A0A077YWD5_TRITR Loading...

DnaJ and RRM 1 and Cornichon domain containing pr otein

AlphaFold DB , UniProt , Accession A0A077YWD5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 435 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
1M39.6Very low77.2Confident223 Ų22369.6 Ų69.6100%1.09937%0.369SS*.  0920-65.2-167.6-13000110.8F3M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.76Å; M1-F3 VanDerWaalsContact O-N 3.17Å
2A43.6Very low78.6Confident87 Ų8772.3 Ų72.372%0.71938%0.376SS*.  trans-78.592.4162.500000106.1N4A2-N4 PolarHBondContact O-N 2.92Å
3F56Low79.9Confident146 Ų14666.8 Ų66.864%0.6435%0.347SS*.  trans-55.5110.5164.6-163.4-87.3000105.2M1 F5 V8M1-F3 VanDerWaalsContact C-N 3.33Å; M1-F3 PolarHBondContact O-N 2.76Å; M1-F3 VanDerWaalsContact O-N 3.17Å; F3-F5 PolarHBondContact O-N 3.04Å; F3-V8 HydrophobicContact CD1-CG2 3.34Å; F3-V8 HydrophobicContact CE1-CG2 3.35Å
4N74.4Confident81Confident58 Ų5864.4 Ų64.431%0.3134%0.335SS..  trans-53109.5-167.5-92.6-28.5000108.2A2 V6 A7 V8A2-N4 PolarHBondContact O-N 2.92Å; N4-V6 PolarHBondContact O-N 3.27Å; N4-A7 HydrophobicContact CB-CB 4.11Å; N4-A7 WeakPolarHBondContact O-CA 3.17Å; N4-A7 WeakPolarHBondContact O-CB 3.48Å; N4-A7 PolarHBondContact O-N 3.47Å; N4-V8 PolarHBondContact O-N 3.2Å
5F87.2Confident82.1Confident109 Ų10965.5 Ų65.548%0.47834%0.34SS..Hα-helixtrans-50.9-35.3179.1175.7-108.6000110.4F3 A7 V8 T9 F68 S69F3-F5 PolarHBondContact O-N 3.04Å; F5-A7 PolarHBondContact O-N 3.46Å; F5-V8 WeakPolarHBondContact O-CB 3.04Å; F5-V8 PolarHBondContact O-N 3.16Å; F5-T9 PolarHBondContact O-N 3.43Å; F5-T9 PolarHBondContact O-OG1 3.01Å; F5-F68 HydrophobicContact CE1-CB 4.06Å; F5-F68 HydrophobicContact CZ-CB 4.23Å; F5-S69 WeakPolarHBondContact CD1-OG 3.31Å; F5-S69 WeakPolarHBondContact CE1-OG 3.32Å
6V89.3Confident82.9Confident28 Ų2862.6 Ų62.617%0.1733%0.325CS..Hα-helixtrans-52.5-48.5169.6-179.40000113.4N4 V8 T9 Y10 E71 T140N4-V6 PolarHBondContact O-N 3.27Å; V6-V8 PolarHBondContact O-N 2.89Å; V6-T9 WeakPolarHBondContact O-CB 3.39Å; V6-T9 PolarHBondContact O-N 3.46Å; V6-Y10 HydrophobicContact CG1-CD2 3.75Å; V6-Y10 HydrophobicContact CG1-CE2 3.46Å; V6-Y10 VanDerWaalsContact CG1-CE2 3.46Å; V6-Y10 WeakPolarHBondContact O-CD2 3.43Å; V6-Y10 PolarHBondContact O-N 2.91Å; V6-E71 HydrophobicContact CG1-CG 3.96Å; V6-E71 VanDerWaalsContact CG1-OE1 3.29Å; V6-E71 WeakPolarHBondContact CG1-OE1 3.49Å; V6-T140 HydrophobicContact CG1-CG2 3.91Å
7A88.3Confident83.7Confident5 Ų558.9 Ų58.94%0.04131%0.305CS..Hα-helixtrans-65.1-40179.900000111.5N4 F5 T9 Y10 I11N4-A7 HydrophobicContact CB-CB 4.11Å; N4-A7 WeakPolarHBondContact O-CA 3.17Å; N4-A7 WeakPolarHBondContact O-CB 3.48Å; N4-A7 PolarHBondContact O-N 3.47Å; F5-A7 PolarHBondContact O-N 3.46Å; A7-T9 VanDerWaalsContact C-N 3.33Å; A7-Y10 PolarHBondContact O-N 3.47Å; A7-I11 VanDerWaalsContact O-CG1 3.29Å; A7-I11 WeakPolarHBondContact O-CG1 3.49Å; A7-I11 PolarHBondContact O-N 3.19Å
8V90.6Very high84.4Confident41 Ų4158.1 Ų58.125%0.24831%0.309CS..Hα-helixtrans-61.3-44.4173.9178.20000110.7F3 N4 F5 V6 Y10 I11 F12F3-V8 HydrophobicContact CD1-CG2 3.34Å; F3-V8 HydrophobicContact CE1-CG2 3.35Å; N4-V8 PolarHBondContact O-N 3.2Å; F5-V8 WeakPolarHBondContact O-CB 3.04Å; F5-V8 PolarHBondContact O-N 3.16Å; V6-V8 PolarHBondContact O-N 2.89Å; V8-Y10 PolarHBondContact O-N 3.4Å; V8-I11 WeakPolarHBondContact O-CB 3.1Å; V8-I11 PolarHBondContact O-N 3.42Å; V8-F12 HydrophobicContact CG1-CD2 3.63Å; V8-F12 HydrophobicContact CG1-CE2 3.43Å; V8-F12 VanDerWaalsContact CG1-CE2 3.43Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.44Å; V8-F12 PolarHBondContact O-N 3.01Å
9T93.1Very high85Confident2 Ų261.2 Ų61.21%0.01232%0.32CS..Hα-helixtrans-59.2-44.7176.5-66.60000111.9F5 V6 A7 I11 F12 A13 L65 F66 S69F5-T9 PolarHBondContact O-N 3.43Å; F5-T9 PolarHBondContact O-OG1 3.01Å; V6-T9 WeakPolarHBondContact O-CB 3.39Å; V6-T9 PolarHBondContact O-N 3.46Å; A7-T9 VanDerWaalsContact C-N 3.33Å; T9-I11 VanDerWaalsContact C-N 3.34Å; T9-I11 PolarHBondContact O-N 2.9Å; T9-F12 PolarHBondContact O-N 3.34Å; T9-A13 WeakPolarHBondContact O-CB 3.46Å; T9-A13 PolarHBondContact O-N 3.49Å; T9-L65 HydrophobicContact CG2-CB 3.72Å; T9-F66 HydrophobicContact CG2-CD1 3.48Å; T9-F66 VanDerWaalsContact CG2-CD1 3.48Å; T9-F66 HydrophobicContact CG2-CE1 3.71Å; T9-F66 HydrophobicContact CG2-CG 4.42Å; T9-S69 WeakPolarHBondContact CB-OG 3.3Å; T9-S69 WeakPolarHBondContact CG2-OG 3.37Å; T9-S69 PolarHBondContact OG1-OG 2.95Å
10Y94.3Very high85.5Confident2 Ų258.2 Ų58.21%0.00830%0.304CS..Hα-helixtrans-66.1-33.8175.7-76.5-65.2000113V6 A7 V8 A13 L14 F66 E71 S74 Y133 C136 T140V6-Y10 HydrophobicContact CG1-CD2 3.75Å; V6-Y10 HydrophobicContact CG1-CE2 3.46Å; V6-Y10 VanDerWaalsContact CG1-CE2 3.46Å; V6-Y10 WeakPolarHBondContact O-CD2 3.43Å; V6-Y10 PolarHBondContact O-N 2.91Å; A7-Y10 PolarHBondContact O-N 3.47Å; V8-Y10 PolarHBondContact O-N 3.4Å; Y10-A13 PolarHBondContact O-N 2.92Å; Y10-L14 WeakPolarHBondContact O-CB 3.21Å; Y10-L14 PolarHBondContact O-N 3.11Å; Y10-F66 AromaticContact CD1-CE1 3.73Å; Y10-F66 HydrophobicContact CD1-CE1 3.73Å; Y10-F66 HydrophobicContact CD1-CZ 4.07Å; Y10-F66 AromaticContact CE1-CE1 3.53Å; Y10-F66 HydrophobicContact CE1-CE1 3.53Å; Y10-F66 AromaticContact CE1-CZ 3.92Å; Y10-F66 HydrophobicContact CE1-CZ 3.92Å; Y10-F66 HydrophobicContact CG-CE1 4.46Å; Y10-E71 HydrophobicContact CE2-CG 4.21Å; Y10-E71 PolarHBondContact OH-OE2 3.25Å; Y10-S74 PolarHBondContact OH-OG 2.91Å; Y10-Y133 HydrophobicContact CD1-CD1 4.04Å; Y10-Y133 HydrophobicContact CD1-CG 4.45Å; Y10-Y133 HydrophobicContact CE1-CD1 4.03Å; Y10-C136 HydrophobicContact CD1-CB 3.79Å; Y10-C136 HydrophobicContact CD2-CB 4.04Å; Y10-C136 HydrophobicContact CE1-CB 3.48Å; Y10-C136 VanDerWaalsContact CE1-CB 3.48Å; Y10-C136 HydrophobicContact CE2-CB 3.76Å; Y10-C136 HydrophobicContact CG-CB 4.08Å; Y10-C136 VanDerWaalsContact CZ-CB 3.49Å; Y10-T140 HydrophobicContact CE2-CG2 4.45Å
11I93.3Very high86Confident65 Ų6556.9 Ų56.933%0.33330%0.297SS..Hα-helixtrans-63-48.9173.4-68.7162.7000110.5A7 V8 T9 A13 L14 I15 M137A7-I11 VanDerWaalsContact O-CG1 3.29Å; A7-I11 WeakPolarHBondContact O-CG1 3.49Å; A7-I11 PolarHBondContact O-N 3.19Å; V8-I11 WeakPolarHBondContact O-CB 3.1Å; V8-I11 PolarHBondContact O-N 3.42Å; T9-I11 VanDerWaalsContact C-N 3.34Å; T9-I11 PolarHBondContact O-N 2.9Å; I11-A13 PolarHBondContact O-N 3.19Å; I11-L14 PolarHBondContact O-N 3.17Å; I11-I15 HydrophobicContact CG2-CD1 4Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 2.87Å; I11-M137 HydrophobicContact CG1-CG 4.02Å; I11-M137 HydrophobicContact CG1-SD 3.78Å
12F94.1Very high88.6Confident102 Ų10252.4 Ų52.445%0.44727%0.272SS..Hα-helixtrans-62.2-43176.3-79.8-66.1000111.9V8 T9 L14 I15 I16 L65V8-F12 HydrophobicContact CG1-CD2 3.63Å; V8-F12 HydrophobicContact CG1-CE2 3.43Å; V8-F12 VanDerWaalsContact CG1-CE2 3.43Å; V8-F12 VanDerWaalsContact O-CD2 3.29Å; V8-F12 WeakPolarHBondContact O-CD2 3.44Å; V8-F12 PolarHBondContact O-N 3.01Å; T9-F12 PolarHBondContact O-N 3.34Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 3.39Å; F12-I15 PolarHBondContact O-N 3.28Å; F12-I16 WeakPolarHBondContact O-CB 3.28Å; F12-I16 VanDerWaalsContact O-CG1 3.28Å; F12-I16 WeakPolarHBondContact O-CG1 3.4Å; F12-I16 PolarHBondContact O-N 3.31Å; F12-L65 HydrophobicContact CB-CD1 4.03Å
13A94.9Very high91Very high0 Ų049.9 Ų49.90%025%0.245CC..Hα-helixtrans-59.7-40.7176.200000111.7T9 Y10 I11 T17 F62 F66 Y133T9-A13 WeakPolarHBondContact O-CB 3.46Å; T9-A13 PolarHBondContact O-N 3.49Å; Y10-A13 PolarHBondContact O-N 2.92Å; I11-A13 PolarHBondContact O-N 3.19Å; A13-T17 VanDerWaalsContact O-CB 3.23Å; A13-T17 WeakPolarHBondContact O-CB 3.42Å; A13-T17 PolarHBondContact O-N 2.94Å; A13-T17 PolarHBondContact O-OG1 3.25Å; A13-F62 HydrophobicContact CB-CB 4.35Å; A13-F66 HydrophobicContact CB-CE1 4.22Å; A13-F66 HydrophobicContact CB-CE2 4.36Å; A13-F66 HydrophobicContact CB-CZ 3.63Å; A13-Y133 HydrophobicContact CB-CD2 4.06Å; A13-Y133 HydrophobicContact CB-CE2 4.27Å; A13-Y133 HydrophobicContact CB-CG 4.35Å
14L95.9Very high92.8Very high34 Ų3443.1 Ų43.118%0.17822%0.216CC..Hα-helixtrans-65.1-47.3177.8-169155.9000111.7Y10 I11 F12 I16 T17 A18 F130 L134Y10-L14 WeakPolarHBondContact O-CB 3.21Å; Y10-L14 PolarHBondContact O-N 3.11Å; I11-L14 PolarHBondContact O-N 3.17Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 3.39Å; L14-I16 PolarHBondContact O-N 2.87Å; L14-T17 PolarHBondContact O-N 3.28Å; L14-A18 PolarHBondContact O-N 3.42Å; L14-F130 HydrophobicContact CD2-CE2 3.62Å; L14-F130 HydrophobicContact CD2-CZ 4.06Å; L14-F130 HydrophobicContact CG-CD2 4.25Å; L14-F130 HydrophobicContact CG-CE2 3.76Å; L14-F130 HydrophobicContact CG-CZ 4.28Å; L14-L134 HydrophobicContact CD1-CB 4.08Å; L14-L134 HydrophobicContact CD1-CD1 3.89Å
15I96.2Very high93.8Very high81 Ų8144.1 Ų44.142%0.41522%0.22SC..Hα-helixtrans-60-48177.6-66.9167.7000110.2I11 F12 T17 A18 F19I11-I15 HydrophobicContact CG2-CD1 4Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 2.87Å; F12-I15 PolarHBondContact O-N 3.28Å; I15-T17 VanDerWaalsContact C-N 3.34Å; I15-T17 PolarHBondContact O-N 3.1Å; I15-A18 WeakPolarHBondContact O-CB 3.49Å; I15-A18 PolarHBondContact O-N 2.78Å; I15-F19 HydrophobicContact CG2-CD2 4.1Å; I15-F19 HydrophobicContact CG2-CE2 3.73Å; I15-F19 WeakPolarHBondContact O-CD2 3.42Å; I15-F19 PolarHBondContact O-N 2.87Å
16I96Very high94.2Very high18 Ų1842.1 Ų42.19%0.09221%0.21CC..Hα-helixtrans-64.2-41179.1-69.1166.5000111.1F12 L14 A18 F19 L20 M58 F61 F62F12-I16 WeakPolarHBondContact O-CB 3.28Å; F12-I16 VanDerWaalsContact O-CG1 3.28Å; F12-I16 WeakPolarHBondContact O-CG1 3.4Å; F12-I16 PolarHBondContact O-N 3.31Å; L14-I16 PolarHBondContact O-N 2.87Å; I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 PolarHBondContact O-N 2.85Å; I16-F19 PolarHBondContact O-N 3.21Å; I16-F19 VanDerWaalsContact O-N 3.15Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.24Å; I16-L20 WeakPolarHBondContact O-CG 3.5Å; I16-L20 PolarHBondContact O-N 3.13Å; I16-M58 HydrophobicContact CG2-CB 3.72Å; I16-M58 HydrophobicContact CG2-CG 4.36Å; I16-M58 HydrophobicContact CG2-SD 4.41Å; I16-F61 HydrophobicContact CD1-CD1 3.59Å; I16-F61 HydrophobicContact CD1-CE1 4.02Å; I16-F62 HydrophobicContact CB-CD1 4.41Å; I16-F62 HydrophobicContact CD1-CB 4.13Å; I16-F62 HydrophobicContact CG2-CD1 3.72Å; I16-F62 HydrophobicContact CG2-CE1 4.29Å
17T95.7Very high94.3Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-63.3-34.7177.6-57.10000111.4A13 L14 I15 L20 L21 Y126 F130 Y133A13-T17 VanDerWaalsContact O-CB 3.23Å; A13-T17 WeakPolarHBondContact O-CB 3.42Å; A13-T17 PolarHBondContact O-N 2.94Å; A13-T17 PolarHBondContact O-OG1 3.25Å; L14-T17 PolarHBondContact O-N 3.28Å; I15-T17 VanDerWaalsContact C-N 3.34Å; I15-T17 PolarHBondContact O-N 3.1Å; T17-L20 PolarHBondContact O-N 3.21Å; T17-L21 WeakPolarHBondContact O-CB 3.47Å; T17-L21 WeakPolarHBondContact O-CG 3.36Å; T17-L21 PolarHBondContact O-N 3.48Å; T17-Y126 WeakPolarHBondContact CG2-O 3.46Å; T17-F130 HydrophobicContact CG2-CB 3.95Å; T17-F130 HydrophobicContact CG2-CD2 4.31Å; T17-Y133 WeakPolarHBondContact OG1-CD2 3.3Å; T17-Y133 VanDerWaalsContact OG1-CE2 3.29Å; T17-Y133 WeakPolarHBondContact OG1-CE2 3.2Å
18A96.1Very high94.6Very high45 Ų4541.6 Ų41.637%0.37221%0.205SC..Hα-helixtrans-63.2-41.9173.300000112.3L14 I15 I16 L21 F22 F130L14-A18 PolarHBondContact O-N 3.42Å; I15-A18 WeakPolarHBondContact O-CB 3.49Å; I15-A18 PolarHBondContact O-N 2.78Å; I16-A18 VanDerWaalsContact C-N 3.27Å; I16-A18 PolarHBondContact O-N 2.85Å; A18-L21 PolarHBondContact O-N 3.13Å; A18-F22 PolarHBondContact O-N 2.9Å; A18-F22 VanDerWaalsContact O-N 3.16Å; A18-F130 HydrophobicContact CB-CE2 4.49Å
19F95.8Very high94.7Very high117 Ų11743.7 Ų43.751%0.51321%0.214SC..Hα-helixtrans-65.1-40.4172.6-73.5-70.9000112.3I15 I16 L21 F22 F23 M58I15-F19 HydrophobicContact CG2-CD2 4.1Å; I15-F19 HydrophobicContact CG2-CE2 3.73Å; I15-F19 WeakPolarHBondContact O-CD2 3.42Å; I15-F19 PolarHBondContact O-N 2.87Å; I16-F19 PolarHBondContact O-N 3.21Å; I16-F19 VanDerWaalsContact O-N 3.15Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 3.02Å; F19-F22 WeakPolarHBondContact O-CB 3.48Å; F19-F22 PolarHBondContact O-N 2.89Å; F19-F23 PolarHBondContact O-N 3.48Å; F19-M58 HydrophobicContact CB-CE 4.27Å; F19-M58 HydrophobicContact CB-SD 4.28Å
20L95.2Very high94.6Very high1 Ų143.7 Ų43.71%0.00521%0.214CC..Hα-helixtrans-65.3-36.1176.4-69.9171.8000112.5I16 T17 F23 A24 E55 M58 H59 F62 Y126I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 HydrophobicContact CG2-CG 4.24Å; I16-L20 WeakPolarHBondContact O-CG 3.5Å; I16-L20 PolarHBondContact O-N 3.13Å; T17-L20 PolarHBondContact O-N 3.21Å; L20-F23 PolarHBondContact O-N 3.15Å; L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.28Å; L20-E55 HydrophobicContact CD2-CB 4.19Å; L20-E55 HydrophobicContact CD2-CG 3.56Å; L20-M58 HydrophobicContact CD2-CB 4.34Å; L20-M58 HydrophobicContact CD2-CE 3.73Å; L20-M58 HydrophobicContact CG-CE 4.19Å; L20-H59 HydrophobicContact CD1-CB 4.47Å; L20-F62 HydrophobicContact CD1-CD1 4.44Å; L20-F62 HydrophobicContact CD1-CE1 3.69Å; L20-Y126 HydrophobicContact CB-CD1 4.41Å; L20-Y126 HydrophobicContact CB-CD2 4.2Å; L20-Y126 HydrophobicContact CB-CE1 4.33Å; L20-Y126 HydrophobicContact CB-CE2 4.09Å; L20-Y126 HydrophobicContact CB-CG 4.37Å; L20-Y126 HydrophobicContact CD1-CD1 4.47Å; L20-Y126 HydrophobicContact CD1-CE1 3.91Å
21L95.9Very high94.5Very high30 Ų3043.7 Ų43.716%0.15721%0.214CC..Hα-helixtrans-61.2-45.6172.1-79.3170.2000111.2T17 A18 F19 F23 A24 I25 L123 I127 F130T17-L21 WeakPolarHBondContact O-CB 3.47Å; T17-L21 WeakPolarHBondContact O-CG 3.36Å; T17-L21 PolarHBondContact O-N 3.48Å; A18-L21 PolarHBondContact O-N 3.13Å; F19-L21 VanDerWaalsContact C-N 3.34Å; F19-L21 PolarHBondContact O-N 3.02Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-F23 PolarHBondContact O-N 2.94Å; L21-A24 PolarHBondContact O-N 3.03Å; L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 2.94Å; L21-L123 HydrophobicContact CD2-CD1 3.96Å; L21-I127 HydrophobicContact CD2-CG1 3.59Å; L21-F130 HydrophobicContact CD1-CB 4.2Å; L21-F130 HydrophobicContact CD1-CD2 4.18Å; L21-F130 HydrophobicContact CD1-CG 4.27Å
22F95.3Very high94.4Very high130 Ų13044.1 Ų44.157%0.5722%0.215SC*.Hα-helixtrans-59.8-45175.5-179.4-97.2000111.6A18 F19 I25 Y26A18-F22 PolarHBondContact O-N 2.9Å; A18-F22 VanDerWaalsContact O-N 3.16Å; F19-F22 WeakPolarHBondContact O-CB 3.48Å; F19-F22 PolarHBondContact O-N 2.89Å; F22-I25 PolarHBondContact O-N 2.86Å; F22-Y26 WeakPolarHBondContact O-CB 3.33Å; F22-Y26 PolarHBondContact O-N 3.35Å
23F93.6Very high94.3Very high34 Ų3442.7 Ų42.715%0.14921%0.21CC..Hα-helixtrans-64.7-38.7175.6-67.8-20.8000113F19 L20 L21 Y26 H27 L51 P54 E55 M58F19-F23 PolarHBondContact O-N 3.48Å; L20-F23 PolarHBondContact O-N 3.15Å; L21-F23 VanDerWaalsContact C-N 3.34Å; L21-F23 PolarHBondContact O-N 2.94Å; F23-Y26 PolarHBondContact O-N 3.15Å; F23-H27 PolarHBondContact O-N 3.31Å; F23-H27 PolarHBondContact O-ND1 3.37Å; F23-L51 HydrophobicContact CE1-CD2 4.2Å; F23-L51 HydrophobicContact CZ-CD2 4.39Å; F23-P54 HydrophobicContact CE2-CB 4.46Å; F23-E55 HydrophobicContact CD2-CB 4.44Å; F23-M58 HydrophobicContact CD2-CE 3.63Å; F23-M58 HydrophobicContact CE2-CE 3.31Å; F23-M58 HydrophobicContact CZ-CE 4.44Å
24A94.4Very high94.1Very high4 Ų443.2 Ų43.23%0.03321%0.212CC..Hα-helixtrans-64.2-42.7176.400000111.8L20 L21 H27 I28 L123 Y126L20-A24 WeakPolarHBondContact O-CB 3.49Å; L20-A24 PolarHBondContact O-N 3.28Å; L21-A24 PolarHBondContact O-N 3.03Å; A24-H27 PolarHBondContact O-N 2.87Å; A24-I28 WeakPolarHBondContact O-CG1 3.45Å; A24-I28 PolarHBondContact O-N 3.14Å; A24-L123 HydrophobicContact CB-CB 4.34Å; A24-L123 HydrophobicContact CB-CD1 4.24Å; A24-Y126 HydrophobicContact CB-CD2 4.16Å
25I95.8Very high93.8Very high79 Ų7946.5 Ų46.541%0.40523%0.225SC..Hα-helixtrans-63-46174.9-67.1166.9000110.3L21 F22 H27 I28 I29 L123L21-I25 VanDerWaalsContact O-CG1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.47Å; L21-I25 PolarHBondContact O-N 2.94Å; F22-I25 PolarHBondContact O-N 2.86Å; I25-H27 VanDerWaalsContact C-N 3.33Å; I25-H27 PolarHBondContact O-N 3.34Å; I25-I28 PolarHBondContact O-N 3.5Å; I25-I28 VanDerWaalsContact O-N 3.15Å; I25-I29 HydrophobicContact CG2-CD1 3.74Å; I25-I29 HydrophobicContact CG2-CG1 4.35Å; I25-I29 WeakPolarHBondContact O-CG1 3.47Å; I25-I29 PolarHBondContact O-N 3.36Å; I25-L123 HydrophobicContact CD1-CD1 4.47Å; I25-L123 HydrophobicContact CG1-CD1 3.79Å
26Y94Very high93.4Very high66 Ų6645.8 Ų45.826%0.25923%0.225SC..Hα-helixtrans-58.6-43.2176.8-178-100.3000112.1F22 F23 I28 I29 A30 S47 L48 L51F22-Y26 WeakPolarHBondContact O-CB 3.33Å; F22-Y26 PolarHBondContact O-N 3.35Å; F23-Y26 PolarHBondContact O-N 3.15Å; Y26-I28 PolarHBondContact O-N 3.07Å; Y26-I29 PolarHBondContact O-N 2.93Å; Y26-A30 WeakPolarHBondContact O-CB 3.47Å; Y26-A30 PolarHBondContact O-N 3.32Å; Y26-S47 PolarHBondContact OH-OG 3.16Å; Y26-L48 HydrophobicContact CD1-CD2 4.04Å; Y26-L48 HydrophobicContact CE1-CD2 3.84Å; Y26-L51 HydrophobicContact CD1-CD1 3.59Å; Y26-L51 HydrophobicContact CE1-CD1 3.46Å; Y26-L51 VanDerWaalsContact CE1-CD1 3.46Å
27H92.1Very high92.9Very high6 Ų651.9 Ų51.93%0.02826%0.257CS..Hα-helixtrans-61.3-40.4174.9-80.690.8000112.6F23 A24 I25 A30 F31 E55F23-H27 PolarHBondContact O-N 3.31Å; F23-H27 PolarHBondContact O-ND1 3.37Å; A24-H27 PolarHBondContact O-N 2.87Å; I25-H27 VanDerWaalsContact C-N 3.33Å; I25-H27 PolarHBondContact O-N 3.34Å; H27-A30 WeakPolarHBondContact O-CB 3.48Å; H27-F31 HydrophobicContact CB-CE2 4.46Å; H27-F31 WeakPolarHBondContact O-CD2 3.49Å; H27-F31 PolarHBondContact O-N 3.04Å; H27-F31 VanDerWaalsContact O-N 3.09Å; H27-E55 IonicContact CE1-OE2 3.62Å; H27-E55 PolarHBondContact CE1-OE2 3.42Å; H27-E55 VanDerWaalsContact CE1-OE2 3.3Å; H27-E55 IonicContact ND1-OE2 3.03Å; H27-E55 IonicContact NE2-OE2 3.25Å
28I93.5Very high92.4Very high16 Ų1661.3 Ų61.38%0.08230%0.295CS..Hα-helixtrans-67-47.9178.5-68.5164.5000110.5A24 I25 Y26 A30 F31 E32 W120 L123A24-I28 WeakPolarHBondContact O-CG1 3.45Å; A24-I28 PolarHBondContact O-N 3.14Å; I25-I28 PolarHBondContact O-N 3.5Å; I25-I28 VanDerWaalsContact O-N 3.15Å; Y26-I28 PolarHBondContact O-N 3.07Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.22Å; I28-F31 PolarHBondContact O-N 3.01Å; I28-E32 PolarHBondContact O-N 2.97Å; I28-W120 HydrophobicContact CD1-CD2 4.23Å; I28-W120 HydrophobicContact CD1-CG 4.39Å; I28-W120 HydrophobicContact CG2-CZ2 4.17Å; I28-L123 HydrophobicContact CD1-CB 3.81Å; I28-L123 HydrophobicContact CD1-CD2 3.57Å; I28-L123 HydrophobicContact CD1-CG 4.25Å
29I93.1Very high91.9Very high85 Ų8563 Ų6344%0.43629%0.291SS..Hα-helixtrans-58.2-45.6177.4-66.6169.7000109.8I25 Y26 F31 E32 E33I25-I29 HydrophobicContact CG2-CD1 3.74Å; I25-I29 HydrophobicContact CG2-CG1 4.35Å; I25-I29 WeakPolarHBondContact O-CG1 3.47Å; I25-I29 PolarHBondContact O-N 3.36Å; Y26-I29 PolarHBondContact O-N 2.93Å; I29-F31 VanDerWaalsContact C-N 3.35Å; I29-F31 PolarHBondContact O-N 3.41Å; I29-E32 PolarHBondContact O-N 3.25Å; I29-E33 HydrophobicContact CG2-CG 4.3Å; I29-E33 WeakPolarHBondContact O-CB 3.46Å; I29-E33 WeakPolarHBondContact O-CG 3.47Å; I29-E33 PolarHBondContact O-N 3.01Å
30A91.7Very high91.6Very high2 Ų261.1 Ų61.12%0.01729%0.287CS..Hα-helixtrans-56.4-43177.500000114.2Y26 H27 I28 L34 Q44 L48Y26-A30 WeakPolarHBondContact O-CB 3.47Å; Y26-A30 PolarHBondContact O-N 3.32Å; H27-A30 WeakPolarHBondContact O-CB 3.48Å; I28-A30 VanDerWaalsContact C-N 3.27Å; I28-A30 PolarHBondContact O-N 3.22Å; A30-L34 PolarHBondContact O-N 3.38Å; A30-Q44 HydrophobicContact CB-CG 4.29Å; A30-L48 HydrophobicContact CB-CD1 4Å; A30-L48 HydrophobicContact CB-CD2 3.7Å; A30-L48 HydrophobicContact CB-CG 4.13Å
31F91.5Very high91.2Very high2 Ų262 Ų621%0.00929%0.293CS..Hα-helixtrans-77.4-30.3178-69.1-51.4000113H27 I28 I29 L34 K35 L48 Y101 I106 L112 A115 I116H27-F31 HydrophobicContact CB-CE2 4.46Å; H27-F31 WeakPolarHBondContact O-CD2 3.49Å; H27-F31 PolarHBondContact O-N 3.04Å; H27-F31 VanDerWaalsContact O-N 3.09Å; I28-F31 PolarHBondContact O-N 3.01Å; I29-F31 VanDerWaalsContact C-N 3.35Å; I29-F31 PolarHBondContact O-N 3.41Å; F31-L34 PolarHBondContact O-N 3.29Å; F31-K35 WeakPolarHBondContact O-CB 3.47Å; F31-K35 PolarHBondContact O-N 3.04Å; F31-L48 HydrophobicContact CE1-CD1 3.86Å; F31-L48 HydrophobicContact CZ-CD1 3.95Å; F31-Y101 HydrophobicContact CE1-CD1 4.42Å; F31-Y101 HydrophobicContact CE1-CE1 4.38Å; F31-Y101 HydrophobicContact CE2-CE1 4.46Å; F31-Y101 HydrophobicContact CZ-CD1 4.04Å; F31-Y101 HydrophobicContact CZ-CD2 4.27Å; F31-Y101 AromaticContact CZ-CE1 3.62Å; F31-Y101 HydrophobicContact CZ-CE1 3.62Å; F31-Y101 AromaticContact CZ-CE2 3.87Å; F31-Y101 HydrophobicContact CZ-CE2 3.87Å; F31-Y101 HydrophobicContact CZ-CG 4.36Å; F31-Y101 AromaticContact CZ-CZ 3.54Å; F31-I106 HydrophobicContact CD1-CD1 4.27Å; F31-I106 HydrophobicContact CE1-CD1 3.59Å; F31-I106 HydrophobicContact CE1-CG1 4.17Å; F31-I106 HydrophobicContact CZ-CD1 4.39Å; F31-L112 HydrophobicContact CB-CD1 4.15Å; F31-L112 HydrophobicContact CD1-CD1 3.9Å; F31-L112 HydrophobicContact CG-CD1 4.37Å; F31-A115 HydrophobicContact CD1-CB 4.45Å; F31-A115 HydrophobicContact CD2-CB 4.3Å; F31-A115 HydrophobicContact CE1-CB 4.19Å; F31-A115 HydrophobicContact CE2-CB 4.01Å; F31-A115 HydrophobicContact CZ-CB 3.97Å; F31-I116 HydrophobicContact CB-CD1 4.21Å; F31-I116 HydrophobicContact CB-CG1 3.51Å; F31-I116 HydrophobicContact CG-CG1 4.32Å
32E92Very high90.7Very high75 Ų7564.8 Ų64.835%0.3531%0.307SS..Hα-helixtrans-70.1-41.2174.3-160.666.4-16400110.8I28 I29 L34 K35 T36I28-E32 PolarHBondContact O-N 2.97Å; I29-E32 PolarHBondContact O-N 3.25Å; E32-L34 VanDerWaalsContact C-N 3.28Å; E32-L34 PolarHBondContact O-N 3.2Å; E32-K35 WeakPolarHBondContact O-CB 3.5Å; E32-K35 PolarHBondContact O-N 3.18Å; E32-K35 IonicContact OE1-NZ 3.65Å; E32-T36 PolarHBondContact O-N 3.45Å; E32-T36 PolarHBondContact O-OG1 3.37Å
33E92.4Very high90.4Very high71 Ų7163.4 Ų63.433%0.33230%0.302SS..Hα-helixtrans-55.8-44172.2-78.3179.3176.200111.6I29 K35 T36 D37 Y38I29-E33 HydrophobicContact CG2-CG 4.3Å; I29-E33 WeakPolarHBondContact O-CB 3.46Å; I29-E33 WeakPolarHBondContact O-CG 3.47Å; I29-E33 PolarHBondContact O-N 3.01Å; E33-K35 VanDerWaalsContact C-N 3.35Å; E33-T36 VanDerWaalsContact CA-OG1 3.32Å; E33-T36 WeakPolarHBondContact CA-OG1 3.44Å; E33-T36 CarbonylContact O-C 3.56Å; E33-T36 PolarHBondContact O-N 3.1Å; E33-T36 PolarHBondContact O-OG1 2.89Å; E33-D37 PolarHBondContact O-N 2.93Å; E33-Y38 PolarHBondContact O-N 3.35Å
34L89.2Confident90.1Very high11 Ų1161.9 Ų61.96%0.05830%0.295CS..Hα-helixtrans-65.5-37.3176.2-17662.6000112.1A30 F31 E32 T36 D37 P41 I106 L112A30-L34 PolarHBondContact O-N 3.38Å; F31-L34 PolarHBondContact O-N 3.29Å; E32-L34 VanDerWaalsContact C-N 3.28Å; E32-L34 PolarHBondContact O-N 3.2Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-D37 PolarHBondContact O-N 3.31Å; L34-P41 HydrophobicContact CD1-CB 3.87Å; L34-P41 HydrophobicContact CD1-CG 4.45Å; L34-I106 HydrophobicContact CD2-CB 4.38Å; L34-I106 HydrophobicContact CD2-CG1 3.63Å; L34-I106 HydrophobicContact CD2-CG2 3.87Å; L34-L112 HydrophobicContact CD2-CD1 3.93Å; L34-L112 HydrophobicContact CG-CD1 4.45Å
35K89.4Confident89.8Confident104 Ų10461.8 Ų61.845%0.45229%0.294SS..Hα-helixtrans-69.3-29.7176.5-174.5-178.6170.9-165.10112.8F31 E32 E33 D37 L112 I116F31-K35 WeakPolarHBondContact O-CB 3.47Å; F31-K35 PolarHBondContact O-N 3.04Å; E32-K35 WeakPolarHBondContact O-CB 3.5Å; E32-K35 PolarHBondContact O-N 3.18Å; E32-K35 IonicContact OE1-NZ 3.65Å; E33-K35 VanDerWaalsContact C-N 3.35Å; K35-D37 VanDerWaalsContact C-N 3.34Å; K35-L112 HydrophobicContact CB-CD2 3.99Å; K35-L112 HydrophobicContact CG-CD2 4.39Å; K35-I116 HydrophobicContact CB-CD1 4.48Å; K35-I116 HydrophobicContact CD-CD1 3.9Å
36T89.2Confident89.4Confident66 Ų6662.7 Ų62.741%0.40530%0.3SS..THydrogen-bonded Turntrans-906.6175.850.90000113.8E32 E33 L34 Y38E32-T36 PolarHBondContact O-N 3.45Å; E32-T36 PolarHBondContact O-OG1 3.37Å; E33-T36 VanDerWaalsContact CA-OG1 3.32Å; E33-T36 WeakPolarHBondContact CA-OG1 3.44Å; E33-T36 CarbonylContact O-C 3.56Å; E33-T36 PolarHBondContact O-N 3.1Å; E33-T36 PolarHBondContact O-OG1 2.89Å; L34-T36 VanDerWaalsContact C-N 3.31Å; T36-Y38 PolarHBondContact O-N 3.19Å; T36-Y38 VanDerWaalsContact O-N 3.17Å; T36-Y38 WeakPolarHBondContact OG1-CD2 3.46Å
37D85.3Confident89.1Confident145 Ų14561.2 Ų61.278%0.77530%0.3SS*.THydrogen-bonded Turntrans56.922.9-179-63.2-43.5000115.3E33 L34 K35 R39E33-D37 PolarHBondContact O-N 2.93Å; L34-D37 PolarHBondContact O-N 3.31Å; K35-D37 VanDerWaalsContact C-N 3.34Å; D37-R39 VanDerWaalsContact C-N 3.35Å; D37-R39 PolarHBondContact O-N 2.96Å
38Y85.8Confident89Confident199 Ų19961 Ų6178%0.7830%0.298SS*.  trans-75.5-21.6179.7-81.3-62.3000113.6E33 T36E33-Y38 PolarHBondContact O-N 3.35Å; T36-Y38 PolarHBondContact O-N 3.19Å; T36-Y38 VanDerWaalsContact O-N 3.17Å; T36-Y38 WeakPolarHBondContact OG1-CD2 3.46Å
39R85.6Confident88.8Confident81 Ų8160.4 Ų60.431%0.30630%0.296SS..SBendtrans-139.5145.4-175-170.1151.3175.7-143.94.8112.3D37 E43 Q44D37-R39 VanDerWaalsContact C-N 3.35Å; D37-R39 PolarHBondContact O-N 2.96Å; R39-E43 HydrophobicContact CG-CB 4.41Å; R39-E43 IonicContact NE-OE2 3.92Å; R39-Q44 VanDerWaalsContact NH1-OE1 3.09Å
40N88Confident88.6Confident77 Ų7760 Ų6041%0.41230%0.299SS..  trans-66.5130.4-180-175-7000110.9I42 E43 Q44N40-I42 PolarHBondContact O-N 2.92Å; N40-I42 VanDerWaalsContact O-N 3.12Å; N40-I42 PolarHBondContact OD1-N 2.95Å; N40-E43 HydrophobicContact CB-CG 4.23Å; N40-E43 PolarHBondContact O-N 3.03Å; N40-Q44 PolarHBondContact O-N 3.33Å
41P87Confident88.5Confident20 Ų2062.1 Ų62.113%0.1331%0.309CS..Hα-helixtrans-51.8-35178.515.3-31.3000114.1L34 Q44 C45 I106 M107L34-P41 HydrophobicContact CD1-CB 3.87Å; L34-P41 HydrophobicContact CD1-CG 4.45Å; P41-Q44 PolarHBondContact O-N 3.25Å; P41-C45 WeakPolarHBondContact O-CB 3.5Å; P41-C45 PolarHBondContact O-N 3.26Å; P41-C45 PolarHBondContact O-SG 3.32Å; P41-C45 VanDerWaalsContact O-SG 3.33Å; P41-I106 HydrophobicContact CB-CG2 4.01Å; P41-M107 HydrophobicContact CB-CG 4.1Å; P41-M107 HydrophobicContact CG-CG 3.98Å; P41-M107 HydrophobicContact CG-SD 3.8Å
42I86.7Confident88.5Confident88 Ų8862.1 Ų62.145%0.45131%0.309SS..Hα-helixtrans-65.3-46.6179.6-60.8170.9000110.7N40 Q44 C45 N46 P103N40-I42 PolarHBondContact O-N 2.92Å; N40-I42 VanDerWaalsContact O-N 3.12Å; N40-I42 PolarHBondContact OD1-N 2.95Å; I42-Q44 VanDerWaalsContact C-N 3.3Å; I42-Q44 PolarHBondContact O-N 2.8Å; I42-C45 PolarHBondContact O-N 3.16Å; I42-N46 WeakPolarHBondContact O-CB 3.32Å; I42-N46 VanDerWaalsContact O-CG 3.23Å; I42-N46 PolarHBondContact O-N 3.26Å; I42-N46 PolarHBondContact O-ND2 3.25Å; I42-P103 HydrophobicContact CB-CG 4.49Å; I42-P103 HydrophobicContact CG1-CB 3.8Å; I42-P103 HydrophobicContact CG1-CG 4.16Å
43E88.6Confident88.3Confident100 Ų10062.2 Ų62.247%0.46731%0.311SS..Hα-helixtrans-65.2-38178-65.7-178.1-170.400111.4R39 N40 N46 S47R39-E43 HydrophobicContact CG-CB 4.41Å; R39-E43 IonicContact NE-OE2 3.92Å; N40-E43 HydrophobicContact CB-CG 4.23Å; N40-E43 PolarHBondContact O-N 3.03Å; E43-N46 PolarHBondContact O-N 2.79Å; E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 3.31Å
44Q87.2Confident88.3Confident2 Ų261.7 Ų61.71%0.00931%0.314CS..Hα-helixtrans-65-47.6178.9-154.564.122.400111.7A30 R39 N40 P41 I42 N46 S47 L48A30-Q44 HydrophobicContact CB-CG 4.29Å; R39-Q44 VanDerWaalsContact NH1-OE1 3.09Å; N40-Q44 PolarHBondContact O-N 3.33Å; P41-Q44 PolarHBondContact O-N 3.25Å; I42-Q44 VanDerWaalsContact C-N 3.3Å; I42-Q44 PolarHBondContact O-N 2.8Å; Q44-N46 VanDerWaalsContact C-N 3.33Å; Q44-N46 PolarHBondContact O-N 3.05Å; Q44-S47 PolarHBondContact O-N 3.41Å; Q44-L48 HydrophobicContact CG-CD1 4.05Å; Q44-L48 WeakPolarHBondContact O-CB 3.45Å; Q44-L48 WeakPolarHBondContact O-CG 3.3Å; Q44-L48 PolarHBondContact O-N 3.31Å
45C87.2Confident88.5Confident3 Ų361.3 Ų61.32%0.0231%0.312CS..Hα-helixtrans-62.5-40176.5-71.90000111.9P41 I42 S47 L48 N49 P103P41-C45 WeakPolarHBondContact O-CB 3.5Å; P41-C45 PolarHBondContact O-N 3.26Å; P41-C45 PolarHBondContact O-SG 3.32Å; P41-C45 VanDerWaalsContact O-SG 3.33Å; I42-C45 PolarHBondContact O-N 3.16Å; C45-S47 VanDerWaalsContact C-N 3.27Å; C45-S47 PolarHBondContact O-N 2.94Å; C45-L48 PolarHBondContact O-N 2.84Å; C45-N49 WeakPolarHBondContact O-CB 3.31Å; C45-N49 VanDerWaalsContact O-CG 3.24Å; C45-N49 PolarHBondContact O-N 3.24Å; C45-N49 PolarHBondContact O-ND2 2.73Å; C45-P103 HydrophobicContact CB-CG 3.93Å
46N87.4Confident88.7Confident97 Ų9757.6 Ų57.652%0.51930%0.295SS..Hα-helixtrans-65.2-31.2176.3-73.8-17.6000112.7I42 E43 Q44 P50I42-N46 WeakPolarHBondContact O-CB 3.32Å; I42-N46 VanDerWaalsContact O-CG 3.23Å; I42-N46 PolarHBondContact O-N 3.26Å; I42-N46 PolarHBondContact O-ND2 3.25Å; E43-N46 PolarHBondContact O-N 2.79Å; Q44-N46 VanDerWaalsContact C-N 3.33Å; Q44-N46 PolarHBondContact O-N 3.05Å; N46-P50 WeakPolarHBondContact O-CD 3.43Å; N46-P50 VanDerWaalsContact O-CG 3.32Å; N46-P50 WeakPolarHBondContact O-CG 3.48Å
47S88.7Confident88.9Confident36 Ų3656.3 Ų56.325%0.25230%0.295SS..Hα-helixtrans-78.7-37.1176.2-158.60000112.5Y26 E43 Q44 C45Y26-S47 PolarHBondContact OH-OG 3.16Å; E43-S47 WeakPolarHBondContact O-CB 3.39Å; E43-S47 PolarHBondContact O-N 3.31Å; Q44-S47 PolarHBondContact O-N 3.41Å; C45-S47 VanDerWaalsContact C-N 3.27Å; C45-S47 PolarHBondContact O-N 2.94Å
48L89.3Confident89.4Confident1 Ų151.5 Ų51.51%0.00527%0.269CS..Hα-helixtrans-80.9-45.2-176.2-74.3173.5000113.4Y26 A30 F31 Q44 C45 P50 L51 Y101Y26-L48 HydrophobicContact CD1-CD2 4.04Å; Y26-L48 HydrophobicContact CE1-CD2 3.84Å; A30-L48 HydrophobicContact CB-CD1 4Å; A30-L48 HydrophobicContact CB-CD2 3.7Å; A30-L48 HydrophobicContact CB-CG 4.13Å; F31-L48 HydrophobicContact CE1-CD1 3.86Å; F31-L48 HydrophobicContact CZ-CD1 3.95Å; Q44-L48 HydrophobicContact CG-CD1 4.05Å; Q44-L48 WeakPolarHBondContact O-CB 3.45Å; Q44-L48 WeakPolarHBondContact O-CG 3.3Å; Q44-L48 PolarHBondContact O-N 3.31Å; C45-L48 PolarHBondContact O-N 2.84Å; L48-P50 VanDerWaalsContact C-CD 3.47Å; L48-L51 WeakPolarHBondContact O-CB 3.39Å; L48-L51 PolarHBondContact O-N 3.31Å; L48-Y101 HydrophobicContact CB-CD2 4.29Å; L48-Y101 HydrophobicContact CD1-CD2 4.46Å
49N89Confident89.8Confident4 Ų442 Ų422%0.02123%0.231CC..Hα-helixtrans-56-40-171.9-80.7-23000114.3C45 L51 I52 P98 G99 I100 Y101C45-N49 WeakPolarHBondContact O-CB 3.31Å; C45-N49 VanDerWaalsContact O-CG 3.24Å; C45-N49 PolarHBondContact O-N 3.24Å; C45-N49 PolarHBondContact O-ND2 2.73Å; N49-L51 PolarHBondContact O-N 2.79Å; N49-I52 PolarHBondContact O-N 2.92Å; N49-P98 WeakPolarHBondContact CB-O 3.43Å; N49-G99 VanDerWaalsContact CG-CA 3.48Å; N49-G99 WeakPolarHBondContact OD1-CA 3.31Å; N49-I100 PolarHBondContact OD1-N 2.92Å; N49-Y101 PolarHBondContact ND2-O 3.03Å; N49-Y101 PolarHBondContact OD1-N 3.42Å; N49-Y101 VanDerWaalsContact OD1-N 3.08Å
50P88.8Confident90.2Very high77 Ų7742.1 Ų42.150%0.524%0.238SC..Hα-helixtrans-63.9-24.2175.2-24.135.4000114.6N46 L48 P54N46-P50 WeakPolarHBondContact O-CD 3.43Å; N46-P50 VanDerWaalsContact O-CG 3.32Å; N46-P50 WeakPolarHBondContact O-CG 3.48Å; L48-P50 VanDerWaalsContact C-CD 3.47Å; P50-P54 WeakPolarHBondContact O-CD 3.48Å; P50-P54 WeakPolarHBondContact O-CG 3.33Å
51L90.5Very high90.5Very high45 Ų4543.7 Ų43.724%0.23624%0.241CC..Hα-helixtrans-84.4-20.1-176.9-62.3175.1000113.2F23 Y26 L48 N49 P54 E55F23-L51 HydrophobicContact CE1-CD2 4.2Å; F23-L51 HydrophobicContact CZ-CD2 4.39Å; Y26-L51 HydrophobicContact CD1-CD1 3.59Å; Y26-L51 HydrophobicContact CE1-CD1 3.46Å; Y26-L51 VanDerWaalsContact CE1-CD1 3.46Å; L48-L51 WeakPolarHBondContact O-CB 3.39Å; L48-L51 PolarHBondContact O-N 3.31Å; N49-L51 PolarHBondContact O-N 2.79Å; L51-P54 WeakPolarHBondContact O-CD 3.26Å; L51-E55 WeakPolarHBondContact O-CB 3.43Å; L51-E55 PolarHBondContact O-N 3.35Å
52I90.3Very high90.8Very high2 Ų242.8 Ų42.81%0.0124%0.235CC..Hα-helixtrans-66.7-42-177.3-59.1172.3000111.6N49 E55 Y56 I100 Y101N49-I52 PolarHBondContact O-N 2.92Å; I52-E55 WeakPolarHBondContact O-CB 3.48Å; I52-E55 PolarHBondContact O-N 2.95Å; I52-Y56 HydrophobicContact CG2-CD1 4.34Å; I52-Y56 HydrophobicContact CG2-CD2 4.12Å; I52-Y56 HydrophobicContact CG2-CE1 3.99Å; I52-Y56 HydrophobicContact CG2-CE2 3.77Å; I52-Y56 HydrophobicContact CG2-CG 4.41Å; I52-Y56 PolarHBondContact O-N 3.26Å; I52-I100 HydrophobicContact CD1-CB 3.98Å; I52-I100 HydrophobicContact CD1-CD1 4.36Å; I52-I100 HydrophobicContact CD1-CG1 4.08Å; I52-I100 HydrophobicContact CG2-CD1 3.6Å; I52-I100 HydrophobicContact CG2-CG1 4.11Å; I52-Y101 HydrophobicContact CD1-CD2 3.58Å; I52-Y101 HydrophobicContact CD1-CE2 3.46Å; I52-Y101 VanDerWaalsContact CD1-CE2 3.46Å; I52-Y101 HydrophobicContact CG1-CE2 4.19Å
53I89.7Confident91.1Very high78 Ų7838.8 Ų38.840%0.422%0.215SC..Hα-helixtrans-65.9-48.1-178.5-64.2171.7000110.7E55 Y56 G57 P98I53-E55 PolarHBondContact O-N 3.32Å; I53-Y56 PolarHBondContact O-N 3.03Å; I53-G57 PolarHBondContact O-N 3.28Å; I53-P98 HydrophobicContact CD1-CB 3.88Å
54P92.5Very high91.4Very high59 Ų5936.8 Ų36.838%0.38321%0.209SC..Hα-helixtrans-55.8-44169.8-27.834.9000113.7F23 P50 L51 Y56 G57 M58F23-P54 HydrophobicContact CE2-CB 4.46Å; P50-P54 WeakPolarHBondContact O-CD 3.48Å; P50-P54 WeakPolarHBondContact O-CG 3.33Å; L51-P54 WeakPolarHBondContact O-CD 3.26Å; P54-Y56 PolarHBondContact O-N 3.2Å; P54-G57 PolarHBondContact O-N 3.46Å; P54-M58 VanDerWaalsContact O-CB 3.26Å; P54-M58 WeakPolarHBondContact O-CB 3.4Å; P54-M58 VanDerWaalsContact O-CG 3.25Å; P54-M58 WeakPolarHBondContact O-CG 3.37Å; P54-M58 PolarHBondContact O-N 2.96Å
55E93.3Very high91.7Very high4 Ų438 Ų382%0.01922%0.215CC..Hα-helixtrans-55.7-50.8176.4-176.2-164.1145.100111L20 F23 H27 L51 I52 I53 H59 H85 K122L20-E55 HydrophobicContact CD2-CB 4.19Å; L20-E55 HydrophobicContact CD2-CG 3.56Å; F23-E55 HydrophobicContact CD2-CB 4.44Å; H27-E55 IonicContact CE1-OE2 3.62Å; H27-E55 PolarHBondContact CE1-OE2 3.42Å; H27-E55 VanDerWaalsContact CE1-OE2 3.3Å; H27-E55 IonicContact ND1-OE2 3.03Å; H27-E55 IonicContact NE2-OE2 3.25Å; L51-E55 WeakPolarHBondContact O-CB 3.43Å; L51-E55 PolarHBondContact O-N 3.35Å; I52-E55 WeakPolarHBondContact O-CB 3.48Å; I52-E55 PolarHBondContact O-N 2.95Å; I53-E55 PolarHBondContact O-N 3.32Å; E55-H59 WeakPolarHBondContact O-CB 3.32Å; E55-H59 PolarHBondContact O-N 2.83Å; E55-H85 IonicContact OE1-CE1 2.72Å; E55-H85 IonicContact OE1-NE2 2.93Å; E55-K122 IonicContact OE1-NZ 2.82Å; E55-K122 PolarHBondContact OE1-NZ 3.46Å; E55-K122 IonicContact OE2-NZ 3.66Å
56Y93.4Very high92Very high26 Ų2637.9 Ų37.910%0.10221%0.214CC..Hα-helixtrans-70.9-37.7-177.4-68.85.1000111.9I52 I53 P54 H59 L60 H85 Y89 I100I52-Y56 HydrophobicContact CG2-CD1 4.34Å; I52-Y56 HydrophobicContact CG2-CD2 4.12Å; I52-Y56 HydrophobicContact CG2-CE1 3.99Å; I52-Y56 HydrophobicContact CG2-CE2 3.77Å; I52-Y56 HydrophobicContact CG2-CG 4.41Å; I52-Y56 PolarHBondContact O-N 3.26Å; I53-Y56 PolarHBondContact O-N 3.03Å; P54-Y56 PolarHBondContact O-N 3.2Å; Y56-H59 PolarHBondContact O-N 2.81Å; Y56-L60 WeakPolarHBondContact O-CB 3.27Å; Y56-L60 PolarHBondContact O-N 3.1Å; Y56-H85 HydrophobicContact CD1-CB 4.14Å; Y56-H85 AromaticContact CD1-CE1 3.79Å; Y56-H85 AromaticContact CD1-CG 3.77Å; Y56-H85 AromaticContact CD1-ND1 3.35Å; Y56-H85 WeakPolarHBondContact CD1-ND1 3.43Å; Y56-H85 HydrophobicContact CD2-CB 4.16Å; Y56-H85 HydrophobicContact CE1-CB 4.07Å; Y56-H85 AromaticContact CE1-CD2 3.78Å; Y56-H85 AromaticContact CE1-CE1 3.66Å; Y56-H85 AromaticContact CE1-CG 3.57Å; Y56-H85 AromaticContact CE1-ND1 3.5Å; Y56-H85 AromaticContact CE1-NE2 3.84Å; Y56-H85 HydrophobicContact CE2-CB 4.08Å; Y56-H85 HydrophobicContact CG-CB 4.19Å; Y56-H85 AromaticContact CZ-CG 3.94Å; Y56-Y89 HydrophobicContact CD2-CD2 4.47Å; Y56-Y89 HydrophobicContact CE2-CD2 4.38Å; Y56-I100 HydrophobicContact CE2-CD1 3.67Å; Y56-I100 VanDerWaalsContact OH-CD1 3.23Å; Y56-I100 WeakPolarHBondContact OH-CD1 3.36Å
57G93.7Very high92.2Very high39 Ų3937.6 Ų37.640%0.40221%0.213SC..Hα-helixtrans-64.3-44.7176.100000112.2I53 P54 L60 F61I53-G57 PolarHBondContact O-N 3.28Å; P54-G57 PolarHBondContact O-N 3.46Å; G57-L60 PolarHBondContact O-N 2.78Å; G57-F61 VanDerWaalsContact O-CB 3.3Å; G57-F61 WeakPolarHBondContact O-CB 3.46Å; G57-F61 PolarHBondContact O-N 2.78Å
58M94.6Very high92.4Very high44 Ų4442.8 Ų42.822%0.21723%0.231CC..Hα-helixtrans-63.1-42.9174.2-77-168.4-52.900111.8I16 F19 L20 F23 P54 F61 F62I16-M58 HydrophobicContact CG2-CB 3.72Å; I16-M58 HydrophobicContact CG2-CG 4.36Å; I16-M58 HydrophobicContact CG2-SD 4.41Å; F19-M58 HydrophobicContact CB-CE 4.27Å; F19-M58 HydrophobicContact CB-SD 4.28Å; L20-M58 HydrophobicContact CD2-CB 4.34Å; L20-M58 HydrophobicContact CD2-CE 3.73Å; L20-M58 HydrophobicContact CG-CE 4.19Å; F23-M58 HydrophobicContact CD2-CE 3.63Å; F23-M58 HydrophobicContact CE2-CE 3.31Å; F23-M58 HydrophobicContact CZ-CE 4.44Å; P54-M58 VanDerWaalsContact O-CB 3.26Å; P54-M58 WeakPolarHBondContact O-CB 3.4Å; P54-M58 VanDerWaalsContact O-CG 3.25Å; P54-M58 WeakPolarHBondContact O-CG 3.37Å; P54-M58 PolarHBondContact O-N 2.96Å; M58-F61 PolarHBondContact O-N 3.26Å; M58-F62 VanDerWaalsContact O-CD1 3.25Å; M58-F62 WeakPolarHBondContact O-CD1 3.5Å; M58-F62 PolarHBondContact O-N 3.16Å
59H94Very high92.4Very high0 Ų043.2 Ų43.20%023%0.234CC..Hα-helixtrans-62.4-44.8176.7-168.9-164.8000111.7L20 E55 Y56 F61 F62 N63 H85L20-H59 HydrophobicContact CD1-CB 4.47Å; E55-H59 WeakPolarHBondContact O-CB 3.32Å; E55-H59 PolarHBondContact O-N 2.83Å; Y56-H59 PolarHBondContact O-N 2.81Å; H59-F61 PolarHBondContact O-N 2.96Å; H59-F62 HydrophobicContact CB-CE1 4.3Å; H59-F62 AromaticContact CD2-CE1 3.37Å; H59-F62 WeakPolarHBondContact CD2-CE1 3.48Å; H59-F62 AromaticContact CD2-CE2 3.92Å; H59-F62 AromaticContact CD2-CZ 3.13Å; H59-F62 WeakPolarHBondContact CD2-CZ 3.39Å; H59-F62 AromaticContact NE2-CZ 3.68Å; H59-N63 PolarHBondContact CD2-ND2 3.33Å; H59-N63 PolarHBondContact NE2-ND2 3.46Å; H59-N63 PolarHBondContact O-N 2.98Å; H59-N63 PolarHBondContact O-ND2 2.97Å; H59-H85 AromaticContact ND1-CE1 3.52Å; H59-H85 AromaticContact ND1-ND1 3.27Å; H59-H85 PolarHBondContact ND1-ND1 3.5Å
60L94.5Very high92.4Very high83 Ų8349.2 Ų49.244%0.43526%0.263SS..Hα-helixtrans-62-43.3175.1179.364.8000111.6Y56 G57 F62 N63 V64 L82Y56-L60 WeakPolarHBondContact O-CB 3.27Å; Y56-L60 PolarHBondContact O-N 3.1Å; G57-L60 PolarHBondContact O-N 2.78Å; L60-F62 PolarHBondContact O-N 3.36Å; L60-N63 PolarHBondContact O-N 3.37Å; L60-V64 HydrophobicContact CD1-CG2 4.37Å; L60-V64 HydrophobicContact CG-CG2 4.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.39Å; L60-V64 PolarHBondContact O-N 3.04Å; L60-L82 HydrophobicContact CB-CD1 4.27Å; L60-L82 HydrophobicContact CD1-CD1 4.17Å; L60-L82 HydrophobicContact CD1-CD2 4.13Å
61F94.7Very high92.5Very high110 Ų11048 Ų4848%0.48225%0.251SS..Hα-helixtrans-59.6-50-175.9177.6-101.3000112.5I16 G57 M58 H59 N63 V64 L65I16-F61 HydrophobicContact CD1-CD1 3.59Å; I16-F61 HydrophobicContact CD1-CE1 4.02Å; G57-F61 VanDerWaalsContact O-CB 3.3Å; G57-F61 WeakPolarHBondContact O-CB 3.46Å; G57-F61 PolarHBondContact O-N 2.78Å; M58-F61 PolarHBondContact O-N 3.26Å; H59-F61 PolarHBondContact O-N 2.96Å; F61-N63 VanDerWaalsContact C-N 3.31Å; F61-N63 PolarHBondContact O-N 2.93Å; F61-V64 WeakPolarHBondContact O-CB 3.49Å; F61-V64 PolarHBondContact O-N 3.34Å; F61-L65 HydrophobicContact CD1-CD1 4.14Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.22Å; F61-L65 HydrophobicContact CZ-CD1 4.04Å; F61-L65 HydrophobicContact CZ-CD2 4.41Å; F61-L65 HydrophobicContact CZ-CG 4.35Å; F61-L65 PolarHBondContact O-N 3.43Å
62F93Very high92.5Very high1 Ų152.1 Ų52.10%0.00427%0.267CS..Hα-helixtrans-70.9-27.7-18077.3-110.6000112.7A13 I16 L20 M58 H59 L60 V64 L65 F66 N78 Y133A13-F62 HydrophobicContact CB-CB 4.35Å; I16-F62 HydrophobicContact CB-CD1 4.41Å; I16-F62 HydrophobicContact CD1-CB 4.13Å; I16-F62 HydrophobicContact CG2-CD1 3.72Å; I16-F62 HydrophobicContact CG2-CE1 4.29Å; L20-F62 HydrophobicContact CD1-CD1 4.44Å; L20-F62 HydrophobicContact CD1-CE1 3.69Å; M58-F62 VanDerWaalsContact O-CD1 3.25Å; M58-F62 WeakPolarHBondContact O-CD1 3.5Å; M58-F62 PolarHBondContact O-N 3.16Å; H59-F62 HydrophobicContact CB-CE1 4.3Å; H59-F62 AromaticContact CD2-CE1 3.37Å; H59-F62 WeakPolarHBondContact CD2-CE1 3.48Å; H59-F62 AromaticContact CD2-CE2 3.92Å; H59-F62 AromaticContact CD2-CZ 3.13Å; H59-F62 WeakPolarHBondContact CD2-CZ 3.39Å; H59-F62 AromaticContact NE2-CZ 3.68Å; L60-F62 PolarHBondContact O-N 3.36Å; F62-V64 VanDerWaalsContact C-N 3.34Å; F62-L65 WeakPolarHBondContact O-CB 3.46Å; F62-L65 PolarHBondContact O-N 2.89Å; F62-F66 AromaticContact CD2-CD2 3.9Å; F62-F66 HydrophobicContact CD2-CD2 3.9Å; F62-F66 AromaticContact CD2-CE2 3.54Å; F62-F66 HydrophobicContact CD2-CE2 3.54Å; F62-F66 HydrophobicContact CD2-CZ 4.41Å; F62-F66 HydrophobicContact CE2-CD2 4.33Å; F62-F66 AromaticContact CE2-CE2 3.85Å; F62-F66 HydrophobicContact CE2-CE2 3.85Å; F62-F66 PolarHBondContact O-N 3.37Å; F62-N78 WeakPolarHBondContact CE2-OD1 3.33Å; F62-Y133 HydrophobicContact CE2-CE2 4.45Å; F62-Y133 WeakPolarHBondContact CE2-OH 3.28Å
63N93.3Very high92.6Very high4 Ų458.6 Ų58.62%0.02130%0.295CS..Hα-helixtrans-65.7-38.2172-86.5-84.3000111.8H59 L60 F61 L65 F66 L67 L75 N78 L82H59-N63 PolarHBondContact CD2-ND2 3.33Å; H59-N63 PolarHBondContact NE2-ND2 3.46Å; H59-N63 PolarHBondContact O-N 2.98Å; H59-N63 PolarHBondContact O-ND2 2.97Å; L60-N63 PolarHBondContact O-N 3.37Å; F61-N63 VanDerWaalsContact C-N 3.31Å; F61-N63 PolarHBondContact O-N 2.93Å; N63-L65 VanDerWaalsContact C-N 3.33Å; N63-F66 PolarHBondContact O-N 3.2Å; N63-L67 PolarHBondContact O-N 3.32Å; N63-L75 HydrophobicContact CB-CD1 4.23Å; N63-N78 WeakPolarHBondContact OD1-CB 3.31Å; N63-L82 HydrophobicContact CB-CD2 4.07Å
64V94.1Very high92.7Very high57 Ų5754.9 Ų54.935%0.34528%0.276SS..Hα-helixtrans-64.4-38.9172.4170.50000110.8L60 F61 F62 F66 L67 F68L60-V64 HydrophobicContact CD1-CG2 4.37Å; L60-V64 HydrophobicContact CG-CG2 4.48Å; L60-V64 WeakPolarHBondContact O-CG2 3.39Å; L60-V64 PolarHBondContact O-N 3.04Å; F61-V64 WeakPolarHBondContact O-CB 3.49Å; F61-V64 PolarHBondContact O-N 3.34Å; F62-V64 VanDerWaalsContact C-N 3.34Å; V64-F66 PolarHBondContact O-N 3.21Å; V64-L67 WeakPolarHBondContact O-CB 3.49Å; V64-L67 PolarHBondContact O-N 2.93Å; V64-F68 HydrophobicContact CG1-CD2 3.73Å; V64-F68 HydrophobicContact CG1-CE2 3.43Å; V64-F68 VanDerWaalsContact CG1-CE2 3.43Å; V64-F68 WeakPolarHBondContact O-CD2 3.4Å; V64-F68 PolarHBondContact O-N 3.05Å
65L93Very high92.7Very high28 Ų2853.5 Ų53.515%0.14727%0.266CS..Hα-helixtrans-63.1-39.4173.2-65.5179.8000112.4T9 F12 F61 F62 N63 L67 F68 S69T9-L65 HydrophobicContact CG2-CB 3.72Å; F12-L65 HydrophobicContact CB-CD1 4.03Å; F61-L65 HydrophobicContact CD1-CD1 4.14Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.22Å; F61-L65 HydrophobicContact CZ-CD1 4.04Å; F61-L65 HydrophobicContact CZ-CD2 4.41Å; F61-L65 HydrophobicContact CZ-CG 4.35Å; F61-L65 PolarHBondContact O-N 3.43Å; F62-L65 WeakPolarHBondContact O-CB 3.46Å; F62-L65 PolarHBondContact O-N 2.89Å; N63-L65 VanDerWaalsContact C-N 3.33Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.43Å; L65-F68 PolarHBondContact O-N 3.15Å; L65-S69 WeakPolarHBondContact O-CB 3.42Å; L65-S69 PolarHBondContact O-N 3.03Å; L65-S69 PolarHBondContact O-OG 3.32Å
66F93.7Very high92.8Very high0 Ų056.2 Ų56.20%029%0.289CS..Hα-helixtrans-64.1-37.4173.9-72.3-38.7000112.6T9 Y10 A13 F62 N63 V64 S69 M70 E71 L75 Y133T9-F66 HydrophobicContact CG2-CD1 3.48Å; T9-F66 VanDerWaalsContact CG2-CD1 3.48Å; T9-F66 HydrophobicContact CG2-CE1 3.71Å; T9-F66 HydrophobicContact CG2-CG 4.42Å; Y10-F66 AromaticContact CD1-CE1 3.73Å; Y10-F66 HydrophobicContact CD1-CE1 3.73Å; Y10-F66 HydrophobicContact CD1-CZ 4.07Å; Y10-F66 AromaticContact CE1-CE1 3.53Å; Y10-F66 HydrophobicContact CE1-CE1 3.53Å; Y10-F66 AromaticContact CE1-CZ 3.92Å; Y10-F66 HydrophobicContact CE1-CZ 3.92Å; Y10-F66 HydrophobicContact CG-CE1 4.46Å; A13-F66 HydrophobicContact CB-CE1 4.22Å; A13-F66 HydrophobicContact CB-CE2 4.36Å; A13-F66 HydrophobicContact CB-CZ 3.63Å; F62-F66 AromaticContact CD2-CD2 3.9Å; F62-F66 HydrophobicContact CD2-CD2 3.9Å; F62-F66 AromaticContact CD2-CE2 3.54Å; F62-F66 HydrophobicContact CD2-CE2 3.54Å; F62-F66 HydrophobicContact CD2-CZ 4.41Å; F62-F66 HydrophobicContact CE2-CD2 4.33Å; F62-F66 AromaticContact CE2-CE2 3.85Å; F62-F66 HydrophobicContact CE2-CE2 3.85Å; F62-F66 PolarHBondContact O-N 3.37Å; N63-F66 PolarHBondContact O-N 3.2Å; V64-F66 PolarHBondContact O-N 3.21Å; F66-S69 PolarHBondContact O-N 3.1Å; F66-M70 PolarHBondContact O-N 3.5Å; F66-E71 HydrophobicContact CD1-CB 4.2Å; F66-E71 PolarHBondContact O-N 3.12Å; F66-E71 VanDerWaalsContact O-N 3.09Å; F66-L75 HydrophobicContact CB-CB 4.47Å; F66-Y133 HydrophobicContact CE2-CD1 4.5Å; F66-Y133 AromaticContact CE2-CE1 3.68Å; F66-Y133 HydrophobicContact CE2-CE1 3.68Å; F66-Y133 AromaticContact CE2-CZ 3.78Å; F66-Y133 AromaticContact CZ-CD1 3.88Å; F66-Y133 HydrophobicContact CZ-CD1 3.88Å; F66-Y133 AromaticContact CZ-CE1 3.5Å; F66-Y133 HydrophobicContact CZ-CE1 3.5Å; F66-Y133 VanDerWaalsContact CZ-CE1 3.5Å; F66-Y133 AromaticContact CZ-CZ 3.91Å
67L92.8Very high92.8Very high92 Ų9257.8 Ų57.848%0.48230%0.298SS..Hα-helixtrans-61.7-46.8173.9-177.965.9000111.5N63 V64 L65 S69 M70 L75N63-L67 PolarHBondContact O-N 3.32Å; V64-L67 WeakPolarHBondContact O-CB 3.49Å; V64-L67 PolarHBondContact O-N 2.93Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.43Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 3.1Å; L67-M70 PolarHBondContact O-N 3.42Å; L67-L75 HydrophobicContact CD1-CD2 4.05Å
68F91.6Very high92.8Very high144 Ų14455.9 Ų55.963%0.63228%0.279SS*.Hα-helixtrans-67-28.2176.5-75.8-61.9000113.3F5 V64 L65 M70F5-F68 HydrophobicContact CE1-CB 4.06Å; F5-F68 HydrophobicContact CZ-CB 4.23Å; V64-F68 HydrophobicContact CG1-CD2 3.73Å; V64-F68 HydrophobicContact CG1-CE2 3.43Å; V64-F68 VanDerWaalsContact CG1-CE2 3.43Å; V64-F68 WeakPolarHBondContact O-CD2 3.4Å; V64-F68 PolarHBondContact O-N 3.05Å; L65-F68 PolarHBondContact O-N 3.15Å; F68-M70 VanDerWaalsContact C-N 3.26Å; F68-M70 PolarHBondContact O-N 3.48Å
69S89.7Confident92.7Very high10 Ų1057.1 Ų57.17%0.0729%0.289CS..THydrogen-bonded Turntrans-82.4-2.7178.4-53.60000113.3F5 T9 L65 F66 L67 E71F5-S69 WeakPolarHBondContact CD1-OG 3.31Å; F5-S69 WeakPolarHBondContact CE1-OG 3.32Å; T9-S69 WeakPolarHBondContact CB-OG 3.3Å; T9-S69 WeakPolarHBondContact CG2-OG 3.37Å; T9-S69 PolarHBondContact OG1-OG 2.95Å; L65-S69 WeakPolarHBondContact O-CB 3.42Å; L65-S69 PolarHBondContact O-N 3.03Å; L65-S69 PolarHBondContact O-OG 3.32Å; F66-S69 PolarHBondContact O-N 3.1Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 3.1Å; S69-E71 PolarHBondContact O-N 2.93Å
70M89.6Confident92.8Very high131 Ų13161.3 Ų61.365%0.64532%0.316SS*.THydrogen-bonded Turntrans58.226.9-174.2-61-70.7-172.400113.8F66 L67 F68 F72F66-M70 PolarHBondContact O-N 3.5Å; L67-M70 PolarHBondContact O-N 3.42Å; F68-M70 VanDerWaalsContact C-N 3.26Å; F68-M70 PolarHBondContact O-N 3.48Å; M70-F72 VanDerWaalsContact C-N 3.34Å; M70-F72 HydrophobicContact CB-CE2 4.23Å; M70-F72 WeakPolarHBondContact O-CD2 3.5Å; M70-F72 PolarHBondContact O-N 3.47Å; M70-F72 VanDerWaalsContact O-N 3.1Å; M70-F72 HydrophobicContact SD-CE2 4.1Å; M70-F72 HydrophobicContact SD-CZ 3.7Å
71E90.3Very high92.7Very high52 Ų5258.5 Ų58.524%0.24330%0.301CS..  trans-88.470.9-179.7-73.1-68.314300110.5V6 Y10 F66 S69 F73 S74 L75V6-E71 HydrophobicContact CG1-CG 3.96Å; V6-E71 VanDerWaalsContact CG1-OE1 3.29Å; V6-E71 WeakPolarHBondContact CG1-OE1 3.49Å; Y10-E71 HydrophobicContact CE2-CG 4.21Å; Y10-E71 PolarHBondContact OH-OE2 3.25Å; F66-E71 HydrophobicContact CD1-CB 4.2Å; F66-E71 PolarHBondContact O-N 3.12Å; F66-E71 VanDerWaalsContact O-N 3.09Å; S69-E71 PolarHBondContact O-N 2.93Å; E71-F73 VanDerWaalsContact C-N 3.31Å; E71-F73 PolarHBondContact O-N 2.89Å; E71-S74 PolarHBondContact O-N 3.25Å; E71-L75 PolarHBondContact O-N 3.2Å
72F90.3Very high92.6Very high131 Ų13154.4 Ų54.458%0.57528%0.284SS*.Hα-helixtrans-62-34.3-172.3-66-69.6000114.1M70 L75 A76M70-F72 VanDerWaalsContact C-N 3.34Å; M70-F72 HydrophobicContact CB-CE2 4.23Å; M70-F72 WeakPolarHBondContact O-CD2 3.5Å; M70-F72 PolarHBondContact O-N 3.47Å; M70-F72 VanDerWaalsContact O-N 3.1Å; M70-F72 HydrophobicContact SD-CE2 4.1Å; M70-F72 HydrophobicContact SD-CZ 3.7Å; F72-L75 PolarHBondContact O-N 2.73Å; F72-A76 VanDerWaalsContact O-CB 3.31Å; F72-A76 WeakPolarHBondContact O-CB 3.31Å; F72-A76 PolarHBondContact O-N 3.2Å
73F92.3Very high92.7Very high137 Ų13756.9 Ų56.960%0.60131%0.305SS*.Hα-helixtrans-69-45-179.1-176.7-105.1000111.4E71 L75 A76 I77 Y132E71-F73 VanDerWaalsContact C-N 3.31Å; E71-F73 PolarHBondContact O-N 2.89Å; F73-L75 VanDerWaalsContact C-N 3.33Å; F73-L75 PolarHBondContact O-N 3.46Å; F73-A76 PolarHBondContact O-N 3.31Å; F73-I77 HydrophobicContact CD1-CD1 4Å; F73-I77 HydrophobicContact CE1-CD1 3.51Å; F73-I77 HydrophobicContact CE2-CD1 4.49Å; F73-I77 HydrophobicContact CZ-CD1 3.8Å; F73-I77 PolarHBondContact O-N 2.8Å; F73-Y132 HydrophobicContact CD1-CE2 4.25Å; F73-Y132 AromaticContact CD1-CZ 3.98Å; F73-Y132 VanDerWaalsContact CD1-OH 3.25Å; F73-Y132 WeakPolarHBondContact CD1-OH 3.46Å; F73-Y132 AromaticContact CE1-CE2 3.92Å; F73-Y132 HydrophobicContact CE1-CE2 3.92Å
74S92.1Very high92.7Very high0 Ų060.2 Ų60.20%032%0.318CS..Hα-helixtrans-61.9-41.4173.3-61.90000111.4Y10 E71 I77 N78 Y132Y10-S74 PolarHBondContact OH-OG 2.91Å; E71-S74 PolarHBondContact O-N 3.25Å; S74-I77 PolarHBondContact O-N 3.3Å; S74-N78 PolarHBondContact O-N 2.81Å; S74-N78 PolarHBondContact O-ND2 3.27Å; S74-Y132 VanDerWaalsContact OG-CE1 3.3Å; S74-Y132 WeakPolarHBondContact OG-CE1 3.37Å; S74-Y132 PolarHBondContact OG-OH 3.41Å
75L93.6Very high92.6Very high31 Ų3157.6 Ų57.616%0.16230%0.302CS..Hα-helixtrans-61-46174.1-173.865.9000111.5N63 F66 L67 E71 F72 F73 I77 N78 V79N63-L75 HydrophobicContact CB-CD1 4.23Å; F66-L75 HydrophobicContact CB-CB 4.47Å; L67-L75 HydrophobicContact CD1-CD2 4.05Å; E71-L75 PolarHBondContact O-N 3.2Å; F72-L75 PolarHBondContact O-N 2.73Å; F73-L75 VanDerWaalsContact C-N 3.33Å; F73-L75 PolarHBondContact O-N 3.46Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 2.78Å; L75-N78 PolarHBondContact O-N 2.78Å; L75-V79 HydrophobicContact CD1-CG2 4.22Å; L75-V79 HydrophobicContact CG-CG2 4.01Å; L75-V79 VanDerWaalsContact O-CG2 3.23Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 2.91Å
76A93.5Very high92.6Very high61 Ų6160.3 Ų60.350%0.50432%0.316SS..Hα-helixtrans-60.1-36-178.100000113.2F72 F73 N78 P80F72-A76 VanDerWaalsContact O-CB 3.31Å; F72-A76 WeakPolarHBondContact O-CB 3.31Å; F72-A76 PolarHBondContact O-N 3.2Å; F73-A76 PolarHBondContact O-N 3.31Å; A76-N78 VanDerWaalsContact C-N 3.34Å; A76-P80 WeakPolarHBondContact O-CD 3.38Å
77I94.2Very high92.5Very high58 Ų5865.9 Ų65.930%0.29734%0.341SS..Hα-helixtrans-68.3-33.3176.3-69162.6000111.7F73 S74 L75 F125 Y132F73-I77 HydrophobicContact CD1-CD1 4Å; F73-I77 HydrophobicContact CE1-CD1 3.51Å; F73-I77 HydrophobicContact CE2-CD1 4.49Å; F73-I77 HydrophobicContact CZ-CD1 3.8Å; F73-I77 PolarHBondContact O-N 2.8Å; S74-I77 PolarHBondContact O-N 3.3Å; L75-I77 VanDerWaalsContact C-N 3.29Å; L75-I77 PolarHBondContact O-N 2.78Å; I77-F125 HydrophobicContact CG2-CE2 4.06Å; I77-F125 HydrophobicContact CG2-CZ 4.21Å; I77-Y132 HydrophobicContact CD1-CE1 4.46Å
78N94.4Very high92.4Very high0 Ų063 Ų630%033%0.325CS..Hα-helixtrans-89.4-26.8-176.1-73.7-84.5000114.2F62 N63 S74 L75 A76 L81 L82 Y133F62-N78 WeakPolarHBondContact CE2-OD1 3.33Å; N63-N78 WeakPolarHBondContact OD1-CB 3.31Å; S74-N78 PolarHBondContact O-N 2.81Å; S74-N78 PolarHBondContact O-ND2 3.27Å; L75-N78 PolarHBondContact O-N 2.78Å; A76-N78 VanDerWaalsContact C-N 3.34Å; N78-L81 PolarHBondContact O-N 2.82Å; N78-L81 VanDerWaalsContact O-N 3.12Å; N78-L82 PolarHBondContact O-N 3.42Å; N78-Y133 PolarHBondContact ND2-OH 2.97Å; N78-Y133 PolarHBondContact OD1-OH 3.49Å
79V92.8Very high92.3Very high70 Ų7059.8 Ų59.842%0.42431%0.309SS..Hα-helixtrans-52.4-43.8-178.9163.10000113.2L75 L81 L82 A83L75-V79 HydrophobicContact CD1-CG2 4.22Å; L75-V79 HydrophobicContact CG-CG2 4.01Å; L75-V79 VanDerWaalsContact O-CG2 3.23Å; L75-V79 WeakPolarHBondContact O-CG2 3.47Å; L75-V79 PolarHBondContact O-N 2.91Å; V79-L81 PolarHBondContact O-N 3.4Å; V79-L82 PolarHBondContact O-N 3.26Å; V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.37Å; V79-A83 PolarHBondContact O-N 3.49Å
80P94.6Very high92.3Very high87 Ų8764.9 Ų64.957%0.56534%0.335SS*.Hα-helixtrans-58.7-43.7177.6-26.935.3000113.4A76 Y84A76-P80 WeakPolarHBondContact O-CD 3.38Å; P80-Y84 WeakPolarHBondContact O-CB 3.39Å; P80-Y84 PolarHBondContact O-N 2.89Å
81L93.3Very high92.2Very high24 Ų2463.6 Ų63.613%0.12633%0.33CS..Hα-helixtrans-71.8-39179.5-176.267.7000111.3N78 V79 Y84 H85 K122 F125 Y126N78-L81 PolarHBondContact O-N 2.82Å; N78-L81 VanDerWaalsContact O-N 3.12Å; V79-L81 PolarHBondContact O-N 3.4Å; L81-Y84 HydrophobicContact CD1-CD1 4.48Å; L81-Y84 PolarHBondContact O-N 2.78Å; L81-H85 PolarHBondContact O-CD2 3.11Å; L81-H85 PolarHBondContact O-N 3.25Å; L81-K122 HydrophobicContact CD1-CG 4.4Å; L81-F125 HydrophobicContact CB-CE1 4.36Å; L81-F125 HydrophobicContact CB-CZ 4.31Å; L81-F125 HydrophobicContact CD2-CD1 3.3Å; L81-F125 HydrophobicContact CD2-CE1 3.43Å; L81-F125 VanDerWaalsContact CD2-CE1 3.43Å; L81-F125 HydrophobicContact CD2-CG 3.95Å; L81-F125 HydrophobicContact CD2-CZ 4.19Å; L81-Y126 HydrophobicContact CD2-CE1 3.88Å
82L92.9Very high91.8Very high24 Ų2464.9 Ų64.913%0.12633%0.333CS..Hα-helixtrans-64-45.5175.9-17764.1000111.5L60 N63 N78 V79 Y84 H85 I86L60-L82 HydrophobicContact CB-CD1 4.27Å; L60-L82 HydrophobicContact CD1-CD1 4.17Å; L60-L82 HydrophobicContact CD1-CD2 4.13Å; N63-L82 HydrophobicContact CB-CD2 4.07Å; N78-L82 PolarHBondContact O-N 3.42Å; V79-L82 PolarHBondContact O-N 3.26Å; L82-Y84 VanDerWaalsContact C-N 3.29Å; L82-Y84 PolarHBondContact O-N 2.84Å; L82-H85 PolarHBondContact O-N 3.45Å; L82-I86 HydrophobicContact CD1-CD1 4.39Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 WeakPolarHBondContact O-CG1 3.46Å; L82-I86 PolarHBondContact O-N 2.9Å
83A94.1Very high91.1Very high53 Ų5362.4 Ų62.444%0.43833%0.33SS..Hα-helixtrans-60.3-40.8175.100000111.2V79 I86 H87V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.37Å; V79-A83 PolarHBondContact O-N 3.49Å; A83-I86 PolarHBondContact O-N 3.29Å; A83-H87 WeakPolarHBondContact O-CB 3.34Å; A83-H87 PolarHBondContact O-N 3.11Å
84Y93.9Very high90.1Very high75 Ų7563.2 Ų63.229%0.29435%0.345SS..Hα-helixtrans-62.9-43.1174.1176.8-97.7000112.4P80 L81 L82 H87 K88 E118P80-Y84 WeakPolarHBondContact O-CB 3.39Å; P80-Y84 PolarHBondContact O-N 2.89Å; L81-Y84 HydrophobicContact CD1-CD1 4.48Å; L81-Y84 PolarHBondContact O-N 2.78Å; L82-Y84 VanDerWaalsContact C-N 3.29Å; L82-Y84 PolarHBondContact O-N 2.84Å; Y84-H87 PolarHBondContact O-N 3.43Å; Y84-K88 HydrophobicContact CE1-CD 4.03Å; Y84-K88 WeakPolarHBondContact O-CB 3.42Å; Y84-K88 PolarHBondContact O-N 3.42Å; Y84-E118 PolarHBondContact OH-OE1 3.35Å; Y84-E118 PolarHBondContact OH-OE2 2.82Å
85H92.2Very high89.2Confident2 Ų265.7 Ų65.71%0.00936%0.358CS..Hα-helixtrans-61.2-45.1175.3-72.5-174.3000112.2E55 Y56 H59 L81 L82 K88 Y89 K122 Y126E55-H85 IonicContact OE1-CE1 2.72Å; E55-H85 IonicContact OE1-NE2 2.93Å; Y56-H85 HydrophobicContact CD1-CB 4.14Å; Y56-H85 AromaticContact CD1-CE1 3.79Å; Y56-H85 AromaticContact CD1-CG 3.77Å; Y56-H85 AromaticContact CD1-ND1 3.35Å; Y56-H85 WeakPolarHBondContact CD1-ND1 3.43Å; Y56-H85 HydrophobicContact CD2-CB 4.16Å; Y56-H85 HydrophobicContact CE1-CB 4.07Å; Y56-H85 AromaticContact CE1-CD2 3.78Å; Y56-H85 AromaticContact CE1-CE1 3.66Å; Y56-H85 AromaticContact CE1-CG 3.57Å; Y56-H85 AromaticContact CE1-ND1 3.5Å; Y56-H85 AromaticContact CE1-NE2 3.84Å; Y56-H85 HydrophobicContact CE2-CB 4.08Å; Y56-H85 HydrophobicContact CG-CB 4.19Å; Y56-H85 AromaticContact CZ-CG 3.94Å; H59-H85 AromaticContact ND1-CE1 3.52Å; H59-H85 AromaticContact ND1-ND1 3.27Å; H59-H85 PolarHBondContact ND1-ND1 3.5Å; L81-H85 PolarHBondContact O-CD2 3.11Å; L81-H85 PolarHBondContact O-N 3.25Å; L82-H85 PolarHBondContact O-N 3.45Å; H85-K88 PolarHBondContact O-N 3.33Å; H85-Y89 WeakPolarHBondContact O-CB 3.45Å; H85-Y89 PolarHBondContact O-N 2.92Å; H85-K122 WeakPolarHBondContact NE2-CE 3.47Å; H85-K122 PolarHBondContact NE2-NZ 2.84Å; H85-Y126 PolarHBondContact CE1-OH 2.87Å
86I91.8Very high88Confident85 Ų8570.9 Ų70.944%0.43640%0.397SS..Hα-helixtrans-63.6-49.9178-66.7167000110.1L82 A83 K88 Y89 I90L82-I86 HydrophobicContact CD1-CD1 4.39Å; L82-I86 HydrophobicContact CG-CD1 4.06Å; L82-I86 WeakPolarHBondContact O-CG1 3.46Å; L82-I86 PolarHBondContact O-N 2.9Å; A83-I86 PolarHBondContact O-N 3.29Å; I86-K88 VanDerWaalsContact C-N 3.35Å; I86-K88 PolarHBondContact O-N 3.42Å; I86-Y89 PolarHBondContact O-N 3.18Å; I86-I90 HydrophobicContact CG2-CD1 3.62Å; I86-I90 HydrophobicContact CG2-CG1 4.4Å; I86-I90 VanDerWaalsContact O-CG1 3.3Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 2.98Å
87H92.8Very high86.8Confident117 Ų11770.5 Ų70.554%0.54239%0.39SS..Hα-helixtrans-58.7-45.1178.3179.688000111.9A83 Y84 Y89 I90 N91A83-H87 WeakPolarHBondContact O-CB 3.34Å; A83-H87 PolarHBondContact O-N 3.11Å; Y84-H87 PolarHBondContact O-N 3.43Å; H87-Y89 VanDerWaalsContact C-N 3.34Å; H87-Y89 PolarHBondContact O-N 2.92Å; H87-I90 PolarHBondContact O-N 3.27Å; H87-N91 PolarHBondContact CE1-ND2 3.46Å; H87-N91 PolarHBondContact ND1-ND2 3Å; H87-N91 PolarHBondContact NE2-ND2 3.33Å; H87-N91 WeakPolarHBondContact O-CB 3.26Å; H87-N91 PolarHBondContact O-N 2.91Å; H87-N91 PolarHBondContact O-ND2 3.38Å
88K90.6Very high85.9Confident31 Ų3171.5 Ų71.514%0.13540%0.401CS..Hα-helixtrans-64.5-37.9178-171177-177.5-178.40112Y84 H85 I86 I100 E118Y84-K88 HydrophobicContact CE1-CD 4.03Å; Y84-K88 WeakPolarHBondContact O-CB 3.42Å; Y84-K88 PolarHBondContact O-N 3.42Å; H85-K88 PolarHBondContact O-N 3.33Å; I86-K88 VanDerWaalsContact C-N 3.35Å; I86-K88 PolarHBondContact O-N 3.42Å; K88-I100 HydrophobicContact CG-CD1 4.45Å; K88-I100 HydrophobicContact CG-CG2 4.45Å; K88-E118 IonicContact NZ-OE2 2.98Å; K88-E118 PolarHBondContact NZ-OE2 2.9Å
89Y89.1Confident85.2Confident76 Ų7671.6 Ų71.630%0.29840%0.401SS..Hα-helixtrans-72.1-36.5178.3-168.2-106.9000112.6Y56 H85 I86 H87 R92 I100Y56-Y89 HydrophobicContact CD2-CD2 4.47Å; Y56-Y89 HydrophobicContact CE2-CD2 4.38Å; H85-Y89 WeakPolarHBondContact O-CB 3.45Å; H85-Y89 PolarHBondContact O-N 2.92Å; I86-Y89 PolarHBondContact O-N 3.18Å; H87-Y89 VanDerWaalsContact C-N 3.34Å; H87-Y89 PolarHBondContact O-N 2.92Å; Y89-R92 VanDerWaalsContact O-CG 3.27Å; Y89-R92 WeakPolarHBondContact O-CG 3.36Å; Y89-R92 PolarHBondContact O-NH1 3.02Å; Y89-R92 PolarHBondContact OH-NH2 2.67Å; Y89-I100 HydrophobicContact CD2-CD1 4.3Å; Y89-I100 HydrophobicContact CD2-CG1 4.28Å
90I89.1Confident84.8Confident118 Ų11869.1 Ų69.161%0.60539%0.386SS*.Hα-helixtrans-70.8-41.4177.5-68.9170.5000111I86 H87 R92I86-I90 HydrophobicContact CG2-CD1 3.62Å; I86-I90 HydrophobicContact CG2-CG1 4.4Å; I86-I90 VanDerWaalsContact O-CG1 3.3Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 2.98Å; H87-I90 PolarHBondContact O-N 3.27Å; I90-R92 VanDerWaalsContact C-N 3.25Å; I90-R92 PolarHBondContact O-N 2.98Å
91N87.3Confident84.4Confident103 Ų10365.9 Ų65.955%0.55136%0.362SS*.THydrogen-bonded Turntrans-88.421.6-177.2-65.8-29.9000114.1H87H87-N91 PolarHBondContact CE1-ND2 3.46Å; H87-N91 PolarHBondContact ND1-ND2 3Å; H87-N91 PolarHBondContact NE2-ND2 3.33Å; H87-N91 WeakPolarHBondContact O-CB 3.26Å; H87-N91 PolarHBondContact O-N 2.91Å; H87-N91 PolarHBondContact O-ND2 3.38Å
92R82.4Confident84Confident80 Ų8066.3 Ų66.330%0.30236%0.364SS..PPolyproline II helixtrans-78.1149179.275.8178.5-174.8-94.710.1111.3Y89 I90 G99Y89-R92 VanDerWaalsContact O-CG 3.27Å; Y89-R92 WeakPolarHBondContact O-CG 3.36Å; Y89-R92 PolarHBondContact O-NH1 3.02Å; Y89-R92 PolarHBondContact OH-NH2 2.67Å; I90-R92 VanDerWaalsContact C-N 3.25Å; I90-R92 PolarHBondContact O-N 2.98Å; R92-G99 VanDerWaalsContact CD-O 3.24Å; R92-G99 WeakPolarHBondContact CD-O 3.5Å
93P75.4Confident83.6Confident79 Ų7966.5 Ų66.551%0.51337%0.367SS..PPolyproline II helixtrans-62.2144.3168.326.9-32.9000110.3M95P93-M95 WeakPolarHBondContact O-CG 3.18Å; P93-M95 PolarHBondContact O-N 2.92Å
94V71.2Confident83.2Confident153 Ų15369 Ų6993%0.92738%0.377SS*.PPolyproline II helixtrans-70.3122.6178.4-178.20000108.8
95M74.4Confident82.8Confident52 Ų5267.7 Ų67.726%0.25638%0.377SS..  trans-126.8155-177-55.5-157.177.800111P93 S97 D102P93-M95 WeakPolarHBondContact O-CG 3.18Å; P93-M95 PolarHBondContact O-N 2.92Å; M95-S97 VanDerWaalsContact C-N 3.26Å; M95-S97 PolarHBondContact O-N 3.39Å; M95-D102 VanDerWaalsContact CE-CA 3.48Å; M95-D102 HydrophobicContact CE-CB 3.2Å; M95-D102 WeakPolarHBondContact CE-OD1 3.49Å; M95-D102 HydrophobicContact SD-CB 3.73Å
96S67.8Low82.3Confident141 Ų14168 Ų6899%0.98638%0.379SS*.SBendtrans-67-25.6175.6-53.90000113.5
97S69.5Low81.8Confident52 Ų5270.2 Ų70.236%0.36439%0.389SS..SBendtrans-104.9143.7179.8-174.70000111.1M95 G99M95-S97 VanDerWaalsContact C-N 3.26Å; M95-S97 PolarHBondContact O-N 3.39Å; S97-G99 PolarHBondContact O-N 2.93Å; S97-G99 VanDerWaalsContact O-N 3.14Å
98P73.8Confident81.5Confident80 Ų8068.7 Ų68.752%0.51939%0.385SS..SBendtrans-62.2116167.625.9-32.6000109.1N49 I53N49-P98 WeakPolarHBondContact CB-O 3.43Å; I53-P98 HydrophobicContact CD1-CB 3.88Å
99G80Confident81.3Confident1 Ų170.3 Ų70.31%0.0140%0.404CS..SBendtrans171.4172.8-17300000112.5N49 R92 S97N49-G99 VanDerWaalsContact CG-CA 3.48Å; N49-G99 WeakPolarHBondContact OD1-CA 3.31Å; R92-G99 VanDerWaalsContact CD-O 3.24Å; R92-G99 WeakPolarHBondContact CD-O 3.5Å; S97-G99 PolarHBondContact O-N 2.93Å; S97-G99 VanDerWaalsContact O-N 3.14Å
100I85Confident81.3Confident19 Ų1973 Ų7310%0.09742%0.423CS..SBendtrans-114.8-26.1175.2-57.6176.9000110.7N49 I52 Y56 K88 Y89N49-I100 PolarHBondContact OD1-N 2.92Å; I52-I100 HydrophobicContact CD1-CB 3.98Å; I52-I100 HydrophobicContact CD1-CD1 4.36Å; I52-I100 HydrophobicContact CD1-CG1 4.08Å; I52-I100 HydrophobicContact CG2-CD1 3.6Å; I52-I100 HydrophobicContact CG2-CG1 4.11Å; Y56-I100 HydrophobicContact CE2-CD1 3.67Å; Y56-I100 VanDerWaalsContact OH-CD1 3.23Å; Y56-I100 WeakPolarHBondContact OH-CD1 3.36Å; K88-I100 HydrophobicContact CG-CD1 4.45Å; K88-I100 HydrophobicContact CG-CG2 4.45Å; Y89-I100 HydrophobicContact CD2-CD1 4.3Å; Y89-I100 HydrophobicContact CD2-CG1 4.28Å
101Y86.2Confident81.2Confident19 Ų1971.7 Ų71.78%0.07541%0.414CS..  trans-96.2125.7-174.1-55.5-64.4000110.9F31 L48 N49 I52 I106 A115F31-Y101 HydrophobicContact CE1-CD1 4.42Å; F31-Y101 HydrophobicContact CE1-CE1 4.38Å; F31-Y101 HydrophobicContact CE2-CE1 4.46Å; F31-Y101 HydrophobicContact CZ-CD1 4.04Å; F31-Y101 HydrophobicContact CZ-CD2 4.27Å; F31-Y101 AromaticContact CZ-CE1 3.62Å; F31-Y101 HydrophobicContact CZ-CE1 3.62Å; F31-Y101 AromaticContact CZ-CE2 3.87Å; F31-Y101 HydrophobicContact CZ-CE2 3.87Å; F31-Y101 HydrophobicContact CZ-CG 4.36Å; F31-Y101 AromaticContact CZ-CZ 3.54Å; L48-Y101 HydrophobicContact CB-CD2 4.29Å; L48-Y101 HydrophobicContact CD1-CD2 4.46Å; N49-Y101 PolarHBondContact ND2-O 3.03Å; N49-Y101 PolarHBondContact OD1-N 3.42Å; N49-Y101 VanDerWaalsContact OD1-N 3.08Å; I52-Y101 HydrophobicContact CD1-CD2 3.58Å; I52-Y101 HydrophobicContact CD1-CE2 3.46Å; I52-Y101 VanDerWaalsContact CD1-CE2 3.46Å; I52-Y101 HydrophobicContact CG1-CE2 4.19Å; Y101-I106 HydrophobicContact CD1-CD1 3.79Å; Y101-I106 HydrophobicContact CG-CD1 4.38Å; Y101-A115 HydrophobicContact CE1-CB 4.48Å
102D85.6Confident81.3Confident32 Ų3267.6 Ų67.617%0.17139%0.393CS..  trans-102130.7174.817449.6000111M95 T104 T105 I106M95-D102 VanDerWaalsContact CE-CA 3.48Å; M95-D102 HydrophobicContact CE-CB 3.2Å; M95-D102 WeakPolarHBondContact CE-OD1 3.49Å; M95-D102 HydrophobicContact SD-CB 3.73Å; D102-T104 PolarHBondContact O-N 3.39Å; D102-T104 WeakPolarHBondContact OD2-CB 3.37Å; D102-T104 PolarHBondContact OD2-N 3.34Å; D102-T104 PolarHBondContact OD2-OG1 2.94Å; D102-T105 PolarHBondContact O-N 2.91Å; D102-T105 PolarHBondContact OD2-N 3.04Å; D102-T105 PolarHBondContact OD2-OG1 3.13Å; D102-I106 WeakPolarHBondContact O-CB 3.3Å; D102-I106 WeakPolarHBondContact O-CG2 3.33Å; D102-I106 PolarHBondContact O-N 3.13Å
103P84.5Confident81.7Confident29 Ų2967.1 Ų67.119%0.18840%0.396CS..Hα-helixtrans-55.3-31.5178.7-27.434.7000114.7I42 C45 I106 M107I42-P103 HydrophobicContact CB-CG 4.49Å; I42-P103 HydrophobicContact CG1-CB 3.8Å; I42-P103 HydrophobicContact CG1-CG 4.16Å; C45-P103 HydrophobicContact CB-CG 3.93Å; P103-I106 WeakPolarHBondContact O-CG2 3.31Å; P103-M107 WeakPolarHBondContact O-CG 3.38Å
104T84.4Confident82.4Confident104 Ų10470.1 Ų70.164%0.63840%0.397SS*.Hα-helixtrans-81-40179.972.80000111.9D102D102-T104 PolarHBondContact O-N 3.39Å; D102-T104 WeakPolarHBondContact OD2-CB 3.37Å; D102-T104 PolarHBondContact OD2-N 3.34Å; D102-T104 PolarHBondContact OD2-OG1 2.94Å
105T85.2Confident83.4Confident49 Ų4963.1 Ų63.130%0.30136%0.355SS..Hα-helixtrans-72.5-33.4-179.1-51.60000112.2D102 M107 N108 H111D102-T105 PolarHBondContact O-N 2.91Å; D102-T105 PolarHBondContact OD2-N 3.04Å; D102-T105 PolarHBondContact OD2-OG1 3.13Å; T105-M107 VanDerWaalsContact C-N 3.26Å; T105-M107 PolarHBondContact O-N 2.83Å; T105-N108 PolarHBondContact O-N 2.94Å; T105-H111 WeakPolarHBondContact O-CB 3.04Å
106I83.3Confident84.2Confident9 Ų961.3 Ų61.35%0.04635%0.346CS..Hα-helixtrans-68.9-23.9-177.7-156.379.9000112.7F31 L34 P41 Y101 D102 P103 N108 L112 A115F31-I106 HydrophobicContact CD1-CD1 4.27Å; F31-I106 HydrophobicContact CE1-CD1 3.59Å; F31-I106 HydrophobicContact CE1-CG1 4.17Å; F31-I106 HydrophobicContact CZ-CD1 4.39Å; L34-I106 HydrophobicContact CD2-CB 4.38Å; L34-I106 HydrophobicContact CD2-CG1 3.63Å; L34-I106 HydrophobicContact CD2-CG2 3.87Å; P41-I106 HydrophobicContact CB-CG2 4.01Å; Y101-I106 HydrophobicContact CD1-CD1 3.79Å; Y101-I106 HydrophobicContact CG-CD1 4.38Å; D102-I106 WeakPolarHBondContact O-CB 3.3Å; D102-I106 WeakPolarHBondContact O-CG2 3.33Å; D102-I106 PolarHBondContact O-N 3.13Å; P103-I106 WeakPolarHBondContact O-CG2 3.31Å; I106-N108 PolarHBondContact O-N 2.76Å; I106-L112 HydrophobicContact CG1-CD1 4.46Å; I106-A115 HydrophobicContact CD1-CB 4.49Å
107M80Confident85.5Confident130 Ų13062.8 Ų62.864%0.6433%0.33SS*.THydrogen-bonded Turntrans-72.6-16.5178.3-70.5-173.471.900113.2P41 P103 T105 A109P41-M107 HydrophobicContact CB-CG 4.1Å; P41-M107 HydrophobicContact CG-CG 3.98Å; P41-M107 HydrophobicContact CG-SD 3.8Å; P103-M107 WeakPolarHBondContact O-CG 3.38Å; T105-M107 VanDerWaalsContact C-N 3.26Å; T105-M107 PolarHBondContact O-N 2.83Å; M107-A109 PolarHBondContact O-N 3.21Å
108N86.4Confident86.6Confident86 Ų8661.8 Ų61.846%0.4632%0.32SS..SBendtrans-69.6121.9174.7-68.7-22.9000109.7T105 I106 D110 H111 L112T105-N108 PolarHBondContact O-N 2.94Å; I106-N108 PolarHBondContact O-N 2.76Å; N108-D110 PolarHBondContact O-N 3.44Å; N108-D110 VanDerWaalsContact O-N 3.1Å; N108-H111 HydrophobicContact CB-CB 4.2Å; N108-H111 PolarHBondContact O-N 2.75Å; N108-L112 PolarHBondContact O-N 3.37Å
109A85.9Confident87.5Confident64 Ų6458.3 Ų58.353%0.52930%0.298SS..Hα-helixtrans-52.6-37.6-176.800000113.2M107 N113M107-A109 PolarHBondContact O-N 3.21Å; A109-N113 VanDerWaalsContact O-CB 3.32Å; A109-N113 WeakPolarHBondContact O-CB 3.39Å; A109-N113 VanDerWaalsContact O-CG 3.3Å; A109-N113 PolarHBondContact O-N 3.07Å; A109-N113 PolarHBondContact O-ND2 3.21Å
110D89.6Confident88.2Confident132 Ų13265.3 Ų65.371%0.70632%0.324SS*.Hα-helixtrans-67-41.2178.2-65.9-34.9000112.7N108 R114N108-D110 PolarHBondContact O-N 3.44Å; N108-D110 VanDerWaalsContact O-N 3.1Å; D110-R114 WeakPolarHBondContact O-CB 3.22Å; D110-R114 PolarHBondContact O-N 3.49Å
111H87.8Confident88.7Confident91 Ų9167.3 Ų67.342%0.42134%0.344SS..Hα-helixtrans-70.3-41.5178-75-94000111.2T105 N108 R114 A115T105-H111 WeakPolarHBondContact O-CB 3.04Å; N108-H111 HydrophobicContact CB-CB 4.2Å; N108-H111 PolarHBondContact O-N 2.75Å; H111-R114 PolarHBondContact O-N 3.02Å; H111-A115 WeakPolarHBondContact O-CB 3.35Å; H111-A115 PolarHBondContact O-N 3.45Å
112L88.9Confident89.2Confident18 Ų1867.2 Ų67.29%0.09434%0.344CS..Hα-helixtrans-62-49.6176-176.658.4000111.4F31 L34 K35 I106 N108 R114 A115 I116F31-L112 HydrophobicContact CB-CD1 4.15Å; F31-L112 HydrophobicContact CD1-CD1 3.9Å; F31-L112 HydrophobicContact CG-CD1 4.37Å; L34-L112 HydrophobicContact CD2-CD1 3.93Å; L34-L112 HydrophobicContact CG-CD1 4.45Å; K35-L112 HydrophobicContact CB-CD2 3.99Å; K35-L112 HydrophobicContact CG-CD2 4.39Å; I106-L112 HydrophobicContact CG1-CD1 4.46Å; N108-L112 PolarHBondContact O-N 3.37Å; L112-R114 VanDerWaalsContact C-N 3.27Å; L112-R114 PolarHBondContact O-N 2.98Å; L112-A115 PolarHBondContact O-N 3.46Å; L112-A115 VanDerWaalsContact O-N 3.11Å; L112-I116 HydrophobicContact CD1-CD1 4.25Å; L112-I116 HydrophobicContact CD1-CG1 4.45Å; L112-I116 HydrophobicContact CG-CD1 4.04Å; L112-I116 WeakPolarHBondContact O-CG1 3.34Å; L112-I116 PolarHBondContact O-N 3.14Å
113N90.9Very high89.7Confident69 Ų6966.7 Ų66.737%0.36934%0.341SS..Hα-helixtrans-63.1-33.8177.7-76.3-43.9000112.3A109 R117A109-N113 VanDerWaalsContact O-CB 3.32Å; A109-N113 WeakPolarHBondContact O-CB 3.39Å; A109-N113 VanDerWaalsContact O-CG 3.3Å; A109-N113 PolarHBondContact O-N 3.07Å; A109-N113 PolarHBondContact O-ND2 3.21Å; N113-R117 WeakPolarHBondContact O-CB 3.5Å; N113-R117 VanDerWaalsContact O-CG 3.28Å; N113-R117 WeakPolarHBondContact O-CG 3.49Å; N113-R117 PolarHBondContact O-N 2.93Å; N113-R117 VanDerWaalsContact O-N 3.08Å; N113-R117 PolarHBondContact O-NE 3.44Å
114R91.1Very high90.3Very high142 Ų14270.3 Ų70.354%0.53636%0.358SS..Hα-helixtrans-65.5-46.4171.2-177.2178175.7170.65.2111.6D110 H111 L112 I116 R117 E118D110-R114 WeakPolarHBondContact O-CB 3.22Å; D110-R114 PolarHBondContact O-N 3.49Å; H111-R114 PolarHBondContact O-N 3.02Å; L112-R114 VanDerWaalsContact C-N 3.27Å; L112-R114 PolarHBondContact O-N 2.98Å; R114-I116 PolarHBondContact O-N 3.47Å; R114-R117 PolarHBondContact O-N 3Å; R114-E118 HydrophobicContact CG-CG 4.48Å; R114-E118 WeakPolarHBondContact CG-OE1 3.31Å; R114-E118 IonicContact CZ-OE1 2.67Å; R114-E118 IonicContact NE-OE1 3.58Å; R114-E118 PolarHBondContact NE-OE1 3.42Å; R114-E118 IonicContact NH2-OE1 3.78Å; R114-E118 VanDerWaalsContact O-CG 3.3Å; R114-E118 WeakPolarHBondContact O-CG 3.34Å; R114-E118 PolarHBondContact O-N 2.94Å
115A90.6Very high90.8Very high6 Ų667.6 Ų67.65%0.0534%0.338CS..Hα-helixtrans-62-41.7178.600000112.3F31 Y101 I106 H111 L112 E118 G119F31-A115 HydrophobicContact CD1-CB 4.45Å; F31-A115 HydrophobicContact CD2-CB 4.3Å; F31-A115 HydrophobicContact CE1-CB 4.19Å; F31-A115 HydrophobicContact CE2-CB 4.01Å; F31-A115 HydrophobicContact CZ-CB 3.97Å; Y101-A115 HydrophobicContact CE1-CB 4.48Å; I106-A115 HydrophobicContact CD1-CB 4.49Å; H111-A115 WeakPolarHBondContact O-CB 3.35Å; H111-A115 PolarHBondContact O-N 3.45Å; L112-A115 PolarHBondContact O-N 3.46Å; L112-A115 VanDerWaalsContact O-N 3.11Å; A115-E118 PolarHBondContact O-N 2.88Å; A115-G119 PolarHBondContact O-N 3.39Å
116I92.2Very high91.3Very high14 Ų1465.3 Ų65.37%0.07232%0.324CS..Hα-helixtrans-60.9-48.9174.2-69.3170.1000110.6F31 K35 L112 R114 E118 G119 W120F31-I116 HydrophobicContact CB-CD1 4.21Å; F31-I116 HydrophobicContact CB-CG1 3.51Å; F31-I116 HydrophobicContact CG-CG1 4.32Å; K35-I116 HydrophobicContact CB-CD1 4.48Å; K35-I116 HydrophobicContact CD-CD1 3.9Å; L112-I116 HydrophobicContact CD1-CD1 4.25Å; L112-I116 HydrophobicContact CD1-CG1 4.45Å; L112-I116 HydrophobicContact CG-CD1 4.04Å; L112-I116 WeakPolarHBondContact O-CG1 3.34Å; L112-I116 PolarHBondContact O-N 3.14Å; R114-I116 PolarHBondContact O-N 3.47Å; I116-E118 VanDerWaalsContact C-N 3.31Å; I116-E118 PolarHBondContact O-N 3.35Å; I116-G119 WeakPolarHBondContact O-CA 3.47Å; I116-G119 PolarHBondContact O-N 3.46Å; I116-G119 VanDerWaalsContact O-N 3.1Å; I116-W120 VanDerWaalsContact O-CD1 3.27Å; I116-W120 PolarHBondContact O-N 3.41Å
117R94Very high92Very high172 Ų17268 Ų6865%0.64934%0.337SS*.Hα-helixtrans-59.8-41.4177.6-76.4-177.7-64.2-166.91.6112.3N113 R114 G119 W120 A121N113-R117 WeakPolarHBondContact O-CB 3.5Å; N113-R117 VanDerWaalsContact O-CG 3.28Å; N113-R117 WeakPolarHBondContact O-CG 3.49Å; N113-R117 PolarHBondContact O-N 2.93Å; N113-R117 VanDerWaalsContact O-N 3.08Å; N113-R117 PolarHBondContact O-NE 3.44Å; R114-R117 PolarHBondContact O-N 3Å; R117-G119 VanDerWaalsContact C-N 3.33Å; R117-W120 PolarHBondContact O-N 3.27Å; R117-A121 WeakPolarHBondContact O-CB 3.42Å; R117-A121 PolarHBondContact O-N 2.83Å
118E92.7Very high92.8Very high32 Ų3266.7 Ų66.715%0.1533%0.332CS..Hα-helixtrans-63.3-40174.6-71.3172.5-175.500111.3Y84 K88 R114 A115 I116 A121 K122Y84-E118 PolarHBondContact OH-OE1 3.35Å; Y84-E118 PolarHBondContact OH-OE2 2.82Å; K88-E118 IonicContact NZ-OE2 2.98Å; K88-E118 PolarHBondContact NZ-OE2 2.9Å; R114-E118 HydrophobicContact CG-CG 4.48Å; R114-E118 WeakPolarHBondContact CG-OE1 3.31Å; R114-E118 IonicContact CZ-OE1 2.67Å; R114-E118 IonicContact NE-OE1 3.58Å; R114-E118 PolarHBondContact NE-OE1 3.42Å; R114-E118 IonicContact NH2-OE1 3.78Å; R114-E118 VanDerWaalsContact O-CG 3.3Å; R114-E118 WeakPolarHBondContact O-CG 3.34Å; R114-E118 PolarHBondContact O-N 2.94Å; A115-E118 PolarHBondContact O-N 2.88Å; I116-E118 VanDerWaalsContact C-N 3.31Å; I116-E118 PolarHBondContact O-N 3.35Å; E118-A121 PolarHBondContact O-N 2.99Å; E118-K122 WeakPolarHBondContact O-CB 3.4Å; E118-K122 VanDerWaalsContact O-CG 3.32Å; E118-K122 WeakPolarHBondContact O-CG 3.46Å; E118-K122 PolarHBondContact O-N 3.46Å
119G93.3Very high93.2Very high6 Ų662.7 Ų62.76%0.06231%0.311CS..Hα-helixtrans-59-49.5173.600000112.8A115 I116 R117 A121 K122 L123A115-G119 PolarHBondContact O-N 3.39Å; I116-G119 WeakPolarHBondContact O-CA 3.47Å; I116-G119 PolarHBondContact O-N 3.46Å; I116-G119 VanDerWaalsContact O-N 3.1Å; R117-G119 VanDerWaalsContact C-N 3.33Å; G119-A121 PolarHBondContact O-N 3.47Å; G119-K122 PolarHBondContact O-N 2.82Å; G119-L123 WeakPolarHBondContact O-CB 3.36Å; G119-L123 PolarHBondContact O-N 3.29Å
120W95.7Very high93.7Very high148 Ų14862.1 Ų62.156%0.56130%0.296SS*.Hα-helixtrans-63.1-40.1176.3-79.9101.5000113.1I28 I116 R117 L123 L124I28-W120 HydrophobicContact CD1-CD2 4.23Å; I28-W120 HydrophobicContact CD1-CG 4.39Å; I28-W120 HydrophobicContact CG2-CZ2 4.17Å; I116-W120 VanDerWaalsContact O-CD1 3.27Å; I116-W120 PolarHBondContact O-N 3.41Å; R117-W120 PolarHBondContact O-N 3.27Å; W120-L123 HydrophobicContact CE3-CD2 4.13Å; W120-L123 HydrophobicContact CZ3-CD2 4.11Å; W120-L123 PolarHBondContact O-N 3.24Å; W120-L124 WeakPolarHBondContact O-CB 3.38Å; W120-L124 PolarHBondContact O-N 3.35Å
121A95.4Very high94Very high61 Ų6162 Ų6250%0.50429%0.29SS..Hα-helixtrans-64.4-43.4176.500000111.8R117 E118 G119 L124 F125R117-A121 WeakPolarHBondContact O-CB 3.42Å; R117-A121 PolarHBondContact O-N 2.83Å; E118-A121 PolarHBondContact O-N 2.99Å; G119-A121 PolarHBondContact O-N 3.47Å; A121-L124 PolarHBondContact O-N 3.24Å; A121-F125 WeakPolarHBondContact O-CB 3.27Å; A121-F125 PolarHBondContact O-N 2.84Å
122K95.1Very high94.4Very high17 Ų1760 Ų607%0.07428%0.279CS..Hα-helixtrans-62.2-45.2174.1-75.8-178.4177-160.60112E55 L81 H85 E118 G119 L124 F125 Y126E55-K122 IonicContact OE1-NZ 2.82Å; E55-K122 PolarHBondContact OE1-NZ 3.46Å; E55-K122 IonicContact OE2-NZ 3.66Å; L81-K122 HydrophobicContact CD1-CG 4.4Å; H85-K122 WeakPolarHBondContact NE2-CE 3.47Å; H85-K122 PolarHBondContact NE2-NZ 2.84Å; E118-K122 WeakPolarHBondContact O-CB 3.4Å; E118-K122 VanDerWaalsContact O-CG 3.32Å; E118-K122 WeakPolarHBondContact O-CG 3.46Å; E118-K122 PolarHBondContact O-N 3.46Å; G119-K122 PolarHBondContact O-N 2.82Å; K122-L124 PolarHBondContact O-N 3.36Å; K122-F125 PolarHBondContact O-N 3.14Å; K122-Y126 HydrophobicContact CB-CE2 4.27Å; K122-Y126 VanDerWaalsContact O-CD2 3.24Å; K122-Y126 WeakPolarHBondContact O-CD2 3.29Å; K122-Y126 PolarHBondContact O-N 3.42Å
123L96.3Very high94.7Very high21 Ų2159.2 Ų59.211%0.1128%0.275CS..Hα-helixtrans-57.5-49.8177.5177.565.7000110.7L21 A24 I25 I28 G119 W120 F125 Y126 I127L21-L123 HydrophobicContact CD2-CD1 3.96Å; A24-L123 HydrophobicContact CB-CB 4.34Å; A24-L123 HydrophobicContact CB-CD1 4.24Å; I25-L123 HydrophobicContact CD1-CD1 4.47Å; I25-L123 HydrophobicContact CG1-CD1 3.79Å; I28-L123 HydrophobicContact CD1-CB 3.81Å; I28-L123 HydrophobicContact CD1-CD2 3.57Å; I28-L123 HydrophobicContact CD1-CG 4.25Å; G119-L123 WeakPolarHBondContact O-CB 3.36Å; G119-L123 PolarHBondContact O-N 3.29Å; W120-L123 HydrophobicContact CE3-CD2 4.13Å; W120-L123 HydrophobicContact CZ3-CD2 4.11Å; W120-L123 PolarHBondContact O-N 3.24Å; L123-F125 VanDerWaalsContact C-N 3.33Å; L123-F125 PolarHBondContact O-N 2.89Å; L123-Y126 PolarHBondContact O-N 2.96Å; L123-I127 HydrophobicContact CD1-CD1 4.02Å; L123-I127 HydrophobicContact CD1-CG1 4.33Å; L123-I127 HydrophobicContact CG-CD1 3.9Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.27Å; L123-I127 PolarHBondContact O-N 3.41Å
124L96.7Very high94.9Very high105 Ų10558.6 Ų58.655%0.5527%0.271SS..Hα-helixtrans-59.3-44.5178.2-178.662.5000111.8W120 A121 K122 I127 I128W120-L124 WeakPolarHBondContact O-CB 3.38Å; W120-L124 PolarHBondContact O-N 3.35Å; A121-L124 PolarHBondContact O-N 3.24Å; K122-L124 PolarHBondContact O-N 3.36Å; L124-I127 PolarHBondContact O-N 3.49Å; L124-I128 HydrophobicContact CD1-CD1 4.01Å; L124-I128 HydrophobicContact CD1-CG1 4.41Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.43Å; L124-I128 PolarHBondContact O-N 2.93Å
125F96.3Very high95.1Very high47 Ų4759.2 Ų59.221%0.20627%0.274CS..Hα-helixtrans-59.4-48.8176.6179.3-89.2000111.9I77 L81 A121 K122 L123 I127 I128 S129I77-F125 HydrophobicContact CG2-CE2 4.06Å; I77-F125 HydrophobicContact CG2-CZ 4.21Å; L81-F125 HydrophobicContact CB-CE1 4.36Å; L81-F125 HydrophobicContact CB-CZ 4.31Å; L81-F125 HydrophobicContact CD2-CD1 3.3Å; L81-F125 HydrophobicContact CD2-CE1 3.43Å; L81-F125 VanDerWaalsContact CD2-CE1 3.43Å; L81-F125 HydrophobicContact CD2-CG 3.95Å; L81-F125 HydrophobicContact CD2-CZ 4.19Å; A121-F125 WeakPolarHBondContact O-CB 3.27Å; A121-F125 PolarHBondContact O-N 2.84Å; K122-F125 PolarHBondContact O-N 3.14Å; L123-F125 VanDerWaalsContact C-N 3.33Å; L123-F125 PolarHBondContact O-N 2.89Å; F125-I127 VanDerWaalsContact C-N 3.32Å; F125-I127 PolarHBondContact O-N 2.89Å; F125-I128 PolarHBondContact O-N 2.95Å; F125-S129 WeakPolarHBondContact CE1-OG 3.39Å; F125-S129 WeakPolarHBondContact O-CB 3.15Å; F125-S129 PolarHBondContact O-N 3.12Å; F125-S129 PolarHBondContact O-OG 3.4Å; F125-S129 VanDerWaalsContact O-OG 3.12Å
126Y95.9Very high95.2Very high2 Ų259.6 Ų59.61%0.00828%0.277CS..Hα-helixtrans-66.5-32.2-179.8-67.8-43.7000113T17 L20 A24 L81 H85 K122 L123 F130T17-Y126 WeakPolarHBondContact CG2-O 3.46Å; L20-Y126 HydrophobicContact CB-CD1 4.41Å; L20-Y126 HydrophobicContact CB-CD2 4.2Å; L20-Y126 HydrophobicContact CB-CE1 4.33Å; L20-Y126 HydrophobicContact CB-CE2 4.09Å; L20-Y126 HydrophobicContact CB-CG 4.37Å; L20-Y126 HydrophobicContact CD1-CD1 4.47Å; L20-Y126 HydrophobicContact CD1-CE1 3.91Å; A24-Y126 HydrophobicContact CB-CD2 4.16Å; L81-Y126 HydrophobicContact CD2-CE1 3.88Å; H85-Y126 PolarHBondContact CE1-OH 2.87Å; K122-Y126 HydrophobicContact CB-CE2 4.27Å; K122-Y126 VanDerWaalsContact O-CD2 3.24Å; K122-Y126 WeakPolarHBondContact O-CD2 3.29Å; K122-Y126 PolarHBondContact O-N 3.42Å; L123-Y126 PolarHBondContact O-N 2.96Å; Y126-F130 VanDerWaalsContact O-CB 3.25Å; Y126-F130 WeakPolarHBondContact O-CB 3.22Å; Y126-F130 PolarHBondContact O-N 3.41Å
127I96.9Very high95.2Very high65 Ų6560.8 Ų60.833%0.33328%0.282SS..Hα-helixtrans-64.9-48.8174-70.5171.2000110.2L21 L123 L124 F125 F130 F131L21-I127 HydrophobicContact CD2-CG1 3.59Å; L123-I127 HydrophobicContact CD1-CD1 4.02Å; L123-I127 HydrophobicContact CD1-CG1 4.33Å; L123-I127 HydrophobicContact CG-CD1 3.9Å; L123-I127 VanDerWaalsContact O-CG1 3.29Å; L123-I127 WeakPolarHBondContact O-CG1 3.27Å; L123-I127 PolarHBondContact O-N 3.41Å; L124-I127 PolarHBondContact O-N 3.49Å; F125-I127 VanDerWaalsContact C-N 3.32Å; F125-I127 PolarHBondContact O-N 2.89Å; I127-F130 WeakPolarHBondContact O-CB 3.45Å; I127-F130 PolarHBondContact O-N 3.42Å; I127-F131 HydrophobicContact CG2-CD2 4.14Å; I127-F131 HydrophobicContact CG2-CE2 3.83Å; I127-F131 VanDerWaalsContact O-CD2 3.23Å; I127-F131 WeakPolarHBondContact O-CD2 3.48Å; I127-F131 PolarHBondContact O-N 2.94Å
128I96.7Very high95.1Very high102 Ų10256.4 Ų56.452%0.52327%0.271SS..Hα-helixtrans-63.3-46.2179.5-66.8168.7000110.3L124 F125 F130 F131 Y132L124-I128 HydrophobicContact CD1-CD1 4.01Å; L124-I128 HydrophobicContact CD1-CG1 4.41Å; L124-I128 HydrophobicContact CG-CD1 3.98Å; L124-I128 WeakPolarHBondContact O-CG1 3.43Å; L124-I128 PolarHBondContact O-N 2.93Å; F125-I128 PolarHBondContact O-N 2.95Å; I128-F130 VanDerWaalsContact C-N 3.31Å; I128-F130 PolarHBondContact O-N 2.92Å; I128-F131 PolarHBondContact O-N 2.86Å; I128-Y132 WeakPolarHBondContact O-CB 3.38Å; I128-Y132 PolarHBondContact O-N 3.3Å
129S94.7Very high95Very high3 Ų357 Ų572%0.02128%0.279CS..Hα-helixtrans-62.6-35.6177.3-66.80000112.4F125 Y132 Y133F125-S129 WeakPolarHBondContact CE1-OG 3.39Å; F125-S129 WeakPolarHBondContact O-CB 3.15Å; F125-S129 PolarHBondContact O-N 3.12Å; F125-S129 PolarHBondContact O-OG 3.4Å; F125-S129 VanDerWaalsContact O-OG 3.12Å; S129-Y132 PolarHBondContact O-N 3.48Å; S129-Y133 VanDerWaalsContact O-CD2 3.23Å; S129-Y133 WeakPolarHBondContact O-CD2 2.78Å; S129-Y133 PolarHBondContact O-N 3.29Å
130F96.2Very high94.7Very high51 Ų5158 Ų5822%0.22428%0.284CS..Hα-helixtrans-59.8-49.9176180-90.9000111.7L14 T17 A18 L21 Y126 I127 I128 Y132 Y133 L134L14-F130 HydrophobicContact CD2-CE2 3.62Å; L14-F130 HydrophobicContact CD2-CZ 4.06Å; L14-F130 HydrophobicContact CG-CD2 4.25Å; L14-F130 HydrophobicContact CG-CE2 3.76Å; L14-F130 HydrophobicContact CG-CZ 4.28Å; T17-F130 HydrophobicContact CG2-CB 3.95Å; T17-F130 HydrophobicContact CG2-CD2 4.31Å; A18-F130 HydrophobicContact CB-CE2 4.49Å; L21-F130 HydrophobicContact CD1-CB 4.2Å; L21-F130 HydrophobicContact CD1-CD2 4.18Å; L21-F130 HydrophobicContact CD1-CG 4.27Å; Y126-F130 VanDerWaalsContact O-CB 3.25Å; Y126-F130 WeakPolarHBondContact O-CB 3.22Å; Y126-F130 PolarHBondContact O-N 3.41Å; I127-F130 WeakPolarHBondContact O-CB 3.45Å; I127-F130 PolarHBondContact O-N 3.42Å; I128-F130 VanDerWaalsContact C-N 3.31Å; I128-F130 PolarHBondContact O-N 2.92Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 2.86Å; F130-Y133 PolarHBondContact O-N 3.44Å; F130-L134 WeakPolarHBondContact O-CB 3.45Å; F130-L134 PolarHBondContact O-N 3.04Å
131F96.8Very high94.3Very high129 Ų12954.8 Ų54.857%0.56628%0.277SS*.Hα-helixtrans-65.6-36.5177.5-71.7-63.9000112.3I127 I128 L134 Y135I127-F131 HydrophobicContact CG2-CD2 4.14Å; I127-F131 HydrophobicContact CG2-CE2 3.83Å; I127-F131 VanDerWaalsContact O-CD2 3.23Å; I127-F131 WeakPolarHBondContact O-CD2 3.48Å; I127-F131 PolarHBondContact O-N 2.94Å; I128-F131 PolarHBondContact O-N 2.86Å; F131-L134 PolarHBondContact O-N 2.95Å; F131-Y135 WeakPolarHBondContact O-CB 3.41Å; F131-Y135 PolarHBondContact O-N 3.49Å
132Y95.8Very high93.8Very high50 Ų5054.8 Ų54.820%0.19627%0.27CS..Hα-helixtrans-64.1-46.7175171.1-99.9000112.1F73 S74 I77 I128 S129 F130 L134 Y135 C136F73-Y132 HydrophobicContact CD1-CE2 4.25Å; F73-Y132 AromaticContact CD1-CZ 3.98Å; F73-Y132 VanDerWaalsContact CD1-OH 3.25Å; F73-Y132 WeakPolarHBondContact CD1-OH 3.46Å; F73-Y132 AromaticContact CE1-CE2 3.92Å; F73-Y132 HydrophobicContact CE1-CE2 3.92Å; S74-Y132 VanDerWaalsContact OG-CE1 3.3Å; S74-Y132 WeakPolarHBondContact OG-CE1 3.37Å; S74-Y132 PolarHBondContact OG-OH 3.41Å; I77-Y132 HydrophobicContact CD1-CE1 4.46Å; I128-Y132 WeakPolarHBondContact O-CB 3.38Å; I128-Y132 PolarHBondContact O-N 3.3Å; S129-Y132 PolarHBondContact O-N 3.48Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 2.86Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 3.49Å; Y132-Y135 WeakPolarHBondContact O-CB 3.42Å; Y132-Y135 PolarHBondContact O-N 3.34Å; Y132-C136 WeakPolarHBondContact CE2-SG 3.35Å; Y132-C136 PolarHBondContact O-N 2.91Å; Y132-C136 PolarHBondContact O-SG 3.19Å; Y132-C136 PolarHBondContact OH-SG 3.42Å
133Y95Very high93.3Very high1 Ų156 Ų560%0.00428%0.284CS..Hα-helixtrans-65.1-37.4176.4-59.9-28.2000112.4Y10 A13 T17 F62 F66 N78 S129 F130 Y135 C136 M137Y10-Y133 HydrophobicContact CD1-CD1 4.04Å; Y10-Y133 HydrophobicContact CD1-CG 4.45Å; Y10-Y133 HydrophobicContact CE1-CD1 4.03Å; A13-Y133 HydrophobicContact CB-CD2 4.06Å; A13-Y133 HydrophobicContact CB-CE2 4.27Å; A13-Y133 HydrophobicContact CB-CG 4.35Å; T17-Y133 WeakPolarHBondContact OG1-CD2 3.3Å; T17-Y133 VanDerWaalsContact OG1-CE2 3.29Å; T17-Y133 WeakPolarHBondContact OG1-CE2 3.2Å; F62-Y133 HydrophobicContact CE2-CE2 4.45Å; F62-Y133 WeakPolarHBondContact CE2-OH 3.28Å; F66-Y133 HydrophobicContact CE2-CD1 4.5Å; F66-Y133 AromaticContact CE2-CE1 3.68Å; F66-Y133 HydrophobicContact CE2-CE1 3.68Å; F66-Y133 AromaticContact CE2-CZ 3.78Å; F66-Y133 AromaticContact CZ-CD1 3.88Å; F66-Y133 HydrophobicContact CZ-CD1 3.88Å; F66-Y133 AromaticContact CZ-CE1 3.5Å; F66-Y133 HydrophobicContact CZ-CE1 3.5Å; F66-Y133 VanDerWaalsContact CZ-CE1 3.5Å; F66-Y133 AromaticContact CZ-CZ 3.91Å; N78-Y133 PolarHBondContact ND2-OH 2.97Å; N78-Y133 PolarHBondContact OD1-OH 3.49Å; S129-Y133 VanDerWaalsContact O-CD2 3.23Å; S129-Y133 WeakPolarHBondContact O-CD2 2.78Å; S129-Y133 PolarHBondContact O-N 3.29Å; F130-Y133 PolarHBondContact O-N 3.44Å; Y133-Y135 VanDerWaalsContact C-N 3.34Å; Y133-C136 PolarHBondContact O-N 3.3Å; Y133-M137 VanDerWaalsContact O-CB 3.24Å; Y133-M137 WeakPolarHBondContact O-CB 3.5Å; Y133-M137 PolarHBondContact O-N 3Å
134L94.8Very high92.4Very high56 Ų5657.1 Ų57.129%0.29329%0.293SS..Hα-helixtrans-60-46172.4179.865.9000111L14 F130 F131 Y132 M137 I138L14-L134 HydrophobicContact CD1-CB 4.08Å; L14-L134 HydrophobicContact CD1-CD1 3.89Å; F130-L134 WeakPolarHBondContact O-CB 3.45Å; F130-L134 PolarHBondContact O-N 3.04Å; F131-L134 PolarHBondContact O-N 2.95Å; Y132-L134 VanDerWaalsContact C-N 3.33Å; Y132-L134 PolarHBondContact O-N 3.49Å; L134-M137 HydrophobicContact CD1-CE 4.04Å; L134-M137 PolarHBondContact O-N 2.91Å; L134-I138 HydrophobicContact CD1-CD1 4.08Å; L134-I138 HydrophobicContact CG-CD1 4.05Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 3.36Å
135Y95Very high91.5Very high155 Ų15555.5 Ų55.561%0.60829%0.285SS*.Hα-helixtrans-60.2-52176.1173.6-96.6000111.6F131 Y132 Y133 M137 I138 S139F131-Y135 WeakPolarHBondContact O-CB 3.41Å; F131-Y135 PolarHBondContact O-N 3.49Å; Y132-Y135 WeakPolarHBondContact O-CB 3.42Å; Y132-Y135 PolarHBondContact O-N 3.34Å; Y133-Y135 VanDerWaalsContact C-N 3.34Å; Y135-M137 VanDerWaalsContact C-N 3.34Å; Y135-M137 PolarHBondContact O-N 3.45Å; Y135-I138 PolarHBondContact O-N 2.9Å; Y135-I138 VanDerWaalsContact O-N 3.15Å; Y135-S139 PolarHBondContact O-N 3.24Å; Y135-S139 PolarHBondContact O-OG 3.37Å
136C93Very high90.3Very high14 Ų1458.8 Ų58.810%0.09530%0.302CS..Hα-helixtrans-60.9-40.5179.2-69.50000112.6Y10 Y132 Y133 S139 T140Y10-C136 HydrophobicContact CD1-CB 3.79Å; Y10-C136 HydrophobicContact CD2-CB 4.04Å; Y10-C136 HydrophobicContact CE1-CB 3.48Å; Y10-C136 VanDerWaalsContact CE1-CB 3.48Å; Y10-C136 HydrophobicContact CE2-CB 3.76Å; Y10-C136 HydrophobicContact CG-CB 4.08Å; Y10-C136 VanDerWaalsContact CZ-CB 3.49Å; Y132-C136 WeakPolarHBondContact CE2-SG 3.35Å; Y132-C136 PolarHBondContact O-N 2.91Å; Y132-C136 PolarHBondContact O-SG 3.19Å; Y132-C136 PolarHBondContact OH-SG 3.42Å; Y133-C136 PolarHBondContact O-N 3.3Å; C136-S139 PolarHBondContact O-N 3.37Å; C136-T140 WeakPolarHBondContact O-CB 3.29Å; C136-T140 VanDerWaalsContact O-CG2 3.22Å; C136-T140 WeakPolarHBondContact O-CG2 3.39Å; C136-T140 PolarHBondContact O-N 2.92Å; C136-T140 PolarHBondContact O-OG1 3.47Å
137M92.1Very high89Confident40 Ų4063.7 Ų63.720%0.19733%0.328CS..Hα-helixtrans-59.9-46.6174.1-173.8-155.569.700111.1I11 Y133 L134 Y135 T140 L141I11-M137 HydrophobicContact CG1-CG 4.02Å; I11-M137 HydrophobicContact CG1-SD 3.78Å; Y133-M137 VanDerWaalsContact O-CB 3.24Å; Y133-M137 WeakPolarHBondContact O-CB 3.5Å; Y133-M137 PolarHBondContact O-N 3Å; L134-M137 HydrophobicContact CD1-CE 4.04Å; L134-M137 PolarHBondContact O-N 2.91Å; Y135-M137 VanDerWaalsContact C-N 3.34Å; Y135-M137 PolarHBondContact O-N 3.45Å; M137-T140 PolarHBondContact O-OG1 3.43Å; M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 PolarHBondContact O-N 3.34Å
138I92.2Very high87.5Confident80 Ų8064.5 Ų64.541%0.4134%0.344SS..Hα-helixtrans-65.8-47178.9-67.3167.9000110.6L134 Y135 T140 L141 V142L134-I138 HydrophobicContact CD1-CD1 4.08Å; L134-I138 HydrophobicContact CG-CD1 4.05Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 3.36Å; Y135-I138 PolarHBondContact O-N 2.9Å; Y135-I138 VanDerWaalsContact O-N 3.15Å; I138-T140 VanDerWaalsContact C-N 3.34Å; I138-T140 PolarHBondContact O-N 2.92Å; I138-L141 PolarHBondContact O-N 3.09Å; I138-V142 HydrophobicContact CG2-CG2 4.07Å; I138-V142 WeakPolarHBondContact O-CB 3.26Å; I138-V142 VanDerWaalsContact O-CG2 3.24Å; I138-V142 WeakPolarHBondContact O-CG2 3.49Å; I138-V142 PolarHBondContact O-N 2.79Å
139S90Very high85.9Confident44 Ų4467 Ų6731%0.30835%0.352SS..Hα-helixtrans-59.6-43.9179.4-63.60000112Y135 C136 V142 A143Y135-S139 PolarHBondContact O-N 3.24Å; Y135-S139 PolarHBondContact O-OG 3.37Å; C136-S139 PolarHBondContact O-N 3.37Å; S139-V142 PolarHBondContact O-N 2.82Å; S139-A143 WeakPolarHBondContact O-CB 3.48Å; S139-A143 PolarHBondContact O-N 2.82Å
140T88.2Confident84.3Confident27 Ų2770.5 Ų70.517%0.16637%0.373CS..Hα-helixtrans-69.8-36.7178.353.70000112.4V6 Y10 C136 M137 I138 S144V6-T140 HydrophobicContact CG1-CG2 3.91Å; Y10-T140 HydrophobicContact CE2-CG2 4.45Å; C136-T140 WeakPolarHBondContact O-CB 3.29Å; C136-T140 VanDerWaalsContact O-CG2 3.22Å; C136-T140 WeakPolarHBondContact O-CG2 3.39Å; C136-T140 PolarHBondContact O-N 2.92Å; C136-T140 PolarHBondContact O-OG1 3.47Å; M137-T140 PolarHBondContact O-OG1 3.43Å; I138-T140 VanDerWaalsContact C-N 3.34Å; I138-T140 PolarHBondContact O-N 2.92Å; T140-S144 WeakPolarHBondContact O-CB 3.26Å; T140-S144 PolarHBondContact O-N 2.94Å
141L87.5Confident83.1Confident81 Ų8170.2 Ų70.242%0.42437%0.374SS..Hα-helixtrans-65.5-46173.6-167.992.3000111.2M137 I138 S144 I145M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 PolarHBondContact O-N 3.34Å; I138-L141 PolarHBondContact O-N 3.09Å; L141-S144 PolarHBondContact O-N 2.96Å; L141-I145 HydrophobicContact CD2-CD1 4.01Å; L141-I145 HydrophobicContact CG-CD1 3.98Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 2.89Å; L141-I145 PolarHBondContact O-N 3.48Å
142V85.6Confident82.1Confident60 Ų6071.2 Ų71.236%0.36439%0.385SS..Hα-helixtrans-64.3-44.6179170.40000110.6I138 S139 S144 I145 M146I138-V142 HydrophobicContact CG2-CG2 4.07Å; I138-V142 WeakPolarHBondContact O-CB 3.26Å; I138-V142 VanDerWaalsContact O-CG2 3.24Å; I138-V142 WeakPolarHBondContact O-CG2 3.49Å; I138-V142 PolarHBondContact O-N 2.79Å; S139-V142 PolarHBondContact O-N 2.82Å; V142-S144 VanDerWaalsContact C-N 3.32Å; V142-S144 PolarHBondContact O-N 3.46Å; V142-I145 PolarHBondContact O-N 3Å; V142-M146 HydrophobicContact CG1-CE 3.71Å; V142-M146 HydrophobicContact CG1-CG 4.29Å; V142-M146 HydrophobicContact CG1-SD 4.05Å; V142-M146 WeakPolarHBondContact O-CB 3.43Å; V142-M146 WeakPolarHBondContact O-CG 3.33Å; V142-M146 PolarHBondContact O-N 3.48Å
143A82.9Confident81.5Confident43 Ų4370.3 Ų70.336%0.35538%0.382SS..Hα-helixtrans-57.7-46.4174.500000111.2S139 I145 M146 D147S139-A143 WeakPolarHBondContact O-CB 3.48Å; S139-A143 PolarHBondContact O-N 2.82Å; A143-I145 VanDerWaalsContact C-N 3.33Å; A143-I145 PolarHBondContact O-N 3.14Å; A143-M146 PolarHBondContact O-N 3.36Å; A143-D147 PolarHBondContact O-N 3.31Å
144S78.5Confident81.2Confident44 Ų4471.4 Ų71.431%0.30839%0.388SS..Hα-helixtrans-61.7-38.7176.5-175.40000113T140 L141 V142 A148T140-S144 WeakPolarHBondContact O-CB 3.26Å; T140-S144 PolarHBondContact O-N 2.94Å; L141-S144 PolarHBondContact O-N 2.96Å; V142-S144 VanDerWaalsContact C-N 3.32Å; V142-S144 PolarHBondContact O-N 3.46Å; S144-A148 WeakPolarHBondContact O-CB 3.48Å; S144-A148 PolarHBondContact O-N 3.18Å; S144-A148 VanDerWaalsContact O-N 3.08Å
145I77.5Confident80.9Confident72 Ų7268.8 Ų68.837%0.36937%0.374SS..Hα-helixtrans-69.3-38.4176-69164.2000111.1L141 V142 A143 A148 K149L141-I145 HydrophobicContact CD2-CD1 4.01Å; L141-I145 HydrophobicContact CG-CD1 3.98Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 2.89Å; L141-I145 PolarHBondContact O-N 3.48Å; V142-I145 PolarHBondContact O-N 3Å; A143-I145 VanDerWaalsContact C-N 3.33Å; A143-I145 PolarHBondContact O-N 3.14Å; I145-A148 PolarHBondContact O-N 2.91Å; I145-K149 HydrophobicContact CG2-CD 3.88Å; I145-K149 HydrophobicContact CG2-CG 4.5Å; I145-K149 WeakPolarHBondContact O-CB 3.34Å; I145-K149 WeakPolarHBondContact O-CG 3.43Å; I145-K149 PolarHBondContact O-N 3.33Å; I145-K149 VanDerWaalsContact O-N 3.08Å
146M71.8Confident80.7Confident116 Ų11661.6 Ų61.657%0.57135%0.346SS*.Hα-helixtrans-63.2-52.2176.2-75.2-179172.900109.8V142 A143 A148 K149 T150V142-M146 HydrophobicContact CG1-CE 3.71Å; V142-M146 HydrophobicContact CG1-CG 4.29Å; V142-M146 HydrophobicContact CG1-SD 4.05Å; V142-M146 WeakPolarHBondContact O-CB 3.43Å; V142-M146 WeakPolarHBondContact O-CG 3.33Å; V142-M146 PolarHBondContact O-N 3.48Å; A143-M146 PolarHBondContact O-N 3.36Å; M146-A148 PolarHBondContact O-N 2.96Å; M146-A148 VanDerWaalsContact O-N 3.17Å; M146-K149 CarbonylContact O-C 3.52Å; M146-K149 PolarHBondContact O-N 2.84Å; M146-T150 PolarHBondContact O-N 3.41Å; M146-T150 PolarHBondContact O-OG1 3.19Å
147D68.3Low80.6Confident105 Ų10567.5 Ų67.556%0.56137%0.372SS*.Hα-helixtrans-57.4-33.3177.1-69.4-28.1000112.9A143A143-D147 PolarHBondContact O-N 3.31Å
148A65.3Low80.5Confident81 Ų8166.7 Ų66.767%0.66937%0.368SS*.Hα-helixtrans-74.8-26.3176.300000113.3S144 I145 M146S144-A148 WeakPolarHBondContact O-CB 3.48Å; S144-A148 PolarHBondContact O-N 3.18Å; S144-A148 VanDerWaalsContact O-N 3.08Å; I145-A148 PolarHBondContact O-N 2.91Å; M146-A148 PolarHBondContact O-N 2.96Å; M146-A148 VanDerWaalsContact O-N 3.17Å
149K63Low80.5Confident156 Ų15663.1 Ų63.168%0.67835%0.35SS*.Hα-helixtrans-98.9-25.9-177-72.7179.3180177.30113.1I145 M146 L151I145-K149 HydrophobicContact CG2-CD 3.88Å; I145-K149 HydrophobicContact CG2-CG 4.5Å; I145-K149 WeakPolarHBondContact O-CB 3.34Å; I145-K149 WeakPolarHBondContact O-CG 3.43Å; I145-K149 PolarHBondContact O-N 3.33Å; I145-K149 VanDerWaalsContact O-N 3.08Å; M146-K149 CarbonylContact O-C 3.52Å; M146-K149 PolarHBondContact O-N 2.84Å; K149-L151 PolarHBondContact O-N 2.97Å
150T61.5Low80.5Confident75 Ų7566.6 Ų66.646%0.4637%0.365SS..  trans-97.291.5178.354.90000109.6M146 D152M146-T150 PolarHBondContact O-N 3.41Å; M146-T150 PolarHBondContact O-OG1 3.19Å; T150-D152 PolarHBondContact O-N 3.44Å
151L70.2Confident80.6Confident46 Ų4666.4 Ų66.424%0.24136%0.363CS..  trans-73.2112.3156.6-69153.3000107.2K149 F153 P155 I206 Y216K149-L151 PolarHBondContact O-N 2.97Å; L151-F153 WeakPolarHBondContact CB-O 3.35Å; L151-F153 HydrophobicContact CD2-CE1 3.93Å; L151-F153 HydrophobicContact CD2-CE2 4.11Å; L151-F153 HydrophobicContact CD2-CZ 3.63Å; L151-F153 PolarHBondContact O-N 3.27Å; L151-F153 VanDerWaalsContact O-N 3.14Å; L151-P155 HydrophobicContact CD1-CG 4.07Å; L151-I206 HydrophobicContact CD1-CD1 3.34Å; L151-I206 HydrophobicContact CD2-CD1 3.47Å; L151-I206 VanDerWaalsContact CD2-CD1 3.47Å; L151-I206 HydrophobicContact CG-CD1 3.92Å; L151-Y216 HydrophobicContact CD1-CD2 3.84Å; L151-Y216 HydrophobicContact CD1-CE2 3.6Å
152D77Confident80.7Confident150 Ų15067.7 Ų67.780%0.80237%0.374SS*.SBendtrans-69-2172.7-63.4-26.2000112.6T150T150-D152 PolarHBondContact O-N 3.44Å
153F83.2Confident80.3Confident31 Ų3170 Ų7014%0.13639%0.385CS..SBendtrans-138.2149.1-177.462.3-89.6000110.6L151 P155 L158 K199 R202 A203L151-F153 WeakPolarHBondContact CB-O 3.35Å; L151-F153 HydrophobicContact CD2-CE1 3.93Å; L151-F153 HydrophobicContact CD2-CE2 4.11Å; L151-F153 HydrophobicContact CD2-CZ 3.63Å; L151-F153 PolarHBondContact O-N 3.27Å; L151-F153 VanDerWaalsContact O-N 3.14Å; F153-P155 HydrophobicContact CE2-CG 4.28Å; F153-P155 WeakPolarHBondContact O-CD 3.34Å; F153-L158 HydrophobicContact CD2-CB 4.09Å; F153-L158 HydrophobicContact CD2-CD2 3.63Å; F153-L158 HydrophobicContact CD2-CG 4.45Å; F153-L158 HydrophobicContact CE2-CD2 3.58Å; F153-L158 HydrophobicContact CG-CD2 4.38Å; F153-L158 HydrophobicContact CZ-CD2 4.29Å; F153-K199 HydrophobicContact CD1-CB 4.16Å; F153-K199 HydrophobicContact CD1-CD 3.92Å; F153-K199 HydrophobicContact CD1-CG 3.87Å; F153-K199 HydrophobicContact CE1-CB 3.72Å; F153-K199 HydrophobicContact CE1-CD 4.19Å; F153-K199 HydrophobicContact CE1-CG 3.59Å; F153-K199 HydrophobicContact CE2-CB 4.35Å; F153-K199 HydrophobicContact CZ-CB 3.82Å; F153-K199 HydrophobicContact CZ-CG 4.22Å; F153-K199 VanDerWaalsContact CZ-O 3.29Å; F153-K199 WeakPolarHBondContact CZ-O 3.29Å; F153-R202 HydrophobicContact CZ-CB 4.1Å; F153-A203 HydrophobicContact CE2-CB 4.14Å
154D88.2Confident80.3Confident24 Ų2471.2 Ų71.213%0.12840%0.402CS..  trans-79.9118.1169.5-169.4-3.8000109Y156 E157 L158 Y216 R220D154-Y156 PolarHBondContact O-N 3.39Å; D154-Y156 PolarHBondContact OD1-N 3.2Å; D154-E157 HydrophobicContact CB-CB 4.02Å; D154-E157 HydrophobicContact CB-CG 3.83Å; D154-E157 PolarHBondContact O-N 3.25Å; D154-E157 VanDerWaalsContact O-N 3.12Å; D154-L158 PolarHBondContact O-N 3.48Å; D154-Y216 PolarHBondContact OD1-OH 3.2Å; D154-R220 IonicContact OD1-NE 3.92Å; D154-R220 IonicContact OD2-CZ 3.32Å; D154-R220 VanDerWaalsContact OD2-CZ 3.25Å; D154-R220 IonicContact OD2-NE 3.64Å; D154-R220 PolarHBondContact OD2-NE 2.72Å; D154-R220 IonicContact OD2-NH2 3.25Å; D154-R220 PolarHBondContact OD2-NH2 3.42Å
155P88.6Confident80.6Confident0 Ų069.8 Ų69.80%039%0.391CS..Hα-helixtrans-55.1-32.8177.4-28.439000113.4L151 F153 L159 A203 I206 L207 Y216L151-P155 HydrophobicContact CD1-CG 4.07Å; F153-P155 HydrophobicContact CE2-CG 4.28Å; F153-P155 WeakPolarHBondContact O-CD 3.34Å; P155-L159 WeakPolarHBondContact O-CB 3.33Å; P155-L159 PolarHBondContact O-N 2.92Å; P155-A203 HydrophobicContact CB-CB 3.88Å; P155-I206 HydrophobicContact CG-CD1 4.36Å; P155-L207 HydrophobicContact CB-CD1 3.74Å; P155-L207 HydrophobicContact CB-CD2 4.47Å; P155-L207 HydrophobicContact CB-CG 4Å; P155-Y216 WeakPolarHBondContact CD-OH 3.44Å; P155-Y216 HydrophobicContact CG-CE1 4.25Å; P155-Y216 HydrophobicContact CG-CE2 4.32Å
156Y90.7Very high81.2Confident4 Ų469.9 Ų69.92%0.01640%0.395CS..Hα-helixtrans-67.2-46.4176.5-71.2-77.2000111.6D154 L159 D160 L161 L207 R213 Y216 D217D154-Y156 PolarHBondContact O-N 3.39Å; D154-Y156 PolarHBondContact OD1-N 3.2Å; Y156-L159 PolarHBondContact O-N 3.43Å; Y156-D160 PolarHBondContact O-N 3.45Å; Y156-D160 VanDerWaalsContact O-N 3.09Å; Y156-L161 HydrophobicContact CD1-CB 4.09Å; Y156-L161 PolarHBondContact O-N 3.01Å; Y156-L207 HydrophobicContact CD2-CD2 4.48Å; Y156-L207 HydrophobicContact CE1-CD2 3.91Å; Y156-L207 HydrophobicContact CE2-CD2 3.8Å; Y156-L207 VanDerWaalsContact CZ-CD2 3.44Å; Y156-L207 WeakPolarHBondContact OH-CD2 3.4Å; Y156-R213 PolarHBondContact OH-NE 2.67Å; Y156-Y216 HydrophobicContact CD2-CD1 4.42Å; Y156-Y216 AromaticContact CD2-CE1 3.83Å; Y156-Y216 HydrophobicContact CD2-CE1 3.83Å; Y156-Y216 AromaticContact CE2-CD1 3.87Å; Y156-Y216 HydrophobicContact CE2-CD1 3.87Å; Y156-Y216 AromaticContact CE2-CE1 3.74Å; Y156-Y216 HydrophobicContact CE2-CE1 3.74Å; Y156-D217 WeakPolarHBondContact CE2-OD1 2.95Å; Y156-D217 PolarHBondContact OH-OD1 3.35Å
157E90.5Very high82.1Confident139 Ų13970 Ų7065%0.6539%0.394SS*.Hα-helixtrans-67.1-39.1178.2-65.2-179.9174.100111.4D154 L159 D160D154-E157 HydrophobicContact CB-CB 4.02Å; D154-E157 HydrophobicContact CB-CG 3.83Å; D154-E157 PolarHBondContact O-N 3.25Å; D154-E157 VanDerWaalsContact O-N 3.12Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.34Å; E157-D160 PolarHBondContact O-N 2.96Å
158L91Very high83.2Confident23 Ų2371.4 Ų71.412%0.1240%0.398CS..Hα-helixtrans-64.3-39179.9-176.465.5000112.5F153 D154 K177 M196 K199 V200 A203F153-L158 HydrophobicContact CD2-CB 4.09Å; F153-L158 HydrophobicContact CD2-CD2 3.63Å; F153-L158 HydrophobicContact CD2-CG 4.45Å; F153-L158 HydrophobicContact CE2-CD2 3.58Å; F153-L158 HydrophobicContact CG-CD2 4.38Å; F153-L158 HydrophobicContact CZ-CD2 4.29Å; D154-L158 PolarHBondContact O-N 3.48Å; L158-K177 WeakPolarHBondContact O-CD 3.46Å; L158-K177 WeakPolarHBondContact O-CE 3.34Å; L158-K177 PolarHBondContact O-NZ 2.95Å; L158-M196 HydrophobicContact CD1-CE 3.68Å; L158-K199 HydrophobicContact CD2-CB 3.63Å; L158-V200 HydrophobicContact CD2-CG2 4.04Å; L158-V200 HydrophobicContact CG-CG2 4.21Å; L158-A203 HydrophobicContact CD2-CB 4.32Å
159L91.3Very high84.5Confident4 Ų470.2 Ų70.22%0.02138%0.38CS..Hα-helixtrans-89.4-0.7179.8-67.7-178.6000113.9P155 Y156 E157 L161 V170 A173 K177 V200 A203 L207P155-L159 WeakPolarHBondContact O-CB 3.33Å; P155-L159 PolarHBondContact O-N 2.92Å; Y156-L159 PolarHBondContact O-N 3.43Å; E157-L159 VanDerWaalsContact C-N 3.34Å; E157-L159 PolarHBondContact O-N 3.34Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 HydrophobicContact CB-CD1 3.68Å; L159-L161 HydrophobicContact CB-CG 3.82Å; L159-L161 HydrophobicContact CD1-CD1 3.85Å; L159-L161 HydrophobicContact CG-CD1 4.45Å; L159-V170 HydrophobicContact CD1-CG1 4.43Å; L159-A173 HydrophobicContact CB-CB 4.15Å; L159-K177 HydrophobicContact CD2-CB 4.22Å; L159-K177 HydrophobicContact CD2-CG 4.08Å; L159-V200 HydrophobicContact CD2-CG1 4.09Å; L159-A203 HydrophobicContact CD1-CB 4.05Å; L159-A203 HydrophobicContact CG-CB 4.16Å; L159-L207 HydrophobicContact CD1-CD1 3.85Å
160D89.5Confident85.9Confident117 Ų11762.9 Ų62.963%0.62635%0.348SS*.THydrogen-bonded Turntrans5641.7-173.2-45.5-35.6000112.7Y156 E157 K177Y156-D160 PolarHBondContact O-N 3.45Å; Y156-D160 VanDerWaalsContact O-N 3.09Å; E157-D160 PolarHBondContact O-N 2.96Å; D160-K177 IonicContact OD1-NZ 3.62Å; D160-K177 PolarHBondContact OD1-NZ 3.02Å; D160-K177 WeakPolarHBondContact OD2-CE 3.24Å; D160-K177 IonicContact OD2-NZ 2.69Å; D160-K177 PolarHBondContact OD2-NZ 3.07Å
161L90.8Very high87.4Confident24 Ų2462.1 Ų62.113%0.12634%0.344CS..  trans-102144.9-178.7-68.4171.5000111.4Y156 L159 C165 D169 V170 A173 L207Y156-L161 HydrophobicContact CD1-CB 4.09Å; Y156-L161 PolarHBondContact O-N 3.01Å; L159-L161 VanDerWaalsContact C-N 3.31Å; L159-L161 HydrophobicContact CB-CD1 3.68Å; L159-L161 HydrophobicContact CB-CG 3.82Å; L159-L161 HydrophobicContact CD1-CD1 3.85Å; L159-L161 HydrophobicContact CG-CD1 4.45Å; L161-C165 HydrophobicContact CD2-CB 4.15Å; L161-D169 HydrophobicContact CD2-CB 4.32Å; L161-V170 HydrophobicContact CD1-CB 4.42Å; L161-V170 HydrophobicContact CD1-CG2 3.98Å; L161-A173 HydrophobicContact CD1-CB 4.24Å; L161-A173 HydrophobicContact CD2-CB 3.8Å; L161-A173 HydrophobicContact CG-CB 4.07Å; L161-L207 HydrophobicContact CD1-CD1 4.22Å
162T88.4Confident88.5Confident108 Ų10866 Ų6666%0.66336%0.359SS*.  trans-90.7161.5175.441.70000112.3G164 C165T162-G164 PolarHBondContact O-N 2.85Å; T162-G164 VanDerWaalsContact O-N 3.07Å; T162-C165 PolarHBondContact N-SG 3.47Å; T162-C165 PolarHBondContact O-N 2.9Å; T162-C165 PolarHBondContact O-SG 3.37Å
163D78.8Confident89.4Confident108 Ų10859.6 Ų59.658%0.57833%0.326SS*.THydrogen-bonded Turntrans-65.8110.1175.4-66.1-9.1000108.8R220 K224D163-R220 IonicContact OD1-CZ 2.67Å; D163-R220 IonicContact OD1-NH1 3.75Å; D163-R220 PolarHBondContact OD1-NH1 3.14Å; D163-R220 IonicContact OD1-NH2 3.98Å; D163-R220 IonicContact OD2-NH1 3.63Å; D163-K224 IonicContact OD2-NZ 2.94Å
164G81.9Confident89.9Confident69 Ų6960.9 Ų60.971%0.71133%0.33SS*.THydrogen-bonded Turntrans119.33.1-17900000116.3T162T162-G164 PolarHBondContact O-N 2.85Å; T162-G164 VanDerWaalsContact O-N 3.07Å
165C85.3Confident90.2Very high13 Ų1368 Ų689%0.08836%0.356CS..  trans-57.7143179.5-67.40000114L161 T162 D169 R213L161-C165 HydrophobicContact CD2-CB 4.15Å; T162-C165 PolarHBondContact N-SG 3.47Å; T162-C165 PolarHBondContact O-N 2.9Å; T162-C165 PolarHBondContact O-SG 3.37Å; C165-D169 HydrophobicContact CB-CB 4.07Å; C165-R213 VanDerWaalsContact O-CZ 3.28Å; C165-R213 PolarHBondContact O-NH1 2.8Å; C165-R213 PolarHBondContact O-NH2 3.47Å
166T90.8Very high90.4Very high74 Ų7475.8 Ų75.845%0.45439%0.389SS..  trans-75.2162.2174.5670000111.4Q168 D169 V170T166-Q168 PolarHBondContact O-N 3.45Å; T166-D169 WeakPolarHBondContact CB-OD2 3.46Å; T166-D169 PolarHBondContact N-OD2 2.69Å; T166-D169 WeakPolarHBondContact O-CB 3.45Å; T166-D169 PolarHBondContact O-N 3.11Å; T166-D169 PolarHBondContact OG1-N 3.13Å; T166-D169 PolarHBondContact OG1-OD2 3.07Å; T166-V170 PolarHBondContact O-N 3.39Å
167E90.1Very high90.6Very high119 Ų11976.8 Ų76.856%0.55639%0.394SS*.Hα-helixtrans-56.3-34.3174.6-67.5175.3-172.200112D169 V170 V171E167-D169 VanDerWaalsContact C-N 3.33Å; E167-D169 PolarHBondContact O-N 3.39Å; E167-V170 PolarHBondContact O-N 3.27Å; E167-V171 WeakPolarHBondContact O-CG2 3.34Å; E167-V171 PolarHBondContact O-N 2.7Å; E167-V171 VanDerWaalsContact O-N 3.14Å
168Q90.8Very high90.7Very high135 Ų13570.7 Ų70.763%0.63137%0.367SS*.Hα-helixtrans-65.6-36.2176.9-62.9-173.8-3.300112.4T166 V171 K172T166-Q168 PolarHBondContact O-N 3.45Å; Q168-V171 PolarHBondContact O-N 3.32Å; Q168-K172 VanDerWaalsContact O-CG 3.29Å; Q168-K172 WeakPolarHBondContact O-CG 3.41Å; Q168-K172 PolarHBondContact O-N 3.02Å
169D93.2Very high90.8Very high56 Ų5674.4 Ų74.430%0.29939%0.387SS..Hα-helixtrans-69.2-38.3178.3-58.4-40.6000111L161 C165 T166 E167 V171 K172 A173L161-D169 HydrophobicContact CD2-CB 4.32Å; C165-D169 HydrophobicContact CB-CB 4.07Å; T166-D169 WeakPolarHBondContact CB-OD2 3.46Å; T166-D169 PolarHBondContact N-OD2 2.69Å; T166-D169 WeakPolarHBondContact O-CB 3.45Å; T166-D169 PolarHBondContact O-N 3.11Å; T166-D169 PolarHBondContact OG1-N 3.13Å; T166-D169 PolarHBondContact OG1-OD2 3.07Å; E167-D169 VanDerWaalsContact C-N 3.33Å; E167-D169 PolarHBondContact O-N 3.39Å; D169-V171 PolarHBondContact O-N 2.96Å; D169-K172 PolarHBondContact O-N 2.86Å; D169-A173 WeakPolarHBondContact O-CB 3.29Å; D169-A173 PolarHBondContact O-N 3.49Å
170V92.9Very high90.8Very high1 Ų180.4 Ų80.41%0.00641%0.413CS..Hα-helixtrans-58.8-47.7173.5179.20000110.5L159 L161 T166 E167 K172 A173 Y174 L204 L207L159-V170 HydrophobicContact CD1-CG1 4.43Å; L161-V170 HydrophobicContact CD1-CB 4.42Å; L161-V170 HydrophobicContact CD1-CG2 3.98Å; T166-V170 PolarHBondContact O-N 3.39Å; E167-V170 PolarHBondContact O-N 3.27Å; V170-K172 PolarHBondContact O-N 3.02Å; V170-A173 PolarHBondContact O-N 3.24Å; V170-Y174 WeakPolarHBondContact O-CB 3.3Å; V170-Y174 PolarHBondContact O-N 2.93Å; V170-L204 HydrophobicContact CG1-CD1 3.95Å; V170-L207 HydrophobicContact CG1-CB 3.72Å; V170-L207 HydrophobicContact CG2-CB 4.22Å
171V92.5Very high90.9Very high60 Ų6076.9 Ų76.936%0.36439%0.391SS..Hα-helixtrans-64.3-40.5178.8175.60000111.7E167 Q168 D169 R175E167-V171 WeakPolarHBondContact O-CG2 3.34Å; E167-V171 PolarHBondContact O-N 2.7Å; E167-V171 VanDerWaalsContact O-N 3.14Å; Q168-V171 PolarHBondContact O-N 3.32Å; D169-V171 PolarHBondContact O-N 2.96Å; V171-R175 WeakPolarHBondContact O-CG 3.05Å; V171-R175 PolarHBondContact O-N 3.03Å
172K93.8Very high90.9Very high128 Ų12879.3 Ų79.356%0.55740%0.401SS*.Hα-helixtrans-64.3-46.4176.5-74170.9-173.6168.40111.7Q168 D169 V170 R175 K176Q168-K172 VanDerWaalsContact O-CG 3.29Å; Q168-K172 WeakPolarHBondContact O-CG 3.41Å; Q168-K172 PolarHBondContact O-N 3.02Å; D169-K172 PolarHBondContact O-N 2.86Å; V170-K172 PolarHBondContact O-N 3.02Å; K172-R175 PolarHBondContact O-N 2.82Å; K172-K176 PolarHBondContact O-N 3.03Å; K172-K176 VanDerWaalsContact O-N 3.1Å
173A94.5Very high90.8Very high15 Ų1576.3 Ų76.312%0.12438%0.383CS..Hα-helixtrans-63.9-42.7178.600000111.7L159 L161 D169 V170 R175 K176 K177L159-A173 HydrophobicContact CB-CB 4.15Å; L161-A173 HydrophobicContact CD1-CB 4.24Å; L161-A173 HydrophobicContact CD2-CB 3.8Å; L161-A173 HydrophobicContact CG-CB 4.07Å; D169-A173 WeakPolarHBondContact O-CB 3.29Å; D169-A173 PolarHBondContact O-N 3.49Å; V170-A173 PolarHBondContact O-N 3.24Å; A173-R175 PolarHBondContact O-N 3.37Å; A173-K176 PolarHBondContact O-N 3.48Å; A173-K177 WeakPolarHBondContact O-CG 3.49Å; A173-K177 PolarHBondContact O-N 2.88Å
174Y94.3Very high91.3Very high57 Ų5777.5 Ų77.522%0.22439%0.39CS..Hα-helixtrans-55.1-52.8172.5168-102.3000111.5V170 K176 K177 A178 V200 L204V170-Y174 WeakPolarHBondContact O-CB 3.3Å; V170-Y174 PolarHBondContact O-N 2.93Å; Y174-K176 VanDerWaalsContact C-N 3.28Å; Y174-K176 PolarHBondContact O-N 3.02Å; Y174-K177 PolarHBondContact O-N 3.49Å; Y174-A178 HydrophobicContact CE1-CB 4.45Å; Y174-A178 HydrophobicContact CE2-CB 4.19Å; Y174-A178 WeakPolarHBondContact O-CB 3.32Å; Y174-A178 PolarHBondContact O-N 3.32Å; Y174-V200 HydrophobicContact CD2-CG1 3.61Å; Y174-V200 HydrophobicContact CE2-CG1 3.96Å; Y174-L204 HydrophobicContact CD1-CD2 3.79Å; Y174-L204 HydrophobicContact CD2-CB 3.8Å; Y174-L204 HydrophobicContact CD2-CD2 3.74Å; Y174-L204 HydrophobicContact CD2-CG 4.23Å; Y174-L204 HydrophobicContact CE1-CD2 3.84Å; Y174-L204 HydrophobicContact CE2-CB 4.26Å; Y174-L204 HydrophobicContact CE2-CD2 3.79Å; Y174-L204 HydrophobicContact CG-CB 4.28Å; Y174-L204 HydrophobicContact CG-CD1 4.19Å; Y174-L204 HydrophobicContact CG-CD2 3.74Å; Y174-L204 HydrophobicContact CG-CG 4.29Å
175R93.5Very high91.6Very high175 Ų17580.6 Ų80.666%0.6638%0.384SS*.Hα-helixtrans-57.4-41.9179.7-72.9177.3-170.8-173.63.3112V171 K172 A173 L179V171-R175 WeakPolarHBondContact O-CG 3.05Å; V171-R175 PolarHBondContact O-N 3.03Å; K172-R175 PolarHBondContact O-N 2.82Å; A173-R175 PolarHBondContact O-N 3.37Å; R175-L179 WeakPolarHBondContact O-CB 3.45Å; R175-L179 PolarHBondContact O-N 3.35Å
176K94.7Very high91.6Very high162 Ų16281.8 Ų81.870%0.70439%0.389SS*.Hα-helixtrans-64-46.3178.5-171.7-178.7179.8-174.40111.9K172 A173 Y174 K180K172-K176 PolarHBondContact O-N 3.03Å; K172-K176 VanDerWaalsContact O-N 3.1Å; A173-K176 PolarHBondContact O-N 3.48Å; Y174-K176 VanDerWaalsContact C-N 3.28Å; Y174-K176 PolarHBondContact O-N 3.02Å; K176-K180 PolarHBondContact O-N 3.1Å; K176-K180 VanDerWaalsContact O-N 3.17Å
177K93.8Very high91.3Very high26 Ų2681 Ų8111%0.11339%0.39CS..Hα-helixtrans-74.2-38.5-178.9-68.9-87.9178.2152.70112.3L158 L159 D160 A173 Y174 L179 K180 W181 V200L158-K177 WeakPolarHBondContact O-CD 3.46Å; L158-K177 WeakPolarHBondContact O-CE 3.34Å; L158-K177 PolarHBondContact O-NZ 2.95Å; L159-K177 HydrophobicContact CD2-CB 4.22Å; L159-K177 HydrophobicContact CD2-CG 4.08Å; D160-K177 IonicContact OD1-NZ 3.62Å; D160-K177 PolarHBondContact OD1-NZ 3.02Å; D160-K177 WeakPolarHBondContact OD2-CE 3.24Å; D160-K177 IonicContact OD2-NZ 2.69Å; D160-K177 PolarHBondContact OD2-NZ 3.07Å; A173-K177 WeakPolarHBondContact O-CG 3.49Å; A173-K177 PolarHBondContact O-N 2.88Å; Y174-K177 PolarHBondContact O-N 3.49Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.23Å; K177-K180 WeakPolarHBondContact O-CB 3.36Å; K177-K180 PolarHBondContact O-N 3.09Å; K177-W181 PolarHBondContact O-N 3.38Å; K177-V200 HydrophobicContact CB-CG1 3.94Å; K177-V200 HydrophobicContact CB-CG2 3.93Å
178A92.9Very high91.1Very high10 Ų1082.3 Ų82.38%0.08340%0.401CS..Hα-helixtrans-61.8-40.3174.600000111.6Y174 H182 F197Y174-A178 HydrophobicContact CE1-CB 4.45Å; Y174-A178 HydrophobicContact CE2-CB 4.19Å; Y174-A178 WeakPolarHBondContact O-CB 3.32Å; Y174-A178 PolarHBondContact O-N 3.32Å; A178-H182 WeakPolarHBondContact O-CB 3.46Å; A178-H182 PolarHBondContact O-N 3.34Å; A178-F197 HydrophobicContact CB-CD2 4.42Å; A178-F197 HydrophobicContact CB-CE2 3.89Å
179L92.2Very high91Very high102 Ų10280.8 Ų80.853%0.53439%0.394SS..Hα-helixtrans-67.3-37.3174.5-170.469.8000112.1R175 K177R175-L179 WeakPolarHBondContact O-CB 3.45Å; R175-L179 PolarHBondContact O-N 3.35Å; K177-L179 VanDerWaalsContact C-N 3.33Å; K177-L179 PolarHBondContact O-N 3.23Å
180K91.8Very high90.7Very high130 Ų13083.7 Ų83.757%0.56540%0.404SS*.Hα-helixtrans-64.8-44.8176.8-176.1178.1-179.7178.70111.7K176 K177 N186K176-K180 PolarHBondContact O-N 3.1Å; K176-K180 VanDerWaalsContact O-N 3.17Å; K177-K180 WeakPolarHBondContact O-CB 3.36Å; K177-K180 PolarHBondContact O-N 3.09Å; K180-N186 PolarHBondContact O-ND2 3.41Å
181W92.5Very high90.5Very high43 Ų4390.7 Ų90.716%0.16344%0.44CS..THydrogen-bonded Turntrans-97.518.6-176.2-63.9119.4000113.9K177 L192 A193 M196 F197K177-W181 PolarHBondContact O-N 3.38Å; W181-L192 HydrophobicContact CE3-CD2 4.16Å; W181-L192 HydrophobicContact CH2-CD2 3.69Å; W181-L192 HydrophobicContact CZ3-CD2 3.31Å; W181-A193 HydrophobicContact CE3-CB 4.48Å; W181-M196 HydrophobicContact CB-CB 4.14Å; W181-M196 HydrophobicContact CD2-CB 3.55Å; W181-M196 HydrophobicContact CD2-CG 4.04Å; W181-M196 HydrophobicContact CE3-CB 3.99Å; W181-M196 HydrophobicContact CE3-CG 4.21Å; W181-M196 HydrophobicContact CG-CB 3.63Å; W181-M196 HydrophobicContact CH2-CG 4.27Å; W181-M196 HydrophobicContact CZ2-CB 4.44Å; W181-M196 HydrophobicContact CZ2-CE 3.92Å; W181-M196 HydrophobicContact CZ2-CG 4.1Å; W181-M196 HydrophobicContact CZ3-CG 4.33Å; W181-F197 HydrophobicContact CB-CB 4.39Å
182H90.2Very high90.3Very high75 Ų7591.5 Ų91.535%0.34744%0.442SS..  trans-65.2131.5179.7-165.1-96000110.4A178 D184 K185 N186A178-H182 WeakPolarHBondContact O-CB 3.46Å; A178-H182 PolarHBondContact O-N 3.34Å; H182-D184 WeakPolarHBondContact CE1-CB 3.42Å; H182-D184 WeakPolarHBondContact ND1-CB 3.24Å; H182-D184 PolarHBondContact ND1-N 2.67Å; H182-D184 PolarHBondContact O-N 2.91Å; H182-K185 HydrophobicContact CB-CG 4.44Å; H182-K185 PolarHBondContact O-N 2.77Å; H182-K185 VanDerWaalsContact O-N 3.07Å; H182-N186 PolarHBondContact O-N 3Å; H182-N186 PolarHBondContact O-ND2 3.17Å
183P86.3Confident90.2Very high44 Ų4485.4 Ų85.429%0.28642%0.416SS..THydrogen-bonded Turntrans-64.3-23.8-175.824.4-34.2000113.3Q194P183-Q194 HydrophobicContact CB-CG 4.27Å
184D88.5Confident89.9Confident133 Ų13389.8 Ų89.871%0.71143%0.434SS*.THydrogen-bonded Turntrans-72.2-33.6175.1-165.148.9000112.7H182H182-D184 WeakPolarHBondContact CE1-CB 3.42Å; H182-D184 WeakPolarHBondContact ND1-CB 3.24Å; H182-D184 PolarHBondContact ND1-N 2.67Å; H182-D184 PolarHBondContact O-N 2.91Å
185K88.2Confident89.7Confident135 Ų13591.9 Ų91.959%0.58745%0.445SS*.THydrogen-bonded Turntrans-84.5-21.5-178.3-68.5-163.8176-162.60113.6H182H182-K185 HydrophobicContact CB-CG 4.44Å; H182-K185 PolarHBondContact O-N 2.77Å; H182-K185 VanDerWaalsContact O-N 3.07Å
186N87.2Confident89.5Confident37 Ų3785.3 Ų85.320%0.19842%0.423CS..  trans-113.659.9-177.3-59.1-71.9000109.9K180 H182 D188 Q189 K190 A193K180-N186 PolarHBondContact O-ND2 3.41Å; H182-N186 PolarHBondContact O-N 3Å; H182-N186 PolarHBondContact O-ND2 3.17Å; N186-D188 PolarHBondContact O-N 2.9Å; N186-Q189 CarbonylContact O-C 3.38Å; N186-Q189 PolarHBondContact O-N 2.87Å; N186-Q189 VanDerWaalsContact O-N 3.15Å; N186-K190 PolarHBondContact O-N 2.8Å; N186-A193 HydrophobicContact CB-CB 3.7Å
187A82.6Confident89.3Confident58 Ų5880.6 Ų80.648%0.47940%0.402SS..G310 helixtrans-62.1-29.4-173.900000113.3K190A187-K190 WeakPolarHBondContact O-CE 3.33Å; A187-K190 WeakPolarHBondContact O-CG 3.37Å
188D86.9Confident89.1Confident147 Ų14783.9 Ų83.979%0.78642%0.42SS*.G310 helixtrans-80.7-24.3179.618.3-55.5000112.6N186N186-D188 PolarHBondContact O-N 2.9Å
189Q88.6Confident89Confident102 Ų10285.8 Ų85.848%0.47743%0.427SS..G310 helixtrans-125.645.1-179.1-62.1-173.92.100112.6N186 L191 L192 A193N186-Q189 CarbonylContact O-C 3.38Å; N186-Q189 PolarHBondContact O-N 2.87Å; N186-Q189 VanDerWaalsContact O-N 3.15Å; Q189-L191 VanDerWaalsContact C-N 3.33Å; Q189-L191 PolarHBondContact O-N 3.17Å; Q189-L192 HydrophobicContact CB-CB 4.49Å; Q189-L192 PolarHBondContact O-N 3.41Å; Q189-A193 VanDerWaalsContact O-CB 3.32Å; Q189-A193 WeakPolarHBondContact O-CB 3.39Å; Q189-A193 PolarHBondContact O-N 3.08Å
190K87.7Confident89Confident118 Ų11881 Ų8151%0.51340%0.402SS..Hα-helixtrans-53.1-45.6-175.3-73.8176.8-176.6-178.50113.8N186 A187 A193 Q194N186-K190 PolarHBondContact O-N 2.8Å; A187-K190 WeakPolarHBondContact O-CE 3.33Å; A187-K190 WeakPolarHBondContact O-CG 3.37Å; K190-A193 PolarHBondContact O-N 3.33Å; K190-Q194 WeakPolarHBondContact O-CB 3.5Å; K190-Q194 WeakPolarHBondContact O-CG 3.44Å; K190-Q194 PolarHBondContact O-N 3.49Å
191L87.8Confident89Confident147 Ų14776 Ų7677%0.7739%0.385SS*.Hα-helixtrans-61.1-51-179.1-81.6152.7000111.8Q189 Q194 E195Q189-L191 VanDerWaalsContact C-N 3.33Å; Q189-L191 PolarHBondContact O-N 3.17Å; L191-Q194 PolarHBondContact O-N 3.14Å; L191-E195 PolarHBondContact O-N 2.93Å
192L89.3Confident88.8Confident78 Ų7879 Ų7941%0.40840%0.396SS..Hα-helixtrans-67.3-39.8-179.5-173.3144.3000111.5W181 Q189 E195 M196W181-L192 HydrophobicContact CE3-CD2 4.16Å; W181-L192 HydrophobicContact CH2-CD2 3.69Å; W181-L192 HydrophobicContact CZ3-CD2 3.31Å; Q189-L192 HydrophobicContact CB-CB 4.49Å; Q189-L192 PolarHBondContact O-N 3.41Å; L192-E195 PolarHBondContact O-N 3.12Å; L192-M196 HydrophobicContact CD2-CG 4.08Å; L192-M196 HydrophobicContact CG-CG 4.5Å; L192-M196 WeakPolarHBondContact O-CB 3.44Å; L192-M196 VanDerWaalsContact O-CG 3.26Å; L192-M196 WeakPolarHBondContact O-CG 3.34Å; L192-M196 PolarHBondContact O-N 3.42Å
193A90.8Very high88.8Confident0 Ų075.4 Ų75.40%038%0.38CS..Hα-helixtrans-62.3-43.8175.300000111.8W181 N186 Q189 K190 M196 F197W181-A193 HydrophobicContact CE3-CB 4.48Å; N186-A193 HydrophobicContact CB-CB 3.7Å; Q189-A193 VanDerWaalsContact O-CB 3.32Å; Q189-A193 WeakPolarHBondContact O-CB 3.39Å; Q189-A193 PolarHBondContact O-N 3.08Å; K190-A193 PolarHBondContact O-N 3.33Å; A193-M196 PolarHBondContact O-N 3.47Å; A193-F197 WeakPolarHBondContact O-CB 3.34Å; A193-F197 PolarHBondContact O-N 2.94Å
194Q88.9Confident89.1Confident106 Ų10675.5 Ų75.550%0.49538%0.377SS..Hα-helixtrans-61.1-45.5175-76.2169.9-4.100112P183 K190 L191 F197 L198P183-Q194 HydrophobicContact CB-CG 4.27Å; K190-Q194 WeakPolarHBondContact O-CB 3.5Å; K190-Q194 WeakPolarHBondContact O-CG 3.44Å; K190-Q194 PolarHBondContact O-N 3.49Å; L191-Q194 PolarHBondContact O-N 3.14Å; Q194-F197 PolarHBondContact O-N 3.31Å; Q194-L198 WeakPolarHBondContact O-CB 3.47Å; Q194-L198 PolarHBondContact O-N 3.49Å
195E89.3Confident89.1Confident101 Ų10175.2 Ų75.247%0.47237%0.372SS..Hα-helixtrans-61.7-49.3178.4-168.6-166.9155.300111.2L191 L192 F197 L198 K199L191-E195 PolarHBondContact O-N 2.93Å; L192-E195 PolarHBondContact O-N 3.12Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 PolarHBondContact O-N 3.19Å; E195-L198 PolarHBondContact O-N 3.19Å; E195-K199 WeakPolarHBondContact O-CG 3.23Å; E195-K199 PolarHBondContact O-N 2.93Å; E195-K199 WeakPolarHBondContact OE1-CE 3.5Å; E195-K199 IonicContact OE1-NZ 3.86Å; E195-K199 PolarHBondContact OE1-NZ 3.29Å
196M89.8Confident89.1Confident38 Ų3870.4 Ų70.419%0.18735%0.352CS..Hα-helixtrans-64.6-39.1178.7-68.8-59.3-70.700112L158 W181 L192 A193 L198 K199 V200L158-M196 HydrophobicContact CD1-CE 3.68Å; W181-M196 HydrophobicContact CB-CB 4.14Å; W181-M196 HydrophobicContact CD2-CB 3.55Å; W181-M196 HydrophobicContact CD2-CG 4.04Å; W181-M196 HydrophobicContact CE3-CB 3.99Å; W181-M196 HydrophobicContact CE3-CG 4.21Å; W181-M196 HydrophobicContact CG-CB 3.63Å; W181-M196 HydrophobicContact CH2-CG 4.27Å; W181-M196 HydrophobicContact CZ2-CB 4.44Å; W181-M196 HydrophobicContact CZ2-CE 3.92Å; W181-M196 HydrophobicContact CZ2-CG 4.1Å; W181-M196 HydrophobicContact CZ3-CG 4.33Å; L192-M196 HydrophobicContact CD2-CG 4.08Å; L192-M196 HydrophobicContact CG-CG 4.5Å; L192-M196 WeakPolarHBondContact O-CB 3.44Å; L192-M196 VanDerWaalsContact O-CG 3.26Å; L192-M196 WeakPolarHBondContact O-CG 3.34Å; L192-M196 PolarHBondContact O-N 3.42Å; A193-M196 PolarHBondContact O-N 3.47Å; M196-L198 VanDerWaalsContact C-N 3.34Å; M196-K199 PolarHBondContact O-N 3.09Å; M196-K199 HydrophobicContact SD-CD 4.25Å; M196-V200 WeakPolarHBondContact O-CB 3.38Å; M196-V200 VanDerWaalsContact O-CG2 3.25Å; M196-V200 WeakPolarHBondContact O-CG2 3.28Å; M196-V200 PolarHBondContact O-N 3.34Å
197F91.2Very high89.3Confident63 Ų6368.7 Ų68.728%0.27634%0.343SS..Hα-helixtrans-61.7-42.8175.1-173.3-91.9000111.5A178 W181 A193 Q194 E195 V200 A201A178-F197 HydrophobicContact CB-CD2 4.42Å; A178-F197 HydrophobicContact CB-CE2 3.89Å; W181-F197 HydrophobicContact CB-CB 4.39Å; A193-F197 WeakPolarHBondContact O-CB 3.34Å; A193-F197 PolarHBondContact O-N 2.94Å; Q194-F197 PolarHBondContact O-N 3.31Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 PolarHBondContact O-N 3.19Å; F197-V200 PolarHBondContact O-N 3.22Å; F197-A201 WeakPolarHBondContact O-CB 3.44Å; F197-A201 PolarHBondContact O-N 3.44Å
198L88.8Confident89.6Confident94 Ų9467.9 Ų67.949%0.49234%0.34SS..Hα-helixtrans-63.3-42176-172.767000111.6Q194 E195 M196 A201 R202Q194-L198 WeakPolarHBondContact O-CB 3.47Å; Q194-L198 PolarHBondContact O-N 3.49Å; E195-L198 PolarHBondContact O-N 3.19Å; M196-L198 VanDerWaalsContact C-N 3.34Å; L198-A201 PolarHBondContact O-N 2.89Å; L198-R202 WeakPolarHBondContact O-CG 3.44Å; L198-R202 PolarHBondContact O-N 3.3Å
199K90.5Very high89.7Confident51 Ų5165 Ų6522%0.22233%0.325CS..Hα-helixtrans-62-42.9174.7-68178.6-177169.60111.6F153 L158 E195 M196 R202 A203F153-K199 HydrophobicContact CD1-CB 4.16Å; F153-K199 HydrophobicContact CD1-CD 3.92Å; F153-K199 HydrophobicContact CD1-CG 3.87Å; F153-K199 HydrophobicContact CE1-CB 3.72Å; F153-K199 HydrophobicContact CE1-CD 4.19Å; F153-K199 HydrophobicContact CE1-CG 3.59Å; F153-K199 HydrophobicContact CE2-CB 4.35Å; F153-K199 HydrophobicContact CZ-CB 3.82Å; F153-K199 HydrophobicContact CZ-CG 4.22Å; F153-K199 VanDerWaalsContact CZ-O 3.29Å; F153-K199 WeakPolarHBondContact CZ-O 3.29Å; L158-K199 HydrophobicContact CD2-CB 3.63Å; E195-K199 WeakPolarHBondContact O-CG 3.23Å; E195-K199 PolarHBondContact O-N 2.93Å; E195-K199 WeakPolarHBondContact OE1-CE 3.5Å; E195-K199 IonicContact OE1-NZ 3.86Å; E195-K199 PolarHBondContact OE1-NZ 3.29Å; M196-K199 PolarHBondContact O-N 3.09Å; M196-K199 HydrophobicContact SD-CD 4.25Å; K199-R202 PolarHBondContact O-N 3.48Å; K199-A203 WeakPolarHBondContact O-CB 3.43Å; K199-A203 PolarHBondContact O-N 3Å
200V92.7Very high89.8Confident0 Ų066.4 Ų66.40%033%0.33CS..Hα-helixtrans-63.9-40176.8168.50000111.5L158 L159 Y174 K177 M196 F197 A203 L204L158-V200 HydrophobicContact CD2-CG2 4.04Å; L158-V200 HydrophobicContact CG-CG2 4.21Å; L159-V200 HydrophobicContact CD2-CG1 4.09Å; Y174-V200 HydrophobicContact CD2-CG1 3.61Å; Y174-V200 HydrophobicContact CE2-CG1 3.96Å; K177-V200 HydrophobicContact CB-CG1 3.94Å; K177-V200 HydrophobicContact CB-CG2 3.93Å; M196-V200 WeakPolarHBondContact O-CB 3.38Å; M196-V200 VanDerWaalsContact O-CG2 3.25Å; M196-V200 WeakPolarHBondContact O-CG2 3.28Å; M196-V200 PolarHBondContact O-N 3.34Å; F197-V200 PolarHBondContact O-N 3.22Å; V200-A203 WeakPolarHBondContact O-CB 3.37Å; V200-A203 PolarHBondContact O-N 3.19Å; V200-L204 PolarHBondContact O-N 3.47Å; V200-L204 VanDerWaalsContact O-N 3.12Å
201A91.4Very high89.9Confident26 Ų2663.7 Ų63.722%0.21533%0.329CS..Hα-helixtrans-64.7-45.3174.500000112F197 L198 A203 L204 E205F197-A201 WeakPolarHBondContact O-CB 3.44Å; F197-A201 PolarHBondContact O-N 3.44Å; L198-A201 PolarHBondContact O-N 2.89Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.92Å; A201-L204 WeakPolarHBondContact O-CB 3.38Å; A201-L204 PolarHBondContact O-N 2.87Å; A201-L204 VanDerWaalsContact O-N 3.16Å; A201-E205 PolarHBondContact O-N 3.15Å
202R89Confident89.9Confident105 Ų10558.1 Ų58.140%0.39630%0.304SS..Hα-helixtrans-59.8-41.2173.8-74.3-178.8-172.8-178.42.5112.1F153 L198 K199 L204 E205 I206F153-R202 HydrophobicContact CZ-CB 4.1Å; L198-R202 WeakPolarHBondContact O-CG 3.44Å; L198-R202 PolarHBondContact O-N 3.3Å; K199-R202 PolarHBondContact O-N 3.48Å; R202-L204 VanDerWaalsContact C-N 3.28Å; R202-L204 PolarHBondContact O-N 3.22Å; R202-E205 PolarHBondContact O-N 3.45Å; R202-I206 WeakPolarHBondContact O-CD1 3.33Å; R202-I206 PolarHBondContact O-N 3.04Å; R202-I206 VanDerWaalsContact O-N 3.13Å
203A90.4Very high89.9Confident0 Ų056.1 Ų56.10%029%0.291CS..Hα-helixtrans-58.8-41.2175.500000111.8F153 P155 L158 L159 K199 V200 A201 I206 L207F153-A203 HydrophobicContact CE2-CB 4.14Å; P155-A203 HydrophobicContact CB-CB 3.88Å; L158-A203 HydrophobicContact CD2-CB 4.32Å; L159-A203 HydrophobicContact CD1-CB 4.05Å; L159-A203 HydrophobicContact CG-CB 4.16Å; K199-A203 WeakPolarHBondContact O-CB 3.43Å; K199-A203 PolarHBondContact O-N 3Å; V200-A203 WeakPolarHBondContact O-CB 3.37Å; V200-A203 PolarHBondContact O-N 3.19Å; A201-A203 VanDerWaalsContact C-N 3.32Å; A201-A203 PolarHBondContact O-N 2.92Å; A203-I206 PolarHBondContact O-N 3.38Å; A203-L207 WeakPolarHBondContact O-CB 3.34Å; A203-L207 WeakPolarHBondContact O-CG 3.38Å; A203-L207 PolarHBondContact O-N 3.15Å
204L91.5Very high89.9Confident46 Ų4660.4 Ų60.424%0.24131%0.311CS..Hα-helixtrans-66.3-41.8174.9179.970000112.1V170 Y174 V200 A201 R202 I206 L207 G208V170-L204 HydrophobicContact CG1-CD1 3.95Å; Y174-L204 HydrophobicContact CD1-CD2 3.79Å; Y174-L204 HydrophobicContact CD2-CB 3.8Å; Y174-L204 HydrophobicContact CD2-CD2 3.74Å; Y174-L204 HydrophobicContact CD2-CG 4.23Å; Y174-L204 HydrophobicContact CE1-CD2 3.84Å; Y174-L204 HydrophobicContact CE2-CB 4.26Å; Y174-L204 HydrophobicContact CE2-CD2 3.79Å; Y174-L204 HydrophobicContact CG-CB 4.28Å; Y174-L204 HydrophobicContact CG-CD1 4.19Å; Y174-L204 HydrophobicContact CG-CD2 3.74Å; Y174-L204 HydrophobicContact CG-CG 4.29Å; V200-L204 PolarHBondContact O-N 3.47Å; V200-L204 VanDerWaalsContact O-N 3.12Å; A201-L204 WeakPolarHBondContact O-CB 3.38Å; A201-L204 PolarHBondContact O-N 2.87Å; A201-L204 VanDerWaalsContact O-N 3.16Å; R202-L204 VanDerWaalsContact C-N 3.28Å; R202-L204 PolarHBondContact O-N 3.22Å; L204-I206 PolarHBondContact O-N 2.84Å; L204-L207 PolarHBondContact O-N 3.27Å; L204-G208 VanDerWaalsContact O-CA 3.3Å; L204-G208 WeakPolarHBondContact O-CA 3.21Å; L204-G208 PolarHBondContact O-N 3Å
205E89.3Confident89.9Confident128 Ų12857.4 Ų57.460%0.59830%0.304SS*.Hα-helixtrans-57-39.2176.7-72.8-177.716500111.6A201 R202A201-E205 PolarHBondContact O-N 3.15Å; R202-E205 PolarHBondContact O-N 3.45Å
206I88.5Confident89.9Confident33 Ų3354.2 Ų54.217%0.16929%0.289CS..Hα-helixtrans-78.9-45.5-179.3-66154.1000112.3L151 P155 R202 A203 L204 A212 R213 Y216L151-I206 HydrophobicContact CD1-CD1 3.34Å; L151-I206 HydrophobicContact CD2-CD1 3.47Å; L151-I206 VanDerWaalsContact CD2-CD1 3.47Å; L151-I206 HydrophobicContact CG-CD1 3.92Å; P155-I206 HydrophobicContact CG-CD1 4.36Å; R202-I206 WeakPolarHBondContact O-CD1 3.33Å; R202-I206 PolarHBondContact O-N 3.04Å; R202-I206 VanDerWaalsContact O-N 3.13Å; A203-I206 PolarHBondContact O-N 3.38Å; L204-I206 PolarHBondContact O-N 2.84Å; I206-A212 CarbonylContact O-C 3.58Å; I206-A212 WeakPolarHBondContact O-CB 3.43Å; I206-R213 WeakPolarHBondContact O-CA 3.48Å; I206-R213 PolarHBondContact O-N 2.91Å; I206-R213 VanDerWaalsContact O-N 3.1Å; I206-Y216 HydrophobicContact CG2-CD2 4.4Å; I206-Y216 HydrophobicContact CG2-CG 4.03Å
207L90.4Very high89.9Confident1 Ų154.5 Ų54.51%0.00529%0.291CS..Hα-helixtrans-84.4-18.2-174.5-66176.3000113.4P155 Y156 L159 L161 V170 A203 L204 R213P155-L207 HydrophobicContact CB-CD1 3.74Å; P155-L207 HydrophobicContact CB-CD2 4.47Å; P155-L207 HydrophobicContact CB-CG 4Å; Y156-L207 HydrophobicContact CD2-CD2 4.48Å; Y156-L207 HydrophobicContact CE1-CD2 3.91Å; Y156-L207 HydrophobicContact CE2-CD2 3.8Å; Y156-L207 VanDerWaalsContact CZ-CD2 3.44Å; Y156-L207 WeakPolarHBondContact OH-CD2 3.4Å; L159-L207 HydrophobicContact CD1-CD1 3.85Å; L161-L207 HydrophobicContact CD1-CD1 4.22Å; V170-L207 HydrophobicContact CG1-CB 3.72Å; V170-L207 HydrophobicContact CG2-CB 4.22Å; A203-L207 WeakPolarHBondContact O-CB 3.34Å; A203-L207 WeakPolarHBondContact O-CG 3.38Å; A203-L207 PolarHBondContact O-N 3.15Å; L204-L207 PolarHBondContact O-N 3.27Å; L207-R213 HydrophobicContact CD2-CG 4.15Å
208G88.5Confident89.9Confident41 Ų4158.6 Ų58.642%0.42330%0.304SS..Hα-helixtrans-82.2-33.1-179.800000113.5L204L204-G208 VanDerWaalsContact O-CA 3.3Å; L204-G208 WeakPolarHBondContact O-CA 3.21Å; L204-G208 PolarHBondContact O-N 3Å
209D89.9Confident89.8Confident86 Ų8658.5 Ų58.546%0.4630%0.304SS..SBendtrans-86.8124.9170.5173.736.7000110.6A211 A212 R213D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 2.94Å; D209-A211 PolarHBondContact OD1-N 3.46Å; D209-A212 HydrophobicContact CB-CB 3.93Å; D209-A212 PolarHBondContact O-N 2.8Å; D209-A212 WeakPolarHBondContact OD2-CB 3.47Å; D209-A212 PolarHBondContact OD2-N 2.99Å; D209-R213 VanDerWaalsContact O-CB 3.3Å; D209-R213 WeakPolarHBondContact O-CB 3.29Å; D209-R213 PolarHBondContact O-N 3.19Å
210K90.1Very high89.7Confident133 Ų13357.9 Ų57.958%0.57830%0.3SS*.Hα-helixtrans-59.1-41.1-178.9-174-178.8176.9-173.70111.8R213 E214K210-R213 PolarHBondContact O-N 3.44Å; K210-E214 VanDerWaalsContact CE-OE1 3.29Å; K210-E214 WeakPolarHBondContact CE-OE1 3.45Å; K210-E214 WeakPolarHBondContact O-CG 3.21Å; K210-E214 PolarHBondContact O-N 2.89Å
211A90.3Very high89.6Confident60 Ų6065.3 Ų65.350%0.49633%0.332SS..Hα-helixtrans-69.5-44.9-178.700000111.7D209 E214 A215D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 2.94Å; D209-A211 PolarHBondContact OD1-N 3.46Å; A211-E214 PolarHBondContact O-N 3.41Å; A211-A215 PolarHBondContact O-N 3.38Å; A211-A215 VanDerWaalsContact O-N 3.07Å
212A87.5Confident89.6Confident31 Ų3166.8 Ų66.826%0.25635%0.345SS..Hα-helixtrans-60.6-43.1173.900000112.3I206 D209 A215 Y216I206-A212 CarbonylContact O-C 3.58Å; I206-A212 WeakPolarHBondContact O-CB 3.43Å; D209-A212 HydrophobicContact CB-CB 3.93Å; D209-A212 PolarHBondContact O-N 2.8Å; D209-A212 WeakPolarHBondContact OD2-CB 3.47Å; D209-A212 PolarHBondContact OD2-N 2.99Å; A212-A215 PolarHBondContact O-N 3.08Å; A212-Y216 PolarHBondContact O-N 3.03Å
213R90.1Very high89.6Confident36 Ų3668.7 Ų68.714%0.13636%0.356CS..Hα-helixtrans-61.2-48.2177.6-178.4174.3173.5171.9-0.2112.1Y156 C165 I206 L207 D209 K210 A215 Y216 D217Y156-R213 PolarHBondContact OH-NE 2.67Å; C165-R213 VanDerWaalsContact O-CZ 3.28Å; C165-R213 PolarHBondContact O-NH1 2.8Å; C165-R213 PolarHBondContact O-NH2 3.47Å; I206-R213 WeakPolarHBondContact O-CA 3.48Å; I206-R213 PolarHBondContact O-N 2.91Å; I206-R213 VanDerWaalsContact O-N 3.1Å; L207-R213 HydrophobicContact CD2-CG 4.15Å; D209-R213 VanDerWaalsContact O-CB 3.3Å; D209-R213 WeakPolarHBondContact O-CB 3.29Å; D209-R213 PolarHBondContact O-N 3.19Å; K210-R213 PolarHBondContact O-N 3.44Å; R213-A215 VanDerWaalsContact C-N 3.3Å; R213-A215 PolarHBondContact O-N 3.29Å; R213-Y216 PolarHBondContact O-N 2.89Å; R213-D217 WeakPolarHBondContact O-CB 3.43Å; R213-D217 PolarHBondContact O-N 3.13Å
214E90.5Very high89.5Confident89 Ų8973.2 Ų73.242%0.41638%0.375SS..Hα-helixtrans-61.2-38.7176.7-74176.5-168.800112.2K210 A211 D217 R218K210-E214 VanDerWaalsContact CE-OE1 3.29Å; K210-E214 WeakPolarHBondContact CE-OE1 3.45Å; K210-E214 WeakPolarHBondContact O-CG 3.21Å; K210-E214 PolarHBondContact O-N 2.89Å; A211-E214 PolarHBondContact O-N 3.41Å; E214-D217 PolarHBondContact O-N 3.39Å; E214-R218 WeakPolarHBondContact O-CG 3.34Å; E214-R218 PolarHBondContact O-N 2.89Å
215A88.6Confident89.5Confident43 Ų4372.6 Ų72.636%0.35538%0.377SS..Hα-helixtrans-64.6-43.3175.800000112.1A211 A212 R213 R218 L219A211-A215 PolarHBondContact O-N 3.38Å; A211-A215 VanDerWaalsContact O-N 3.07Å; A212-A215 PolarHBondContact O-N 3.08Å; R213-A215 VanDerWaalsContact C-N 3.3Å; R213-A215 PolarHBondContact O-N 3.29Å; A215-R218 PolarHBondContact O-N 3.41Å; A215-L219 PolarHBondContact O-N 2.79Å; A215-L219 VanDerWaalsContact O-N 3.13Å
216Y88.6Confident89.5Confident35 Ų3569.1 Ų69.114%0.13737%0.371CS..Hα-helixtrans-64-44.1175.4-178-99.9000111.9L151 D154 P155 Y156 I206 A212 R213 R218 L219 R220L151-Y216 HydrophobicContact CD1-CD2 3.84Å; L151-Y216 HydrophobicContact CD1-CE2 3.6Å; D154-Y216 PolarHBondContact OD1-OH 3.2Å; P155-Y216 WeakPolarHBondContact CD-OH 3.44Å; P155-Y216 HydrophobicContact CG-CE1 4.25Å; P155-Y216 HydrophobicContact CG-CE2 4.32Å; Y156-Y216 HydrophobicContact CD2-CD1 4.42Å; Y156-Y216 AromaticContact CD2-CE1 3.83Å; Y156-Y216 HydrophobicContact CD2-CE1 3.83Å; Y156-Y216 AromaticContact CE2-CD1 3.87Å; Y156-Y216 HydrophobicContact CE2-CD1 3.87Å; Y156-Y216 AromaticContact CE2-CE1 3.74Å; Y156-Y216 HydrophobicContact CE2-CE1 3.74Å; I206-Y216 HydrophobicContact CG2-CD2 4.4Å; I206-Y216 HydrophobicContact CG2-CG 4.03Å; A212-Y216 PolarHBondContact O-N 3.03Å; R213-Y216 PolarHBondContact O-N 2.89Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.43Å; Y216-L219 WeakPolarHBondContact O-CB 3.36Å; Y216-L219 PolarHBondContact O-N 2.99Å; Y216-L219 VanDerWaalsContact O-N 3.11Å; Y216-R220 HydrophobicContact CE1-CB 4.48Å; Y216-R220 WeakPolarHBondContact O-CB 3.3Å; Y216-R220 PolarHBondContact O-N 3.16Å
217D90.1Very high89.5Confident44 Ų4472.3 Ų72.324%0.23539%0.385CS..Hα-helixtrans-61.9-39177.8-77.6-20.6000112.3Y156 R213 E214 R220 K221Y156-D217 WeakPolarHBondContact CE2-OD1 2.95Å; Y156-D217 PolarHBondContact OH-OD1 3.35Å; R213-D217 WeakPolarHBondContact O-CB 3.43Å; R213-D217 PolarHBondContact O-N 3.13Å; E214-D217 PolarHBondContact O-N 3.39Å; D217-R220 PolarHBondContact O-N 3.12Å; D217-K221 WeakPolarHBondContact O-CB 3.36Å; D217-K221 WeakPolarHBondContact O-CG 3.38Å; D217-K221 PolarHBondContact O-N 2.94Å
218R90.8Very high89.4Confident149 Ų14978.4 Ų78.456%0.56241%0.413SS*.Hα-helixtrans-60.4-46.7171.9-75.3-172.4-62.6-96.54.6111.5E214 A215 Y216 A222E214-R218 WeakPolarHBondContact O-CG 3.34Å; E214-R218 PolarHBondContact O-N 2.89Å; A215-R218 PolarHBondContact O-N 3.41Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; Y216-R218 PolarHBondContact O-N 3.43Å; R218-A222 WeakPolarHBondContact O-CB 3.31Å; R218-A222 PolarHBondContact O-N 3.47Å
219L87.7Confident89.4Confident91 Ų9185 Ų8548%0.47643%0.425SS..Hα-helixtrans-63.3-43178.8178.762.3000111.9A215 Y216 A222 K223A215-L219 PolarHBondContact O-N 2.79Å; A215-L219 VanDerWaalsContact O-N 3.13Å; Y216-L219 WeakPolarHBondContact O-CB 3.36Å; Y216-L219 PolarHBondContact O-N 2.99Å; Y216-L219 VanDerWaalsContact O-N 3.11Å; L219-A222 PolarHBondContact O-N 2.89Å; L219-K223 PolarHBondContact O-N 2.79Å
220R88.2Confident89Confident38 Ų3887.2 Ų87.214%0.14343%0.428CS..Hα-helixtrans-65.7-43.6179.3-170.4170.2176.6-117.13.1111.9D154 D163 Y216 D217 K223 K224D154-R220 IonicContact OD1-NE 3.92Å; D154-R220 IonicContact OD2-CZ 3.32Å; D154-R220 VanDerWaalsContact OD2-CZ 3.25Å; D154-R220 IonicContact OD2-NE 3.64Å; D154-R220 PolarHBondContact OD2-NE 2.72Å; D154-R220 IonicContact OD2-NH2 3.25Å; D154-R220 PolarHBondContact OD2-NH2 3.42Å; D163-R220 IonicContact OD1-CZ 2.67Å; D163-R220 IonicContact OD1-NH1 3.75Å; D163-R220 PolarHBondContact OD1-NH1 3.14Å; D163-R220 IonicContact OD1-NH2 3.98Å; D163-R220 IonicContact OD2-NH1 3.63Å; Y216-R220 HydrophobicContact CE1-CB 4.48Å; Y216-R220 WeakPolarHBondContact O-CB 3.3Å; Y216-R220 PolarHBondContact O-N 3.16Å; D217-R220 PolarHBondContact O-N 3.12Å; R220-K223 PolarHBondContact O-N 3.39Å; R220-K224 PolarHBondContact O-N 3.5Å
221K90.2Very high88.9Confident156 Ų15688.5 Ų88.568%0.67843%0.429SS*.Hα-helixtrans-61.8-42.8172.7-74.5177.7-177.8178.50111.9D217 K224 A225D217-K221 WeakPolarHBondContact O-CB 3.36Å; D217-K221 WeakPolarHBondContact O-CG 3.38Å; D217-K221 PolarHBondContact O-N 2.94Å; K221-K224 PolarHBondContact O-N 3.1Å; K221-A225 WeakPolarHBondContact O-CB 3.29Å; K221-A225 PolarHBondContact O-N 3.34Å
222A90.6Very high88.7Confident58 Ų5890.8 Ų90.848%0.47943%0.429SS..Hα-helixtrans-63.1-42.3176.800000112.2R218 L219 A225 A226R218-A222 WeakPolarHBondContact O-CB 3.31Å; R218-A222 PolarHBondContact O-N 3.47Å; L219-A222 PolarHBondContact O-N 2.89Å; A222-A225 PolarHBondContact O-N 3.04Å; A222-A226 WeakPolarHBondContact O-CB 3.46Å; A222-A226 PolarHBondContact O-N 2.96Å
223K89Confident88.3Confident144 Ų14493.4 Ų93.463%0.62644%0.439SS*.Hα-helixtrans-59.8-51.1173.8-87.9-174.9173.5-176.90112.1L219 R220 A225 A226 E227L219-K223 PolarHBondContact O-N 2.79Å; R220-K223 PolarHBondContact O-N 3.39Å; K223-A225 PolarHBondContact O-N 3.27Å; K223-A226 PolarHBondContact O-N 3.41Å; K223-E227 PolarHBondContact O-N 3.28Å
224K89.1Confident88.1Confident95 Ų9594.6 Ų94.641%0.41345%0.448SS..Hα-helixtrans-58.2-46.8177.7-72.6-177.3179.5-179.50111.6D163 R220 K221 A226 E227 E228D163-K224 IonicContact OD2-NZ 2.94Å; R220-K224 PolarHBondContact O-N 3.5Å; K221-K224 PolarHBondContact O-N 3.1Å; K224-A226 VanDerWaalsContact C-N 3.33Å; K224-A226 PolarHBondContact O-N 3.35Å; K224-E227 PolarHBondContact O-N 3.4Å; K224-E228 WeakPolarHBondContact O-CG 3.48Å; K224-E228 PolarHBondContact O-N 3.01Å
225A91.9Very high87.9Confident34 Ų3492.3 Ų92.328%0.28144%0.444SS..Hα-helixtrans-64.3-34.617800000113.1K221 A222 K223 R229K221-A225 WeakPolarHBondContact O-CB 3.29Å; K221-A225 PolarHBondContact O-N 3.34Å; A222-A225 PolarHBondContact O-N 3.04Å; K223-A225 PolarHBondContact O-N 3.27Å; A225-R229 VanDerWaalsContact O-CG 3.26Å; A225-R229 WeakPolarHBondContact O-CG 3.34Å; A225-R229 PolarHBondContact O-N 3.3Å
226A89.2Confident87.9Confident55 Ų5596 Ų9646%0.45545%0.452SS..Hα-helixtrans-69.3-41.3175.200000111.8A222 K223 K224 R229 Y230A222-A226 WeakPolarHBondContact O-CB 3.46Å; A222-A226 PolarHBondContact O-N 2.96Å; K223-A226 PolarHBondContact O-N 3.41Å; K224-A226 VanDerWaalsContact C-N 3.33Å; K224-A226 PolarHBondContact O-N 3.35Å; A226-R229 WeakPolarHBondContact O-CB 3.48Å; A226-R229 PolarHBondContact O-N 3.29Å; A226-Y230 PolarHBondContact O-N 3.31Å
227E88.6Confident87.8Confident99 Ų99101.8 Ų101.846%0.46347%0.474SS..Hα-helixtrans-63.4-43.6176.7-170.6-178.1175.600111.7K223 K224 R229 Y230 R231K223-E227 PolarHBondContact O-N 3.28Å; K224-E227 PolarHBondContact O-N 3.4Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 3.47Å; E227-Y230 PolarHBondContact O-N 2.95Å; E227-R231 WeakPolarHBondContact O-CG 3.23Å; E227-R231 PolarHBondContact O-N 2.83Å; E227-R231 IonicContact OE1-CZ 3.62Å; E227-R231 VanDerWaalsContact OE1-CZ 3.32Å; E227-R231 IonicContact OE1-NE 3.72Å; E227-R231 PolarHBondContact OE1-NE 3.47Å; E227-R231 IonicContact OE1-NH2 3.73Å; E227-R231 PolarHBondContact OE1-NH2 2.86Å
228E88.8Confident87.6Confident130 Ų130107.2 Ų107.261%0.60749%0.491SS*.Hα-helixtrans-59.7-42.8174.5-73.4172.2-178.600112.2K224 Y230 R231 H232K224-E228 WeakPolarHBondContact O-CG 3.48Å; K224-E228 PolarHBondContact O-N 3.01Å; E228-Y230 VanDerWaalsContact C-N 3.34Å; E228-Y230 PolarHBondContact O-N 3.39Å; E228-R231 PolarHBondContact O-N 3.45Å; E228-H232 WeakPolarHBondContact O-CB 3.24Å; E228-H232 PolarHBondContact O-N 3.46Å
229R87.3Confident87.7Confident178 Ų178106.9 Ų106.967%0.67249%0.493SS*.Hα-helixtrans-60.5-44.8174.3-72174.3-155.2-148.95.1111.3A225 A226 E227 H232 L233A225-R229 VanDerWaalsContact O-CG 3.26Å; A225-R229 WeakPolarHBondContact O-CG 3.34Å; A225-R229 PolarHBondContact O-N 3.3Å; A226-R229 WeakPolarHBondContact O-CB 3.48Å; A226-R229 PolarHBondContact O-N 3.29Å; E227-R229 VanDerWaalsContact C-N 3.33Å; E227-R229 PolarHBondContact O-N 3.47Å; R229-H232 PolarHBondContact O-N 3.44Å; R229-L233 WeakPolarHBondContact O-CB 3.43Å; R229-L233 VanDerWaalsContact O-CG 3.29Å; R229-L233 WeakPolarHBondContact O-CG 3.36Å; R229-L233 PolarHBondContact O-N 3.43Å
230Y82.2Confident87.9Confident134 Ų134107.4 Ų107.453%0.52550%0.496SS..Hα-helixtrans-64.3-45.6179-170.1-97.3000111.5A226 E227 E228 H232 L233 D234A226-Y230 PolarHBondContact O-N 3.31Å; E227-Y230 PolarHBondContact O-N 2.95Å; E228-Y230 VanDerWaalsContact C-N 3.34Å; E228-Y230 PolarHBondContact O-N 3.39Å; Y230-H232 VanDerWaalsContact C-N 3.3Å; Y230-H232 PolarHBondContact O-N 2.9Å; Y230-L233 WeakPolarHBondContact O-CB 3.33Å; Y230-L233 PolarHBondContact O-N 3.37Å; Y230-L233 VanDerWaalsContact O-N 3.14Å; Y230-D234 WeakPolarHBondContact CD1-OD2 3.38Å; Y230-D234 WeakPolarHBondContact CE1-OD2 3.29Å; Y230-D234 WeakPolarHBondContact O-CB 3.22Å; Y230-D234 PolarHBondContact O-N 2.96Å
231R88Confident87.9Confident160 Ų160111.6 Ų111.660%0.60452%0.516SS*.Hα-helixtrans-57.4-41.5174.5-72176.4-177.2-163.82112.3E227 E228 D234 A235E227-R231 WeakPolarHBondContact O-CG 3.23Å; E227-R231 PolarHBondContact O-N 2.83Å; E227-R231 IonicContact OE1-CZ 3.62Å; E227-R231 VanDerWaalsContact OE1-CZ 3.32Å; E227-R231 IonicContact OE1-NE 3.72Å; E227-R231 PolarHBondContact OE1-NE 3.47Å; E227-R231 IonicContact OE1-NH2 3.73Å; E227-R231 PolarHBondContact OE1-NH2 2.86Å; E228-R231 PolarHBondContact O-N 3.45Å; R231-D234 PolarHBondContact O-N 3.35Å; R231-A235 WeakPolarHBondContact O-CB 3.47Å; R231-A235 PolarHBondContact O-N 3.04Å
232H86.5Confident88Confident107 Ų107109.1 Ų109.150%0.49551%0.506SS..Hα-helixtrans-70.3-38177.4-175.5-111.4000112.4E228 R229 Y230 K236E228-H232 WeakPolarHBondContact O-CB 3.24Å; E228-H232 PolarHBondContact O-N 3.46Å; R229-H232 PolarHBondContact O-N 3.44Å; Y230-H232 VanDerWaalsContact C-N 3.3Å; Y230-H232 PolarHBondContact O-N 2.9Å; H232-K236 WeakPolarHBondContact CE1-CE 3.21Å; H232-K236 PolarHBondContact CE1-NZ 2.76Å; H232-K236 VanDerWaalsContact CE1-NZ 3.34Å; H232-K236 WeakPolarHBondContact O-CB 3.36Å; H232-K236 WeakPolarHBondContact O-CG 3.45Å; H232-K236 PolarHBondContact O-N 3.28Å
233L78.5Confident88.2Confident87 Ų87111.3 Ų111.346%0.45551%0.507SS..Hα-helixtrans-63.7-42.4172.5-73.4172.6000111.5R229 Y230 K236 R237R229-L233 WeakPolarHBondContact O-CB 3.43Å; R229-L233 VanDerWaalsContact O-CG 3.29Å; R229-L233 WeakPolarHBondContact O-CG 3.36Å; R229-L233 PolarHBondContact O-N 3.43Å; Y230-L233 WeakPolarHBondContact O-CB 3.33Å; Y230-L233 PolarHBondContact O-N 3.37Å; Y230-L233 VanDerWaalsContact O-N 3.14Å; L233-K236 PolarHBondContact O-N 3.23Å; L233-R237 VanDerWaalsContact O-CB 3.28Å; L233-R237 WeakPolarHBondContact O-CB 3.4Å; L233-R237 WeakPolarHBondContact O-CG 3.26Å; L233-R237 PolarHBondContact O-N 2.93Å
234D84.8Confident88.4Confident61 Ų61108.2 Ų108.233%0.32650%0.497SS..Hα-helixtrans-66.2-42177.5-78.7-4.3000111.9Y230 R231 K236 R237 R238Y230-D234 WeakPolarHBondContact CD1-OD2 3.38Å; Y230-D234 WeakPolarHBondContact CE1-OD2 3.29Å; Y230-D234 WeakPolarHBondContact O-CB 3.22Å; Y230-D234 PolarHBondContact O-N 2.96Å; R231-D234 PolarHBondContact O-N 3.35Å; D234-K236 VanDerWaalsContact C-N 3.34Å; D234-K236 PolarHBondContact O-N 3.48Å; D234-R237 PolarHBondContact O-N 2.99Å; D234-R238 VanDerWaalsContact O-CB 3.26Å; D234-R238 WeakPolarHBondContact O-CB 3.44Å; D234-R238 PolarHBondContact O-N 3.17Å
235A87.1Confident88.5Confident40 Ų40108.4 Ų108.433%0.33150%0.499SS..Hα-helixtrans-61.7-42.2174.400000111.8R231 K239R231-A235 WeakPolarHBondContact O-CB 3.47Å; R231-A235 PolarHBondContact O-N 3.04Å; A235-K239 WeakPolarHBondContact O-CG 3.49Å; A235-K239 PolarHBondContact O-N 2.67Å; A235-K239 VanDerWaalsContact O-N 3.09Å
236K88.3Confident88.7Confident122 Ų122109.9 Ų109.953%0.5351%0.511SS..Hα-helixtrans-66-45.8175.1-79.3-177.9168.2-176.50112.3H232 L233 D234 R238 K239 L240H232-K236 WeakPolarHBondContact CE1-CE 3.21Å; H232-K236 PolarHBondContact CE1-NZ 2.76Å; H232-K236 VanDerWaalsContact CE1-NZ 3.34Å; H232-K236 WeakPolarHBondContact O-CB 3.36Å; H232-K236 WeakPolarHBondContact O-CG 3.45Å; H232-K236 PolarHBondContact O-N 3.28Å; L233-K236 PolarHBondContact O-N 3.23Å; D234-K236 VanDerWaalsContact C-N 3.34Å; D234-K236 PolarHBondContact O-N 3.48Å; K236-R238 VanDerWaalsContact C-N 3.32Å; K236-R238 PolarHBondContact O-N 2.89Å; K236-K239 PolarHBondContact O-N 3.44Å; K236-L240 WeakPolarHBondContact O-CB 3.14Å; K236-L240 PolarHBondContact O-N 3Å
237R86.7Confident88.9Confident156 Ų156114 Ų11459%0.58952%0.515SS*.Hα-helixtrans-60.8-41.7177.2-77.7172.3173.6-171.5-3.5111.5L233 D234 L240 K241L233-R237 VanDerWaalsContact O-CB 3.28Å; L233-R237 WeakPolarHBondContact O-CB 3.4Å; L233-R237 WeakPolarHBondContact O-CG 3.26Å; L233-R237 PolarHBondContact O-N 2.93Å; D234-R237 PolarHBondContact O-N 2.99Å; R237-L240 PolarHBondContact O-N 3.26Å; R237-K241 WeakPolarHBondContact O-CB 3.44Å; R237-K241 PolarHBondContact O-N 2.92Å
238R85.9Confident89.1Confident158 Ų158115.2 Ų115.260%0.59652%0.521SS*.Hα-helixtrans-63.2-49.3176.7-171.8178.472.1-159.60.8111.5D234 K236 L240 K241 E242D234-R238 VanDerWaalsContact O-CB 3.26Å; D234-R238 WeakPolarHBondContact O-CB 3.44Å; D234-R238 PolarHBondContact O-N 3.17Å; K236-R238 VanDerWaalsContact C-N 3.32Å; K236-R238 PolarHBondContact O-N 2.89Å; R238-L240 VanDerWaalsContact C-N 3.33Å; R238-L240 PolarHBondContact O-N 3.46Å; R238-K241 PolarHBondContact O-N 3.47Å; R238-E242 HydrophobicContact CG-CG 4.49Å; R238-E242 VanDerWaalsContact CG-OE1 3.3Å; R238-E242 WeakPolarHBondContact CG-OE1 3.09Å; R238-E242 IonicContact NE-OE1 2.75Å; R238-E242 WeakPolarHBondContact O-CB 3.49Å; R238-E242 WeakPolarHBondContact O-CG 3.25Å; R238-E242 PolarHBondContact O-N 2.91Å
239K93.2Very high89.4Confident141 Ų141111.3 Ų111.361%0.61351%0.51SS*.Hα-helixtrans-58.8-44.2175.6-74.6-175.7177-170.10112.3A235 K236 K241 E242 E243A235-K239 WeakPolarHBondContact O-CG 3.49Å; A235-K239 PolarHBondContact O-N 2.67Å; A235-K239 VanDerWaalsContact O-N 3.09Å; K236-K239 PolarHBondContact O-N 3.44Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 2.93Å; K239-E242 PolarHBondContact O-N 3.17Å; K239-E243 WeakPolarHBondContact O-CB 3.32Å; K239-E243 PolarHBondContact O-N 3.3Å
240L91.4Very high89.7Confident103 Ų103109.2 Ų109.254%0.53951%0.506SS..Hα-helixtrans-62.2-42.8178.1-176.567.4000111.5K236 R237 R238 E243 L244K236-L240 WeakPolarHBondContact O-CB 3.14Å; K236-L240 PolarHBondContact O-N 3Å; R237-L240 PolarHBondContact O-N 3.26Å; R238-L240 VanDerWaalsContact C-N 3.33Å; R238-L240 PolarHBondContact O-N 3.46Å; L240-E243 PolarHBondContact O-N 3.34Å; L240-L244 HydrophobicContact CG-CD1 4.24Å; L240-L244 WeakPolarHBondContact O-CB 3.37Å; L240-L244 VanDerWaalsContact O-CG 3.29Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 2.83Å
241K89.8Confident90.3Very high126 Ų126106.7 Ų106.755%0.54850%0.504SS..Hα-helixtrans-62.5-48175.6-179.1-178.7170.3-176.90111.5R237 R238 K239 E243 L244 E245R237-K241 WeakPolarHBondContact O-CB 3.44Å; R237-K241 PolarHBondContact O-N 2.92Å; R238-K241 PolarHBondContact O-N 3.47Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 2.93Å; K241-E243 VanDerWaalsContact C-N 3.33Å; K241-E243 PolarHBondContact O-N 3.28Å; K241-L244 PolarHBondContact O-N 3.4Å; K241-E245 WeakPolarHBondContact CE-OE1 3.38Å; K241-E245 HydrophobicContact CG-CG 4.45Å; K241-E245 IonicContact NZ-OE1 3.97Å; K241-E245 WeakPolarHBondContact O-CB 3.34Å; K241-E245 WeakPolarHBondContact O-CG 3.47Å; K241-E245 PolarHBondContact O-N 2.93Å
242E91.7Very high90.4Very high103 Ų103104.6 Ų104.648%0.48150%0.501SS..Hα-helixtrans-61-40.7178.4-73167.9-174.400111.8R238 K239 A246R238-E242 HydrophobicContact CG-CG 4.49Å; R238-E242 VanDerWaalsContact CG-OE1 3.3Å; R238-E242 WeakPolarHBondContact CG-OE1 3.09Å; R238-E242 IonicContact NE-OE1 2.75Å; R238-E242 WeakPolarHBondContact O-CB 3.49Å; R238-E242 WeakPolarHBondContact O-CG 3.25Å; R238-E242 PolarHBondContact O-N 2.91Å; K239-E242 PolarHBondContact O-N 3.17Å; E242-A246 VanDerWaalsContact O-CB 3.27Å; E242-A246 WeakPolarHBondContact O-CB 3.47Å; E242-A246 PolarHBondContact O-N 3.18Å
243E93.9Very high90.7Very high105 Ų105104.5 Ų104.549%0.49150%0.504SS..Hα-helixtrans-67-41.8176.6-168.1-172151.800112.2K239 L240 K241 A246 R247K239-E243 WeakPolarHBondContact O-CB 3.32Å; K239-E243 PolarHBondContact O-N 3.3Å; L240-E243 PolarHBondContact O-N 3.34Å; K241-E243 VanDerWaalsContact C-N 3.33Å; K241-E243 PolarHBondContact O-N 3.28Å; E243-A246 PolarHBondContact O-N 2.94Å; E243-R247 WeakPolarHBondContact O-CB 3.13Å; E243-R247 PolarHBondContact O-N 2.89Å; E243-R247 IonicContact OE1-CZ 2.94Å; E243-R247 IonicContact OE1-NH1 3.02Å; E243-R247 IonicContact OE1-NH2 2.67Å; E243-R247 PolarHBondContact OE1-NH2 3.21Å
244L92.7Very high91.4Very high79 Ų79104.9 Ų104.941%0.41450%0.504SS..Hα-helixtrans-62.7-49.5175.3-75.6170.2000111.3L240 K241 A246 R247 E248L240-L244 HydrophobicContact CG-CD1 4.24Å; L240-L244 WeakPolarHBondContact O-CB 3.37Å; L240-L244 VanDerWaalsContact O-CG 3.29Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 2.83Å; K241-L244 PolarHBondContact O-N 3.4Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 2.77Å; L244-R247 PolarHBondContact O-N 3.48Å; L244-E248 WeakPolarHBondContact O-CB 3.38Å; L244-E248 WeakPolarHBondContact O-CG 3.24Å; L244-E248 PolarHBondContact O-N 2.95Å
245E92.9Very high91.7Very high98 Ų98109.1 Ų109.146%0.45852%0.515SS..Hα-helixtrans-61.5-40.2178.5-73.6177170.400111.7K241 E248 A249K241-E245 WeakPolarHBondContact CE-OE1 3.38Å; K241-E245 HydrophobicContact CG-CG 4.45Å; K241-E245 IonicContact NZ-OE1 3.97Å; K241-E245 WeakPolarHBondContact O-CB 3.34Å; K241-E245 WeakPolarHBondContact O-CG 3.47Å; K241-E245 PolarHBondContact O-N 2.93Å; E245-E248 PolarHBondContact O-N 3.17Å; E245-A249 WeakPolarHBondContact O-CB 3.48Å; E245-A249 PolarHBondContact O-N 3.28Å
246A95Very high91.7Very high65 Ų65112.7 Ų112.754%0.53753%0.525SS..Hα-helixtrans-64.7-41.2175.600000112.3E242 E243 L244 K250E242-A246 VanDerWaalsContact O-CB 3.27Å; E242-A246 WeakPolarHBondContact O-CB 3.47Å; E242-A246 PolarHBondContact O-N 3.18Å; E243-A246 PolarHBondContact O-N 2.94Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 2.77Å; A246-K250 WeakPolarHBondContact O-CB 3.25Å; A246-K250 PolarHBondContact O-N 3.17Å
247R93.8Very high91.9Very high143 Ų143112 Ų11254%0.5453%0.527SS..Hα-helixtrans-66.1-44.7176.7-174.2175.8-74130.87.1111.1E243 L244 K250 V251E243-R247 WeakPolarHBondContact O-CB 3.13Å; E243-R247 PolarHBondContact O-N 2.89Å; E243-R247 IonicContact OE1-CZ 2.94Å; E243-R247 IonicContact OE1-NH1 3.02Å; E243-R247 IonicContact OE1-NH2 2.67Å; E243-R247 PolarHBondContact OE1-NH2 3.21Å; L244-R247 PolarHBondContact O-N 3.48Å; R247-K250 PolarHBondContact O-N 3.32Å; R247-V251 WeakPolarHBondContact O-CG2 3.44Å; R247-V251 PolarHBondContact O-N 3.06Å; R247-V251 VanDerWaalsContact O-N 3.12Å
248E92.4Very high92.1Very high124 Ų124111.1 Ų111.158%0.57953%0.53SS*.Hα-helixtrans-64.2-43.5176.8-72.6177.8-176.900111.9L244 E245 K250 V251 Q252L244-E248 WeakPolarHBondContact O-CB 3.38Å; L244-E248 WeakPolarHBondContact O-CG 3.24Å; L244-E248 PolarHBondContact O-N 2.95Å; E245-E248 PolarHBondContact O-N 3.17Å; E248-K250 VanDerWaalsContact C-N 3.33Å; E248-K250 PolarHBondContact O-N 2.92Å; E248-V251 PolarHBondContact O-N 2.88Å; E248-Q252 WeakPolarHBondContact O-CB 3.34Å; E248-Q252 VanDerWaalsContact O-CG 3.27Å; E248-Q252 WeakPolarHBondContact O-CG 3.5Å; E248-Q252 PolarHBondContact O-N 2.91Å
249A94.6Very high92.4Very high47 Ų47106.8 Ų106.839%0.38852%0.518SS..Hα-helixtrans-62.6-39.217700000112.2E245 Q252 N253E245-A249 WeakPolarHBondContact O-CB 3.48Å; E245-A249 PolarHBondContact O-N 3.28Å; A249-Q252 PolarHBondContact O-N 3.19Å; A249-N253 WeakPolarHBondContact O-CB 3.25Å; A249-N253 PolarHBondContact O-N 3.06Å
250K95Very high92.3Very high135 Ų135101.8 Ų101.859%0.58750%0.501SS*.Hα-helixtrans-60.6-49.7174.5-176-179.9173.5-172.50111.2A246 R247 E248 Q252 N253 E254A246-K250 WeakPolarHBondContact O-CB 3.25Å; A246-K250 PolarHBondContact O-N 3.17Å; R247-K250 PolarHBondContact O-N 3.32Å; E248-K250 VanDerWaalsContact C-N 3.33Å; E248-K250 PolarHBondContact O-N 2.92Å; K250-Q252 VanDerWaalsContact C-N 3.33Å; K250-Q252 PolarHBondContact O-N 2.84Å; K250-N253 PolarHBondContact O-N 3.36Å; K250-E254 WeakPolarHBondContact CE-OE1 3.47Å; K250-E254 WeakPolarHBondContact O-CG 3.41Å; K250-E254 PolarHBondContact O-N 2.93Å
251V94Very high92.5Very high80 Ų8099.4 Ų99.449%0.48550%0.496SS..Hα-helixtrans-62.4-39.4178.3172.80000111.7R247 E248 R255R247-V251 WeakPolarHBondContact O-CG2 3.44Å; R247-V251 PolarHBondContact O-N 3.06Å; R247-V251 VanDerWaalsContact O-N 3.12Å; E248-V251 PolarHBondContact O-N 2.88Å; V251-R255 VanDerWaalsContact O-CB 3.31Å; V251-R255 WeakPolarHBondContact O-CB 3.37Å; V251-R255 PolarHBondContact O-N 3.39Å
252Q90.7Very high92.7Very high116 Ų11696.2 Ų96.254%0.54249%0.493SS..Hα-helixtrans-67-41.9177.1-71.8-68.3-19.900112.3E248 A249 K250 R255 Q256E248-Q252 WeakPolarHBondContact O-CB 3.34Å; E248-Q252 VanDerWaalsContact O-CG 3.27Å; E248-Q252 WeakPolarHBondContact O-CG 3.5Å; E248-Q252 PolarHBondContact O-N 2.91Å; A249-Q252 PolarHBondContact O-N 3.19Å; K250-Q252 VanDerWaalsContact C-N 3.33Å; K250-Q252 PolarHBondContact O-N 2.84Å; Q252-R255 PolarHBondContact O-N 3.4Å; Q252-Q256 WeakPolarHBondContact O-CB 3.29Å; Q252-Q256 PolarHBondContact O-N 2.95Å
253N93Very high92.8Very high105 Ų10598.2 Ų98.256%0.56150%0.5SS*.Hα-helixtrans-63.9-46.5175.7-76.7-12.4000111.3A249 K250 R255 Q256 D257A249-N253 WeakPolarHBondContact O-CB 3.25Å; A249-N253 PolarHBondContact O-N 3.06Å; K250-N253 PolarHBondContact O-N 3.36Å; N253-R255 VanDerWaalsContact C-N 3.33Å; N253-R255 PolarHBondContact O-N 2.98Å; N253-Q256 PolarHBondContact O-N 3.49Å; N253-Q256 VanDerWaalsContact O-N 3.14Å; N253-D257 WeakPolarHBondContact O-CB 3.47Å; N253-D257 PolarHBondContact O-N 2.91Å
254E91.6Very high92.8Very high95 Ų95102.3 Ų102.344%0.44451%0.511SS..Hα-helixtrans-57.3-46.5175.4-74.2172.2177.400111.2K250 Q256 D257 E258K250-E254 WeakPolarHBondContact CE-OE1 3.47Å; K250-E254 WeakPolarHBondContact O-CG 3.41Å; K250-E254 PolarHBondContact O-N 2.93Å; E254-Q256 VanDerWaalsContact C-N 3.33Å; E254-Q256 PolarHBondContact O-N 3.2Å; E254-D257 PolarHBondContact O-N 3.23Å; E254-E258 WeakPolarHBondContact O-CG 3.23Å; E254-E258 PolarHBondContact O-N 3.01Å
255R92Very high92.6Very high150 Ų150105.3 Ų105.357%0.56652%0.521SS*.Hα-helixtrans-62.7-38.6176.4-170.8178.2-175.4-177.52.1112.6V251 Q252 N253 E258 I259V251-R255 VanDerWaalsContact O-CB 3.31Å; V251-R255 WeakPolarHBondContact O-CB 3.37Å; V251-R255 PolarHBondContact O-N 3.39Å; Q252-R255 PolarHBondContact O-N 3.4Å; N253-R255 VanDerWaalsContact C-N 3.33Å; N253-R255 PolarHBondContact O-N 2.98Å; R255-E258 PolarHBondContact O-N 3.42Å; R255-I259 HydrophobicContact CG-CD1 4.15Å; R255-I259 WeakPolarHBondContact O-CD1 3.41Å; R255-I259 VanDerWaalsContact O-CG1 3.22Å; R255-I259 WeakPolarHBondContact O-CG1 3.3Å; R255-I259 PolarHBondContact O-N 3.05Å
256Q87.1Confident92.6Very high116 Ų116103.3 Ų103.354%0.54252%0.521SS..Hα-helixtrans-70.2-38.3178.4-170.8680.600111.4Q252 N253 E254 I259 S260Q252-Q256 WeakPolarHBondContact O-CB 3.29Å; Q252-Q256 PolarHBondContact O-N 2.95Å; N253-Q256 PolarHBondContact O-N 3.49Å; N253-Q256 VanDerWaalsContact O-N 3.14Å; E254-Q256 VanDerWaalsContact C-N 3.33Å; E254-Q256 PolarHBondContact O-N 3.2Å; Q256-I259 PolarHBondContact O-N 3.46Å; Q256-S260 WeakPolarHBondContact O-CB 3.21Å; Q256-S260 PolarHBondContact O-N 2.89Å
257D93.1Very high92.6Very high107 Ų107103 Ų10357%0.57252%0.518SS*.Hα-helixtrans-62.5-45173.2-74-19.8000110.4N253 E254 I259 S260 A261N253-D257 WeakPolarHBondContact O-CB 3.47Å; N253-D257 PolarHBondContact O-N 2.91Å; E254-D257 PolarHBondContact O-N 3.23Å; D257-I259 PolarHBondContact O-N 3.47Å; D257-S260 PolarHBondContact O-N 3.44Å; D257-S260 PolarHBondContact O-OG 3.36Å; D257-A261 VanDerWaalsContact O-CB 3.31Å; D257-A261 WeakPolarHBondContact O-CB 3.34Å; D257-A261 PolarHBondContact O-N 2.95Å
258E90Very high92.4Very high138 Ų138100.4 Ų100.465%0.64551%0.512SS*.Hα-helixtrans-58.7-46.5173-74.8-178.8174.100112.4E254 R255 S260 A261 A262E254-E258 WeakPolarHBondContact O-CG 3.23Å; E254-E258 PolarHBondContact O-N 3.01Å; R255-E258 PolarHBondContact O-N 3.42Å; E258-S260 VanDerWaalsContact C-N 3.33Å; E258-S260 PolarHBondContact O-N 3.27Å; E258-A261 PolarHBondContact O-N 3.36Å; E258-A262 VanDerWaalsContact O-CB 3.3Å; E258-A262 WeakPolarHBondContact O-CB 3.19Å; E258-A262 PolarHBondContact O-N 3.47Å
259I92.5Very high92.3Very high66 Ų6697.1 Ų97.134%0.33850%0.498SS..Hα-helixtrans-62.4-42.5177-70.8165.1000110.5R255 Q256 D257 A262 K263R255-I259 HydrophobicContact CG-CD1 4.15Å; R255-I259 WeakPolarHBondContact O-CD1 3.41Å; R255-I259 VanDerWaalsContact O-CG1 3.22Å; R255-I259 WeakPolarHBondContact O-CG1 3.3Å; R255-I259 PolarHBondContact O-N 3.05Å; Q256-I259 PolarHBondContact O-N 3.46Å; D257-I259 PolarHBondContact O-N 3.47Å; I259-A262 PolarHBondContact O-N 3.15Å; I259-K263 HydrophobicContact CG2-CD 4.33Å; I259-K263 WeakPolarHBondContact O-CB 3.29Å; I259-K263 WeakPolarHBondContact O-CG 3.28Å; I259-K263 PolarHBondContact O-N 3.37Å
260S92.1Very high92.2Very high37 Ų37101.6 Ų101.626%0.25951%0.511SS..Hα-helixtrans-67-39.4179.381.90000111.7Q256 D257 E258 K263 R264Q256-S260 WeakPolarHBondContact O-CB 3.21Å; Q256-S260 PolarHBondContact O-N 2.89Å; D257-S260 PolarHBondContact O-N 3.44Å; D257-S260 PolarHBondContact O-OG 3.36Å; E258-S260 VanDerWaalsContact C-N 3.33Å; E258-S260 PolarHBondContact O-N 3.27Å; S260-K263 PolarHBondContact O-N 2.91Å; S260-R264 WeakPolarHBondContact O-CG 3.29Å; S260-R264 PolarHBondContact O-N 2.92Å
261A93.7Very high92.2Very high52 Ų52101.8 Ų101.843%0.4351%0.508SS..Hα-helixtrans-65.3-44.4174.800000111.1D257 E258 K263 R264 F265D257-A261 VanDerWaalsContact O-CB 3.31Å; D257-A261 WeakPolarHBondContact O-CB 3.34Å; D257-A261 PolarHBondContact O-N 2.95Å; E258-A261 PolarHBondContact O-N 3.36Å; A261-K263 PolarHBondContact O-N 3.37Å; A261-R264 PolarHBondContact O-N 3.39Å; A261-F265 WeakPolarHBondContact O-CB 3.33Å; A261-F265 PolarHBondContact O-N 2.95Å
262A94Very high92.1Very high59 Ų59102.6 Ų102.649%0.48851%0.509SS..Hα-helixtrans-61.6-41.317600000112E258 I259 F265 A266E258-A262 VanDerWaalsContact O-CB 3.3Å; E258-A262 WeakPolarHBondContact O-CB 3.19Å; E258-A262 PolarHBondContact O-N 3.47Å; I259-A262 PolarHBondContact O-N 3.15Å; A262-F265 PolarHBondContact O-N 3.06Å; A262-A266 WeakPolarHBondContact O-CB 3.42Å; A262-A266 PolarHBondContact O-N 3.41Å
263K94Very high92Very high146 Ų146106.1 Ų106.164%0.63552%0.518SS*.Hα-helixtrans-63.4-44.6174.5-76.8178.4-179.4179.70112.4I259 S260 A261 F265 A266 A267I259-K263 HydrophobicContact CG2-CD 4.33Å; I259-K263 WeakPolarHBondContact O-CB 3.29Å; I259-K263 WeakPolarHBondContact O-CG 3.28Å; I259-K263 PolarHBondContact O-N 3.37Å; S260-K263 PolarHBondContact O-N 2.91Å; A261-K263 PolarHBondContact O-N 3.37Å; K263-F265 VanDerWaalsContact C-N 3.3Å; K263-F265 PolarHBondContact O-N 2.87Å; K263-A266 PolarHBondContact O-N 3.28Å; K263-A267 PolarHBondContact O-N 2.92Å
264R93.9Very high92Very high191 Ų191103.4 Ų103.472%0.72151%0.509SS*.Hα-helixtrans-59.5-43.8176-73.5173.8-176.3168.74.3111S260 A261 A267 E268S260-R264 WeakPolarHBondContact O-CG 3.29Å; S260-R264 PolarHBondContact O-N 2.92Å; A261-R264 PolarHBondContact O-N 3.39Å; R264-A267 PolarHBondContact O-N 3.12Å; R264-E268 PolarHBondContact O-N 2.76Å; R264-E268 VanDerWaalsContact O-N 3.14Å
265F88.6Confident92.1Very high142 Ų142103.3 Ų103.362%0.62351%0.509SS*.Hα-helixtrans-66.9-41.9178.2-172.2-110.9000112.7A261 A262 K263 A267 E268 I269A261-F265 WeakPolarHBondContact O-CB 3.33Å; A261-F265 PolarHBondContact O-N 2.95Å; A262-F265 PolarHBondContact O-N 3.06Å; K263-F265 VanDerWaalsContact C-N 3.3Å; K263-F265 PolarHBondContact O-N 2.87Å; F265-A267 PolarHBondContact O-N 2.87Å; F265-E268 PolarHBondContact O-N 3.26Å; F265-I269 HydrophobicContact CD1-CD1 3.68Å; F265-I269 HydrophobicContact CD1-CG1 4.45Å; F265-I269 HydrophobicContact CE1-CD1 3.32Å; F265-I269 HydrophobicContact CE1-CG1 4.16Å; F265-I269 HydrophobicContact CZ-CD1 3.87Å; F265-I269 HydrophobicContact CZ-CG1 4.3Å; F265-I269 PolarHBondContact O-N 3.46Å
266A93.6Very high92Very high56 Ų5697.8 Ų97.846%0.46350%0.499SS..Hα-helixtrans-61.6-42.2176.600000112.3A262 K263 E268 I269 E270A262-A266 WeakPolarHBondContact O-CB 3.42Å; A262-A266 PolarHBondContact O-N 3.41Å; K263-A266 PolarHBondContact O-N 3.28Å; A266-E268 VanDerWaalsContact C-N 3.31Å; A266-E268 PolarHBondContact O-N 2.82Å; A266-I269 PolarHBondContact O-N 3.34Å; A266-E270 PolarHBondContact O-N 3.25Å
267A94.3Very high92Very high57 Ų5795.6 Ų95.647%0.47150%0.496SS..Hα-helixtrans-62.5-38.5175.200000112.1K263 R264 F265 E270 R271K263-A267 PolarHBondContact O-N 2.92Å; R264-A267 PolarHBondContact O-N 3.12Å; F265-A267 PolarHBondContact O-N 2.87Å; A267-E270 PolarHBondContact O-N 3.16Å; A267-R271 WeakPolarHBondContact O-CB 3.47Å; A267-R271 PolarHBondContact O-N 3.42Å
268E90.6Very high92Very high90 Ų9096.4 Ų96.442%0.42149%0.494SS..Hα-helixtrans-67.6-40.8176.6-166.962.4-164.400111.9R264 F265 A266 E270 R271 L272R264-E268 PolarHBondContact O-N 2.76Å; R264-E268 VanDerWaalsContact O-N 3.14Å; F265-E268 PolarHBondContact O-N 3.26Å; A266-E268 VanDerWaalsContact C-N 3.31Å; A266-E268 PolarHBondContact O-N 2.82Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E268-E270 PolarHBondContact O-N 3.49Å; E268-R271 PolarHBondContact O-N 2.83Å; E268-R271 IonicContact OE1-NH1 2.63Å; E268-L272 WeakPolarHBondContact O-CG 3.4Å; E268-L272 PolarHBondContact O-N 3.28Å
269I89.3Confident92.1Very high55 Ų5594.4 Ų94.428%0.28249%0.488SS..Hα-helixtrans-60.4-44.5173.3-69.8169.3000111F265 A266 L272 R273F265-I269 HydrophobicContact CD1-CD1 3.68Å; F265-I269 HydrophobicContact CD1-CG1 4.45Å; F265-I269 HydrophobicContact CE1-CD1 3.32Å; F265-I269 HydrophobicContact CE1-CG1 4.16Å; F265-I269 HydrophobicContact CZ-CD1 3.87Å; F265-I269 HydrophobicContact CZ-CG1 4.3Å; F265-I269 PolarHBondContact O-N 3.46Å; A266-I269 PolarHBondContact O-N 3.34Å; I269-L272 PolarHBondContact O-N 2.99Å; I269-R273 HydrophobicContact CG2-CG 4.38Å; I269-R273 WeakPolarHBondContact O-CG 3.14Å; I269-R273 PolarHBondContact O-N 2.89Å
270E92.5Very high92Very high141 Ų14196.7 Ų96.766%0.65950%0.5SS*.Hα-helixtrans-63.3-42.6179.9-173.9172.5-168.300111.6A266 A267 E268 R273 A274A266-E270 PolarHBondContact O-N 3.25Å; A267-E270 PolarHBondContact O-N 3.16Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E268-E270 PolarHBondContact O-N 3.49Å; E270-R273 PolarHBondContact O-N 2.75Å; E270-A274 WeakPolarHBondContact O-CB 3.49Å; E270-A274 PolarHBondContact O-N 2.66Å
271R94.8Very high91.8Very high138 Ų138100.3 Ų100.352%0.52151%0.513SS..Hα-helixtrans-57.5-50173.2-177.8-169165.8-174-1.8111.5A267 E268 R273 A274 E275A267-R271 WeakPolarHBondContact O-CB 3.47Å; A267-R271 PolarHBondContact O-N 3.42Å; E268-R271 PolarHBondContact O-N 2.83Å; E268-R271 IonicContact OE1-NH1 2.63Å; R271-R273 VanDerWaalsContact C-N 3.33Å; R271-R273 PolarHBondContact O-N 2.63Å; R271-A274 PolarHBondContact O-N 2.9Å; R271-E275 IonicContact CZ-OE1 3.88Å; R271-E275 IonicContact NE-OE1 3.95Å; R271-E275 PolarHBondContact NE-OE1 3.47Å; R271-E275 IonicContact NH2-OE1 3.3Å; R271-E275 PolarHBondContact NH2-OE1 2.83Å; R271-E275 WeakPolarHBondContact O-CG 3.33Å; R271-E275 PolarHBondContact O-N 3.15Å
272L91.8Very high91.7Very high98 Ų98105.4 Ų105.451%0.51352%0.521SS..Hα-helixtrans-61.7-39.3178.6-72171.4000112.1E268 I269 E275 G276E268-L272 WeakPolarHBondContact O-CG 3.4Å; E268-L272 PolarHBondContact O-N 3.28Å; I269-L272 PolarHBondContact O-N 2.99Å; L272-E275 PolarHBondContact O-N 3.24Å; L272-G276 PolarHBondContact O-N 2.93Å
273R89.4Confident91.3Very high190 Ų190107.8 Ų107.872%0.71752%0.522SS*.Hα-helixtrans-64.2-40.2174.4-76178.1179.6167.50.6112.2I269 E270 R271 G276 S277I269-R273 HydrophobicContact CG2-CG 4.38Å; I269-R273 WeakPolarHBondContact O-CG 3.14Å; I269-R273 PolarHBondContact O-N 2.89Å; E270-R273 PolarHBondContact O-N 2.75Å; R271-R273 VanDerWaalsContact C-N 3.33Å; R271-R273 PolarHBondContact O-N 2.63Å; R273-G276 PolarHBondContact O-N 2.78Å; R273-S277 VanDerWaalsContact O-CB 3.31Å; R273-S277 WeakPolarHBondContact O-CB 3.39Å; R273-S277 PolarHBondContact O-N 2.7Å
274A93.7Very high91Very high47 Ų47107.4 Ų107.439%0.38852%0.52SS..Hα-helixtrans-67.7-40.317700000111.9E270 R271 S277 K278E270-A274 WeakPolarHBondContact O-CB 3.49Å; E270-A274 PolarHBondContact O-N 2.66Å; R271-A274 PolarHBondContact O-N 2.9Å; A274-S277 PolarHBondContact O-N 3.27Å; A274-K278 WeakPolarHBondContact O-CG 3.41Å; A274-K278 PolarHBondContact O-N 3.49Å; A274-K278 VanDerWaalsContact O-N 3.11Å
275E93.4Very high90.9Very high94 Ų94102.6 Ų102.644%0.43951%0.506SS..Hα-helixtrans-62.3-45.5172.7-72.2179.6-169.800111R271 L272 K278 L279R271-E275 IonicContact CZ-OE1 3.88Å; R271-E275 IonicContact NE-OE1 3.95Å; R271-E275 PolarHBondContact NE-OE1 3.47Å; R271-E275 IonicContact NH2-OE1 3.3Å; R271-E275 PolarHBondContact NH2-OE1 2.83Å; R271-E275 WeakPolarHBondContact O-CG 3.33Å; R271-E275 PolarHBondContact O-N 3.15Å; L272-E275 PolarHBondContact O-N 3.24Å; E275-K278 PolarHBondContact O-N 2.86Å; E275-L279 PolarHBondContact O-N 3.46Å
276G89.1Confident91.1Very high34 Ų34100 Ų10035%0.35150%0.499SS..Hα-helixtrans-63-41.9175.300000113.9L272 R273 K278 L279 L280L272-G276 PolarHBondContact O-N 2.93Å; R273-G276 PolarHBondContact O-N 2.78Å; G276-K278 PolarHBondContact O-N 3.41Å; G276-L279 WeakPolarHBondContact O-CB 3.39Å; G276-L279 PolarHBondContact O-N 3.32Å; G276-L280 PolarHBondContact O-N 3.36Å
277S88.4Confident90.8Very high69 Ų69101.2 Ų101.248%0.48350%0.5SS..Hα-helixtrans-62.2-43.4177.4179.70000112.2R273 A274 L279 L280 Q281R273-S277 VanDerWaalsContact O-CB 3.31Å; R273-S277 WeakPolarHBondContact O-CB 3.39Å; R273-S277 PolarHBondContact O-N 2.7Å; A274-S277 PolarHBondContact O-N 3.27Å; S277-L279 VanDerWaalsContact C-N 3.28Å; S277-L279 PolarHBondContact O-N 2.97Å; S277-L280 PolarHBondContact O-N 2.97Å; S277-Q281 WeakPolarHBondContact O-CB 3.44Å; S277-Q281 PolarHBondContact O-N 3.24Å
278K93.4Very high90.4Very high124 Ų124103.1 Ų103.154%0.53950%0.499SS..Hα-helixtrans-61.5-37.2175.2-73.2172.9-177.1175.90112A274 E275 G276 R282A274-K278 WeakPolarHBondContact O-CG 3.41Å; A274-K278 PolarHBondContact O-N 3.49Å; A274-K278 VanDerWaalsContact O-N 3.11Å; E275-K278 PolarHBondContact O-N 2.86Å; G276-K278 PolarHBondContact O-N 3.41Å; K278-R282 VanDerWaalsContact O-CG 3.31Å; K278-R282 WeakPolarHBondContact O-CG 3.47Å; K278-R282 PolarHBondContact O-N 3.48Å; K278-R282 VanDerWaalsContact O-N 3.1Å
279L91.5Very high90.3Very high96 Ų96104.5 Ų104.550%0.50350%0.504SS..Hα-helixtrans-65.2-49.9177.2-166105.9000111.2E275 G276 S277 Q281 R282 E283E275-L279 PolarHBondContact O-N 3.46Å; G276-L279 WeakPolarHBondContact O-CB 3.39Å; G276-L279 PolarHBondContact O-N 3.32Å; S277-L279 VanDerWaalsContact C-N 3.28Å; S277-L279 PolarHBondContact O-N 2.97Å; L279-Q281 VanDerWaalsContact C-N 3.26Å; L279-Q281 PolarHBondContact O-N 2.94Å; L279-R282 WeakPolarHBondContact O-CB 3.28Å; L279-R282 PolarHBondContact O-N 3.48Å; L279-R282 VanDerWaalsContact O-N 3.15Å; L279-E283 PolarHBondContact O-N 3.26Å
280L89.1Confident90.1Very high114 Ų114107.8 Ų107.860%0.59752%0.518SS*.Hα-helixtrans-58.9-38.8177.1-74170.6000112.2G276 S277 E283 K284G276-L280 PolarHBondContact O-N 3.36Å; S277-L280 PolarHBondContact O-N 2.97Å; L280-E283 PolarHBondContact O-N 3.29Å; L280-K284 WeakPolarHBondContact O-CB 3.32Å; L280-K284 PolarHBondContact O-N 3.05Å
281Q89.2Confident89.7Confident114 Ų114105.3 Ų105.353%0.53351%0.512SS..Hα-helixtrans-65.9-42.6177.7-168.7161.72.700111.7S277 L279 K284 E285S277-Q281 WeakPolarHBondContact O-CB 3.44Å; S277-Q281 PolarHBondContact O-N 3.24Å; L279-Q281 VanDerWaalsContact C-N 3.26Å; L279-Q281 PolarHBondContact O-N 2.94Å; Q281-K284 PolarHBondContact O-N 3.15Å; Q281-E285 WeakPolarHBondContact O-CG 3.39Å; Q281-E285 PolarHBondContact O-N 3.36Å
282R90.3Very high89Confident158 Ų158105.9 Ų105.960%0.59652%0.519SS*.Hα-helixtrans-62.1-42173.6-72.1171-178.6163.9-0.3112K278 L279 E285 N286K278-R282 VanDerWaalsContact O-CG 3.31Å; K278-R282 WeakPolarHBondContact O-CG 3.47Å; K278-R282 PolarHBondContact O-N 3.48Å; K278-R282 VanDerWaalsContact O-N 3.1Å; L279-R282 WeakPolarHBondContact O-CB 3.28Å; L279-R282 PolarHBondContact O-N 3.48Å; L279-R282 VanDerWaalsContact O-N 3.15Å; R282-E285 PolarHBondContact O-N 2.99Å; R282-N286 WeakPolarHBondContact O-CB 3.49Å; R282-N286 VanDerWaalsContact O-CG 3.24Å; R282-N286 PolarHBondContact O-N 3.35Å; R282-N286 PolarHBondContact O-ND2 3.48Å
283E87.4Confident88.5Confident110 Ų110107 Ų10751%0.51452%0.521SS..Hα-helixtrans-63.2-45.7176-75.3-169.9162.800111.6L279 L280 E285 N286 V287L279-E283 PolarHBondContact O-N 3.26Å; L280-E283 PolarHBondContact O-N 3.29Å; E283-E285 VanDerWaalsContact C-N 3.34Å; E283-E285 PolarHBondContact O-N 3.46Å; E283-N286 WeakPolarHBondContact O-CB 3.01Å; E283-N286 PolarHBondContact O-N 2.76Å; E283-N286 VanDerWaalsContact O-N 3.14Å; E283-V287 WeakPolarHBondContact O-CG2 3.45Å; E283-V287 PolarHBondContact O-N 2.89Å
284K88Confident88.1Confident137 Ų137103.8 Ų103.860%0.59651%0.514SS*.Hα-helixtrans-59.5-44.1176.4-174-179.2174.7-174.50111.8L280 Q281 N286 V287 E288L280-K284 WeakPolarHBondContact O-CB 3.32Å; L280-K284 PolarHBondContact O-N 3.05Å; Q281-K284 PolarHBondContact O-N 3.15Å; K284-N286 VanDerWaalsContact C-N 3.32Å; K284-N286 PolarHBondContact O-N 2.86Å; K284-V287 PolarHBondContact O-N 3.27Å; K284-E288 VanDerWaalsContact CE-OE1 3.26Å; K284-E288 WeakPolarHBondContact CE-OE1 3.45Å; K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 WeakPolarHBondContact O-CG 3.46Å; K284-E288 PolarHBondContact O-N 3.06Å
285E91.4Very high87.1Confident90 Ų90104.4 Ų104.442%0.42152%0.52SS..Hα-helixtrans-61.5-39.6175.5-75.1175.3-168.900112.2Q281 R282 E283 K289Q281-E285 WeakPolarHBondContact O-CG 3.39Å; Q281-E285 PolarHBondContact O-N 3.36Å; R282-E285 PolarHBondContact O-N 2.99Å; E283-E285 VanDerWaalsContact C-N 3.34Å; E283-E285 PolarHBondContact O-N 3.46Å; E285-K289 VanDerWaalsContact O-CG 3.27Å; E285-K289 WeakPolarHBondContact O-CG 3.37Å; E285-K289 PolarHBondContact O-N 3.06Å
286N91.2Very high86.1Confident88 Ų88110.5 Ų110.547%0.47154%0.539SS..Hα-helixtrans-66.2-42.6176.1-72.5-13.8000111.6R282 E283 K284 K289 Q290R282-N286 WeakPolarHBondContact O-CB 3.49Å; R282-N286 VanDerWaalsContact O-CG 3.24Å; R282-N286 PolarHBondContact O-N 3.35Å; R282-N286 PolarHBondContact O-ND2 3.48Å; E283-N286 WeakPolarHBondContact O-CB 3.01Å; E283-N286 PolarHBondContact O-N 2.76Å; E283-N286 VanDerWaalsContact O-N 3.14Å; K284-N286 VanDerWaalsContact C-N 3.32Å; K284-N286 PolarHBondContact O-N 2.86Å; N286-K289 PolarHBondContact O-N 2.89Å; N286-Q290 WeakPolarHBondContact O-CG 3.44Å; N286-Q290 PolarHBondContact O-N 2.95Å
287V87.3Confident85.3Confident82 Ų82117.2 Ų117.250%0.49756%0.558SS.*Hα-helixtrans-63.6-44.7175.1172.60000111E283 K284 K289 Q290 V291E283-V287 WeakPolarHBondContact O-CG2 3.45Å; E283-V287 PolarHBondContact O-N 2.89Å; K284-V287 PolarHBondContact O-N 3.27Å; V287-K289 VanDerWaalsContact C-N 3.29Å; V287-K289 PolarHBondContact O-N 2.83Å; V287-Q290 WeakPolarHBondContact O-CB 3.33Å; V287-Q290 PolarHBondContact O-N 3.04Å; V287-Q290 VanDerWaalsContact O-N 3.15Å; V287-V291 HydrophobicContact CG1-CG2 4.44Å; V287-V291 WeakPolarHBondContact O-CG2 3.13Å; V287-V291 PolarHBondContact O-N 3.27Å
288E87.5Confident83.6Confident96 Ų96121.2 Ų121.245%0.44957%0.569SS.*Hα-helixtrans-61.5-36.3177-78.3-176.7-174.200112.6K284 K292K284-E288 VanDerWaalsContact CE-OE1 3.26Å; K284-E288 WeakPolarHBondContact CE-OE1 3.45Å; K284-E288 WeakPolarHBondContact O-CB 3.41Å; K284-E288 WeakPolarHBondContact O-CG 3.46Å; K284-E288 PolarHBondContact O-N 3.06Å; E288-K292 WeakPolarHBondContact O-CB 3.37Å; E288-K292 PolarHBondContact O-N 3.08Å
289K88.3Confident81.2Confident120 Ų120118.6 Ų118.652%0.52258%0.578SS.*Hα-helixtrans-64.3-45.1173.1-73.4169.1-171.2169.40111.3E285 N286 V287 K292 E293E285-K289 VanDerWaalsContact O-CG 3.27Å; E285-K289 WeakPolarHBondContact O-CG 3.37Å; E285-K289 PolarHBondContact O-N 3.06Å; N286-K289 PolarHBondContact O-N 2.89Å; V287-K289 VanDerWaalsContact C-N 3.29Å; V287-K289 PolarHBondContact O-N 2.83Å; K289-K292 PolarHBondContact O-N 3.28Å; K289-E293 WeakPolarHBondContact O-CG 3.46Å; K289-E293 PolarHBondContact O-N 3.42Å
290Q84.6Confident79.1Confident123 Ų123123.7 Ų123.758%0.57560%0.596SS**Hα-helixtrans-60.4-46.6176.5-71.2178.4700111.7N286 V287 K292 E293 E294N286-Q290 WeakPolarHBondContact O-CG 3.44Å; N286-Q290 PolarHBondContact O-N 2.95Å; V287-Q290 WeakPolarHBondContact O-CB 3.33Å; V287-Q290 PolarHBondContact O-N 3.04Å; V287-Q290 VanDerWaalsContact O-N 3.15Å; Q290-K292 VanDerWaalsContact C-N 3.32Å; Q290-K292 PolarHBondContact O-N 2.94Å; Q290-E293 PolarHBondContact O-N 3.5Å; Q290-E293 VanDerWaalsContact O-N 3.15Å; Q290-E294 PolarHBondContact O-N 3.32Å
291V83.3Confident77.1Confident89 Ų89124.3 Ų124.354%0.53961%0.607SS.*Hα-helixtrans-61.3-39.9177.5174.40000111.5V287 E294 A295V287-V291 HydrophobicContact CG1-CG2 4.44Å; V287-V291 WeakPolarHBondContact O-CG2 3.13Å; V287-V291 PolarHBondContact O-N 3.27Å; V291-E294 PolarHBondContact O-N 2.97Å; V291-A295 VanDerWaalsContact O-CB 3.28Å; V291-A295 WeakPolarHBondContact O-CB 3.02Å; V291-A295 PolarHBondContact O-N 3.47Å
292K81.4Confident75.1Confident151 Ų151128.3 Ų128.366%0.65763%0.625SS**Hα-helixtrans-66.8-36.6175.3-85.5178.6178.11680113E288 K289 Q290 R296E288-K292 WeakPolarHBondContact O-CB 3.37Å; E288-K292 PolarHBondContact O-N 3.08Å; K289-K292 PolarHBondContact O-N 3.28Å; Q290-K292 VanDerWaalsContact C-N 3.32Å; Q290-K292 PolarHBondContact O-N 2.94Å; K292-R296 PolarHBondContact O-N 3.36Å
293E81.7Confident73.2Confident121 Ų121125.4 Ų125.457%0.56563%0.63SS**Hα-helixtrans-69.2-41.3175.3-76.4-174.117600111.8K289 Q290 R296 K297K289-E293 WeakPolarHBondContact O-CG 3.46Å; K289-E293 PolarHBondContact O-N 3.42Å; Q290-E293 PolarHBondContact O-N 3.5Å; Q290-E293 VanDerWaalsContact O-N 3.15Å; E293-R296 WeakPolarHBondContact O-CB 3.25Å; E293-R296 PolarHBondContact O-N 3.09Å; E293-R296 VanDerWaalsContact O-N 3.13Å; E293-K297 WeakPolarHBondContact O-CG 3.25Å; E293-K297 PolarHBondContact O-N 3.1Å
294E79.1Confident71.7Confident122 Ų122124.3 Ų124.357%0.5763%0.634SS**Hα-helixtrans-63-44173.1-73.3-170160.100111.8Q290 V291 R296 K297 Q298Q290-E294 PolarHBondContact O-N 3.32Å; V291-E294 PolarHBondContact O-N 2.97Å; E294-R296 PolarHBondContact O-N 3.25Å; E294-K297 PolarHBondContact O-N 3.4Å; E294-Q298 PolarHBondContact O-N 2.89Å
295A72.9Confident70.7Confident60 Ų60123 Ų12350%0.49663%0.633SS.*Hα-helixtrans-66-18.6173.300000113.7V291V291-A295 VanDerWaalsContact O-CB 3.28Å; V291-A295 WeakPolarHBondContact O-CB 3.02Å; V291-A295 PolarHBondContact O-N 3.47Å
296R73.1Confident69.7Low222 Ų222127 Ų12784%0.83864%0.644SS**Hα-helixtrans-79.8-35.4168.2-90.7-178.5164.2-172.6-4.2112K292 E293 E294K292-R296 PolarHBondContact O-N 3.36Å; E293-R296 WeakPolarHBondContact O-CB 3.25Å; E293-R296 PolarHBondContact O-N 3.09Å; E293-R296 VanDerWaalsContact O-N 3.13Å; E294-R296 PolarHBondContact O-N 3.25Å
297K71.5Confident69.2Low176 Ų176124.4 Ų124.477%0.76563%0.63SS**Hα-helixtrans-72.1-31.9176.6-69.8177.1-177.21750112E293 E294E293-K297 WeakPolarHBondContact O-CG 3.25Å; E293-K297 PolarHBondContact O-N 3.1Å; E294-K297 PolarHBondContact O-N 3.4Å
298Q53.8Low69.1Low152 Ų152121.2 Ų121.271%0.7161%0.611SS**SBendtrans-94.3104.2173.1-64.9-177.36.700110E294E294-Q298 PolarHBondContact O-N 2.89Å
299G43.4Very low69Low70 Ų70116.7 Ų116.772%0.72259%0.59SS**PPolyproline II helixtrans-54.2142.2-176.600000114.4
300K45.6Very low69Low202 Ų202113.4 Ų113.488%0.87858%0.575SS**PPolyproline II helixtrans-60.6132.8178-80.7178.7174.8179.10111.9Q302K300-Q302 PolarHBondContact O-N 3.35Å
301P48.9Very low69.1Low128 Ų128107.6 Ų107.683%0.83155%0.548SS*.PPolyproline II helixtrans-67.9128.7164.926.8-30000109.9
302Q46.4Very low69.3Low197 Ų197106.7 Ų106.792%0.92154%0.538SS*.PPolyproline II helixtrans-76.5137.9-177.3-140.2172.94.400110.5K300K300-Q302 PolarHBondContact O-N 3.35Å
303S49.5Very low69.5Low98 Ų98101.4 Ų101.469%0.68551%0.514SS*.PPolyproline II helixtrans-73127.3-165.256.10000114.9
304S56.9Low69.5Low87 Ų87100.8 Ų100.861%0.60852%0.515SS*.  trans-98.822.7175.4-165.90000113.6R306S304-R306 PolarHBondContact O-N 3.4Å
305L66.6Low69.3Low109 Ų10998.6 Ų98.657%0.57151%0.511SS*.G310 helixtrans-72.6-8.8-173.4-72.8171.9000114.7N307 V308L305-N307 PolarHBondContact O-N 2.94Å; L305-N307 VanDerWaalsContact O-N 3.16Å; L305-V308 HydrophobicContact CD2-CG2 4.45Å; L305-V308 PolarHBondContact O-N 3.04Å
306R71.4Confident69.4Low175 Ų175103 Ų10366%0.6653%0.526SS*.G310 helixtrans-63.7-22.4-174.1-65.6-175.3-172.2-179.83114S304 F355S304-R306 PolarHBondContact O-N 3.4Å; R306-F355 HydrophobicContact CB-CD2 4.05Å; R306-F355 VanDerWaalsContact O-CD2 3.31Å; R306-F355 WeakPolarHBondContact O-CD2 3.42Å
307N80.5Confident69.1Low33 Ų3394.8 Ų94.818%0.17651%0.506CS..G310 helixtrans-94.66.5-175.6-55-11.1000113.2L305 F352 R353 F355L305-N307 PolarHBondContact O-N 2.94Å; L305-N307 VanDerWaalsContact O-N 3.16Å; N307-F352 WeakPolarHBondContact CB-O 3.23Å; N307-F352 PolarHBondContact O-N 2.88Å; N307-R353 PolarHBondContact ND2-O 3.11Å; N307-R353 VanDerWaalsContact ND2-O 3.1Å; N307-F355 PolarHBondContact OD1-N 2.94Å
308V84.1Confident68.6Low15 Ų1590.9 Ų90.99%0.09151%0.506CS..EExtended strand (participates in β ladder)trans-103134-173.4-170.50000110.5L305 V349 I350 E351 L377L305-V308 HydrophobicContact CD2-CG2 4.45Å; L305-V308 PolarHBondContact O-N 3.04Å; V308-V349 HydrophobicContact CG1-CG1 3.13Å; V308-I350 CarbonylContact C-O 3.56Å; V308-E351 HydrophobicContact CG2-CB 4.36Å; V308-E351 HydrophobicContact CG2-CG 4.14Å; V308-L377 HydrophobicContact CB-CB 4.38Å; V308-L377 HydrophobicContact CG1-CD1 3.93Å; V308-L377 WeakPolarHBondContact O-CB 3.26Å; V308-L377 PolarHBondContact O-N 3.45Å
309V86Confident69.2Low0 Ų089.4 Ų89.40%051%0.513CS..EExtended strand (participates in β ladder)trans-128.8131.9-177-144.50000109.4V349 I350 F352 A358 V374 E375 L376V309-V349 CarbonylContact O-C 3.54Å; V309-V349 WeakPolarHBondContact O-CA 3.47Å; V309-I350 PolarHBondContact N-O 2.96Å; V309-I350 PolarHBondContact O-N 3.1Å; V309-F352 HydrophobicContact CB-CE2 4.36Å; V309-F352 HydrophobicContact CG2-CD2 3.51Å; V309-F352 HydrophobicContact CG2-CE2 3.51Å; V309-A358 HydrophobicContact CG2-CB 3.51Å; V309-V374 HydrophobicContact CB-CG1 4.24Å; V309-V374 HydrophobicContact CG1-CG1 3.14Å; V309-E375 CarbonylContact C-O 3.57Å; V309-E375 WeakPolarHBondContact CG1-O 3.01Å; V309-L376 HydrophobicContact CG1-CG 4.28Å
310K88.3Confident70.6Confident52 Ų5287.5 Ų87.523%0.22649%0.487CS..EExtended strand (participates in β ladder)trans-93.8120.3175.6-179-176.1162.9-147.30108.9T347 A348 E375 L377K310-T347 HydrophobicContact CG-CG2 4.32Å; K310-A348 CarbonylContact C-O 3.6Å; K310-E375 HydrophobicContact CB-CB 4.46Å; K310-E375 PolarHBondContact N-O 3.43Å; K310-E375 IonicContact NZ-OE2 3.77Å; K310-E375 PolarHBondContact O-N 3.28Å; K310-L377 HydrophobicContact CB-CD1 3.98Å; K310-L377 HydrophobicContact CB-CG 4.12Å
311V87.1Confident72.1Confident0 Ų080.5 Ų80.50%046%0.463CS..EExtended strand (participates in β ladder)trans-105.2132.5-179.1-167.80000109W313 F329 T347 A348 I350 F372 S373 V374V311-W313 HydrophobicContact CB-CZ3 4.4Å; V311-W313 HydrophobicContact CG1-CE3 4.23Å; V311-W313 HydrophobicContact CG1-CZ3 4.36Å; V311-F329 HydrophobicContact CB-CE2 4.46Å; V311-F329 HydrophobicContact CB-CZ 4.34Å; V311-F329 HydrophobicContact CG1-CE2 3.75Å; V311-F329 HydrophobicContact CG1-CZ 3.59Å; V311-F329 HydrophobicContact CG2-CE1 4.33Å; V311-F329 HydrophobicContact CG2-CE2 3.98Å; V311-F329 HydrophobicContact CG2-CZ 3.73Å; V311-T347 CarbonylContact O-C 3.58Å; V311-T347 WeakPolarHBondContact O-CA 3.23Å; V311-T347 WeakPolarHBondContact O-CG2 3.19Å; V311-A348 PolarHBondContact N-O 3.47Å; V311-A348 PolarHBondContact O-N 3.07Å; V311-I350 HydrophobicContact CG2-CB 4.44Å; V311-I350 HydrophobicContact CG2-CD1 3.58Å; V311-I350 HydrophobicContact CG2-CG1 3.82Å; V311-F372 HydrophobicContact CG1-CB 3.65Å; V311-F372 HydrophobicContact CG1-CD1 3.92Å; V311-F372 HydrophobicContact CG1-CG 3.92Å; V311-S373 CarbonylContact C-O 3.59Å; V311-S373 WeakPolarHBondContact CA-O 3.45Å; V311-V374 HydrophobicContact CG1-CG2 4.16Å; V311-V374 HydrophobicContact CG2-CG2 4.42Å
312Q87Confident73.6Confident71 Ų7176.8 Ų76.833%0.33244%0.444SS..EExtended strand (participates in β ladder)trans-124139.8174.7-41.9-159-10000110.5G346 T347 S373Q312-G346 CarbonylContact C-O 3.57Å; Q312-G346 VanDerWaalsContact CA-O 3.26Å; Q312-G346 WeakPolarHBondContact CA-O 3.46Å; Q312-T347 HydrophobicContact CB-CG2 4.21Å; Q312-T347 HydrophobicContact CG-CG2 3.56Å; Q312-S373 PolarHBondContact N-O 3.2Å; Q312-S373 PolarHBondContact O-N 3.4Å
313W86.3Confident75.4Confident40 Ų4073.1 Ų73.115%0.15243%0.431CS..  trans-134.7165.9170.753.2101.6000110.1V311 P315 V320 L325 G346 A348 F372V311-W313 HydrophobicContact CB-CZ3 4.4Å; V311-W313 HydrophobicContact CG1-CE3 4.23Å; V311-W313 HydrophobicContact CG1-CZ3 4.36Å; W313-P315 WeakPolarHBondContact O-CD 3.35Å; W313-V320 HydrophobicContact CD2-CB 4.45Å; W313-V320 HydrophobicContact CD2-CG1 4.41Å; W313-V320 HydrophobicContact CG-CG2 4.21Å; W313-V320 HydrophobicContact CZ2-CB 4.22Å; W313-V320 HydrophobicContact CZ2-CG1 4.16Å; W313-L325 HydrophobicContact CE3-CD2 4.3Å; W313-L325 HydrophobicContact CH2-CD1 3.69Å; W313-L325 HydrophobicContact CH2-CD2 4.43Å; W313-L325 HydrophobicContact CZ2-CD1 4.5Å; W313-L325 HydrophobicContact CZ3-CD1 3.92Å; W313-L325 HydrophobicContact CZ3-CD2 3.98Å; W313-G346 PolarHBondContact N-O 3.24Å; W313-A348 HydrophobicContact CH2-CB 3.68Å; W313-A348 HydrophobicContact CZ3-CB 3.81Å; W313-F372 HydrophobicContact CB-CD1 3.71Å; W313-F372 HydrophobicContact CB-CE1 3.8Å; W313-F372 HydrophobicContact CD2-CD1 4.3Å; W313-F372 HydrophobicContact CD2-CE1 4.04Å; W313-F372 AromaticContact CE3-CD1 3.96Å; W313-F372 HydrophobicContact CE3-CD1 3.96Å; W313-F372 AromaticContact CE3-CE1 3.99Å; W313-F372 HydrophobicContact CE3-CE1 3.99Å; W313-F372 HydrophobicContact CG-CD1 4.25Å; W313-F372 AromaticContact CG-CE1 3.98Å; W313-F372 HydrophobicContact CG-CE1 3.98Å
314D81Confident77.1Confident108 Ų10873 Ų7358%0.57842%0.418SS*.  trans-64.2119.1172.7-157.9-18.1000109.4D316 A317D314-D316 PolarHBondContact O-N 3.47Å; D314-D316 VanDerWaalsContact O-N 3.07Å; D314-A317 HydrophobicContact CB-CB 4.33Å; D314-A317 WeakPolarHBondContact O-CB 3.16Å; D314-A317 PolarHBondContact O-N 2.8Å
315P75.4Confident78.5Confident75 Ų7569 Ų6949%0.48739%0.39SS..THydrogen-bonded Turntrans-60.3-17-177.621.5-32.8000114.3W313 K345W313-P315 WeakPolarHBondContact O-CD 3.35Å; P315-K345 HydrophobicContact CB-CB 4.32Å
316D74.3Confident79.5Confident152 Ų15269.6 Ų69.681%0.81338%0.384SS*.THydrogen-bonded Turntrans-90.7-11.1177.4-67.3-22.5000113.6D314D314-D316 PolarHBondContact O-N 3.47Å; D314-D316 VanDerWaalsContact O-N 3.07Å
317A68Low80.2Confident50 Ų5068.7 Ų68.741%0.41339%0.385SS..SBendtrans-68.8137.3172.500000110.1D314 S319D314-A317 HydrophobicContact CB-CB 4.33Å; D314-A317 WeakPolarHBondContact O-CB 3.16Å; D314-A317 PolarHBondContact O-N 2.8Å; A317-S319 PolarHBondContact O-N 3.3Å
318A61.1Low80.5Confident94 Ų9467.7 Ų67.778%0.77738%0.381SS*.THydrogen-bonded Turntrans-31.2123.1-174.600000113.3V320A318-V320 WeakPolarHBondContact O-CG2 3.32Å; A318-V320 PolarHBondContact O-N 3.26Å
319S65.5Low80.7Confident121 Ų12167 Ų6785%0.84638%0.376SS*.THydrogen-bonded Turntrans-29.692.3-172.660.40000114.1A317 S321A317-S319 PolarHBondContact O-N 3.3Å; S319-S321 PolarHBondContact O-N 3.12Å
320V72.3Confident80.8Confident31 Ų3172.5 Ų72.519%0.18840%0.402CS..  trans-69.8103.9179.3173.60000107.9W313 A318 F324 L325 F372W313-V320 HydrophobicContact CD2-CB 4.45Å; W313-V320 HydrophobicContact CD2-CG1 4.41Å; W313-V320 HydrophobicContact CG-CG2 4.21Å; W313-V320 HydrophobicContact CZ2-CB 4.22Å; W313-V320 HydrophobicContact CZ2-CG1 4.16Å; A318-V320 WeakPolarHBondContact O-CG2 3.32Å; A318-V320 PolarHBondContact O-N 3.26Å; V320-F324 HydrophobicContact CG1-CD1 4.03Å; V320-L325 HydrophobicContact CG1-CD1 4.29Å; V320-L325 HydrophobicContact CG1-CD2 3.71Å; V320-L325 HydrophobicContact CG1-CG 3.65Å; V320-F372 HydrophobicContact CG1-CE1 4.11Å; V320-F372 HydrophobicContact CG1-CZ 4.11Å; V320-F372 HydrophobicContact CG2-CE1 4.22Å; V320-F372 HydrophobicContact CG2-CZ 4.39Å
321S77.6Confident80.8Confident54 Ų5476.3 Ų76.338%0.37842%0.42SS..  trans-76.3159.917585.20000110.7S319 D323 F324 L325S319-S321 PolarHBondContact O-N 3.12Å; S321-D323 PolarHBondContact O-N 3.02Å; S321-D323 PolarHBondContact OG-N 3.36Å; S321-F324 PolarHBondContact O-N 3.1Å; S321-F324 VanDerWaalsContact O-N 3.1Å; S321-F324 PolarHBondContact OG-N 2.75Å; S321-L325 PolarHBondContact O-N 3.39Å
322A80.5Confident80.8Confident50 Ų5078.1 Ų78.141%0.41343%0.428SS..Hα-helixtrans-56.8-32173.800000111.8L325 R326A322-L325 PolarHBondContact O-N 3.42Å; A322-R326 PolarHBondContact O-N 2.97Å
323D84.1Confident80.7Confident121 Ų12175.7 Ų75.765%0.64742%0.422SS*.Hα-helixtrans-69.8-36.2177.6-54.7-42.5000112.3S321 R326 F327S321-D323 PolarHBondContact O-N 3.02Å; S321-D323 PolarHBondContact OG-N 3.36Å; D323-R326 WeakPolarHBondContact O-CB 3.39Å; D323-R326 PolarHBondContact O-N 3.31Å; D323-F327 WeakPolarHBondContact O-CB 3.1Å; D323-F327 PolarHBondContact O-N 3.37Å
324F85.6Confident80.7Confident95 Ų9578.7 Ų78.742%0.41744%0.438SS..Hα-helixtrans-67.1-39.4174.6-173.7-99.2000111.9V320 S321 R326 T328 F372V320-F324 HydrophobicContact CG1-CD1 4.03Å; S321-F324 PolarHBondContact O-N 3.1Å; S321-F324 VanDerWaalsContact O-N 3.1Å; S321-F324 PolarHBondContact OG-N 2.75Å; F324-R326 VanDerWaalsContact C-N 3.33Å; F324-T328 WeakPolarHBondContact O-CB 3.32Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 3.27Å; F324-F372 HydrophobicContact CD1-CE2 4.4Å; F324-F372 AromaticContact CD1-CZ 3.9Å; F324-F372 HydrophobicContact CD1-CZ 3.9Å; F324-F372 AromaticContact CE1-CE2 3.94Å; F324-F372 HydrophobicContact CE1-CE2 3.94Å; F324-F372 AromaticContact CE1-CZ 3.66Å; F324-F372 HydrophobicContact CE1-CZ 3.66Å
325L85.7Confident80.8Confident3 Ų374 Ų742%0.01641%0.414CS..Hα-helixtrans-62.3-43.4171.8-68.3173.2000110.7W313 V320 S321 A322 T328 F329 I338 A348 I350 F372W313-L325 HydrophobicContact CE3-CD2 4.3Å; W313-L325 HydrophobicContact CH2-CD1 3.69Å; W313-L325 HydrophobicContact CH2-CD2 4.43Å; W313-L325 HydrophobicContact CZ2-CD1 4.5Å; W313-L325 HydrophobicContact CZ3-CD1 3.92Å; W313-L325 HydrophobicContact CZ3-CD2 3.98Å; V320-L325 HydrophobicContact CG1-CD1 4.29Å; V320-L325 HydrophobicContact CG1-CD2 3.71Å; V320-L325 HydrophobicContact CG1-CG 3.65Å; S321-L325 PolarHBondContact O-N 3.39Å; A322-L325 PolarHBondContact O-N 3.42Å; L325-T328 PolarHBondContact O-N 3.49Å; L325-F329 HydrophobicContact CD2-CD2 4.43Å; L325-F329 HydrophobicContact CD2-CE2 4.06Å; L325-F329 WeakPolarHBondContact O-CB 3.4Å; L325-F329 VanDerWaalsContact O-CD2 3.3Å; L325-F329 WeakPolarHBondContact O-CD2 3.3Å; L325-F329 PolarHBondContact O-N 3.49Å; L325-I338 HydrophobicContact CB-CD1 4.3Å; L325-I338 HydrophobicContact CB-CG2 4.43Å; L325-I338 HydrophobicContact CD1-CG2 4.07Å; L325-A348 HydrophobicContact CD1-CB 3.78Å; L325-I350 HydrophobicContact CB-CD1 4.38Å; L325-F372 HydrophobicContact CD2-CD1 4.35Å; L325-F372 HydrophobicContact CD2-CE1 3.84Å; L325-F372 HydrophobicContact CD2-CE2 4.36Å; L325-F372 HydrophobicContact CD2-CZ 3.84Å
326R88.2Confident81.1Confident121 Ų12174.8 Ų74.846%0.45741%0.413SS..Hα-helixtrans-58.7-53.6177-144.8170.6-148.4-114.9-0.1110.7A322 D323 F324 T328 F329 E330 I338A322-R326 PolarHBondContact O-N 2.97Å; D323-R326 WeakPolarHBondContact O-CB 3.39Å; D323-R326 PolarHBondContact O-N 3.31Å; F324-R326 VanDerWaalsContact C-N 3.33Å; R326-T328 VanDerWaalsContact C-N 3.32Å; R326-T328 PolarHBondContact O-N 3.3Å; R326-F329 PolarHBondContact O-N 3.25Å; R326-E330 WeakPolarHBondContact O-CB 3.47Å; R326-E330 PolarHBondContact O-N 3.25Å; R326-I338 HydrophobicContact CB-CD1 3.8Å; R326-I338 HydrophobicContact CG-CD1 3.81Å
327F86.7Confident81.6Confident156 Ų15670.4 Ų70.468%0.68439%0.392SS*.Hα-helixtrans-57.5-41.8177.9-178.8-101000113D323D323-F327 WeakPolarHBondContact O-CB 3.1Å; D323-F327 PolarHBondContact O-N 3.37Å
328T86.4Confident82.4Confident13 Ų1369.5 Ų69.58%0.0838%0.38CS..Hα-helixtrans-72.8-38-178.6-51.40000112.4F324 L325 R326 Q331 I370 F372F324-T328 WeakPolarHBondContact O-CB 3.32Å; F324-T328 PolarHBondContact O-N 3.41Å; F324-T328 PolarHBondContact O-OG1 3.27Å; L325-T328 PolarHBondContact O-N 3.49Å; R326-T328 VanDerWaalsContact C-N 3.32Å; R326-T328 PolarHBondContact O-N 3.3Å; T328-Q331 VanDerWaalsContact O-CG 3.31Å; T328-Q331 WeakPolarHBondContact O-CG 3.46Å; T328-Q331 PolarHBondContact O-NE2 2.95Å; T328-I370 HydrophobicContact CG2-CB 4.38Å; T328-I370 HydrophobicContact CG2-CG2 3.67Å; T328-F372 HydrophobicContact CG2-CD2 4.15Å; T328-F372 HydrophobicContact CG2-CE2 3.89Å
329F88.4Confident83.5Confident0 Ų070.2 Ų70.20%037%0.37CS..Hα-helixtrans-90.8-18.7-175.5-77-78.4000114.1V311 L325 R326 Q331 F332 T335 I350 F352 A361 I370 F372 V374V311-F329 HydrophobicContact CB-CE2 4.46Å; V311-F329 HydrophobicContact CB-CZ 4.34Å; V311-F329 HydrophobicContact CG1-CE2 3.75Å; V311-F329 HydrophobicContact CG1-CZ 3.59Å; V311-F329 HydrophobicContact CG2-CE1 4.33Å; V311-F329 HydrophobicContact CG2-CE2 3.98Å; V311-F329 HydrophobicContact CG2-CZ 3.73Å; L325-F329 HydrophobicContact CD2-CD2 4.43Å; L325-F329 HydrophobicContact CD2-CE2 4.06Å; L325-F329 WeakPolarHBondContact O-CB 3.4Å; L325-F329 VanDerWaalsContact O-CD2 3.3Å; L325-F329 WeakPolarHBondContact O-CD2 3.3Å; L325-F329 PolarHBondContact O-N 3.49Å; R326-F329 PolarHBondContact O-N 3.25Å; F329-Q331 PolarHBondContact O-N 3.29Å; F329-F332 AromaticContact CD1-CD2 3.96Å; F329-F332 HydrophobicContact CD1-CD2 3.96Å; F329-F332 HydrophobicContact CD1-CE2 4.21Å; F329-F332 PolarHBondContact O-N 3.27Å; F329-T335 HydrophobicContact CB-CG2 4.19Å; F329-I350 HydrophobicContact CB-CD1 4.29Å; F329-I350 HydrophobicContact CD2-CD1 3.38Å; F329-I350 HydrophobicContact CE2-CD1 3.79Å; F329-I350 HydrophobicContact CG-CD1 3.8Å; F329-I350 HydrophobicContact CZ-CD1 4.47Å; F329-F352 HydrophobicContact CB-CE1 4.33Å; F329-F352 HydrophobicContact CB-CZ 3.94Å; F329-F352 AromaticContact CD1-CZ 3.84Å; F329-F352 HydrophobicContact CD1-CZ 3.84Å; F329-F352 HydrophobicContact CG-CZ 4.24Å; F329-A361 HydrophobicContact CD1-CB 3.83Å; F329-A361 HydrophobicContact CE1-CB 3.96Å; F329-I370 HydrophobicContact CE1-CD1 3.69Å; F329-I370 HydrophobicContact CZ-CD1 3.87Å; F329-F372 AromaticContact CE2-CD2 3.97Å; F329-F372 HydrophobicContact CE2-CD2 3.97Å; F329-F372 HydrophobicContact CE2-CE2 4.45Å; F329-F372 HydrophobicContact CE2-CG 4.28Å; F329-F372 HydrophobicContact CZ-CB 4.16Å; F329-F372 HydrophobicContact CZ-CD2 4.19Å; F329-F372 HydrophobicContact CZ-CG 4.32Å; F329-V374 HydrophobicContact CE1-CG2 3.86Å; F329-V374 HydrophobicContact CZ-CG2 3.75Å
330E88.2Confident84.3Confident115 Ų11568.6 Ų68.654%0.53736%0.356SS..Hα-helixtrans-62.8-24.9175.6-171.1163.7-160.700112.5R326 F332 G333R326-E330 WeakPolarHBondContact O-CB 3.47Å; R326-E330 PolarHBondContact O-N 3.25Å; E330-F332 PolarHBondContact O-N 3.25Å; E330-G333 WeakPolarHBondContact CA-O 3.33Å; E330-G333 PolarHBondContact O-N 3.09Å; E330-G333 VanDerWaalsContact O-N 3.17Å
331Q88.2Confident84.6Confident132 Ų13269.4 Ų69.462%0.61736%0.363SS*.THydrogen-bonded Turntrans-63-21172.981.5-174.4-69.500113.8T328 F329T328-Q331 VanDerWaalsContact O-CG 3.31Å; T328-Q331 WeakPolarHBondContact O-CG 3.46Å; T328-Q331 PolarHBondContact O-NE2 2.95Å; F329-Q331 PolarHBondContact O-N 3.29Å
332F86.1Confident84.5Confident38 Ų3873.2 Ų73.217%0.16739%0.39CS..THydrogen-bonded Turntrans-97.2-15178.2-51.8-65.7000112.8F329 E330 S357 A360 A361 A364 I370F329-F332 AromaticContact CD1-CD2 3.96Å; F329-F332 HydrophobicContact CD1-CD2 3.96Å; F329-F332 HydrophobicContact CD1-CE2 4.21Å; F329-F332 PolarHBondContact O-N 3.27Å; E330-F332 PolarHBondContact O-N 3.25Å; F332-S357 WeakPolarHBondContact O-CA 3.48Å; F332-S357 VanDerWaalsContact O-CB 3.32Å; F332-S357 WeakPolarHBondContact O-CB 3.37Å; F332-A360 HydrophobicContact CB-CB 4.34Å; F332-A360 HydrophobicContact CD1-CB 4.47Å; F332-A361 HydrophobicContact CB-CB 4.23Å; F332-A361 HydrophobicContact CD2-CB 3.91Å; F332-A361 HydrophobicContact CG-CB 4.13Å; F332-A364 HydrophobicContact CD1-CB 4.13Å; F332-A364 HydrophobicContact CE1-CB 3.21Å; F332-A364 HydrophobicContact CE2-CB 4.22Å; F332-A364 HydrophobicContact CZ-CB 3.27Å; F332-I370 HydrophobicContact CE2-CD1 4.03Å; F332-I370 HydrophobicContact CE2-CG2 4.1Å; F332-I370 HydrophobicContact CZ-CD1 4.33Å; F332-I370 HydrophobicContact CZ-CG2 3.94Å
333G85.6Confident84.2Confident20 Ų2076.2 Ų76.221%0.20641%0.408CS..SBendtrans147.8175.8177.500000113.5E330 T335E330-G333 WeakPolarHBondContact CA-O 3.33Å; E330-G333 PolarHBondContact O-N 3.09Å; E330-G333 VanDerWaalsContact O-N 3.17Å; G333-T335 PolarHBondContact O-N 3.19Å
334E86.9Confident83.8Confident104 Ų10476.8 Ų76.849%0.48641%0.405SS..  trans-65.6124.4-176.1-168.4176.3-173.500112.2R353E334-R353 HydrophobicContact CB-CB 4.18Å; E334-R353 PolarHBondContact O-N 3.24Å; E334-R353 WeakPolarHBondContact OE2-CD 3.31Å; E334-R353 IonicContact OE2-CZ 3.65Å; E334-R353 IonicContact OE2-NE 3.77Å; E334-R353 IonicContact OE2-NH1 2.76Å; E334-R353 PolarHBondContact OE2-NH1 3.33Å
335T81.3Confident83.5Confident10 Ų1081.5 Ų81.56%0.06143%0.425CS..EExtended strand (participates in β ladder)trans-98120.4177.241.40000110.9F329 G333 I350 E351 F352F329-T335 HydrophobicContact CB-CG2 4.19Å; G333-T335 PolarHBondContact O-N 3.19Å; T335-I350 HydrophobicContact CG2-CG2 3.39Å; T335-E351 CarbonylContact C-O 3.59Å; T335-F352 HydrophobicContact CG2-CD1 3.8Å; T335-F352 HydrophobicContact CG2-CE1 3.53Å; T335-F352 HydrophobicContact CG2-CG 4.43Å; T335-F352 HydrophobicContact CG2-CZ 3.94Å
336L82.2Confident83.3Confident91 Ų9181.9 Ų81.948%0.47643%0.43SS..EExtended strand (participates in β ladder)trans-77.6-55.4-178.8-72.6170.2000111.3E351 R353L336-E351 HydrophobicContact CB-CB 4.41Å; L336-E351 HydrophobicContact CB-CG 4.21Å; L336-E351 HydrophobicContact CD1-CG 4.16Å; L336-E351 PolarHBondContact N-O 3.31Å; L336-R353 HydrophobicContact CG-CB 4.44Å
337T84.4Confident83.3Confident59 Ų5976.6 Ų76.636%0.36241%0.411SS..EExtended strand (participates in β ladder)trans-137.4129.9-173.9-43.60000110.1L339 I350 E351T337-L339 HydrophobicContact CG2-CD1 4.03Å; T337-L339 HydrophobicContact CG2-CG 3.9Å; T337-I350 WeakPolarHBondContact O-CA 3.36Å; T337-E351 PolarHBondContact O-N 3.49Å; T337-E351 PolarHBondContact OG1-OE2 2.74Å; T337-E351 VanDerWaalsContact OG1-OE2 3.13Å
338I85.2Confident83.4Confident32 Ų3269.1 Ų69.116%0.16438%0.378CS..EExtended strand (participates in β ladder)trans-115.3112.6170.8-59.8177.8000107.5L325 R326 P340 I350L325-I338 HydrophobicContact CB-CD1 4.3Å; L325-I338 HydrophobicContact CB-CG2 4.43Å; L325-I338 HydrophobicContact CD1-CG2 4.07Å; R326-I338 HydrophobicContact CB-CD1 3.8Å; R326-I338 HydrophobicContact CG-CD1 3.81Å; I338-P340 WeakPolarHBondContact O-CD 3.45Å; I338-I350 HydrophobicContact CG1-CD1 4.47Å; I338-I350 HydrophobicContact CG1-CG1 4.14Å; I338-I350 HydrophobicContact CG1-CG2 4.15Å; I338-I350 HydrophobicContact CG2-CG1 4.21Å
339L84.7Confident83.5Confident109 Ų10970.9 Ų70.957%0.57139%0.389SS*.EExtended strand (participates in β ladder)trans-111.897.8-179.6-76.4161.3000109.7T337 A348 V349T337-L339 HydrophobicContact CG2-CD1 4.03Å; T337-L339 HydrophobicContact CG2-CG 3.9Å; L339-A348 CarbonylContact O-C 3.6Å; L339-A348 WeakPolarHBondContact O-CA 3.19Å; L339-V349 PolarHBondContact N-O 2.71Å; L339-V349 PolarHBondContact O-N 2.92Å
340P83Confident83.4Confident86 Ų8670.9 Ų70.956%0.55839%0.389SS*.EExtended strand (participates in β ladder)trans-62.1138.5168.523-28.8000110.6I338 S342I338-P340 WeakPolarHBondContact O-CD 3.45Å; P340-S342 PolarHBondContact O-N 3.15Å
341S79Confident83.4Confident48 Ų4868.3 Ų68.334%0.33638%0.377SS..  trans-74.9115.8-177.2179.30000111S343 K344 T347S341-S343 PolarHBondContact O-N 3.35Å; S341-S343 PolarHBondContact OG-N 3.25Å; S341-K344 PolarHBondContact OG-N 3.24Å; S341-T347 VanDerWaalsContact CB-O 3.31Å; S341-T347 WeakPolarHBondContact CB-O 3.23Å; S341-T347 PolarHBondContact N-O 3.19Å
342S75Confident83.4Confident135 Ų13562 Ų6294%0.94435%0.348SS*.SBendtrans-65.8-18.8172.7-175.90000113.3P340P340-S342 PolarHBondContact O-N 3.15Å
343S73.4Confident83.4Confident112 Ų11266.9 Ų66.978%0.78337%0.365SS*.SBendtrans-97.1-24.9-174-173.60000113.4S341S341-S343 PolarHBondContact O-N 3.35Å; S341-S343 PolarHBondContact OG-N 3.25Å
344K76.6Confident83.3Confident133 Ų13369.9 Ų69.958%0.57838%0.376SS*.SBendtrans-136109.4-179.4-68.7-172.8-178.6-174.60110.3S341 T347S341-K344 PolarHBondContact OG-N 3.24Å; K344-T347 WeakPolarHBondContact CB-OG1 3.19Å; K344-T347 PolarHBondContact O-N 3.28Å; K344-T347 PolarHBondContact O-OG1 3.3Å
345K78.9Confident83.3Confident194 Ų19469.7 Ų69.784%0.84337%0.374SS*.THydrogen-bonded Turntrans-56.7139.1170.3-70.6-174.8177.4-176.90109.5P315P315-K345 HydrophobicContact CB-CB 4.32Å
346G82.2Confident83.6Confident11 Ų1179.5 Ų79.511%0.11341%0.41CS..THydrogen-bonded Turntrans84.117.9-176.800000115.1Q312 W313Q312-G346 CarbonylContact C-O 3.57Å; Q312-G346 VanDerWaalsContact CA-O 3.26Å; Q312-G346 WeakPolarHBondContact CA-O 3.46Å; W313-G346 PolarHBondContact N-O 3.24Å
347T87.2Confident83.9Confident10 Ų1075.9 Ų75.96%0.06139%0.392CS..EExtended strand (participates in β ladder)trans-133.7138.1176.5-0.80000111.9K310 V311 Q312 S341 K344K310-T347 HydrophobicContact CG-CG2 4.32Å; V311-T347 CarbonylContact O-C 3.58Å; V311-T347 WeakPolarHBondContact O-CA 3.23Å; V311-T347 WeakPolarHBondContact O-CG2 3.19Å; Q312-T347 HydrophobicContact CB-CG2 4.21Å; Q312-T347 HydrophobicContact CG-CG2 3.56Å; S341-T347 VanDerWaalsContact CB-O 3.31Å; S341-T347 WeakPolarHBondContact CB-O 3.23Å; S341-T347 PolarHBondContact N-O 3.19Å; K344-T347 WeakPolarHBondContact CB-OG1 3.19Å; K344-T347 PolarHBondContact O-N 3.28Å; K344-T347 PolarHBondContact O-OG1 3.3Å
348A88.1Confident83.9Confident0 Ų073.1 Ų73.10%038%0.375CS..EExtended strand (participates in β ladder)trans-137158.2167.100000110.9K310 V311 W313 L325 L339K310-A348 CarbonylContact C-O 3.6Å; V311-A348 PolarHBondContact N-O 3.47Å; V311-A348 PolarHBondContact O-N 3.07Å; W313-A348 HydrophobicContact CH2-CB 3.68Å; W313-A348 HydrophobicContact CZ3-CB 3.81Å; L325-A348 HydrophobicContact CD1-CB 3.78Å; L339-A348 CarbonylContact O-C 3.6Å; L339-A348 WeakPolarHBondContact O-CA 3.19Å
349V88.8Confident84Confident49 Ų4973.8 Ų73.830%0.29738%0.381SS..EExtended strand (participates in β ladder)trans-111.9122.3171.8-179.20000107.5V308 V309 L339 L377V308-V349 HydrophobicContact CG1-CG1 3.13Å; V309-V349 CarbonylContact O-C 3.54Å; V309-V349 WeakPolarHBondContact O-CA 3.47Å; L339-V349 PolarHBondContact N-O 2.71Å; L339-V349 PolarHBondContact O-N 2.92Å; V349-L377 HydrophobicContact CG1-CD1 4.11Å
350I87.7Confident84.2Confident0 Ų070.6 Ų70.60%037%0.37CS..EExtended strand (participates in β ladder)trans-113.2122.7-178.7-57-173000108.4V308 V309 V311 L325 F329 T335 T337 I338 F352V308-I350 CarbonylContact C-O 3.56Å; V309-I350 PolarHBondContact N-O 2.96Å; V309-I350 PolarHBondContact O-N 3.1Å; V311-I350 HydrophobicContact CG2-CB 4.44Å; V311-I350 HydrophobicContact CG2-CD1 3.58Å; V311-I350 HydrophobicContact CG2-CG1 3.82Å; L325-I350 HydrophobicContact CB-CD1 4.38Å; F329-I350 HydrophobicContact CB-CD1 4.29Å; F329-I350 HydrophobicContact CD2-CD1 3.38Å; F329-I350 HydrophobicContact CE2-CD1 3.79Å; F329-I350 HydrophobicContact CG-CD1 3.8Å; F329-I350 HydrophobicContact CZ-CD1 4.47Å; T335-I350 HydrophobicContact CG2-CG2 3.39Å; T337-I350 WeakPolarHBondContact O-CA 3.36Å; I338-I350 HydrophobicContact CG1-CD1 4.47Å; I338-I350 HydrophobicContact CG1-CG1 4.14Å; I338-I350 HydrophobicContact CG1-CG2 4.15Å; I338-I350 HydrophobicContact CG2-CG1 4.21Å; I350-F352 HydrophobicContact CB-CE2 4.39Å; I350-F352 HydrophobicContact CG2-CD2 4.18Å; I350-F352 HydrophobicContact CG2-CE2 3.77Å; I350-F352 HydrophobicContact CG2-CZ 4.11Å
351E88.2Confident84.4Confident62 Ų6266.5 Ų66.529%0.2934%0.343SS..EExtended strand (participates in β ladder)trans-95.8121.4172-176.1176.4-153.900109.2V308 T335 L336 T337V308-E351 HydrophobicContact CG2-CB 4.36Å; V308-E351 HydrophobicContact CG2-CG 4.14Å; T335-E351 CarbonylContact C-O 3.59Å; L336-E351 HydrophobicContact CB-CB 4.41Å; L336-E351 HydrophobicContact CB-CG 4.21Å; L336-E351 HydrophobicContact CD1-CG 4.16Å; L336-E351 PolarHBondContact N-O 3.31Å; T337-E351 PolarHBondContact O-N 3.49Å; T337-E351 PolarHBondContact OG1-OE2 2.74Å; T337-E351 VanDerWaalsContact OG1-OE2 3.13Å
352F86.7Confident84.8Confident0 Ų067.4 Ų67.40%034%0.341CS..EExtended strand (participates in β ladder)trans-90.8156.5171.9-72.6-90.9000110.7N307 V309 F329 T335 I350 D354 A358 A361N307-F352 WeakPolarHBondContact CB-O 3.23Å; N307-F352 PolarHBondContact O-N 2.88Å; V309-F352 HydrophobicContact CB-CE2 4.36Å; V309-F352 HydrophobicContact CG2-CD2 3.51Å; V309-F352 HydrophobicContact CG2-CE2 3.51Å; F329-F352 HydrophobicContact CB-CE1 4.33Å; F329-F352 HydrophobicContact CB-CZ 3.94Å; F329-F352 AromaticContact CD1-CZ 3.84Å; F329-F352 HydrophobicContact CD1-CZ 3.84Å; F329-F352 HydrophobicContact CG-CZ 4.24Å; T335-F352 HydrophobicContact CG2-CD1 3.8Å; T335-F352 HydrophobicContact CG2-CE1 3.53Å; T335-F352 HydrophobicContact CG2-CG 4.43Å; T335-F352 HydrophobicContact CG2-CZ 3.94Å; I350-F352 HydrophobicContact CB-CE2 4.39Å; I350-F352 HydrophobicContact CG2-CD2 4.18Å; I350-F352 HydrophobicContact CG2-CE2 3.77Å; I350-F352 HydrophobicContact CG2-CZ 4.11Å; F352-D354 VanDerWaalsContact C-N 3.35Å; F352-A358 HydrophobicContact CB-CB 4.26Å; F352-A358 HydrophobicContact CD2-CB 3.84Å; F352-A358 HydrophobicContact CG-CB 4.27Å; F352-A361 HydrophobicContact CE2-CB 4.07Å; F352-A361 HydrophobicContact CZ-CB 3.75Å
353R86.2Confident85.4Confident139 Ų13963.5 Ų63.553%0.52531%0.314SS..SBendtrans-61.9-43.1170.4178.1174.2160.7171.8-1.6112.4N307 E334 L336N307-R353 PolarHBondContact ND2-O 3.11Å; N307-R353 VanDerWaalsContact ND2-O 3.1Å; E334-R353 HydrophobicContact CB-CB 4.18Å; E334-R353 PolarHBondContact O-N 3.24Å; E334-R353 WeakPolarHBondContact OE2-CD 3.31Å; E334-R353 IonicContact OE2-CZ 3.65Å; E334-R353 IonicContact OE2-NE 3.77Å; E334-R353 IonicContact OE2-NH1 2.76Å; E334-R353 PolarHBondContact OE2-NH1 3.33Å; L336-R353 HydrophobicContact CG-CB 4.44Å
354D84.2Confident86.1Confident84 Ų8458.3 Ų58.345%0.44928%0.278SS..SBendtrans-122.4145.8-174.8-65-49.5000112.6F352 R356 S357 A358F352-D354 VanDerWaalsContact C-N 3.35Å; D354-R356 PolarHBondContact O-N 2.88Å; D354-S357 PolarHBondContact O-N 3.32Å; D354-S357 VanDerWaalsContact O-N 3.16Å; D354-A358 PolarHBondContact O-N 2.86Å
355F86Confident86.6Confident99 Ų9952.6 Ų52.643%0.43426%0.255SS..Hα-helixtrans-57.7-32.8173.8177.6-106.3000112.9R306 N307 A358 T359 L376R306-F355 HydrophobicContact CB-CD2 4.05Å; R306-F355 VanDerWaalsContact O-CD2 3.31Å; R306-F355 WeakPolarHBondContact O-CD2 3.42Å; N307-F355 PolarHBondContact OD1-N 2.94Å; F355-A358 PolarHBondContact O-N 3.35Å; F355-T359 WeakPolarHBondContact CE1-OG1 3.35Å; F355-T359 WeakPolarHBondContact O-CB 3.45Å; F355-T359 PolarHBondContact O-N 2.96Å; F355-T359 PolarHBondContact O-OG1 3.33Å; F355-L376 HydrophobicContact CD2-CD2 4.49Å; F355-L376 HydrophobicContact CE2-CD2 4.04Å
356R87.6Confident86.8Confident217 Ų21748.9 Ų48.982%0.81925%0.245SC*.Hα-helixtrans-64.3-40.7178.3-70.9-174.7176.9-158.8-0.3111.7D354 T359 A360D354-R356 PolarHBondContact O-N 2.88Å; R356-T359 PolarHBondContact O-N 3.48Å; R356-A360 WeakPolarHBondContact O-CB 3.4Å; R356-A360 PolarHBondContact O-N 2.92Å
357S88.1Confident87Confident15 Ų1553.7 Ų53.711%0.10526%0.264CS..Hα-helixtrans-67.3-43.3178.6-45.50000111.2F332 D354 T359 A360 A361F332-S357 WeakPolarHBondContact O-CA 3.48Å; F332-S357 VanDerWaalsContact O-CB 3.32Å; F332-S357 WeakPolarHBondContact O-CB 3.37Å; D354-S357 PolarHBondContact O-N 3.32Å; D354-S357 VanDerWaalsContact O-N 3.16Å; S357-T359 VanDerWaalsContact C-N 3.31Å; S357-T359 PolarHBondContact O-N 3.02Å; S357-A360 PolarHBondContact O-N 2.63Å; S357-A361 WeakPolarHBondContact O-CB 3.2Å; S357-A361 PolarHBondContact O-N 3.15Å
358A85.8Confident86.6Confident0 Ų064 Ų640%030%0.302CS..Hα-helixtrans-60-4017300000112.6V309 F352 D354 F355 K362 L376V309-A358 HydrophobicContact CG2-CB 3.51Å; F352-A358 HydrophobicContact CB-CB 4.26Å; F352-A358 HydrophobicContact CD2-CB 3.84Å; F352-A358 HydrophobicContact CG-CB 4.27Å; D354-A358 PolarHBondContact O-N 2.86Å; F355-A358 PolarHBondContact O-N 3.35Å; A358-K362 PolarHBondContact O-N 2.75Å; A358-L376 HydrophobicContact CB-CD2 4.07Å
359T86.8Confident86.2Confident47 Ų4772.8 Ų72.829%0.28834%0.335SS..Hα-helixtrans-70.6-41.6177.1-480000111.8F355 R356 S357 A361 K362 S363F355-T359 WeakPolarHBondContact CE1-OG1 3.35Å; F355-T359 WeakPolarHBondContact O-CB 3.45Å; F355-T359 PolarHBondContact O-N 2.96Å; F355-T359 PolarHBondContact O-OG1 3.33Å; R356-T359 PolarHBondContact O-N 3.48Å; S357-T359 VanDerWaalsContact C-N 3.31Å; S357-T359 PolarHBondContact O-N 3.02Å; T359-A361 VanDerWaalsContact C-N 3.35Å; T359-A361 PolarHBondContact O-N 3.47Å; T359-K362 PolarHBondContact O-N 3.12Å; T359-S363 PolarHBondContact O-N 3.07Å; T359-S363 PolarHBondContact O-OG 3.06Å
360A88.1Confident86Confident41 Ų4171 Ų7134%0.33932%0.324SS..Hα-helixtrans-62.4-40.7176.100000112F332 R356 S357 K362 S363 A364F332-A360 HydrophobicContact CB-CB 4.34Å; F332-A360 HydrophobicContact CD1-CB 4.47Å; R356-A360 WeakPolarHBondContact O-CB 3.4Å; R356-A360 PolarHBondContact O-N 2.92Å; S357-A360 PolarHBondContact O-N 2.63Å; A360-K362 VanDerWaalsContact C-N 3.33Å; A360-K362 PolarHBondContact O-N 2.96Å; A360-S363 PolarHBondContact O-N 3.48Å; A360-A364 WeakPolarHBondContact O-CB 3.34Å; A360-A364 PolarHBondContact O-N 3.4Å
361A87.1Confident85.8Confident0 Ų076 Ų760%036%0.357CS..Hα-helixtrans-61.2-39.9174.300000112.3F329 F332 F352 S357 T359 A365F329-A361 HydrophobicContact CD1-CB 3.83Å; F329-A361 HydrophobicContact CE1-CB 3.96Å; F332-A361 HydrophobicContact CB-CB 4.23Å; F332-A361 HydrophobicContact CD2-CB 3.91Å; F332-A361 HydrophobicContact CG-CB 4.13Å; F352-A361 HydrophobicContact CE2-CB 4.07Å; F352-A361 HydrophobicContact CZ-CB 3.75Å; S357-A361 WeakPolarHBondContact O-CB 3.2Å; S357-A361 PolarHBondContact O-N 3.15Å; T359-A361 VanDerWaalsContact C-N 3.35Å; T359-A361 PolarHBondContact O-N 3.47Å; A361-A365 PolarHBondContact O-N 2.91Å; A361-A365 VanDerWaalsContact O-N 3.13Å
362K88.7Confident85.7Confident67 Ų6773.6 Ų73.629%0.29135%0.345SS..Hα-helixtrans-66.9-46.6173.8-177.4174-179.1177.60111.9A358 T359 A360 A364 A365 D366 V374 L376A358-K362 PolarHBondContact O-N 2.75Å; T359-K362 PolarHBondContact O-N 3.12Å; A360-K362 VanDerWaalsContact C-N 3.33Å; A360-K362 PolarHBondContact O-N 2.96Å; K362-A364 VanDerWaalsContact C-N 3.27Å; K362-A364 PolarHBondContact O-N 3.46Å; K362-A365 WeakPolarHBondContact O-CB 3.38Å; K362-A365 PolarHBondContact O-N 3.33Å; K362-A365 VanDerWaalsContact O-N 3.13Å; K362-D366 PolarHBondContact O-N 3.4Å; K362-V374 HydrophobicContact CB-CG1 4.25Å; K362-L376 HydrophobicContact CB-CD1 3.92Å; K362-L376 HydrophobicContact CD-CB 4.14Å; K362-L376 HydrophobicContact CD-CD1 3.64Å; K362-L376 HydrophobicContact CD-CG 4.32Å; K362-L376 HydrophobicContact CG-CD1 4.41Å
363S87Confident85.6Confident54 Ų5477.3 Ų77.338%0.37837%0.371SS..Hα-helixtrans-59.8-37.5176.8-63.50000112.2T359 A360 D366 E367T359-S363 PolarHBondContact O-N 3.07Å; T359-S363 PolarHBondContact O-OG 3.06Å; A360-S363 PolarHBondContact O-N 3.48Å; S363-D366 PolarHBondContact O-N 3.12Å; S363-E367 WeakPolarHBondContact O-CB 3.09Å; S363-E367 WeakPolarHBondContact O-CG 3.32Å; S363-E367 PolarHBondContact O-N 3.27Å
364A88.4Confident85.6Confident3 Ų371 Ų713%0.02535%0.348CS..Hα-helixtrans-69.1-33175.900000113.6F332 A360 K362 R368 R369 I370F332-A364 HydrophobicContact CD1-CB 4.13Å; F332-A364 HydrophobicContact CE1-CB 3.21Å; F332-A364 HydrophobicContact CE2-CB 4.22Å; F332-A364 HydrophobicContact CZ-CB 3.27Å; A360-A364 WeakPolarHBondContact O-CB 3.34Å; A360-A364 PolarHBondContact O-N 3.4Å; K362-A364 VanDerWaalsContact C-N 3.27Å; K362-A364 PolarHBondContact O-N 3.46Å; A364-R368 PolarHBondContact O-N 3.46Å; A364-R369 HydrophobicContact CB-CB 4.41Å; A364-R369 PolarHBondContact O-N 2.92Å; A364-I370 HydrophobicContact CB-CD1 4.45Å
365A86Confident85.7Confident13 Ų1371.9 Ų71.911%0.10735%0.35CS..Hα-helixtrans-68.3-44.2171.300000111.8A361 K362 E367 R368 I370 F372 V374A361-A365 PolarHBondContact O-N 2.91Å; A361-A365 VanDerWaalsContact O-N 3.13Å; K362-A365 WeakPolarHBondContact O-CB 3.38Å; K362-A365 PolarHBondContact O-N 3.33Å; K362-A365 VanDerWaalsContact O-N 3.13Å; A365-E367 VanDerWaalsContact C-N 3.3Å; A365-E367 PolarHBondContact O-N 3.32Å; A365-R368 PolarHBondContact O-N 2.95Å; A365-I370 HydrophobicContact CB-CD1 4.06Å; A365-I370 HydrophobicContact CB-CG1 4.09Å; A365-F372 WeakPolarHBondContact CB-O 3.41Å; A365-V374 HydrophobicContact CB-CB 3.61Å; A365-V374 HydrophobicContact CB-CG2 3.58Å
366D84.3Confident85.5Confident116 Ų11668 Ų6862%0.6233%0.333SS*.Hα-helixtrans-63.6-35.5177.5-72-21.6000111.4K362 S363 R368K362-D366 PolarHBondContact O-N 3.4Å; S363-D366 PolarHBondContact O-N 3.12Å; D366-R368 PolarHBondContact O-N 2.81Å
367E85.5Confident85Confident112 Ų11260.7 Ų60.752%0.52331%0.31SS..THydrogen-bonded Turntrans-78.33.6173.7-71.5176.3-166.300114.2S363 A365 R369S363-E367 WeakPolarHBondContact O-CB 3.09Å; S363-E367 WeakPolarHBondContact O-CG 3.32Å; S363-E367 PolarHBondContact O-N 3.27Å; A365-E367 VanDerWaalsContact C-N 3.3Å; A365-E367 PolarHBondContact O-N 3.32Å; E367-R369 HydrophobicContact CB-CG 4.49Å; E367-R369 PolarHBondContact O-N 2.99Å; E367-R369 IonicContact OE2-CZ 3.27Å; E367-R369 IonicContact OE2-NE 3.53Å; E367-R369 IonicContact OE2-NH1 3.94Å; E367-R369 PolarHBondContact OE2-NH1 2.85Å; E367-R369 IonicContact OE2-NH2 2.91Å; E367-R369 PolarHBondContact OE2-NH2 3.19Å
368R79.9Confident83.9Confident226 Ų22661.9 Ų61.985%0.85332%0.324SS*.THydrogen-bonded Turntrans55.627.4-175.8-59-173.7-177.5-171.40.9115A364 A365 D366 I370A364-R368 PolarHBondContact O-N 3.46Å; A365-R368 PolarHBondContact O-N 2.95Å; D366-R368 PolarHBondContact O-N 2.81Å; R368-I370 VanDerWaalsContact C-N 3.32Å
369R80.1Confident82.6Confident185 Ų18566.2 Ų66.270%0.69835%0.351SS*.SBendtrans-74.8-22.3173.8-75.1-168-178.2118.512.7113.2A364 E367A364-R369 HydrophobicContact CB-CB 4.41Å; A364-R369 PolarHBondContact O-N 2.92Å; E367-R369 HydrophobicContact CB-CG 4.49Å; E367-R369 PolarHBondContact O-N 2.99Å; E367-R369 IonicContact OE2-CZ 3.27Å; E367-R369 IonicContact OE2-NE 3.53Å; E367-R369 IonicContact OE2-NH1 3.94Å; E367-R369 PolarHBondContact OE2-NH1 2.85Å; E367-R369 IonicContact OE2-NH2 2.91Å; E367-R369 PolarHBondContact OE2-NH2 3.19Å
370I83.5Confident80.9Confident11 Ų1170.8 Ų70.86%0.05637%0.374CS..SBendtrans-12514217851.3175.4000110.2T328 F329 F332 A364 A365 R368 F372 V374T328-I370 HydrophobicContact CG2-CB 4.38Å; T328-I370 HydrophobicContact CG2-CG2 3.67Å; F329-I370 HydrophobicContact CE1-CD1 3.69Å; F329-I370 HydrophobicContact CZ-CD1 3.87Å; F332-I370 HydrophobicContact CE2-CD1 4.03Å; F332-I370 HydrophobicContact CE2-CG2 4.1Å; F332-I370 HydrophobicContact CZ-CD1 4.33Å; F332-I370 HydrophobicContact CZ-CG2 3.94Å; A364-I370 HydrophobicContact CB-CD1 4.45Å; A365-I370 HydrophobicContact CB-CD1 4.06Å; A365-I370 HydrophobicContact CB-CG1 4.09Å; R368-I370 VanDerWaalsContact C-N 3.32Å; I370-F372 HydrophobicContact CB-CD2 4.22Å; I370-F372 HydrophobicContact CD1-CB 4.47Å; I370-F372 PolarHBondContact O-N 3Å; I370-V374 HydrophobicContact CD1-CG2 4.14Å
371P82.9Confident78.6Confident106 Ų10676 Ų7669%0.68840%0.396SS*.SBendtrans-79.538.9-178.635.1-36.9000112.2
372F86.5Confident75.8Confident10 Ų1081.4 Ų81.44%0.04443%0.432CS..SBendtrans-132.2135.6-174.5-65.1-66000110.2V311 W313 V320 F324 L325 T328 F329 A365 I370 V374V311-F372 HydrophobicContact CG1-CB 3.65Å; V311-F372 HydrophobicContact CG1-CD1 3.92Å; V311-F372 HydrophobicContact CG1-CG 3.92Å; W313-F372 HydrophobicContact CB-CD1 3.71Å; W313-F372 HydrophobicContact CB-CE1 3.8Å; W313-F372 HydrophobicContact CD2-CD1 4.3Å; W313-F372 HydrophobicContact CD2-CE1 4.04Å; W313-F372 AromaticContact CE3-CD1 3.96Å; W313-F372 HydrophobicContact CE3-CD1 3.96Å; W313-F372 AromaticContact CE3-CE1 3.99Å; W313-F372 HydrophobicContact CE3-CE1 3.99Å; W313-F372 HydrophobicContact CG-CD1 4.25Å; W313-F372 AromaticContact CG-CE1 3.98Å; W313-F372 HydrophobicContact CG-CE1 3.98Å; V320-F372 HydrophobicContact CG1-CE1 4.11Å; V320-F372 HydrophobicContact CG1-CZ 4.11Å; V320-F372 HydrophobicContact CG2-CE1 4.22Å; V320-F372 HydrophobicContact CG2-CZ 4.39Å; F324-F372 HydrophobicContact CD1-CE2 4.4Å; F324-F372 AromaticContact CD1-CZ 3.9Å; F324-F372 HydrophobicContact CD1-CZ 3.9Å; F324-F372 AromaticContact CE1-CE2 3.94Å; F324-F372 HydrophobicContact CE1-CE2 3.94Å; F324-F372 AromaticContact CE1-CZ 3.66Å; F324-F372 HydrophobicContact CE1-CZ 3.66Å; L325-F372 HydrophobicContact CD2-CD1 4.35Å; L325-F372 HydrophobicContact CD2-CE1 3.84Å; L325-F372 HydrophobicContact CD2-CE2 4.36Å; L325-F372 HydrophobicContact CD2-CZ 3.84Å; T328-F372 HydrophobicContact CG2-CD2 4.15Å; T328-F372 HydrophobicContact CG2-CE2 3.89Å; F329-F372 AromaticContact CE2-CD2 3.97Å; F329-F372 HydrophobicContact CE2-CD2 3.97Å; F329-F372 HydrophobicContact CE2-CE2 4.45Å; F329-F372 HydrophobicContact CE2-CG 4.28Å; F329-F372 HydrophobicContact CZ-CB 4.16Å; F329-F372 HydrophobicContact CZ-CD2 4.19Å; F329-F372 HydrophobicContact CZ-CG 4.32Å; A365-F372 WeakPolarHBondContact CB-O 3.41Å; I370-F372 HydrophobicContact CB-CD2 4.22Å; I370-F372 HydrophobicContact CD1-CB 4.47Å; I370-F372 PolarHBondContact O-N 3Å; F372-V374 HydrophobicContact CB-CG2 4.23Å
373S84.1Confident73.3Confident78 Ų7887.7 Ų87.755%0.54546%0.46SS..EExtended strand (participates in β ladder)trans-85.9126.6168.3-175.70000109.3V311 Q312V311-S373 CarbonylContact C-O 3.59Å; V311-S373 WeakPolarHBondContact CA-O 3.45Å; Q312-S373 PolarHBondContact N-O 3.2Å; Q312-S373 PolarHBondContact O-N 3.4Å
374V87.1Confident70.5Confident8 Ų888.4 Ų88.45%0.04848%0.476CS..EExtended strand (participates in β ladder)trans-125.9120.8-168.1178.40000110.3V309 V311 F329 K362 A365 I370 F372V309-V374 HydrophobicContact CB-CG1 4.24Å; V309-V374 HydrophobicContact CG1-CG1 3.14Å; V311-V374 HydrophobicContact CG1-CG2 4.16Å; V311-V374 HydrophobicContact CG2-CG2 4.42Å; F329-V374 HydrophobicContact CE1-CG2 3.86Å; F329-V374 HydrophobicContact CZ-CG2 3.75Å; K362-V374 HydrophobicContact CB-CG1 4.25Å; A365-V374 HydrophobicContact CB-CB 3.61Å; A365-V374 HydrophobicContact CB-CG2 3.58Å; I370-V374 HydrophobicContact CD1-CG2 4.14Å; F372-V374 HydrophobicContact CB-CG2 4.23Å
375E86.2Confident67.9Low102 Ų10296.7 Ų96.748%0.47752%0.518SS..EExtended strand (participates in β ladder)trans-118.4116.4-178.3-170.5179.7-162.500110.6V309 K310 L377V309-E375 CarbonylContact C-O 3.57Å; V309-E375 WeakPolarHBondContact CG1-O 3.01Å; K310-E375 HydrophobicContact CB-CB 4.46Å; K310-E375 PolarHBondContact N-O 3.43Å; K310-E375 IonicContact NZ-OE2 3.77Å; K310-E375 PolarHBondContact O-N 3.28Å; E375-L377 PolarHBondContact O-N 3.41Å
376L82.4Confident65.4Low17 Ų17101.4 Ų101.49%0.08955%0.55CS.*EExtended strand (participates in β ladder)trans-67.1114.8175.7-107.9148.3000110.5V309 F355 A358 K362 V379V309-L376 HydrophobicContact CG1-CG 4.28Å; F355-L376 HydrophobicContact CD2-CD2 4.49Å; F355-L376 HydrophobicContact CE2-CD2 4.04Å; A358-L376 HydrophobicContact CB-CD2 4.07Å; K362-L376 HydrophobicContact CB-CD1 3.92Å; K362-L376 HydrophobicContact CD-CB 4.14Å; K362-L376 HydrophobicContact CD-CD1 3.64Å; K362-L376 HydrophobicContact CD-CG 4.32Å; K362-L376 HydrophobicContact CG-CD1 4.41Å; L376-V379 HydrophobicContact CB-CG2 4.12Å
377L75.7Confident62.9Low63 Ų63105.1 Ų105.133%0.3356%0.561SS.*EExtended strand (participates in β ladder)trans-80.1128.5172.7-68.6167.5000107.7V308 K310 V349 E375V308-L377 HydrophobicContact CB-CB 4.38Å; V308-L377 HydrophobicContact CG1-CD1 3.93Å; V308-L377 WeakPolarHBondContact O-CB 3.26Å; V308-L377 PolarHBondContact O-N 3.45Å; K310-L377 HydrophobicContact CB-CD1 3.98Å; K310-L377 HydrophobicContact CB-CG 4.12Å; V349-L377 HydrophobicContact CG1-CD1 4.11Å; E375-L377 PolarHBondContact O-N 3.41Å
378G66.8Low60.3Low40 Ų40105.7 Ų105.741%0.41257%0.574SS.*THydrogen-bonded Turntrans106.65.5-178.800000115.5D380G378-D380 PolarHBondContact O-N 3.02Å
379V58Low58.1Low91 Ų91101 Ų10155%0.55257%0.571SS**  trans-86.6103.1158.9-170.40000106.9L376 N381L376-V379 HydrophobicContact CB-CG2 4.12Å; V379-N381 PolarHBondContact O-N 2.9Å
380D50.4Low55.9Low144 Ų14497.4 Ų97.477%0.7757%0.574SS**  trans-64.480.3177.9-69.9-37.1000110.5G378 C382G378-D380 PolarHBondContact O-N 3.02Å; D380-C382 VanDerWaalsContact C-N 3.28Å; D380-C382 PolarHBondContact O-N 3.34Å
381N39.3Very low53.5Low151 Ų151107 Ų10781%0.80761%0.609SS**  trans-86.977.3165-125.7-0.2000107.9V379 K383V379-N381 PolarHBondContact O-N 2.9Å; N381-K383 PolarHBondContact O-N 2.92Å
382C30.1Very low51Low113 Ų113108.6 Ų108.676%0.76462%0.617SS**  trans-71.286.6174.6-70.30000110.4D380D380-C382 VanDerWaalsContact C-N 3.28Å; D380-C382 PolarHBondContact O-N 3.34Å
383K34.8Very low48.5Very low199 Ų199114.6 Ų114.687%0.86565%0.647SS**  trans-135.7101.6158.6-75.1-169.6-179.8178.40110.6N381N381-K383 PolarHBondContact O-N 2.92Å
384G29.3Very low46Very low69 Ų69120.3 Ų120.371%0.71167%0.665SS**  trans40.3101.2147.100000119
385L33.9Very low43.5Very low176 Ų176124.8 Ų124.892%0.92170%0.697SS**  -152.794126.2-139.471.2000109.7K387L385-K387 PolarHBondContact O-N 3.37Å
386S33.2Very low41Very low112 Ų112126.2 Ų126.278%0.78371%0.713SS**  trans-69.3115.5163.341.30000109.2
387K32.1Very low38.8Very low195 Ų195130.5 Ų130.585%0.84874%0.744SS**  trans-160.6104.2148.2-95.1-175.8-171.2179.50108L385L385-K387 PolarHBondContact O-N 3.37Å
388P29.8Very low36.9Very low123 Ų123139 Ų13980%0.79977%0.772SS**  trans-99.2106.6165.132.7-20.6000108
389V33.7Very low35.3Very low129 Ų129142.6 Ų142.678%0.78279%0.791SS**  trans-138115.1167.9178.20000108.9
390S33.5Very low34.5Very low108 Ų108142.7 Ų142.776%0.75579%0.793SS**  trans66.977.4157.3-51.50000117.6T392S390-T392 PolarHBondContact O-N 3.41Å
391R33.3Very low34.5Very low213 Ų213139.7 Ų139.780%0.80478%0.783SS**  trans-82.6100.8154.3-141-179.7-173174.11.2107.7M393R391-M393 HydrophobicContact CG-CG 3.98Å; R391-M393 HydrophobicContact CG-SD 4.43Å; R391-M393 PolarHBondContact O-N 3.32Å; R391-M393 VanDerWaalsContact O-N 3.11Å
392T31Very low35.1Very low139 Ų139140.1 Ų140.185%0.85378%0.781SS**  trans-66.8102.2160-580000106.9S390S390-T392 PolarHBondContact O-N 3.41Å
393M33.9Very low36.7Very low136 Ų136139.5 Ų139.567%0.6777%0.774SS**  trans-124106.8166.3-71.7-165.111200107.2R391R391-M393 HydrophobicContact CG-CG 3.98Å; R391-M393 HydrophobicContact CG-SD 4.43Å; R391-M393 PolarHBondContact O-N 3.32Å; R391-M393 VanDerWaalsContact O-N 3.11Å
394Q32.4Very low38.4Very low198 Ų198135.2 Ų135.293%0.92576%0.756SS**  trans-155.489.2152.4-106.7171.528.500106.5
395S34.4Very low40.6Very low102 Ų102137.4 Ų137.471%0.71375%0.751SS**  trans-147.7141153.169.30000108.3
396T34Very low42.6Very low133 Ų133135.8 Ų135.882%0.81674%0.739SS**  trans78.2127.3173.577.90000114
397S34.6Very low44.7Very low107 Ų107136.8 Ų136.875%0.74873%0.729SS**  cis-174.3117.8-4.642.70000106.4
398R36.9Very low46.9Very low240 Ų240132 Ų13291%0.90671%0.71SS**  trans-153.8114.5154.4-116.7177.2-176.7-178.60.3106.6P400R398-P400 WeakPolarHBondContact O-CD 3.49Å
399S31.9Very low49.6Very low116 Ų116128.8 Ų128.881%0.81169%0.694SS**  trans-51.8116.6-172.648.10000113.4
400P42.5Very low52.1Low93 Ų93125.4 Ų125.460%0.60468%0.68SS**  trans-119.441.7173.833.3-14.1000111.9R398R398-P400 WeakPolarHBondContact O-CD 3.49Å
401S48.9Very low54.4Low81 Ų81124.1 Ų124.157%0.56666%0.664SS**Hα-helixtrans-76.6-29.6-177.447.90000113.8L405S401-L405 WeakPolarHBondContact O-CD1 3.39Å
402E52.6Low56.9Low161 Ų161118.7 Ų118.775%0.75265%0.65SS**Hα-helixtrans-81.6-39.7-175.5-71.9179.3162.600113.3H404 L405 E406E402-H404 PolarHBondContact O-N 2.96Å; E402-L405 PolarHBondContact O-N 3.27Å; E402-E406 PolarHBondContact O-N 3.29Å
403T63.6Low59.7Low100 Ų100114 Ų11461%0.61363%0.625SS**Hα-helixtrans-73.1-28-177.845.70000114F407T403-F407 WeakPolarHBondContact O-CB 3.3Å; T403-F407 PolarHBondContact O-N 2.95Å; T403-F407 VanDerWaalsContact O-N 3.16Å
404H69.9Low62.4Low109 Ų109117 Ų11751%0.50563%0.629SS.*Hα-helixtrans-73.2-39.2176.1-168.8-87.6000112.1E402 F407 E408E402-H404 PolarHBondContact O-N 2.96Å; H404-F407 PolarHBondContact O-N 3.44Å; H404-E408 VanDerWaalsContact CE1-CD 3.48Å; H404-E408 IonicContact CE1-OE1 3.22Å; H404-E408 PolarHBondContact CE1-OE1 3.32Å; H404-E408 VanDerWaalsContact CE1-OE1 3.22Å; H404-E408 IonicContact ND1-OE1 3.76Å; H404-E408 IonicContact ND1-OE2 3.77Å; H404-E408 PolarHBondContact O-N 3.33Å
405L76.7Confident65Low115 Ų115113.5 Ų113.560%0.60261%0.614SS**Hα-helixtrans-67.1-40177.1-92.5154.7000111.9S401 E402 E408 A409S401-L405 WeakPolarHBondContact O-CD1 3.39Å; E402-L405 PolarHBondContact O-N 3.27Å; L405-E408 PolarHBondContact O-N 2.8Å; L405-A409 VanDerWaalsContact O-CB 3.3Å; L405-A409 WeakPolarHBondContact O-CB 3.34Å; L405-A409 PolarHBondContact O-N 2.84Å
406E76.3Confident67.6Low142 Ų142116 Ų11666%0.66461%0.608SS**Hα-helixtrans-65-38.7173.3-73.1-174.916200112.2E402 A409 A410E402-E406 PolarHBondContact O-N 3.29Å; E406-A409 PolarHBondContact O-N 2.87Å; E406-A410 WeakPolarHBondContact O-CB 3.42Å; E406-A410 PolarHBondContact O-N 3.04Å
407F77.1Confident70.4Confident132 Ų132115.6 Ų115.658%0.57960%0.597SS**Hα-helixtrans-66.7-43.5175.9-176.3-101.9000112.2T403 H404 A410 I411T403-F407 WeakPolarHBondContact O-CB 3.3Å; T403-F407 PolarHBondContact O-N 2.95Å; T403-F407 VanDerWaalsContact O-N 3.16Å; H404-F407 PolarHBondContact O-N 3.44Å; F407-A410 PolarHBondContact O-N 3.47Å; F407-I411 HydrophobicContact CD1-CD1 4Å; F407-I411 HydrophobicContact CE1-CD1 3.35Å; F407-I411 HydrophobicContact CE1-CG1 4.27Å; F407-I411 HydrophobicContact CE2-CD1 4.38Å; F407-I411 HydrophobicContact CZ-CD1 3.58Å; F407-I411 HydrophobicContact CZ-CG1 4.32Å; F407-I411 WeakPolarHBondContact O-CG1 3.47Å; F407-I411 PolarHBondContact O-N 2.85Å
408E77.9Confident73Confident94 Ų94113 Ų11344%0.43958%0.581SS.*Hα-helixtrans-62.2-42.5173.1-79.6-175.1154.100111.8H404 L405 A410 I411 L412H404-E408 VanDerWaalsContact CE1-CD 3.48Å; H404-E408 IonicContact CE1-OE1 3.22Å; H404-E408 PolarHBondContact CE1-OE1 3.32Å; H404-E408 VanDerWaalsContact CE1-OE1 3.22Å; H404-E408 IonicContact ND1-OE1 3.76Å; H404-E408 IonicContact ND1-OE2 3.77Å; H404-E408 PolarHBondContact O-N 3.33Å; L405-E408 PolarHBondContact O-N 2.8Å; E408-A410 PolarHBondContact O-N 3.5Å; E408-I411 PolarHBondContact O-N 3.39Å; E408-L412 WeakPolarHBondContact O-CB 3.43Å; E408-L412 WeakPolarHBondContact O-CG 3.41Å; E408-L412 PolarHBondContact O-N 3Å
409A86Confident75.5Confident57 Ų57107.2 Ų107.247%0.47157%0.565SS.*Hα-helixtrans-62.4-41176.200000112.1L405 E406 L412 A413L405-A409 VanDerWaalsContact O-CB 3.3Å; L405-A409 WeakPolarHBondContact O-CB 3.34Å; L405-A409 PolarHBondContact O-N 2.84Å; E406-A409 PolarHBondContact O-N 2.87Å; A409-L412 PolarHBondContact O-N 3.4Å; A409-A413 WeakPolarHBondContact O-CB 3.2Å; A409-A413 PolarHBondContact O-N 2.87Å
410A86Confident78.3Confident58 Ų58107 Ų10748%0.47955%0.551SS.*Hα-helixtrans-65.7-40.1176.600000112.3E406 F407 E408 R414E406-A410 WeakPolarHBondContact O-CB 3.42Å; E406-A410 PolarHBondContact O-N 3.04Å; F407-A410 PolarHBondContact O-N 3.47Å; E408-A410 PolarHBondContact O-N 3.5Å; A410-R414 PolarHBondContact O-N 2.97Å; A410-R414 VanDerWaalsContact O-N 3.11Å
411I81.6Confident80.6Confident81 Ų81112.1 Ų112.142%0.41556%0.559SS.*Hα-helixtrans-65.4-44.1174.9-71.2-173.6000111F407 E408 A413 R414 M415F407-I411 HydrophobicContact CD1-CD1 4Å; F407-I411 HydrophobicContact CE1-CD1 3.35Å; F407-I411 HydrophobicContact CE1-CG1 4.27Å; F407-I411 HydrophobicContact CE2-CD1 4.38Å; F407-I411 HydrophobicContact CZ-CD1 3.58Å; F407-I411 HydrophobicContact CZ-CG1 4.32Å; F407-I411 WeakPolarHBondContact O-CG1 3.47Å; F407-I411 PolarHBondContact O-N 2.85Å; E408-I411 PolarHBondContact O-N 3.39Å; I411-A413 PolarHBondContact O-N 3.4Å; I411-R414 PolarHBondContact O-N 3.21Å; I411-M415 PolarHBondContact O-N 3.25Å
412L86.8Confident82.4Confident98 Ų98115.9 Ų115.951%0.51356%0.564SS.*Hα-helixtrans-64.5-38.6178.6-72.8172.5000112.3E408 A409 M415 R416E408-L412 WeakPolarHBondContact O-CB 3.43Å; E408-L412 WeakPolarHBondContact O-CG 3.41Å; E408-L412 PolarHBondContact O-N 3Å; A409-L412 PolarHBondContact O-N 3.4Å; L412-M415 PolarHBondContact O-N 3.39Å; L412-R416 PolarHBondContact O-N 3.36Å
413A90.5Very high84.2Confident41 Ų41114.3 Ų114.334%0.33956%0.557SS.*Hα-helixtrans-61.1-44.9173.500000111.3A409 I411 M415 R416 E417A409-A413 WeakPolarHBondContact O-CB 3.2Å; A409-A413 PolarHBondContact O-N 2.87Å; I411-A413 PolarHBondContact O-N 3.4Å; A413-M415 VanDerWaalsContact C-N 3.34Å; A413-M415 PolarHBondContact O-N 3.5Å; A413-R416 PolarHBondContact O-N 3.24Å; A413-E417 PolarHBondContact O-N 3.05Å
414R90.6Very high85.4Confident199 Ų199114.8 Ų114.875%0.75156%0.556SS**Hα-helixtrans-66-34.1179.2-143.5174.8-169.5170.52.9113.1A410 I411 A418A410-R414 PolarHBondContact O-N 2.97Å; A410-R414 VanDerWaalsContact O-N 3.11Å; I411-R414 PolarHBondContact O-N 3.21Å; R414-A418 WeakPolarHBondContact O-CB 3.42Å; R414-A418 PolarHBondContact O-N 3.03Å
415M85.6Confident86.1Confident124 Ų124116 Ų11661%0.61156%0.56SS**Hα-helixtrans-68.6-39.8172.6-74.7-132.5-69.900112.2I411 L412 A413 A418 E419I411-M415 PolarHBondContact O-N 3.25Å; L412-M415 PolarHBondContact O-N 3.39Å; A413-M415 VanDerWaalsContact C-N 3.34Å; A413-M415 PolarHBondContact O-N 3.5Å; M415-A418 PolarHBondContact O-N 3.31Å; M415-E419 PolarHBondContact O-N 3.17Å
416R90.1Very high86.3Confident156 Ų156116.3 Ų116.359%0.58956%0.558SS**Hα-helixtrans-64.3-45.7178.4-142.6-176-62.8150.8-0.2111.6L412 A413 A418 E419 E420L412-R416 PolarHBondContact O-N 3.36Å; A413-R416 PolarHBondContact O-N 3.24Å; R416-A418 VanDerWaalsContact C-N 3.3Å; R416-A418 PolarHBondContact O-N 2.98Å; R416-E419 PolarHBondContact O-N 3.19Å; R416-E420 WeakPolarHBondContact O-CG 3.45Å; R416-E420 PolarHBondContact O-N 3.24Å
417E91.4Very high86.7Confident124 Ų124111.4 Ų111.458%0.57954%0.539SS*.Hα-helixtrans-60.3-38.9174.5-73.2178.1-176.400112.4A413 E419 R421A413-E417 PolarHBondContact O-N 3.05Å; E417-E419 VanDerWaalsContact C-N 3.35Å; E417-R421 WeakPolarHBondContact O-CB 3.19Å; E417-R421 PolarHBondContact O-N 2.96Å
418A90.2Very high87Confident51 Ų51108.3 Ų108.342%0.42153%0.531SS..Hα-helixtrans-67.3-36.1177.100000112.2R414 M415 R416 K422R414-A418 WeakPolarHBondContact O-CB 3.42Å; R414-A418 PolarHBondContact O-N 3.03Å; M415-A418 PolarHBondContact O-N 3.31Å; R416-A418 VanDerWaalsContact C-N 3.3Å; R416-A418 PolarHBondContact O-N 2.98Å; A418-K422 WeakPolarHBondContact O-CG 3.34Å; A418-K422 PolarHBondContact O-N 3.21Å
419E89.1Confident87.1Confident119 Ų119107.8 Ų107.856%0.55653%0.529SS*.Hα-helixtrans-71.5-42.8177-162.8169.1-155.200111.8M415 R416 E417 R421 K422 Q423M415-E419 PolarHBondContact O-N 3.17Å; R416-E419 PolarHBondContact O-N 3.19Å; E417-E419 VanDerWaalsContact C-N 3.35Å; E419-R421 VanDerWaalsContact C-N 3.28Å; E419-R421 PolarHBondContact O-N 3.47Å; E419-K422 WeakPolarHBondContact O-CB 3.2Å; E419-K422 PolarHBondContact O-N 2.94Å; E419-K422 VanDerWaalsContact O-N 3.1Å; E419-Q423 WeakPolarHBondContact O-CG 3.24Å; E419-Q423 PolarHBondContact O-N 2.93Å
420E91.5Very high86.8Confident113 Ų113109 Ų10953%0.52853%0.528SS..Hα-helixtrans-58.8-40.1172.4-74.1176.5-177.600111.6R416 K422 Q423 L424R416-E420 WeakPolarHBondContact O-CG 3.45Å; R416-E420 PolarHBondContact O-N 3.24Å; E420-K422 VanDerWaalsContact C-N 3.34Å; E420-K422 PolarHBondContact O-N 3.48Å; E420-Q423 PolarHBondContact O-N 2.92Å; E420-L424 WeakPolarHBondContact O-CB 3.33Å; E420-L424 PolarHBondContact O-N 3.08Å
421R89.6Confident86.5Confident200 Ų200115.1 Ų115.176%0.75554%0.539SS*.Hα-helixtrans-62-39.5174.7-120.1180176.2137-1.3112.7E417 E419 F425E417-R421 WeakPolarHBondContact O-CB 3.19Å; E417-R421 PolarHBondContact O-N 2.96Å; E419-R421 VanDerWaalsContact C-N 3.28Å; E419-R421 PolarHBondContact O-N 3.47Å; R421-F425 WeakPolarHBondContact O-CB 3.41Å; R421-F425 PolarHBondContact O-N 2.96Å
422K88.1Confident86.1Confident159 Ų159118.3 Ų118.369%0.69155%0.552SS**Hα-helixtrans-67.2-42.3176.1-73.4-178.8-179.4-175.60111.4A418 E419 E420 F425 H426A418-K422 WeakPolarHBondContact O-CG 3.34Å; A418-K422 PolarHBondContact O-N 3.21Å; E419-K422 WeakPolarHBondContact O-CB 3.2Å; E419-K422 PolarHBondContact O-N 2.94Å; E419-K422 VanDerWaalsContact O-N 3.1Å; E420-K422 VanDerWaalsContact C-N 3.34Å; E420-K422 PolarHBondContact O-N 3.48Å; K422-F425 PolarHBondContact O-N 3.19Å; K422-H426 WeakPolarHBondContact O-CB 3.36Å; K422-H426 PolarHBondContact O-N 3.46Å
423Q89.1Confident85.3Confident128 Ų128120.1 Ų120.160%0.59856%0.562SS**Hα-helixtrans-64.9-42177.1-69.4-178.410.800111.9E419 E420 H426 S427E419-Q423 WeakPolarHBondContact O-CG 3.24Å; E419-Q423 PolarHBondContact O-N 2.93Å; E420-Q423 PolarHBondContact O-N 2.92Å; Q423-H426 PolarHBondContact O-N 2.85Å; Q423-S427 WeakPolarHBondContact O-CB 3.49Å; Q423-S427 PolarHBondContact O-N 3.41Å
424L89.7Confident84.2Confident111 Ų111127 Ų12758%0.58159%0.588SS**Hα-helixtrans-59.5-47.8173.8-91.6165.5000111.3E420 H426 S427 T428E420-L424 WeakPolarHBondContact O-CB 3.33Å; E420-L424 PolarHBondContact O-N 3.08Å; L424-H426 VanDerWaalsContact C-N 3.34Å; L424-H426 PolarHBondContact O-N 3.42Å; L424-S427 PolarHBondContact O-N 3.2Å; L424-S427 PolarHBondContact O-OG 2.56Å; L424-T428 WeakPolarHBondContact O-CG2 3.47Å; L424-T428 PolarHBondContact O-N 2.93Å; L424-T428 PolarHBondContact O-OG1 3.42Å
425F84.6Confident82.7Confident135 Ų135123.4 Ų123.459%0.59261%0.612SS**Hα-helixtrans-59.6-43.8177.6-173-100.3000112.1R421 K422 T428 M429R421-F425 WeakPolarHBondContact O-CB 3.41Å; R421-F425 PolarHBondContact O-N 2.96Å; K422-F425 PolarHBondContact O-N 3.19Å; F425-T428 VanDerWaalsContact CA-OG1 3.32Å; F425-T428 WeakPolarHBondContact CA-OG1 3.38Å; F425-T428 PolarHBondContact O-N 3.04Å; F425-T428 PolarHBondContact O-OG1 3.38Å; F425-M429 HydrophobicContact CD1-CG 4.4Å; F425-M429 HydrophobicContact CD1-SD 4.11Å; F425-M429 HydrophobicContact CE1-CG 4.04Å; F425-M429 HydrophobicContact CE1-SD 3.37Å; F425-M429 WeakPolarHBondContact CE1-SD 2.93Å; F425-M429 HydrophobicContact CZ-CG 4.24Å; F425-M429 HydrophobicContact CZ-SD 3.82Å; F425-M429 PolarHBondContact O-N 3.34Å
426H81.4Confident82.5Confident120 Ų120123.4 Ų123.456%0.55661%0.612SS**Hα-helixtrans-61.8-46.8176.8-156.142.1000111.4K422 Q423 L424 T428 M429 D430K422-H426 WeakPolarHBondContact O-CB 3.36Å; K422-H426 PolarHBondContact O-N 3.46Å; Q423-H426 PolarHBondContact O-N 2.85Å; L424-H426 VanDerWaalsContact C-N 3.34Å; L424-H426 PolarHBondContact O-N 3.42Å; H426-T428 VanDerWaalsContact C-N 3.26Å; H426-T428 PolarHBondContact O-N 2.91Å; H426-M429 PolarHBondContact O-N 3.29Å; H426-M429 VanDerWaalsContact O-N 3.1Å; H426-D430 PolarHBondContact O-N 2.85Å
427S84Confident82.1Confident39 Ų39121.7 Ų121.727%0.27361%0.614SS.*Hα-helixtrans-64.3-27.7177.378.60000114Q423 L424 R431Q423-S427 WeakPolarHBondContact O-CB 3.49Å; Q423-S427 PolarHBondContact O-N 3.41Å; L424-S427 PolarHBondContact O-N 3.2Å; L424-S427 PolarHBondContact O-OG 2.56Å; S427-R431 WeakPolarHBondContact O-CG 3.27Å; S427-R431 PolarHBondContact O-N 3.14Å
428T83.5Confident81.6Confident67 Ų67121.6 Ų121.641%0.41162%0.615SS.*Hα-helixtrans-77.8-32.417549.40000112.3L424 F425 H426 Q432L424-T428 WeakPolarHBondContact O-CG2 3.47Å; L424-T428 PolarHBondContact O-N 2.93Å; L424-T428 PolarHBondContact O-OG1 3.42Å; F425-T428 VanDerWaalsContact CA-OG1 3.32Å; F425-T428 WeakPolarHBondContact CA-OG1 3.38Å; F425-T428 PolarHBondContact O-N 3.04Å; F425-T428 PolarHBondContact O-OG1 3.38Å; H426-T428 VanDerWaalsContact C-N 3.26Å; H426-T428 PolarHBondContact O-N 2.91Å; T428-Q432 WeakPolarHBondContact O-CG 3.3Å; T428-Q432 PolarHBondContact O-N 3.26Å
429M79.7Confident81.1Confident83 Ų83125.7 Ų125.741%0.40963%0.627SS.*Hα-helixtrans-70.3-44.8173-71-164.478.200111F425 H426 R431 Q432 D433F425-M429 HydrophobicContact CD1-CG 4.4Å; F425-M429 HydrophobicContact CD1-SD 4.11Å; F425-M429 HydrophobicContact CE1-CG 4.04Å; F425-M429 HydrophobicContact CE1-SD 3.37Å; F425-M429 WeakPolarHBondContact CE1-SD 2.93Å; F425-M429 HydrophobicContact CZ-CG 4.24Å; F425-M429 HydrophobicContact CZ-SD 3.82Å; F425-M429 PolarHBondContact O-N 3.34Å; H426-M429 PolarHBondContact O-N 3.29Å; H426-M429 VanDerWaalsContact O-N 3.1Å; M429-R431 PolarHBondContact O-N 3.4Å; M429-Q432 PolarHBondContact O-N 3.35Å; M429-D433 PolarHBondContact O-N 2.82Å; M429-D433 VanDerWaalsContact O-N 3.12Å
430D80Confident80.6Confident84 Ų84126.1 Ų126.145%0.44963%0.631SS.*Hα-helixtrans-59.5-36.6178.2-64.3-22.4000111.7H426 Q432 D433 E434H426-D430 PolarHBondContact O-N 2.85Å; D430-Q432 VanDerWaalsContact C-N 3.34Å; D430-Q432 PolarHBondContact O-N 2.98Å; D430-D433 PolarHBondContact O-N 3.39Å; D430-E434 PolarHBondContact O-N 2.93Å
431R79.1Confident79.9Confident186 Ų186127 Ų12770%0.70264%0.638SS**Hα-helixtrans-70.9-24.1174.2-78.8-168.6-173.6102.9-2.3114.4S427 M429S427-R431 WeakPolarHBondContact O-CG 3.27Å; S427-R431 PolarHBondContact O-N 3.14Å; M429-R431 PolarHBondContact O-N 3.4Å
432Q74.3Confident79.2Confident148 Ų148121.8 Ų121.869%0.69263%0.63SS**Hα-helixtrans-81.8-24.4175.9-77.1-174-31.900112.2T428 M429 D430T428-Q432 WeakPolarHBondContact O-CG 3.3Å; T428-Q432 PolarHBondContact O-N 3.26Å; M429-Q432 PolarHBondContact O-N 3.35Å; D430-Q432 VanDerWaalsContact C-N 3.34Å; D430-Q432 PolarHBondContact O-N 2.98Å
433D70Confident78.5Confident136 Ų136118.9 Ų118.973%0.72763%0.625SS**Hα-helixtrans-86.1-16.9177.2-73-25000113.3M429 D430M429-D433 PolarHBondContact O-N 2.82Å; M429-D433 VanDerWaalsContact O-N 3.12Å; D430-D433 PolarHBondContact O-N 3.39Å
434E66.3Low77.6Confident186 Ų186118.2 Ų118.287%0.86963%0.627SS**  trans-90.5-4.5175.4-73-159.9158.500115.3D430D430-E434 PolarHBondContact O-N 2.93Å
435G58.7Low76.5Confident123 Ų123118.8 Ų118.8100%1.26863%0.632SS**  trans-111.60177.400000112.7

Retrieved 435 of 435 residues in 747.8 ms (Link to these results)

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