1Å; T871-Y873 PolarHBondContact O-N 2.87Å; T871-H874 PolarHBondContact O-N 3.13Å; T871-I875 HydrophobicContact CG2-CD1 3.93Å; T871-I875 HydrophobicContact CG2-CG1 4.28Å; T871-I875 WeakPolarHBondContact O-CG1 3.4Å; T871-I875 PolarHBondContact O-N 3.09Å
872P96.1Very high91.8Very high40 Ų4034.5 Ų34.526%0.2619%0.192SC..Hα-helixtrans-59.9-43.4-178-28.438.9000113.8I868 I875 V876 T901 L904I868-P872 VanDerWaalsContact O-CD 3.26Å; I868-P872 WeakPolarHBondContact O-CD 3.36Å; P872-I875 PolarHBondContact O-N 3.38Å; P872-V876 WeakPolarHBondContact O-CG2 3.27Å; P872-V876 PolarHBondContact O-N 3.31Å; P872-T901 HydrophobicContact CB-CG2 3.78Å; P872-L904 HydrophobicContact CB-CD2 4.2Å; P872-L904 HydrophobicContact CG-CD2 3.83Å
873Y95Very high91.9Very high12 Ų1235.7 Ų35.75%0.04720%0.201CC..Hα-helixtrans-63.7-43.6174.9175.1-112.9000112.1Y235 T871 I875 V876 I877 Y898 Y902 C905Y235-Y873 PolarHBondContact OH-OH 3.33Å; T871-Y873 PolarHBondContact O-N 2.87Å; Y873-I875 VanDerWaalsContact C-N 3.26Å; Y873-I875 PolarHBondContact O-N 3.09Å; Y873-V876 CarbonylContact O-C 3.51Å; Y873-V876 WeakPolarHBondContact O-CA 3.41Å; Y873-V876 PolarHBondContact O-N 2.97Å; Y873-I877 PolarHBondContact O-N 3.26Å; Y873-Y898 AromaticContact CE2-CE2 3.98Å; Y873-Y898 HydrophobicContact CE2-CE2 3.98Å; Y873-Y898 AromaticContact CE2-CZ 4Å; Y873-Y902 HydrophobicContact CD2-CD2 4.04Å; Y873-Y902 AromaticContact CE2-CD2 3.44Å; Y873-Y902 HydrophobicContact CE2-CD2 3.44Å; Y873-Y902 VanDerWaalsContact CE2-CD2 3.44Å; Y873-Y902 AromaticContact CE2-CE2 3.83Å; Y873-Y902 HydrophobicContact CE2-CE2 3.83Å; Y873-Y902 HydrophobicContact CE2-CG 4.35Å; Y873-Y902 AromaticContact CZ-CD2 3.93Å; Y873-Y902 AromaticContact CZ-CE2 3.83Å; Y873-C905 WeakPolarHBondContact CB-SG 3.35Å
874H94.3Very high91.6Very high4 Ų437.3 Ų37.32%0.01921%0.21CC..Hα-helixtrans-71.1-19.2180-72.9100.5000114Y326 F327 W328 W870 T871 M878Y326-H874 AromaticContact CE2-NE2 3.35Å; Y326-H874 WeakPolarHBondContact CE2-NE2 3.21Å; Y326-H874 AromaticContact CZ-NE2 3.53Å; Y326-H874 PolarHBondContact OH-CD2 3.19Å; Y326-H874 VanDerWaalsContact OH-CD2 3.31Å; Y326-H874 PolarHBondContact OH-NE2 2.82Å; F327-H874 HydrophobicContact CD1-CB 3.42Å; F327-H874 VanDerWaalsContact CD1-CB 3.42Å; F327-H874 AromaticContact CD1-CG 3.52Å; F327-H874 AromaticContact CD1-ND1 3.98Å; F327-H874 HydrophobicContact CD2-CB 4.44Å; F327-H874 AromaticContact CD2-CE1 3.49Å; F327-H874 VanDerWaalsContact CD2-CE1 3.49Å; F327-H874 WeakPolarHBondContact CD2-CE1 3.23Å; F327-H874 AromaticContact CD2-CG 3.71Å; F327-H874 AromaticContact CD2-ND1 3.36Å; F327-H874 WeakPolarHBondContact CD2-ND1 3.28Å; F327-H874 AromaticContact CD2-NE2 3.91Å; F327-H874 HydrophobicContact CE1-CB 3.52Å; F327-H874 AromaticContact CE1-CG 3.86Å; F327-H874 AromaticContact CE2-CE1 3.95Å; F327-H874 AromaticContact CE2-ND1 3.5Å; F327-H874 WeakPolarHBondContact CE2-ND1 3.36Å; F327-H874 HydrophobicContact CG-CB 3.92Å; F327-H874 AromaticContact CG-CD2 3.64Å; F327-H874 AromaticContact CG-CE1 3.9Å; F327-H874 AromaticContact CG-CG 3.44Å; F327-H874 VanDerWaalsContact CG-CG 3.44Å; F327-H874 AromaticContact CG-ND1 3.64Å; F327-H874 AromaticContact CG-NE2 3.91Å; F327-H874 HydrophobicContact CZ-CB 4.12Å; F327-H874 AromaticContact CZ-ND1 3.84Å; W328-H874 HydrophobicContact CZ2-CB 4.36Å; W870-H874 AromaticContact CE3-CE1 3.81Å; W870-H874 PolarHBondContact O-N 3.24Å; W870-H874 PolarHBondContact O-ND1 3.01Å; T871-H874 PolarHBondContact O-N 3.13Å; H874-M878 WeakPolarHBondContact O-CG 3.25Å
875I94.3Very high91Very high79 Ų7937.9 Ų37.941%0.40521%0.206SC..Hα-helixtrans-74.7-49163.8-68.8169.6000109.7W328 T871 P872 Y873 I877 M878 I879W328-I875 HydrophobicContact CH2-CD1 4.28Å; W328-I875 HydrophobicContact CH2-CG1 3.68Å; W328-I875 HydrophobicContact CZ2-CG1 3.75Å; T871-I875 HydrophobicContact CG2-CD1 3.93Å; T871-I875 HydrophobicContact CG2-CG1 4.28Å; T871-I875 WeakPolarHBondContact O-CG1 3.4Å; T871-I875 PolarHBondContact O-N 3.09Å; P872-I875 PolarHBondContact O-N 3.38Å; Y873-I875 VanDerWaalsContact C-N 3.26Å; Y873-I875 PolarHBondContact O-N 3.09Å; I875-I877 PolarHBondContact O-N 3.01Å; I875-M878 PolarHBondContact O-N 2.88Å; I875-I879 HydrophobicContact CG2-CD1 3.68Å; I875-I879 HydrophobicContact CG2-CG1 4.38Å; I875-I879 WeakPolarHBondContact O-CG1 3.29Å; I875-I879 PolarHBondContact O-N 3.26Å
876V93.1Very high90.1Very high4 Ų441.5 Ų41.52%0.02422%0.222CC..Hα-helixtrans-59.4-45.2-1791600000112.7P872 Y873 M878 I879 K880 V893 F897 Y898 T901P872-V876 WeakPolarHBondContact O-CG2 3.27Å; P872-V876 PolarHBondContact O-N 3.31Å; Y873-V876 CarbonylContact O-C 3.51Å; Y873-V876 WeakPolarHBondContact O-CA 3.41Å; Y873-V876 PolarHBondContact O-N 2.97Å; V876-M878 VanDerWaalsContact C-N 3.32Å; V876-M878 PolarHBondContact O-N 3.16Å; V876-I879 PolarHBondContact O-N 3.38Å; V876-K880 VanDerWaalsContact O-CB 3.27Å; V876-K880 WeakPolarHBondContact O-CB 3.5Å; V876-K880 PolarHBondContact O-N 3.15Å; V876-V893 HydrophobicContact CG1-CG1 4.04Å; V876-V893 HydrophobicContact CG2-CG1 4.49Å; V876-F897 HydrophobicContact CG2-CD1 3.92Å; V876-F897 HydrophobicContact CG2-CE1 3.48Å; V876-F897 VanDerWaalsContact CG2-CE1 3.48Å; V876-F897 HydrophobicContact CG2-CZ 4.45Å; V876-Y898 HydrophobicContact CG1-CD2 3.59Å; V876-Y898 HydrophobicContact CG1-CE2 4.27Å; V876-Y898 HydrophobicContact CG1-CG 4.49Å; V876-T901 HydrophobicContact CG2-CG2 3.96Å
877I90.8Very high89.2Confident8 Ų848.7 Ų48.74%0.04126%0.256CS..Hα-helixtrans-67.9-31.9-178.7-16263.3000112.3T323 Y873 I875 K880 G881 Y898T323-I877 HydrophobicContact CG2-CG2 4.25Å; Y873-I877 PolarHBondContact O-N 3.26Å; I875-I877 PolarHBondContact O-N 3.01Å; I877-K880 HydrophobicContact CD1-CD 4.5Å; I877-G881 PolarHBondContact O-N 3.46Å; I877-Y898 HydrophobicContact CD1-CE2 4.38Å
878M89.8Confident88.4Confident41 Ų4153.9 Ų53.920%0.20227%0.274CS..Hα-helixtrans-71.1-41.9171.8-77-17466.100112T320 T323 V324 W328 H874 I875 V876 G881 I882T320-M878 HydrophobicContact CG2-CE 4.09Å; T323-M878 HydrophobicContact CG2-CG 3.96Å; T323-M878 HydrophobicContact CG2-SD 4.28Å; V324-M878 HydrophobicContact CG2-CE 4.21Å; V324-M878 HydrophobicContact CG2-SD 4.44Å; W328-M878 HydrophobicContact CZ2-SD 4.42Å; W328-M878 PolarHBondContact NE1-SD 3.33Å; H874-M878 WeakPolarHBondContact O-CG 3.25Å; I875-M878 PolarHBondContact O-N 2.88Å; V876-M878 VanDerWaalsContact C-N 3.32Å; V876-M878 PolarHBondContact O-N 3.16Å; M878-G881 PolarHBondContact O-N 2.79Å; M878-I882 WeakPolarHBondContact O-CD1 3.21Å; M878-I882 VanDerWaalsContact O-CG1 3.28Å; M878-I882 WeakPolarHBondContact O-CG1 3.29Å; M878-I882 PolarHBondContact O-N 2.98Å; M878-I882 VanDerWaalsContact O-N 3.13Å
879I90.7Very high87.5Confident81 Ų8156.2 Ų56.242%0.41528%0.28SS..Hα-helixtrans-60.6-53.4174.2-70.1170.6000109.3I875 V876 G881 I882 C883 V893I875-I879 HydrophobicContact CG2-CD1 3.68Å; I875-I879 HydrophobicContact CG2-CG1 4.38Å; I875-I879 WeakPolarHBondContact O-CG1 3.29Å; I875-I879 PolarHBondContact O-N 3.26Å; V876-I879 PolarHBondContact O-N 3.38Å; I879-G881 VanDerWaalsContact C-N 3.32Å; I879-G881 PolarHBondContact O-N 2.66Å; I879-I882 PolarHBondContact O-N 3.36Å; I879-C883 WeakPolarHBondContact O-CB 3.14Å; I879-C883 PolarHBondContact O-N 2.97Å; I879-C883 PolarHBondContact O-SG 2.85Å; I879-V893 HydrophobicContact CB-CG2 4.48Å; I879-V893 HydrophobicContact CG2-CG2 3.82Å
880K88.3Confident86.9Confident51 Ų5162.2 Ų62.222%0.22230%0.304CS..Hα-helixtrans-51.6-48.7177.8-166.1179.7173.462.40111.4V876 I877 I882 C883 D884 Y898V876-K880 VanDerWaalsContact O-CB 3.27Å; V876-K880 WeakPolarHBondContact O-CB 3.5Å; V876-K880 PolarHBondContact O-N 3.15Å; I877-K880 HydrophobicContact CD1-CD 4.5Å; K880-I882 VanDerWaalsContact C-N 3.28Å; K880-I882 PolarHBondContact O-N 3.46Å; K880-C883 PolarHBondContact O-N 2.03Å; K880-D884 WeakPolarHBondContact CE-OD2 3.47Å; K880-D884 HydrophobicContact CG-CB 4.42Å; K880-D884 VanDerWaalsContact CG-CG 3.45Å; K880-D884 WeakPolarHBondContact CG-OD2 3.28Å; K880-D884 IonicContact NZ-OD2 3.33Å; K880-D884 PolarHBondContact NZ-OD2 3.2Å; K880-D884 VanDerWaalsContact O-CB 3.29Å; K880-D884 WeakPolarHBondContact O-CB 3.3Å; K880-D884 PolarHBondContact O-N 2.76Å; K880-Y898 HydrophobicContact CD-CD2 4.2Å; K880-Y898 HydrophobicContact CD-CE2 4.02Å
881G84Confident86.3Confident13 Ų1364.4 Ų64.413%0.13432%0.318CS..Hα-helixtrans-62.1-28.217600000114.6P316 I877 M878 I879P316-G881 WeakPolarHBondContact CB-O 3.29Å; I877-G881 PolarHBondContact O-N 3.46Å; M878-G881 PolarHBondContact O-N 2.79Å; I879-G881 VanDerWaalsContact C-N 3.32Å; I879-G881 PolarHBondContact O-N 2.66Å
882I84.6Confident86.1Confident127 Ų12765.8 Ų65.865%0.65133%0.328SS*.Hα-helixtrans-89-24.1179.4-67165.8000112.3M878 I879 K880M878-I882 WeakPolarHBondContact O-CD1 3.21Å; M878-I882 VanDerWaalsContact O-CG1 3.28Å; M878-I882 WeakPolarHBondContact O-CG1 3.29Å; M878-I882 PolarHBondContact O-N 2.98Å; M878-I882 VanDerWaalsContact O-N 3.13Å; I879-I882 PolarHBondContact O-N 3.36Å; K880-I882 VanDerWaalsContact C-N 3.28Å; K880-I882 PolarHBondContact O-N 3.46Å
883C87.1Confident85.7Confident37 Ų3764.5 Ų64.525%0.2532%0.319CS..Hα-helixtrans-117.8-20.7-166.373.20000116.7I879 K880 C892I879-C883 WeakPolarHBondContact O-CB 3.14Å; I879-C883 PolarHBondContact O-N 2.97Å; I879-C883 PolarHBondContact O-SG 2.85Å; K880-C883 PolarHBondContact O-N 2.03Å; C883-C892 HydrophobicContact CB-CB 3.62Å; C883-C892 WeakPolarHBondContact CB-SG 3.31Å; C883-C892 WeakPolarHBondContact SG-CB 3.41Å; C883-C892 CovalentContact SG-SG 2.01Å; C883-C892 PolarHBondContact SG-SG 3.1Å
884D83.9Confident85.5Confident42 Ų4268.7 Ų68.723%0.22534%0.342CS..  trans-76.9143.5-177.5-7819.7000111.1K880 Y890 T891 C892K880-D884 WeakPolarHBondContact CE-OD2 3.47Å; K880-D884 HydrophobicContact CG-CB 4.42Å; K880-D884 VanDerWaalsContact CG-CG 3.45Å; K880-D884 WeakPolarHBondContact CG-OD2 3.28Å; K880-D884 IonicContact NZ-OD2 3.33Å; K880-D884 PolarHBondContact NZ-OD2 3.2Å; K880-D884 VanDerWaalsContact O-CB 3.29Å; K880-D884 WeakPolarHBondContact O-CB 3.3Å; K880-D884 PolarHBondContact O-N 2.76Å; D884-Y890 WeakPolarHBondContact CA-O 3.28Å; D884-T891 VanDerWaalsContact OD1-CA 3.31Å; D884-T891 WeakPolarHBondContact OD1-CA 3.24Å; D884-T891 WeakPolarHBondContact OD2-CG2 3.44Å; D884-C892 PolarHBondContact OD1-N 3.16Å
885D77.6Confident85.1Confident44 Ų4471.6 Ų71.624%0.23536%0.358CS..BIsolated β-bridgetrans-121.5100.8176.7-175.4-26.1000109.6Q887 K888 K889 Y890D885-Q887 VanDerWaalsContact C-N 3.28Å; D885-Q887 PolarHBondContact O-N 2.89Å; D885-Q887 WeakPolarHBondContact OD1-CB 3.02Å; D885-Q887 PolarHBondContact OD1-N 3.02Å; D885-K888 HydrophobicContact CB-CB 4.26Å; D885-K888 HydrophobicContact CB-CG 4.49Å; D885-K888 CarbonylContact O-C 3.55Å; D885-K888 PolarHBondContact O-N 2.84Å; D885-K888 VanDerWaalsContact O-N 3.17Å; D885-K888 PolarHBondContact OD1-N 2.83Å; D885-K888 VanDerWaalsContact OD1-N 3.1Å; D885-K888 IonicContact OD2-NZ 3.33Å; D885-K888 PolarHBondContact OD2-NZ 3.22Å; D885-K889 PolarHBondContact O-N 3.19Å; D885-Y890 PolarHBondContact N-O 2.9Å; D885-Y890 PolarHBondContact O-N 3.26Å
886I72.1Confident84.8Confident90 Ų9071.9 Ų71.946%0.46236%0.36SS..G310 helixtrans-62.3-35.4-177.8-60171.3000111.3T314 K888 K889T314-I886 VanDerWaalsContact CB-CD1 3.48Å; T314-I886 HydrophobicContact CG2-CD1 3.71Å; I886-K888 VanDerWaalsContact C-N 3.26Å; I886-K888 PolarHBondContact O-N 2.78Å; I886-K889 PolarHBondContact O-N 3.01Å; I886-K889 VanDerWaalsContact O-N 3.16Å
887Q73.4Confident84.7Confident152 Ų15277.4 Ų77.471%0.7138%0.383SS*.G310 helixtrans-68.9-29-180-56.5-63.3-25.400111.4D885D885-Q887 VanDerWaalsContact C-N 3.28Å; D885-Q887 PolarHBondContact O-N 2.89Å; D885-Q887 WeakPolarHBondContact OD1-CB 3.02Å; D885-Q887 PolarHBondContact OD1-N 3.02Å
888K78.8Confident84.8Confident156 Ų15679 Ų7968%0.67839%0.389SS*.G310 helixtrans-94.62.1174-59.9-171-173.480.20114D885 I886 Y890D885-K888 HydrophobicContact CB-CB 4.26Å; D885-K888 HydrophobicContact CB-CG 4.49Å; D885-K888 CarbonylContact O-C 3.55Å; D885-K888 PolarHBondContact O-N 2.84Å; D885-K888 VanDerWaalsContact O-N 3.17Å; D885-K888 PolarHBondContact OD1-N 2.83Å; D885-K888 VanDerWaalsContact OD1-N 3.1Å; D885-K888 IonicContact OD2-NZ 3.33Å; D885-K888 PolarHBondContact OD2-NZ 3.22Å; I886-K888 VanDerWaalsContact C-N 3.26Å; I886-K888 PolarHBondContact O-N 2.78Å; K888-Y890 PolarHBondContact O-N 2.96Å; K888-Y890 VanDerWaalsContact O-N 3.14Å
889K75.9Confident84.9Confident166 Ų16677.6 Ų77.672%0.72238%0.384SS*.THydrogen-bonded Turntrans46.933.9-166.5-63-165.6174-162.80113.3D885 I886D885-K889 PolarHBondContact O-N 3.19Å; I886-K889 PolarHBondContact O-N 3.01Å; I886-K889 VanDerWaalsContact O-N 3.16Å
890Y83.4Confident85Confident129 Ų12977.9 Ų77.951%0.50639%0.389SS..BIsolated β-bridgetrans-95.5126-175.8172.1-103.1000111.1D884 D885 K888 C892D884-Y890 WeakPolarHBondContact CA-O 3.28Å; D885-Y890 PolarHBondContact N-O 2.9Å; D885-Y890 PolarHBondContact O-N 3.26Å; K888-Y890 PolarHBondContact O-N 2.96Å; K888-Y890 VanDerWaalsContact O-N 3.14Å; Y890-C892 HydrophobicContact CE1-CB 3.79Å; Y890-C892 WeakPolarHBondContact OH-CB 3.13Å
891T84.3Confident85.3Confident55 Ų5575.6 Ų75.634%0.33738%0.379SS..  trans-109.1132.3168.4640000109.9D884D884-T891 VanDerWaalsContact OD1-CA 3.31Å; D884-T891 WeakPolarHBondContact OD1-CA 3.24Å; D884-T891 WeakPolarHBondContact OD2-CG2 3.44Å
892C89.9Confident85.8Confident50 Ų5075.8 Ų75.834%0.33838%0.376SS..SBendtrans-86.6-14.8175.795.30000113.1C883 D884 Y890C883-C892 HydrophobicContact CB-CB 3.62Å; C883-C892 WeakPolarHBondContact CB-SG 3.31Å; C883-C892 WeakPolarHBondContact SG-CB 3.41Å; C883-C892 CovalentContact SG-SG 2.01Å; C883-C892 PolarHBondContact SG-SG 3.1Å; D884-C892 PolarHBondContact OD1-N 3.16Å; Y890-C892 HydrophobicContact CE1-CB 3.79Å; Y890-C892 WeakPolarHBondContact OH-CB 3.13Å
893V89.2Confident86.3Confident14 Ų1471.5 Ų71.59%0.08535%0.352CS..SBendtrans-105.5123.3177.3-172.70000109.9V876 I879 F897V876-V893 HydrophobicContact CG1-CG1 4.04Å; V876-V893 HydrophobicContact CG2-CG1 4.49Å; I879-V893 HydrophobicContact CB-CG2 4.48Å; I879-V893 HydrophobicContact CG2-CG2 3.82Å; V893-F897 HydrophobicContact CG1-CD1 3.84Å
894N89.5Confident86.7Confident99 Ų9972.3 Ų72.353%0.52935%0.353SS..  trans-59.8135.4175.6174-91.3000112.3I896 F897 Y898N894-I896 VanDerWaalsContact C-N 3.31Å; N894-I896 PolarHBondContact O-N 3.08Å; N894-I896 WeakPolarHBondContact OD1-CB 3.15Å; N894-I896 PolarHBondContact OD1-N 2.68Å; N894-F897 HydrophobicContact CB-CB 4.49Å; N894-F897 WeakPolarHBondContact O-CA 3.44Å; N894-F897 WeakPolarHBondContact O-CB 3.35Å; N894-F897 PolarHBondContact O-N 2.84Å; N894-F897 PolarHBondContact OD1-N 3.41Å; N894-Y898 PolarHBondContact O-N 2.82Å
895D85.9Confident87.3Confident65 Ų6570.5 Ų70.535%0.34834%0.344SS..Hα-helixtrans-65-28.9-171.9-53.9-63.7000114.3V147 S899V147-D895 HydrophobicContact CG2-CB 4.47Å; D895-S899 VanDerWaalsContact O-CB 3.26Å; D895-S899 WeakPolarHBondContact O-CB 3Å; D895-S899 PolarHBondContact O-N 3.37Å; D895-S899 PolarHBondContact O-OG 3.16Å
896I88Confident88.3Confident86 Ų8668.5 Ų68.544%0.44133%0.333SS..Hα-helixtrans-68.9-41.8174.4-52.9176.8000109.3Y149 N894 S899 V900Y149-I896 HydrophobicContact CE1-CG1 4.47Å; N894-I896 VanDerWaalsContact C-N 3.31Å; N894-I896 PolarHBondContact O-N 3.08Å; N894-I896 WeakPolarHBondContact OD1-CB 3.15Å; N894-I896 PolarHBondContact OD1-N 2.68Å; I896-S899 PolarHBondContact O-N 2.89Å; I896-V900 HydrophobicContact CG2-CG2 4.44Å; I896-V900 WeakPolarHBondContact O-CB 3.4Å; I896-V900 VanDerWaalsContact O-CG2 3.26Å; I896-V900 WeakPolarHBondContact O-CG2 3.5Å; I896-V900 PolarHBondContact O-N 2.64Å
897F92.1Very high89.4Confident119 Ų11967.4 Ų67.452%0.52233%0.327SS..Hα-helixtrans-66.1-43.5175.6-173-108000111.8V876 V893 N894 S899 V900 T901V876-F897 HydrophobicContact CG2-CD1 3.92Å; V876-F897 HydrophobicContact CG2-CE1 3.48Å; V876-F897 VanDerWaalsContact CG2-CE1 3.48Å; V876-F897 HydrophobicContact CG2-CZ 4.45Å; V893-F897 HydrophobicContact CG1-CD1 3.84Å; N894-F897 HydrophobicContact CB-CB 4.49Å; N894-F897 WeakPolarHBondContact O-CA 3.44Å; N894-F897 WeakPolarHBondContact O-CB 3.35Å; N894-F897 PolarHBondContact O-N 2.84Å; N894-F897 PolarHBondContact OD1-N 3.41Å; F897-S899 PolarHBondContact O-N 3.42Å; F897-V900 PolarHBondContact O-N 3.09Å; F897-T901 HydrophobicContact CE1-CG2 4.22Å; F897-T901 HydrophobicContact CE2-CG2 4.46Å; F897-T901 HydrophobicContact CZ-CG2 4.17Å; F897-T901 WeakPolarHBondContact O-CG2 3.15Å; F897-T901 PolarHBondContact O-N 3.28Å; F897-T901 PolarHBondContact O-OG1 2.77Å
898Y91.8Very high90.4Very high42 Ų4260.2 Ų60.217%0.16529%0.293CS..Hα-helixtrans-53.7-53.7171.3179.8-91.2000110.7Y873 V876 I877 K880 N894 V900 T901 Y902Y873-Y898 AromaticContact CE2-CE2 3.98Å; Y873-Y898 HydrophobicContact CE2-CE2 3.98Å; Y873-Y898 AromaticContact CE2-CZ 4Å; V876-Y898 HydrophobicContact CG1-CD2 3.59Å; V876-Y898 HydrophobicContact CG1-CE2 4.27Å; V876-Y898 HydrophobicContact CG1-CG 4.49Å; I877-Y898 HydrophobicContact CD1-CE2 4.38Å; K880-Y898 HydrophobicContact CD-CD2 4.2Å; K880-Y898 HydrophobicContact CD-CE2 4.02Å; N894-Y898 PolarHBondContact O-N 2.82Å; Y898-V900 PolarHBondContact O-N 3.08Å; Y898-T901 PolarHBondContact O-N 3.21Å; Y898-T901 VanDerWaalsContact O-N 3.1Å; Y898-T901 PolarHBondContact O-OG1 2.95Å; Y898-Y902 AromaticContact CE1-CD2 3.86Å; Y898-Y902 HydrophobicContact CE1-CD2 3.86Å; Y898-Y902 AromaticContact CZ-CD2 3.94Å; Y898-Y902 PolarHBondContact O-N 2.92Å
899S91.7Very high91.2Very high12 Ų1252.8 Ų52.88%0.08426%0.261CS..Hα-helixtrans-60.9-40.4-179-56.40000113.1Y211 L215 D895 I896 F897 Y902 W903Y211-S899 WeakPolarHBondContact OH-CA 3.46Å; L215-S899 WeakPolarHBondContact CD2-OG 3.46Å; D895-S899 VanDerWaalsContact O-CB 3.26Å; D895-S899 WeakPolarHBondContact O-CB 3Å; D895-S899 PolarHBondContact O-N 3.37Å; D895-S899 PolarHBondContact O-OG 3.16Å; I896-S899 PolarHBondContact O-N 2.89Å; F897-S899 PolarHBondContact O-N 3.42Å; S899-Y902 PolarHBondContact O-N 3.33Å; S899-W903 VanDerWaalsContact O-CD1 3.3Å; S899-W903 PolarHBondContact O-N 3.34Å
900V93Very high92.1Very high87 Ų8745.2 Ų45.253%0.52723%0.229SC..Hα-helixtrans-63.6-42.1174.8166.40000111.1I896 F897 Y898 L904I896-V900 HydrophobicContact CG2-CG2 4.44Å; I896-V900 WeakPolarHBondContact O-CB 3.4Å; I896-V900 VanDerWaalsContact O-CG2 3.26Å; I896-V900 WeakPolarHBondContact O-CG2 3.5Å; I896-V900 PolarHBondContact O-N 2.64Å; F897-V900 PolarHBondContact O-N 3.09Å; Y898-V900 PolarHBondContact O-N 3.08Å; V900-L904 VanDerWaalsContact O-CB 3.26Å; V900-L904 WeakPolarHBondContact O-CB 3.33Å; V900-L904 PolarHBondContact O-N 3.32Å
901T95.5Very high92.7Very high3 Ų341.7 Ų41.72%0.01822%0.218CC..Hα-helixtrans-68.5-34.1175.362.70000113.1P872 V876 F897 Y898 L904 C905P872-T901 HydrophobicContact CB-CG2 3.78Å; V876-T901 HydrophobicContact CG2-CG2 3.96Å; F897-T901 HydrophobicContact CE1-CG2 4.22Å; F897-T901 HydrophobicContact CE2-CG2 4.46Å; F897-T901 HydrophobicContact CZ-CG2 4.17Å; F897-T901 WeakPolarHBondContact O-CG2 3.15Å; F897-T901 PolarHBondContact O-N 3.28Å; F897-T901 PolarHBondContact O-OG1 2.77Å; Y898-T901 PolarHBondContact O-N 3.21Å; Y898-T901 VanDerWaalsContact O-N 3.1Å; Y898-T901 PolarHBondContact O-OG1 2.95Å; T901-L904 WeakPolarHBondContact O-CB 3.16Å; T901-L904 PolarHBondContact O-N 3.48Å; T901-C905 PolarHBondContact O-N 3.04Å
902Y94.7Very high93Very high17 Ų1739.1 Ų39.17%0.06720%0.202CC..Hα-helixtrans-65.3-48.7175.2-153.2-68.6000111.2Y211 D234 Y873 Y898 S899 L904 C905 Y906Y211-Y902 AromaticContact CD1-CD1 3.88Å; Y211-Y902 HydrophobicContact CD1-CD1 3.88Å; Y211-Y902 HydrophobicContact CD1-CE1 4.36Å; Y211-Y902 AromaticContact CE1-CD1 3.55Å; Y211-Y902 HydrophobicContact CE1-CD1 3.55Å; Y211-Y902 HydrophobicContact CE1-CE1 4.37Å; Y211-Y902 AromaticContact CE1-CG 3.77Å; Y211-Y902 HydrophobicContact CE1-CG 3.77Å; Y211-Y902 HydrophobicContact CE2-CD1 4.39Å; Y211-Y902 HydrophobicContact CE2-CG 4.4Å; Y211-Y902 HydrophobicContact CG-CD1 4.41Å; Y211-Y902 HydrophobicContact CG-CE1 4.49Å; Y211-Y902 AromaticContact CZ-CD1 3.86Å; Y211-Y902 AromaticContact CZ-CG 3.71Å; D234-Y902 PolarHBondContact OD2-OH 2.95Å; Y873-Y902 HydrophobicContact CD2-CD2 4.04Å; Y873-Y902 AromaticContact CE2-CD2 3.44Å; Y873-Y902 HydrophobicContact CE2-CD2 3.44Å; Y873-Y902 VanDerWaalsContact CE2-CD2 3.44Å; Y873-Y902 AromaticContact CE2-CE2 3.83Å; Y873-Y902 HydrophobicContact CE2-CE2 3.83Å; Y873-Y902 HydrophobicContact CE2-CG 4.35Å; Y873-Y902 AromaticContact CZ-CD2 3.93Å; Y873-Y902 AromaticContact CZ-CE2 3.83Å; Y898-Y902 AromaticContact CE1-CD2 3.86Å; Y898-Y902 HydrophobicContact CE1-CD2 3.86Å; Y898-Y902 AromaticContact CZ-CD2 3.94Å; Y898-Y902 PolarHBondContact O-N 2.92Å; S899-Y902 PolarHBondContact O-N 3.33Å; Y902-L904 VanDerWaalsContact C-N 3.27Å; Y902-L904 PolarHBondContact O-N 2.9Å; Y902-C905 WeakPolarHBondContact O-CB 3.43Å; Y902-C905 PolarHBondContact O-N 3.48Å; Y902-Y906 HydrophobicContact CD1-CE1 4.35Å; Y902-Y906 HydrophobicContact CD1-CE2 4.12Å; Y902-Y906 AromaticContact CE1-CE1 3.83Å; Y902-Y906 HydrophobicContact CE1-CE1 3.83Å; Y902-Y906 HydrophobicContact CE1-CE2 4.1Å; Y902-Y906 AromaticContact CE1-CZ 3.54Å; Y902-Y906 WeakPolarHBondContact CE1-OH 3.26Å; Y902-Y906 PolarHBondContact O-N 2.86Å
903W95.4Very high93.1Very high36 Ų3637.1 Ų37.114%0.13619%0.189CC..Hα-helixtrans-62-33.4173-84.3102.4000112.7T161 V164 M208 Y211 T212 S899 C905 Y906 M907T161-W903 HydrophobicContact CG2-CD2 4.24Å; T161-W903 HydrophobicContact CG2-CE3 4.41Å; T161-W903 HydrophobicContact CG2-CH2 3.53Å; T161-W903 HydrophobicContact CG2-CZ2 3.28Å; T161-W903 HydrophobicContact CG2-CZ3 4.08Å; V164-W903 HydrophobicContact CG1-CZ3 4.33Å; M208-W903 HydrophobicContact CB-CH2 3.8Å; M208-W903 HydrophobicContact CB-CZ3 4.03Å; M208-W903 HydrophobicContact CG-CH2 4.05Å; M208-W903 HydrophobicContact CG-CZ3 3.75Å; M208-W903 WeakPolarHBondContact O-CH2 3.39Å; M208-W903 HydrophobicContact SD-CZ3 4.31Å; Y211-W903 AromaticContact CD1-CE2 3.72Å; Y211-W903 AromaticContact CD1-CZ2 3.96Å; Y211-W903 HydrophobicContact CD1-CZ2 3.96Å; Y211-W903 AromaticContact CD1-NE1 3.48Å; Y211-W903 AromaticContact CE1-CD1 3.67Å; Y211-W903 HydrophobicContact CE1-CG 4.44Å; Y211-W903 AromaticContact CE1-NE1 3.44Å; T212-W903 WeakPolarHBondContact OG1-CZ2 3.29Å; S899-W903 VanDerWaalsContact O-CD1 3.3Å; S899-W903 PolarHBondContact O-N 3.34Å; W903-C905 VanDerWaalsContact C-N 3.28Å; W903-C905 PolarHBondContact O-N 2.87Å; W903-Y906 HydrophobicContact CD2-CD2 4.09Å; W903-Y906 AromaticContact CE3-CD2 3.74Å; W903-Y906 HydrophobicContact CE3-CD2 3.74Å; W903-Y906 HydrophobicContact CH2-CD2 4.15Å; W903-Y906 HydrophobicContact CH2-CE2 4.47Å; W903-Y906 HydrophobicContact CZ2-CD2 4.48Å; W903-Y906 AromaticContact CZ3-CD2 3.79Å; W903-Y906 HydrophobicContact CZ3-CD2 3.79Å; W903-Y906 CarbonylContact O-C 3.57Å; W903-Y906 WeakPolarHBondContact O-CB 3.37Å; W903-Y906 PolarHBondContact O-N 3.31Å; W903-Y906 VanDerWaalsContact O-N 3.14Å; W903-M907 WeakPolarHBondContact O-CG 3.18Å; W903-M907 PolarHBondContact O-N 3.27Å
904L95.6Very high93.2Very high54 Ų5442.2 Ų42.228%0.28321%0.21SC..Hα-helixtrans-64.7-30.1176.7-176.353.8000112.6C869 P872 V900 T901 Y902C869-L904 VanDerWaalsContact CA-O 3.31Å; C869-L904 WeakPolarHBondContact CA-O 3.37Å; C869-L904 WeakPolarHBondContact CB-O 3.39Å; C869-L904 CarbonylContact O-C 3.6Å; C869-L904 PolarHBondContact SG-O 2.93Å; P872-L904 HydrophobicContact CB-CD2 4.2Å; P872-L904 HydrophobicContact CG-CD2 3.83Å; V900-L904 VanDerWaalsContact O-CB 3.26Å; V900-L904 WeakPolarHBondContact O-CB 3.33Å; V900-L904 PolarHBondContact O-N 3.32Å; T901-L904 WeakPolarHBondContact O-CB 3.16Å; T901-L904 PolarHBondContact O-N 3.48Å; Y902-L904 VanDerWaalsContact C-N 3.27Å; Y902-L904 PolarHBondContact O-N 2.9Å
905C96.4Very high93.2Very high4 Ų438.2 Ų38.23%0.02719%0.19CC..Hα-helixtrans-64.2-52.2166.5-73.60000111.8C869 W870 Y873 T901 Y902 W903 M907 N908C869-C905 PolarHBondContact O-N 2.68Å; C869-C905 PolarHBondContact O-SG 3.45Å; W870-C905 HydrophobicContact CD2-CB 4.36Å; W870-C905 HydrophobicContact CE3-CB 3.85Å; W870-C905 VanDerWaalsContact CE3-SG 3.53Å; W870-C905 HydrophobicContact CZ3-CB 3.94Å; Y873-C905 WeakPolarHBondContact CB-SG 3.35Å; T901-C905 PolarHBondContact O-N 3.04Å; Y902-C905 WeakPolarHBondContact O-CB 3.43Å; Y902-C905 PolarHBondContact O-N 3.48Å; W903-C905 VanDerWaalsContact C-N 3.28Å; W903-C905 PolarHBondContact O-N 2.87Å; C905-M907 PolarHBondContact O-N 2.9Å; C905-N908 WeakPolarHBondContact O-CB 3.44Å; C905-N908 PolarHBondContact O-N 3.39Å
906Y96.9Very high93.3Very high3 Ų335.2 Ų35.21%0.01217%0.174CC..Hα-helixtrans-56.8-31.4177.5-73.8-14.7000113I203 S207 M208 Y211 D234 Y902 W903 N908 S909 P910I203-Y906 HydrophobicContact CG2-CD1 3.78Å; I203-Y906 HydrophobicContact CG2-CE1 4.18Å; I203-Y906 HydrophobicContact CG2-CG 4.36Å; S207-Y906 VanDerWaalsContact C-OH 3.27Å; S207-Y906 VanDerWaalsContact CB-OH 3.3Å; S207-Y906 WeakPolarHBondContact CB-OH 3.03Å; S207-Y906 PolarHBondContact O-OH 2.99Å; M208-Y906 HydrophobicContact CE-CG 4.43Å; M208-Y906 VanDerWaalsContact CE-O 3.29Å; M208-Y906 WeakPolarHBondContact CE-O 3.03Å; M208-Y906 HydrophobicContact CG-CD2 3.75Å; M208-Y906 HydrophobicContact CG-CE2 4.17Å; M208-Y906 HydrophobicContact CG-CG 4.09Å; Y211-Y906 HydrophobicContact CD1-CD2 4.41Å; Y211-Y906 AromaticContact CD1-CE2 3.7Å; Y211-Y906 HydrophobicContact CD1-CE2 3.7Å; Y211-Y906 HydrophobicContact CG-CE2 4.1Å; D234-Y906 PolarHBondContact OD2-OH 3.11Å; D234-Y906 VanDerWaalsContact OD2-OH 3.09Å; Y902-Y906 HydrophobicContact CD1-CE1 4.35Å; Y902-Y906 HydrophobicContact CD1-CE2 4.12Å; Y902-Y906 AromaticContact CE1-CE1 3.83Å; Y902-Y906 HydrophobicContact CE1-CE1 3.83Å; Y902-Y906 HydrophobicContact CE1-CE2 4.1Å; Y902-Y906 AromaticContact CE1-CZ 3.54Å; Y902-Y906 WeakPolarHBondContact CE1-OH 3.26Å; Y902-Y906 PolarHBondContact O-N 2.86Å; W903-Y906 HydrophobicContact CD2-CD2 4.09Å; W903-Y906 AromaticContact CE3-CD2 3.74Å; W903-Y906 HydrophobicContact CE3-CD2 3.74Å; W903-Y906 HydrophobicContact CH2-CD2 4.15Å; W903-Y906 HydrophobicContact CH2-CE2 4.47Å; W903-Y906 HydrophobicContact CZ2-CD2 4.48Å; W903-Y906 AromaticContact CZ3-CD2 3.79Å; W903-Y906 HydrophobicContact CZ3-CD2 3.79Å; W903-Y906 CarbonylContact O-C 3.57Å; W903-Y906 WeakPolarHBondContact O-CB 3.37Å; W903-Y906 PolarHBondContact O-N 3.31Å; W903-Y906 VanDerWaalsContact O-N 3.14Å; Y906-N908 PolarHBondContact O-N 3.3Å; Y906-N908 VanDerWaalsContact O-N 3.13Å; Y906-S909 WeakPolarHBondContact O-CB 3.37Å; Y906-S909 PolarHBondContact O-N 3.18Å; Y906-S909 VanDerWaalsContact O-N 3.14Å; Y906-P910 WeakPolarHBondContact O-CD 3.37Å
907M95.7Very high93.2Very high66 Ų6632.4 Ų32.433%0.32516%0.163SC..THydrogen-bonded Turntrans-62.8-13.4175.8-73.3-56.4-62.400114.5V164 W903 C905 S909 P910 I911V164-M907 HydrophobicContact CG1-SD 3.71Å; V164-M907 HydrophobicContact CG2-SD 4.03Å; W903-M907 WeakPolarHBondContact O-CG 3.18Å; W903-M907 PolarHBondContact O-N 3.27Å; C905-M907 PolarHBondContact O-N 2.9Å; M907-S909 VanDerWaalsContact C-N 3.28Å; M907-S909 PolarHBondContact O-N 3.03Å; M907-P910 HydrophobicContact CE-CG 3.99Å; M907-P910 WeakPolarHBondContact O-CD 3.38Å; M907-P910 WeakPolarHBondContact O-CG 3.28Å; M907-P910 HydrophobicContact SD-CG 4.09Å; M907-I911 VanDerWaalsContact O-CD1 3.22Å; M907-I911 WeakPolarHBondContact O-CD1 3.45Å; M907-I911 WeakPolarHBondContact O-CG1 3.31Å
908N94.5Very high92.8Very high1 Ų133.7 Ų33.71%0.00517%0.174CC..Hα-helixtrans-60.2-39170.8-174.974000111.9C869 W870 C905 Y906 I911 N912C869-N908 HydrophobicContact CB-CB 3.85Å; W870-N908 VanDerWaalsContact NE1-CG 3.32Å; W870-N908 PolarHBondContact NE1-ND2 3.1Å; C905-N908 WeakPolarHBondContact O-CB 3.44Å; C905-N908 PolarHBondContact O-N 3.39Å; Y906-N908 PolarHBondContact O-N 3.3Å; Y906-N908 VanDerWaalsContact O-N 3.13Å; N908-I911 PolarHBondContact O-N 3.09Å; N908-N912 PolarHBondContact O-ND2 2.76Å
909S96.1Very high92.2Very high1 Ų132.3 Ų32.31%0.00717%0.172CC..Hα-helixtrans-66.9-46.5-175.5-55.10000115N172 Y906 M907 I911 P913N172-S909 PolarHBondContact ND2-O 3.49Å; Y906-S909 WeakPolarHBondContact O-CB 3.37Å; Y906-S909 PolarHBondContact O-N 3.18Å; Y906-S909 VanDerWaalsContact O-N 3.14Å; M907-S909 VanDerWaalsContact C-N 3.28Å; M907-S909 PolarHBondContact O-N 3.03Å; S909-I911 VanDerWaalsContact C-N 3.32Å; S909-I911 PolarHBondContact O-N 3.4Å; S909-P913 WeakPolarHBondContact O-CD 3.43Å
910P95.7Very high91.6Very high7 Ų733.3 Ų33.35%0.04518%0.176CC..Hα-helixtrans-70.5-22.9173.924.7-32.7000113.5V164 I167 T168 Y906 M907 N912 P913 F914V164-P910 HydrophobicContact CG1-CG 4.37Å; I167-P910 HydrophobicContact CG2-CB 4.19Å; T168-P910 WeakPolarHBondContact OG1-CB 3.31Å; T168-P910 WeakPolarHBondContact OG1-CD 3.24Å; Y906-P910 WeakPolarHBondContact O-CD 3.37Å; M907-P910 HydrophobicContact CE-CG 3.99Å; M907-P910 WeakPolarHBondContact O-CD 3.38Å; M907-P910 WeakPolarHBondContact O-CG 3.28Å; M907-P910 HydrophobicContact SD-CG 4.09Å; P910-N912 VanDerWaalsContact C-N 3.33Å; P910-N912 PolarHBondContact O-N 3.01Å; P910-P913 WeakPolarHBondContact O-CD 3.21Å; P910-F914 WeakPolarHBondContact O-CD2 3.04Å; P910-F914 WeakPolarHBondContact O-CE2 3.41Å
911I94.4Very high91Very high54 Ų5431.9 Ų31.928%0.27717%0.173SC..Hα-helixtrans-69.6-30.1179.3-71.9169.4000112A865 M907 N908 S909 F914 C915A865-I911 HydrophobicContact CB-CG2 3.83Å; M907-I911 VanDerWaalsContact O-CD1 3.22Å; M907-I911 WeakPolarHBondContact O-CD1 3.45Å; M907-I911 WeakPolarHBondContact O-CG1 3.31Å; N908-I911 PolarHBondContact O-N 3.09Å; S909-I911 VanDerWaalsContact C-N 3.32Å; S909-I911 PolarHBondContact O-N 3.4Å; I911-F914 PolarHBondContact O-N 3.44Å; I911-C915 PolarHBondContact O-N 2.82Å; I911-C915 PolarHBondContact O-SG 3.05Å
912N91.7Very high90.4Very high1 Ų135.9 Ų35.91%0.00519%0.192CC..Hα-helixtrans-59.9-50.4-174.4-76.3-36.2000114L196 D200 N908 P910 F914 C915 Y916L196-N912 HydrophobicContact CD2-CB 4.48Å; L196-N912 WeakPolarHBondContact CD2-ND2 3.39Å; D200-N912 PolarHBondContact OD2-ND2 3.49Å; N908-N912 PolarHBondContact O-ND2 2.76Å; P910-N912 VanDerWaalsContact C-N 3.33Å; P910-N912 PolarHBondContact O-N 3.01Å; N912-F914 VanDerWaalsContact C-N 3.32Å; N912-F914 PolarHBondContact O-N 3.18Å; N912-C915 WeakPolarHBondContact O-CB 3.45Å; N912-C915 PolarHBondContact O-N 3.46Å; N912-C915 VanDerWaalsContact O-N 3.1Å; N912-Y916 HydrophobicContact CB-CE2 4.01Å; N912-Y916 WeakPolarHBondContact O-CD2 3.5Å; N912-Y916 PolarHBondContact O-N 3.45Å
913P92.3Very high89.9Confident9 Ų935 Ų356%0.05819%0.189CC..Hα-helixtrans-52.1-42.6173.5-30.636.1000114.5G171 N172 V175 S909 P910 Y916 A917G171-P913 WeakPolarHBondContact O-CG 3.25Å; N172-P913 WeakPolarHBondContact OD1-CD 3.24Å; N172-P913 WeakPolarHBondContact OD1-CG 3.49Å; V175-P913 HydrophobicContact CG2-CB 4.4Å; V175-P913 HydrophobicContact CG2-CG 4.32Å; S909-P913 WeakPolarHBondContact O-CD 3.43Å; P910-P913 WeakPolarHBondContact O-CD 3.21Å; P913-Y916 PolarHBondContact O-N 2.91Å; P913-A917 WeakPolarHBondContact O-CB 3.5Å; P913-A917 PolarHBondContact O-N 2.97Å
914F90.4Very high89.6Confident121 Ų12138.9 Ų38.953%0.53121%0.206SC..Hα-helixtrans-66.9-41.3176.9-60.7-75.5000111.8I167 P910 I911 N912 Y916 A917 L918I167-F914 HydrophobicContact CG2-CE2 4.27Å; I167-F914 HydrophobicContact CG2-CZ 4.39Å; P910-F914 WeakPolarHBondContact O-CD2 3.04Å; P910-F914 WeakPolarHBondContact O-CE2 3.41Å; I911-F914 PolarHBondContact O-N 3.44Å; N912-F914 VanDerWaalsContact C-N 3.32Å; N912-F914 PolarHBondContact O-N 3.18Å; F914-Y916 VanDerWaalsContact C-N 3.29Å; F914-Y916 PolarHBondContact O-N 3.36Å; F914-A917 PolarHBondContact O-N 3.21Å; F914-L918 WeakPolarHBondContact O-CB 3.46Å; F914-L918 VanDerWaalsContact O-CG 3.29Å; F914-L918 WeakPolarHBondContact O-CG 3.44Å; F914-L918 PolarHBondContact O-N 3.14Å
915C89.1Confident89.2Confident15 Ų1543.3 Ų43.310%0.10122%0.223CC..Hα-helixtrans-59.1-40174.7-71.50000112I862 I911 N912 A919I862-C915 HydrophobicContact CG1-CB 4.22Å; I911-C915 PolarHBondContact O-N 2.82Å; I911-C915 PolarHBondContact O-SG 3.05Å; N912-C915 WeakPolarHBondContact O-CB 3.45Å; N912-C915 PolarHBondContact O-N 3.46Å; N912-C915 VanDerWaalsContact O-N 3.1Å; C915-A919 VanDerWaalsContact O-CB 3.22Å; C915-A919 WeakPolarHBondContact O-CB 3.44Å; C915-A919 PolarHBondContact O-N 3.11Å; C915-A919 VanDerWaalsContact O-N 3.07Å
916Y87.5Confident88.8Confident2 Ų243.3 Ų43.31%0.00822%0.223CC..Hα-helixtrans-69.8-44175.6-58.6-45.8000112.7V175 I193 L196 I862 N912 P913 F914 L918 N920V175-Y916 HydrophobicContact CG1-CD2 4.36Å; V175-Y916 HydrophobicContact CG1-CE2 4.47Å; V175-Y916 HydrophobicContact CG2-CD2 3.87Å; V175-Y916 HydrophobicContact CG2-CE2 4.44Å; I193-Y916 HydrophobicContact CD1-CD1 4.26Å; I193-Y916 HydrophobicContact CD1-CE1 3.83Å; I193-Y916 HydrophobicContact CG1-CE1 3.87Å; I193-Y916 HydrophobicContact CG2-CD1 4.38Å; I193-Y916 HydrophobicContact CG2-CD2 4.17Å; I193-Y916 HydrophobicContact CG2-CE1 3.93Å; I193-Y916 HydrophobicContact CG2-CE2 3.66Å; L196-Y916 VanDerWaalsContact CD2-OH 3.25Å; L196-Y916 WeakPolarHBondContact CD2-OH 3.49Å; I862-Y916 HydrophobicContact CD1-CE1 3.93Å; N912-Y916 HydrophobicContact CB-CE2 4.01Å; N912-Y916 WeakPolarHBondContact O-CD2 3.5Å; N912-Y916 PolarHBondContact O-N 3.45Å; P913-Y916 PolarHBondContact O-N 2.91Å; F914-Y916 VanDerWaalsContact C-N 3.29Å; F914-Y916 PolarHBondContact O-N 3.36Å; Y916-L918 PolarHBondContact O-N 3.49Å; Y916-N920 WeakPolarHBondContact O-CB 3.36Å; Y916-N920 PolarHBondContact O-N 3.14Å
917A86.7Confident88.4Confident26 Ų2644 Ų4422%0.21523%0.226CC..Hα-helixtrans-62.5-39.8178.100000113.3P913 F914 K924 F927P913-A917 WeakPolarHBondContact O-CB 3.5Å; P913-A917 PolarHBondContact O-N 2.97Å; F914-A917 PolarHBondContact O-N 3.21Å; A917-K924 WeakPolarHBondContact O-CB 3.48Å; A917-F927 HydrophobicContact CB-CD2 3.81Å; A917-F927 HydrophobicContact CB-CE2 3.87Å
918L84.5Confident88Confident146 Ų14644.8 Ų44.876%0.76423%0.231SC*.Hα-helixtrans-80.6-38.6-177.9-67.2173.2000112.6F914 Y916F914-L918 WeakPolarHBondContact O-CB 3.46Å; F914-L918 VanDerWaalsContact O-CG 3.29Å; F914-L918 WeakPolarHBondContact O-CG 3.44Å; F914-L918 PolarHBondContact O-N 3.14Å; Y916-L918 PolarHBondContact O-N 3.49Å
919A77.7Confident87.6Confident13 Ų1347 Ų4711%0.10724%0.24CC..Hα-helixtrans-100.9-27.6-170.400000114.7T858 C915T858-A919 HydrophobicContact CG2-CB 3.93Å; T858-A919 VanDerWaalsContact OG1-CB 3.23Å; T858-A919 WeakPolarHBondContact OG1-CB 3.17Å; C915-A919 VanDerWaalsContact O-CB 3.22Å; C915-A919 WeakPolarHBondContact O-CB 3.44Å; C915-A919 PolarHBondContact O-N 3.11Å; C915-A919 VanDerWaalsContact O-N 3.07Å
920N79.5Confident87.2Confident34 Ų3448.4 Ų48.418%0.18225%0.247CC..  trans-106.4107.8179.2-169.9-18.2000112.2Y916 Q922 F923 K924Y916-N920 WeakPolarHBondContact O-CB 3.36Å; Y916-N920 PolarHBondContact O-N 3.14Å; N920-Q922 PolarHBondContact O-N 3.5Å; N920-Q922 VanDerWaalsContact O-N 3.15Å; N920-Q922 PolarHBondContact OD1-N 2.93Å; N920-F923 HydrophobicContact CB-CB 4.4Å; N920-F923 HydrophobicContact CB-CD2 4.04Å; N920-F923 WeakPolarHBondContact ND2-CD2 3.43Å; N920-F923 PolarHBondContact O-N 3.41Å; N920-K924 PolarHBondContact O-N 2.72Å
921A81.1Confident86.8Confident56 Ų5655.1 Ų55.146%0.46328%0.275SS..Hα-helixtrans-64.7-15.7-179.400000115K925A921-K925 WeakPolarHBondContact O-CG 3.43Å; A921-K925 PolarHBondContact O-N 3.45Å
922Q82.8Confident86.5Confident87 Ų8762.2 Ų62.241%0.40730%0.298SS..Hα-helixtrans-77.2-54.1170.5-66.2-179.8-90.200110.3A184 L185 N920 K924 K925 T926A184-Q922 PolarHBondContact O-NE2 3.4Å; L185-Q922 HydrophobicContact CD2-CB 3.57Å; L185-Q922 HydrophobicContact CG-CB 4.41Å; N920-Q922 PolarHBondContact O-N 3.5Å; N920-Q922 VanDerWaalsContact O-N 3.15Å; N920-Q922 PolarHBondContact OD1-N 2.93Å; Q922-K924 VanDerWaalsContact C-N 3.3Å; Q922-K924 PolarHBondContact O-N 3.15Å; Q922-K925 WeakPolarHBondContact O-CB 3.29Å; Q922-K925 PolarHBondContact O-N 3.45Å; Q922-T926 PolarHBondContact O-N 3.37Å; Q922-T926 PolarHBondContact O-OG1 2.98Å
923F84.9Confident86Confident0 Ų064.1 Ų64.10%032%0.318CS..Hα-helixtrans-56.3-42.6173.9-80.1-75.6000111.8V175 L185 I193 N920 K925 T926 F927V175-F923 HydrophobicContact CG1-CE1 4.06Å; V175-F923 HydrophobicContact CG1-CZ 4.38Å; L185-F923 HydrophobicContact CD1-CD1 3.7Å; L185-F923 HydrophobicContact CD1-CE1 3.72Å; L185-F923 HydrophobicContact CD1-CG 4.13Å; L185-F923 HydrophobicContact CD1-CZ 4.14Å; L185-F923 HydrophobicContact CD2-CD2 4.01Å; L185-F923 HydrophobicContact CD2-CE2 3.94Å; L185-F923 HydrophobicContact CD2-CG 4.34Å; L185-F923 HydrophobicContact CD2-CZ 4.22Å; I193-F923 HydrophobicContact CD1-CE2 4.21Å; I193-F923 HydrophobicContact CG2-CE2 4.25Å; I193-F923 HydrophobicContact CG2-CZ 3.93Å; N920-F923 HydrophobicContact CB-CB 4.4Å; N920-F923 HydrophobicContact CB-CD2 4.04Å; N920-F923 WeakPolarHBondContact ND2-CD2 3.43Å; N920-F923 PolarHBondContact O-N 3.41Å; F923-K925 VanDerWaalsContact C-N 3.3Å; F923-K925 PolarHBondContact O-N 3.38Å; F923-T926 PolarHBondContact O-N 3.4Å; F923-T926 VanDerWaalsContact O-N 3.15Å; F923-F927 AromaticContact CD1-CE1 3.97Å; F923-F927 HydrophobicContact CD1-CE1 3.97Å; F923-F927 HydrophobicContact CD1-CZ 4.35Å; F923-F927 WeakPolarHBondContact O-CB 3.42Å; F923-F927 WeakPolarHBondContact O-CD1 3.47Å; F923-F927 WeakPolarHBondContact O-CG 3.44Å; F923-F927 PolarHBondContact O-N 2.85Å
924K88.2Confident85.3Confident116 Ų11666.5 Ų66.550%0.50433%0.331SS..Hα-helixtrans-55.4-42.6174.7-166.7177178.71780112.6A917 N920 Q922 L928A917-K924 WeakPolarHBondContact O-CB 3.48Å; N920-K924 PolarHBondContact O-N 2.72Å; Q922-K924 VanDerWaalsContact C-N 3.3Å; Q922-K924 PolarHBondContact O-N 3.15Å; K924-L928 HydrophobicContact CG-CD1 4.09Å; K924-L928 WeakPolarHBondContact O-CB 3.36Å; K924-L928 VanDerWaalsContact O-CG 3.24Å; K924-L928 WeakPolarHBondContact O-CG 3.13Å; K924-L928 PolarHBondContact O-N 2.92Å
925K87.7Confident84.6Confident148 Ų14866.1 Ų66.164%0.64333%0.329SS*.Hα-helixtrans-66.6-45.5176.3-80.7-178.5170.4-163.90111.7A921 Q922 F923 L928 R929A921-K925 WeakPolarHBondContact O-CG 3.43Å; A921-K925 PolarHBondContact O-N 3.45Å; Q922-K925 WeakPolarHBondContact O-CB 3.29Å; Q922-K925 PolarHBondContact O-N 3.45Å; F923-K925 VanDerWaalsContact C-N 3.3Å; F923-K925 PolarHBondContact O-N 3.38Å; K925-L928 PolarHBondContact O-N 2.96Å; K925-R929 WeakPolarHBondContact O-CB 3.48Å; K925-R929 PolarHBondContact O-N 3.08Å
926T86.8Confident83.6Confident4 Ų475.7 Ų75.73%0.02536%0.363CS..Hα-helixtrans-65.4-44.2-179.1-50.10000111.4E182 Q922 F923 R929 I930E182-T926 HydrophobicContact CB-CG2 4Å; Q922-T926 PolarHBondContact O-N 3.37Å; Q922-T926 PolarHBondContact O-OG1 2.98Å; F923-T926 PolarHBondContact O-N 3.4Å; F923-T926 VanDerWaalsContact O-N 3.15Å; T926-R929 WeakPolarHBondContact O-CB 3.38Å; T926-R929 PolarHBondContact O-N 2.84Å; T926-R929 VanDerWaalsContact O-N 3.15Å; T926-I930 HydrophobicContact CG2-CD1 4.03Å; T926-I930 WeakPolarHBondContact O-CG1 3.48Å; T926-I930 PolarHBondContact O-N 3.3Å
927F88.8Confident82.3Confident16 Ų1682.8 Ų82.87%0.0739%0.39CS..Hα-helixtrans-58.2-49.8173.3-71.95.4000111.1L174 V175 S178 A917 F923 R929 I930 F931L174-F927 HydrophobicContact CB-CE1 4.45Å; V175-F927 HydrophobicContact CG2-CZ 3.87Å; S178-F927 VanDerWaalsContact OG-CD1 3.27Å; S178-F927 WeakPolarHBondContact OG-CD1 3.35Å; S178-F927 VanDerWaalsContact OG-CE1 3.28Å; S178-F927 WeakPolarHBondContact OG-CE1 3.49Å; A917-F927 HydrophobicContact CB-CD2 3.81Å; A917-F927 HydrophobicContact CB-CE2 3.87Å; F923-F927 AromaticContact CD1-CE1 3.97Å; F923-F927 HydrophobicContact CD1-CE1 3.97Å; F923-F927 HydrophobicContact CD1-CZ 4.35Å; F923-F927 WeakPolarHBondContact O-CB 3.42Å; F923-F927 WeakPolarHBondContact O-CD1 3.47Å; F923-F927 WeakPolarHBondContact O-CG 3.44Å; F923-F927 PolarHBondContact O-N 2.85Å; F927-R929 VanDerWaalsContact C-N 3.26Å; F927-R929 PolarHBondContact O-N 3.35Å; F927-I930 PolarHBondContact O-N 2.87Å; F927-F931 HydrophobicContact CB-CD2 4.35Å; F927-F931 HydrophobicContact CB-CE2 4.26Å; F927-F931 WeakPolarHBondContact O-CD2 3.48Å; F927-F931 PolarHBondContact O-N 2.95Å
928L87.6Confident80.8Confident83 Ų8388.5 Ų88.544%0.43542%0.416SS..Hα-helixtrans-64.2-27.1177-72.3171.8000113.4K924 K925 R932K924-L928 HydrophobicContact CG-CD1 4.09Å; K924-L928 WeakPolarHBondContact O-CB 3.36Å; K924-L928 VanDerWaalsContact O-CG 3.24Å; K924-L928 WeakPolarHBondContact O-CG 3.13Å; K924-L928 PolarHBondContact O-N 2.92Å; K925-L928 PolarHBondContact O-N 2.96Å; L928-R932 WeakPolarHBondContact O-CB 3.47Å; L928-R932 VanDerWaalsContact O-CD 3.28Å; L928-R932 WeakPolarHBondContact O-CD 3.3Å; L928-R932 WeakPolarHBondContact O-CG 3.46Å; L928-R932 PolarHBondContact O-N 3.34Å
929R86.6Confident80.7Confident49 Ų4985.6 Ų85.619%0.18540%0.398CS..Hα-helixtrans-71.4-45.7172.6-167.2-166.5-68.9141.8-6.5110.9E182 K925 T926 F927 R932 G933 D934E182-R929 IonicContact OE2-CZ 3.39Å; E182-R929 IonicContact OE2-NH1 3.75Å; E182-R929 PolarHBondContact OE2-NH1 3.27Å; E182-R929 IonicContact OE2-NH2 3.69Å; E182-R929 PolarHBondContact OE2-NH2 2.89Å; K925-R929 WeakPolarHBondContact O-CB 3.48Å; K925-R929 PolarHBondContact O-N 3.08Å; T926-R929 WeakPolarHBondContact O-CB 3.38Å; T926-R929 PolarHBondContact O-N 2.84Å; T926-R929 VanDerWaalsContact O-N 3.15Å; F927-R929 VanDerWaalsContact C-N 3.26Å; F927-R929 PolarHBondContact O-N 3.35Å; R929-R932 PolarHBondContact O-N 3.29Å; R929-G933 PolarHBondContact O-N 3.31Å; R929-D934 WeakPolarHBondContact CD-O 3.33Å; R929-D934 HydrophobicContact CG-CB 3.85Å; R929-D934 WeakPolarHBondContact CG-O 3.45Å; R929-D934 PolarHBondContact O-N 3.17Å; R929-D934 VanDerWaalsContact O-N 3.1Å
930I86.7Confident80.8Confident30 Ų3089.4 Ų89.415%0.15441%0.414CS..Hα-helixtrans-62.6-49177.5-67.3164.4000110.9L174 I177 S178 T926 F927 R932 G933 F935L174-I930 HydrophobicContact CD2-CG2 3.9Å; I177-I930 HydrophobicContact CG2-CD1 4.06Å; S178-I930 WeakPolarHBondContact OG-CD1 3.34Å; T926-I930 HydrophobicContact CG2-CD1 4.03Å; T926-I930 WeakPolarHBondContact O-CG1 3.48Å; T926-I930 PolarHBondContact O-N 3.3Å; F927-I930 PolarHBondContact O-N 2.87Å; I930-R932 PolarHBondContact O-N 3.28Å; I930-R932 VanDerWaalsContact O-N 3.16Å; I930-G933 PolarHBondContact O-N 3.31Å; I930-F935 HydrophobicContact CG1-CE1 4.4Å; I930-F935 HydrophobicContact CG2-CE1 4.3Å; I930-F935 HydrophobicContact CG2-CZ 4.49Å
931F87.2Confident80.9Confident147 Ų14792.5 Ų92.565%0.64543%0.427SS*.THydrogen-bonded Turntrans-65.6-14.6176.8-71.2-57.5000114.2L174 F927L174-F931 HydrophobicContact CD1-CE1 4.19Å; L174-F931 HydrophobicContact CD1-CZ 3.71Å; F927-F931 HydrophobicContact CB-CD2 4.35Å; F927-F931 HydrophobicContact CB-CE2 4.26Å; F927-F931 WeakPolarHBondContact O-CD2 3.48Å; F927-F931 PolarHBondContact O-N 2.95Å
932R87.9Confident80.9Confident203 Ų20394.6 Ų94.677%0.76643%0.425SS*.THydrogen-bonded Turntrans-94.20.2171.7-74.3173.6178.5-165.1-4113.4L928 R929 I930 D934L928-R932 WeakPolarHBondContact O-CB 3.47Å; L928-R932 VanDerWaalsContact O-CD 3.28Å; L928-R932 WeakPolarHBondContact O-CD 3.3Å; L928-R932 WeakPolarHBondContact O-CG 3.46Å; L928-R932 PolarHBondContact O-N 3.34Å; R929-R932 PolarHBondContact O-N 3.29Å; I930-R932 PolarHBondContact O-N 3.28Å; I930-R932 VanDerWaalsContact O-N 3.16Å; R932-D934 PolarHBondContact O-N 3.48Å
933G82.1Confident80.8Confident41 Ų4195.1 Ų95.142%0.42343%0.426SS..THydrogen-bonded Turntrans63.217.1-174.800000114.4R929 I930 F935R929-G933 PolarHBondContact O-N 3.31Å; I930-G933 PolarHBondContact O-N 3.31Å; G933-F935 WeakPolarHBondContact O-CD2 3.41Å; G933-F935 PolarHBondContact O-N 3.26Å
934D78.3Confident80.5Confident59 Ų59101.5 Ų101.532%0.31645%0.454SS..  trans-82.366.7-173.6-172.830.1000111.3R929 R932 R936R929-D934 WeakPolarHBondContact CD-O 3.33Å; R929-D934 HydrophobicContact CG-CB 3.85Å; R929-D934 WeakPolarHBondContact CG-O 3.45Å; R929-D934 PolarHBondContact O-N 3.17Å; R929-D934 VanDerWaalsContact O-N 3.1Å; R932-D934 PolarHBondContact O-N 3.48Å; D934-R936 PolarHBondContact O-N 3.38Å; D934-R936 IonicContact OD1-CZ 3.62Å; D934-R936 IonicContact OD1-NE 2.68Å; D934-R936 PolarHBondContact OD1-NE 3.15Å; D934-R936 IonicContact OD1-NH2 3.67Å; D934-R936 PolarHBondContact OD1-NH2 2.92Å
935F75.2Confident79.9Confident114 Ų114100.4 Ų100.450%0.545%0.45SS..  trans-80.86.2-172.2-66.7-48.3000114.4I930 G933 R937 L938I930-F935 HydrophobicContact CG1-CE1 4.4Å; I930-F935 HydrophobicContact CG2-CE1 4.3Å; I930-F935 HydrophobicContact CG2-CZ 4.49Å; G933-F935 WeakPolarHBondContact O-CD2 3.41Å; G933-F935 PolarHBondContact O-N 3.26Å; F935-R937 PolarHBondContact O-N 3.11Å; F935-L938 HydrophobicContact CB-CD1 3.73Å; F935-L938 HydrophobicContact CD1-CD1 3.49Å; F935-L938 VanDerWaalsContact CD1-CD1 3.49Å; F935-L938 HydrophobicContact CE1-CD1 4.39Å; F935-L938 HydrophobicContact CG-CD1 3.86Å; F935-L938 PolarHBondContact O-N 2.89Å; F935-L938 VanDerWaalsContact O-N 3.09Å
936R68Low79.3Confident215 Ų21596.8 Ų96.881%0.81144%0.436SS*.THydrogen-bonded Turntrans-68.520-176-68.3174.3-73.7-146.3-4.5115.7D934D934-R936 PolarHBondContact O-N 3.38Å; D934-R936 IonicContact OD1-CZ 3.62Å; D934-R936 IonicContact OD1-NE 2.68Å; D934-R936 PolarHBondContact OD1-NE 3.15Å; D934-R936 IonicContact OD1-NH2 3.67Å; D934-R936 PolarHBondContact OD1-NH2 2.92Å
937R60.8Low78.7Confident151 Ų151104.5 Ų104.557%0.5747%0.47SS*.THydrogen-bonded Turntrans-144.113.8173.9-69.9-166.5-175.41584113.9E785 F935E785-R937 IonicContact OE1-CZ 2.65Å; E785-R937 IonicContact OE1-NH1 2.87Å; E785-R937 PolarHBondContact OE1-NH1 3.09Å; E785-R937 IonicContact OE2-CZ 2.58Å; E785-R937 IonicContact OE2-NH1 3.91Å; E785-R937 PolarHBondContact OE2-NH1 2.97Å; F935-R937 PolarHBondContact O-N 3.11Å
938L55.7Low77.8Confident146 Ų146112.5 Ų112.576%0.76451%0.506SS*.  trans-65.70161-92.1146.9000109.6V181 F935V181-L938 HydrophobicContact CB-CD2 4.25Å; V181-L938 HydrophobicContact CG1-CD2 3.77Å; V181-L938 HydrophobicContact CG1-CG 3.79Å; V181-L938 HydrophobicContact CG2-CD2 3.48Å; V181-L938 VanDerWaalsContact CG2-CD2 3.48Å; V181-L938 HydrophobicContact CG2-CG 4.33Å; F935-L938 HydrophobicContact CB-CD1 3.73Å; F935-L938 HydrophobicContact CD1-CD1 3.49Å; F935-L938 VanDerWaalsContact CD1-CD1 3.49Å; F935-L938 HydrophobicContact CE1-CD1 4.39Å; F935-L938 HydrophobicContact CG-CD1 3.86Å; F935-L938 PolarHBondContact O-N 2.89Å; F935-L938 VanDerWaalsContact O-N 3.09Å

Retrieved 938 of 938 residues in 977.5 ms (Link to these results)

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