A0A087YSS6_POEFO Loading...

BCL2 apoptosis regulator

AlphaFold DB , UniProt , Accession A0A087YSS6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 229 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
1M51.8Low82.8Confident200 Ų20062.3 Ų62.399%0.98532%0.321SS*.  0-69.70-66.1-162.7-147.800111.6N3 D4 Y5M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.27Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 2.89Å; M1-D4 PolarHBondContact O-N 3.07Å; M1-Y5 PolarHBondContact O-N 3.28Å
2A56.6Low83.8Confident60 Ų6060.7 Ų60.750%0.49631%0.313SS..Hα-helixtrans-61.4-39.3176.700000113.2D4 Y5 N6A2-D4 VanDerWaalsContact C-N 3.33Å; A2-D4 PolarHBondContact O-N 3.1Å; A2-Y5 PolarHBondContact O-N 3.46Å; A2-N6 PolarHBondContact O-N 3.36Å
3N66.5Low84.8Confident96 Ų9656.2 Ų56.251%0.51329%0.29SS..Hα-helixtrans-59.8-41.5177.1-165.820.4000112.7M1 Y5 R7 N171M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.27Å; N3-Y5 VanDerWaalsContact C-N 3.31Å; N3-Y5 PolarHBondContact O-N 3.09Å; N3-R7 VanDerWaalsContact O-CB 3.27Å; N3-R7 WeakPolarHBondContact O-CB 3.22Å; N3-R7 PolarHBondContact O-N 3.45Å; N3-N171 PolarHBondContact OD1-ND2 3.33Å
4D80.7Confident85.6Confident104 Ų10452.1 Ų52.156%0.55627%0.269SS*.Hα-helixtrans-73-28.1-178-47.3-58.3000111.9M1 A2 N8M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 2.89Å; M1-D4 PolarHBondContact O-N 3.07Å; A2-D4 VanDerWaalsContact C-N 3.33Å; A2-D4 PolarHBondContact O-N 3.1Å; D4-N8 WeakPolarHBondContact O-CB 3.38Å; D4-N8 PolarHBondContact O-N 3.41Å
5Y88.8Confident86.2Confident43 Ų4351.7 Ų51.717%0.16927%0.272CS..Hα-helixtrans-72.8-56-178.8169.5-122.9000112.9M1 A2 N3 R7 N8 I9 Y78 I81 W184M1-Y5 PolarHBondContact O-N 3.28Å; A2-Y5 PolarHBondContact O-N 3.46Å; N3-Y5 VanDerWaalsContact C-N 3.31Å; N3-Y5 PolarHBondContact O-N 3.09Å; Y5-R7 VanDerWaalsContact C-N 3.25Å; Y5-R7 PolarHBondContact O-N 3.01Å; Y5-N8 WeakPolarHBondContact O-CB 3.24Å; Y5-N8 PolarHBondContact O-N 3.4Å; Y5-N8 VanDerWaalsContact O-N 3.16Å; Y5-I9 HydrophobicContact CD2-CD1 4.16Å; Y5-I9 HydrophobicContact CE1-CD1 4.09Å; Y5-I9 HydrophobicContact CE2-CD1 3.63Å; Y5-I9 HydrophobicContact CE2-CG1 4.29Å; Y5-I9 PolarHBondContact O-N 3.4Å; Y5-Y78 AromaticContact CD2-CD1 3.72Å; Y5-Y78 HydrophobicContact CD2-CD1 3.72Å; Y5-Y78 HydrophobicContact CD2-CD2 4.29Å; Y5-Y78 AromaticContact CD2-CE1 3.24Å; Y5-Y78 HydrophobicContact CD2-CE1 3.24Å; Y5-Y78 AromaticContact CD2-CE2 3.89Å; Y5-Y78 HydrophobicContact CD2-CE2 3.89Å; Y5-Y78 HydrophobicContact CD2-CG 4.19Å; Y5-Y78 AromaticContact CD2-CZ 3.33Å; Y5-Y78 AromaticContact CE2-CD1 3.28Å; Y5-Y78 HydrophobicContact CE2-CD1 3.28Å; Y5-Y78 HydrophobicContact CE2-CD2 4.5Å; Y5-Y78 AromaticContact CE2-CE1 3.19Å; Y5-Y78 HydrophobicContact CE2-CE1 3.19Å; Y5-Y78 HydrophobicContact CE2-CE2 4.44Å; Y5-Y78 AromaticContact CE2-CG 3.95Å; Y5-Y78 HydrophobicContact CE2-CG 3.95Å; Y5-Y78 AromaticContact CE2-CZ 3.82Å; Y5-Y78 HydrophobicContact CG-CE1 4.44Å; Y5-I81 HydrophobicContact CE2-CD1 4.12Å; Y5-I81 WeakPolarHBondContact OH-CD1 3.03Å; Y5-W184 AromaticContact CE1-CD1 3.36Å; Y5-W184 HydrophobicContact CE1-CG 4.4Å; Y5-W184 AromaticContact CE1-NE1 3.82Å; Y5-W184 AromaticContact CZ-CD1 3.49Å; Y5-W184 VanDerWaalsContact CZ-CD1 3.49Å; Y5-W184 VanDerWaalsContact OH-CB 3.25Å; Y5-W184 WeakPolarHBondContact OH-CB 3.32Å
6N94.4Very high86.7Confident3 Ų350.6 Ų50.62%0.01627%0.265CS..Hα-helixtrans-63.8-34.2178.3-77-35.5000111.5A2 N8 I9 V10 L170 N171 W184A2-N6 PolarHBondContact O-N 3.36Å; N6-N8 VanDerWaalsContact C-N 3.35Å; N6-N8 PolarHBondContact O-N 2.84Å; N6-I9 PolarHBondContact O-N 3.19Å; N6-V10 WeakPolarHBondContact O-CG2 3.44Å; N6-V10 PolarHBondContact O-N 3.42Å; N6-L170 HydrophobicContact CB-CB 3.98Å; N6-L170 HydrophobicContact CB-CD1 4.2Å; N6-N171 WeakPolarHBondContact CB-OD1 3.41Å; N6-N171 PolarHBondContact ND2-OD1 3.12Å; N6-W184 PolarHBondContact OD1-NE1 3.16Å
7R93.6Very high87.1Confident89 Ų8948.1 Ų48.134%0.33625%0.251SS..Hα-helixtrans-58.1-46.7173.4-168.4173.8-174.5-72.6-12.1111.6N3 Y5 I9 V10 E11 F27 T167N3-R7 VanDerWaalsContact O-CB 3.27Å; N3-R7 WeakPolarHBondContact O-CB 3.22Å; N3-R7 PolarHBondContact O-N 3.45Å; Y5-R7 VanDerWaalsContact C-N 3.25Å; Y5-R7 PolarHBondContact O-N 3.01Å; R7-I9 VanDerWaalsContact C-N 3.35Å; R7-I9 PolarHBondContact O-N 3.27Å; R7-V10 PolarHBondContact O-N 3.02Å; R7-E11 HydrophobicContact CG-CG 4.41Å; R7-E11 IonicContact CZ-OE1 2.92Å; R7-E11 IonicContact CZ-OE2 3.87Å; R7-E11 IonicContact NE-OE1 3.88Å; R7-E11 IonicContact NH1-OE1 2.68Å; R7-E11 PolarHBondContact NH1-OE1 3.08Å; R7-E11 IonicContact NH1-OE2 3Å; R7-E11 PolarHBondContact NH1-OE2 2.96Å; R7-E11 IonicContact NH2-OE1 2.81Å; R7-E11 PolarHBondContact NH2-OE1 3.18Å; R7-E11 WeakPolarHBondContact O-CB 3.29Å; R7-E11 WeakPolarHBondContact O-CG 3.33Å; R7-E11 PolarHBondContact O-N 2.85Å; R7-F27 VanDerWaalsContact NH2-CE1 3.33Å; R7-T167 HydrophobicContact CB-CG2 3.75Å; R7-T167 HydrophobicContact CG-CG2 4.28Å
8N92.9Very high87.4Confident58 Ų5845.4 Ų45.431%0.3124%0.237SC..Hα-helixtrans-62.4-40.7179.3-175.9-83.8000112.3D4 Y5 N6 N12 H82D4-N8 WeakPolarHBondContact O-CB 3.38Å; D4-N8 PolarHBondContact O-N 3.41Å; Y5-N8 WeakPolarHBondContact O-CB 3.24Å; Y5-N8 PolarHBondContact O-N 3.4Å; Y5-N8 VanDerWaalsContact O-N 3.16Å; N6-N8 VanDerWaalsContact C-N 3.35Å; N6-N8 PolarHBondContact O-N 2.84Å; N8-N12 VanDerWaalsContact O-CB 3.26Å; N8-N12 WeakPolarHBondContact O-CB 3.39Å; N8-N12 PolarHBondContact O-N 3.35Å; N8-H82 PolarHBondContact OD1-CE1 2.81Å; N8-H82 PolarHBondContact OD1-NE2 2.93Å
9I95.4Very high87.6Confident0 Ų046.7 Ų46.70%025%0.25CS..Hα-helixtrans-60.8-48.9175.2-63.8171.4000111.2Y5 N6 R7 Y13 I81 L85 F139 W184Y5-I9 HydrophobicContact CD2-CD1 4.16Å; Y5-I9 HydrophobicContact CE1-CD1 4.09Å; Y5-I9 HydrophobicContact CE2-CD1 3.63Å; Y5-I9 HydrophobicContact CE2-CG1 4.29Å; Y5-I9 PolarHBondContact O-N 3.4Å; N6-I9 PolarHBondContact O-N 3.19Å; R7-I9 VanDerWaalsContact C-N 3.35Å; R7-I9 PolarHBondContact O-N 3.27Å; I9-Y13 WeakPolarHBondContact O-CB 3.43Å; I9-Y13 PolarHBondContact O-N 3.33Å; I9-Y13 VanDerWaalsContact O-N 3.12Å; I9-I81 HydrophobicContact CD1-CG2 4.03Å; I9-I81 HydrophobicContact CG1-CG2 4.3Å; I9-I81 HydrophobicContact CG2-CG2 4.49Å; I9-L85 HydrophobicContact CG2-CD2 3.65Å; I9-F139 HydrophobicContact CG2-CE1 3.93Å; I9-F139 HydrophobicContact CG2-CZ 3.77Å; I9-W184 HydrophobicContact CD1-CD2 4.04Å; I9-W184 HydrophobicContact CD1-CG 4.08Å; I9-W184 HydrophobicContact CD1-CZ2 4.34Å
10V96.4Very high87.8Confident0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-60.1-49.9178.3171.90000111.4N6 R7 N12 Y13 I14 F139 A163 M166 L170N6-V10 WeakPolarHBondContact O-CG2 3.44Å; N6-V10 PolarHBondContact O-N 3.42Å; R7-V10 PolarHBondContact O-N 3.02Å; V10-N12 PolarHBondContact O-N 3.04Å; V10-Y13 PolarHBondContact O-N 3.04Å; V10-I14 HydrophobicContact CG1-CD1 3.65Å; V10-I14 HydrophobicContact CG1-CG1 4.42Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 2.86Å; V10-F139 HydrophobicContact CG2-CE1 3.98Å; V10-F139 HydrophobicContact CG2-CZ 4.13Å; V10-A163 HydrophobicContact CG1-CB 4.13Å; V10-M166 HydrophobicContact CG1-CB 3.83Å; V10-M166 HydrophobicContact CG1-SD 4.24Å; V10-M166 HydrophobicContact CG2-CB 4.07Å; V10-L170 HydrophobicContact CG2-CD1 3.42Å; V10-L170 VanDerWaalsContact CG2-CD1 3.42Å
11E94.1Very high87.9Confident32 Ų3252.1 Ų52.115%0.1527%0.266CS..Hα-helixtrans-63.2-45.4-177.6-73.6-177.1145.700112R7 Y13 I14 C15 W25 F27R7-E11 HydrophobicContact CG-CG 4.41Å; R7-E11 IonicContact CZ-OE1 2.92Å; R7-E11 IonicContact CZ-OE2 3.87Å; R7-E11 IonicContact NE-OE1 3.88Å; R7-E11 IonicContact NH1-OE1 2.68Å; R7-E11 PolarHBondContact NH1-OE1 3.08Å; R7-E11 IonicContact NH1-OE2 3Å; R7-E11 PolarHBondContact NH1-OE2 2.96Å; R7-E11 IonicContact NH2-OE1 2.81Å; R7-E11 PolarHBondContact NH2-OE1 3.18Å; R7-E11 WeakPolarHBondContact O-CB 3.29Å; R7-E11 WeakPolarHBondContact O-CG 3.33Å; R7-E11 PolarHBondContact O-N 2.85Å; E11-Y13 VanDerWaalsContact C-N 3.26Å; E11-Y13 PolarHBondContact O-N 3.39Å; E11-I14 PolarHBondContact O-N 3.23Å; E11-C15 VanDerWaalsContact O-CB 3.23Å; E11-C15 WeakPolarHBondContact O-CB 3.46Å; E11-C15 PolarHBondContact O-N 3.19Å; E11-C15 PolarHBondContact O-SG 3.45Å; E11-C15 VanDerWaalsContact O-SG 3.32Å; E11-W25 HydrophobicContact CB-CH2 4.48Å; E11-W25 HydrophobicContact CB-CZ3 4.23Å; E11-W25 HydrophobicContact CG-CH2 3.97Å; E11-W25 HydrophobicContact CG-CZ3 4.21Å; E11-F27 WeakPolarHBondContact OE1-CD2 2.89Å; E11-F27 WeakPolarHBondContact OE1-CE2 3.22Å
12N94.9Very high89.7Confident43 Ų4344.2 Ų44.223%0.2324%0.237CC..Hα-helixtrans-57.7-43.3177.5-169.2-68.6000111.1N8 V10 H16 H82N8-N12 VanDerWaalsContact O-CB 3.26Å; N8-N12 WeakPolarHBondContact O-CB 3.39Å; N8-N12 PolarHBondContact O-N 3.35Å; V10-N12 PolarHBondContact O-N 3.04Å; N12-H16 WeakPolarHBondContact O-CB 3.27Å; N12-H16 PolarHBondContact O-N 2.89Å; N12-H82 VanDerWaalsContact CB-CE1 3.41Å; N12-H82 WeakPolarHBondContact CB-CE1 2.87Å; N12-H82 WeakPolarHBondContact CB-ND1 3.07Å; N12-H82 VanDerWaalsContact CG-CG 3.42Å; N12-H82 PolarHBondContact ND2-CD2 2.68Å; N12-H82 VanDerWaalsContact ND2-CD2 3.26Å; N12-H82 PolarHBondContact ND2-NE2 2.99Å
13Y96.8Very high91.2Very high2 Ų242.7 Ų42.71%0.00822%0.218CC..Hα-helixtrans-66.7-49-179.9-166.4-94.3000113I9 V10 E11 C15 H16 K17 L85 R86 G89 F139 E140I9-Y13 WeakPolarHBondContact O-CB 3.43Å; I9-Y13 PolarHBondContact O-N 3.33Å; I9-Y13 VanDerWaalsContact O-N 3.12Å; V10-Y13 PolarHBondContact O-N 3.04Å; E11-Y13 VanDerWaalsContact C-N 3.26Å; E11-Y13 PolarHBondContact O-N 3.39Å; Y13-C15 PolarHBondContact O-N 3.18Å; Y13-H16 WeakPolarHBondContact O-CB 3.42Å; Y13-H16 PolarHBondContact O-N 3.41Å; Y13-K17 HydrophobicContact CD1-CG 4.06Å; Y13-K17 HydrophobicContact CE1-CD 4.3Å; Y13-K17 HydrophobicContact CE1-CG 3.8Å; Y13-K17 WeakPolarHBondContact O-CG 3.37Å; Y13-K17 PolarHBondContact O-N 2.99Å; Y13-L85 HydrophobicContact CD2-CB 4.42Å; Y13-L85 HydrophobicContact CD2-CD2 3.81Å; Y13-L85 HydrophobicContact CD2-CG 3.72Å; Y13-L85 HydrophobicContact CE2-CD2 4.29Å; Y13-L85 HydrophobicContact CE2-CG 3.74Å; Y13-L85 WeakPolarHBondContact CE2-O 3.34Å; Y13-L85 HydrophobicContact CG-CD2 4.39Å; Y13-R86 HydrophobicContact CD2-CG 4.15Å; Y13-R86 HydrophobicContact CE2-CG 4.45Å; Y13-G89 VanDerWaalsContact OH-CA 3.3Å; Y13-G89 WeakPolarHBondContact OH-CA 3.26Å; Y13-F139 HydrophobicContact CD1-CB 4.04Å; Y13-F139 AromaticContact CD1-CD1 3.76Å; Y13-F139 HydrophobicContact CD1-CD1 3.76Å; Y13-F139 HydrophobicContact CD1-CG 4.39Å; Y13-F139 HydrophobicContact CD2-CD1 4.25Å; Y13-F139 HydrophobicContact CE1-CB 3.67Å; Y13-F139 HydrophobicContact CE1-CD1 4.28Å; Y13-F139 HydrophobicContact CE1-CG 4.48Å; Y13-F139 WeakPolarHBondContact CE1-O 3.41Å; Y13-F139 HydrophobicContact CE2-CB 4.4Å; Y13-F139 AromaticContact CG-CD1 3.7Å; Y13-F139 HydrophobicContact CG-CD1 3.7Å; Y13-F139 HydrophobicContact CG-CE1 4.44Å; Y13-E140 PolarHBondContact OH-OE1 3.19Å
14I95.5Very high92.1Very high0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-62.2-45.2178.7-68.6171000110.2V10 E11 H16 K17 L18 W25 C146 V159 A163 M166V10-I14 HydrophobicContact CG1-CD1 3.65Å; V10-I14 HydrophobicContact CG1-CG1 4.42Å; V10-I14 WeakPolarHBondContact O-CG1 3.32Å; V10-I14 PolarHBondContact O-N 2.86Å; E11-I14 PolarHBondContact O-N 3.23Å; I14-H16 VanDerWaalsContact C-N 3.29Å; I14-H16 PolarHBondContact O-N 3.34Å; I14-K17 PolarHBondContact O-N 2.75Å; I14-L18 HydrophobicContact CG2-CD1 3.59Å; I14-L18 HydrophobicContact CG2-CG 4.09Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 WeakPolarHBondContact O-CG 3.21Å; I14-L18 PolarHBondContact O-N 2.63Å; I14-W25 HydrophobicContact CB-CE3 4.14Å; I14-W25 HydrophobicContact CB-CZ3 3.73Å; I14-W25 HydrophobicContact CG2-CD2 4.38Å; I14-W25 HydrophobicContact CG2-CE3 3.61Å; I14-W25 HydrophobicContact CG2-CH2 4.28Å; I14-W25 HydrophobicContact CG2-CZ3 3.58Å; I14-C146 HydrophobicContact CG2-CB 4.05Å; I14-V159 HydrophobicContact CG2-CG1 4.15Å; I14-A163 HydrophobicContact CD1-CB 3.61Å; I14-M166 HydrophobicContact CD1-SD 4.02Å
15C94.1Very high92.3Very high46 Ų4637.5 Ų37.531%0.31119%0.192SC..Hα-helixtrans-53.5-47173.8-81.90000111.7E11 Y13 S19E11-C15 VanDerWaalsContact O-CB 3.23Å; E11-C15 WeakPolarHBondContact O-CB 3.46Å; E11-C15 PolarHBondContact O-N 3.19Å; E11-C15 PolarHBondContact O-SG 3.45Å; E11-C15 VanDerWaalsContact O-SG 3.32Å; Y13-C15 PolarHBondContact O-N 3.18Å; C15-S19 VanDerWaalsContact O-CB 3.25Å; C15-S19 WeakPolarHBondContact O-CB 3.3Å; C15-S19 PolarHBondContact O-N 2.64Å; C15-S19 PolarHBondContact O-OG 3.37Å
16H94.8Very high91.3Very high34 Ų3436.9 Ų36.916%0.15720%0.198CC..Hα-helixtrans-58.6-50177.2173.870.9000112.1N12 Y13 I14 S19 K20 R86 D90N12-H16 WeakPolarHBondContact O-CB 3.27Å; N12-H16 PolarHBondContact O-N 2.89Å; Y13-H16 WeakPolarHBondContact O-CB 3.42Å; Y13-H16 PolarHBondContact O-N 3.41Å; I14-H16 VanDerWaalsContact C-N 3.29Å; I14-H16 PolarHBondContact O-N 3.34Å; H16-S19 PolarHBondContact O-N 3.49Å; H16-S19 PolarHBondContact O-OG 3.17Å; H16-K20 WeakPolarHBondContact NE2-CD 3.33Å; H16-K20 PolarHBondContact O-N 2.98Å; H16-R86 HydrophobicContact CB-CG 4.17Å; H16-R86 VanDerWaalsContact CD2-CD 3.46Å; H16-R86 WeakPolarHBondContact CD2-CD 3.2Å; H16-R86 WeakPolarHBondContact ND1-CD 3.35Å; H16-D90 IonicContact NE2-OD1 3.88Å; H16-D90 IonicContact NE2-OD2 2.63Å
17K94.2Very high89.2Confident7 Ų741.2 Ų41.23%0.0322%0.217CC..Hα-helixtrans-68.5-39.4-176.6-62.7-73.1-77-165.90112.3Y13 I14 K20 R21 D90 E93 E140 S143Y13-K17 HydrophobicContact CD1-CG 4.06Å; Y13-K17 HydrophobicContact CE1-CD 4.3Å; Y13-K17 HydrophobicContact CE1-CG 3.8Å; Y13-K17 WeakPolarHBondContact O-CG 3.37Å; Y13-K17 PolarHBondContact O-N 2.99Å; I14-K17 PolarHBondContact O-N 2.75Å; K17-K20 PolarHBondContact O-N 3.47Å; K17-R21 WeakPolarHBondContact O-CG 3.47Å; K17-R21 PolarHBondContact O-N 3.01Å; K17-D90 IonicContact NZ-OD1 3.16Å; K17-E93 VanDerWaalsContact NZ-CD 3.31Å; K17-E93 IonicContact NZ-OE1 3.4Å; K17-E93 IonicContact NZ-OE2 2.77Å; K17-E93 PolarHBondContact NZ-OE2 2.77Å; K17-E140 WeakPolarHBondContact CE-OE1 3.39Å; K17-E140 WeakPolarHBondContact CE-OE2 3.43Å; K17-E140 IonicContact NZ-OE1 3.24Å; K17-E140 PolarHBondContact NZ-OE1 3.5Å; K17-E140 IonicContact NZ-OE2 3.08Å; K17-E140 PolarHBondContact NZ-OE2 3.04Å; K17-S143 WeakPolarHBondContact CE-OG 3.2Å
18L91.6Very high86.7Confident0 Ų044.5 Ų44.50%024%0.242CC..Hα-helixtrans-62.5-44.1172.5-73.6176.5000111.8I14 K20 R21 G22 Y23 W25 L48 C146 V147 A150 V159I14-L18 HydrophobicContact CG2-CD1 3.59Å; I14-L18 HydrophobicContact CG2-CG 4.09Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 WeakPolarHBondContact O-CG 3.21Å; I14-L18 PolarHBondContact O-N 2.63Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 3.18Å; L18-R21 CarbonylContact O-C 3.44Å; L18-R21 WeakPolarHBondContact O-CA 3.46Å; L18-R21 PolarHBondContact O-N 3.13Å; L18-G22 PolarHBondContact O-N 2.78Å; L18-Y23 CarbonylContact C-O 3.33Å; L18-Y23 HydrophobicContact CD2-CD2 4.43Å; L18-Y23 PolarHBondContact O-N 2.85Å; L18-W25 HydrophobicContact CD1-CB 3.58Å; L18-W25 HydrophobicContact CD1-CD2 4.21Å; L18-W25 HydrophobicContact CD1-CE3 4.3Å; L18-W25 HydrophobicContact CD1-CG 3.95Å; L18-L48 HydrophobicContact CD1-CD2 4.13Å; L18-C146 HydrophobicContact CD2-CB 4.41Å; L18-V147 HydrophobicContact CD2-CB 4.48Å; L18-V147 HydrophobicContact CD2-CG2 3.9Å; L18-A150 HydrophobicContact CD2-CB 3.81Å; L18-V159 HydrophobicContact CD1-CG1 3.91Å
19S91.9Very high84Confident70 Ų7044.7 Ų44.749%0.4926%0.257SS..Hα-helixtrans-62.6-38.3179770000112.8C15 H16 R21 G22 Y23C15-S19 VanDerWaalsContact O-CB 3.25Å; C15-S19 WeakPolarHBondContact O-CB 3.3Å; C15-S19 PolarHBondContact O-N 2.64Å; C15-S19 PolarHBondContact O-OG 3.37Å; H16-S19 PolarHBondContact O-N 3.49Å; H16-S19 PolarHBondContact O-OG 3.17Å; S19-R21 PolarHBondContact O-N 3.05Å; S19-G22 PolarHBondContact O-N 3.28Å; S19-Y23 VanDerWaalsContact CA-O 3.29Å; S19-Y23 WeakPolarHBondContact CA-O 3.48Å; S19-Y23 PolarHBondContact N-O 3.19Å
20K91.4Very high80.9Confident93 Ų9350.6 Ų50.640%0.40429%0.293SS..Hα-helixtrans-60.1-24.8173.4-78.1179.556.5176.20112.6H16 K17 L18 D90 E93H16-K20 WeakPolarHBondContact NE2-CD 3.33Å; H16-K20 PolarHBondContact O-N 2.98Å; K17-K20 PolarHBondContact O-N 3.47Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 3.18Å; K20-D90 IonicContact NZ-OD1 3.34Å; K20-D90 PolarHBondContact NZ-OD1 3.25Å; K20-D90 IonicContact NZ-OD2 2.75Å; K20-D90 PolarHBondContact NZ-OD2 3.09Å; K20-E93 IonicContact NZ-OE2 3.69Å; K20-E93 PolarHBondContact NZ-OE2 2.9Å
21R89.3Confident78Confident114 Ų11455.5 Ų55.543%0.4333%0.325SS..THydrogen-bonded Turntrans-100.25.5178.3-57.9-66.4-173.399.91113.2K17 L18 S19 Y23 E93 V147K17-R21 WeakPolarHBondContact O-CG 3.47Å; K17-R21 PolarHBondContact O-N 3.01Å; L18-R21 CarbonylContact O-C 3.44Å; L18-R21 WeakPolarHBondContact O-CA 3.46Å; L18-R21 PolarHBondContact O-N 3.13Å; S19-R21 PolarHBondContact O-N 3.05Å; R21-Y23 HydrophobicContact CB-CD2 3.83Å; R21-Y23 HydrophobicContact CB-CE2 4.03Å; R21-E93 IonicContact CZ-OE1 3.95Å; R21-E93 IonicContact NE-OE1 3.67Å; R21-E93 IonicContact NH2-OE1 3.75Å; R21-E93 PolarHBondContact NH2-OE1 3.14Å; R21-V147 HydrophobicContact CB-CG1 4.23Å; R21-V147 HydrophobicContact CB-CG2 4.48Å; R21-V147 HydrophobicContact CG-CG1 3.82Å; R21-V147 HydrophobicContact CG-CG2 3.9Å
22G89.5Confident75.2Confident35 Ų3560.9 Ų60.936%0.36135%0.354SS..THydrogen-bonded Turntrans85.512.7176.100000115.3L18 S19 R51L18-G22 PolarHBondContact O-N 2.78Å; S19-G22 PolarHBondContact O-N 3.28Å; G22-R51 PolarHBondContact O-N 3.47Å; G22-R51 VanDerWaalsContact O-N 3.13Å
23Y87.7Confident72.7Confident27 Ų2766.2 Ų66.211%0.10638%0.383CS..EExtended strand (participates in β ladder)trans-97.6139174.9-60.9-81.3000110.5L18 S19 R21 R50 A150 S151L18-Y23 CarbonylContact C-O 3.33Å; L18-Y23 HydrophobicContact CD2-CD2 4.43Å; L18-Y23 PolarHBondContact O-N 2.85Å; S19-Y23 VanDerWaalsContact CA-O 3.29Å; S19-Y23 WeakPolarHBondContact CA-O 3.48Å; S19-Y23 PolarHBondContact N-O 3.19Å; R21-Y23 HydrophobicContact CB-CD2 3.83Å; R21-Y23 HydrophobicContact CB-CE2 4.03Å; Y23-R50 HydrophobicContact CD1-CB 4.43Å; Y23-R50 HydrophobicContact CD1-CG 4.44Å; Y23-R50 HydrophobicContact CE1-CB 4.46Å; Y23-R50 HydrophobicContact CE1-CG 4.24Å; Y23-A150 HydrophobicContact CD1-CB 3.87Å; Y23-A150 HydrophobicContact CD2-CB 4.27Å; Y23-A150 HydrophobicContact CE1-CB 4.02Å; Y23-A150 WeakPolarHBondContact CE1-O 3.48Å; Y23-A150 HydrophobicContact CE2-CB 4.43Å; Y23-A150 HydrophobicContact CG-CB 4Å; Y23-S151 WeakPolarHBondContact OH-CA 3.27Å; Y23-S151 WeakPolarHBondContact OH-CB 3.34Å
24V86.9Confident70.1Confident75 Ų7573.7 Ų73.746%0.45542%0.423SS..EExtended strand (participates in β ladder)trans-106.7121169.7-177.90000107.6L48 V49V24-L48 WeakPolarHBondContact O-CA 3.43Å; V24-V49 PolarHBondContact N-O 3.23Å; V24-V49 PolarHBondContact O-N 3.28Å
25W84.7Confident67.5Low16 Ų1678.1 Ų78.16%0.06146%0.46CS..  trans-115.3124.8173.1-174.949.5000107.7E11 I14 L18 F27 L48 V159 D160 A163E11-W25 HydrophobicContact CB-CH2 4.48Å; E11-W25 HydrophobicContact CB-CZ3 4.23Å; E11-W25 HydrophobicContact CG-CH2 3.97Å; E11-W25 HydrophobicContact CG-CZ3 4.21Å; I14-W25 HydrophobicContact CB-CE3 4.14Å; I14-W25 HydrophobicContact CB-CZ3 3.73Å; I14-W25 HydrophobicContact CG2-CD2 4.38Å; I14-W25 HydrophobicContact CG2-CE3 3.61Å; I14-W25 HydrophobicContact CG2-CH2 4.28Å; I14-W25 HydrophobicContact CG2-CZ3 3.58Å; L18-W25 HydrophobicContact CD1-CB 3.58Å; L18-W25 HydrophobicContact CD1-CD2 4.21Å; L18-W25 HydrophobicContact CD1-CE3 4.3Å; L18-W25 HydrophobicContact CD1-CG 3.95Å; W25-F27 HydrophobicContact CH2-CD2 4.47Å; W25-F27 AromaticContact CH2-CE2 3.98Å; W25-F27 HydrophobicContact CH2-CE2 3.98Å; W25-F27 HydrophobicContact CZ2-CD2 4.12Å; W25-F27 AromaticContact CZ2-CE2 3.52Å; W25-F27 HydrophobicContact CZ2-CE2 3.52Å; W25-L48 HydrophobicContact CB-CD2 3.46Å; W25-L48 VanDerWaalsContact CB-CD2 3.46Å; W25-L48 HydrophobicContact CG-CD2 3.64Å; W25-V159 HydrophobicContact CD2-CG1 4Å; W25-V159 HydrophobicContact CG-CG1 4.25Å; W25-V159 HydrophobicContact CZ2-CG1 4.1Å; W25-D160 VanDerWaalsContact CZ2-OD1 3.32Å; W25-D160 WeakPolarHBondContact CZ2-OD1 3.49Å; W25-D160 PolarHBondContact NE1-OD1 3.11Å; W25-A163 HydrophobicContact CH2-CB 3.59Å; W25-A163 HydrophobicContact CZ2-CB 4.04Å
26G67.4Low65Low30 Ų3080.7 Ų80.731%0.30948%0.484SS..  trans-140.5126.2-178.800000110.3N28 P46G26-N28 PolarHBondContact O-N 3.36Å; G26-P46 WeakPolarHBondContact O-CB 3.36Å
27F50.8Low62.8Low94 Ų9485.7 Ų85.741%0.41251%0.512SS..  trans-75.7107161.2-93.6-91.2000107.6R7 E11 W25 G29 P46R7-F27 VanDerWaalsContact NH2-CE1 3.33Å; E11-F27 WeakPolarHBondContact OE1-CD2 2.89Å; E11-F27 WeakPolarHBondContact OE1-CE2 3.22Å; W25-F27 HydrophobicContact CH2-CD2 4.47Å; W25-F27 AromaticContact CH2-CE2 3.98Å; W25-F27 HydrophobicContact CH2-CE2 3.98Å; W25-F27 HydrophobicContact CZ2-CD2 4.12Å; W25-F27 AromaticContact CZ2-CE2 3.52Å; W25-F27 HydrophobicContact CZ2-CE2 3.52Å; F27-G29 PolarHBondContact O-N 3.28Å; F27-P46 HydrophobicContact CD1-CG 4.46Å; F27-P46 HydrophobicContact CE1-CG 4.35Å
28N40.4Very low60.3Low159 Ų15992.9 Ų92.985%0.8555%0.551SS**  trans-6984.6164.5-88.2-2.4000108.4G26G26-N28 PolarHBondContact O-N 3.36Å
29G36.3Very low58Low62 Ų6297 Ų9764%0.63959%0.593SS**  trans-92.2121.2162.700000109.2F27F27-G29 PolarHBondContact O-N 3.28Å
30V30Very low55.1Low123 Ų12397 Ų9775%0.74561%0.605SS**  trans90.7100-179.5-164.90000114D32V30-D32 PolarHBondContact O-N 3.11Å
31P36.8Very low52.7Low103 Ų103101.8 Ų101.867%0.66963%0.634SS**  trans-59.2121.1153-8.323.8000107.2D33P31-D33 PolarHBondContact O-N 3.34Å
32D33.7Very low49.9Very low145 Ų14598.7 Ų98.778%0.77564%0.638SS**  trans-60.4110.3158.4-92-27.2000106V30 D34V30-D32 PolarHBondContact O-N 3.11Å; D32-D34 PolarHBondContact O-N 2.96Å
33D42.7Very low47.2Very low156 Ų156104.4 Ų104.483%0.83466%0.66SS**SBendtrans-68.233.4-178.4-102.5-21.6000113.1P31P31-D33 PolarHBondContact O-N 3.34Å
34D43.4Very low44.7Very low159 Ų159111.7 Ų111.785%0.8570%0.695SS**  trans-124.833.4-175-76.1-35.7000113.4D32D32-D34 PolarHBondContact O-N 2.96Å
35A39.2Very low42.3Very low93 Ų93111.9 Ų111.977%0.76970%0.699SS**SBendtrans-132.1105167.300000111.8
36A42.2Very low40.6Very low100 Ų100112.9 Ų112.983%0.82671%0.707SS**  trans-49.9132.8177.800000114
37N47.9Very low40Very low139 Ų139116.1 Ų116.174%0.74372%0.722SS**  trans28.2100.1138.5-167.335.7000117.3
38N41.7Very low40.8Very low157 Ų157113.2 Ų113.284%0.8471%0.71SS**  -159.7132.2125.8-93.8-29.9000110.2
39G43.9Very low42.3Very low86 Ų86109.3 Ų109.389%0.88769%0.692SS**  trans-60.2138.1-168.600000115.3
40G31Very low43.7Very low72 Ų72115 Ų11574%0.74269%0.694SS**  trans-173.6118.8164.600000107.7G42G40-G42 PolarHBondContact O-N 3.4Å
41L41Very low45Very low193 Ų193118.4 Ų118.4100%1.0169%0.693SS**  trans-59.197.4173-77.8148.7000108.5
42G31.2Very low45.3Very low49 Ų49118.6 Ų118.651%0.50570%0.696SS.*  trans-93.4109.6177.200000109.8G40 H44G40-G42 PolarHBondContact O-N 3.4Å; G42-H44 PolarHBondContact O-CD2 3.01Å; G42-H44 PolarHBondContact O-N 3.49Å
43D32.6Very low45.7Very low155 Ų155123.2 Ų123.283%0.82970%0.703SS**  trans-60.2117167.5-165.116000108.9S45D43-S45 PolarHBondContact O-N 3.5Å; D43-S45 VanDerWaalsContact O-N 3.15Å
44H34.8Very low45.4Very low180 Ų180123.2 Ų123.283%0.83370%0.703SS**  trans-83.788.4-176.6-62.1-76.8000109.4G42G42-H44 PolarHBondContact O-CD2 3.01Å; G42-H44 PolarHBondContact O-N 3.49Å
45S36.6Very low45.3Very low78 Ų78121 Ų12155%0.54571%0.706SS.*  trans-116.3134.8165.6-83.60000110.7D43D43-S45 PolarHBondContact O-N 3.5Å; D43-S45 VanDerWaalsContact O-N 3.15Å
46P48.5Very low45Very low37 Ų37119.9 Ų119.924%0.2470%0.704CS.*  trans-61.3138.4172.4-0.410.5000110.3G26 F27G26-P46 WeakPolarHBondContact O-CB 3.36Å; F27-P46 HydrophobicContact CD1-CG 4.46Å; F27-P46 HydrophobicContact CE1-CG 4.35Å
47T55.6Low45.3Very low99 Ų99122 Ų12261%0.60771%0.709SS**  trans-97111.3-174.4-36.90000110.4V49T47-V49 HydrophobicContact CG2-CG2 3.83Å; T47-V49 PolarHBondContact O-N 3.05Å
48L66.9Low44.6Very low32 Ų32118.6 Ų118.617%0.16871%0.708CS.*  trans-69.9113.6162.6-80.5169.7000108.9L18 V24 W25 A150 T156 V159L18-L48 HydrophobicContact CD1-CD2 4.13Å; V24-L48 WeakPolarHBondContact O-CA 3.43Å; W25-L48 HydrophobicContact CB-CD2 3.46Å; W25-L48 VanDerWaalsContact CB-CD2 3.46Å; W25-L48 HydrophobicContact CG-CD2 3.64Å; L48-A150 HydrophobicContact CD1-CB 4.3Å; L48-T156 HydrophobicContact CB-CG2 4.43Å; L48-T156 HydrophobicContact CD1-CG2 4.12Å; L48-T156 VanDerWaalsContact CD1-O 3.31Å; L48-T156 WeakPolarHBondContact CD1-O 3.36Å; L48-V159 HydrophobicContact CD1-CB 3.9Å; L48-V159 HydrophobicContact CD1-CG1 4.45Å; L48-V159 HydrophobicContact CD1-CG2 3.55Å
49V72.8Confident45Very low77 Ų77117 Ų11747%0.46771%0.706SS.*EExtended strand (participates in β ladder)trans-112.1123.4179.8-175.80000109.4V24 T47V24-V49 PolarHBondContact N-O 3.23Å; V24-V49 PolarHBondContact O-N 3.28Å; T47-V49 HydrophobicContact CG2-CG2 3.83Å; T47-V49 PolarHBondContact O-N 3.05Å
50R65.1Low45.3Very low182 Ų182120.9 Ų120.969%0.68771%0.706SS**EExtended strand (participates in β ladder)trans-75.4123.9168.7-166.6179.8-173-172.82.7108.4Y23 C52Y23-R50 HydrophobicContact CD1-CB 4.43Å; Y23-R50 HydrophobicContact CD1-CG 4.44Å; Y23-R50 HydrophobicContact CE1-CB 4.46Å; Y23-R50 HydrophobicContact CE1-CG 4.24Å; R50-C52 PolarHBondContact O-N 3Å
51R56.4Low45.9Very low194 Ų194123 Ų12373%0.73271%0.71SS**  trans-71.8104.4179.4-175-179.9-102179.3-5.8109.8G22G22-R51 PolarHBondContact O-N 3.47Å; G22-R51 VanDerWaalsContact O-N 3.13Å
52C43.3Very low46Very low108 Ų108122 Ų12273%0.7371%0.705SS**  trans-67.9127.9159.8-67.50000108.1R50 D54R50-C52 PolarHBondContact O-N 3Å; C52-D54 VanDerWaalsContact C-N 3.35Å; C52-D54 PolarHBondContact O-N 3.42Å; C52-D54 VanDerWaalsContact O-N 3.09Å
53R42.8Very low46.6Very low241 Ų241123.9 Ų123.991%0.90971%0.711SS**  trans-87.375.3-173.8-157.5-178-158.5160.84109.6
54D36.1Very low47.3Very low157 Ų157120.9 Ų120.984%0.8469%0.694SS**  trans-118.4117.8166.9-79.5-39.5000109.6C52C52-D54 VanDerWaalsContact C-N 3.35Å; C52-D54 PolarHBondContact O-N 3.42Å; C52-D54 VanDerWaalsContact O-N 3.09Å
55A41Very low47.9Very low112 Ų112116.6 Ų116.693%0.92668%0.683SS**  trans-98.4125.7179.700000109.9
56G33.2Very low48.1Very low70 Ų70120.2 Ų120.272%0.72269%0.691SS**  trans-146.6131.1164.600000109.6
57P50Low47.7Very low143 Ų143127.2 Ų127.293%0.92971%0.712SS**  trans-86.7135.2179.433.5-29.1000110.5
58G31.5Very low47Very low69 Ų69126.7 Ų126.771%0.71171%0.705SS**  trans-134.5150.7171.900000110.8
59P49.8Very low45.4Very low123 Ų123129.3 Ų129.380%0.79973%0.725SS**  trans-99.5149.7-138.734.9-29.9000115.4
60D50.7Low43.5Very low167 Ų167135.9 Ų135.989%0.89374%0.742SS**  trans2.8123156.5-51.7-29.7000118.7
61S44.9Very low42.3Very low117 Ų117137.2 Ų137.282%0.81875%0.747SS**  trans-137.2131.5160.8-149.60000110.2S63S61-S63 PolarHBondContact O-N 3.14Å
62D43.1Very low41.7Very low171 Ų171134.3 Ų134.391%0.91474%0.744SS**  trans-41.7122.5-170.3-90.7-42.3000114.6
63S43.8Very low41.7Very low89 Ų89134.1 Ų134.162%0.62274%0.744SS**  trans-100.2108.8176.9-63.30000111.1S61 P65S61-S63 PolarHBondContact O-N 3.14Å; S63-P65 WeakPolarHBondContact O-CD 3.47Å
64D46.8Very low41.9Very low92 Ų92131.3 Ų131.349%0.49274%0.741SS.*  trans-53.6117.1169.5-175.9-8.6000111.2H66 R67 L68D64-H66 PolarHBondContact O-N 3.45Å; D64-H66 VanDerWaalsContact O-N 3.12Å; D64-H66 PolarHBondContact OD1-N 2.77Å; D64-R67 PolarHBondContact O-N 3.26Å; D64-R67 VanDerWaalsContact O-N 3.16Å; D64-L68 PolarHBondContact O-N 3.36Å
65P46.4Very low43.1Very low90 Ų90128.9 Ų128.958%0.58474%0.737SS**Hα-helixtrans-60.5-25.8-175.2-21.330.9000113.5S63 C69S63-P65 WeakPolarHBondContact O-CD 3.47Å; P65-C69 PolarHBondContact O-N 2.98Å; P65-C69 PolarHBondContact O-SG 3.06Å
66H41Very low44.7Very low154 Ų154126.8 Ų126.871%0.71371%0.71SS**Hα-helixtrans-80-24.9-178.6-78.1-72.8000113.5D64 R70D64-H66 PolarHBondContact O-N 3.45Å; D64-H66 VanDerWaalsContact O-N 3.12Å; D64-H66 PolarHBondContact OD1-N 2.77Å; H66-R70 PolarHBondContact O-N 2.84Å
67R40.9Very low47Very low185 Ų185128.3 Ų128.370%0.69871%0.707SS**Hα-helixtrans-75-34171.2-98.1-170.5173.4-150.7-0.6112D64 R70 R71D64-R67 PolarHBondContact O-N 3.26Å; D64-R67 VanDerWaalsContact O-N 3.16Å; R67-R70 PolarHBondContact O-N 3.16Å; R67-R71 PolarHBondContact O-N 2.74Å
68L40.2Very low48.8Very low88 Ų88124.9 Ų124.946%0.46168%0.676SS.*Hα-helixtrans-65-45173.4-78.1162.5000111.1D64 R70 R71 I72D64-L68 PolarHBondContact O-N 3.36Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.93Å; L68-R71 PolarHBondContact O-N 3.1Å; L68-I72 VanDerWaalsContact O-CD1 3.29Å; L68-I72 WeakPolarHBondContact O-CD1 2.88Å; L68-I72 WeakPolarHBondContact O-CG1 3.22Å; L68-I72 PolarHBondContact O-N 3.02Å
69C33.7Very low51.6Low86 Ų86123.9 Ų123.958%0.58166%0.661SS**Hα-helixtrans-63-29.2177-73.40000114P65P65-C69 PolarHBondContact O-N 2.98Å; P65-C69 PolarHBondContact O-SG 3.06Å
70R33.6Very low53.7Low216 Ų216122.1 Ų122.182%0.81565%0.645SS**Hα-helixtrans-76.7-31.5175.4-166.4177.3-66.21701112.9H66 R67 L68 I72H66-R70 PolarHBondContact O-N 2.84Å; R67-R70 PolarHBondContact O-N 3.16Å; L68-R70 VanDerWaalsContact C-N 3.28Å; L68-R70 PolarHBondContact O-N 2.93Å; R70-I72 VanDerWaalsContact C-N 3.33Å
71R38.2Very low55.9Low210 Ų210114.4 Ų114.479%0.79260%0.604SS**Hα-helixtrans-75.2-19.8174.4-78.3-170.2-169.6-171.92.6113.7R67 L68R67-R71 PolarHBondContact O-N 2.74Å; L68-R71 PolarHBondContact O-N 3.1Å
72I44.7Very low58.3Low133 Ų133109 Ų10968%0.68257%0.565SS**THydrogen-bonded Turntrans-85.3-4.9-174.8-68.1164.8000113.1L68 R70L68-I72 VanDerWaalsContact O-CD1 3.29Å; L68-I72 WeakPolarHBondContact O-CD1 2.88Å; L68-I72 WeakPolarHBondContact O-CG1 3.22Å; L68-I72 PolarHBondContact O-N 3.02Å; R70-I72 VanDerWaalsContact C-N 3.33Å
73S44.2Very low60.7Low104 Ų104105.1 Ų105.173%0.72754%0.538SS*.SBendtrans-128.227.9-170.7-128.40000116.2
74Q45.9Very low63.1Low181 Ų181100.9 Ų100.985%0.84651%0.508SS*.  trans-110.287.9154.5-73.6-174-500106.4D76Q74-D76 PolarHBondContact O-N 3.45Å
75S61.8Low65.4Low107 Ų10796.6 Ų96.675%0.74849%0.485SS*.  trans-54.9114.8162.252.20000106.3P77S75-P77 VanDerWaalsContact O-CD 3.28Å; S75-P77 WeakPolarHBondContact O-CD 3.34Å
76D75.2Confident67.8Low67 Ų6796 Ų9636%0.35847%0.472SS..  trans-48.9111.3172.3172.82.1000107.7Q74 Y78 A79 H82Q74-D76 PolarHBondContact O-N 3.45Å; D76-Y78 PolarHBondContact O-N 3.01Å; D76-Y78 PolarHBondContact OD1-N 3.46Å; D76-A79 HydrophobicContact CB-CB 4.19Å; D76-A79 VanDerWaalsContact O-CB 3.27Å; D76-A79 WeakPolarHBondContact O-CB 3.44Å; D76-A79 PolarHBondContact O-N 3.5Å; D76-H82 IonicContact OD1-NE2 2.67Å; D76-H82 IonicContact OD2-CD2 3.1Å; D76-H82 PolarHBondContact OD2-CD2 2.93Å; D76-H82 IonicContact OD2-NE2 2.68Å; D76-H82 PolarHBondContact OD2-NE2 3.32Å
77P79.9Confident70.2Confident103 Ų10391.6 Ų91.667%0.66945%0.453SS*.THydrogen-bonded Turntrans-65-10.3-172.927.4-34.5000112S75S75-P77 VanDerWaalsContact O-CD 3.28Å; S75-P77 WeakPolarHBondContact O-CD 3.34Å
78Y88.4Confident72.6Confident71 Ų7182.8 Ų82.828%0.27842%0.42SS..THydrogen-bonded Turntrans-1119.7-178.7-45.1-49.7000112.4Y5 D76 D80 I81 H82Y5-Y78 AromaticContact CD2-CD1 3.72Å; Y5-Y78 HydrophobicContact CD2-CD1 3.72Å; Y5-Y78 HydrophobicContact CD2-CD2 4.29Å; Y5-Y78 AromaticContact CD2-CE1 3.24Å; Y5-Y78 HydrophobicContact CD2-CE1 3.24Å; Y5-Y78 AromaticContact CD2-CE2 3.89Å; Y5-Y78 HydrophobicContact CD2-CE2 3.89Å; Y5-Y78 HydrophobicContact CD2-CG 4.19Å; Y5-Y78 AromaticContact CD2-CZ 3.33Å; Y5-Y78 AromaticContact CE2-CD1 3.28Å; Y5-Y78 HydrophobicContact CE2-CD1 3.28Å; Y5-Y78 HydrophobicContact CE2-CD2 4.5Å; Y5-Y78 AromaticContact CE2-CE1 3.19Å; Y5-Y78 HydrophobicContact CE2-CE1 3.19Å; Y5-Y78 HydrophobicContact CE2-CE2 4.44Å; Y5-Y78 AromaticContact CE2-CG 3.95Å; Y5-Y78 HydrophobicContact CE2-CG 3.95Å; Y5-Y78 AromaticContact CE2-CZ 3.82Å; Y5-Y78 HydrophobicContact CG-CE1 4.44Å; D76-Y78 PolarHBondContact O-N 3.01Å; D76-Y78 PolarHBondContact OD1-N 3.46Å; Y78-D80 VanDerWaalsContact C-N 3.27Å; Y78-D80 PolarHBondContact O-N 3.36Å; Y78-I81 HydrophobicContact CD1-CD1 4.25Å; Y78-I81 WeakPolarHBondContact O-CB 3.33Å; Y78-I81 PolarHBondContact O-N 2.67Å; Y78-H82 PolarHBondContact O-CD2 3.44Å; Y78-H82 VanDerWaalsContact O-CG 3.28Å; Y78-H82 PolarHBondContact O-N 2.81Å
79A91.1Very high75Confident47 Ų4778.6 Ų78.639%0.38840%0.398SS..Hα-helixtrans-54.6-40.7-176.600000113.3D76 R83D76-A79 HydrophobicContact CB-CB 4.19Å; D76-A79 VanDerWaalsContact O-CB 3.27Å; D76-A79 WeakPolarHBondContact O-CB 3.44Å; D76-A79 PolarHBondContact O-N 3.5Å; A79-R83 WeakPolarHBondContact O-CB 3.47Å; A79-R83 PolarHBondContact O-N 3.12Å
80D93.6Very high77.7Confident86 Ų8676 Ų7646%0.4638%0.379SS..Hα-helixtrans-67.5-42.7177.9-69.2-41.4000111.5Y78 R83 V84 V188Y78-D80 VanDerWaalsContact C-N 3.27Å; Y78-D80 PolarHBondContact O-N 3.36Å; D80-R83 PolarHBondContact O-N 2.47Å; D80-R83 IonicContact OD1-CZ 4Å; D80-R83 VanDerWaalsContact OD1-CZ 3.24Å; D80-R83 IonicContact OD1-NH1 3.66Å; D80-R83 PolarHBondContact OD1-NH1 3.33Å; D80-R83 IonicContact OD1-NH2 3.98Å; D80-R83 PolarHBondContact OD1-NH2 3.41Å; D80-R83 VanDerWaalsContact OD1-NH2 3.08Å; D80-V84 WeakPolarHBondContact O-CB 3.43Å; D80-V84 WeakPolarHBondContact O-CG2 3.37Å; D80-V84 PolarHBondContact O-N 3.22Å; D80-V188 HydrophobicContact CB-CG1 4.07Å; D80-V188 HydrophobicContact CB-CG2 4.4Å
81I95.6Very high80.3Confident5 Ų568 Ų683%0.02635%0.35CS..Hα-helixtrans-61.5-48.3176.3-58.6165.8000109.7Y5 I9 Y78 R83 V84 L85 W184 V188Y5-I81 HydrophobicContact CE2-CD1 4.12Å; Y5-I81 WeakPolarHBondContact OH-CD1 3.03Å; I9-I81 HydrophobicContact CD1-CG2 4.03Å; I9-I81 HydrophobicContact CG1-CG2 4.3Å; I9-I81 HydrophobicContact CG2-CG2 4.49Å; Y78-I81 HydrophobicContact CD1-CD1 4.25Å; Y78-I81 WeakPolarHBondContact O-CB 3.33Å; Y78-I81 PolarHBondContact O-N 2.67Å; I81-R83 VanDerWaalsContact C-N 3.33Å; I81-R83 PolarHBondContact O-N 3.46Å; I81-V84 PolarHBondContact O-N 2.97Å; I81-L85 WeakPolarHBondContact O-CB 3.25Å; I81-L85 PolarHBondContact O-N 3.29Å; I81-W184 HydrophobicContact CD1-CB 3.6Å; I81-W184 HydrophobicContact CD1-CG 4.39Å; I81-W184 HydrophobicContact CG1-CB 3.96Å; I81-W184 HydrophobicContact CG2-CB 4.18Å; I81-W184 HydrophobicContact CG2-CD2 4.25Å; I81-W184 HydrophobicContact CG2-CE3 4.03Å; I81-W184 HydrophobicContact CG2-CG 4.36Å; I81-V188 HydrophobicContact CB-CG2 4.29Å; I81-V188 HydrophobicContact CG1-CG2 3.75Å
82H95.5Very high82.5Confident3 Ų358 Ų581%0.01431%0.313CS..Hα-helixtrans-61.5-39.6177.1-62.1-40.3000112.4N8 N12 D76 Y78 R86N8-H82 PolarHBondContact OD1-CE1 2.81Å; N8-H82 PolarHBondContact OD1-NE2 2.93Å; N12-H82 VanDerWaalsContact CB-CE1 3.41Å; N12-H82 WeakPolarHBondContact CB-CE1 2.87Å; N12-H82 WeakPolarHBondContact CB-ND1 3.07Å; N12-H82 VanDerWaalsContact CG-CG 3.42Å; N12-H82 PolarHBondContact ND2-CD2 2.68Å; N12-H82 VanDerWaalsContact ND2-CD2 3.26Å; N12-H82 PolarHBondContact ND2-NE2 2.99Å; D76-H82 IonicContact OD1-NE2 2.67Å; D76-H82 IonicContact OD2-CD2 3.1Å; D76-H82 PolarHBondContact OD2-CD2 2.93Å; D76-H82 IonicContact OD2-NE2 2.68Å; D76-H82 PolarHBondContact OD2-NE2 3.32Å; Y78-H82 PolarHBondContact O-CD2 3.44Å; Y78-H82 VanDerWaalsContact O-CG 3.28Å; Y78-H82 PolarHBondContact O-N 2.81Å; H82-R86 VanDerWaalsContact O-CB 3.31Å; H82-R86 WeakPolarHBondContact O-CB 3.08Å; H82-R86 WeakPolarHBondContact O-CG 2.97Å; H82-R86 PolarHBondContact O-N 3.4Å; H82-R86 PolarHBondContact O-NE 2.87Å
83R95.1Very high84.4Confident90 Ų9053 Ų5334%0.3429%0.286SS..Hα-helixtrans-62.1-57.3174.8177.9-170.664.9-119.7-0.4110.2A79 D80 I81 L85 R86 D87 D192A79-R83 WeakPolarHBondContact O-CB 3.47Å; A79-R83 PolarHBondContact O-N 3.12Å; D80-R83 PolarHBondContact O-N 2.47Å; D80-R83 IonicContact OD1-CZ 4Å; D80-R83 VanDerWaalsContact OD1-CZ 3.24Å; D80-R83 IonicContact OD1-NH1 3.66Å; D80-R83 PolarHBondContact OD1-NH1 3.33Å; D80-R83 IonicContact OD1-NH2 3.98Å; D80-R83 PolarHBondContact OD1-NH2 3.41Å; D80-R83 VanDerWaalsContact OD1-NH2 3.08Å; I81-R83 VanDerWaalsContact C-N 3.33Å; I81-R83 PolarHBondContact O-N 3.46Å; R83-L85 PolarHBondContact O-N 3.02Å; R83-R86 PolarHBondContact O-N 3.39Å; R83-D87 PolarHBondContact O-N 2.89Å; R83-D192 IonicContact NH2-OD2 3.15Å; R83-D192 PolarHBondContact NH2-OD2 3.17Å
84V94.3Very high86.3Confident0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-61.5-44.1-173.7168.30000111.4D80 I81 R86 D87 A88 F187 V188 Y191D80-V84 WeakPolarHBondContact O-CB 3.43Å; D80-V84 WeakPolarHBondContact O-CG2 3.37Å; D80-V84 PolarHBondContact O-N 3.22Å; I81-V84 PolarHBondContact O-N 2.97Å; V84-R86 VanDerWaalsContact C-N 3.34Å; V84-R86 PolarHBondContact O-N 3.39Å; V84-D87 PolarHBondContact O-N 3.46Å; V84-A88 VanDerWaalsContact O-CB 3.28Å; V84-A88 WeakPolarHBondContact O-CB 3.33Å; V84-A88 PolarHBondContact O-N 2.72Å; V84-F187 HydrophobicContact CB-CE1 4.32Å; V84-F187 HydrophobicContact CG1-CD1 4.1Å; V84-F187 HydrophobicContact CG1-CE1 3.51Å; V84-F187 HydrophobicContact CG1-CZ 3.8Å; V84-V188 HydrophobicContact CB-CG2 4.32Å; V84-V188 HydrophobicContact CG2-CB 4.45Å; V84-V188 HydrophobicContact CG2-CG1 4.12Å; V84-V188 HydrophobicContact CG2-CG2 4.23Å; V84-Y191 HydrophobicContact CB-CD1 4.46Å; V84-Y191 VanDerWaalsContact CG1-CB 3.41Å; V84-Y191 HydrophobicContact CG1-CD1 3.63Å; V84-Y191 HydrophobicContact CG1-CD2 4.15Å; V84-Y191 HydrophobicContact CG1-CE1 4.38Å; V84-Y191 HydrophobicContact CG1-CG 3.47Å; V84-Y191 VanDerWaalsContact CG1-CG 3.47Å; V84-Y191 HydrophobicContact CG2-CD1 4.36Å
85L95.1Very high87.8Confident2 Ų251.8 Ų51.81%0.0127%0.27CS..Hα-helixtrans-63.5-41.8179.6-170.662.7000111.4I9 Y13 I81 R83 A88 G89 I136 F139 W184 F187I9-L85 HydrophobicContact CG2-CD2 3.65Å; Y13-L85 HydrophobicContact CD2-CB 4.42Å; Y13-L85 HydrophobicContact CD2-CD2 3.81Å; Y13-L85 HydrophobicContact CD2-CG 3.72Å; Y13-L85 HydrophobicContact CE2-CD2 4.29Å; Y13-L85 HydrophobicContact CE2-CG 3.74Å; Y13-L85 WeakPolarHBondContact CE2-O 3.34Å; Y13-L85 HydrophobicContact CG-CD2 4.39Å; I81-L85 WeakPolarHBondContact O-CB 3.25Å; I81-L85 PolarHBondContact O-N 3.29Å; R83-L85 PolarHBondContact O-N 3.02Å; L85-A88 PolarHBondContact O-N 3.33Å; L85-G89 PolarHBondContact O-N 3.44Å; L85-I136 HydrophobicContact CD1-CG1 4.21Å; L85-F139 HydrophobicContact CD1-CD2 4.29Å; L85-F139 HydrophobicContact CD1-CG 4.37Å; L85-F139 HydrophobicContact CD2-CD1 3.74Å; L85-F139 HydrophobicContact CD2-CD2 4.27Å; L85-F139 HydrophobicContact CD2-CE1 3.61Å; L85-F139 HydrophobicContact CD2-CE2 4.21Å; L85-F139 HydrophobicContact CD2-CG 4.05Å; L85-F139 HydrophobicContact CD2-CZ 3.86Å; L85-W184 HydrophobicContact CD1-CZ3 4.43Å; L85-F187 HydrophobicContact CB-CE1 4.26Å; L85-F187 HydrophobicContact CD1-CE1 4.14Å; L85-F187 HydrophobicContact CD1-CZ 4.15Å
86R95.4Very high88.4Confident79 Ų7947.4 Ų47.430%0.29824%0.237SC..Hα-helixtrans-65.5-44.5175.7-72.3-177.4-63.7-177.75.3112.4Y13 H16 H82 R83 V84 A88 G89 D90Y13-R86 HydrophobicContact CD2-CG 4.15Å; Y13-R86 HydrophobicContact CE2-CG 4.45Å; H16-R86 HydrophobicContact CB-CG 4.17Å; H16-R86 VanDerWaalsContact CD2-CD 3.46Å; H16-R86 WeakPolarHBondContact CD2-CD 3.2Å; H16-R86 WeakPolarHBondContact ND1-CD 3.35Å; H82-R86 VanDerWaalsContact O-CB 3.31Å; H82-R86 WeakPolarHBondContact O-CB 3.08Å; H82-R86 WeakPolarHBondContact O-CG 2.97Å; H82-R86 PolarHBondContact O-N 3.4Å; H82-R86 PolarHBondContact O-NE 2.87Å; R83-R86 PolarHBondContact O-N 3.39Å; V84-R86 VanDerWaalsContact C-N 3.34Å; V84-R86 PolarHBondContact O-N 3.39Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.4Å; R86-G89 PolarHBondContact O-N 3.07Å; R86-D90 VanDerWaalsContact O-CB 3.25Å; R86-D90 WeakPolarHBondContact O-CB 3.12Å; R86-D90 PolarHBondContact O-N 3.29Å
87D92.7Very high88.3Confident60 Ų6050.1 Ų50.132%0.32125%0.248SC..Hα-helixtrans-58-49175.3-85.418.9000110.5R83 V84 G89 D90 E91 Y191 K195R83-D87 PolarHBondContact O-N 2.89Å; V84-D87 PolarHBondContact O-N 3.46Å; D87-G89 PolarHBondContact O-N 3.22Å; D87-D90 PolarHBondContact O-N 2.85Å; D87-E91 WeakPolarHBondContact O-CG 3.3Å; D87-E91 PolarHBondContact O-N 3.32Å; D87-Y191 HydrophobicContact CB-CE1 4.15Å; D87-K195 IonicContact OD2-NZ 2.78Å; D87-K195 PolarHBondContact OD2-NZ 3.47Å; D87-K195 VanDerWaalsContact OD2-NZ 3.1Å
88A90.1Very high88Confident1 Ų152.2 Ų52.21%0.00825%0.252CS..Hα-helixtrans-63-44.1-179.800000112.5V84 L85 R86 E91 L92 I136 Y191V84-A88 VanDerWaalsContact O-CB 3.28Å; V84-A88 WeakPolarHBondContact O-CB 3.33Å; V84-A88 PolarHBondContact O-N 2.72Å; L85-A88 PolarHBondContact O-N 3.33Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.4Å; A88-E91 PolarHBondContact O-N 3.17Å; A88-L92 WeakPolarHBondContact O-CB 3.39Å; A88-L92 PolarHBondContact O-N 3.37Å; A88-I136 HydrophobicContact CB-CD1 3.71Å; A88-I136 HydrophobicContact CB-CG1 4.1Å; A88-I136 HydrophobicContact CB-CG2 4.14Å; A88-Y191 VanDerWaalsContact CA-OH 3.27Å; A88-Y191 WeakPolarHBondContact CA-OH 3.32Å; A88-Y191 HydrophobicContact CB-CD2 4.14Å; A88-Y191 HydrophobicContact CB-CE2 3.42Å; A88-Y191 VanDerWaalsContact CB-CE2 3.42Å; A88-Y191 PolarHBondContact N-OH 3.18Å
89G91.2Very high87.2Confident0 Ų051.5 Ų51.50%025%0.253CS..Hα-helixtrans-63.8-42.5176.200000113.1Y13 L85 R86 D87 E91 L92 E93 E140Y13-G89 VanDerWaalsContact OH-CA 3.3Å; Y13-G89 WeakPolarHBondContact OH-CA 3.26Å; L85-G89 PolarHBondContact O-N 3.44Å; R86-G89 PolarHBondContact O-N 3.07Å; D87-G89 PolarHBondContact O-N 3.22Å; G89-E91 VanDerWaalsContact C-N 3.33Å; G89-E91 PolarHBondContact O-N 2.99Å; G89-L92 WeakPolarHBondContact O-CB 3.37Å; G89-L92 PolarHBondContact O-N 3.23Å; G89-L92 VanDerWaalsContact O-N 3.16Å; G89-E93 WeakPolarHBondContact O-CB 3.45Å; G89-E93 PolarHBondContact O-N 2.85Å; G89-E140 VanDerWaalsContact C-OE1 3.31Å; G89-E140 VanDerWaalsContact CA-OE1 3.26Å; G89-E140 WeakPolarHBondContact CA-OE1 3.42Å; G89-E140 VanDerWaalsContact O-CD 3.24Å
90D90.6Very high86.2Confident32 Ų3249.7 Ų49.717%0.17124%0.236CC..Hα-helixtrans-66.9-34.5178-84.710.4000112.7H16 K17 K20 R86 D87 K94H16-D90 IonicContact NE2-OD1 3.88Å; H16-D90 IonicContact NE2-OD2 2.63Å; K17-D90 IonicContact NZ-OD1 3.16Å; K20-D90 IonicContact NZ-OD1 3.34Å; K20-D90 PolarHBondContact NZ-OD1 3.25Å; K20-D90 IonicContact NZ-OD2 2.75Å; K20-D90 PolarHBondContact NZ-OD2 3.09Å; R86-D90 VanDerWaalsContact O-CB 3.25Å; R86-D90 WeakPolarHBondContact O-CB 3.12Å; R86-D90 PolarHBondContact O-N 3.29Å; D87-D90 PolarHBondContact O-N 2.85Å; D90-K94 WeakPolarHBondContact O-CD 3.25Å; D90-K94 WeakPolarHBondContact O-CG 3.39Å; D90-K94 PolarHBondContact O-N 2.91Å
91E87Confident85Confident46 Ų4648.5 Ų48.522%0.21523%0.232CC..Hα-helixtrans-69.2-39.9171-70.4-179-14200111.1D87 A88 G89 K94 L95 Y191 K195 F199D87-E91 WeakPolarHBondContact O-CG 3.3Å; D87-E91 PolarHBondContact O-N 3.32Å; A88-E91 PolarHBondContact O-N 3.17Å; G89-E91 VanDerWaalsContact C-N 3.33Å; G89-E91 PolarHBondContact O-N 2.99Å; E91-K94 PolarHBondContact O-N 2.87Å; E91-L95 WeakPolarHBondContact O-CG 3.39Å; E91-L95 PolarHBondContact O-N 3.19Å; E91-Y191 PolarHBondContact OE1-OH 3.41Å; E91-K195 WeakPolarHBondContact OE1-CE 3.25Å; E91-K195 IonicContact OE1-NZ 2.63Å; E91-F199 HydrophobicContact CB-CE1 3.49Å; E91-F199 VanDerWaalsContact CB-CE1 3.49Å; E91-F199 HydrophobicContact CB-CZ 3.59Å; E91-F199 VanDerWaalsContact CD-CZ 3.42Å; E91-F199 HydrophobicContact CG-CE1 4.41Å; E91-F199 HydrophobicContact CG-CZ 4.08Å; E91-F199 WeakPolarHBondContact OE2-CE1 3.44Å; E91-F199 WeakPolarHBondContact OE2-CE2 3.17Å; E91-F199 WeakPolarHBondContact OE2-CZ 3.44Å
92L84.7Confident83.8Confident1 Ų152.4 Ų52.41%0.00525%0.251CS..Hα-helixtrans-61.2-48175.1-179.460.5000112A88 G89 K94 L95 Y96 F100 I136 A137 E140 W203 I206A88-L92 WeakPolarHBondContact O-CB 3.39Å; A88-L92 PolarHBondContact O-N 3.37Å; G89-L92 WeakPolarHBondContact O-CB 3.37Å; G89-L92 PolarHBondContact O-N 3.23Å; G89-L92 VanDerWaalsContact O-N 3.16Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 2.89Å; L92-L95 PolarHBondContact O-N 3Å; L92-Y96 HydrophobicContact CD1-CD2 3.44Å; L92-Y96 VanDerWaalsContact CD1-CD2 3.44Å; L92-Y96 HydrophobicContact CD1-CE2 3.64Å; L92-Y96 PolarHBondContact O-N 3.45Å; L92-F100 HydrophobicContact CD1-CE2 4.46Å; L92-F100 HydrophobicContact CD2-CZ 4.04Å; L92-F100 HydrophobicContact CG-CE2 3.95Å; L92-F100 HydrophobicContact CG-CZ 3.98Å; L92-I136 HydrophobicContact CB-CG2 4.35Å; L92-I136 HydrophobicContact CD2-CB 4.46Å; L92-I136 HydrophobicContact CD2-CG2 3.77Å; L92-A137 HydrophobicContact CD2-CB 4.05Å; L92-E140 HydrophobicContact CB-CG 4.14Å; L92-E140 HydrophobicContact CD2-CB 4.04Å; L92-E140 HydrophobicContact CD2-CG 3.66Å; L92-E140 HydrophobicContact CG-CG 4.01Å; L92-W203 HydrophobicContact CB-CH2 4.43Å; L92-W203 HydrophobicContact CB-CZ3 4.23Å; L92-W203 HydrophobicContact CD1-CE3 4.23Å; L92-W203 HydrophobicContact CD1-CH2 3.37Å; L92-W203 HydrophobicContact CD1-CZ2 4.43Å; L92-W203 HydrophobicContact CD1-CZ3 3.26Å; L92-W203 HydrophobicContact CG-CH2 4.45Å; L92-W203 HydrophobicContact CG-CZ3 4.33Å; L92-I206 HydrophobicContact CD1-CD1 3.95Å; L92-I206 HydrophobicContact CD1-CG2 3.81Å
93E85.3Confident82.4Confident28 Ų2853 Ų5313%0.13125%0.253CS..Hα-helixtrans-58.2-43.2177.7-173.4178.3-165.300111.5K17 K20 R21 G89 L95 Q97K17-E93 VanDerWaalsContact NZ-CD 3.31Å; K17-E93 IonicContact NZ-OE1 3.4Å; K17-E93 IonicContact NZ-OE2 2.77Å; K17-E93 PolarHBondContact NZ-OE2 2.77Å; K20-E93 IonicContact NZ-OE2 3.69Å; K20-E93 PolarHBondContact NZ-OE2 2.9Å; R21-E93 IonicContact CZ-OE1 3.95Å; R21-E93 IonicContact NE-OE1 3.67Å; R21-E93 IonicContact NH2-OE1 3.75Å; R21-E93 PolarHBondContact NH2-OE1 3.14Å; G89-E93 WeakPolarHBondContact O-CB 3.45Å; G89-E93 PolarHBondContact O-N 2.85Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.32Å; E93-Q97 VanDerWaalsContact O-CA 3.27Å; E93-Q97 WeakPolarHBondContact O-CA 3.37Å; E93-Q97 WeakPolarHBondContact O-CB 3.41Å; E93-Q97 PolarHBondContact O-N 3.17Å
94K84.4Confident81.2Confident152 Ų15249.3 Ų49.366%0.66124%0.241SC*.Hα-helixtrans-62-34.9-179.2-77166.3-168.5163.50112.9D90 E91 L92D90-K94 WeakPolarHBondContact O-CD 3.25Å; D90-K94 WeakPolarHBondContact O-CG 3.39Å; D90-K94 PolarHBondContact O-N 2.91Å; E91-K94 PolarHBondContact O-N 2.87Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 2.89Å
95L77.8Confident79.9Confident107 Ų10755.5 Ų55.556%0.5627%0.27SS*.Hα-helixtrans-91.6-25.8-172-64.7165.6000113.2E91 L92 E93 W203E91-L95 WeakPolarHBondContact O-CG 3.39Å; E91-L95 PolarHBondContact O-N 3.19Å; L92-L95 PolarHBondContact O-N 3Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 3.32Å; L95-W203 HydrophobicContact CB-CH2 3.47Å; L95-W203 VanDerWaalsContact CB-CH2 3.47Å; L95-W203 HydrophobicContact CB-CZ2 3.18Å; L95-W203 HydrophobicContact CD1-CH2 3.28Å; L95-W203 HydrophobicContact CD1-CZ2 3.24Å; L95-W203 HydrophobicContact CD1-CZ3 3.97Å; L95-W203 HydrophobicContact CG-CH2 3.95Å; L95-W203 HydrophobicContact CG-CZ2 3.79Å
96Y73.8Confident78.5Confident16 Ų1658.8 Ų58.86%0.06329%0.286CS..SBendtrans-119.930.3177.3-61.3-69000113.3L92 L98 D99 F100 W203 I206 K207L92-Y96 HydrophobicContact CD1-CD2 3.44Å; L92-Y96 VanDerWaalsContact CD1-CD2 3.44Å; L92-Y96 HydrophobicContact CD1-CE2 3.64Å; L92-Y96 PolarHBondContact O-N 3.45Å; Y96-L98 PolarHBondContact O-N 3.26Å; Y96-L98 VanDerWaalsContact O-N 3.1Å; Y96-D99 WeakPolarHBondContact CD1-OD2 3.46Å; Y96-D99 PolarHBondContact O-N 2.9Å; Y96-F100 VanDerWaalsContact O-CD2 3.3Å; Y96-F100 WeakPolarHBondContact O-CD2 3.31Å; Y96-F100 PolarHBondContact O-N 2.8Å; Y96-W203 AromaticContact CD2-CH2 3.46Å; Y96-W203 HydrophobicContact CD2-CH2 3.46Å; Y96-W203 VanDerWaalsContact CD2-CH2 3.46Å; Y96-W203 AromaticContact CD2-CZ2 3.41Å; Y96-W203 HydrophobicContact CD2-CZ2 3.41Å; Y96-W203 VanDerWaalsContact CD2-CZ2 3.41Å; Y96-W203 HydrophobicContact CD2-CZ3 4.38Å; Y96-W203 HydrophobicContact CE1-CZ2 4.19Å; Y96-W203 AromaticContact CE2-CD2 3.95Å; Y96-W203 HydrophobicContact CE2-CD2 3.95Å; Y96-W203 AromaticContact CE2-CE2 3.32Å; Y96-W203 HydrophobicContact CE2-CE3 4.17Å; Y96-W203 AromaticContact CE2-CH2 3.12Å; Y96-W203 HydrophobicContact CE2-CH2 3.12Å; Y96-W203 AromaticContact CE2-CZ2 2.81Å; Y96-W203 HydrophobicContact CE2-CZ2 2.81Å; Y96-W203 AromaticContact CE2-CZ3 3.84Å; Y96-W203 HydrophobicContact CE2-CZ3 3.84Å; Y96-W203 HydrophobicContact CG-CZ2 4.3Å; Y96-W203 AromaticContact CZ-CE2 3.37Å; Y96-W203 AromaticContact CZ-CZ2 3.25Å; Y96-W203 AromaticContact CZ-NE1 3.57Å; Y96-W203 VanDerWaalsContact OH-CD1 3.3Å; Y96-W203 WeakPolarHBondContact OH-CZ2 3.21Å; Y96-W203 PolarHBondContact OH-NE1 3.3Å; Y96-I206 HydrophobicContact CD2-CG2 4.12Å; Y96-I206 HydrophobicContact CE2-CB 4.3Å; Y96-I206 HydrophobicContact CE2-CG2 3.44Å; Y96-I206 VanDerWaalsContact CE2-CG2 3.44Å; Y96-K207 HydrophobicContact CE1-CG 3.93Å; Y96-K207 WeakPolarHBondContact OH-CE 3.39Å; Y96-K207 WeakPolarHBondContact OH-CG 3.29Å
97Q73.6Confident77.3Confident124 Ų12456.1 Ų56.158%0.57928%0.277SS*.Hα-helixtrans-51.7-40.2-175.8-170.4-177.71.700112.4E93 V101E93-Q97 VanDerWaalsContact O-CA 3.27Å; E93-Q97 WeakPolarHBondContact O-CA 3.37Å; E93-Q97 WeakPolarHBondContact O-CB 3.41Å; E93-Q97 PolarHBondContact O-N 3.17Å; Q97-V101 VanDerWaalsContact O-CG2 3.22Å; Q97-V101 WeakPolarHBondContact O-CG2 3.36Å; Q97-V101 PolarHBondContact O-N 3.13Å
98L71.8Confident76.1Confident146 Ų14662.6 Ų62.676%0.76430%0.299SS*.Hα-helixtrans-68.8-44.4178.9-66.6176.2000112Y96 F100 V101 E102Y96-L98 PolarHBondContact O-N 3.26Å; Y96-L98 VanDerWaalsContact O-N 3.1Å; L98-F100 PolarHBondContact O-N 3.01Å; L98-V101 PolarHBondContact O-N 3.45Å; L98-E102 WeakPolarHBondContact O-CB 3.48Å; L98-E102 PolarHBondContact O-N 3.38Å
99D72Confident75.3Confident57 Ų5763.9 Ų63.931%0.30531%0.305SS..Hα-helixtrans-65.8-37.7-179-50.4-91.1000112Y96 E102 M103 F210Y96-D99 WeakPolarHBondContact CD1-OD2 3.46Å; Y96-D99 PolarHBondContact O-N 2.9Å; D99-E102 PolarHBondContact O-N 2.96Å; D99-M103 WeakPolarHBondContact O-CB 3.25Å; D99-M103 PolarHBondContact O-N 2.93Å; D99-F210 HydrophobicContact CB-CB 4.32Å; D99-F210 HydrophobicContact CB-CD1 3.86Å; D99-F210 HydrophobicContact CB-CG 4.36Å
100F69.8Low74.6Confident8 Ų867.2 Ų67.24%0.03533%0.325CS..Hα-helixtrans-66.4-39.5175.3-81.5-71.4000112.6L92 Y96 L98 S104 E140 F210L92-F100 HydrophobicContact CD1-CE2 4.46Å; L92-F100 HydrophobicContact CD2-CZ 4.04Å; L92-F100 HydrophobicContact CG-CE2 3.95Å; L92-F100 HydrophobicContact CG-CZ 3.98Å; Y96-F100 VanDerWaalsContact O-CD2 3.3Å; Y96-F100 WeakPolarHBondContact O-CD2 3.31Å; Y96-F100 PolarHBondContact O-N 2.8Å; L98-F100 PolarHBondContact O-N 3.01Å; F100-S104 WeakPolarHBondContact O-CB 3.47Å; F100-S104 PolarHBondContact O-N 3.34Å; F100-E140 HydrophobicContact CE1-CB 3.5Å; F100-E140 VanDerWaalsContact CE1-CB 3.5Å; F100-E140 HydrophobicContact CE2-CB 4.33Å; F100-E140 HydrophobicContact CZ-CB 3.37Å; F100-E140 HydrophobicContact CZ-CG 4.03Å; F100-F210 AromaticContact CD1-CE1 3.67Å; F100-F210 HydrophobicContact CD1-CE1 3.67Å; F100-F210 AromaticContact CD1-CZ 4Å; F100-F210 HydrophobicContact CD1-CZ 4Å; F100-F210 HydrophobicContact CD2-CE1 4.24Å; F100-F210 HydrophobicContact CD2-CZ 4.48Å; F100-F210 AromaticContact CE1-CE1 3.4Å; F100-F210 HydrophobicContact CE1-CE1 3.4Å; F100-F210 VanDerWaalsContact CE1-CE1 3.4Å; F100-F210 HydrophobicContact CE1-CE2 4.44Å; F100-F210 AromaticContact CE1-CZ 3.23Å; F100-F210 HydrophobicContact CE1-CZ 3.23Å; F100-F210 HydrophobicContact CE2-CE1 4.01Å; F100-F210 HydrophobicContact CE2-CE2 4.49Å; F100-F210 AromaticContact CE2-CZ 3.8Å; F100-F210 HydrophobicContact CE2-CZ 3.8Å; F100-F210 HydrophobicContact CG-CE1 4.08Å; F100-F210 AromaticContact CZ-CE1 3.59Å; F100-F210 HydrophobicContact CZ-CE1 3.59Å; F100-F210 AromaticContact CZ-CE2 3.98Å; F100-F210 HydrophobicContact CZ-CE2 3.98Å; F100-F210 AromaticContact CZ-CZ 3.1Å; F100-F210 HydrophobicContact CZ-CZ 3.1Å
101V69.9Low74Confident61 Ų6172.5 Ų72.537%0.3734%0.343SS..Hα-helixtrans-67.6-42176.3170.60000110.7Q97 L98 S104 Q105Q97-V101 VanDerWaalsContact O-CG2 3.22Å; Q97-V101 WeakPolarHBondContact O-CG2 3.36Å; Q97-V101 PolarHBondContact O-N 3.13Å; L98-V101 PolarHBondContact O-N 3.45Å; V101-S104 PolarHBondContact O-OG 3.03Å; V101-S104 VanDerWaalsContact O-OG 3.08Å; V101-Q105 VanDerWaalsContact O-CG 3.24Å; V101-Q105 WeakPolarHBondContact O-CG 3.36Å; V101-Q105 PolarHBondContact O-N 2.87Å
102E69.6Low73.7Confident88 Ų8877.3 Ų77.341%0.41137%0.37SS..Hα-helixtrans-65.4-45.7176.6-178169.5-170.800111.2L98 D99 S104 Q105 Q106L98-E102 WeakPolarHBondContact O-CB 3.48Å; L98-E102 PolarHBondContact O-N 3.38Å; D99-E102 PolarHBondContact O-N 2.96Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.35Å; E102-Q105 PolarHBondContact O-N 3.24Å; E102-Q106 HydrophobicContact CG-CG 4.27Å; E102-Q106 WeakPolarHBondContact O-CG 3.46Å; E102-Q106 PolarHBondContact O-N 2.77Å; E102-Q106 PolarHBondContact OE1-NE2 3.04Å; E102-Q106 VanDerWaalsContact OE1-NE2 3.07Å
103M67.2Low73.7Confident14 Ų1479.6 Ų79.67%0.06938%0.384CS..Hα-helixtrans-61.2-42.1178.1-172.4-178.4-53.100112D99 Q105 Q106 L107 V121 F141 F210 A213D99-M103 WeakPolarHBondContact O-CB 3.25Å; D99-M103 PolarHBondContact O-N 2.93Å; M103-Q105 VanDerWaalsContact C-N 3.27Å; M103-Q105 PolarHBondContact O-N 3.21Å; M103-Q106 PolarHBondContact O-N 2.94Å; M103-L107 WeakPolarHBondContact O-CB 3.35Å; M103-L107 PolarHBondContact O-N 3.27Å; M103-V121 HydrophobicContact SD-CG1 4.49Å; M103-F141 HydrophobicContact CG-CD2 4.23Å; M103-F141 HydrophobicContact CG-CE2 4.02Å; M103-F141 HydrophobicContact SD-CD2 3.34Å; M103-F141 WeakPolarHBondContact SD-CD2 3.18Å; M103-F141 HydrophobicContact SD-CE2 3.61Å; M103-F141 HydrophobicContact SD-CG 4.39Å; M103-F210 HydrophobicContact CE-CD1 3.12Å; M103-F210 HydrophobicContact CE-CE1 3.22Å; M103-F210 HydrophobicContact CE-CG 4.08Å; M103-F210 HydrophobicContact CE-CZ 4.24Å; M103-F210 HydrophobicContact SD-CE1 4.22Å; M103-A213 HydrophobicContact CE-CB 3.51Å; M103-A213 HydrophobicContact SD-CB 4.24Å
104S68.3Low73.6Confident13 Ų1378.4 Ų78.49%0.09138%0.379CS..Hα-helixtrans-64.7-32.8178.283.70000112.4F100 V101 E102 E148F100-S104 WeakPolarHBondContact O-CB 3.47Å; F100-S104 PolarHBondContact O-N 3.34Å; V101-S104 PolarHBondContact O-OG 3.03Å; V101-S104 VanDerWaalsContact O-OG 3.08Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 3.35Å; S104-E148 PolarHBondContact OG-OE1 2.9Å
105Q67.8Low73.6Confident131 Ų13177.7 Ų77.761%0.61237%0.372SS*.Hα-helixtrans-75.9-38.2175.6-71172.715.900113.2V101 E102 M103 L107V101-Q105 VanDerWaalsContact O-CG 3.24Å; V101-Q105 WeakPolarHBondContact O-CG 3.36Å; V101-Q105 PolarHBondContact O-N 2.87Å; E102-Q105 PolarHBondContact O-N 3.24Å; M103-Q105 VanDerWaalsContact C-N 3.27Å; M103-Q105 PolarHBondContact O-N 3.21Å; Q105-L107 VanDerWaalsContact C-N 3.3Å
106Q66.1Low74Confident71 Ų7176.6 Ų76.633%0.33237%0.37SS..Hα-helixtrans-72.1-26.8178-71.4-177.1-0.700112.4E102 M103 Y108 A213E102-Q106 HydrophobicContact CG-CG 4.27Å; E102-Q106 WeakPolarHBondContact O-CG 3.46Å; E102-Q106 PolarHBondContact O-N 2.77Å; E102-Q106 PolarHBondContact OE1-NE2 3.04Å; E102-Q106 VanDerWaalsContact OE1-NE2 3.07Å; M103-Q106 PolarHBondContact O-N 2.94Å; Q106-Y108 VanDerWaalsContact C-N 3.26Å; Q106-Y108 WeakPolarHBondContact O-CD2 3.29Å; Q106-Y108 PolarHBondContact O-N 3.04Å; Q106-A213 PolarHBondContact OE1-O 3.3Å
107L70.1Confident74.5Confident23 Ų2380.6 Ų80.612%0.1239%0.385CS..SBendtrans-71.782.6173.7-159.986.6000109.1M103 Q105 L109 R117 V121 F141 V145M103-L107 WeakPolarHBondContact O-CB 3.35Å; M103-L107 PolarHBondContact O-N 3.27Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; L107-L109 HydrophobicContact CB-CG 4.49Å; L107-L109 HydrophobicContact CD2-CD1 3.33Å; L107-L109 HydrophobicContact CD2-CD2 3.71Å; L107-L109 HydrophobicContact CD2-CG 3.46Å; L107-L109 VanDerWaalsContact CD2-CG 3.46Å; L107-L109 HydrophobicContact CG-CD1 4.14Å; L107-L109 HydrophobicContact CG-CD2 3.88Å; L107-L109 HydrophobicContact CG-CG 3.7Å; L107-L109 PolarHBondContact O-N 2.97Å; L107-R117 HydrophobicContact CD1-CB 4.36Å; L107-V121 HydrophobicContact CD1-CG2 3.71Å; L107-F141 HydrophobicContact CD1-CE2 4.32Å; L107-F141 HydrophobicContact CD1-CZ 3.92Å; L107-F141 HydrophobicContact CD2-CE2 4.15Å; L107-F141 HydrophobicContact CD2-CZ 3.83Å; L107-V145 HydrophobicContact CD2-CG1 4.28Å; L107-V145 HydrophobicContact CD2-CG2 3.55Å
108Y68.2Low75Confident196 Ų19675 Ų7577%0.76936%0.359SS*.  trans-64.683.6170.6-69.4-77.8000110.1Q106Q106-Y108 VanDerWaalsContact C-N 3.26Å; Q106-Y108 WeakPolarHBondContact O-CD2 3.29Å; Q106-Y108 PolarHBondContact O-N 3.04Å
109L72.1Confident75.7Confident27 Ų2769.9 Ų69.914%0.14134%0.338CS..  trans-87.5122174.8-67.8175.3000110.1L107 A114 R117 V145L107-L109 HydrophobicContact CB-CG 4.49Å; L107-L109 HydrophobicContact CD2-CD1 3.33Å; L107-L109 HydrophobicContact CD2-CD2 3.71Å; L107-L109 HydrophobicContact CD2-CG 3.46Å; L107-L109 VanDerWaalsContact CD2-CG 3.46Å; L107-L109 HydrophobicContact CG-CD1 4.14Å; L107-L109 HydrophobicContact CG-CD2 3.88Å; L107-L109 HydrophobicContact CG-CG 3.7Å; L107-L109 PolarHBondContact O-N 2.97Å; L109-A114 HydrophobicContact CD2-CB 3.9Å; L109-R117 HydrophobicContact CD2-CB 3.93Å; L109-V145 HydrophobicContact CD1-CB 4.5Å; L109-V145 HydrophobicContact CD1-CG1 3.22Å
110T77.4Confident76.2Confident70 Ų7071.3 Ų71.343%0.42934%0.342SS..  trans-112.1164.6157.370.30000108D112 T113 A114T110-D112 PolarHBondContact O-N 3.31Å; T110-D112 VanDerWaalsContact O-N 3.13Å; T110-T113 PolarHBondContact N-OG1 3.36Å; T110-T113 PolarHBondContact O-N 2.92Å; T110-T113 PolarHBondContact OG1-N 3.36Å; T110-T113 PolarHBondContact OG1-OG1 3.14Å; T110-T113 VanDerWaalsContact OG1-OG1 3.07Å; T110-A114 VanDerWaalsContact O-CB 3.27Å; T110-A114 WeakPolarHBondContact O-CB 3.49Å; T110-A114 PolarHBondContact O-N 2.9Å
111R77.8Confident76.8Confident144 Ų14472.7 Ų72.754%0.54335%0.351SS..THydrogen-bonded Turntrans-53.1-36.9178.8-172.9179.9-66.7155.3-1.5112.1E154 M155R111-E154 PolarHBondContact NH2-O 3.47Å; R111-M155 HydrophobicContact CB-CE 3.98Å
112D81Confident77.6Confident146 Ų14669.8 Ų69.878%0.78133%0.334SS*.THydrogen-bonded Turntrans-81.1-29.6-175.8-55.3-39.7000113.1T110T110-D112 PolarHBondContact O-N 3.31Å; T110-D112 VanDerWaalsContact O-N 3.13Å
113T83.1Confident78.4Confident50 Ų5069.9 Ų69.931%0.30734%0.337SS..THydrogen-bonded Turntrans-98.3-9.7-177.662.60000113.4T110 R115 T116 R117T110-T113 PolarHBondContact N-OG1 3.36Å; T110-T113 PolarHBondContact O-N 2.92Å; T110-T113 PolarHBondContact OG1-N 3.36Å; T110-T113 PolarHBondContact OG1-OG1 3.14Å; T110-T113 VanDerWaalsContact OG1-OG1 3.07Å; T113-R115 PolarHBondContact O-N 3.17Å; T113-T116 PolarHBondContact O-N 3.41Å; T113-R117 WeakPolarHBondContact O-CG 3.32Å; T113-R117 PolarHBondContact O-N 3.45Å
114A83.6Confident79.1Confident2 Ų272.7 Ų72.72%0.01735%0.35CS..Hα-helixtrans-58.4-47.1-167.400000113.8L109 T110 T116 R117 F118 W165L109-A114 HydrophobicContact CD2-CB 3.9Å; T110-A114 VanDerWaalsContact O-CB 3.27Å; T110-A114 WeakPolarHBondContact O-CB 3.49Å; T110-A114 PolarHBondContact O-N 2.9Å; A114-T116 PolarHBondContact O-N 2.88Å; A114-R117 PolarHBondContact O-N 3.5Å; A114-F118 WeakPolarHBondContact O-CB 3.38Å; A114-F118 PolarHBondContact O-N 3.49Å; A114-W165 HydrophobicContact CB-CH2 3.81Å; A114-W165 HydrophobicContact CB-CZ3 4.1Å
115R85.8Confident79.9Confident138 Ų13872.4 Ų72.452%0.52135%0.348SS..Hα-helixtrans-59.9-48.4179.4-170176.1-171.9171.210112T113 F118 A119 W165 E168T113-R115 PolarHBondContact O-N 3.17Å; R115-F118 PolarHBondContact O-N 2.9Å; R115-A119 WeakPolarHBondContact O-CB 3.29Å; R115-A119 PolarHBondContact O-N 3.47Å; R115-W165 VanDerWaalsContact CA-CH2 3.49Å; R115-W165 HydrophobicContact CB-CD2 4.41Å; R115-W165 HydrophobicContact CB-CH2 3.75Å; R115-W165 HydrophobicContact CB-CZ2 3.51Å; R115-W165 HydrophobicContact CB-CZ3 4.28Å; R115-W165 HydrophobicContact CG-CD2 4.1Å; R115-W165 HydrophobicContact CG-CH2 4.46Å; R115-W165 HydrophobicContact CG-CZ2 3.9Å; R115-W165 VanDerWaalsContact N-CH2 3.32Å; R115-E168 IonicContact NH2-OE1 3.13Å; R115-E168 IonicContact NH2-OE2 3.93Å; R115-E168 PolarHBondContact NH2-OE2 3.34Å; R115-E168 VanDerWaalsContact NH2-OE2 3.15Å
116T85.6Confident80.9Confident84 Ų8467 Ų6752%0.51532%0.322SS..Hα-helixtrans-64.4-47.4-177.2-54.20000110.8T113 A114 F118 A119 E120T113-T116 PolarHBondContact O-N 3.41Å; A114-T116 PolarHBondContact O-N 2.88Å; T116-F118 PolarHBondContact O-N 2.99Å; T116-A119 PolarHBondContact O-N 3.23Å; T116-E120 WeakPolarHBondContact O-CG 3.39Å; T116-E120 PolarHBondContact O-N 3.07Å
117R83.1Confident81.9Confident100 Ų10071.6 Ų71.638%0.37734%0.336SS..Hα-helixtrans-64.8-41.2179.2-65.5-52.8-171.1-171.92.1112.4L107 L109 T113 A114 E120 V121L107-R117 HydrophobicContact CD1-CB 4.36Å; L109-R117 HydrophobicContact CD2-CB 3.93Å; T113-R117 WeakPolarHBondContact O-CG 3.32Å; T113-R117 PolarHBondContact O-N 3.45Å; A114-R117 PolarHBondContact O-N 3.5Å; R117-E120 VanDerWaalsContact CD-OE2 3.27Å; R117-E120 WeakPolarHBondContact CD-OE2 3.41Å; R117-E120 IonicContact CZ-OE2 3.93Å; R117-E120 IonicContact NE-OE2 3.65Å; R117-E120 IonicContact NH1-OE1 2.65Å; R117-E120 IonicContact NH1-OE2 3.49Å; R117-E120 PolarHBondContact NH1-OE2 2.88Å; R117-E120 PolarHBondContact O-N 3.18Å; R117-V121 WeakPolarHBondContact O-CG2 3.42Å; R117-V121 PolarHBondContact O-N 3.49Å
118F84.6Confident82.5Confident7 Ų775.9 Ų75.93%0.03136%0.359CS..Hα-helixtrans-58-52.6173.9-173.5-94.6000110.4A114 R115 T116 E120 V121 I122 F138 F141 I162 W165 M166A114-F118 WeakPolarHBondContact O-CB 3.38Å; A114-F118 PolarHBondContact O-N 3.49Å; R115-F118 PolarHBondContact O-N 2.9Å; T116-F118 PolarHBondContact O-N 2.99Å; F118-E120 VanDerWaalsContact C-N 3.34Å; F118-E120 PolarHBondContact O-N 3.27Å; F118-V121 PolarHBondContact O-N 3.46Å; F118-I122 HydrophobicContact CD1-CG1 3.99Å; F118-I122 HydrophobicContact CE1-CD1 4.42Å; F118-I122 HydrophobicContact CE1-CG1 3.64Å; F118-I122 HydrophobicContact CE2-CD1 4.42Å; F118-I122 HydrophobicContact CE2-CG1 4.41Å; F118-I122 HydrophobicContact CZ-CD1 4.14Å; F118-I122 HydrophobicContact CZ-CG1 3.86Å; F118-I122 WeakPolarHBondContact O-CG1 3.49Å; F118-I122 PolarHBondContact O-N 3.45Å; F118-F138 HydrophobicContact CE1-CE2 4.28Å; F118-F138 HydrophobicContact CZ-CE2 4.08Å; F118-F141 HydrophobicContact CD2-CD1 4.33Å; F118-F141 AromaticContact CD2-CE1 3.61Å; F118-F141 HydrophobicContact CD2-CE1 3.61Å; F118-F141 HydrophobicContact CD2-CZ 4.44Å; F118-F141 AromaticContact CE2-CD1 3.88Å; F118-F141 HydrophobicContact CE2-CD1 3.88Å; F118-F141 AromaticContact CE2-CE1 3.62Å; F118-F141 HydrophobicContact CE2-CE1 3.62Å; F118-I162 HydrophobicContact CE2-CG2 3.99Å; F118-I162 HydrophobicContact CZ-CG2 4.36Å; F118-W165 HydrophobicContact CB-CE3 4.05Å; F118-W165 HydrophobicContact CB-CZ3 4.24Å; F118-W165 HydrophobicContact CD1-CB 4.19Å; F118-W165 HydrophobicContact CD1-CE3 4.07Å; F118-W165 HydrophobicContact CE1-CB 4.13Å; F118-W165 HydrophobicContact CG-CE3 4.03Å; F118-M166 HydrophobicContact CE1-CG 4.28Å; F118-M166 HydrophobicContact CZ-CG 3.65Å
119A85.9Confident83.5Confident38 Ų3868.1 Ų68.131%0.31434%0.339SS..Hα-helixtrans-60.2-39.4-18000000113.4R115 T116 I122 N123R115-A119 WeakPolarHBondContact O-CB 3.29Å; R115-A119 PolarHBondContact O-N 3.47Å; T116-A119 PolarHBondContact O-N 3.23Å; A119-I122 PolarHBondContact O-N 2.88Å; A119-N123 VanDerWaalsContact O-CB 3.29Å; A119-N123 WeakPolarHBondContact O-CB 3.27Å; A119-N123 PolarHBondContact O-N 3.42Å; A119-N123 PolarHBondContact O-ND2 3.33Å; A119-N123 VanDerWaalsContact O-ND2 3.11Å
120E84.2Confident84.4Confident87 Ų8768.4 Ų68.441%0.40734%0.342SS..Hα-helixtrans-58.1-49.1175.8-76.6172.3171.200111.8T116 R117 F118 N123 E124T116-E120 WeakPolarHBondContact O-CG 3.39Å; T116-E120 PolarHBondContact O-N 3.07Å; R117-E120 VanDerWaalsContact CD-OE2 3.27Å; R117-E120 WeakPolarHBondContact CD-OE2 3.41Å; R117-E120 IonicContact CZ-OE2 3.93Å; R117-E120 IonicContact NE-OE2 3.65Å; R117-E120 IonicContact NH1-OE1 2.65Å; R117-E120 IonicContact NH1-OE2 3.49Å; R117-E120 PolarHBondContact NH1-OE2 2.88Å; R117-E120 PolarHBondContact O-N 3.18Å; F118-E120 VanDerWaalsContact C-N 3.34Å; F118-E120 PolarHBondContact O-N 3.27Å; E120-N123 PolarHBondContact O-N 3.49Å; E120-E124 PolarHBondContact O-N 2.95Å; E120-E124 VanDerWaalsContact O-N 3.07Å
121V82.5Confident85Confident36 Ų3666.2 Ų66.222%0.21833%0.327CS..Hα-helixtrans-64.2-43.5179.51760000111.2M103 L107 R117 F118 E124 L125 F141M103-V121 HydrophobicContact SD-CG1 4.49Å; L107-V121 HydrophobicContact CD1-CG2 3.71Å; R117-V121 WeakPolarHBondContact O-CG2 3.42Å; R117-V121 PolarHBondContact O-N 3.49Å; F118-V121 PolarHBondContact O-N 3.46Å; V121-E124 PolarHBondContact O-N 3.36Å; V121-L125 WeakPolarHBondContact O-CB 3.34Å; V121-L125 PolarHBondContact O-N 3.34Å; V121-F141 HydrophobicContact CB-CE1 4.05Å; V121-F141 HydrophobicContact CB-CZ 3.82Å; V121-F141 HydrophobicContact CG1-CD1 4.29Å; V121-F141 HydrophobicContact CG1-CD2 4.31Å; V121-F141 HydrophobicContact CG1-CE1 3.83Å; V121-F141 HydrophobicContact CG1-CE2 3.87Å; V121-F141 HydrophobicContact CG1-CG 4.49Å; V121-F141 HydrophobicContact CG1-CZ 3.6Å; V121-F141 HydrophobicContact CG2-CZ 4.06Å
122I86.6Confident85.6Confident0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-67.6-39.6-179.3-59.1-37.8000111.6F118 A119 E124 L125 F126 F138 F141 Y169F118-I122 HydrophobicContact CD1-CG1 3.99Å; F118-I122 HydrophobicContact CE1-CD1 4.42Å; F118-I122 HydrophobicContact CE1-CG1 3.64Å; F118-I122 HydrophobicContact CE2-CD1 4.42Å; F118-I122 HydrophobicContact CE2-CG1 4.41Å; F118-I122 HydrophobicContact CZ-CD1 4.14Å; F118-I122 HydrophobicContact CZ-CG1 3.86Å; F118-I122 WeakPolarHBondContact O-CG1 3.49Å; F118-I122 PolarHBondContact O-N 3.45Å; A119-I122 PolarHBondContact O-N 2.88Å; I122-E124 VanDerWaalsContact C-N 3.32Å; I122-E124 PolarHBondContact O-N 3.45Å; I122-L125 HydrophobicContact CD1-CD2 4.36Å; I122-L125 WeakPolarHBondContact O-CB 3.38Å; I122-L125 PolarHBondContact O-N 2.97Å; I122-F126 HydrophobicContact CG2-CD2 3.72Å; I122-F126 HydrophobicContact CG2-CE2 3.72Å; I122-F126 VanDerWaalsContact O-CD2 3.26Å; I122-F126 WeakPolarHBondContact O-CD2 3.35Å; I122-F126 PolarHBondContact O-N 2.95Å; I122-F126 VanDerWaalsContact O-N 3.16Å; I122-F138 HydrophobicContact CD1-CD2 3.53Å; I122-F138 HydrophobicContact CD1-CE2 4.04Å; I122-F138 HydrophobicContact CG1-CD2 3.88Å; I122-F138 HydrophobicContact CG1-CE2 3.91Å; I122-F138 HydrophobicContact CG2-CD2 3.79Å; I122-F138 HydrophobicContact CG2-CE2 3.86Å; I122-F141 HydrophobicContact CD1-CD1 3.43Å; I122-F141 VanDerWaalsContact CD1-CD1 3.43Å; I122-F141 HydrophobicContact CD1-CE1 3.69Å; I122-F141 HydrophobicContact CD1-CG 4.48Å; I122-Y169 HydrophobicContact CB-CE2 4.41Å; I122-Y169 HydrophobicContact CG2-CD1 3.77Å; I122-Y169 HydrophobicContact CG2-CD2 3.96Å; I122-Y169 HydrophobicContact CG2-CE1 3.47Å; I122-Y169 VanDerWaalsContact CG2-CE1 3.47Å; I122-Y169 HydrophobicContact CG2-CE2 3.65Å; I122-Y169 HydrophobicContact CG2-CG 4.01Å; I122-Y169 VanDerWaalsContact CG2-CZ 3.41Å
123N86.3Confident85.9Confident90 Ų9053 Ų5348%0.48127%0.267SS..Hα-helixtrans-64.8-37.4176.6-72.2-26.6000112A119 E120 F126 R127 Y169A119-N123 VanDerWaalsContact O-CB 3.29Å; A119-N123 WeakPolarHBondContact O-CB 3.27Å; A119-N123 PolarHBondContact O-N 3.42Å; A119-N123 PolarHBondContact O-ND2 3.33Å; A119-N123 VanDerWaalsContact O-ND2 3.11Å; E120-N123 PolarHBondContact O-N 3.49Å; N123-F126 PolarHBondContact O-N 3.28Å; N123-R127 PolarHBondContact O-N 3.18Å; N123-Y169 PolarHBondContact OD1-OH 3.15Å; N123-Y169 VanDerWaalsContact OD1-OH 3.12Å
124E82.1Confident86.3Confident74 Ų7451.4 Ų51.435%0.34626%0.256SS..Hα-helixtrans-68.4-41.5174.2-168.162.2-159.900111.4E120 V121 I122 F126 R127E120-E124 PolarHBondContact O-N 2.95Å; E120-E124 VanDerWaalsContact O-N 3.07Å; V121-E124 PolarHBondContact O-N 3.36Å; I122-E124 VanDerWaalsContact C-N 3.32Å; I122-E124 PolarHBondContact O-N 3.45Å; E124-F126 PolarHBondContact O-N 2.98Å; E124-R127 WeakPolarHBondContact O-CB 3.47Å; E124-R127 PolarHBondContact O-N 3.13Å; E124-R127 VanDerWaalsContact O-N 3.17Å; E124-R127 IonicContact OE1-NH1 3.85Å; E124-R127 PolarHBondContact OE1-NH1 2.9Å; E124-R127 VanDerWaalsContact OE1-NH1 3.13Å; E124-R127 WeakPolarHBondContact OE2-CD 3.29Å; E124-R127 IonicContact OE2-NH1 2.85Å
125L83.7Confident86.7Confident7 Ų751.3 Ų51.34%0.03726%0.255CS..Hα-helixtrans-53.7-38.2176.4165.265.5000112.5V121 I122 R134 A137 F138 V209V121-L125 WeakPolarHBondContact O-CB 3.34Å; V121-L125 PolarHBondContact O-N 3.34Å; I122-L125 HydrophobicContact CD1-CD2 4.36Å; I122-L125 WeakPolarHBondContact O-CB 3.38Å; I122-L125 PolarHBondContact O-N 2.97Å; L125-R134 HydrophobicContact CD1-CB 4.01Å; L125-R134 HydrophobicContact CD1-CG 4.08Å; L125-R134 WeakPolarHBondContact O-CD 3.27Å; L125-R134 PolarHBondContact O-NH1 3.19Å; L125-A137 HydrophobicContact CD1-CB 4.15Å; L125-F138 HydrophobicContact CD2-CB 3.6Å; L125-V209 HydrophobicContact CB-CG1 4.19Å; L125-V209 HydrophobicContact CD1-CB 4.09Å; L125-V209 HydrophobicContact CD1-CG1 3.33Å; L125-V209 HydrophobicContact CD1-CG2 3.73Å; L125-V209 HydrophobicContact CG-CG1 4.33Å
126F88.4Confident87.1Confident16 Ų1645.2 Ų45.27%0.0723%0.233CC..Hα-helixtrans-1034.4-177.8-64.5-66.7000114.7I122 N123 E124 D128 G129 V130 R134 I135 F138 Y169 L174I122-F126 HydrophobicContact CG2-CD2 3.72Å; I122-F126 HydrophobicContact CG2-CE2 3.72Å; I122-F126 VanDerWaalsContact O-CD2 3.26Å; I122-F126 WeakPolarHBondContact O-CD2 3.35Å; I122-F126 PolarHBondContact O-N 2.95Å; I122-F126 VanDerWaalsContact O-N 3.16Å; N123-F126 PolarHBondContact O-N 3.28Å; E124-F126 PolarHBondContact O-N 2.98Å; F126-D128 VanDerWaalsContact C-N 3.34Å; F126-D128 PolarHBondContact O-N 3.24Å; F126-G129 PolarHBondContact O-N 3.22Å; F126-V130 HydrophobicContact CB-CG2 4.49Å; F126-V130 HydrophobicContact CD1-CB 4.35Å; F126-V130 HydrophobicContact CD1-CG1 4.23Å; F126-V130 HydrophobicContact CD1-CG2 3.94Å; F126-V130 HydrophobicContact CE1-CG1 4.17Å; F126-V130 HydrophobicContact CG-CG2 4.49Å; F126-R134 HydrophobicContact CD1-CB 4.03Å; F126-R134 HydrophobicContact CE1-CB 3.58Å; F126-R134 HydrophobicContact CZ-CB 4.46Å; F126-I135 HydrophobicContact CE1-CG1 4.15Å; F126-I135 HydrophobicContact CZ-CG1 4.34Å; F126-F138 HydrophobicContact CE2-CB 3.92Å; F126-F138 HydrophobicContact CE2-CD2 4.21Å; F126-F138 HydrophobicContact CE2-CG 4.15Å; F126-F138 HydrophobicContact CZ-CB 3.72Å; F126-F138 HydrophobicContact CZ-CG 4.26Å; F126-Y169 AromaticContact CD2-CE1 3.59Å; F126-Y169 HydrophobicContact CD2-CE1 3.59Å; F126-Y169 HydrophobicContact CE2-CD1 4.4Å; F126-Y169 AromaticContact CE2-CE1 3.84Å; F126-Y169 HydrophobicContact CE2-CE1 3.84Å; F126-L174 HydrophobicContact CD1-CD2 4.02Å; F126-L174 HydrophobicContact CD2-CD2 4.21Å; F126-L174 HydrophobicContact CE1-CD1 4.47Å; F126-L174 HydrophobicContact CE1-CD2 3.95Å; F126-L174 HydrophobicContact CE2-CD1 3.98Å; F126-L174 HydrophobicContact CE2-CD2 4.14Å; F126-L174 HydrophobicContact CG-CD2 4.15Å; F126-L174 HydrophobicContact CZ-CD1 3.83Å; F126-L174 HydrophobicContact CZ-CD2 4.02Å
127R87.2Confident87.1Confident168 Ų16841.3 Ų41.363%0.63421%0.209SC*.THydrogen-bonded Turntrans-54.1-46.1-175.4-179.4179.4175.6-167.1-1.5113.7N123 E124 G129N123-R127 PolarHBondContact O-N 3.18Å; E124-R127 WeakPolarHBondContact O-CB 3.47Å; E124-R127 PolarHBondContact O-N 3.13Å; E124-R127 VanDerWaalsContact O-N 3.17Å; E124-R127 IonicContact OE1-NH1 3.85Å; E124-R127 PolarHBondContact OE1-NH1 2.9Å; E124-R127 VanDerWaalsContact OE1-NH1 3.13Å; E124-R127 WeakPolarHBondContact OE2-CD 3.29Å; E124-R127 IonicContact OE2-NH1 2.85Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.42Å
128D83.2Confident87.6Confident113 Ų11336.5 Ų36.560%0.60419%0.191SC*.THydrogen-bonded Turntrans-91.314-178.3-54.1-44.7000113.4F126F126-D128 VanDerWaalsContact C-N 3.34Å; F126-D128 PolarHBondContact O-N 3.24Å
129G88.9Confident88.1Confident33 Ų3336.2 Ų36.234%0.3419%0.189SC..  trans118.1172.417800000114.6F126 R127 R134F126-G129 PolarHBondContact O-N 3.22Å; R127-G129 VanDerWaalsContact C-N 3.28Å; R127-G129 PolarHBondContact O-N 3.42Å; G129-R134 VanDerWaalsContact O-CD 3.27Å; G129-R134 WeakPolarHBondContact O-CD 3.31Å; G129-R134 PolarHBondContact O-NH1 3.48Å
130V91.6Very high88.3Confident34 Ų3434.4 Ų34.421%0.20617%0.174CC..  trans-109.4140.1-175.5-1740000109.6F126 I135 L174 W177F126-V130 HydrophobicContact CB-CG2 4.49Å; F126-V130 HydrophobicContact CD1-CB 4.35Å; F126-V130 HydrophobicContact CD1-CG1 4.23Å; F126-V130 HydrophobicContact CD1-CG2 3.94Å; F126-V130 HydrophobicContact CE1-CG1 4.17Å; F126-V130 HydrophobicContact CG-CG2 4.49Å; V130-I135 HydrophobicContact CG1-CD1 3.91Å; V130-I135 HydrophobicContact CG1-CG1 4.05Å; V130-L174 HydrophobicContact CB-CD2 4.47Å; V130-L174 HydrophobicContact CG1-CD2 3.81Å; V130-L174 HydrophobicContact CG2-CD2 3.75Å; V130-W177 HydrophobicContact CB-CB 4.33Å; V130-W177 HydrophobicContact CB-CD2 3.7Å; V130-W177 HydrophobicContact CB-CE3 4.31Å; V130-W177 HydrophobicContact CB-CG 3.67Å; V130-W177 HydrophobicContact CG1-CB 4.31Å; V130-W177 HydrophobicContact CG1-CD2 3.39Å; V130-W177 HydrophobicContact CG1-CE3 3.48Å; V130-W177 VanDerWaalsContact CG1-CE3 3.48Å; V130-W177 HydrophobicContact CG1-CG 3.76Å; V130-W177 HydrophobicContact CG1-CZ2 4.48Å; V130-W177 HydrophobicContact CG1-CZ3 4.09Å; V130-W177 HydrophobicContact CG2-CG 4.38Å; V130-W177 VanDerWaalsContact O-CE2 3.28Å; V130-W177 WeakPolarHBondContact O-CZ2 3.45Å; V130-W177 PolarHBondContact O-NE1 3.3Å
131N89.4Confident88.5Confident24 Ų2430.6 Ų30.613%0.12816%0.156CC..  trans-153.1163167.462.772.2000109.7G133 R134 I135 W177 Y202N131-G133 VanDerWaalsContact C-N 3.25Å; N131-G133 PolarHBondContact O-N 3.38Å; N131-G133 WeakPolarHBondContact OD1-CA 3.41Å; N131-G133 PolarHBondContact OD1-N 2.88Å; N131-R134 WeakPolarHBondContact ND2-CD 3.2Å; N131-R134 PolarHBondContact O-N 2.95Å; N131-R134 PolarHBondContact OD1-N 3.4Å; N131-I135 PolarHBondContact O-N 2.87Å; N131-W177 HydrophobicContact CB-CZ2 4.43Å; N131-Y202 HydrophobicContact CB-CD1 4Å; N131-Y202 HydrophobicContact CB-CE1 4.03Å
132W91.4Very high89Confident8 Ų828.9 Ų28.93%0.0315%0.146CC..Hα-helixtrans-55.8-36.8-179-69.7123.7000113.5I135 I136 W177 I178 G183 W184 F187W132-I135 HydrophobicContact CD2-CD1 4.45Å; W132-I135 HydrophobicContact CE3-CB 4.4Å; W132-I135 HydrophobicContact CE3-CD1 3.66Å; W132-I135 HydrophobicContact CE3-CG2 4.47Å; W132-I135 HydrophobicContact CZ3-CD1 3.78Å; W132-I135 PolarHBondContact O-N 3.02Å; W132-I136 WeakPolarHBondContact O-CD1 3.36Å; W132-I136 VanDerWaalsContact O-CG1 3.29Å; W132-I136 WeakPolarHBondContact O-CG1 3.48Å; W132-I136 PolarHBondContact O-N 3.21Å; W132-W177 HydrophobicContact CD2-CH2 4.07Å; W132-W177 AromaticContact CD2-CZ3 3.9Å; W132-W177 HydrophobicContact CD2-CZ3 3.9Å; W132-W177 AromaticContact CE2-CH2 3.98Å; W132-W177 AromaticContact CE2-CZ3 3.81Å; W132-W177 HydrophobicContact CE3-CZ3 4.2Å; W132-W177 HydrophobicContact CG-CH2 4.09Å; W132-W177 HydrophobicContact CG-CZ3 4.39Å; W132-W177 HydrophobicContact CH2-CZ3 4.34Å; W132-W177 HydrophobicContact CZ2-CZ3 4.04Å; W132-W177 HydrophobicContact CZ3-CZ3 4.4Å; W132-W177 AromaticContact NE1-CH2 3.95Å; W132-I178 HydrophobicContact CH2-CB 4.48Å; W132-I178 HydrophobicContact CH2-CG1 4.15Å; W132-I178 HydrophobicContact CH2-CG2 4.06Å; W132-I178 HydrophobicContact CZ3-CG1 4.31Å; W132-G183 VanDerWaalsContact CZ2-O 3.32Å; W132-G183 WeakPolarHBondContact CZ2-O 3.33Å; W132-W184 HydrophobicContact CE3-CZ3 4.39Å; W132-W184 HydrophobicContact CH2-CD2 4.42Å; W132-W184 HydrophobicContact CH2-CE3 4.26Å; W132-W184 HydrophobicContact CZ3-CD2 4.26Å; W132-W184 AromaticContact CZ3-CE3 3.76Å; W132-W184 HydrophobicContact CZ3-CE3 3.76Å; W132-W184 HydrophobicContact CZ3-CH2 4.22Å; W132-W184 AromaticContact CZ3-CZ3 3.73Å; W132-W184 HydrophobicContact CZ3-CZ3 3.73Å; W132-F187 HydrophobicContact CB-CD2 3.92Å; W132-F187 HydrophobicContact CB-CE2 4.17Å; W132-F187 HydrophobicContact CD2-CB 3.86Å; W132-F187 AromaticContact CD2-CD2 3.59Å; W132-F187 HydrophobicContact CD2-CD2 3.59Å; W132-F187 HydrophobicContact CD2-CG 4.05Å; W132-F187 HydrophobicContact CE3-CB 3.91Å; W132-F187 AromaticContact CE3-CD2 3.63Å; W132-F187 HydrophobicContact CE3-CD2 3.63Å; W132-F187 HydrophobicContact CE3-CE2 4.37Å; W132-F187 AromaticContact CE3-CG 3.87Å; W132-F187 HydrophobicContact CE3-CG 3.87Å; W132-F187 AromaticContact CG-CD2 3.73Å; W132-F187 HydrophobicContact CG-CD2 3.73Å; W132-F187 HydrophobicContact CG-CE2 4.45Å; W132-F187 HydrophobicContact CH2-CB 3.8Å; W132-F187 HydrophobicContact CZ2-CB 3.74Å; W132-F187 HydrophobicContact CZ3-CB 3.88Å; W132-F187 HydrophobicContact CZ3-CD2 4.36Å; W132-F187 HydrophobicContact CZ3-CG 4.14Å
133G87.6Confident89.3Confident3 Ų328.9 Ų28.93%0.03115%0.146CC..Hα-helixtrans-62.6-42175.100000113.5N131 I135 I136 A137N131-G133 VanDerWaalsContact C-N 3.25Å; N131-G133 PolarHBondContact O-N 3.38Å; N131-G133 WeakPolarHBondContact OD1-CA 3.41Å; N131-G133 PolarHBondContact OD1-N 2.88Å; G133-I135 VanDerWaalsContact C-N 3.35Å; G133-I136 PolarHBondContact O-N 2.95Å; G133-A137 PolarHBondContact O-N 3.35Å
134R89.8Confident89.3Confident17 Ų1725.4 Ų25.46%0.06413%0.128CC..Hα-helixtrans-68-34.8174.4-71.6179.5174.6-162.4-5.5112.1L125 F126 G129 N131 A137 F138 V209L125-R134 HydrophobicContact CD1-CB 4.01Å; L125-R134 HydrophobicContact CD1-CG 4.08Å; L125-R134 WeakPolarHBondContact O-CD 3.27Å; L125-R134 PolarHBondContact O-NH1 3.19Å; F126-R134 HydrophobicContact CD1-CB 4.03Å; F126-R134 HydrophobicContact CE1-CB 3.58Å; F126-R134 HydrophobicContact CZ-CB 4.46Å; G129-R134 VanDerWaalsContact O-CD 3.27Å; G129-R134 WeakPolarHBondContact O-CD 3.31Å; G129-R134 PolarHBondContact O-NH1 3.48Å; N131-R134 WeakPolarHBondContact ND2-CD 3.2Å; N131-R134 PolarHBondContact O-N 2.95Å; N131-R134 PolarHBondContact OD1-N 3.4Å; R134-A137 PolarHBondContact O-N 2.91Å; R134-F138 PolarHBondContact O-N 2.85Å; R134-V209 HydrophobicContact CG-CG2 4.49Å
135I93.8Very high89.6Confident0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-63.6-46.1172.7-65.6171.9000110F126 V130 N131 W132 G133 A137 F138 F139 L174 W177 I178 W184F126-I135 HydrophobicContact CE1-CG1 4.15Å; F126-I135 HydrophobicContact CZ-CG1 4.34Å; V130-I135 HydrophobicContact CG1-CD1 3.91Å; V130-I135 HydrophobicContact CG1-CG1 4.05Å; N131-I135 PolarHBondContact O-N 2.87Å; W132-I135 HydrophobicContact CD2-CD1 4.45Å; W132-I135 HydrophobicContact CE3-CB 4.4Å; W132-I135 HydrophobicContact CE3-CD1 3.66Å; W132-I135 HydrophobicContact CE3-CG2 4.47Å; W132-I135 HydrophobicContact CZ3-CD1 3.78Å; W132-I135 PolarHBondContact O-N 3.02Å; G133-I135 VanDerWaalsContact C-N 3.35Å; I135-A137 VanDerWaalsContact C-N 3.3Å; I135-A137 PolarHBondContact O-N 2.79Å; I135-F138 VanDerWaalsContact O-CB 3.3Å; I135-F138 WeakPolarHBondContact O-CB 3.27Å; I135-F138 PolarHBondContact O-N 3.2Å; I135-F138 VanDerWaalsContact O-N 3.14Å; I135-F139 HydrophobicContact CG2-CD2 4.03Å; I135-F139 HydrophobicContact CG2-CE2 3.94Å; I135-F139 WeakPolarHBondContact O-CD2 3.28Å; I135-F139 PolarHBondContact O-N 2.84Å; I135-L174 HydrophobicContact CG1-CD1 4.42Å; I135-W177 HydrophobicContact CD1-CE3 3.79Å; I135-W177 HydrophobicContact CD1-CZ3 3.52Å; I135-I178 HydrophobicContact CD1-CD1 4.38Å; I135-I178 HydrophobicContact CD1-CG1 4.03Å; I135-W184 HydrophobicContact CG2-CH2 3.76Å; I135-W184 HydrophobicContact CG2-CZ3 4.29Å
136I92.1Very high89.9Confident11 Ų1121.7 Ų21.76%0.05611%0.111CC..Hα-helixtrans-59.6-42.3174.8-61.9155.4000110.7L85 A88 L92 W132 G133 F138 F139 E140 F187L85-I136 HydrophobicContact CD1-CG1 4.21Å; A88-I136 HydrophobicContact CB-CD1 3.71Å; A88-I136 HydrophobicContact CB-CG1 4.1Å; A88-I136 HydrophobicContact CB-CG2 4.14Å; L92-I136 HydrophobicContact CB-CG2 4.35Å; L92-I136 HydrophobicContact CD2-CB 4.46Å; L92-I136 HydrophobicContact CD2-CG2 3.77Å; W132-I136 WeakPolarHBondContact O-CD1 3.36Å; W132-I136 VanDerWaalsContact O-CG1 3.29Å; W132-I136 WeakPolarHBondContact O-CG1 3.48Å; W132-I136 PolarHBondContact O-N 3.21Å; G133-I136 PolarHBondContact O-N 2.95Å; I136-F138 VanDerWaalsContact C-N 3.32Å; I136-F138 PolarHBondContact O-N 3.37Å; I136-F139 PolarHBondContact O-N 3.12Å; I136-E140 PolarHBondContact O-N 3Å; I136-F187 HydrophobicContact CD1-CE2 3.87Å; I136-F187 HydrophobicContact CD1-CZ 4.08Å; I136-F187 HydrophobicContact CG1-CE2 4.18Å; I136-F187 HydrophobicContact CG1-CZ 4.07Å
137A87.6Confident89.9Confident1 Ų121.5 Ų21.51%0.00811%0.111CC..Hα-helixtrans-62.2-37.2176.100000113.1L92 L125 G133 R134 I135 E140 F141 F210L92-A137 HydrophobicContact CD2-CB 4.05Å; L125-A137 HydrophobicContact CD1-CB 4.15Å; G133-A137 PolarHBondContact O-N 3.35Å; R134-A137 PolarHBondContact O-N 2.91Å; I135-A137 VanDerWaalsContact C-N 3.3Å; I135-A137 PolarHBondContact O-N 2.79Å; A137-E140 PolarHBondContact O-N 3.17Å; A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.38Å; A137-F141 PolarHBondContact O-N 3.15Å; A137-F210 HydrophobicContact CB-CE2 4.1Å; A137-F210 HydrophobicContact CB-CZ 4.45Å
138F92.8Very high89.8Confident0 Ų016.2 Ų16.20%09%0.093CC..Hα-helixtrans-60.3-44.9172.3161.9-107.7000111.9F118 I122 L125 F126 R134 I135 I136 G142 M166 Y169 L170F118-F138 HydrophobicContact CE1-CE2 4.28Å; F118-F138 HydrophobicContact CZ-CE2 4.08Å; I122-F138 HydrophobicContact CD1-CD2 3.53Å; I122-F138 HydrophobicContact CD1-CE2 4.04Å; I122-F138 HydrophobicContact CG1-CD2 3.88Å; I122-F138 HydrophobicContact CG1-CE2 3.91Å; I122-F138 HydrophobicContact CG2-CD2 3.79Å; I122-F138 HydrophobicContact CG2-CE2 3.86Å; L125-F138 HydrophobicContact CD2-CB 3.6Å; F126-F138 HydrophobicContact CE2-CB 3.92Å; F126-F138 HydrophobicContact CE2-CD2 4.21Å; F126-F138 HydrophobicContact CE2-CG 4.15Å; F126-F138 HydrophobicContact CZ-CB 3.72Å; F126-F138 HydrophobicContact CZ-CG 4.26Å; R134-F138 PolarHBondContact O-N 2.85Å; I135-F138 VanDerWaalsContact O-CB 3.3Å; I135-F138 WeakPolarHBondContact O-CB 3.27Å; I135-F138 PolarHBondContact O-N 3.2Å; I135-F138 VanDerWaalsContact O-N 3.14Å; I136-F138 VanDerWaalsContact C-N 3.32Å; I136-F138 PolarHBondContact O-N 3.37Å; F138-G142 PolarHBondContact O-N 3.45Å; F138-M166 HydrophobicContact CD1-CE 4.29Å; F138-M166 HydrophobicContact CE1-CB 4.3Å; F138-M166 HydrophobicContact CE1-CE 3.96Å; F138-M166 HydrophobicContact CE1-CG 4.38Å; F138-M166 HydrophobicContact CE2-CG 4.09Å; F138-M166 HydrophobicContact CZ-CB 3.79Å; F138-M166 HydrophobicContact CZ-CE 4.22Å; F138-M166 HydrophobicContact CZ-CG 3.76Å; F138-Y169 HydrophobicContact CE2-CD1 4.43Å; F138-Y169 HydrophobicContact CZ-CD1 4.47Å; F138-L170 HydrophobicContact CE1-CD1 4.38Å; F138-L170 HydrophobicContact CE1-CD2 4.18Å; F138-L170 HydrophobicContact CE1-CG 3.98Å
139F95.1Very high90Very high0 Ų011 Ų110%07%0.066CC..Hα-helixtrans-63.9-46.7176.1-87.5-91.9000112.2I9 V10 Y13 L85 I135 I136 F141 G142 S143 M166 L170 W184I9-F139 HydrophobicContact CG2-CE1 3.93Å; I9-F139 HydrophobicContact CG2-CZ 3.77Å; V10-F139 HydrophobicContact CG2-CE1 3.98Å; V10-F139 HydrophobicContact CG2-CZ 4.13Å; Y13-F139 HydrophobicContact CD1-CB 4.04Å; Y13-F139 AromaticContact CD1-CD1 3.76Å; Y13-F139 HydrophobicContact CD1-CD1 3.76Å; Y13-F139 HydrophobicContact CD1-CG 4.39Å; Y13-F139 HydrophobicContact CD2-CD1 4.25Å; Y13-F139 HydrophobicContact CE1-CB 3.67Å; Y13-F139 HydrophobicContact CE1-CD1 4.28Å; Y13-F139 HydrophobicContact CE1-CG 4.48Å; Y13-F139 WeakPolarHBondContact CE1-O 3.41Å; Y13-F139 HydrophobicContact CE2-CB 4.4Å; Y13-F139 AromaticContact CG-CD1 3.7Å; Y13-F139 HydrophobicContact CG-CD1 3.7Å; Y13-F139 HydrophobicContact CG-CE1 4.44Å; L85-F139 HydrophobicContact CD1-CD2 4.29Å; L85-F139 HydrophobicContact CD1-CG 4.37Å; L85-F139 HydrophobicContact CD2-CD1 3.74Å; L85-F139 HydrophobicContact CD2-CD2 4.27Å; L85-F139 HydrophobicContact CD2-CE1 3.61Å; L85-F139 HydrophobicContact CD2-CE2 4.21Å; L85-F139 HydrophobicContact CD2-CG 4.05Å; L85-F139 HydrophobicContact CD2-CZ 3.86Å; I135-F139 HydrophobicContact CG2-CD2 4.03Å; I135-F139 HydrophobicContact CG2-CE2 3.94Å; I135-F139 WeakPolarHBondContact O-CD2 3.28Å; I135-F139 PolarHBondContact O-N 2.84Å; I136-F139 PolarHBondContact O-N 3.12Å; F139-F141 PolarHBondContact O-N 3.21Å; F139-G142 PolarHBondContact O-N 2.76Å; F139-S143 WeakPolarHBondContact O-CB 3.31Å; F139-S143 PolarHBondContact O-N 3.34Å; F139-S143 PolarHBondContact O-OG 3.01Å; F139-M166 HydrophobicContact CB-CE 4.47Å; F139-M166 HydrophobicContact CD1-CE 3.88Å; F139-M166 HydrophobicContact CE1-CE 4.34Å; F139-M166 HydrophobicContact CG-CE 4.13Å; F139-L170 HydrophobicContact CE2-CD1 4.08Å; F139-L170 HydrophobicContact CE2-CD2 4.19Å; F139-L170 HydrophobicContact CZ-CD1 3.65Å; F139-W184 AromaticContact CE2-CH2 3.71Å; F139-W184 HydrophobicContact CE2-CH2 3.71Å; F139-W184 HydrophobicContact CE2-CZ2 4.37Å; F139-W184 HydrophobicContact CZ-CH2 4.06Å; F139-W184 HydrophobicContact CZ-CZ2 4.45Å
140E91Very high89.9Confident0 Ų09.9 Ų9.90%05%0.054CC..Hα-helixtrans-60.5-46176.7-83-59.6119.900112.1Y13 K17 G89 L92 F100 I136 A137 S143 T144Y13-E140 PolarHBondContact OH-OE1 3.19Å; K17-E140 WeakPolarHBondContact CE-OE1 3.39Å; K17-E140 WeakPolarHBondContact CE-OE2 3.43Å; K17-E140 IonicContact NZ-OE1 3.24Å; K17-E140 PolarHBondContact NZ-OE1 3.5Å; K17-E140 IonicContact NZ-OE2 3.08Å; K17-E140 PolarHBondContact NZ-OE2 3.04Å; G89-E140 VanDerWaalsContact C-OE1 3.31Å; G89-E140 VanDerWaalsContact CA-OE1 3.26Å; G89-E140 WeakPolarHBondContact CA-OE1 3.42Å; G89-E140 VanDerWaalsContact O-CD 3.24Å; L92-E140 HydrophobicContact CB-CG 4.14Å; L92-E140 HydrophobicContact CD2-CB 4.04Å; L92-E140 HydrophobicContact CD2-CG 3.66Å; L92-E140 HydrophobicContact CG-CG 4.01Å; F100-E140 HydrophobicContact CE1-CB 3.5Å; F100-E140 VanDerWaalsContact CE1-CB 3.5Å; F100-E140 HydrophobicContact CE2-CB 4.33Å; F100-E140 HydrophobicContact CZ-CB 3.37Å; F100-E140 HydrophobicContact CZ-CG 4.03Å; I136-E140 PolarHBondContact O-N 3Å; A137-E140 PolarHBondContact O-N 3.17Å; E140-S143 PolarHBondContact O-N 3.46Å; E140-S143 PolarHBondContact O-OG 3.27Å; E140-T144 WeakPolarHBondContact O-CB 3.12Å; E140-T144 PolarHBondContact O-N 3.17Å; E140-T144 PolarHBondContact O-OG1 3.03Å
141F88.3Confident89.5Confident7 Ų711.3 Ų11.33%0.0317%0.065CC..Hα-helixtrans-59.3-53.7176.7172.1-105000111.4M103 L107 F118 V121 I122 A137 F139 S143 T144 V145M103-F141 HydrophobicContact CG-CD2 4.23Å; M103-F141 HydrophobicContact CG-CE2 4.02Å; M103-F141 HydrophobicContact SD-CD2 3.34Å; M103-F141 WeakPolarHBondContact SD-CD2 3.18Å; M103-F141 HydrophobicContact SD-CE2 3.61Å; M103-F141 HydrophobicContact SD-CG 4.39Å; L107-F141 HydrophobicContact CD1-CE2 4.32Å; L107-F141 HydrophobicContact CD1-CZ 3.92Å; L107-F141 HydrophobicContact CD2-CE2 4.15Å; L107-F141 HydrophobicContact CD2-CZ 3.83Å; F118-F141 HydrophobicContact CD2-CD1 4.33Å; F118-F141 AromaticContact CD2-CE1 3.61Å; F118-F141 HydrophobicContact CD2-CE1 3.61Å; F118-F141 HydrophobicContact CD2-CZ 4.44Å; F118-F141 AromaticContact CE2-CD1 3.88Å; F118-F141 HydrophobicContact CE2-CD1 3.88Å; F118-F141 AromaticContact CE2-CE1 3.62Å; F118-F141 HydrophobicContact CE2-CE1 3.62Å; V121-F141 HydrophobicContact CB-CE1 4.05Å; V121-F141 HydrophobicContact CB-CZ 3.82Å; V121-F141 HydrophobicContact CG1-CD1 4.29Å; V121-F141 HydrophobicContact CG1-CD2 4.31Å; V121-F141 HydrophobicContact CG1-CE1 3.83Å; V121-F141 HydrophobicContact CG1-CE2 3.87Å; V121-F141 HydrophobicContact CG1-CG 4.49Å; V121-F141 HydrophobicContact CG1-CZ 3.6Å; V121-F141 HydrophobicContact CG2-CZ 4.06Å; I122-F141 HydrophobicContact CD1-CD1 3.43Å; I122-F141 VanDerWaalsContact CD1-CD1 3.43Å; I122-F141 HydrophobicContact CD1-CE1 3.69Å; I122-F141 HydrophobicContact CD1-CG 4.48Å; A137-F141 VanDerWaalsContact O-CB 3.31Å; A137-F141 WeakPolarHBondContact O-CB 3.38Å; A137-F141 PolarHBondContact O-N 3.15Å; F139-F141 PolarHBondContact O-N 3.21Å; F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 2.99Å; F141-T144 WeakPolarHBondContact O-CB 3.44Å; F141-T144 PolarHBondContact O-N 3.07Å; F141-T144 VanDerWaalsContact O-N 3.12Å; F141-V145 HydrophobicContact CD2-CG2 4.3Å; F141-V145 HydrophobicContact CE1-CG2 4.2Å; F141-V145 HydrophobicContact CE2-CG2 3.9Å; F141-V145 HydrophobicContact CZ-CG2 3.86Å; F141-V145 WeakPolarHBondContact O-CG2 3.3Å; F141-V145 PolarHBondContact O-N 3.06Å
142G91.8Very high89.2Confident0 Ų014.6 Ų14.60%08%0.078CC..Hα-helixtrans-58.9-42.2-179.600000112.9F138 F139 T144 V145 C146F138-G142 PolarHBondContact O-N 3.45Å; F139-G142 PolarHBondContact O-N 2.76Å; G142-T144 PolarHBondContact O-N 3.44Å; G142-V145 PolarHBondContact O-N 3.42Å; G142-C146 PolarHBondContact O-N 3.16Å; G142-C146 PolarHBondContact O-SG 3.45Å; G142-C146 VanDerWaalsContact O-SG 3.34Å
143S92.7Very high88.6Confident1 Ų122.7 Ų22.71%0.00712%0.116CC..Hα-helixtrans-66.9-35176.876.70000113.5K17 F139 E140 F141 C146 V147K17-S143 WeakPolarHBondContact CE-OG 3.2Å; F139-S143 WeakPolarHBondContact O-CB 3.31Å; F139-S143 PolarHBondContact O-N 3.34Å; F139-S143 PolarHBondContact O-OG 3.01Å; E140-S143 PolarHBondContact O-N 3.46Å; E140-S143 PolarHBondContact O-OG 3.27Å; F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 2.99Å; S143-C146 WeakPolarHBondContact O-CB 3.49Å; S143-C146 PolarHBondContact O-N 3.35Å; S143-V147 WeakPolarHBondContact O-CG2 3.31Å; S143-V147 PolarHBondContact O-N 3.11Å
144T87.9Confident88.2Confident16 Ų1629.3 Ų29.310%0.09815%0.146CC..Hα-helixtrans-64.5-44.2175.6-620000110.1E140 F141 G142 C146 V147 E148E140-T144 WeakPolarHBondContact O-CB 3.12Å; E140-T144 PolarHBondContact O-N 3.17Å; E140-T144 PolarHBondContact O-OG1 3.03Å; F141-T144 WeakPolarHBondContact O-CB 3.44Å; F141-T144 PolarHBondContact O-N 3.07Å; F141-T144 VanDerWaalsContact O-N 3.12Å; G142-T144 PolarHBondContact O-N 3.44Å; T144-C146 VanDerWaalsContact C-N 3.34Å; T144-C146 PolarHBondContact O-N 3.43Å; T144-V147 PolarHBondContact O-N 3.04Å; T144-E148 PolarHBondContact O-N 2.89Å
145V87.1Confident87.8Confident3 Ų329 Ų292%0.01815%0.146CC..Hα-helixtrans-60.8-43.5174.2-179.50000111.2L107 L109 F141 G142 V147 E148 C149 I162L107-V145 HydrophobicContact CD2-CG1 4.28Å; L107-V145 HydrophobicContact CD2-CG2 3.55Å; L109-V145 HydrophobicContact CD1-CB 4.5Å; L109-V145 HydrophobicContact CD1-CG1 3.22Å; F141-V145 HydrophobicContact CD2-CG2 4.3Å; F141-V145 HydrophobicContact CE1-CG2 4.2Å; F141-V145 HydrophobicContact CE2-CG2 3.9Å; F141-V145 HydrophobicContact CZ-CG2 3.86Å; F141-V145 WeakPolarHBondContact O-CG2 3.3Å; F141-V145 PolarHBondContact O-N 3.06Å; G142-V145 PolarHBondContact O-N 3.42Å; V145-V147 VanDerWaalsContact C-N 3.32Å; V145-V147 PolarHBondContact O-N 3.38Å; V145-E148 PolarHBondContact O-N 2.9Å; V145-C149 PolarHBondContact O-N 3.25Å; V145-C149 PolarHBondContact O-SG 3.3Å; V145-C149 VanDerWaalsContact O-SG 3.4Å; V145-I162 HydrophobicContact CB-CD1 4.29Å; V145-I162 HydrophobicContact CG1-CD1 3.5Å; V145-I162 HydrophobicContact CG1-CG1 4.4Å
146C90.8Very high87.2Confident0 Ų031.3 Ų31.30%016%0.16CC..Hα-helixtrans-59.2-41.6175.5-71.10000112.5I14 L18 G142 S143 T144 C149 A150 V159 I162I14-C146 HydrophobicContact CG2-CB 4.05Å; L18-C146 HydrophobicContact CD2-CB 4.41Å; G142-C146 PolarHBondContact O-N 3.16Å; G142-C146 PolarHBondContact O-SG 3.45Å; G142-C146 VanDerWaalsContact O-SG 3.34Å; S143-C146 WeakPolarHBondContact O-CB 3.49Å; S143-C146 PolarHBondContact O-N 3.35Å; T144-C146 VanDerWaalsContact C-N 3.34Å; T144-C146 PolarHBondContact O-N 3.43Å; C146-C149 PolarHBondContact O-N 3.07Å; C146-A150 VanDerWaalsContact O-CB 3.31Å; C146-A150 WeakPolarHBondContact O-CB 3.23Å; C146-A150 PolarHBondContact O-N 2.94Å; C146-V159 HydrophobicContact CB-CG1 4.13Å; C146-V159 HydrophobicContact CB-CG2 4.23Å; C146-I162 VanDerWaalsContact SG-CG2 3.55Å
147V88.9Confident86.7Confident13 Ų1333.1 Ų33.18%0.07917%0.174CC..Hα-helixtrans-62.4-44176.3168.20000111.2L18 R21 S143 T144 V145 A150 S151L18-V147 HydrophobicContact CD2-CB 4.48Å; L18-V147 HydrophobicContact CD2-CG2 3.9Å; R21-V147 HydrophobicContact CB-CG1 4.23Å; R21-V147 HydrophobicContact CB-CG2 4.48Å; R21-V147 HydrophobicContact CG-CG1 3.82Å; R21-V147 HydrophobicContact CG-CG2 3.9Å; S143-V147 WeakPolarHBondContact O-CG2 3.31Å; S143-V147 PolarHBondContact O-N 3.11Å; T144-V147 PolarHBondContact O-N 3.04Å; V145-V147 VanDerWaalsContact C-N 3.32Å; V145-V147 PolarHBondContact O-N 3.38Å; V147-A150 PolarHBondContact O-N 3.25Å; V147-S151 PolarHBondContact O-N 3.02Å; V147-S151 VanDerWaalsContact O-N 3.17Å
148E85.1Confident86.7Confident56 Ų5633.4 Ų33.426%0.26218%0.175SC..Hα-helixtrans-62.5-45.3175.7-69.4-59149.700111.7S104 T144 V145 A150 S151S104-E148 PolarHBondContact OG-OE1 2.9Å; T144-E148 PolarHBondContact O-N 2.89Å; V145-E148 PolarHBondContact O-N 2.9Å; E148-A150 PolarHBondContact O-N 3.4Å; E148-S151 WeakPolarHBondContact O-CB 3.41Å; E148-S151 PolarHBondContact O-N 3.41Å; E148-S151 PolarHBondContact O-OG 3.46Å
149C86.6Confident86.5Confident4 Ų433.4 Ų33.43%0.02718%0.175CC..Hα-helixtrans-62.1-41.4176-71.60000112V145 C146 S151 K152 M155 Q158 V159V145-C149 PolarHBondContact O-N 3.25Å; V145-C149 PolarHBondContact O-SG 3.3Å; V145-C149 VanDerWaalsContact O-SG 3.4Å; C146-C149 PolarHBondContact O-N 3.07Å; C149-S151 PolarHBondContact O-N 2.96Å; C149-K152 PolarHBondContact O-N 2.92Å; C149-K152 VanDerWaalsContact O-N 3.09Å; C149-M155 HydrophobicContact CB-CB 4.05Å; C149-Q158 HydrophobicContact CB-CB 4.29Å; C149-V159 HydrophobicContact CB-CG2 4.04Å
150A86.6Confident86.3Confident10 Ų1035 Ų358%0.08318%0.183CC..Hα-helixtrans-65-22.8177.500000113.1L18 Y23 L48 C146 V147 E148 K152 V159L18-A150 HydrophobicContact CD2-CB 3.81Å; Y23-A150 HydrophobicContact CD1-CB 3.87Å; Y23-A150 HydrophobicContact CD2-CB 4.27Å; Y23-A150 HydrophobicContact CE1-CB 4.02Å; Y23-A150 WeakPolarHBondContact CE1-O 3.48Å; Y23-A150 HydrophobicContact CE2-CB 4.43Å; Y23-A150 HydrophobicContact CG-CB 4Å; L48-A150 HydrophobicContact CD1-CB 4.3Å; C146-A150 VanDerWaalsContact O-CB 3.31Å; C146-A150 WeakPolarHBondContact O-CB 3.23Å; C146-A150 PolarHBondContact O-N 2.94Å; V147-A150 PolarHBondContact O-N 3.25Å; E148-A150 PolarHBondContact O-N 3.4Å; A150-K152 VanDerWaalsContact C-N 3.31Å; A150-V159 HydrophobicContact CB-CG2 4.47Å
151S83.1Confident86.3Confident63 Ų6337.4 Ų37.444%0.44120%0.196SC..Hα-helixtrans-76-16.9175810000114.1Y23 V147 E148 C149Y23-S151 WeakPolarHBondContact OH-CA 3.27Å; Y23-S151 WeakPolarHBondContact OH-CB 3.34Å; V147-S151 PolarHBondContact O-N 3.02Å; V147-S151 VanDerWaalsContact O-N 3.17Å; E148-S151 WeakPolarHBondContact O-CB 3.41Å; E148-S151 PolarHBondContact O-N 3.41Å; E148-S151 PolarHBondContact O-OG 3.46Å; C149-S151 PolarHBondContact O-N 2.96Å
152K84.2Confident86.5Confident94 Ų9437.1 Ų37.141%0.40920%0.195SC..SBendtrans-116.2113.6-176.2-60.9172-171.4169.90109.4C149 A150 E154 M155 T156C149-K152 PolarHBondContact O-N 2.92Å; C149-K152 VanDerWaalsContact O-N 3.09Å; A150-K152 VanDerWaalsContact C-N 3.31Å; K152-E154 PolarHBondContact O-N 3.3Å; K152-E154 VanDerWaalsContact O-N 3.14Å; K152-M155 HydrophobicContact CB-CB 4.05Å; K152-M155 HydrophobicContact CB-CG 4.04Å; K152-M155 HydrophobicContact CD-CG 4.29Å; K152-M155 PolarHBondContact O-N 3.4Å; K152-T156 PolarHBondContact O-N 3.26Å
153E77.5Confident86.7Confident177 Ų17737.4 Ų37.483%0.82720%0.197SC*.G310 helixtrans-52.2-42.2-173.9-170.3172.6-176.500113.1M155 T156E153-M155 PolarHBondContact O-N 3.08Å; E153-T156 WeakPolarHBondContact O-CG2 3.26Å; E153-T156 PolarHBondContact O-N 3.42Å; E153-T156 PolarHBondContact O-OG1 2.86Å
154E79.8Confident86.7Confident142 Ų14242.4 Ų42.466%0.66422%0.22SC*.G310 helixtrans-67.7-15.1178.868.6-154.9-171.600115.2R111 K152R111-E154 PolarHBondContact NH2-O 3.47Å; K152-E154 PolarHBondContact O-N 3.3Å; K152-E154 VanDerWaalsContact O-N 3.14Å
155M81.9Confident87.1Confident10 Ų1043 Ų435%0.04922%0.221CC..G310 helixtrans-109.6-1-176.4-63.3-114.882.900113.1R111 C149 K152 E153 S157 Q158R111-M155 HydrophobicContact CB-CE 3.98Å; C149-M155 HydrophobicContact CB-CB 4.05Å; K152-M155 HydrophobicContact CB-CB 4.05Å; K152-M155 HydrophobicContact CB-CG 4.04Å; K152-M155 HydrophobicContact CD-CG 4.29Å; K152-M155 PolarHBondContact O-N 3.4Å; E153-M155 PolarHBondContact O-N 3.08Å; M155-S157 VanDerWaalsContact C-N 3.26Å; M155-S157 PolarHBondContact O-N 2.87Å; M155-Q158 HydrophobicContact CB-CG 4.5Å; M155-Q158 HydrophobicContact CE-CG 3.5Å; M155-Q158 WeakPolarHBondContact O-CB 3.29Å; M155-Q158 PolarHBondContact O-N 3.04Å
156T79.8Confident87.5Confident49 Ų4942.8 Ų42.830%0.30122%0.22SC..THydrogen-bonded Turntrans-53.1-40.9-178480000113.1L48 K152 E153 Q158 V159L48-T156 HydrophobicContact CB-CG2 4.43Å; L48-T156 HydrophobicContact CD1-CG2 4.12Å; L48-T156 VanDerWaalsContact CD1-O 3.31Å; L48-T156 WeakPolarHBondContact CD1-O 3.36Å; K152-T156 PolarHBondContact O-N 3.26Å; E153-T156 WeakPolarHBondContact O-CG2 3.26Å; E153-T156 PolarHBondContact O-N 3.42Å; E153-T156 PolarHBondContact O-OG1 2.86Å; T156-Q158 PolarHBondContact O-N 2.91Å; T156-Q158 VanDerWaalsContact O-N 3.15Å; T156-V159 PolarHBondContact O-N 3.12Å; T156-V159 VanDerWaalsContact O-N 3.17Å
157S83.3Confident87.8Confident50 Ų5043.3 Ų43.335%0.3522%0.223SC..THydrogen-bonded Turntrans-65.7-12.8175.963.40000114.7M155 V159 N161M155-S157 VanDerWaalsContact C-N 3.26Å; M155-S157 PolarHBondContact O-N 2.87Å; S157-V159 VanDerWaalsContact C-N 3.32Å; S157-N161 PolarHBondContact O-ND2 3.29Å
158Q85.9Confident88.1Confident7 Ų746.9 Ų46.93%0.03324%0.239CC..Hα-helixtrans-74.2-22.9174.4-63.4-58.2-70.300112.9C149 M155 T156 D160 N161 I162C149-Q158 HydrophobicContact CB-CB 4.29Å; M155-Q158 HydrophobicContact CB-CG 4.5Å; M155-Q158 HydrophobicContact CE-CG 3.5Å; M155-Q158 WeakPolarHBondContact O-CB 3.29Å; M155-Q158 PolarHBondContact O-N 3.04Å; T156-Q158 PolarHBondContact O-N 2.91Å; T156-Q158 VanDerWaalsContact O-N 3.15Å; Q158-D160 VanDerWaalsContact C-N 3.27Å; Q158-D160 PolarHBondContact O-N 3.25Å; Q158-N161 PolarHBondContact NE2-ND2 3.31Å; Q158-N161 VanDerWaalsContact NE2-ND2 3.12Å; Q158-N161 PolarHBondContact O-N 3.49Å; Q158-I162 HydrophobicContact CB-CD1 4.26Å; Q158-I162 WeakPolarHBondContact O-CB 3.23Å; Q158-I162 VanDerWaalsContact O-CD1 3.3Å; Q158-I162 WeakPolarHBondContact O-CD1 3.3Å; Q158-I162 WeakPolarHBondContact O-CG1 3.28Å; Q158-I162 PolarHBondContact O-N 3.03Å
159V89.7Confident88.7Confident0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-60-41.8179.1176.10000110.7I14 L18 W25 L48 C146 C149 A150 T156 S157 I162 A163I14-V159 HydrophobicContact CG2-CG1 4.15Å; L18-V159 HydrophobicContact CD1-CG1 3.91Å; W25-V159 HydrophobicContact CD2-CG1 4Å; W25-V159 HydrophobicContact CG-CG1 4.25Å; W25-V159 HydrophobicContact CZ2-CG1 4.1Å; L48-V159 HydrophobicContact CD1-CB 3.9Å; L48-V159 HydrophobicContact CD1-CG1 4.45Å; L48-V159 HydrophobicContact CD1-CG2 3.55Å; C146-V159 HydrophobicContact CB-CG1 4.13Å; C146-V159 HydrophobicContact CB-CG2 4.23Å; C149-V159 HydrophobicContact CB-CG2 4.04Å; A150-V159 HydrophobicContact CB-CG2 4.47Å; T156-V159 PolarHBondContact O-N 3.12Å; T156-V159 VanDerWaalsContact O-N 3.17Å; S157-V159 VanDerWaalsContact C-N 3.32Å; V159-I162 PolarHBondContact O-N 3.03Å; V159-A163 PolarHBondContact O-N 2.92Å
160D90.1Very high89.1Confident32 Ų3245.7 Ų45.717%0.17123%0.232CC..Hα-helixtrans-66.1-43.9176.8-58.9-38.9000111.6W25 Q158 I162 A163 E164W25-D160 VanDerWaalsContact CZ2-OD1 3.32Å; W25-D160 WeakPolarHBondContact CZ2-OD1 3.49Å; W25-D160 PolarHBondContact NE1-OD1 3.11Å; Q158-D160 VanDerWaalsContact C-N 3.27Å; Q158-D160 PolarHBondContact O-N 3.25Å; D160-I162 VanDerWaalsContact C-N 3.34Å; D160-I162 PolarHBondContact O-N 3.3Å; D160-A163 PolarHBondContact O-N 3.44Å; D160-E164 PolarHBondContact O-N 2.85Å
161N91.9Very high89.6Confident51 Ų5147.3 Ų47.327%0.27324%0.239SC..Hα-helixtrans-62.4-40.8177.4-66.4-40.3000111.9S157 Q158 E164 W165S157-N161 PolarHBondContact O-ND2 3.29Å; Q158-N161 PolarHBondContact NE2-ND2 3.31Å; Q158-N161 VanDerWaalsContact NE2-ND2 3.12Å; Q158-N161 PolarHBondContact O-N 3.49Å; N161-E164 WeakPolarHBondContact O-CB 3.35Å; N161-E164 PolarHBondContact O-N 3.23Å; N161-W165 HydrophobicContact CB-CH2 3.94Å; N161-W165 HydrophobicContact CB-CZ2 3.56Å; N161-W165 VanDerWaalsContact O-CD1 3.27Å; N161-W165 PolarHBondContact O-N 2.77Å; N161-W165 PolarHBondContact O-NE1 2.63Å
162I92.6Very high90.1Very high2 Ų246.2 Ų46.21%0.0124%0.237CC..Hα-helixtrans-65.9-43.2177.9-65.6155.8000110.2F118 V145 C146 Q158 V159 D160 E164 W165 M166F118-I162 HydrophobicContact CE2-CG2 3.99Å; F118-I162 HydrophobicContact CZ-CG2 4.36Å; V145-I162 HydrophobicContact CB-CD1 4.29Å; V145-I162 HydrophobicContact CG1-CD1 3.5Å; V145-I162 HydrophobicContact CG1-CG1 4.4Å; C146-I162 VanDerWaalsContact SG-CG2 3.55Å; Q158-I162 HydrophobicContact CB-CD1 4.26Å; Q158-I162 WeakPolarHBondContact O-CB 3.23Å; Q158-I162 VanDerWaalsContact O-CD1 3.3Å; Q158-I162 WeakPolarHBondContact O-CD1 3.3Å; Q158-I162 WeakPolarHBondContact O-CG1 3.28Å; Q158-I162 PolarHBondContact O-N 3.03Å; V159-I162 PolarHBondContact O-N 3.03Å; D160-I162 VanDerWaalsContact C-N 3.34Å; D160-I162 PolarHBondContact O-N 3.3Å; I162-E164 VanDerWaalsContact C-N 3.28Å; I162-E164 PolarHBondContact O-N 3.42Å; I162-W165 HydrophobicContact CG1-CE3 4.09Å; I162-W165 HydrophobicContact CG1-CZ3 3.9Å; I162-W165 PolarHBondContact O-N 3.31Å; I162-M166 HydrophobicContact CG2-CG 4.35Å; I162-M166 HydrophobicContact CG2-SD 4.13Å; I162-M166 WeakPolarHBondContact O-CB 3.33Å; I162-M166 VanDerWaalsContact O-CG 3.27Å; I162-M166 WeakPolarHBondContact O-CG 3.38Å; I162-M166 PolarHBondContact O-N 3.21Å
163A94.5Very high90.6Very high5 Ų545.3 Ų45.34%0.04124%0.241CC..Hα-helixtrans-60.1-40.517500000111.8V10 I14 W25 V159 D160 T167V10-A163 HydrophobicContact CG1-CB 4.13Å; I14-A163 HydrophobicContact CD1-CB 3.61Å; W25-A163 HydrophobicContact CH2-CB 3.59Å; W25-A163 HydrophobicContact CZ2-CB 4.04Å; V159-A163 PolarHBondContact O-N 2.92Å; D160-A163 PolarHBondContact O-N 3.44Å; A163-T167 WeakPolarHBondContact O-CB 3.33Å; A163-T167 PolarHBondContact O-N 3.16Å; A163-T167 PolarHBondContact O-OG1 3.43Å
164E94.4Very high91.5Very high106 Ų10637 Ų3750%0.49520%0.202SC..Hα-helixtrans-62.7-51.6173.7-176.6175.7-148.700111.4D160 N161 I162 M166 T167 E168D160-E164 PolarHBondContact O-N 2.85Å; N161-E164 WeakPolarHBondContact O-CB 3.35Å; N161-E164 PolarHBondContact O-N 3.23Å; I162-E164 VanDerWaalsContact C-N 3.28Å; I162-E164 PolarHBondContact O-N 3.42Å; E164-M166 VanDerWaalsContact C-N 3.27Å; E164-M166 PolarHBondContact O-N 3.2Å; E164-T167 CarbonylContact O-C 3.58Å; E164-T167 WeakPolarHBondContact O-CA 3.48Å; E164-T167 WeakPolarHBondContact O-CB 3.48Å; E164-T167 PolarHBondContact O-N 3.26Å; E164-E168 HydrophobicContact CG-CG 4.45Å; E164-E168 WeakPolarHBondContact O-CG 3.41Å; E164-E168 PolarHBondContact O-N 3.49Å
165W94.9Very high92.3Very high28 Ų2832.5 Ų32.511%0.10618%0.183CC..Hα-helixtrans-61.5-36.8179.6-56.8-22.5000112.4A114 R115 F118 N161 I162 T167 E168 Y169A114-W165 HydrophobicContact CB-CH2 3.81Å; A114-W165 HydrophobicContact CB-CZ3 4.1Å; R115-W165 VanDerWaalsContact CA-CH2 3.49Å; R115-W165 HydrophobicContact CB-CD2 4.41Å; R115-W165 HydrophobicContact CB-CH2 3.75Å; R115-W165 HydrophobicContact CB-CZ2 3.51Å; R115-W165 HydrophobicContact CB-CZ3 4.28Å; R115-W165 HydrophobicContact CG-CD2 4.1Å; R115-W165 HydrophobicContact CG-CH2 4.46Å; R115-W165 HydrophobicContact CG-CZ2 3.9Å; R115-W165 VanDerWaalsContact N-CH2 3.32Å; F118-W165 HydrophobicContact CB-CE3 4.05Å; F118-W165 HydrophobicContact CB-CZ3 4.24Å; F118-W165 HydrophobicContact CD1-CB 4.19Å; F118-W165 HydrophobicContact CD1-CE3 4.07Å; F118-W165 HydrophobicContact CE1-CB 4.13Å; F118-W165 HydrophobicContact CG-CE3 4.03Å; N161-W165 HydrophobicContact CB-CH2 3.94Å; N161-W165 HydrophobicContact CB-CZ2 3.56Å; N161-W165 VanDerWaalsContact O-CD1 3.27Å; N161-W165 PolarHBondContact O-N 2.77Å; N161-W165 PolarHBondContact O-NE1 2.63Å; I162-W165 HydrophobicContact CG1-CE3 4.09Å; I162-W165 HydrophobicContact CG1-CZ3 3.9Å; I162-W165 PolarHBondContact O-N 3.31Å; W165-T167 VanDerWaalsContact C-N 3.32Å; W165-E168 PolarHBondContact O-N 3.18Å; W165-Y169 WeakPolarHBondContact O-CB 3.38Å; W165-Y169 PolarHBondContact O-N 2.97Å
166M96.9Very high93Very high0 Ų035.4 Ų35.40%020%0.204CC..Hα-helixtrans-63.5-42.9175-75.1179.974.900111.5V10 I14 F118 F138 F139 I162 E164 Y169 L170V10-M166 HydrophobicContact CG1-CB 3.83Å; V10-M166 HydrophobicContact CG1-SD 4.24Å; V10-M166 HydrophobicContact CG2-CB 4.07Å; I14-M166 HydrophobicContact CD1-SD 4.02Å; F118-M166 HydrophobicContact CE1-CG 4.28Å; F118-M166 HydrophobicContact CZ-CG 3.65Å; F138-M166 HydrophobicContact CD1-CE 4.29Å; F138-M166 HydrophobicContact CE1-CB 4.3Å; F138-M166 HydrophobicContact CE1-CE 3.96Å; F138-M166 HydrophobicContact CE1-CG 4.38Å; F138-M166 HydrophobicContact CE2-CG 4.09Å; F138-M166 HydrophobicContact CZ-CB 3.79Å; F138-M166 HydrophobicContact CZ-CE 4.22Å; F138-M166 HydrophobicContact CZ-CG 3.76Å; F139-M166 HydrophobicContact CB-CE 4.47Å; F139-M166 HydrophobicContact CD1-CE 3.88Å; F139-M166 HydrophobicContact CE1-CE 4.34Å; F139-M166 HydrophobicContact CG-CE 4.13Å; I162-M166 HydrophobicContact CG2-CG 4.35Å; I162-M166 HydrophobicContact CG2-SD 4.13Å; I162-M166 WeakPolarHBondContact O-CB 3.33Å; I162-M166 VanDerWaalsContact O-CG 3.27Å; I162-M166 WeakPolarHBondContact O-CG 3.38Å; I162-M166 PolarHBondContact O-N 3.21Å; E164-M166 VanDerWaalsContact C-N 3.27Å; E164-M166 PolarHBondContact O-N 3.2Å; M166-Y169 PolarHBondContact O-N 3.32Å; M166-L170 WeakPolarHBondContact O-CG 3.33Å; M166-L170 PolarHBondContact O-N 3.29Å
167T96.7Very high93.8Very high10 Ų1035.6 Ų35.66%0.06120%0.199CC..Hα-helixtrans-64.4-45.3176.8-58.10000111.3R7 A163 E164 W165 Y169 L170 N171R7-T167 HydrophobicContact CB-CG2 3.75Å; R7-T167 HydrophobicContact CG-CG2 4.28Å; A163-T167 WeakPolarHBondContact O-CB 3.33Å; A163-T167 PolarHBondContact O-N 3.16Å; A163-T167 PolarHBondContact O-OG1 3.43Å; E164-T167 CarbonylContact O-C 3.58Å; E164-T167 WeakPolarHBondContact O-CA 3.48Å; E164-T167 WeakPolarHBondContact O-CB 3.48Å; E164-T167 PolarHBondContact O-N 3.26Å; W165-T167 VanDerWaalsContact C-N 3.32Å; T167-Y169 VanDerWaalsContact C-N 3.29Å; T167-Y169 PolarHBondContact O-N 2.9Å; T167-L170 PolarHBondContact O-N 2.89Å; T167-N171 WeakPolarHBondContact CG2-ND2 3.27Å; T167-N171 WeakPolarHBondContact O-CB 3.45Å; T167-N171 VanDerWaalsContact O-CG 3.32Å; T167-N171 PolarHBondContact O-N 3.4Å; T167-N171 PolarHBondContact O-ND2 3.04Å; T167-N171 VanDerWaalsContact O-ND2 3.16Å
168E95.7Very high94.4Very high89 Ų8933.3 Ų33.342%0.41618%0.183SC..Hα-helixtrans-56.8-43.2174.3-72-177.3162.200111.2R115 E164 W165 N171 G172R115-E168 IonicContact NH2-OE1 3.13Å; R115-E168 IonicContact NH2-OE2 3.93Å; R115-E168 PolarHBondContact NH2-OE2 3.34Å; R115-E168 VanDerWaalsContact NH2-OE2 3.15Å; E164-E168 HydrophobicContact CG-CG 4.45Å; E164-E168 WeakPolarHBondContact O-CG 3.41Å; E164-E168 PolarHBondContact O-N 3.49Å; W165-E168 PolarHBondContact O-N 3.18Å; E168-N171 PolarHBondContact O-N 3.22Å; E168-G172 PolarHBondContact O-N 2.65Å
169Y95.9Very high94.9Very high35 Ų3538 Ų3814%0.13721%0.205CC..Hα-helixtrans-69.4-37.7-178.8-153.9-88000112.5I122 N123 F126 F138 W165 M166 T167 G172 P173 L174I122-Y169 HydrophobicContact CB-CE2 4.41Å; I122-Y169 HydrophobicContact CG2-CD1 3.77Å; I122-Y169 HydrophobicContact CG2-CD2 3.96Å; I122-Y169 HydrophobicContact CG2-CE1 3.47Å; I122-Y169 VanDerWaalsContact CG2-CE1 3.47Å; I122-Y169 HydrophobicContact CG2-CE2 3.65Å; I122-Y169 HydrophobicContact CG2-CG 4.01Å; I122-Y169 VanDerWaalsContact CG2-CZ 3.41Å; N123-Y169 PolarHBondContact OD1-OH 3.15Å; N123-Y169 VanDerWaalsContact OD1-OH 3.12Å; F126-Y169 AromaticContact CD2-CE1 3.59Å; F126-Y169 HydrophobicContact CD2-CE1 3.59Å; F126-Y169 HydrophobicContact CE2-CD1 4.4Å; F126-Y169 AromaticContact CE2-CE1 3.84Å; F126-Y169 HydrophobicContact CE2-CE1 3.84Å; F138-Y169 HydrophobicContact CE2-CD1 4.43Å; F138-Y169 HydrophobicContact CZ-CD1 4.47Å; W165-Y169 WeakPolarHBondContact O-CB 3.38Å; W165-Y169 PolarHBondContact O-N 2.97Å; M166-Y169 PolarHBondContact O-N 3.32Å; T167-Y169 VanDerWaalsContact C-N 3.29Å; T167-Y169 PolarHBondContact O-N 2.9Å; Y169-G172 PolarHBondContact O-N 3.36Å; Y169-P173 HydrophobicContact CD1-CB 4.24Å; Y169-P173 HydrophobicContact CD1-CG 4.42Å; Y169-P173 HydrophobicContact CD2-CG 4.02Å; Y169-P173 HydrophobicContact CE1-CB 3.79Å; Y169-P173 HydrophobicContact CE1-CG 4.2Å; Y169-P173 HydrophobicContact CE2-CB 4.24Å; Y169-P173 HydrophobicContact CE2-CG 3.81Å; Y169-P173 HydrophobicContact CG-CG 4.32Å; Y169-P173 VanDerWaalsContact O-CD 3.29Å; Y169-P173 WeakPolarHBondContact O-CD 3.21Å; Y169-L174 HydrophobicContact CD1-CD1 3.72Å; Y169-L174 HydrophobicContact CD1-CD2 4.41Å; Y169-L174 HydrophobicContact CD1-CG 3.68Å; Y169-L174 HydrophobicContact CE1-CD1 4.06Å; Y169-L174 HydrophobicContact CE1-CD2 4Å; Y169-L174 HydrophobicContact CE1-CG 3.77Å; Y169-L174 PolarHBondContact O-N 2.85Å
170L96.8Very high95.2Very high0 Ų044.5 Ų44.50%024%0.24CC..Hα-helixtrans-65.4-42.1173.9-74.8169.5000112.3N6 V10 F138 F139 M166 T167 G172 L174 D175 I178 W184N6-L170 HydrophobicContact CB-CB 3.98Å; N6-L170 HydrophobicContact CB-CD1 4.2Å; V10-L170 HydrophobicContact CG2-CD1 3.42Å; V10-L170 VanDerWaalsContact CG2-CD1 3.42Å; F138-L170 HydrophobicContact CE1-CD1 4.38Å; F138-L170 HydrophobicContact CE1-CD2 4.18Å; F138-L170 HydrophobicContact CE1-CG 3.98Å; F139-L170 HydrophobicContact CE2-CD1 4.08Å; F139-L170 HydrophobicContact CE2-CD2 4.19Å; F139-L170 HydrophobicContact CZ-CD1 3.65Å; M166-L170 WeakPolarHBondContact O-CG 3.33Å; M166-L170 PolarHBondContact O-N 3.29Å; T167-L170 PolarHBondContact O-N 2.89Å; L170-G172 VanDerWaalsContact C-N 3.29Å; L170-G172 PolarHBondContact O-N 3.46Å; L170-L174 HydrophobicContact CD2-CB 4.45Å; L170-L174 HydrophobicContact CD2-CD1 3.85Å; L170-D175 WeakPolarHBondContact O-CA 3.48Å; L170-D175 WeakPolarHBondContact O-CB 3.27Å; L170-D175 PolarHBondContact O-N 3.38Å; L170-D175 VanDerWaalsContact O-N 3.08Å; L170-I178 HydrophobicContact CD2-CD1 3.94Å; L170-W184 HydrophobicContact CD2-CZ2 4.07Å
171N95.7Very high95.5Very high44 Ų4446.4 Ų46.424%0.23525%0.25CC..Hα-helixtrans-76.9-14.6179.6-69.6-33.9000113.8N3 N6 T167 E168N3-N171 PolarHBondContact OD1-ND2 3.33Å; N6-N171 WeakPolarHBondContact CB-OD1 3.41Å; N6-N171 PolarHBondContact ND2-OD1 3.12Å; T167-N171 WeakPolarHBondContact CG2-ND2 3.27Å; T167-N171 WeakPolarHBondContact O-CB 3.45Å; T167-N171 VanDerWaalsContact O-CG 3.32Å; T167-N171 PolarHBondContact O-N 3.4Å; T167-N171 PolarHBondContact O-ND2 3.04Å; T167-N171 VanDerWaalsContact O-ND2 3.16Å; E168-N171 PolarHBondContact O-N 3.22Å
172G94.6Very high95.6Very high39 Ų3946.3 Ų46.340%0.40226%0.261SS..THydrogen-bonded Turntrans-109.4-101.1-179.600000111.3E168 Y169 L170 L174 D175E168-G172 PolarHBondContact O-N 2.65Å; Y169-G172 PolarHBondContact O-N 3.36Å; L170-G172 VanDerWaalsContact C-N 3.29Å; L170-G172 PolarHBondContact O-N 3.46Å; G172-L174 PolarHBondContact O-N 3.22Å; G172-L174 VanDerWaalsContact O-N 3.11Å; G172-D175 PolarHBondContact O-N 3.43Å
173P94.8Very high95.7Very high76 Ų7646.7 Ų46.749%0.49427%0.265SS..THydrogen-bonded Turntrans-52.1-34.1-174.6-30.736.1000116.2Y169Y169-P173 HydrophobicContact CD1-CB 4.24Å; Y169-P173 HydrophobicContact CD1-CG 4.42Å; Y169-P173 HydrophobicContact CD2-CG 4.02Å; Y169-P173 HydrophobicContact CE1-CB 3.79Å; Y169-P173 HydrophobicContact CE1-CG 4.2Å; Y169-P173 HydrophobicContact CE2-CB 4.24Å; Y169-P173 HydrophobicContact CE2-CG 3.81Å; Y169-P173 HydrophobicContact CG-CG 4.32Å; Y169-P173 VanDerWaalsContact O-CD 3.29Å; Y169-P173 WeakPolarHBondContact O-CD 3.21Å
174L96.3Very high95.8Very high1 Ų146.6 Ų46.61%0.00526%0.264CS..THydrogen-bonded Turntrans-94.2-16-175.3-57.6-179.9000114.3F126 V130 I135 Y169 L170 G172 S176 W177 I178F126-L174 HydrophobicContact CD1-CD2 4.02Å; F126-L174 HydrophobicContact CD2-CD2 4.21Å; F126-L174 HydrophobicContact CE1-CD1 4.47Å; F126-L174 HydrophobicContact CE1-CD2 3.95Å; F126-L174 HydrophobicContact CE2-CD1 3.98Å; F126-L174 HydrophobicContact CE2-CD2 4.14Å; F126-L174 HydrophobicContact CG-CD2 4.15Å; F126-L174 HydrophobicContact CZ-CD1 3.83Å; F126-L174 HydrophobicContact CZ-CD2 4.02Å; V130-L174 HydrophobicContact CB-CD2 4.47Å; V130-L174 HydrophobicContact CG1-CD2 3.81Å; V130-L174 HydrophobicContact CG2-CD2 3.75Å; I135-L174 HydrophobicContact CG1-CD1 4.42Å; Y169-L174 HydrophobicContact CD1-CD1 3.72Å; Y169-L174 HydrophobicContact CD1-CD2 4.41Å; Y169-L174 HydrophobicContact CD1-CG 3.68Å; Y169-L174 HydrophobicContact CE1-CD1 4.06Å; Y169-L174 HydrophobicContact CE1-CD2 4Å; Y169-L174 HydrophobicContact CE1-CG 3.77Å; Y169-L174 PolarHBondContact O-N 2.85Å; L170-L174 HydrophobicContact CD2-CB 4.45Å; L170-L174 HydrophobicContact CD2-CD1 3.85Å; G172-L174 PolarHBondContact O-N 3.22Å; G172-L174 VanDerWaalsContact O-N 3.11Å; L174-S176 PolarHBondContact O-N 3.38Å; L174-W177 PolarHBondContact O-N 2.97Å; L174-I178 HydrophobicContact CB-CD1 3.99Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 3.39Å
175D95.7Very high95.7Very high49 Ų4947.4 Ų47.426%0.26227%0.272SS..Hα-helixtrans-59.5-54.4-169.4-176.364000111.7L170 G172 W177 I178 Q179L170-D175 WeakPolarHBondContact O-CA 3.48Å; L170-D175 WeakPolarHBondContact O-CB 3.27Å; L170-D175 PolarHBondContact O-N 3.38Å; L170-D175 VanDerWaalsContact O-N 3.08Å; G172-D175 PolarHBondContact O-N 3.43Å; D175-W177 VanDerWaalsContact C-N 3.33Å; D175-W177 PolarHBondContact O-N 3.29Å; D175-I178 PolarHBondContact O-N 3.33Å; D175-I178 VanDerWaalsContact O-N 3.12Å; D175-Q179 WeakPolarHBondContact O-CG 3.41Å; D175-Q179 PolarHBondContact O-N 2.96Å
176S96.1Very high95.6Very high71 Ų7147 Ų4750%0.49728%0.275SS..Hα-helixtrans-55.5-46179.557.40000112.7L174 I178 Q179 D180L174-S176 PolarHBondContact O-N 3.38Å; S176-I178 PolarHBondContact O-N 3.35Å; S176-Q179 PolarHBondContact O-N 3.45Å; S176-D180 WeakPolarHBondContact O-CB 3.13Å; S176-D180 PolarHBondContact O-N 3.2Å
177W96.6Very high95.4Very high53 Ų5347.2 Ų47.220%0.20128%0.275CS..Hα-helixtrans-64.1-42.4179-174.392.3000111.6V130 N131 W132 I135 L174 D175 Q179 D180 N181V130-W177 HydrophobicContact CB-CB 4.33Å; V130-W177 HydrophobicContact CB-CD2 3.7Å; V130-W177 HydrophobicContact CB-CE3 4.31Å; V130-W177 HydrophobicContact CB-CG 3.67Å; V130-W177 HydrophobicContact CG1-CB 4.31Å; V130-W177 HydrophobicContact CG1-CD2 3.39Å; V130-W177 HydrophobicContact CG1-CE3 3.48Å; V130-W177 VanDerWaalsContact CG1-CE3 3.48Å; V130-W177 HydrophobicContact CG1-CG 3.76Å; V130-W177 HydrophobicContact CG1-CZ2 4.48Å; V130-W177 HydrophobicContact CG1-CZ3 4.09Å; V130-W177 HydrophobicContact CG2-CG 4.38Å; V130-W177 VanDerWaalsContact O-CE2 3.28Å; V130-W177 WeakPolarHBondContact O-CZ2 3.45Å; V130-W177 PolarHBondContact O-NE1 3.3Å; N131-W177 HydrophobicContact CB-CZ2 4.43Å; W132-W177 HydrophobicContact CD2-CH2 4.07Å; W132-W177 AromaticContact CD2-CZ3 3.9Å; W132-W177 HydrophobicContact CD2-CZ3 3.9Å; W132-W177 AromaticContact CE2-CH2 3.98Å; W132-W177 AromaticContact CE2-CZ3 3.81Å; W132-W177 HydrophobicContact CE3-CZ3 4.2Å; W132-W177 HydrophobicContact CG-CH2 4.09Å; W132-W177 HydrophobicContact CG-CZ3 4.39Å; W132-W177 HydrophobicContact CH2-CZ3 4.34Å; W132-W177 HydrophobicContact CZ2-CZ3 4.04Å; W132-W177 HydrophobicContact CZ3-CZ3 4.4Å; W132-W177 AromaticContact NE1-CH2 3.95Å; I135-W177 HydrophobicContact CD1-CE3 3.79Å; I135-W177 HydrophobicContact CD1-CZ3 3.52Å; L174-W177 PolarHBondContact O-N 2.97Å; D175-W177 VanDerWaalsContact C-N 3.33Å; D175-W177 PolarHBondContact O-N 3.29Å; W177-Q179 VanDerWaalsContact C-N 3.35Å; W177-Q179 PolarHBondContact O-N 2.97Å; W177-D180 PolarHBondContact O-N 3.28Å; W177-N181 HydrophobicContact CE3-CB 4.48Å; W177-N181 HydrophobicContact CH2-CB 4.09Å; W177-N181 HydrophobicContact CZ2-CB 4.25Å; W177-N181 HydrophobicContact CZ3-CB 4.23Å; W177-N181 PolarHBondContact NE1-ND2 3Å; W177-N181 WeakPolarHBondContact O-CB 3.32Å; W177-N181 PolarHBondContact O-N 3.45Å; W177-N181 PolarHBondContact O-ND2 2.96Å
178I96.4Very high95.2Very high1 Ų147.4 Ų47.41%0.00528%0.277CS..Hα-helixtrans-59.8-47.4177.3-73166.8000110W132 I135 L170 L174 D175 S176 N181 G182 G183 W184W132-I178 HydrophobicContact CH2-CB 4.48Å; W132-I178 HydrophobicContact CH2-CG1 4.15Å; W132-I178 HydrophobicContact CH2-CG2 4.06Å; W132-I178 HydrophobicContact CZ3-CG1 4.31Å; I135-I178 HydrophobicContact CD1-CD1 4.38Å; I135-I178 HydrophobicContact CD1-CG1 4.03Å; L170-I178 HydrophobicContact CD2-CD1 3.94Å; L174-I178 HydrophobicContact CB-CD1 3.99Å; L174-I178 WeakPolarHBondContact O-CG1 3.44Å; L174-I178 PolarHBondContact O-N 3.39Å; D175-I178 PolarHBondContact O-N 3.33Å; D175-I178 VanDerWaalsContact O-N 3.12Å; S176-I178 PolarHBondContact O-N 3.35Å; I178-N181 PolarHBondContact O-N 2.82Å; I178-G182 PolarHBondContact O-N 3.05Å; I178-G183 VanDerWaalsContact O-CA 3.29Å; I178-G183 WeakPolarHBondContact O-CA 3.26Å; I178-G183 PolarHBondContact O-N 3.21Å; I178-W184 HydrophobicContact CD1-CZ2 4.07Å
179Q95.8Very high95Very high107 Ų10748.5 Ų48.550%0.528%0.282SS..Hα-helixtrans-64.3-45.5178.8-60.5-53.3-37.300112D175 S176 W177 N181 G182D175-Q179 WeakPolarHBondContact O-CG 3.41Å; D175-Q179 PolarHBondContact O-N 2.96Å; S176-Q179 PolarHBondContact O-N 3.45Å; W177-Q179 VanDerWaalsContact C-N 3.35Å; W177-Q179 PolarHBondContact O-N 2.97Å; Q179-N181 PolarHBondContact O-N 3.16Å; Q179-G182 PolarHBondContact O-N 3.06Å
180D97.1Very high94.6Very high136 Ų13649 Ų4973%0.72729%0.286SS*.Hα-helixtrans-63.9-21.7179.8-71.6-15.5000112.8S176 W177S176-D180 WeakPolarHBondContact O-CB 3.13Å; S176-D180 PolarHBondContact O-N 3.2Å; W177-D180 PolarHBondContact O-N 3.28Å
181N95.6Very high94Very high71 Ų7149 Ų4938%0.3829%0.287SS..THydrogen-bonded Turntrans-10221.6177.5-71-95.2000113.1W177 I178 Q179 A186W177-N181 HydrophobicContact CE3-CB 4.48Å; W177-N181 HydrophobicContact CH2-CB 4.09Å; W177-N181 HydrophobicContact CZ2-CB 4.25Å; W177-N181 HydrophobicContact CZ3-CB 4.23Å; W177-N181 PolarHBondContact NE1-ND2 3Å; W177-N181 WeakPolarHBondContact O-CB 3.32Å; W177-N181 PolarHBondContact O-N 3.45Å; W177-N181 PolarHBondContact O-ND2 2.96Å; I178-N181 PolarHBondContact O-N 2.82Å; Q179-N181 PolarHBondContact O-N 3.16Å; N181-A186 VanDerWaalsContact O-CB 3.32Å; N181-A186 WeakPolarHBondContact O-CB 3.29Å
182G94.6Very high93.6Very high49 Ų4951.3 Ų51.351%0.50530%0.299SS..THydrogen-bonded Turntrans8614.317200000115I178 Q179 A186I178-G182 PolarHBondContact O-N 3.05Å; Q179-G182 PolarHBondContact O-N 3.06Å; G182-A186 WeakPolarHBondContact O-CB 3.17Å; G182-A186 PolarHBondContact O-N 3.15Å
183G95.4Very high93Very high10 Ų1056.5 Ų56.510%0.10331%0.306CS..Hα-helixtrans69-170.3178.700000113.5W132 I178 D185 A186 F187W132-G183 VanDerWaalsContact CZ2-O 3.32Å; W132-G183 WeakPolarHBondContact CZ2-O 3.33Å; I178-G183 VanDerWaalsContact O-CA 3.29Å; I178-G183 WeakPolarHBondContact O-CA 3.26Å; I178-G183 PolarHBondContact O-N 3.21Å; G183-D185 PolarHBondContact O-N 3.44Å; G183-A186 PolarHBondContact O-N 3.31Å; G183-F187 PolarHBondContact O-N 3.33Å
184W95.2Very high91.7Very high3 Ų356.2 Ų56.21%0.01130%0.298CS..Hα-helixtrans-70-21.2178.4-65.396.2000113.4Y5 N6 I9 I81 L85 W132 I135 F139 L170 I178 A186 F187 V188Y5-W184 AromaticContact CE1-CD1 3.36Å; Y5-W184 HydrophobicContact CE1-CG 4.4Å; Y5-W184 AromaticContact CE1-NE1 3.82Å; Y5-W184 AromaticContact CZ-CD1 3.49Å; Y5-W184 VanDerWaalsContact CZ-CD1 3.49Å; Y5-W184 VanDerWaalsContact OH-CB 3.25Å; Y5-W184 WeakPolarHBondContact OH-CB 3.32Å; N6-W184 PolarHBondContact OD1-NE1 3.16Å; I9-W184 HydrophobicContact CD1-CD2 4.04Å; I9-W184 HydrophobicContact CD1-CG 4.08Å; I9-W184 HydrophobicContact CD1-CZ2 4.34Å; I81-W184 HydrophobicContact CD1-CB 3.6Å; I81-W184 HydrophobicContact CD1-CG 4.39Å; I81-W184 HydrophobicContact CG1-CB 3.96Å; I81-W184 HydrophobicContact CG2-CB 4.18Å; I81-W184 HydrophobicContact CG2-CD2 4.25Å; I81-W184 HydrophobicContact CG2-CE3 4.03Å; I81-W184 HydrophobicContact CG2-CG 4.36Å; L85-W184 HydrophobicContact CD1-CZ3 4.43Å; W132-W184 HydrophobicContact CE3-CZ3 4.39Å; W132-W184 HydrophobicContact CH2-CD2 4.42Å; W132-W184 HydrophobicContact CH2-CE3 4.26Å; W132-W184 HydrophobicContact CZ3-CD2 4.26Å; W132-W184 AromaticContact CZ3-CE3 3.76Å; W132-W184 HydrophobicContact CZ3-CE3 3.76Å; W132-W184 HydrophobicContact CZ3-CH2 4.22Å; W132-W184 AromaticContact CZ3-CZ3 3.73Å; W132-W184 HydrophobicContact CZ3-CZ3 3.73Å; I135-W184 HydrophobicContact CG2-CH2 3.76Å; I135-W184 HydrophobicContact CG2-CZ3 4.29Å; F139-W184 AromaticContact CE2-CH2 3.71Å; F139-W184 HydrophobicContact CE2-CH2 3.71Å; F139-W184 HydrophobicContact CE2-CZ2 4.37Å; F139-W184 HydrophobicContact CZ-CH2 4.06Å; F139-W184 HydrophobicContact CZ-CZ2 4.45Å; L170-W184 HydrophobicContact CD2-CZ2 4.07Å; I178-W184 HydrophobicContact CD1-CZ2 4.07Å; W184-A186 VanDerWaalsContact C-N 3.35Å; W184-F187 HydrophobicContact CE3-CB 4.39Å; W184-F187 AromaticContact CE3-CD1 3.79Å; W184-F187 HydrophobicContact CE3-CD1 3.79Å; W184-F187 HydrophobicContact CE3-CE1 4.4Å; W184-F187 HydrophobicContact CE3-CG 4.27Å; W184-F187 HydrophobicContact CZ3-CD1 4.14Å; W184-F187 HydrophobicContact CZ3-CE1 4.37Å; W184-F187 WeakPolarHBondContact O-CB 3.48Å; W184-F187 PolarHBondContact O-N 3.47Å; W184-V188 WeakPolarHBondContact O-CG2 3.35Å; W184-V188 PolarHBondContact O-N 3.02Å
185D93.6Very high90.2Very high123 Ų12360.4 Ų60.466%0.65832%0.316SS*.Hα-helixtrans-64.5-42.3174.3-65.1-23.5000110.7G183 F187 V188 E189G183-D185 PolarHBondContact O-N 3.44Å; D185-F187 VanDerWaalsContact C-N 3.31Å; D185-F187 PolarHBondContact O-N 3.04Å; D185-V188 PolarHBondContact O-N 2.99Å; D185-E189 PolarHBondContact O-N 3Å
186A92.6Very high88.5Confident20 Ų2066.6 Ų66.617%0.16534%0.344CS..Hα-helixtrans-64.2-36.9173.200000111.9N181 G182 G183 W184 E189 L190N181-A186 VanDerWaalsContact O-CB 3.32Å; N181-A186 WeakPolarHBondContact O-CB 3.29Å; G182-A186 WeakPolarHBondContact O-CB 3.17Å; G182-A186 PolarHBondContact O-N 3.15Å; G183-A186 PolarHBondContact O-N 3.31Å; W184-A186 VanDerWaalsContact C-N 3.35Å; A186-E189 PolarHBondContact O-N 3.35Å; A186-L190 VanDerWaalsContact O-CB 3.28Å; A186-L190 WeakPolarHBondContact O-CB 3.44Å; A186-L190 WeakPolarHBondContact O-CD1 3.38Å; A186-L190 WeakPolarHBondContact O-CG 3.11Å; A186-L190 PolarHBondContact O-N 3.19Å
187F92.6Very high86.6Confident4 Ų465.9 Ų65.92%0.01834%0.339CS..Hα-helixtrans-59.2-47.7173.1170.7-113000112.1V84 L85 W132 I136 G183 W184 D185 L190 Y191V84-F187 HydrophobicContact CB-CE1 4.32Å; V84-F187 HydrophobicContact CG1-CD1 4.1Å; V84-F187 HydrophobicContact CG1-CE1 3.51Å; V84-F187 HydrophobicContact CG1-CZ 3.8Å; L85-F187 HydrophobicContact CB-CE1 4.26Å; L85-F187 HydrophobicContact CD1-CE1 4.14Å; L85-F187 HydrophobicContact CD1-CZ 4.15Å; W132-F187 HydrophobicContact CB-CD2 3.92Å; W132-F187 HydrophobicContact CB-CE2 4.17Å; W132-F187 HydrophobicContact CD2-CB 3.86Å; W132-F187 AromaticContact CD2-CD2 3.59Å; W132-F187 HydrophobicContact CD2-CD2 3.59Å; W132-F187 HydrophobicContact CD2-CG 4.05Å; W132-F187 HydrophobicContact CE3-CB 3.91Å; W132-F187 AromaticContact CE3-CD2 3.63Å; W132-F187 HydrophobicContact CE3-CD2 3.63Å; W132-F187 HydrophobicContact CE3-CE2 4.37Å; W132-F187 AromaticContact CE3-CG 3.87Å; W132-F187 HydrophobicContact CE3-CG 3.87Å; W132-F187 AromaticContact CG-CD2 3.73Å; W132-F187 HydrophobicContact CG-CD2 3.73Å; W132-F187 HydrophobicContact CG-CE2 4.45Å; W132-F187 HydrophobicContact CH2-CB 3.8Å; W132-F187 HydrophobicContact CZ2-CB 3.74Å; W132-F187 HydrophobicContact CZ3-CB 3.88Å; W132-F187 HydrophobicContact CZ3-CD2 4.36Å; W132-F187 HydrophobicContact CZ3-CG 4.14Å; I136-F187 HydrophobicContact CD1-CE2 3.87Å; I136-F187 HydrophobicContact CD1-CZ 4.08Å; I136-F187 HydrophobicContact CG1-CE2 4.18Å; I136-F187 HydrophobicContact CG1-CZ 4.07Å; G183-F187 PolarHBondContact O-N 3.33Å; W184-F187 HydrophobicContact CE3-CB 4.39Å; W184-F187 AromaticContact CE3-CD1 3.79Å; W184-F187 HydrophobicContact CE3-CD1 3.79Å; W184-F187 HydrophobicContact CE3-CE1 4.4Å; W184-F187 HydrophobicContact CE3-CG 4.27Å; W184-F187 HydrophobicContact CZ3-CD1 4.14Å; W184-F187 HydrophobicContact CZ3-CE1 4.37Å; W184-F187 WeakPolarHBondContact O-CB 3.48Å; W184-F187 PolarHBondContact O-N 3.47Å; D185-F187 VanDerWaalsContact C-N 3.31Å; D185-F187 PolarHBondContact O-N 3.04Å; F187-L190 PolarHBondContact O-N 2.81Å; F187-Y191 WeakPolarHBondContact O-CB 3.32Å; F187-Y191 PolarHBondContact O-N 3.05Å
188V93.3Very high84.7Confident15 Ų1563.9 Ų63.99%0.09133%0.333CS..Hα-helixtrans-59.3-50.1176.6169.50000110.7D80 I81 V84 W184 D185 L190 Y191 D192D80-V188 HydrophobicContact CB-CG1 4.07Å; D80-V188 HydrophobicContact CB-CG2 4.4Å; I81-V188 HydrophobicContact CB-CG2 4.29Å; I81-V188 HydrophobicContact CG1-CG2 3.75Å; V84-V188 HydrophobicContact CB-CG2 4.32Å; V84-V188 HydrophobicContact CG2-CB 4.45Å; V84-V188 HydrophobicContact CG2-CG1 4.12Å; V84-V188 HydrophobicContact CG2-CG2 4.23Å; W184-V188 WeakPolarHBondContact O-CG2 3.35Å; W184-V188 PolarHBondContact O-N 3.02Å; D185-V188 PolarHBondContact O-N 2.99Å; V188-L190 VanDerWaalsContact C-N 3.34Å; V188-L190 PolarHBondContact O-N 2.68Å; V188-Y191 PolarHBondContact O-N 3.45Å; V188-D192 WeakPolarHBondContact O-CB 3.33Å; V188-D192 PolarHBondContact O-N 3.25Å
189E91.4Very high82.8Confident112 Ų11265.6 Ų65.652%0.52334%0.34SS..Hα-helixtrans-60.5-43.5-179.8-170.1-167.1148.300112.1D185 A186 R193D185-E189 PolarHBondContact O-N 3Å; A186-E189 PolarHBondContact O-N 3.35Å; E189-R193 VanDerWaalsContact O-CB 3.23Å; E189-R193 WeakPolarHBondContact O-CB 3.29Å; E189-R193 PolarHBondContact O-N 3.31Å; E189-R193 IonicContact OE1-CZ 3.87Å; E189-R193 IonicContact OE1-NH1 3.7Å; E189-R193 PolarHBondContact OE1-NH1 3.37Å; E189-R193 IonicContact OE1-NH2 3.89Å
190L87.5Confident81Confident44 Ų4464.8 Ų64.823%0.2335%0.346CS..Hα-helixtrans-60.6-46.6177.8-75.6169000111.1A186 F187 V188 Q194A186-L190 VanDerWaalsContact O-CB 3.28Å; A186-L190 WeakPolarHBondContact O-CB 3.44Å; A186-L190 WeakPolarHBondContact O-CD1 3.38Å; A186-L190 WeakPolarHBondContact O-CG 3.11Å; A186-L190 PolarHBondContact O-N 3.19Å; F187-L190 PolarHBondContact O-N 2.81Å; V188-L190 VanDerWaalsContact C-N 3.34Å; V188-L190 PolarHBondContact O-N 2.68Å; L190-Q194 WeakPolarHBondContact O-CB 3.41Å; L190-Q194 PolarHBondContact O-N 3.43Å
191Y84.3Confident79.1Confident2 Ų262.5 Ų62.51%0.00834%0.34CS..Hα-helixtrans-69.5-45.3-177.7-165.1-89.5000112.2V84 D87 A88 E91 F187 V188 R193 Q194 K195 V198 F199V84-Y191 HydrophobicContact CB-CD1 4.46Å; V84-Y191 VanDerWaalsContact CG1-CB 3.41Å; V84-Y191 HydrophobicContact CG1-CD1 3.63Å; V84-Y191 HydrophobicContact CG1-CD2 4.15Å; V84-Y191 HydrophobicContact CG1-CE1 4.38Å; V84-Y191 HydrophobicContact CG1-CG 3.47Å; V84-Y191 VanDerWaalsContact CG1-CG 3.47Å; V84-Y191 HydrophobicContact CG2-CD1 4.36Å; D87-Y191 HydrophobicContact CB-CE1 4.15Å; A88-Y191 VanDerWaalsContact CA-OH 3.27Å; A88-Y191 WeakPolarHBondContact CA-OH 3.32Å; A88-Y191 HydrophobicContact CB-CD2 4.14Å; A88-Y191 HydrophobicContact CB-CE2 3.42Å; A88-Y191 VanDerWaalsContact CB-CE2 3.42Å; A88-Y191 PolarHBondContact N-OH 3.18Å; E91-Y191 PolarHBondContact OE1-OH 3.41Å; F187-Y191 WeakPolarHBondContact O-CB 3.32Å; F187-Y191 PolarHBondContact O-N 3.05Å; V188-Y191 PolarHBondContact O-N 3.45Å; Y191-R193 VanDerWaalsContact C-N 3.3Å; Y191-R193 PolarHBondContact O-N 3.28Å; Y191-Q194 CarbonylContact O-C 3.53Å; Y191-Q194 PolarHBondContact O-N 3.46Å; Y191-K195 HydrophobicContact CE1-CD 4.11Å; Y191-K195 HydrophobicContact CE1-CG 3.98Å; Y191-K195 WeakPolarHBondContact O-CA 3.34Å; Y191-K195 PolarHBondContact O-N 3.21Å; Y191-V198 HydrophobicContact CD2-CG1 4.44Å; Y191-F199 HydrophobicContact CD2-CE2 4.42Å; Y191-F199 HydrophobicContact CE2-CD2 4.48Å; Y191-F199 AromaticContact CE2-CE2 3.38Å; Y191-F199 HydrophobicContact CE2-CE2 3.38Å; Y191-F199 AromaticContact CE2-CZ 3.53Å; Y191-F199 HydrophobicContact CE2-CZ 3.53Å; Y191-F199 AromaticContact CZ-CE2 3.54Å; Y191-F199 AromaticContact CZ-CZ 3.7Å; Y191-F199 VanDerWaalsContact OH-CE2 3.25Å; Y191-F199 WeakPolarHBondContact OH-CE2 3.45Å; Y191-F199 WeakPolarHBondContact OH-CZ 3.35Å
192D86.7Confident77.4Confident91 Ų9162.2 Ų62.249%0.48733%0.334SS..Hα-helixtrans-64.2-36.3179.4-80.2-15.8000111.6R83 V188R83-D192 IonicContact NH2-OD2 3.15Å; R83-D192 PolarHBondContact NH2-OD2 3.17Å; V188-D192 WeakPolarHBondContact O-CB 3.33Å; V188-D192 PolarHBondContact O-N 3.25Å
193R81.4Confident75.8Confident148 Ų14861.5 Ų61.556%0.55832%0.316SS*.Hα-helixtrans-76-30.5178.1-174169.461.3-138.9-3.6113.4E189 Y191E189-R193 VanDerWaalsContact O-CB 3.23Å; E189-R193 WeakPolarHBondContact O-CB 3.29Å; E189-R193 PolarHBondContact O-N 3.31Å; E189-R193 IonicContact OE1-CZ 3.87Å; E189-R193 IonicContact OE1-NH1 3.7Å; E189-R193 PolarHBondContact OE1-NH1 3.37Å; E189-R193 IonicContact OE1-NH2 3.89Å; Y191-R193 VanDerWaalsContact C-N 3.3Å; Y191-R193 PolarHBondContact O-N 3.28Å
194Q68.8Low74.2Confident70 Ų7064.7 Ų64.733%0.32734%0.335SS..  trans-13034.7-167.6-68.4-168.811.100112.8L190 Y191 E196 S197 V198L190-Q194 WeakPolarHBondContact O-CB 3.41Å; L190-Q194 PolarHBondContact O-N 3.43Å; Y191-Q194 CarbonylContact O-C 3.53Å; Y191-Q194 PolarHBondContact O-N 3.46Å; Q194-E196 CarbonylContact O-C 3.56Å; Q194-E196 PolarHBondContact O-N 3.16Å; Q194-S197 PolarHBondContact O-N 2.82Å; Q194-S197 PolarHBondContact OE1-OG 3.04Å; Q194-V198 HydrophobicContact CB-CG2 3.51Å; Q194-V198 WeakPolarHBondContact O-CG2 3.44Å; Q194-V198 PolarHBondContact O-N 3.22Å
195K64.4Low72.6Confident89 Ų8966.3 Ų66.339%0.38735%0.347SS..THydrogen-bonded Turntrans-50.7-21.3-176.6-168.2167.4-179.21620114.9D87 E91 Y191 F199D87-K195 IonicContact OD2-NZ 2.78Å; D87-K195 PolarHBondContact OD2-NZ 3.47Å; D87-K195 VanDerWaalsContact OD2-NZ 3.1Å; E91-K195 WeakPolarHBondContact OE1-CE 3.25Å; E91-K195 IonicContact OE1-NZ 2.63Å; Y191-K195 HydrophobicContact CE1-CD 4.11Å; Y191-K195 HydrophobicContact CE1-CG 3.98Å; Y191-K195 WeakPolarHBondContact O-CA 3.34Å; Y191-K195 PolarHBondContact O-N 3.21Å; K195-F199 WeakPolarHBondContact O-CD2 3.43Å; K195-F199 WeakPolarHBondContact O-CE2 3.48Å
196E58.5Low70.9Confident179 Ų17960.7 Ų60.784%0.83632%0.317SS*.THydrogen-bonded Turntrans-100.6-27.1171.2-61.5-171.9172.700114.1Q194Q194-E196 CarbonylContact O-C 3.56Å; Q194-E196 PolarHBondContact O-N 3.16Å
197S56.4Low69.5Low56 Ų5665.5 Ų65.539%0.39233%0.334SS..THydrogen-bonded Turntrans-85.4-36.8-175.1154.80000113.3Q194 F199 S200 C201Q194-S197 PolarHBondContact O-N 2.82Å; Q194-S197 PolarHBondContact OE1-OG 3.04Å; S197-F199 PolarHBondContact O-N 2.77Å; S197-S200 PolarHBondContact O-N 3.17Å; S197-C201 PolarHBondContact O-N 3.04Å
198V56.6Low68Low12 Ų1269 Ų697%0.07336%0.355CS..Hα-helixtrans-57.8-41.9174.2177.40000109.6Y191 Q194 S200 C201 Y202Y191-V198 HydrophobicContact CD2-CG1 4.44Å; Q194-V198 HydrophobicContact CB-CG2 3.51Å; Q194-V198 WeakPolarHBondContact O-CG2 3.44Å; Q194-V198 PolarHBondContact O-N 3.22Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.32Å; V198-C201 PolarHBondContact O-N 3.41Å; V198-Y202 HydrophobicContact CB-CD2 4.25Å; V198-Y202 HydrophobicContact CB-CE2 4.49Å; V198-Y202 HydrophobicContact CG1-CD2 3.5Å; V198-Y202 HydrophobicContact CG1-CE2 3.88Å; V198-Y202 VanDerWaalsContact O-CD2 3.29Å; V198-Y202 WeakPolarHBondContact O-CD2 3.42Å; V198-Y202 PolarHBondContact O-N 3.12Å
199F57.8Low66.2Low36 Ų3669.1 Ų69.116%0.15836%0.356CS..Hα-helixtrans-68.4-22.8175.2-71.6-86.1000114.3E91 Y191 K195 S197 W203E91-F199 HydrophobicContact CB-CE1 3.49Å; E91-F199 VanDerWaalsContact CB-CE1 3.49Å; E91-F199 HydrophobicContact CB-CZ 3.59Å; E91-F199 VanDerWaalsContact CD-CZ 3.42Å; E91-F199 HydrophobicContact CG-CE1 4.41Å; E91-F199 HydrophobicContact CG-CZ 4.08Å; E91-F199 WeakPolarHBondContact OE2-CE1 3.44Å; E91-F199 WeakPolarHBondContact OE2-CE2 3.17Å; E91-F199 WeakPolarHBondContact OE2-CZ 3.44Å; Y191-F199 HydrophobicContact CD2-CE2 4.42Å; Y191-F199 HydrophobicContact CE2-CD2 4.48Å; Y191-F199 AromaticContact CE2-CE2 3.38Å; Y191-F199 HydrophobicContact CE2-CE2 3.38Å; Y191-F199 AromaticContact CE2-CZ 3.53Å; Y191-F199 HydrophobicContact CE2-CZ 3.53Å; Y191-F199 AromaticContact CZ-CE2 3.54Å; Y191-F199 AromaticContact CZ-CZ 3.7Å; Y191-F199 VanDerWaalsContact OH-CE2 3.25Å; Y191-F199 WeakPolarHBondContact OH-CE2 3.45Å; Y191-F199 WeakPolarHBondContact OH-CZ 3.35Å; K195-F199 WeakPolarHBondContact O-CD2 3.43Å; K195-F199 WeakPolarHBondContact O-CE2 3.48Å; S197-F199 PolarHBondContact O-N 2.77Å; F199-W203 HydrophobicContact CD1-CE3 4.18Å; F199-W203 HydrophobicContact CD1-CZ3 4.19Å; F199-W203 HydrophobicContact CE1-CZ3 4.5Å; F199-W203 WeakPolarHBondContact O-CB 3.47Å
200S57.5Low64.7Low91 Ų9164 Ų6464%0.63633%0.333SS*.Hα-helixtrans-82.7-31.6173.2-172.70000112S197 V198S197-S200 PolarHBondContact O-N 3.17Å; V198-S200 VanDerWaalsContact C-N 3.29Å; V198-S200 PolarHBondContact O-N 3.32Å
201C56.3Low63.2Low88 Ų8863.7 Ų63.760%0.59534%0.339SS*.Hα-helixtrans-90.4-40.4-169-158.10000113.2S197 V198S197-C201 PolarHBondContact O-N 3.04Å; V198-C201 PolarHBondContact O-N 3.41Å
202Y61.1Low61.7Low65 Ų6566.8 Ų66.826%0.25536%0.356SS..SBendtrans-91.3-13.9-176.4-64.8-78.8000113.6N131 V198 S205 I206N131-Y202 HydrophobicContact CB-CD1 4Å; N131-Y202 HydrophobicContact CB-CE1 4.03Å; V198-Y202 HydrophobicContact CB-CD2 4.25Å; V198-Y202 HydrophobicContact CB-CE2 4.49Å; V198-Y202 HydrophobicContact CG1-CD2 3.5Å; V198-Y202 HydrophobicContact CG1-CE2 3.88Å; V198-Y202 VanDerWaalsContact O-CD2 3.29Å; V198-Y202 WeakPolarHBondContact O-CD2 3.42Å; V198-Y202 PolarHBondContact O-N 3.12Å; Y202-S205 WeakPolarHBondContact O-CB 3.28Å; Y202-S205 PolarHBondContact O-N 3.47Å; Y202-I206 PolarHBondContact O-N 2.84Å
203W61.3Low60Low34 Ų3463.8 Ų63.813%0.12934%0.344CS..Hα-helixtrans-73.2-34.8-172.9-164.1-104.2000116.4L92 L95 Y96 F199 S205 I206 K207L92-W203 HydrophobicContact CB-CH2 4.43Å; L92-W203 HydrophobicContact CB-CZ3 4.23Å; L92-W203 HydrophobicContact CD1-CE3 4.23Å; L92-W203 HydrophobicContact CD1-CH2 3.37Å; L92-W203 HydrophobicContact CD1-CZ2 4.43Å; L92-W203 HydrophobicContact CD1-CZ3 3.26Å; L92-W203 HydrophobicContact CG-CH2 4.45Å; L92-W203 HydrophobicContact CG-CZ3 4.33Å; L95-W203 HydrophobicContact CB-CH2 3.47Å; L95-W203 VanDerWaalsContact CB-CH2 3.47Å; L95-W203 HydrophobicContact CB-CZ2 3.18Å; L95-W203 HydrophobicContact CD1-CH2 3.28Å; L95-W203 HydrophobicContact CD1-CZ2 3.24Å; L95-W203 HydrophobicContact CD1-CZ3 3.97Å; L95-W203 HydrophobicContact CG-CH2 3.95Å; L95-W203 HydrophobicContact CG-CZ2 3.79Å; Y96-W203 AromaticContact CD2-CH2 3.46Å; Y96-W203 HydrophobicContact CD2-CH2 3.46Å; Y96-W203 VanDerWaalsContact CD2-CH2 3.46Å; Y96-W203 AromaticContact CD2-CZ2 3.41Å; Y96-W203 HydrophobicContact CD2-CZ2 3.41Å; Y96-W203 VanDerWaalsContact CD2-CZ2 3.41Å; Y96-W203 HydrophobicContact CD2-CZ3 4.38Å; Y96-W203 HydrophobicContact CE1-CZ2 4.19Å; Y96-W203 AromaticContact CE2-CD2 3.95Å; Y96-W203 HydrophobicContact CE2-CD2 3.95Å; Y96-W203 AromaticContact CE2-CE2 3.32Å; Y96-W203 HydrophobicContact CE2-CE3 4.17Å; Y96-W203 AromaticContact CE2-CH2 3.12Å; Y96-W203 HydrophobicContact CE2-CH2 3.12Å; Y96-W203 AromaticContact CE2-CZ2 2.81Å; Y96-W203 HydrophobicContact CE2-CZ2 2.81Å; Y96-W203 AromaticContact CE2-CZ3 3.84Å; Y96-W203 HydrophobicContact CE2-CZ3 3.84Å; Y96-W203 HydrophobicContact CG-CZ2 4.3Å; Y96-W203 AromaticContact CZ-CE2 3.37Å; Y96-W203 AromaticContact CZ-CZ2 3.25Å; Y96-W203 AromaticContact CZ-NE1 3.57Å; Y96-W203 VanDerWaalsContact OH-CD1 3.3Å; Y96-W203 WeakPolarHBondContact OH-CZ2 3.21Å; Y96-W203 PolarHBondContact OH-NE1 3.3Å; F199-W203 HydrophobicContact CD1-CE3 4.18Å; F199-W203 HydrophobicContact CD1-CZ3 4.19Å; F199-W203 HydrophobicContact CE1-CZ3 4.5Å; F199-W203 WeakPolarHBondContact O-CB 3.47Å; W203-S205 PolarHBondContact O-N 3.49Å; W203-I206 HydrophobicContact CE3-CD1 3.96Å; W203-I206 HydrophobicContact CZ3-CD1 4.28Å; W203-I206 WeakPolarHBondContact O-CB 3.43Å; W203-I206 PolarHBondContact O-N 3.31Å; W203-I206 VanDerWaalsContact O-N 3.11Å; W203-K207 PolarHBondContact O-N 3.41Å; W203-K207 VanDerWaalsContact O-N 3.11Å
204P61.2Low58.4Low76 Ų7658.6 Ų58.649%0.49433%0.332SS..Hα-helixtrans-56.8-39.2170.2-24.935.4000112.2I206 K207 T208P204-I206 VanDerWaalsContact C-N 3.26Å; P204-I206 PolarHBondContact O-N 2.88Å; P204-K207 PolarHBondContact O-N 3.07Å; P204-T208 PolarHBondContact O-N 3.32Å; P204-T208 PolarHBondContact O-OG1 3.12Å
205S60.8Low57.5Low38 Ų3860.9 Ų60.927%0.26635%0.346SS..Hα-helixtrans-65.5-29.8177.7-53.80000112.8Y202 W203 V209Y202-S205 WeakPolarHBondContact O-CB 3.28Å; Y202-S205 PolarHBondContact O-N 3.47Å; W203-S205 PolarHBondContact O-N 3.49Å; S205-V209 WeakPolarHBondContact O-CG2 3.4Å; S205-V209 PolarHBondContact O-N 2.96Å
206I59.7Low56.5Low4 Ų458.2 Ų58.22%0.02134%0.344CS..Hα-helixtrans-73.7-43.8176-65.3176.8000110.2L92 Y96 Y202 W203 P204 T208 V209 F210L92-I206 HydrophobicContact CD1-CD1 3.95Å; L92-I206 HydrophobicContact CD1-CG2 3.81Å; Y96-I206 HydrophobicContact CD2-CG2 4.12Å; Y96-I206 HydrophobicContact CE2-CB 4.3Å; Y96-I206 HydrophobicContact CE2-CG2 3.44Å; Y96-I206 VanDerWaalsContact CE2-CG2 3.44Å; Y202-I206 PolarHBondContact O-N 2.84Å; W203-I206 HydrophobicContact CE3-CD1 3.96Å; W203-I206 HydrophobicContact CZ3-CD1 4.28Å; W203-I206 WeakPolarHBondContact O-CB 3.43Å; W203-I206 PolarHBondContact O-N 3.31Å; W203-I206 VanDerWaalsContact O-N 3.11Å; P204-I206 VanDerWaalsContact C-N 3.26Å; P204-I206 PolarHBondContact O-N 2.88Å; I206-T208 PolarHBondContact O-N 3.49Å; I206-V209 WeakPolarHBondContact O-CB 3.32Å; I206-V209 PolarHBondContact O-N 3.47Å; I206-F210 HydrophobicContact CG2-CD2 3.48Å; I206-F210 VanDerWaalsContact CG2-CD2 3.48Å; I206-F210 HydrophobicContact CG2-CE2 3.49Å; I206-F210 VanDerWaalsContact CG2-CE2 3.49Å; I206-F210 WeakPolarHBondContact O-CD2 3.36Å; I206-F210 PolarHBondContact O-N 3.24Å
207K61.5Low55.9Low122 Ų12254.2 Ų54.253%0.5334%0.341SS..Hα-helixtrans-54.5-40.8175.4-68.1-167.8175.9-1760112.7Y96 W203 P204 V209 G211Y96-K207 HydrophobicContact CE1-CG 3.93Å; Y96-K207 WeakPolarHBondContact OH-CE 3.39Å; Y96-K207 WeakPolarHBondContact OH-CG 3.29Å; W203-K207 PolarHBondContact O-N 3.41Å; W203-K207 VanDerWaalsContact O-N 3.11Å; P204-K207 PolarHBondContact O-N 3.07Å; K207-V209 VanDerWaalsContact C-N 3.32Å; K207-V209 PolarHBondContact O-N 3.08Å; K207-G211 PolarHBondContact O-N 3.11Å
208T61.1Low55.3Low76 Ų7655.8 Ų55.847%0.46636%0.358SS..Hα-helixtrans-62.5-41177.6-53.70000111.6P204 I206 L212P204-T208 PolarHBondContact O-N 3.32Å; P204-T208 PolarHBondContact O-OG1 3.12Å; I206-T208 PolarHBondContact O-N 3.49Å; T208-L212 HydrophobicContact CG2-CD1 4.13Å; T208-L212 WeakPolarHBondContact O-CG 3.39Å; T208-L212 PolarHBondContact O-N 2.96Å
209V57.2Low54.4Low18 Ų1859.2 Ų59.211%0.10938%0.382CS..Hα-helixtrans-66.7-51.4179.8170.60000111.3L125 R134 S205 I206 K207 G211 L212 A213L125-V209 HydrophobicContact CB-CG1 4.19Å; L125-V209 HydrophobicContact CD1-CB 4.09Å; L125-V209 HydrophobicContact CD1-CG1 3.33Å; L125-V209 HydrophobicContact CD1-CG2 3.73Å; L125-V209 HydrophobicContact CG-CG1 4.33Å; R134-V209 HydrophobicContact CG-CG2 4.49Å; S205-V209 WeakPolarHBondContact O-CG2 3.4Å; S205-V209 PolarHBondContact O-N 2.96Å; I206-V209 WeakPolarHBondContact O-CB 3.32Å; I206-V209 PolarHBondContact O-N 3.47Å; K207-V209 VanDerWaalsContact C-N 3.32Å; K207-V209 PolarHBondContact O-N 3.08Å; V209-G211 VanDerWaalsContact C-N 3.28Å; V209-G211 PolarHBondContact O-N 2.97Å; V209-L212 PolarHBondContact O-N 3.48Å; V209-L212 VanDerWaalsContact O-N 3.14Å; V209-A213 PolarHBondContact O-N 3.42Å
210F58.7Low53.5Low6 Ų663.3 Ų63.33%0.02641%0.41CS..Hα-helixtrans-64.1-36.4-179.9-77.1-86.1000111.4D99 F100 M103 A137 I206 L212 A213 A214D99-F210 HydrophobicContact CB-CB 4.32Å; D99-F210 HydrophobicContact CB-CD1 3.86Å; D99-F210 HydrophobicContact CB-CG 4.36Å; F100-F210 AromaticContact CD1-CE1 3.67Å; F100-F210 HydrophobicContact CD1-CE1 3.67Å; F100-F210 AromaticContact CD1-CZ 4Å; F100-F210 HydrophobicContact CD1-CZ 4Å; F100-F210 HydrophobicContact CD2-CE1 4.24Å; F100-F210 HydrophobicContact CD2-CZ 4.48Å; F100-F210 AromaticContact CE1-CE1 3.4Å; F100-F210 HydrophobicContact CE1-CE1 3.4Å; F100-F210 VanDerWaalsContact CE1-CE1 3.4Å; F100-F210 HydrophobicContact CE1-CE2 4.44Å; F100-F210 AromaticContact CE1-CZ 3.23Å; F100-F210 HydrophobicContact CE1-CZ 3.23Å; F100-F210 HydrophobicContact CE2-CE1 4.01Å; F100-F210 HydrophobicContact CE2-CE2 4.49Å; F100-F210 AromaticContact CE2-CZ 3.8Å; F100-F210 HydrophobicContact CE2-CZ 3.8Å; F100-F210 HydrophobicContact CG-CE1 4.08Å; F100-F210 AromaticContact CZ-CE1 3.59Å; F100-F210 HydrophobicContact CZ-CE1 3.59Å; F100-F210 AromaticContact CZ-CE2 3.98Å; F100-F210 HydrophobicContact CZ-CE2 3.98Å; F100-F210 AromaticContact CZ-CZ 3.1Å; F100-F210 HydrophobicContact CZ-CZ 3.1Å; M103-F210 HydrophobicContact CE-CD1 3.12Å; M103-F210 HydrophobicContact CE-CE1 3.22Å; M103-F210 HydrophobicContact CE-CG 4.08Å; M103-F210 HydrophobicContact CE-CZ 4.24Å; M103-F210 HydrophobicContact SD-CE1 4.22Å; A137-F210 HydrophobicContact CB-CE2 4.1Å; A137-F210 HydrophobicContact CB-CZ 4.45Å; I206-F210 HydrophobicContact CG2-CD2 3.48Å; I206-F210 VanDerWaalsContact CG2-CD2 3.48Å; I206-F210 HydrophobicContact CG2-CE2 3.49Å; I206-F210 VanDerWaalsContact CG2-CE2 3.49Å; I206-F210 WeakPolarHBondContact O-CD2 3.36Å; I206-F210 PolarHBondContact O-N 3.24Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.78Å; F210-A213 PolarHBondContact O-N 3.28Å; F210-A214 WeakPolarHBondContact O-CB 3.47Å; F210-A214 PolarHBondContact O-N 3.47Å
211G55.9Low53Low36 Ų3665 Ų6537%0.37142%0.416SS..Hα-helixtrans-64.8-31.4173.200000114.4K207 V209 L215K207-G211 PolarHBondContact O-N 3.11Å; V209-G211 VanDerWaalsContact C-N 3.28Å; V209-G211 PolarHBondContact O-N 2.97Å; G211-L215 WeakPolarHBondContact O-CD1 3.45Å; G211-L215 VanDerWaalsContact O-CG 3.29Å; G211-L215 WeakPolarHBondContact O-CG 3.27Å
212L53.3Low52.3Low68 Ų6867.5 Ų67.536%0.35642%0.423SS..Hα-helixtrans-77.5-39.5175.2-72.4169.4000112.1T208 V209 F210 L215T208-L212 HydrophobicContact CG2-CD1 4.13Å; T208-L212 WeakPolarHBondContact O-CG 3.39Å; T208-L212 PolarHBondContact O-N 2.96Å; V209-L212 PolarHBondContact O-N 3.48Å; V209-L212 VanDerWaalsContact O-N 3.14Å; F210-L212 VanDerWaalsContact C-N 3.34Å; F210-L212 PolarHBondContact O-N 2.78Å; L212-L215 PolarHBondContact O-N 3.24Å
213A50.4Low51.3Low28 Ų2867.1 Ų67.123%0.23144%0.438CS..Hα-helixtrans-66.8-38.8177.500000112.6M103 Q106 V209 F210 L215 G216M103-A213 HydrophobicContact CE-CB 3.51Å; M103-A213 HydrophobicContact SD-CB 4.24Å; Q106-A213 PolarHBondContact OE1-O 3.3Å; V209-A213 PolarHBondContact O-N 3.42Å; F210-A213 PolarHBondContact O-N 3.28Å; A213-L215 VanDerWaalsContact C-N 3.29Å; A213-L215 PolarHBondContact O-N 3.24Å; A213-G216 PolarHBondContact O-N 3.39Å
214A48Very low50.2Low38 Ų3869.4 Ų69.431%0.31446%0.464SS..Hα-helixtrans-69.9-21.2176.800000113.9F210 G216F210-A214 WeakPolarHBondContact O-CB 3.47Å; F210-A214 PolarHBondContact O-N 3.47Å; A214-G216 VanDerWaalsContact C-N 3.27Å
215L50.3Low49Very low119 Ų11975.2 Ų75.262%0.62348%0.478SS*.THydrogen-bonded Turntrans-87.56.2175.5-69.2174.7000113.8G211 L212 A213G211-L215 WeakPolarHBondContact O-CD1 3.45Å; G211-L215 VanDerWaalsContact O-CG 3.29Å; G211-L215 WeakPolarHBondContact O-CG 3.27Å; L212-L215 PolarHBondContact O-N 3.24Å; A213-L215 VanDerWaalsContact C-N 3.29Å; A213-L215 PolarHBondContact O-N 3.24Å
216G43.7Very low47.7Very low33 Ų3382.3 Ų82.334%0.3451%0.511SS..  trans98.7135.715300000114.8A213 A214 A218 S219A213-G216 PolarHBondContact O-N 3.39Å; A214-G216 VanDerWaalsContact C-N 3.27Å; G216-A218 PolarHBondContact O-N 2.9Å; G216-S219 PolarHBondContact O-N 3.41Å
217A45.2Very low46.5Very low94 Ų9485.7 Ų85.778%0.77754%0.54SS*.THydrogen-bonded Turntrans-60.823.8157.300000113.5
218A43.9Very low45.3Very low90 Ų9088.8 Ų88.874%0.74456%0.557SS**THydrogen-bonded Turntrans-15226.3-179.500000114.9G216G216-A218 PolarHBondContact O-N 2.9Å
219S36.7Very low43.9Very low84 Ų8498.6 Ų98.659%0.58759%0.593SS**SBendtrans-167.7112.1161.229.20000116.4G216G216-S219 PolarHBondContact O-N 3.41Å
220V40.8Very low43.2Very low122 Ų122102.6 Ų102.674%0.73962%0.617SS**  trans70.1103.1135.9-169.90000117.8I222V220-I222 PolarHBondContact O-N 3.29Å
221T46.7Very low42.4Very low126 Ų126107.7 Ų107.777%0.77365%0.648SS**  trans9.792.9131.1-38.50000116G223T221-G223 VanDerWaalsContact C-N 3.3Å; T221-G223 PolarHBondContact O-N 2.87Å
222I40.5Very low41.7Very low141 Ų141111.7 Ų111.772%0.72366%0.663SS**  trans-95.776.3150.8-57179.7000107.2V220V220-I222 PolarHBondContact O-N 3.29Å
223G40.1Very low41Very low56 Ų56114.2 Ų114.258%0.57768%0.681SS**  trans-71.6141.4143.900000108.1T221T221-G223 VanDerWaalsContact C-N 3.3Å; T221-G223 PolarHBondContact O-N 2.87Å
224A37.7Very low40.4Very low82 Ų82119.6 Ų119.668%0.67871%0.71SS**  trans79.493.617800000116.1
225Y37.1Very low39.9Very low199 Ų199125.1 Ų125.178%0.7874%0.736SS**  -176.669.7119.4-119.6-91.4000111.9
226L33Very low39.2Very low186 Ų186125.5 Ų125.597%0.97474%0.744SS**  trans-139.350.6155.9-74.6-179.3000110.1
227A34.8Very low38.8Very low76 Ų76132.6 Ų132.663%0.62878%0.775SS**  trans-117.3129.5152.600000106.7
228Q36.2Very low38.3Very low186 Ų186135.8 Ų135.887%0.86978%0.775SS**  trans88.6109.2-174.8-52.6176.1-3.500112.2
229K32Very low37.8Very low282 Ų282140 Ų140100%1.22678%0.778SS**  cis-153.8047.3-164.4178-173.2176.30112.1

Retrieved 229 of 229 residues in 215.7 ms (Link to these results)

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