G4M1T7_SCHMA Loading...

26S proteasome non-ATPase regulatory subunit 8

AlphaFold DB , UniProt , Accession G4M1T7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 265 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M47.6Very low63.7Low189 Ų18992.8 Ų92.893%0.93145%0.452SS*.  0-59.10-73.1-165.9-95.100111.5Q3 T4 T5M1-Q3 PolarHBondContact O-N 3.39Å; M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.38Å; M1-T4 PolarHBondContact O-N 3.25Å; M1-T4 PolarHBondContact O-OG1 3.11Å; M1-T5 WeakPolarHBondContact O-CG2 3.26Å; M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.1Å
2I51.1Low63.9Low121 Ų12186.5 Ų86.562%0.62142%0.422SS*.Hα-helixtrans-62.8-45.3179.9-56.6169000112.5T4 T5 E6I2-T4 VanDerWaalsContact C-N 3.34Å; I2-T4 PolarHBondContact O-N 3.1Å; I2-T5 PolarHBondContact O-N 3.39Å; I2-T5 VanDerWaalsContact O-N 3.08Å; I2-T5 PolarHBondContact O-OG1 3.43Å; I2-E6 PolarHBondContact O-N 3.33Å; I2-E6 VanDerWaalsContact O-N 3.08Å
3Q54Low64.5Low155 Ų15588.8 Ų88.872%0.72443%0.431SS*.Hα-helixtrans-60.6-40.5177.3-71.5175.7-1300113M1 T5 E6 D7M1-Q3 PolarHBondContact O-N 3.39Å; Q3-T5 VanDerWaalsContact C-N 3.32Å; Q3-T5 PolarHBondContact O-N 3.08Å; Q3-E6 PolarHBondContact O-N 2.99Å; Q3-D7 PolarHBondContact O-N 2.92Å
4T64.8Low65.1Low67 Ų6789.4 Ų89.441%0.41144%0.437SS..Hα-helixtrans-64.2-3517536.80000112.1M1 I2 L8M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.38Å; M1-T4 PolarHBondContact O-N 3.25Å; M1-T4 PolarHBondContact O-OG1 3.11Å; I2-T4 VanDerWaalsContact C-N 3.34Å; I2-T4 PolarHBondContact O-N 3.1Å; T4-L8 WeakPolarHBondContact O-CB 3.4Å; T4-L8 WeakPolarHBondContact O-CG 3.46Å; T4-L8 PolarHBondContact O-N 2.91Å
5T63.2Low65.2Low10 Ų1083.5 Ų83.56%0.06141%0.409CS..Hα-helixtrans-67.5-39.4174.263.50000112.9M1 I2 Q3 L8 C9 E57M1-T5 WeakPolarHBondContact O-CG2 3.26Å; M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.1Å; I2-T5 PolarHBondContact O-N 3.39Å; I2-T5 VanDerWaalsContact O-N 3.08Å; I2-T5 PolarHBondContact O-OG1 3.43Å; Q3-T5 VanDerWaalsContact C-N 3.32Å; Q3-T5 PolarHBondContact O-N 3.08Å; T5-L8 PolarHBondContact O-N 3.39Å; T5-C9 PolarHBondContact O-N 3.45Å; T5-C9 PolarHBondContact O-SG 2.94Å; T5-E57 HydrophobicContact CG2-CG 3.41Å; T5-E57 VanDerWaalsContact CG2-CG 3.41Å; T5-E57 WeakPolarHBondContact CG2-OE1 3.45Å
6E69.8Low65.6Low102 Ų10281.6 Ų81.648%0.47740%0.401SS..Hα-helixtrans-67.8-40.9177.6-70.6179.1-176.400111.6I2 Q3 L8 C9 R10I2-E6 PolarHBondContact O-N 3.33Å; I2-E6 VanDerWaalsContact O-N 3.08Å; Q3-E6 PolarHBondContact O-N 2.99Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.35Å; E6-C9 PolarHBondContact O-N 3.14Å; E6-R10 WeakPolarHBondContact O-CG 3.29Å; E6-R10 PolarHBondContact O-N 3.45Å
7D73.5Confident65.9Low84 Ų8482.9 Ų82.945%0.44941%0.41SS..Hα-helixtrans-62.5-41.2174.8-71.9-28.2000111.7Q3 R10 K11Q3-D7 PolarHBondContact O-N 2.92Å; D7-R10 PolarHBondContact O-N 3.34Å; D7-K11 WeakPolarHBondContact O-CG 3.36Å; D7-K11 PolarHBondContact O-N 3.42Å
8L66.8Low65.7Low12 Ų1281.1 Ų81.16%0.06340%0.4CS..Hα-helixtrans-64.4-42174.3-73170.8000111.8T4 T5 E6 R10 K11 L12 I36 L40 V60T4-L8 WeakPolarHBondContact O-CB 3.4Å; T4-L8 WeakPolarHBondContact O-CG 3.46Å; T4-L8 PolarHBondContact O-N 2.91Å; T5-L8 PolarHBondContact O-N 3.39Å; E6-L8 VanDerWaalsContact C-N 3.34Å; E6-L8 PolarHBondContact O-N 3.35Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 2.89Å; L8-K11 PolarHBondContact O-N 3.37Å; L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 2.7Å; L8-I36 HydrophobicContact CD2-CG2 4.34Å; L8-L40 HydrophobicContact CD1-CD2 4.06Å; L8-L40 HydrophobicContact CD2-CD2 4.4Å; L8-V60 HydrophobicContact CB-CG1 4.17Å
9C67.6Low65.4Low41 Ų4178.9 Ų78.928%0.27739%0.387SS..Hα-helixtrans-62-41174.9-68.10000111.8T5 E6 L12 Q13T5-C9 PolarHBondContact O-N 3.45Å; T5-C9 PolarHBondContact O-SG 2.94Å; E6-C9 PolarHBondContact O-N 3.14Å; C9-L12 PolarHBondContact O-N 3.5Å; C9-Q13 WeakPolarHBondContact O-CG 3.25Å; C9-Q13 PolarHBondContact O-N 3.41Å
10R72.1Confident65.3Low152 Ų15280.8 Ų80.857%0.57440%0.398SS*.Hα-helixtrans-65.2-42.1175.5-73.4176-179.5-176.12.3111.9E6 D7 L8 L12 Q13 N14E6-R10 WeakPolarHBondContact O-CG 3.29Å; E6-R10 PolarHBondContact O-N 3.45Å; D7-R10 PolarHBondContact O-N 3.34Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 2.89Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 2.87Å; R10-Q13 PolarHBondContact O-N 3.46Å; R10-N14 WeakPolarHBondContact O-CB 3.42Å; R10-N14 VanDerWaalsContact O-CG 3.23Å; R10-N14 PolarHBondContact O-N 2.79Å; R10-N14 PolarHBondContact O-ND2 2.84Å
11K70.6Confident65.4Low88 Ų8882.7 Ų82.738%0.38340%0.404SS..Hα-helixtrans-61.8-39.8174.6-75.2-176178.8-165.10111.7D7 L8 N14 L15 I36D7-K11 WeakPolarHBondContact O-CG 3.36Å; D7-K11 PolarHBondContact O-N 3.42Å; L8-K11 PolarHBondContact O-N 3.37Å; K11-N14 PolarHBondContact O-N 2.83Å; K11-L15 WeakPolarHBondContact O-CB 3.33Å; K11-L15 PolarHBondContact O-N 3.33Å; K11-I36 HydrophobicContact CB-CD1 4.07Å; K11-I36 HydrophobicContact CB-CG1 3.99Å; K11-I36 HydrophobicContact CD-CG1 4.12Å
12L65.8Low65.7Low17 Ų1783.2 Ų83.29%0.08940%0.402CS..Hα-helixtrans-67.2-44.5175-177.7150.9000111.9L8 C9 R10 N14 L15 D16 V60L8-L12 WeakPolarHBondContact O-CB 3.41Å; L8-L12 PolarHBondContact O-N 2.7Å; C9-L12 PolarHBondContact O-N 3.5Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 2.87Å; L12-N14 VanDerWaalsContact C-N 3.25Å; L12-N14 PolarHBondContact O-N 3.18Å; L12-L15 CarbonylContact O-C 3.58Å; L12-L15 WeakPolarHBondContact O-CA 3.5Å; L12-L15 WeakPolarHBondContact O-CB 3.46Å; L12-L15 PolarHBondContact O-N 3.13Å; L12-D16 WeakPolarHBondContact CD2-OD2 3.4Å; L12-D16 PolarHBondContact O-N 2.86Å; L12-V60 HydrophobicContact CB-CG1 4.24Å; L12-V60 HydrophobicContact CD1-CB 4.05Å; L12-V60 HydrophobicContact CD1-CG1 3.73Å; L12-V60 HydrophobicContact CD1-CG2 4.18Å
13Q72.1Confident65.8Low117 Ų11785.1 Ų85.155%0.54741%0.413SS..Hα-helixtrans-60.4-38.6174.3-75.6177.6-16.600111.5C9 R10 L15 D16 N17C9-Q13 WeakPolarHBondContact O-CG 3.25Å; C9-Q13 PolarHBondContact O-N 3.41Å; R10-Q13 PolarHBondContact O-N 3.46Å; Q13-L15 VanDerWaalsContact C-N 3.33Å; Q13-D16 PolarHBondContact O-N 3.34Å; Q13-N17 WeakPolarHBondContact O-CB 3.38Å; Q13-N17 PolarHBondContact O-N 2.93Å; Q13-N17 PolarHBondContact O-ND2 3.35Å
14N72.9Confident66.1Low96 Ų9679.5 Ų79.551%0.51339%0.387SS..Hα-helixtrans-64.8-38.4172.2-71.4-19.8000111.4R10 K11 L12 E18R10-N14 WeakPolarHBondContact O-CB 3.42Å; R10-N14 VanDerWaalsContact O-CG 3.23Å; R10-N14 PolarHBondContact O-N 2.79Å; R10-N14 PolarHBondContact O-ND2 2.84Å; K11-N14 PolarHBondContact O-N 2.83Å; L12-N14 VanDerWaalsContact C-N 3.25Å; L12-N14 PolarHBondContact O-N 3.18Å; N14-E18 WeakPolarHBondContact O-CB 3.24Å; N14-E18 WeakPolarHBondContact O-CG 3.41Å; N14-E18 PolarHBondContact O-N 2.79Å
15L66Low66.2Low2 Ų280.5 Ų80.51%0.0139%0.39CS..Hα-helixtrans-67.7-41.7175.8-174.166000111.9K11 L12 Q13 E18 W19 K32 V33 I36 T64 I67K11-L15 WeakPolarHBondContact O-CB 3.33Å; K11-L15 PolarHBondContact O-N 3.33Å; L12-L15 CarbonylContact O-C 3.58Å; L12-L15 WeakPolarHBondContact O-CA 3.5Å; L12-L15 WeakPolarHBondContact O-CB 3.46Å; L12-L15 PolarHBondContact O-N 3.13Å; Q13-L15 VanDerWaalsContact C-N 3.33Å; L15-E18 CarbonylContact O-C 3.44Å; L15-E18 PolarHBondContact O-N 3.16Å; L15-W19 WeakPolarHBondContact O-CB 3.25Å; L15-W19 PolarHBondContact O-N 3.49Å; L15-K32 HydrophobicContact CD1-CB 4.3Å; L15-V33 HydrophobicContact CD1-CG2 4.33Å; L15-V33 HydrophobicContact CD2-CG2 3.96Å; L15-I36 HydrophobicContact CB-CD1 4.41Å; L15-I36 HydrophobicContact CD2-CD1 4.03Å; L15-T64 HydrophobicContact CD2-CG2 4.39Å; L15-I67 HydrophobicContact CD2-CB 4.33Å; L15-I67 HydrophobicContact CD2-CD1 3.89Å; L15-I67 HydrophobicContact CD2-CG2 4.04Å; L15-I67 HydrophobicContact CG-CD1 4.14Å; L15-I67 HydrophobicContact CG-CG2 4.2Å
16D71.3Confident66.3Low53 Ų5381.3 Ų81.328%0.28340%0.395SS..Hα-helixtrans-65.1-42.7175.1-78.6-24.7000111.5L12 Q13 E18 W19 N20 I67L12-D16 WeakPolarHBondContact CD2-OD2 3.4Å; L12-D16 PolarHBondContact O-N 2.86Å; Q13-D16 PolarHBondContact O-N 3.34Å; D16-E18 VanDerWaalsContact C-N 3.33Å; D16-W19 PolarHBondContact O-N 2.74Å; D16-N20 WeakPolarHBondContact O-CB 3.28Å; D16-N20 PolarHBondContact O-N 2.93Å; D16-N20 PolarHBondContact O-ND2 2.97Å; D16-I67 VanDerWaalsContact OD1-CD1 3.31Å; D16-I67 WeakPolarHBondContact OD1-CD1 3.32Å
17N71.2Confident66.5Low103 Ų10381.9 Ų81.955%0.55140%0.397SS*.Hα-helixtrans-67.2-38.4175.6-75.1-30000111.4Q13 K21Q13-N17 WeakPolarHBondContact O-CB 3.38Å; Q13-N17 PolarHBondContact O-N 2.93Å; Q13-N17 PolarHBondContact O-ND2 3.35Å; N17-K21 WeakPolarHBondContact O-CG 3.03Å
18E62.5Low66.5Low50 Ų5081 Ų8123%0.23439%0.392CS..Hα-helixtrans-60.8-61.4171.8-73.5-84.512000107.1N14 L15 D16 N20 K21 H24 K32N14-E18 WeakPolarHBondContact O-CB 3.24Å; N14-E18 WeakPolarHBondContact O-CG 3.41Å; N14-E18 PolarHBondContact O-N 2.79Å; L15-E18 CarbonylContact O-C 3.44Å; L15-E18 PolarHBondContact O-N 3.16Å; D16-E18 VanDerWaalsContact C-N 3.33Å; E18-N20 VanDerWaalsContact C-N 3.25Å; E18-N20 PolarHBondContact O-N 2.84Å; E18-N20 VanDerWaalsContact O-N 3.12Å; E18-K21 WeakPolarHBondContact O-CB 3.49Å; E18-K21 WeakPolarHBondContact O-CG 3.46Å; E18-K21 PolarHBondContact O-N 3.35Å; E18-K21 IonicContact OE1-NZ 3.22Å; E18-K21 PolarHBondContact OE1-NZ 3.2Å; E18-H24 VanDerWaalsContact C-NE2 3.34Å; E18-H24 PolarHBondContact O-CD2 2.84Å; E18-H24 PolarHBondContact O-NE2 2.66Å; E18-K32 IonicContact OE1-NZ 3.95Å; E18-K32 IonicContact OE2-NZ 2.74Å; E18-K32 PolarHBondContact OE2-NZ 2.76Å
19W60.1Low66.7Low41 Ų4180.5 Ų80.516%0.15539%0.39CS..Hα-helixtrans-57.8-13-179.2-172.776.5000117.4L15 D16 H24 I67 M70L15-W19 WeakPolarHBondContact O-CB 3.25Å; L15-W19 PolarHBondContact O-N 3.49Å; D16-W19 PolarHBondContact O-N 2.74Å; W19-H24 VanDerWaalsContact CA-CD2 3.44Å; W19-H24 WeakPolarHBondContact CA-CD2 2.91Å; W19-H24 WeakPolarHBondContact CA-NE2 3.36Å; W19-H24 PolarHBondContact O-CE1 2.62Å; W19-H24 PolarHBondContact O-NE2 3.31Å; W19-I67 HydrophobicContact CG-CG2 4.28Å; W19-M70 HydrophobicContact CH2-SD 4.11Å; W19-M70 HydrophobicContact CZ2-SD 3.56Å; W19-M70 VanDerWaalsContact CZ2-SD 3.56Å
20N63.3Low67Low115 Ų11579.3 Ų79.362%0.61538%0.381SS*.THydrogen-bonded Turntrans-91.1-12.5169.8-79.9-60000113.8D16 E18 K22 H24D16-N20 WeakPolarHBondContact O-CB 3.28Å; D16-N20 PolarHBondContact O-N 2.93Å; D16-N20 PolarHBondContact O-ND2 2.97Å; E18-N20 VanDerWaalsContact C-N 3.25Å; E18-N20 PolarHBondContact O-N 2.84Å; E18-N20 VanDerWaalsContact O-N 3.12Å; N20-K22 PolarHBondContact O-N 2.84Å; N20-H24 PolarHBondContact N-NE2 2.92Å
21K66.5Low67.4Low121 Ų12177.3 Ų77.353%0.52638%0.376SS..SBendtrans-74.486.3173.5-65.9172-175.8177.50112.1N17 E18 N23 H24N17-K21 WeakPolarHBondContact O-CG 3.03Å; E18-K21 WeakPolarHBondContact O-CB 3.49Å; E18-K21 WeakPolarHBondContact O-CG 3.46Å; E18-K21 PolarHBondContact O-N 3.35Å; E18-K21 IonicContact OE1-NZ 3.22Å; E18-K21 PolarHBondContact OE1-NZ 3.2Å; K21-N23 CarbonylContact O-C 3.56Å; K21-N23 VanDerWaalsContact O-C 3.29Å; K21-N23 WeakPolarHBondContact O-CA 3.27Å; K21-N23 PolarHBondContact O-N 3.04Å; K21-H24 WeakPolarHBondContact CA-NE2 3.34Å; K21-H24 PolarHBondContact N-NE2 2.63Å; K21-H24 PolarHBondContact O-CD2 3.19Å; K21-H24 PolarHBondContact O-CE1 3.43Å; K21-H24 PolarHBondContact O-N 3.27Å; K21-H24 PolarHBondContact O-ND1 3.46Å; K21-H24 PolarHBondContact O-NE2 3Å
22K55.4Low67.6Low201 Ų20176.3 Ų76.387%0.87437%0.372SS*.SBendtrans3.2-43.8166.9-65.1-174.4179.7-178.70121.3N20N20-K22 PolarHBondContact O-N 2.84Å
23N52.6Low68.1Low160 Ų16075.5 Ų75.586%0.85637%0.368SS*.SBendtrans-116.473.1173.5-67.7-13.5000111.8K21K21-N23 CarbonylContact O-C 3.56Å; K21-N23 VanDerWaalsContact O-C 3.29Å; K21-N23 WeakPolarHBondContact O-CA 3.27Å; K21-N23 PolarHBondContact O-N 3.04Å
24H60Low68.4Low38 Ų3875.3 Ų75.318%0.17637%0.367CS..  trans-69.5138.1175.3-53.798000111.4E18 W19 N20 K21 V26E18-H24 VanDerWaalsContact C-NE2 3.34Å; E18-H24 PolarHBondContact O-CD2 2.84Å; E18-H24 PolarHBondContact O-NE2 2.66Å; W19-H24 VanDerWaalsContact CA-CD2 3.44Å; W19-H24 WeakPolarHBondContact CA-CD2 2.91Å; W19-H24 WeakPolarHBondContact CA-NE2 3.36Å; W19-H24 PolarHBondContact O-CE1 2.62Å; W19-H24 PolarHBondContact O-NE2 3.31Å; N20-H24 PolarHBondContact N-NE2 2.92Å; K21-H24 WeakPolarHBondContact CA-NE2 3.34Å; K21-H24 PolarHBondContact N-NE2 2.63Å; K21-H24 PolarHBondContact O-CD2 3.19Å; K21-H24 PolarHBondContact O-CE1 3.43Å; K21-H24 PolarHBondContact O-N 3.27Å; K21-H24 PolarHBondContact O-ND1 3.46Å; K21-H24 PolarHBondContact O-NE2 3Å; H24-V26 PolarHBondContact O-N 3.32Å; H24-V26 VanDerWaalsContact O-N 3.16Å
25N66.6Low68.6Low88 Ų8876.1 Ų76.147%0.47137%0.367SS..  trans-76102.9161.6-162.20.2000108E27 D28 C29N25-E27 PolarHBondContact O-N 2.91Å; N25-D28 HydrophobicContact CB-CB 4.14Å; N25-D28 WeakPolarHBondContact CB-OD2 3.41Å; N25-D28 PolarHBondContact ND2-OD2 3.08Å; N25-D28 PolarHBondContact O-N 2.92Å; N25-D28 VanDerWaalsContact O-N 3.14Å; N25-C29 PolarHBondContact O-N 2.82Å; N25-C29 PolarHBondContact O-SG 3.21Å
26V66.4Low69Low27 Ų2776.2 Ų76.216%0.16437%0.368CS..Hα-helixtrans-55.3-36.7-176.7-179.30000111H24 C29 L30 L71 E74 K75H24-V26 PolarHBondContact O-N 3.32Å; H24-V26 VanDerWaalsContact O-N 3.16Å; V26-C29 PolarHBondContact O-N 3.32Å; V26-L30 HydrophobicContact CG1-CD1 4.23Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.41Å; V26-L71 HydrophobicContact CG1-CD2 4.48Å; V26-E74 HydrophobicContact CG2-CG 4.49Å; V26-K75 HydrophobicContact CG1-CB 4.02Å; V26-K75 HydrophobicContact CG1-CD 4.43Å; V26-K75 HydrophobicContact CG1-CG 4.42Å
27E73.5Confident69.1Low113 Ų11375.2 Ų75.253%0.52836%0.364SS..Hα-helixtrans-68.1-41.6178.9-64.9-172.9174.400113.2N25 C29 L30 K31N25-E27 PolarHBondContact O-N 2.91Å; E27-C29 VanDerWaalsContact C-N 3.31Å; E27-L30 PolarHBondContact O-N 2.91Å; E27-K31 WeakPolarHBondContact O-CG 3.5Å; E27-K31 PolarHBondContact O-N 3.02Å
28D73.2Confident69.4Low66 Ų6673.1 Ų73.135%0.35336%0.357SS..Hα-helixtrans-69.6-34.7178.2-67.4-30.2000111N25 K31 K32N25-D28 HydrophobicContact CB-CB 4.14Å; N25-D28 WeakPolarHBondContact CB-OD2 3.41Å; N25-D28 PolarHBondContact ND2-OD2 3.08Å; N25-D28 PolarHBondContact O-N 2.92Å; N25-D28 VanDerWaalsContact O-N 3.14Å; D28-K31 PolarHBondContact O-N 2.8Å; D28-K32 WeakPolarHBondContact O-CG 3.46Å; D28-K32 PolarHBondContact O-N 2.97Å
29C71.7Confident69.7Low1 Ų171.6 Ų71.61%0.00736%0.355CS..Hα-helixtrans-66.1-41.6173.9-61.90000111.1N25 V26 E27 K32 V33 L71N25-C29 PolarHBondContact O-N 2.82Å; N25-C29 PolarHBondContact O-SG 3.21Å; V26-C29 PolarHBondContact O-N 3.32Å; E27-C29 VanDerWaalsContact C-N 3.31Å; C29-K32 PolarHBondContact O-N 2.92Å; C29-V33 VanDerWaalsContact O-CG2 3.31Å; C29-V33 WeakPolarHBondContact O-CG2 3.26Å; C29-V33 PolarHBondContact O-N 3.28Å; C29-L71 HydrophobicContact CB-CD1 3.51Å; C29-L71 HydrophobicContact CB-CD2 4.1Å; C29-L71 HydrophobicContact CB-CG 4.47Å
30L74.1Confident70.1Confident16 Ų1671 Ų718%0.08435%0.354CS..Hα-helixtrans-63.7-42.6175.5-73.8172.7000112.2V26 E27 K32 V33 E34 L71 K75V26-L30 HydrophobicContact CG1-CD1 4.23Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.39Å; V26-L30 PolarHBondContact O-N 3.41Å; E27-L30 PolarHBondContact O-N 2.91Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 3.26Å; L30-V33 WeakPolarHBondContact O-CB 3.18Å; L30-V33 PolarHBondContact O-N 3Å; L30-V33 VanDerWaalsContact O-N 3.15Å; L30-E34 WeakPolarHBondContact O-CG 3.47Å; L30-E34 PolarHBondContact O-N 3.38Å; L30-L71 HydrophobicContact CD2-CB 4.25Å; L30-K75 HydrophobicContact CD1-CD 3.6Å
31K79.8Confident70.5Confident110 Ų11069.7 Ų69.748%0.47835%0.351SS..Hα-helixtrans-59.3-43.3173.4-71.9173.3-173163.40111.8E27 D28 V33 E34 E35E27-K31 WeakPolarHBondContact O-CG 3.5Å; E27-K31 PolarHBondContact O-N 3.02Å; D28-K31 PolarHBondContact O-N 2.8Å; K31-V33 VanDerWaalsContact C-N 3.33Å; K31-V33 PolarHBondContact O-N 2.89Å; K31-E34 PolarHBondContact O-N 3.29Å; K31-E35 WeakPolarHBondContact O-CG 3.28Å; K31-E35 PolarHBondContact O-N 3.27Å
32K74Confident70.4Confident68 Ų6874.5 Ų74.530%0.29637%0.366SS..Hα-helixtrans-63.3-39.3175.2-73.2174.5-177.3179.20112L15 E18 D28 C29 L30 E35 I36L15-K32 HydrophobicContact CD1-CB 4.3Å; E18-K32 IonicContact OE1-NZ 3.95Å; E18-K32 IonicContact OE2-NZ 2.74Å; E18-K32 PolarHBondContact OE2-NZ 2.76Å; D28-K32 WeakPolarHBondContact O-CG 3.46Å; D28-K32 PolarHBondContact O-N 2.97Å; C29-K32 PolarHBondContact O-N 2.92Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 3.26Å; K32-E35 PolarHBondContact O-N 2.94Å; K32-I36 WeakPolarHBondContact O-CD1 3.3Å; K32-I36 WeakPolarHBondContact O-CG1 3.49Å; K32-I36 PolarHBondContact O-N 2.84Å
33V77.2Confident70.5Confident0 Ų066.1 Ų66.10%033%0.332CS..Hα-helixtrans-62.1-46173.7166.20000110.4L15 C29 L30 K31 E35 I36 T37 T64 A68 L71L15-V33 HydrophobicContact CD1-CG2 4.33Å; L15-V33 HydrophobicContact CD2-CG2 3.96Å; C29-V33 VanDerWaalsContact O-CG2 3.31Å; C29-V33 WeakPolarHBondContact O-CG2 3.26Å; C29-V33 PolarHBondContact O-N 3.28Å; L30-V33 WeakPolarHBondContact O-CB 3.18Å; L30-V33 PolarHBondContact O-N 3Å; L30-V33 VanDerWaalsContact O-N 3.15Å; K31-V33 VanDerWaalsContact C-N 3.33Å; K31-V33 PolarHBondContact O-N 2.89Å; V33-E35 VanDerWaalsContact C-N 3.34Å; V33-E35 PolarHBondContact O-N 3.32Å; V33-I36 CarbonylContact O-C 3.57Å; V33-I36 PolarHBondContact O-N 3.18Å; V33-I36 VanDerWaalsContact O-N 3.09Å; V33-T37 HydrophobicContact CG1-CG2 4.12Å; V33-T37 WeakPolarHBondContact O-CG2 3.43Å; V33-T37 PolarHBondContact O-N 3.2Å; V33-T37 PolarHBondContact O-OG1 3.37Å; V33-T37 VanDerWaalsContact O-OG1 3.13Å; V33-T64 HydrophobicContact CG1-CG2 4.38Å; V33-A68 HydrophobicContact CG1-CB 3.62Å; V33-A68 HydrophobicContact CG2-CB 4.38Å; V33-L71 HydrophobicContact CG2-CD1 4.36Å
34E78.2Confident70.5Confident112 Ų11261.9 Ų61.952%0.52332%0.319SS..Hα-helixtrans-61.2-39.2176.1-71.9174.3-173.900112.6L30 K31 I36 T37 S38L30-E34 WeakPolarHBondContact O-CG 3.47Å; L30-E34 PolarHBondContact O-N 3.38Å; K31-E34 PolarHBondContact O-N 3.29Å; E34-I36 VanDerWaalsContact C-N 3.32Å; E34-I36 PolarHBondContact O-N 3.16Å; E34-T37 WeakPolarHBondContact CA-OG1 3.43Å; E34-T37 PolarHBondContact O-OG1 3.21Å; E34-T37 VanDerWaalsContact O-OG1 3.12Å; E34-S38 VanDerWaalsContact O-CB 3.24Å; E34-S38 WeakPolarHBondContact O-CB 3.34Å; E34-S38 PolarHBondContact O-N 3Å; E34-S38 PolarHBondContact O-OG 3.33Å
35E78.1Confident70.2Confident114 Ų11466.7 Ų66.753%0.53334%0.34SS..Hα-helixtrans-65-35.3172.9-74.4179.8-164.900112.7K31 K32 V33 S38 G39K31-E35 WeakPolarHBondContact O-CG 3.28Å; K31-E35 PolarHBondContact O-N 3.27Å; K32-E35 PolarHBondContact O-N 2.94Å; V33-E35 VanDerWaalsContact C-N 3.34Å; V33-E35 PolarHBondContact O-N 3.32Å; E35-S38 WeakPolarHBondContact CA-OG 3.5Å; E35-S38 PolarHBondContact O-OG 3.15Å; E35-G39 PolarHBondContact O-N 3.47Å
36I73.5Confident69.4Low4 Ų468.2 Ų68.22%0.02135%0.348CS..Hα-helixtrans-75.7-45.4176.7-65.3163000110.1L8 K11 L15 K32 V33 E34 S38 G39 L40 T64L8-I36 HydrophobicContact CD2-CG2 4.34Å; K11-I36 HydrophobicContact CB-CD1 4.07Å; K11-I36 HydrophobicContact CB-CG1 3.99Å; K11-I36 HydrophobicContact CD-CG1 4.12Å; L15-I36 HydrophobicContact CB-CD1 4.41Å; L15-I36 HydrophobicContact CD2-CD1 4.03Å; K32-I36 WeakPolarHBondContact O-CD1 3.3Å; K32-I36 WeakPolarHBondContact O-CG1 3.49Å; K32-I36 PolarHBondContact O-N 2.84Å; V33-I36 CarbonylContact O-C 3.57Å; V33-I36 PolarHBondContact O-N 3.18Å; V33-I36 VanDerWaalsContact O-N 3.09Å; E34-I36 VanDerWaalsContact C-N 3.32Å; E34-I36 PolarHBondContact O-N 3.16Å; I36-S38 PolarHBondContact O-N 3.18Å; I36-G39 CarbonylContact O-C 3.55Å; I36-G39 VanDerWaalsContact O-CA 3.3Å; I36-G39 WeakPolarHBondContact O-CA 3.37Å; I36-G39 PolarHBondContact O-N 3.2Å; I36-L40 HydrophobicContact CG2-CD1 4.05Å; I36-L40 HydrophobicContact CG2-CG 4.21Å; I36-L40 WeakPolarHBondContact O-CG 3.08Å; I36-L40 PolarHBondContact O-N 3.03Å; I36-T64 HydrophobicContact CB-CG2 4Å; I36-T64 HydrophobicContact CD1-CG2 4.4Å; I36-T64 HydrophobicContact CG2-CG2 3.64Å
37T74Confident68.7Low32 Ų3269.2 Ų69.220%0.19636%0.355CS..Hα-helixtrans-65.7-37.1179.556.60000112.3V33 E34 G39 L40 T41 L65V33-T37 HydrophobicContact CG1-CG2 4.12Å; V33-T37 WeakPolarHBondContact O-CG2 3.43Å; V33-T37 PolarHBondContact O-N 3.2Å; V33-T37 PolarHBondContact O-OG1 3.37Å; V33-T37 VanDerWaalsContact O-OG1 3.13Å; E34-T37 WeakPolarHBondContact CA-OG1 3.43Å; E34-T37 PolarHBondContact O-OG1 3.21Å; E34-T37 VanDerWaalsContact O-OG1 3.12Å; T37-G39 VanDerWaalsContact C-N 3.3Å; T37-G39 PolarHBondContact O-N 3.47Å; T37-L40 PolarHBondContact O-N 3.42Å; T37-T41 PolarHBondContact O-N 3.11Å; T37-T41 PolarHBondContact O-OG1 2.92Å; T37-L65 HydrophobicContact CG2-CD2 4.48Å
38S76Confident67.7Low59 Ų5972.1 Ų72.141%0.41337%0.365SS..Hα-helixtrans-64.8-34.7169.360.60000112.2E34 E35 I36E34-S38 VanDerWaalsContact O-CB 3.24Å; E34-S38 WeakPolarHBondContact O-CB 3.34Å; E34-S38 PolarHBondContact O-N 3Å; E34-S38 PolarHBondContact O-OG 3.33Å; E35-S38 WeakPolarHBondContact CA-OG 3.5Å; E35-S38 PolarHBondContact O-OG 3.15Å; I36-S38 PolarHBondContact O-N 3.18Å
39G68.9Low66.6Low18 Ų1874.1 Ų74.119%0.18638%0.376CS..Hα-helixtrans-65.5-40.8169.700000113.3E35 I36 T37 R42E35-G39 PolarHBondContact O-N 3.47Å; I36-G39 CarbonylContact O-C 3.55Å; I36-G39 VanDerWaalsContact O-CA 3.3Å; I36-G39 WeakPolarHBondContact O-CA 3.37Å; I36-G39 PolarHBondContact O-N 3.2Å; T37-G39 VanDerWaalsContact C-N 3.3Å; T37-G39 PolarHBondContact O-N 3.47Å; G39-R42 WeakPolarHBondContact O-CB 3.48Å; G39-R42 PolarHBondContact O-N 3.17Å
40L69.4Low65.8Low27 Ų2783.1 Ų83.114%0.14142%0.418CS..Hα-helixtrans-68.4-37.4178.7-70171.1000112L8 I36 T37 R42 C43 A61L8-L40 HydrophobicContact CD1-CD2 4.06Å; L8-L40 HydrophobicContact CD2-CD2 4.4Å; I36-L40 HydrophobicContact CG2-CD1 4.05Å; I36-L40 HydrophobicContact CG2-CG 4.21Å; I36-L40 WeakPolarHBondContact O-CG 3.08Å; I36-L40 PolarHBondContact O-N 3.03Å; T37-L40 PolarHBondContact O-N 3.42Å; L40-R42 PolarHBondContact O-N 3.16Å; L40-R42 VanDerWaalsContact O-N 3.16Å; L40-C43 WeakPolarHBondContact O-CA 3.42Å; L40-C43 WeakPolarHBondContact O-CB 3.37Å; L40-C43 PolarHBondContact O-N 3.05Å; L40-A61 HydrophobicContact CD1-CB 3.86Å; L40-A61 HydrophobicContact CD2-CB 4.09Å
41T70.6Confident65.1Low89 Ų8985 Ų8555%0.54643%0.433SS..Hα-helixtrans-59.5-25.6174.3-55.70000112.3T37 F45T37-T41 PolarHBondContact O-N 3.11Å; T37-T41 PolarHBondContact O-OG1 2.92Å; T41-F45 HydrophobicContact CG2-CE2 4.05Å; T41-F45 HydrophobicContact CG2-CZ 4.43Å
42R66Low64.2Low221 Ų22186.6 Ų86.683%0.83444%0.442SS*.THydrogen-bonded Turntrans-79.5-18.4174.8-61.5175-176.7-172.70.9112.9G39 L40G39-R42 WeakPolarHBondContact O-CB 3.48Å; G39-R42 PolarHBondContact O-N 3.17Å; L40-R42 PolarHBondContact O-N 3.16Å; L40-R42 VanDerWaalsContact O-N 3.16Å
43C56.5Low63.8Low26 Ų2685.2 Ų85.218%0.17644%0.443CS..SBendtrans-83.6154.1171.3-72.10000110.4L40 F45L40-C43 WeakPolarHBondContact O-CA 3.42Å; L40-C43 WeakPolarHBondContact O-CB 3.37Å; L40-C43 PolarHBondContact O-N 3.05Å; C43-F45 PolarHBondContact O-N 3.18Å
44A53.5Low63.5Low70 Ų7086.3 Ų86.358%0.57945%0.45SS*.  trans-67.8116.1-175.900000111L46A44-L46 PolarHBondContact O-N 3.32Å
45F52.8Low63.2Low140 Ų14087.2 Ų87.261%0.61445%0.449SS*.SBendtrans-59.3-27.1173.2-82.3-87.5000113.8T41 C43T41-F45 HydrophobicContact CG2-CE2 4.05Å; T41-F45 HydrophobicContact CG2-CZ 4.43Å; C43-F45 PolarHBondContact O-N 3.18Å
46L50.1Low63.1Low120 Ų12089 Ų8963%0.62845%0.451SS*.SBendtrans-94.1118.7170.6-114.878.2000108.1A44 K48A44-L46 PolarHBondContact O-N 3.32Å; L46-K48 HydrophobicContact CB-CG 4.3Å; L46-K48 PolarHBondContact O-N 3.17Å
47P52.3Low63.3Low48 Ų4890.2 Ų90.231%0.31246%0.457SS..  trans-63.588.515827.5-30.6000106.7N49 Y95P47-N49 PolarHBondContact O-N 3.46Å; P47-Y95 HydrophobicContact CG-CE1 4.11Å
48K52.2Low63.5Low174 Ų17489.6 Ų89.676%0.75745%0.452SS*.SBendtrans-60.7-24.8176.1-68.8-174.8179.4-178.50110.8L46L46-K48 HydrophobicContact CB-CG 4.3Å; L46-K48 PolarHBondContact O-N 3.17Å
49N50.4Low63.8Low108 Ų10890 Ų9058%0.57845%0.449SS*.SBendtrans-131.8135.5179.8-57.2-24000108.3P47 S51P47-N49 PolarHBondContact O-N 3.46Å; N49-S51 WeakPolarHBondContact CB-OG 3.3Å; N49-S51 PolarHBondContact O-N 2.97Å
50E54.7Low64.4Low189 Ų18989.5 Ų89.588%0.88344%0.442SS*.  trans-66.535.9169.5-62.8176.2153.300112.6
51S60Low65Low57 Ų5788.4 Ų88.440%0.39944%0.438SS..  trans-74.3144.7-179.6-57.60000110.5N49 A53 S54 R55N49-S51 WeakPolarHBondContact CB-OG 3.3Å; N49-S51 PolarHBondContact O-N 2.97Å; S51-A53 PolarHBondContact O-N 3.29Å; S51-A53 VanDerWaalsContact O-N 3.07Å; S51-S54 PolarHBondContact O-N 3.38Å; S51-R55 PolarHBondContact O-N 3.25Å
52E60.9Low65.7Low143 Ų14384.9 Ų84.967%0.66841%0.414SS*.Hα-helixtrans-53.2-31.5176.3-65-173.417300113.2R55 R56E52-R55 WeakPolarHBondContact O-CB 3.38Å; E52-R55 PolarHBondContact O-N 3.39Å; E52-R56 WeakPolarHBondContact O-CG 3.4Å; E52-R56 PolarHBondContact O-N 3.03Å; E52-R56 IonicContact OE2-NH2 3.05Å
53A63.5Low66.6Low38 Ų3875.6 Ų75.631%0.31438%0.383SS..Hα-helixtrans-60.5-45.5175.600000111.9S51 R55 R56 E57S51-A53 PolarHBondContact O-N 3.29Å; S51-A53 VanDerWaalsContact O-N 3.07Å; A53-R55 VanDerWaalsContact C-N 3.3Å; A53-R55 PolarHBondContact O-N 2.94Å; A53-R56 PolarHBondContact O-N 2.72Å; A53-E57 WeakPolarHBondContact O-CG 3.42Å; A53-E57 PolarHBondContact O-N 3.35Å
54S71.1Confident67.9Low23 Ų2374.3 Ų74.316%0.16138%0.375CS..Hα-helixtrans-66-33.5176.9-590000111.7S51 E57 L58S51-S54 PolarHBondContact O-N 3.38Å; S54-E57 PolarHBondContact O-N 3.19Å; S54-L58 WeakPolarHBondContact O-CB 3.5Å; S54-L58 WeakPolarHBondContact O-CG 3.23Å; S54-L58 PolarHBondContact O-N 3.38Å
55R73.7Confident69.5Low132 Ų13271.3 Ų71.350%0.49835%0.349SS..Hα-helixtrans-63.6-42.1173.1-168.6-177.9-171.71765.2112.2S51 E52 A53 L59 N98 L99S51-R55 PolarHBondContact O-N 3.25Å; E52-R55 WeakPolarHBondContact O-CB 3.38Å; E52-R55 PolarHBondContact O-N 3.39Å; A53-R55 VanDerWaalsContact C-N 3.3Å; A53-R55 PolarHBondContact O-N 2.94Å; R55-L59 WeakPolarHBondContact O-CB 3.12Å; R55-L59 PolarHBondContact O-N 3.13Å; R55-N98 VanDerWaalsContact CZ-O 3.24Å; R55-N98 PolarHBondContact NE-O 2.94Å; R55-N98 PolarHBondContact NH2-O 3.47Å; R55-N98 VanDerWaalsContact NH2-O 3.16Å; R55-L99 HydrophobicContact CG-CD2 4.26Å
56R75.5Confident71.2Confident150 Ų15064.9 Ų64.957%0.56632%0.321SS*.Hα-helixtrans-66.2-42176.4-67.2179.3-166.7174.26.8111.4E52 A53 L59 V60E52-R56 WeakPolarHBondContact O-CG 3.4Å; E52-R56 PolarHBondContact O-N 3.03Å; E52-R56 IonicContact OE2-NH2 3.05Å; A53-R56 PolarHBondContact O-N 2.72Å; R56-L59 PolarHBondContact O-N 3.01Å; R56-V60 WeakPolarHBondContact O-CG2 3.27Å; R56-V60 PolarHBondContact O-N 2.81Å
57E76.9Confident72.8Confident30 Ų3059.5 Ų59.514%0.1429%0.293CS..Hα-helixtrans-59.6-46.5175.1-71.6172.8157.500111.9T5 A53 S54 L59 V60 A61T5-E57 HydrophobicContact CG2-CG 3.41Å; T5-E57 VanDerWaalsContact CG2-CG 3.41Å; T5-E57 WeakPolarHBondContact CG2-OE1 3.45Å; A53-E57 WeakPolarHBondContact O-CG 3.42Å; A53-E57 PolarHBondContact O-N 3.35Å; S54-E57 PolarHBondContact O-N 3.19Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 2.96Å; E57-V60 PolarHBondContact O-N 3.09Å; E57-A61 WeakPolarHBondContact O-CB 3.49Å; E57-A61 PolarHBondContact O-N 2.91Å
58L79.5Confident74.4Confident20 Ų2057.2 Ų57.211%0.10528%0.278CS..Hα-helixtrans-62.7-38.9177.2-71.3171.9000112.1S54 A61 R62 Y91 Y95 L99S54-L58 WeakPolarHBondContact O-CB 3.5Å; S54-L58 WeakPolarHBondContact O-CG 3.23Å; S54-L58 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.26Å; L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 PolarHBondContact O-N 2.73Å; L58-Y91 HydrophobicContact CD2-CD1 4.38Å; L58-Y91 HydrophobicContact CD2-CE1 3.83Å; L58-Y95 HydrophobicContact CD1-CD1 4.08Å; L58-Y95 HydrophobicContact CD1-CE1 4.23Å; L58-Y95 HydrophobicContact CD2-CE1 4.42Å; L58-L99 HydrophobicContact CB-CD1 4.18Å; L58-L99 HydrophobicContact CB-CD2 4.04Å
59L82Confident76.1Confident66 Ų6649 Ų4935%0.34624%0.242SC..Hα-helixtrans-64.6-45.2176.1-169.9152.7000111.1R55 R56 E57 R62 S63 L99R55-L59 WeakPolarHBondContact O-CB 3.12Å; R55-L59 PolarHBondContact O-N 3.13Å; R56-L59 PolarHBondContact O-N 3.01Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 2.96Å; L59-R62 PolarHBondContact O-N 3.32Å; L59-S63 WeakPolarHBondContact O-CB 3.28Å; L59-S63 PolarHBondContact O-N 3.02Å; L59-S63 PolarHBondContact O-OG 3.27Å; L59-L99 HydrophobicContact CB-CD2 4.17Å
60V81.3Confident77.7Confident8 Ų844 Ų445%0.04822%0.215CC..Hα-helixtrans-63-42.1177170.10000111.4L8 L12 R56 E57 T64L8-V60 HydrophobicContact CB-CG1 4.17Å; L12-V60 HydrophobicContact CB-CG1 4.24Å; L12-V60 HydrophobicContact CD1-CB 4.05Å; L12-V60 HydrophobicContact CD1-CG1 3.73Å; L12-V60 HydrophobicContact CD1-CG2 4.18Å; R56-V60 WeakPolarHBondContact O-CG2 3.27Å; R56-V60 PolarHBondContact O-N 2.81Å; E57-V60 PolarHBondContact O-N 3.09Å; V60-T64 WeakPolarHBondContact O-CB 3.4Å; V60-T64 PolarHBondContact O-N 3.42Å; V60-T64 PolarHBondContact O-OG1 2.99Å
61A82.3Confident79.1Confident5 Ų535 Ų354%0.04117%0.173CC..Hα-helixtrans-60.1-49.6175.900000111.5L40 E57 L58 T64 L65 Y91L40-A61 HydrophobicContact CD1-CB 3.86Å; L40-A61 HydrophobicContact CD2-CB 4.09Å; E57-A61 WeakPolarHBondContact O-CB 3.49Å; E57-A61 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 3.26Å; A61-T64 PolarHBondContact O-N 3.29Å; A61-L65 VanDerWaalsContact O-CG 3.32Å; A61-L65 WeakPolarHBondContact O-CG 3.45Å; A61-L65 PolarHBondContact O-N 3.24Å; A61-Y91 HydrophobicContact CB-CE1 4.14Å
62R85.2Confident80.2Confident14 Ų1432.4 Ų32.45%0.05316%0.155CC..Hα-helixtrans-58.3-53.1177.4-178-177.268.6-177.16.1111.3L58 L59 T64 L65 E66 L88 Y91 Y92 P100L58-R62 WeakPolarHBondContact O-CB 3.47Å; L58-R62 PolarHBondContact O-N 2.73Å; L59-R62 PolarHBondContact O-N 3.32Å; R62-T64 VanDerWaalsContact C-N 3.28Å; R62-T64 PolarHBondContact O-N 3.41Å; R62-L65 PolarHBondContact O-N 3.09Å; R62-L65 VanDerWaalsContact O-N 3.12Å; R62-E66 HydrophobicContact CG-CG 4.25Å; R62-E66 IonicContact NE-OE1 2.68Å; R62-E66 WeakPolarHBondContact O-CG 3.07Å; R62-E66 PolarHBondContact O-N 3.18Å; R62-L88 HydrophobicContact CG-CD2 4.4Å; R62-Y91 HydrophobicContact CB-CG 4.48Å; R62-Y92 HydrophobicContact CG-CE1 4.39Å; R62-P100 VanDerWaalsContact CZ-O 3.3Å; R62-P100 PolarHBondContact NH1-O 3.4Å; R62-P100 PolarHBondContact NH2-O 3.41Å
63S84.2Confident81.3Confident26 Ų2625.9 Ų25.918%0.18213%0.125CC..Hα-helixtrans-60.1-37.8-179.1-72.90000112.6L59 E66 I67L59-S63 WeakPolarHBondContact O-CB 3.28Å; L59-S63 PolarHBondContact O-N 3.02Å; L59-S63 PolarHBondContact O-OG 3.27Å; S63-E66 PolarHBondContact O-N 3.03Å; S63-I67 WeakPolarHBondContact O-CD1 3.18Å; S63-I67 VanDerWaalsContact O-CG1 3.28Å; S63-I67 WeakPolarHBondContact O-CG1 3.46Å; S63-I67 PolarHBondContact O-N 3.47Å; S63-I67 VanDerWaalsContact O-N 3.09Å
64T84.3Confident82.2Confident0 Ų029.9 Ų29.90%014%0.137CC..Hα-helixtrans-63.4-45.1174.7-54.80000111.3L15 V33 I36 V60 A61 R62 I67 A68L15-T64 HydrophobicContact CD2-CG2 4.39Å; V33-T64 HydrophobicContact CG1-CG2 4.38Å; I36-T64 HydrophobicContact CB-CG2 4Å; I36-T64 HydrophobicContact CD1-CG2 4.4Å; I36-T64 HydrophobicContact CG2-CG2 3.64Å; V60-T64 WeakPolarHBondContact O-CB 3.4Å; V60-T64 PolarHBondContact O-N 3.42Å; V60-T64 PolarHBondContact O-OG1 2.99Å; A61-T64 PolarHBondContact O-N 3.29Å; R62-T64 VanDerWaalsContact C-N 3.28Å; R62-T64 PolarHBondContact O-N 3.41Å; T64-I67 PolarHBondContact O-N 3.49Å; T64-A68 WeakPolarHBondContact O-CB 3.25Å; T64-A68 PolarHBondContact O-N 3.22Å
65L86.2Confident82.7Confident7 Ų733.6 Ų33.64%0.03715%0.15CC..Hα-helixtrans-68.5-34.8179-69.2171.7000112.3T37 A61 R62 A68 A69 Y84 Q87 L88 Y91T37-L65 HydrophobicContact CG2-CD2 4.48Å; A61-L65 VanDerWaalsContact O-CG 3.32Å; A61-L65 WeakPolarHBondContact O-CG 3.45Å; A61-L65 PolarHBondContact O-N 3.24Å; R62-L65 PolarHBondContact O-N 3.09Å; R62-L65 VanDerWaalsContact O-N 3.12Å; L65-A68 WeakPolarHBondContact O-CB 3.47Å; L65-A68 PolarHBondContact O-N 3.42Å; L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 3.46Å; L65-Y84 HydrophobicContact CD2-CD1 3.78Å; L65-Y84 HydrophobicContact CD2-CE1 4.34Å; L65-Q87 HydrophobicContact CD1-CB 4.12Å; L65-Q87 HydrophobicContact CD2-CB 4.48Å; L65-L88 HydrophobicContact CB-CD1 4.43Å; L65-L88 HydrophobicContact CB-CD2 3.39Å; L65-L88 HydrophobicContact CB-CG 3.73Å; L65-L88 HydrophobicContact CD1-CD2 4.41Å; L65-Y91 HydrophobicContact CD1-CD2 3.79Å; L65-Y91 HydrophobicContact CD1-CE2 3.31Å
66E88Confident83Confident5 Ų532.9 Ų32.92%0.02315%0.153CC..Hα-helixtrans-61.7-46.9174.5-72.5-178.1174.100110.3R62 S63 A68 A69 M70 L88 Y92 S102 L108R62-E66 HydrophobicContact CG-CG 4.25Å; R62-E66 IonicContact NE-OE1 2.68Å; R62-E66 WeakPolarHBondContact O-CG 3.07Å; R62-E66 PolarHBondContact O-N 3.18Å; S63-E66 PolarHBondContact O-N 3.03Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.04Å; E66-A69 PolarHBondContact O-N 2.81Å; E66-M70 HydrophobicContact CB-CE 3.98Å; E66-M70 WeakPolarHBondContact O-CE 3.44Å; E66-M70 VanDerWaalsContact O-CG 3.31Å; E66-M70 WeakPolarHBondContact O-CG 3.3Å; E66-M70 PolarHBondContact O-N 3.02Å; E66-L88 HydrophobicContact CG-CD2 3.78Å; E66-Y92 VanDerWaalsContact CD-OH 3.3Å; E66-Y92 WeakPolarHBondContact CG-OH 3.4Å; E66-Y92 WeakPolarHBondContact OE1-CE1 3.4Å; E66-Y92 PolarHBondContact OE1-OH 3.04Å; E66-S102 VanDerWaalsContact CD-OG 3.28Å; E66-S102 WeakPolarHBondContact OE1-CB 3.47Å; E66-S102 PolarHBondContact OE1-OG 3.18Å; E66-S102 VanDerWaalsContact OE1-OG 3.05Å; E66-S102 PolarHBondContact OE2-OG 3.35Å; E66-L108 HydrophobicContact CB-CD1 3.84Å; E66-L108 HydrophobicContact CG-CD1 3.66Å
67I85.4Confident83.3Confident7 Ų728.3 Ų28.34%0.03614%0.139CC..Hα-helixtrans-63.2-41.7175.5-64.3164.1000110.6L15 D16 W19 S63 T64 A69 M70 L71L15-I67 HydrophobicContact CD2-CB 4.33Å; L15-I67 HydrophobicContact CD2-CD1 3.89Å; L15-I67 HydrophobicContact CD2-CG2 4.04Å; L15-I67 HydrophobicContact CG-CD1 4.14Å; L15-I67 HydrophobicContact CG-CG2 4.2Å; D16-I67 VanDerWaalsContact OD1-CD1 3.31Å; D16-I67 WeakPolarHBondContact OD1-CD1 3.32Å; W19-I67 HydrophobicContact CG-CG2 4.28Å; S63-I67 WeakPolarHBondContact O-CD1 3.18Å; S63-I67 VanDerWaalsContact O-CG1 3.28Å; S63-I67 WeakPolarHBondContact O-CG1 3.46Å; S63-I67 PolarHBondContact O-N 3.47Å; S63-I67 VanDerWaalsContact O-N 3.09Å; T64-I67 PolarHBondContact O-N 3.49Å; I67-A69 PolarHBondContact O-N 3.32Å; I67-M70 PolarHBondContact O-N 2.9Å; I67-L71 HydrophobicContact CG2-CD1 3.82Å; I67-L71 HydrophobicContact CG2-CG 4.26Å; I67-L71 VanDerWaalsContact O-CG 3.29Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.11Å
68A85.7Confident83.7Confident0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-58.8-48.3177.100000112V33 T64 L65 E66 M70 L71 C72 Y84V33-A68 HydrophobicContact CG1-CB 3.62Å; V33-A68 HydrophobicContact CG2-CB 4.38Å; T64-A68 WeakPolarHBondContact O-CB 3.25Å; T64-A68 PolarHBondContact O-N 3.22Å; L65-A68 WeakPolarHBondContact O-CB 3.47Å; L65-A68 PolarHBondContact O-N 3.42Å; E66-A68 VanDerWaalsContact C-N 3.34Å; E66-A68 PolarHBondContact O-N 3.04Å; A68-M70 VanDerWaalsContact C-N 3.32Å; A68-M70 PolarHBondContact O-N 2.83Å; A68-L71 PolarHBondContact O-N 2.99Å; A68-C72 PolarHBondContact O-N 3.42Å; A68-C72 PolarHBondContact O-SG 3.49Å; A68-C72 VanDerWaalsContact O-SG 3.33Å; A68-Y84 HydrophobicContact CB-CD1 3.97Å; A68-Y84 HydrophobicContact CB-CD2 4.12Å; A68-Y84 HydrophobicContact CB-CE1 4.07Å; A68-Y84 HydrophobicContact CB-CE2 4.23Å; A68-Y84 HydrophobicContact CB-CG 3.99Å
69A86.3Confident84.1Confident0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-61.5-40.8177.400000111.7L65 E66 I67 C72 S73 F81 L88 L108L65-A69 WeakPolarHBondContact O-CB 3.48Å; L65-A69 PolarHBondContact O-N 3.46Å; E66-A69 PolarHBondContact O-N 2.81Å; I67-A69 PolarHBondContact O-N 3.32Å; A69-C72 PolarHBondContact O-N 3.31Å; A69-S73 PolarHBondContact O-N 3.49Å; A69-F81 HydrophobicContact CB-CD2 4.37Å; A69-F81 HydrophobicContact CB-CE2 4.24Å; A69-L88 HydrophobicContact CB-CD1 3.79Å; A69-L108 HydrophobicContact CB-CD2 4.05Å
70M85.4Confident84.3Confident5 Ų531 Ų313%0.02516%0.163CC..Hα-helixtrans-63-44.3175.4-70.6-176-11800112.3W19 E66 I67 A68 S73 E74 Y104 L108 R172W19-M70 HydrophobicContact CH2-SD 4.11Å; W19-M70 HydrophobicContact CZ2-SD 3.56Å; W19-M70 VanDerWaalsContact CZ2-SD 3.56Å; E66-M70 HydrophobicContact CB-CE 3.98Å; E66-M70 WeakPolarHBondContact O-CE 3.44Å; E66-M70 VanDerWaalsContact O-CG 3.31Å; E66-M70 WeakPolarHBondContact O-CG 3.3Å; E66-M70 PolarHBondContact O-N 3.02Å; I67-M70 PolarHBondContact O-N 2.9Å; A68-M70 VanDerWaalsContact C-N 3.32Å; A68-M70 PolarHBondContact O-N 2.83Å; M70-S73 WeakPolarHBondContact O-CB 3.27Å; M70-S73 PolarHBondContact O-N 3.17Å; M70-E74 PolarHBondContact O-N 2.93Å; M70-E74 VanDerWaalsContact O-N 3.14Å; M70-Y104 HydrophobicContact CE-CD1 4.19Å; M70-Y104 HydrophobicContact CE-CD2 3.97Å; M70-Y104 HydrophobicContact CE-CE2 4.46Å; M70-Y104 HydrophobicContact CE-CG 3.82Å; M70-L108 HydrophobicContact CG-CD2 4.03Å; M70-R172 VanDerWaalsContact SD-CZ 3.5Å; M70-R172 PolarHBondContact SD-NH1 2.9Å; M70-R172 VanDerWaalsContact SD-NH1 3.36Å; M70-R172 PolarHBondContact SD-NH2 3.48Å; M70-R172 VanDerWaalsContact SD-NH2 3.37Å
71L83.6Confident84.6Confident0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-65.8-39177.7-70.6168.3000112.1V26 C29 L30 V33 I67 A68 S73 E74 K75V26-L71 HydrophobicContact CG1-CD2 4.48Å; C29-L71 HydrophobicContact CB-CD1 3.51Å; C29-L71 HydrophobicContact CB-CD2 4.1Å; C29-L71 HydrophobicContact CB-CG 4.47Å; L30-L71 HydrophobicContact CD2-CB 4.25Å; V33-L71 HydrophobicContact CG2-CD1 4.36Å; I67-L71 HydrophobicContact CG2-CD1 3.82Å; I67-L71 HydrophobicContact CG2-CG 4.26Å; I67-L71 VanDerWaalsContact O-CG 3.29Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.11Å; A68-L71 PolarHBondContact O-N 2.99Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.34Å; L71-E74 PolarHBondContact O-N 2.82Å; L71-K75 WeakPolarHBondContact O-CB 3.4Å; L71-K75 PolarHBondContact O-N 2.91Å
72C83.5Confident84.9Confident1 Ų134 Ų341%0.00718%0.175CC..Hα-helixtrans-63.7-38175.1-72.90000112.1A68 A69 E74 K75 Q76 D77 A80 F81 Y84A68-C72 PolarHBondContact O-N 3.42Å; A68-C72 PolarHBondContact O-SG 3.49Å; A68-C72 VanDerWaalsContact O-SG 3.33Å; A69-C72 PolarHBondContact O-N 3.31Å; C72-E74 VanDerWaalsContact C-N 3.31Å; C72-E74 PolarHBondContact O-N 3.41Å; C72-K75 PolarHBondContact O-N 3.08Å; C72-Q76 PolarHBondContact O-N 3.34Å; C72-D77 PolarHBondContact O-N 2.95Å; C72-D77 VanDerWaalsContact O-N 3.1Å; C72-A80 HydrophobicContact CB-CB 4.42Å; C72-F81 HydrophobicContact CB-CB 4.16Å; C72-Y84 VanDerWaalsContact SG-CD2 3.53Å; C72-Y84 VanDerWaalsContact SG-CE2 3.54Å
73S82.8Confident85.1Confident6 Ų638.1 Ų38.14%0.04220%0.195CC..Hα-helixtrans-63.2-37.5173.5-1740000112.1A69 M70 L71 Q76A69-S73 PolarHBondContact O-N 3.49Å; M70-S73 WeakPolarHBondContact O-CB 3.27Å; M70-S73 PolarHBondContact O-N 3.17Å; L71-S73 VanDerWaalsContact C-N 3.32Å; L71-S73 PolarHBondContact O-N 3.34Å; S73-Q76 PolarHBondContact O-N 3.42Å
74E82.5Confident85.3Confident122 Ų12238.1 Ų38.157%0.5719%0.191SC*.Hα-helixtrans-72.2-37.3176.9-171.9169.9-171.400112V26 M70 L71 C72 Q76V26-E74 HydrophobicContact CG2-CG 4.49Å; M70-E74 PolarHBondContact O-N 2.93Å; M70-E74 VanDerWaalsContact O-N 3.14Å; L71-E74 PolarHBondContact O-N 2.82Å; C72-E74 VanDerWaalsContact C-N 3.31Å; C72-E74 PolarHBondContact O-N 3.41Å; E74-Q76 PolarHBondContact O-N 3.37Å
75K81.8Confident85.5Confident101 Ų10138.1 Ų38.144%0.43919%0.191SC..Hα-helixtrans-72.9-10.8174.5-162.5177.8172.4-168.10113.6V26 L30 L71 C72 D77V26-K75 HydrophobicContact CG1-CB 4.02Å; V26-K75 HydrophobicContact CG1-CD 4.43Å; V26-K75 HydrophobicContact CG1-CG 4.42Å; L30-K75 HydrophobicContact CD1-CD 3.6Å; L71-K75 WeakPolarHBondContact O-CB 3.4Å; L71-K75 PolarHBondContact O-N 2.91Å; C72-K75 PolarHBondContact O-N 3.08Å; K75-D77 PolarHBondContact O-N 2.92Å
76Q80.3Confident85.6Confident117 Ų11740.7 Ų40.755%0.54721%0.21SC..THydrogen-bonded Turntrans62.329.8-175.1-55.7179.2-11.500113.4C72 S73 E74 I78 F175C72-Q76 PolarHBondContact O-N 3.34Å; S73-Q76 PolarHBondContact O-N 3.42Å; E74-Q76 PolarHBondContact O-N 3.37Å; Q76-I78 PolarHBondContact O-N 3.09Å; Q76-F175 HydrophobicContact CB-CD1 4.49Å; Q76-F175 HydrophobicContact CB-CD2 4.45Å; Q76-F175 HydrophobicContact CB-CE1 3.88Å; Q76-F175 HydrophobicContact CB-CE2 3.84Å; Q76-F175 HydrophobicContact CB-CZ 3.51Å; Q76-F175 VanDerWaalsContact CD-CD2 3.41Å; Q76-F175 HydrophobicContact CG-CD1 4.18Å; Q76-F175 HydrophobicContact CG-CD2 3.67Å; Q76-F175 HydrophobicContact CG-CE1 4.02Å; Q76-F175 HydrophobicContact CG-CE2 3.49Å; Q76-F175 VanDerWaalsContact CG-CE2 3.49Å; Q76-F175 HydrophobicContact CG-CG 4Å; Q76-F175 HydrophobicContact CG-CZ 3.66Å
77D82.8Confident85.6Confident54 Ų5443.6 Ų43.629%0.28922%0.223SC..  trans-90.694.4178.4-167.7-26.8000110.5C72 K75 P79 A80 F81C72-D77 PolarHBondContact O-N 2.95Å; C72-D77 VanDerWaalsContact O-N 3.1Å; K75-D77 PolarHBondContact O-N 2.92Å; D77-P79 VanDerWaalsContact OD1-CD 3.27Å; D77-P79 WeakPolarHBondContact OD1-CD 3.3Å; D77-A80 HydrophobicContact CB-CB 3.98Å; D77-A80 WeakPolarHBondContact OD1-CB 3.42Å; D77-A80 PolarHBondContact OD1-N 3.35Å; D77-A80 VanDerWaalsContact OD1-N 3.07Å; D77-F81 WeakPolarHBondContact O-CB 3.49Å; D77-F81 PolarHBondContact O-N 3.3Å
78I84.3Confident85.7Confident59 Ų5943.3 Ų43.330%0.30322%0.222SC..Hα-helixtrans-59.7-52.6-177.8-68.2170.4000111.7Q76 A80 F81 E82 F115 Q119Q76-I78 PolarHBondContact O-N 3.09Å; I78-A80 PolarHBondContact O-N 2.9Å; I78-F81 PolarHBondContact O-N 3.43Å; I78-E82 PolarHBondContact O-N 3.11Å; I78-E82 VanDerWaalsContact O-N 3.15Å; I78-F115 HydrophobicContact CB-CE2 4.21Å; I78-F115 HydrophobicContact CG2-CE2 3.45Å; I78-F115 VanDerWaalsContact CG2-CE2 3.45Å; I78-F115 HydrophobicContact CG2-CZ 3.93Å; I78-Q119 VanDerWaalsContact CG2-NE2 3.28Å
79P88Confident85.7Confident91 Ų9145 Ų4559%0.59123%0.229SC*.Hα-helixtrans-60.9-43.2178.4-24.432.2000114D77 F81 E82 H83D77-P79 VanDerWaalsContact OD1-CD 3.27Å; D77-P79 WeakPolarHBondContact OD1-CD 3.3Å; P79-F81 VanDerWaalsContact C-N 3.32Å; P79-F81 PolarHBondContact O-N 2.91Å; P79-E82 PolarHBondContact O-N 3.02Å; P79-H83 PolarHBondContact O-N 3.33Å; P79-H83 VanDerWaalsContact O-N 3.09Å
80A86Confident85.5Confident22 Ų2247.9 Ų47.918%0.18225%0.248CC..Hα-helixtrans-66.1-38.9-179.500000111.4C72 D77 I78 H83 Y84C72-A80 HydrophobicContact CB-CB 4.42Å; D77-A80 HydrophobicContact CB-CB 3.98Å; D77-A80 WeakPolarHBondContact OD1-CB 3.42Å; D77-A80 PolarHBondContact OD1-N 3.35Å; D77-A80 VanDerWaalsContact OD1-N 3.07Å; I78-A80 PolarHBondContact O-N 2.9Å; A80-H83 PolarHBondContact O-N 2.71Å; A80-Y84 HydrophobicContact CB-CE2 4.41Å; A80-Y84 WeakPolarHBondContact O-CD2 3.45Å; A80-Y84 PolarHBondContact O-N 3.48Å
81F88.5Confident85.3Confident1 Ų149.4 Ų49.40%0.00425%0.254CS..Hα-helixtrans-60.1-47.8175.6179.1-102000112A69 C72 D77 I78 P79 H83 Y84 M85 L111 F115 F176A69-F81 HydrophobicContact CB-CD2 4.37Å; A69-F81 HydrophobicContact CB-CE2 4.24Å; C72-F81 HydrophobicContact CB-CB 4.16Å; D77-F81 WeakPolarHBondContact O-CB 3.49Å; D77-F81 PolarHBondContact O-N 3.3Å; I78-F81 PolarHBondContact O-N 3.43Å; P79-F81 VanDerWaalsContact C-N 3.32Å; P79-F81 PolarHBondContact O-N 2.91Å; F81-H83 VanDerWaalsContact C-N 3.29Å; F81-H83 PolarHBondContact O-N 3.49Å; F81-Y84 PolarHBondContact O-N 3Å; F81-M85 VanDerWaalsContact O-CB 3.23Å; F81-M85 WeakPolarHBondContact O-CB 3.5Å; F81-M85 PolarHBondContact O-N 3.19Å; F81-L111 HydrophobicContact CE2-CD2 3.62Å; F81-L111 HydrophobicContact CE2-CG 4.24Å; F81-L111 HydrophobicContact CZ-CB 4.3Å; F81-L111 HydrophobicContact CZ-CD2 3.76Å; F81-L111 HydrophobicContact CZ-CG 3.85Å; F81-F115 HydrophobicContact CD1-CB 4.42Å; F81-F115 AromaticContact CD1-CD2 3.84Å; F81-F115 HydrophobicContact CD1-CD2 3.84Å; F81-F115 HydrophobicContact CD1-CE2 4.09Å; F81-F115 HydrophobicContact CD1-CG 4.08Å; F81-F115 HydrophobicContact CE1-CB 3.93Å; F81-F115 HydrophobicContact CE1-CD2 4.21Å; F81-F115 HydrophobicContact CE1-CG 4.03Å; F81-F176 HydrophobicContact CD1-CZ 4.31Å
82E89Confident85.2Confident75 Ų7549.7 Ų49.735%0.3526%0.255SS..Hα-helixtrans-59.5-41.5177.4-173.9173.6-159.800111.6I78 P79 M85 S86 F115 R121I78-E82 PolarHBondContact O-N 3.11Å; I78-E82 VanDerWaalsContact O-N 3.15Å; P79-E82 PolarHBondContact O-N 3.02Å; E82-M85 PolarHBondContact O-N 2.84Å; E82-S86 WeakPolarHBondContact O-CB 3.37Å; E82-S86 PolarHBondContact O-N 3.29Å; E82-F115 HydrophobicContact CB-CE1 4.25Å; E82-F115 HydrophobicContact CB-CZ 3.9Å; E82-F115 HydrophobicContact CG-CE1 4.35Å; E82-F115 HydrophobicContact CG-CZ 4.41Å; E82-R121 IonicContact OE1-CZ 3.04Å; E82-R121 IonicContact OE1-NH1 3.65Å; E82-R121 PolarHBondContact OE1-NH1 3.32Å
83H88.9Confident84.9Confident101 Ų10152.6 Ų52.647%0.46827%0.267SS..Hα-helixtrans-60.7-55177.6-17768000112.2P79 A80 F81 M85 S86 Q87P79-H83 PolarHBondContact O-N 3.33Å; P79-H83 VanDerWaalsContact O-N 3.09Å; A80-H83 PolarHBondContact O-N 2.71Å; F81-H83 VanDerWaalsContact C-N 3.29Å; F81-H83 PolarHBondContact O-N 3.49Å; H83-M85 VanDerWaalsContact C-N 3.3Å; H83-M85 PolarHBondContact O-N 3.03Å; H83-S86 PolarHBondContact O-N 3.25Å; H83-S86 PolarHBondContact O-OG 3.41Å; H83-Q87 PolarHBondContact CE1-NE2 3.23Å; H83-Q87 PolarHBondContact NE2-NE2 3.41Å; H83-Q87 PolarHBondContact O-N 2.93Å
84Y88.5Confident84.6Confident26 Ų2658 Ų5810%0.10230%0.295CS..Hα-helixtrans-64.7-36.2179.9-70.1-59000112.2L65 A68 C72 A80 F81 Q87 L88L65-Y84 HydrophobicContact CD2-CD1 3.78Å; L65-Y84 HydrophobicContact CD2-CE1 4.34Å; A68-Y84 HydrophobicContact CB-CD1 3.97Å; A68-Y84 HydrophobicContact CB-CD2 4.12Å; A68-Y84 HydrophobicContact CB-CE1 4.07Å; A68-Y84 HydrophobicContact CB-CE2 4.23Å; A68-Y84 HydrophobicContact CB-CG 3.99Å; C72-Y84 VanDerWaalsContact SG-CD2 3.53Å; C72-Y84 VanDerWaalsContact SG-CE2 3.54Å; A80-Y84 HydrophobicContact CB-CE2 4.41Å; A80-Y84 WeakPolarHBondContact O-CD2 3.45Å; A80-Y84 PolarHBondContact O-N 3.48Å; F81-Y84 PolarHBondContact O-N 3Å; Y84-Q87 PolarHBondContact O-N 2.85Å; Y84-L88 WeakPolarHBondContact O-CG 3.4Å; Y84-L88 PolarHBondContact O-N 3.29Å
85M88.6Confident84Confident0 Ų054.7 Ų54.70%028%0.278CS..Hα-helixtrans-65.9-39.3177-165.964.4-167.600111.8F81 E82 H83 Q87 L88 K89 L108 L109 N112F81-M85 VanDerWaalsContact O-CB 3.23Å; F81-M85 WeakPolarHBondContact O-CB 3.5Å; F81-M85 PolarHBondContact O-N 3.19Å; E82-M85 PolarHBondContact O-N 2.84Å; H83-M85 VanDerWaalsContact C-N 3.3Å; H83-M85 PolarHBondContact O-N 3.03Å; M85-Q87 VanDerWaalsContact C-N 3.27Å; M85-Q87 PolarHBondContact O-N 3.43Å; M85-L88 PolarHBondContact O-N 3.09Å; M85-L88 HydrophobicContact SD-CB 4.48Å; M85-L88 HydrophobicContact SD-CD1 4.21Å; M85-K89 WeakPolarHBondContact O-CG 3.37Å; M85-K89 PolarHBondContact O-N 3.22Å; M85-L108 HydrophobicContact CE-CB 4.34Å; M85-L108 WeakPolarHBondContact CE-O 3.32Å; M85-L108 HydrophobicContact SD-CB 4.38Å; M85-L109 HydrophobicContact CE-CD2 3.86Å; M85-L109 HydrophobicContact CE-CG 4.36Å; M85-N112 HydrophobicContact CE-CB 3.68Å; M85-N112 HydrophobicContact CG-CB 3.82Å; M85-N112 WeakPolarHBondContact CG-OD1 3.22Å; M85-N112 HydrophobicContact SD-CB 4.14Å
86S88.2Confident83.2Confident61 Ų6155.2 Ų55.243%0.42728%0.28SS..Hα-helixtrans-60.2-38.1175.675.50000112.3E82 H83E82-S86 WeakPolarHBondContact O-CB 3.37Å; E82-S86 PolarHBondContact O-N 3.29Å; H83-S86 PolarHBondContact O-N 3.25Å; H83-S86 PolarHBondContact O-OG 3.41Å
87Q87.7Confident82.5Confident67 Ų6753.2 Ų53.231%0.31329%0.291SS..Hα-helixtrans-70.5-42.2175.9-66.9174.3-2000111.6L65 H83 Y84 M85 K89 C90 Y91L65-Q87 HydrophobicContact CD1-CB 4.12Å; L65-Q87 HydrophobicContact CD2-CB 4.48Å; H83-Q87 PolarHBondContact CE1-NE2 3.23Å; H83-Q87 PolarHBondContact NE2-NE2 3.41Å; H83-Q87 PolarHBondContact O-N 2.93Å; Y84-Q87 PolarHBondContact O-N 2.85Å; M85-Q87 VanDerWaalsContact C-N 3.27Å; M85-Q87 PolarHBondContact O-N 3.43Å; Q87-K89 VanDerWaalsContact C-N 3.28Å; Q87-K89 PolarHBondContact O-N 3.05Å; Q87-C90 PolarHBondContact O-N 3.1Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.24Å
88L86.5Confident81.5Confident0 Ų054 Ų540%030%0.295CS..Hα-helixtrans-59.8-36.7177.1-80.4171.1000113R62 L65 E66 A69 Y84 M85 C90 Y91 Y92 L108R62-L88 HydrophobicContact CG-CD2 4.4Å; L65-L88 HydrophobicContact CB-CD1 4.43Å; L65-L88 HydrophobicContact CB-CD2 3.39Å; L65-L88 HydrophobicContact CB-CG 3.73Å; L65-L88 HydrophobicContact CD1-CD2 4.41Å; E66-L88 HydrophobicContact CG-CD2 3.78Å; A69-L88 HydrophobicContact CB-CD1 3.79Å; Y84-L88 WeakPolarHBondContact O-CG 3.4Å; Y84-L88 PolarHBondContact O-N 3.29Å; M85-L88 PolarHBondContact O-N 3.09Å; M85-L88 HydrophobicContact SD-CB 4.48Å; M85-L88 HydrophobicContact SD-CD1 4.21Å; L88-C90 VanDerWaalsContact C-N 3.28Å; L88-C90 PolarHBondContact O-N 2.96Å; L88-Y91 WeakPolarHBondContact O-CA 3.37Å; L88-Y91 WeakPolarHBondContact O-CB 3.46Å; L88-Y91 PolarHBondContact O-N 3.49Å; L88-Y92 HydrophobicContact CB-CE2 4.14Å; L88-Y92 PolarHBondContact O-N 3.27Å; L88-Y92 VanDerWaalsContact O-N 3.09Å; L88-L108 HydrophobicContact CD1-CD1 4.14Å
89K85.9Confident80.6Confident37 Ų3751.8 Ų51.816%0.16128%0.284CS..Hα-helixtrans-57.2-40.1178.7-73.7175.1-171.1-1730112.2M85 Q87 Y91 Y92 Y93 N112 E128M85-K89 WeakPolarHBondContact O-CG 3.37Å; M85-K89 PolarHBondContact O-N 3.22Å; Q87-K89 VanDerWaalsContact C-N 3.28Å; Q87-K89 PolarHBondContact O-N 3.05Å; K89-Y91 VanDerWaalsContact C-N 3.27Å; K89-Y91 PolarHBondContact O-N 2.94Å; K89-Y92 PolarHBondContact O-N 3.09Å; K89-Y92 VanDerWaalsContact O-N 3.15Å; K89-Y93 HydrophobicContact CB-CD2 4.14Å; K89-Y93 HydrophobicContact CB-CE2 4.16Å; K89-Y93 HydrophobicContact CG-CE2 4.18Å; K89-Y93 WeakPolarHBondContact O-CD2 3.17Å; K89-Y93 PolarHBondContact O-N 3.46Å; K89-N112 PolarHBondContact NZ-ND2 3.25Å; K89-E128 VanDerWaalsContact CE-OE2 3.27Å; K89-E128 WeakPolarHBondContact CE-OE2 3.49Å; K89-E128 IonicContact NZ-OE2 2.83Å; K89-E128 PolarHBondContact NZ-OE2 3.45Å
90C83Confident79.9Confident59 Ų5950.6 Ų50.640%0.39928%0.276SS..Hα-helixtrans-59.2-40175.6-55.50000111.4Q87 L88 Y92 D94 Y95Q87-C90 PolarHBondContact O-N 3.1Å; L88-C90 VanDerWaalsContact C-N 3.28Å; L88-C90 PolarHBondContact O-N 2.96Å; C90-Y92 PolarHBondContact O-N 3.46Å; C90-D94 VanDerWaalsContact O-CB 3.28Å; C90-D94 WeakPolarHBondContact O-CB 3.35Å; C90-D94 PolarHBondContact O-N 3.28Å; C90-Y95 WeakPolarHBondContact O-CD2 3.34Å
91Y80.7Confident79.3Confident38 Ų3853.9 Ų53.915%0.14929%0.291CS..Hα-helixtrans-70.6-28.3177.6-64.4-80.1000114L58 A61 R62 L65 Q87 L88 K89 Y95L58-Y91 HydrophobicContact CD2-CD1 4.38Å; L58-Y91 HydrophobicContact CD2-CE1 3.83Å; A61-Y91 HydrophobicContact CB-CE1 4.14Å; R62-Y91 HydrophobicContact CB-CG 4.48Å; L65-Y91 HydrophobicContact CD1-CD2 3.79Å; L65-Y91 HydrophobicContact CD1-CE2 3.31Å; Q87-Y91 WeakPolarHBondContact O-CD2 3.24Å; L88-Y91 WeakPolarHBondContact O-CA 3.37Å; L88-Y91 WeakPolarHBondContact O-CB 3.46Å; L88-Y91 PolarHBondContact O-N 3.49Å; K89-Y91 VanDerWaalsContact C-N 3.27Å; K89-Y91 PolarHBondContact O-N 2.94Å; Y91-Y95 HydrophobicContact CD1-CD2 4.21Å
92Y81.1Confident78.7Confident6 Ų654.2 Ų54.22%0.02429%0.293CS..Hα-helixtrans-83.7-36.7179.8-67.2-35.7000114.2R62 E66 L88 K89 C90 K105R62-Y92 HydrophobicContact CG-CE1 4.39Å; E66-Y92 VanDerWaalsContact CD-OH 3.3Å; E66-Y92 WeakPolarHBondContact CG-OH 3.4Å; E66-Y92 WeakPolarHBondContact OE1-CE1 3.4Å; E66-Y92 PolarHBondContact OE1-OH 3.04Å; L88-Y92 HydrophobicContact CB-CE2 4.14Å; L88-Y92 PolarHBondContact O-N 3.27Å; L88-Y92 VanDerWaalsContact O-N 3.09Å; K89-Y92 PolarHBondContact O-N 3.09Å; K89-Y92 VanDerWaalsContact O-N 3.15Å; C90-Y92 PolarHBondContact O-N 3.46Å; Y92-K105 HydrophobicContact CD1-CB 4.36Å; Y92-K105 HydrophobicContact CD1-CD 3.87Å; Y92-K105 HydrophobicContact CD1-CG 3.85Å; Y92-K105 HydrophobicContact CD2-CG 4.34Å; Y92-K105 HydrophobicContact CE1-CB 3.87Å; Y92-K105 HydrophobicContact CE1-CD 4.22Å; Y92-K105 HydrophobicContact CE1-CG 3.83Å; Y92-K105 HydrophobicContact CE2-CG 4.31Å; Y92-K105 HydrophobicContact CG-CD 4.29Å; Y92-K105 HydrophobicContact CG-CG 4.12Å
93Y78.7Confident78.1Confident62 Ų6255.8 Ų55.824%0.24331%0.31CS..Hα-helixtrans-96.2-52.2-176.1-61.6-64.5000112.1K89 Y95 E128 R131K89-Y93 HydrophobicContact CB-CD2 4.14Å; K89-Y93 HydrophobicContact CB-CE2 4.16Å; K89-Y93 HydrophobicContact CG-CE2 4.18Å; K89-Y93 WeakPolarHBondContact O-CD2 3.17Å; K89-Y93 PolarHBondContact O-N 3.46Å; Y93-Y95 PolarHBondContact O-N 3.48Å; Y93-E128 PolarHBondContact OH-OE1 3.16Å; Y93-R131 HydrophobicContact CE1-CB 3.97Å
94D76.4Confident77.8Confident119 Ų11955 Ų5564%0.63630%0.303SS*.THydrogen-bonded Turntrans-74.9-31.8-171-54-32.8000112.1C90C90-D94 VanDerWaalsContact O-CB 3.28Å; C90-D94 WeakPolarHBondContact O-CB 3.35Å; C90-D94 PolarHBondContact O-N 3.28Å
95Y70Confident77.6Confident52 Ų5254 Ų5420%0.20430%0.3CS..THydrogen-bonded Turntrans-104.416.5-176-63.1-78.6000114.5P47 L58 C90 Y91 Y93 G97 N98 L99P47-Y95 HydrophobicContact CG-CE1 4.11Å; L58-Y95 HydrophobicContact CD1-CD1 4.08Å; L58-Y95 HydrophobicContact CD1-CE1 4.23Å; L58-Y95 HydrophobicContact CD2-CE1 4.42Å; C90-Y95 WeakPolarHBondContact O-CD2 3.34Å; Y91-Y95 HydrophobicContact CD1-CD2 4.21Å; Y93-Y95 PolarHBondContact O-N 3.48Å; Y95-G97 PolarHBondContact O-N 3.03Å; Y95-G97 VanDerWaalsContact O-N 3.09Å; Y95-N98 PolarHBondContact O-N 3.23Å; Y95-L99 PolarHBondContact O-N 3.28Å
96K64.7Low77.5Confident112 Ų11256.9 Ų56.949%0.48731%0.311SS..THydrogen-bonded Turntrans-55.7-28.7-179.9-168173-178.7172.30112.8E136K96-E136 IonicContact NZ-OE1 3.84Å; K96-E136 PolarHBondContact NZ-OE1 3.39Å
97G64.6Low77.5Confident76 Ų7654.8 Ų54.878%0.78430%0.295SS*.THydrogen-bonded Turntrans-73.3-24.1176.600000115Y95Y95-G97 PolarHBondContact O-N 3.03Å; Y95-G97 VanDerWaalsContact O-N 3.09Å
98N61.9Low77.5Confident71 Ų7151.7 Ų51.738%0.3828%0.28SS..THydrogen-bonded Turntrans-106.3-22.1-170.5-64.278.8000113.3R55 Y95R55-N98 VanDerWaalsContact CZ-O 3.24Å; R55-N98 PolarHBondContact NE-O 2.94Å; R55-N98 PolarHBondContact NH2-O 3.47Å; R55-N98 VanDerWaalsContact NH2-O 3.16Å; Y95-N98 PolarHBondContact O-N 3.23Å
99L65Low77.7Confident11 Ų1151.8 Ų51.86%0.05828%0.281CS..SBendtrans-118.4141.5-172.9-65.1172.6000111.9R55 L58 L59 Y95R55-L99 HydrophobicContact CG-CD2 4.26Å; L58-L99 HydrophobicContact CB-CD1 4.18Å; L58-L99 HydrophobicContact CB-CD2 4.04Å; L59-L99 HydrophobicContact CB-CD2 4.17Å; Y95-L99 PolarHBondContact O-N 3.28Å
100P74.2Confident77.8Confident67 Ų6750 Ų5044%0.43527%0.273SS..PPolyproline II helixtrans-66.4145.9169.729.6-33.7000110.2R62 S102R62-P100 VanDerWaalsContact CZ-O 3.3Å; R62-P100 PolarHBondContact NH1-O 3.4Å; R62-P100 PolarHBondContact NH2-O 3.41Å; P100-S102 PolarHBondContact O-N 3.31Å
101D73.5Confident78.2Confident90 Ų9047.4 Ų47.448%0.48126%0.255SS..PPolyproline II helixtrans-57.9133.5175.4-77.8-50.1000111K105D101-K105 IonicContact OD1-NZ 3.6Å; D101-K105 PolarHBondContact OD1-NZ 3.45Å
102S75.1Confident78.6Confident8 Ų845.8 Ų45.86%0.05625%0.249CC..PPolyproline II helixtrans-79.7140.6175.9179.20000109.8E66 P100 Y104 K105E66-S102 VanDerWaalsContact CD-OG 3.28Å; E66-S102 WeakPolarHBondContact OE1-CB 3.47Å; E66-S102 PolarHBondContact OE1-OG 3.18Å; E66-S102 VanDerWaalsContact OE1-OG 3.05Å; E66-S102 PolarHBondContact OE2-OG 3.35Å; P100-S102 PolarHBondContact O-N 3.31Å; S102-Y104 PolarHBondContact O-N 3.14Å; S102-Y104 PolarHBondContact OG-N 3.36Å; S102-K105 VanDerWaalsContact O-CB 3.25Å; S102-K105 WeakPolarHBondContact O-CB 3.47Å; S102-K105 PolarHBondContact O-N 3.05Å; S102-K105 VanDerWaalsContact O-N 3.17Å
103P76.7Confident79.1Confident109 Ų10945.6 Ų45.671%0.70825%0.248SC*.THydrogen-bonded Turntrans-59.7-28.8173.425.8-35.1000112.6
104Y82Confident79.6Confident83 Ų8342.6 Ų42.633%0.32524%0.237SC..THydrogen-bonded Turntrans-86.3-6.8-178.9-57.9-64.9000114M70 S102 Y106 E107 L108M70-Y104 HydrophobicContact CE-CD1 4.19Å; M70-Y104 HydrophobicContact CE-CD2 3.97Å; M70-Y104 HydrophobicContact CE-CE2 4.46Å; M70-Y104 HydrophobicContact CE-CG 3.82Å; S102-Y104 PolarHBondContact O-N 3.14Å; S102-Y104 PolarHBondContact OG-N 3.36Å; Y104-Y106 PolarHBondContact O-N 2.96Å; Y104-E107 PolarHBondContact O-N 3.35Å; Y104-L108 PolarHBondContact O-N 3.37Å
105K85.6Confident80.2Confident6 Ų637 Ų373%0.02621%0.206CC..Hα-helixtrans-54-51.1-176.4173.3175.7165.5-1780111.8Y92 D101 S102 L108 L109Y92-K105 HydrophobicContact CD1-CB 4.36Å; Y92-K105 HydrophobicContact CD1-CD 3.87Å; Y92-K105 HydrophobicContact CD1-CG 3.85Å; Y92-K105 HydrophobicContact CD2-CG 4.34Å; Y92-K105 HydrophobicContact CE1-CB 3.87Å; Y92-K105 HydrophobicContact CE1-CD 4.22Å; Y92-K105 HydrophobicContact CE1-CG 3.83Å; Y92-K105 HydrophobicContact CE2-CG 4.31Å; Y92-K105 HydrophobicContact CG-CD 4.29Å; Y92-K105 HydrophobicContact CG-CG 4.12Å; D101-K105 IonicContact OD1-NZ 3.6Å; D101-K105 PolarHBondContact OD1-NZ 3.45Å; S102-K105 VanDerWaalsContact O-CB 3.25Å; S102-K105 WeakPolarHBondContact O-CB 3.47Å; S102-K105 PolarHBondContact O-N 3.05Å; S102-K105 VanDerWaalsContact O-N 3.17Å; K105-L108 PolarHBondContact O-N 3.38Å; K105-L109 HydrophobicContact CG-CD1 3.88Å; K105-L109 WeakPolarHBondContact O-CB 3.14Å; K105-L109 VanDerWaalsContact O-CG 3.24Å; K105-L109 WeakPolarHBondContact O-CG 3.47Å; K105-L109 PolarHBondContact O-N 3.12Å
106Y86.5Confident81.2Confident60 Ų6034.9 Ų34.924%0.23520%0.198CC..Hα-helixtrans-73.6-29.3-176.6-59.6-67.6000113.4Y104 G110 E136 S140 I143Y104-Y106 PolarHBondContact O-N 2.96Å; Y106-G110 PolarHBondContact O-N 3.24Å; Y106-E136 HydrophobicContact CE1-CB 4.07Å; Y106-E136 HydrophobicContact CE1-CG 3.98Å; Y106-S140 WeakPolarHBondContact CB-OG 3.4Å; Y106-I143 HydrophobicContact CD1-CD1 3.71Å; Y106-I143 HydrophobicContact CG-CD1 4.46Å
107E87.3Confident82.4Confident18 Ų1829.7 Ų29.78%0.08418%0.176CC..Hα-helixtrans-66.8-46.9173.4-169.3-175.617700110.5Y104 G110 L111 Y142 S170 R172 Y173Y104-E107 PolarHBondContact O-N 3.35Å; E107-G110 PolarHBondContact O-N 3.27Å; E107-L111 WeakPolarHBondContact O-CB 3.08Å; E107-L111 PolarHBondContact O-N 3.36Å; E107-Y142 HydrophobicContact CB-CD1 4.31Å; E107-Y142 HydrophobicContact CB-CG 4.3Å; E107-Y142 HydrophobicContact CG-CD1 4.03Å; E107-Y142 HydrophobicContact CG-CE1 4.17Å; E107-S170 WeakPolarHBondContact OE1-CB 3.23Å; E107-S170 PolarHBondContact OE1-OG 3.05Å; E107-R172 IonicContact OE1-CZ 3.8Å; E107-R172 IonicContact OE1-NH1 3.97Å; E107-R172 PolarHBondContact OE1-NH1 3.03Å; E107-R172 IonicContact OE2-NH1 3.69Å; E107-R172 PolarHBondContact OE2-NH1 3.32Å; E107-Y173 HydrophobicContact CG-CE2 3.96Å; E107-Y173 PolarHBondContact O-OH 3.1Å
108L88.8Confident83.5Confident2 Ų226.6 Ų26.61%0.0114%0.143CC..Hα-helixtrans-67.8-37.5178.8-70.7171.8000112.7E66 A69 M70 M85 L88 Y104 K105 L111 N112E66-L108 HydrophobicContact CB-CD1 3.84Å; E66-L108 HydrophobicContact CG-CD1 3.66Å; A69-L108 HydrophobicContact CB-CD2 4.05Å; M70-L108 HydrophobicContact CG-CD2 4.03Å; M85-L108 HydrophobicContact CE-CB 4.34Å; M85-L108 WeakPolarHBondContact CE-O 3.32Å; M85-L108 HydrophobicContact SD-CB 4.38Å; L88-L108 HydrophobicContact CD1-CD1 4.14Å; Y104-L108 PolarHBondContact O-N 3.37Å; K105-L108 PolarHBondContact O-N 3.38Å; L108-L111 PolarHBondContact O-N 3.19Å; L108-N112 WeakPolarHBondContact O-CB 3.49Å; L108-N112 PolarHBondContact O-N 3.49Å
109L89.1Confident84.7Confident2 Ų226.5 Ų26.51%0.0114%0.14CC..Hα-helixtrans-63.4-45.4172.8-73.2168.8000111.5M85 K105 L111 N112 L113 L132 I143M85-L109 HydrophobicContact CE-CD2 3.86Å; M85-L109 HydrophobicContact CE-CG 4.36Å; K105-L109 HydrophobicContact CG-CD1 3.88Å; K105-L109 WeakPolarHBondContact O-CB 3.14Å; K105-L109 VanDerWaalsContact O-CG 3.24Å; K105-L109 WeakPolarHBondContact O-CG 3.47Å; K105-L109 PolarHBondContact O-N 3.12Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 3.44Å; L109-N112 PolarHBondContact O-N 2.76Å; L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 3.06Å; L109-L132 HydrophobicContact CD1-CD2 4.04Å; L109-I143 HydrophobicContact CB-CD1 4.33Å
110G90Very high85.7Confident0 Ų032.4 Ų32.40%016%0.161CC..Hα-helixtrans-61.3-40.1174.800000112.6Y106 E107 L113 L114 Y142Y106-G110 PolarHBondContact O-N 3.24Å; E107-G110 PolarHBondContact O-N 3.27Å; G110-L113 PolarHBondContact O-N 2.97Å; G110-L114 WeakPolarHBondContact O-CB 3.4Å; G110-L114 PolarHBondContact O-N 3.48Å; G110-Y142 WeakPolarHBondContact CA-O 3.36Å
111L89.5Confident86.4Confident3 Ų333.1 Ų33.12%0.01616%0.156CC..Hα-helixtrans-64.1-41.2175.2-168.268.2000112F81 E107 L108 L109 L114 F115 Y173 F176F81-L111 HydrophobicContact CE2-CD2 3.62Å; F81-L111 HydrophobicContact CE2-CG 4.24Å; F81-L111 HydrophobicContact CZ-CB 4.3Å; F81-L111 HydrophobicContact CZ-CD2 3.76Å; F81-L111 HydrophobicContact CZ-CG 3.85Å; E107-L111 WeakPolarHBondContact O-CB 3.08Å; E107-L111 PolarHBondContact O-N 3.36Å; L108-L111 PolarHBondContact O-N 3.19Å; L109-L111 VanDerWaalsContact C-N 3.32Å; L109-L111 PolarHBondContact O-N 3.44Å; L111-L114 PolarHBondContact O-N 3.27Å; L111-F115 WeakPolarHBondContact O-CB 3.39Å; L111-F115 PolarHBondContact O-N 3.11Å; L111-Y173 HydrophobicContact CD1-CD2 4.23Å; L111-Y173 HydrophobicContact CD1-CE2 4.43Å; L111-Y173 HydrophobicContact CD1-CG 4.3Å; L111-F176 HydrophobicContact CD1-CD2 3.53Å; L111-F176 HydrophobicContact CD1-CE2 3.7Å; L111-F176 HydrophobicContact CD2-CE2 4.33Å; L111-F176 HydrophobicContact CG-CD2 4.15Å; L111-F176 HydrophobicContact CG-CE2 3.9Å
112N90.6Very high87.1Confident5 Ų531.6 Ų31.63%0.02715%0.147CC..Hα-helixtrans-64.1-40.7174.3174.875.6000112.4M85 K89 L108 L109 L114 F115 L116M85-N112 HydrophobicContact CE-CB 3.68Å; M85-N112 HydrophobicContact CG-CB 3.82Å; M85-N112 WeakPolarHBondContact CG-OD1 3.22Å; M85-N112 HydrophobicContact SD-CB 4.14Å; K89-N112 PolarHBondContact NZ-ND2 3.25Å; L108-N112 WeakPolarHBondContact O-CB 3.49Å; L108-N112 PolarHBondContact O-N 3.49Å; L109-N112 PolarHBondContact O-N 2.76Å; N112-L114 VanDerWaalsContact C-N 3.34Å; N112-F115 WeakPolarHBondContact O-CB 3.47Å; N112-F115 PolarHBondContact O-N 3.49Å; N112-L116 WeakPolarHBondContact O-CG 3.14Å; N112-L116 PolarHBondContact O-N 3.48Å
113L91.1Very high87.9Confident1 Ų134.7 Ų34.71%0.00517%0.173CC..Hα-helixtrans-61.2-45.5174.6-73.4174.3000111.1L109 G110 F115 L116 L117 F125 E128 L129 L132 I143 P146L109-L113 WeakPolarHBondContact O-CG 3.45Å; L109-L113 PolarHBondContact O-N 3.06Å; G110-L113 PolarHBondContact O-N 2.97Å; L113-F115 VanDerWaalsContact C-N 3.34Å; L113-F115 PolarHBondContact O-N 3Å; L113-L116 PolarHBondContact O-N 3.33Å; L113-L117 WeakPolarHBondContact O-CG 3.28Å; L113-L117 PolarHBondContact O-N 2.94Å; L113-F125 HydrophobicContact CB-CD2 4.13Å; L113-F125 HydrophobicContact CB-CE2 3.78Å; L113-F125 HydrophobicContact CD2-CD2 3.71Å; L113-F125 HydrophobicContact CD2-CE2 3.79Å; L113-F125 HydrophobicContact CD2-CG 4.42Å; L113-F125 HydrophobicContact CG-CE2 4.27Å; L113-E128 HydrophobicContact CD2-CB 4.04Å; L113-E128 HydrophobicContact CD2-CG 4.13Å; L113-L129 HydrophobicContact CD1-CD2 3.84Å; L113-L129 HydrophobicContact CD2-CD2 3.96Å; L113-L129 HydrophobicContact CD2-CG 4.21Å; L113-L132 HydrophobicContact CD1-CD1 4.45Å; L113-I143 HydrophobicContact CD1-CG2 3.85Å; L113-P146 HydrophobicContact CB-CB 4.12Å; L113-P146 HydrophobicContact CB-CG 4.05Å; L113-P146 HydrophobicContact CD1-CG 4.37Å
114L89.4Confident88.6Confident0 Ų032.6 Ų32.60%016%0.156CC..Hα-helixtrans-64.3-37.9176.5-178.264000112.6G110 L111 N112 L117 S118 P146 M149 Y173 F176 I177G110-L114 WeakPolarHBondContact O-CB 3.4Å; G110-L114 PolarHBondContact O-N 3.48Å; L111-L114 PolarHBondContact O-N 3.27Å; N112-L114 VanDerWaalsContact C-N 3.34Å; L114-L117 PolarHBondContact O-N 3.27Å; L114-S118 PolarHBondContact O-N 3.44Å; L114-P146 HydrophobicContact CB-CB 4.44Å; L114-M149 HydrophobicContact CD1-SD 4.32Å; L114-Y173 HydrophobicContact CD2-CD1 3.51Å; L114-Y173 HydrophobicContact CD2-CE1 4.45Å; L114-Y173 HydrophobicContact CD2-CG 4.01Å; L114-F176 HydrophobicContact CD2-CB 3.71Å; L114-F176 HydrophobicContact CG-CB 3.69Å; L114-I177 HydrophobicContact CD1-CG1 3.91Å; L114-I177 HydrophobicContact CD2-CD1 4.28Å; L114-I177 HydrophobicContact CD2-CG1 3.6Å; L114-I177 HydrophobicContact CG-CG1 4.36Å
115F89.6Confident89Confident1 Ų128.6 Ų28.60%0.00414%0.14CC..Hα-helixtrans-57.5-47.6172.4166.9-94.2000111.5I78 F81 E82 L111 N112 L113 L117 S118 Q119 F176I78-F115 HydrophobicContact CB-CE2 4.21Å; I78-F115 HydrophobicContact CG2-CE2 3.45Å; I78-F115 VanDerWaalsContact CG2-CE2 3.45Å; I78-F115 HydrophobicContact CG2-CZ 3.93Å; F81-F115 HydrophobicContact CD1-CB 4.42Å; F81-F115 AromaticContact CD1-CD2 3.84Å; F81-F115 HydrophobicContact CD1-CD2 3.84Å; F81-F115 HydrophobicContact CD1-CE2 4.09Å; F81-F115 HydrophobicContact CD1-CG 4.08Å; F81-F115 HydrophobicContact CE1-CB 3.93Å; F81-F115 HydrophobicContact CE1-CD2 4.21Å; F81-F115 HydrophobicContact CE1-CG 4.03Å; E82-F115 HydrophobicContact CB-CE1 4.25Å; E82-F115 HydrophobicContact CB-CZ 3.9Å; E82-F115 HydrophobicContact CG-CE1 4.35Å; E82-F115 HydrophobicContact CG-CZ 4.41Å; L111-F115 WeakPolarHBondContact O-CB 3.39Å; L111-F115 PolarHBondContact O-N 3.11Å; N112-F115 WeakPolarHBondContact O-CB 3.47Å; N112-F115 PolarHBondContact O-N 3.49Å; L113-F115 VanDerWaalsContact C-N 3.34Å; L113-F115 PolarHBondContact O-N 3Å; F115-L117 VanDerWaalsContact C-N 3.34Å; F115-L117 PolarHBondContact O-N 2.95Å; F115-S118 PolarHBondContact O-N 3.22Å; F115-S118 PolarHBondContact O-OG 3.05Å; F115-Q119 PolarHBondContact O-N 2.76Å; F115-F176 HydrophobicContact CB-CD1 4.45Å; F115-F176 HydrophobicContact CB-CE1 4.39Å; F115-F176 HydrophobicContact CD2-CD1 4.23Å; F115-F176 AromaticContact CD2-CE1 3.62Å; F115-F176 HydrophobicContact CD2-CE1 3.62Å; F115-F176 HydrophobicContact CD2-CZ 4.08Å; F115-F176 HydrophobicContact CE2-CE1 4.47Å
116L90.9Very high89.3Confident7 Ų732.2 Ų32.24%0.03716%0.157CC..Hα-helixtrans-62.3-40.2177.9-67.3171.4000112.1N112 L113 Q119 R120 R121 D124 F125 E128N112-L116 WeakPolarHBondContact O-CG 3.14Å; N112-L116 PolarHBondContact O-N 3.48Å; L113-L116 PolarHBondContact O-N 3.33Å; L116-Q119 PolarHBondContact O-N 3.35Å; L116-R120 PolarHBondContact O-N 2.97Å; L116-R121 HydrophobicContact CD2-CB 4.24Å; L116-R121 PolarHBondContact O-N 3.25Å; L116-D124 HydrophobicContact CD1-CB 4.29Å; L116-D124 HydrophobicContact CD2-CB 3.95Å; L116-F125 HydrophobicContact CB-CB 4.26Å; L116-E128 HydrophobicContact CD1-CB 4.48Å
117L89.3Confident89.6Confident3 Ų332.8 Ų32.82%0.01617%0.166CC..Hα-helixtrans-62.3-43.4173.9-68.1176.7000111.9L113 L114 F115 Q119 R120 L122 F125 P146 E150 F180L113-L117 WeakPolarHBondContact O-CG 3.28Å; L113-L117 PolarHBondContact O-N 2.94Å; L114-L117 PolarHBondContact O-N 3.27Å; F115-L117 VanDerWaalsContact C-N 3.34Å; F115-L117 PolarHBondContact O-N 2.95Å; L117-Q119 PolarHBondContact O-N 3.06Å; L117-R120 PolarHBondContact O-N 3.44Å; L117-L122 HydrophobicContact CD2-CD2 3.89Å; L117-F125 HydrophobicContact CD1-CD2 4.3Å; L117-F125 HydrophobicContact CD1-CE2 3.69Å; L117-F125 HydrophobicContact CD1-CZ 4.21Å; L117-F125 HydrophobicContact CD2-CD1 4.4Å; L117-F125 HydrophobicContact CD2-CD2 3.74Å; L117-F125 HydrophobicContact CD2-CE1 4.46Å; L117-F125 HydrophobicContact CD2-CE2 3.8Å; L117-F125 HydrophobicContact CD2-CG 4.04Å; L117-F125 HydrophobicContact CD2-CZ 4.19Å; L117-F125 HydrophobicContact CG-CD2 3.7Å; L117-F125 HydrophobicContact CG-CE2 3.62Å; L117-F125 HydrophobicContact CG-CG 4.49Å; L117-F125 HydrophobicContact CG-CZ 4.38Å; L117-P146 HydrophobicContact CD1-CB 4.06Å; L117-P146 WeakPolarHBondContact CD1-O 3.43Å; L117-E150 HydrophobicContact CD1-CB 4.12Å; L117-E150 HydrophobicContact CD2-CB 3.85Å; L117-E150 HydrophobicContact CD2-CG 3.74Å; L117-F180 HydrophobicContact CB-CD2 4.14Å; L117-F180 HydrophobicContact CB-CE2 4.16Å
118S87Confident89.6Confident12 Ų1232.3 Ų32.38%0.08416%0.164CC..Hα-helixtrans-62.4-28.5179.177.80000113.3L114 F115L114-S118 PolarHBondContact O-N 3.44Å; F115-S118 PolarHBondContact O-N 3.22Å; F115-S118 PolarHBondContact O-OG 3.05Å
119Q88.5Confident89.6Confident68 Ų6833.5 Ų33.532%0.31817%0.17SC..THydrogen-bonded Turntrans-90.21.7176.9-65.6-169.3-0.500114.3I78 F115 L116 L117 R121I78-Q119 VanDerWaalsContact CG2-NE2 3.28Å; F115-Q119 PolarHBondContact O-N 2.76Å; L116-Q119 PolarHBondContact O-N 3.35Å; L117-Q119 PolarHBondContact O-N 3.06Å; Q119-R121 HydrophobicContact CB-CG 4.03Å; Q119-R121 PolarHBondContact O-N 3Å
120R86.1Confident89.6Confident135 Ų13541.2 Ų41.251%0.50921%0.207SC..THydrogen-bonded Turntrans6027-172.6-54.6-176.2172.8168.4-0114.2L116 L117 L122 A183 E187L116-R120 PolarHBondContact O-N 2.97Å; L117-R120 PolarHBondContact O-N 3.44Å; R120-L122 VanDerWaalsContact C-N 3.33Å; R120-L122 PolarHBondContact O-N 3.24Å; R120-A183 PolarHBondContact NH2-O 2.66Å; R120-A183 VanDerWaalsContact NH2-O 3.1Å; R120-E187 IonicContact CZ-OE1 3.96Å; R120-E187 IonicContact NE-OE1 2.69Å; R120-E187 PolarHBondContact NE-OE1 2.97Å; R120-E187 IonicContact NH1-OE1 2.78Å; R120-E187 IonicContact NH2-OE1 2.64Å; R120-E187 PolarHBondContact NH2-OE1 2.95Å
121R88.4Confident89.4Confident83 Ų8347.8 Ų47.831%0.31323%0.231SC..  trans-90.166.1177.3-67.7175.667.1-177.8-1.7110.7E82 L116 Q119 A123 D124 F125E82-R121 IonicContact OE1-CZ 3.04Å; E82-R121 IonicContact OE1-NH1 3.65Å; E82-R121 PolarHBondContact OE1-NH1 3.32Å; L116-R121 HydrophobicContact CD2-CB 4.24Å; L116-R121 PolarHBondContact O-N 3.25Å; Q119-R121 HydrophobicContact CB-CG 4.03Å; Q119-R121 PolarHBondContact O-N 3Å; R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.07Å; R121-D124 HydrophobicContact CB-CB 4.31Å; R121-D124 IonicContact CZ-OD2 3.22Å; R121-D124 IonicContact NE-OD2 3.29Å; R121-D124 PolarHBondContact NE-OD2 3.34Å; R121-D124 IonicContact NH2-OD1 2.82Å; R121-D124 IonicContact NH2-OD2 3.11Å; R121-D124 PolarHBondContact NH2-OD2 3.19Å; R121-D124 PolarHBondContact O-N 3.19Å; R121-F125 PolarHBondContact O-N 3.32Å; R121-F125 VanDerWaalsContact O-N 3.09Å
122L88.2Confident89.2Confident57 Ų5748.2 Ų48.230%0.29823%0.234SC..Hα-helixtrans-64-35-177.2-62.9179000113L117 R120 F125 H126 E150 M154L117-L122 HydrophobicContact CD2-CD2 3.89Å; R120-L122 VanDerWaalsContact C-N 3.33Å; R120-L122 PolarHBondContact O-N 3.24Å; L122-F125 WeakPolarHBondContact O-CB 3.17Å; L122-F125 PolarHBondContact O-N 3.46Å; L122-H126 PolarHBondContact O-CD2 3.42Å; L122-H126 PolarHBondContact O-N 3.39Å; L122-E150 HydrophobicContact CD2-CG 4.47Å; L122-M154 HydrophobicContact CD1-CE 4.29Å
123A91.2Very high88.9Confident73 Ų7351.4 Ų51.460%0.60325%0.253SS*.Hα-helixtrans-61.8-48.7177.600000111.7R121 F125 H126 V127R121-A123 VanDerWaalsContact C-N 3.33Å; R121-A123 PolarHBondContact O-N 3.07Å; A123-F125 VanDerWaalsContact C-N 3.27Å; A123-F125 PolarHBondContact O-N 3.25Å; A123-H126 PolarHBondContact O-N 2.69Å; A123-V127 WeakPolarHBondContact O-CG2 3.48Å; A123-V127 PolarHBondContact O-N 2.91Å
124D90.9Very high88.3Confident65 Ų6558 Ų5835%0.34829%0.287SS..Hα-helixtrans-66.4-32.4178.3-63.9-46.3000111.9L116 R121 V127 E128L116-D124 HydrophobicContact CD1-CB 4.29Å; L116-D124 HydrophobicContact CD2-CB 3.95Å; R121-D124 HydrophobicContact CB-CB 4.31Å; R121-D124 IonicContact CZ-OD2 3.22Å; R121-D124 IonicContact NE-OD2 3.29Å; R121-D124 PolarHBondContact NE-OD2 3.34Å; R121-D124 IonicContact NH2-OD1 2.82Å; R121-D124 IonicContact NH2-OD2 3.11Å; R121-D124 PolarHBondContact NH2-OD2 3.19Å; R121-D124 PolarHBondContact O-N 3.19Å; D124-V127 PolarHBondContact O-N 3.15Å; D124-E128 PolarHBondContact O-N 3.19Å
125F91.9Very high87.9Confident0 Ų065.8 Ų65.80%032%0.323CS..Hα-helixtrans-60.6-49.8173.3177.9-91.3000111.3L113 L116 L117 R121 L122 A123 V127 E128 L129 V147 E150L113-F125 HydrophobicContact CB-CD2 4.13Å; L113-F125 HydrophobicContact CB-CE2 3.78Å; L113-F125 HydrophobicContact CD2-CD2 3.71Å; L113-F125 HydrophobicContact CD2-CE2 3.79Å; L113-F125 HydrophobicContact CD2-CG 4.42Å; L113-F125 HydrophobicContact CG-CE2 4.27Å; L116-F125 HydrophobicContact CB-CB 4.26Å; L117-F125 HydrophobicContact CD1-CD2 4.3Å; L117-F125 HydrophobicContact CD1-CE2 3.69Å; L117-F125 HydrophobicContact CD1-CZ 4.21Å; L117-F125 HydrophobicContact CD2-CD1 4.4Å; L117-F125 HydrophobicContact CD2-CD2 3.74Å; L117-F125 HydrophobicContact CD2-CE1 4.46Å; L117-F125 HydrophobicContact CD2-CE2 3.8Å; L117-F125 HydrophobicContact CD2-CG 4.04Å; L117-F125 HydrophobicContact CD2-CZ 4.19Å; L117-F125 HydrophobicContact CG-CD2 3.7Å; L117-F125 HydrophobicContact CG-CE2 3.62Å; L117-F125 HydrophobicContact CG-CG 4.49Å; L117-F125 HydrophobicContact CG-CZ 4.38Å; R121-F125 PolarHBondContact O-N 3.32Å; R121-F125 VanDerWaalsContact O-N 3.09Å; L122-F125 WeakPolarHBondContact O-CB 3.17Å; L122-F125 PolarHBondContact O-N 3.46Å; A123-F125 VanDerWaalsContact C-N 3.27Å; A123-F125 PolarHBondContact O-N 3.25Å; F125-V127 PolarHBondContact O-N 2.92Å; F125-E128 PolarHBondContact O-N 2.97Å; F125-L129 HydrophobicContact CD1-CD1 3.79Å; F125-L129 HydrophobicContact CD1-CG 4.25Å; F125-L129 HydrophobicContact CE1-CD1 3.22Å; F125-L129 HydrophobicContact CE1-CG 3.96Å; F125-L129 HydrophobicContact CZ-CD1 3.79Å; F125-L129 HydrophobicContact CZ-CG 4.27Å; F125-L129 WeakPolarHBondContact O-CG 3.38Å; F125-L129 PolarHBondContact O-N 3.09Å; F125-V147 HydrophobicContact CZ-CG2 4.43Å; F125-E150 HydrophobicContact CD1-CG 4.09Å; F125-E150 HydrophobicContact CE1-CB 3.84Å; F125-E150 HydrophobicContact CE1-CG 3.56Å; F125-E150 HydrophobicContact CZ-CB 3.78Å; F125-E150 HydrophobicContact CZ-CG 4.01Å
126H92Very high87.4Confident81 Ų8166.7 Ų66.738%0.37533%0.328SS..Hα-helixtrans-66.2-35.9178.1-66.8-55.4000112.8L122 A123 E128 L129 E130 E150L122-H126 PolarHBondContact O-CD2 3.42Å; L122-H126 PolarHBondContact O-N 3.39Å; A123-H126 PolarHBondContact O-N 2.69Å; H126-E128 VanDerWaalsContact C-N 3.32Å; H126-E128 PolarHBondContact O-N 3.33Å; H126-L129 PolarHBondContact O-N 2.72Å; H126-E130 PolarHBondContact O-N 3.48Å; H126-E150 IonicContact CE1-OE1 3.95Å; H126-E150 PolarHBondContact CE1-OE1 2.64Å; H126-E150 IonicContact NE2-OE1 2.72Å
127V91.6Very high86.8Confident72 Ų7268 Ų6844%0.43633%0.334SS..Hα-helixtrans-62.5-40173.7171.40000111.3A123 D124 F125A123-V127 WeakPolarHBondContact O-CG2 3.48Å; A123-V127 PolarHBondContact O-N 2.91Å; D124-V127 PolarHBondContact O-N 3.15Å; F125-V127 PolarHBondContact O-N 2.92Å
128E88.6Confident86.3Confident9 Ų972.6 Ų72.64%0.04236%0.363CS..Hα-helixtrans-70.9-35.8176.4-164.569.5-143.600111.7K89 Y93 L113 L116 D124 F125 H126 E130 R131K89-E128 VanDerWaalsContact CE-OE2 3.27Å; K89-E128 WeakPolarHBondContact CE-OE2 3.49Å; K89-E128 IonicContact NZ-OE2 2.83Å; K89-E128 PolarHBondContact NZ-OE2 3.45Å; Y93-E128 PolarHBondContact OH-OE1 3.16Å; L113-E128 HydrophobicContact CD2-CB 4.04Å; L113-E128 HydrophobicContact CD2-CG 4.13Å; L116-E128 HydrophobicContact CD1-CB 4.48Å; D124-E128 PolarHBondContact O-N 3.19Å; F125-E128 PolarHBondContact O-N 2.97Å; H126-E128 VanDerWaalsContact C-N 3.32Å; H126-E128 PolarHBondContact O-N 3.33Å; E128-E130 VanDerWaalsContact C-N 3.35Å; E128-R131 PolarHBondContact O-N 3.35Å
129L88.2Confident85.9Confident26 Ų2676.1 Ų76.114%0.13639%0.387CS..Hα-helixtrans-64.9-36.7174.2-74.3-174.9000112.9L113 F125 H126 R131 L132 V147L113-L129 HydrophobicContact CD1-CD2 3.84Å; L113-L129 HydrophobicContact CD2-CD2 3.96Å; L113-L129 HydrophobicContact CD2-CG 4.21Å; F125-L129 HydrophobicContact CD1-CD1 3.79Å; F125-L129 HydrophobicContact CD1-CG 4.25Å; F125-L129 HydrophobicContact CE1-CD1 3.22Å; F125-L129 HydrophobicContact CE1-CG 3.96Å; F125-L129 HydrophobicContact CZ-CD1 3.79Å; F125-L129 HydrophobicContact CZ-CG 4.27Å; F125-L129 WeakPolarHBondContact O-CG 3.38Å; F125-L129 PolarHBondContact O-N 3.09Å; H126-L129 PolarHBondContact O-N 2.72Å; L129-R131 PolarHBondContact O-N 3.29Å; L129-L132 HydrophobicContact CD2-CD1 4.46Å; L129-L132 PolarHBondContact O-N 2.86Å; L129-L132 VanDerWaalsContact O-N 3.09Å; L129-V147 HydrophobicContact CD1-CG2 4.28Å; L129-V147 HydrophobicContact CD2-CG2 3.75Å
130E89.1Confident85.6Confident165 Ų16573.3 Ų73.377%0.77138%0.375SS*.Hα-helixtrans-62.7-27.7177.7-172.1177.6-179.100112.5H126 E128 L132H126-E130 PolarHBondContact O-N 3.48Å; E128-E130 VanDerWaalsContact C-N 3.35Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.03Å
131R86.3Confident85.5Confident138 Ų13871.6 Ų71.652%0.52138%0.379SS..THydrogen-bonded Turntrans-73.7-22.1176.8-65.2177176.4-157.2-4113.3Y93 E128 L129Y93-R131 HydrophobicContact CE1-CB 3.97Å; E128-R131 PolarHBondContact O-N 3.35Å; L129-R131 PolarHBondContact O-N 3.29Å
132L84.7Confident85.4Confident12 Ų1271.5 Ų71.56%0.06338%0.38CS..SBendtrans-91142.5-177.8-62.4173.3000110.1L109 L113 L129 E130 I137 I143L109-L132 HydrophobicContact CD1-CD2 4.04Å; L113-L132 HydrophobicContact CD1-CD1 4.45Å; L129-L132 HydrophobicContact CD2-CD1 4.46Å; L129-L132 PolarHBondContact O-N 2.86Å; L129-L132 VanDerWaalsContact O-N 3.09Å; E130-L132 VanDerWaalsContact C-N 3.3Å; E130-L132 PolarHBondContact O-N 3.03Å; L132-I137 HydrophobicContact CB-CD1 4.23Å; L132-I137 HydrophobicContact CB-CG1 4.02Å; L132-I143 HydrophobicContact CD1-CD1 4.25Å; L132-I143 HydrophobicContact CD1-CG2 4.38Å
133T83.1Confident85.3Confident72 Ų7268.8 Ų68.844%0.44237%0.365SS..  trans-76.8152173.160.60000110.9E135 E136 I137T133-E135 PolarHBondContact O-N 2.87Å; T133-E136 PolarHBondContact N-OE2 3.33Å; T133-E136 WeakPolarHBondContact O-CB 3.17Å; T133-E136 PolarHBondContact O-N 2.86Å; T133-E136 WeakPolarHBondContact OG1-CB 3.42Å; T133-E136 WeakPolarHBondContact OG1-CG 3.32Å; T133-E136 PolarHBondContact OG1-N 3.45Å; T133-E136 PolarHBondContact OG1-OE2 2.97Å; T133-I137 WeakPolarHBondContact O-CG1 3.46Å; T133-I137 PolarHBondContact O-N 3.33Å; T133-I137 VanDerWaalsContact O-N 3.09Å
134I79.8Confident85.1Confident138 Ų13868.6 Ų68.671%0.70835%0.354SS*.Hα-helixtrans-58.2-33.8179.4-58.3167.2000111.3I137 T138I134-I137 PolarHBondContact O-N 3.31Å; I134-T138 WeakPolarHBondContact O-CB 3.36Å; I134-T138 PolarHBondContact O-N 2.92Å; I134-T138 PolarHBondContact O-OG1 2.78Å
135E79.9Confident85Confident164 Ų16466.2 Ų66.277%0.76634%0.341SS*.Hα-helixtrans-66.3-42.6176.2-62.9-177.5-179.400112T133 I137 T138 S139T133-E135 PolarHBondContact O-N 2.87Å; E135-I137 VanDerWaalsContact C-N 3.32Å; E135-I137 PolarHBondContact O-N 3.22Å; E135-T138 PolarHBondContact O-N 3.47Å; E135-S139 WeakPolarHBondContact O-CB 3.38Å; E135-S139 PolarHBondContact O-N 2.94Å; E135-S139 PolarHBondContact O-OG 2.99Å
136E78.9Confident84.8Confident20 Ų2066.2 Ų66.29%0.09334%0.341CS..Hα-helixtrans-64.7-37176.1-73.3165.1150.200111.5K96 Y106 T133 S139 S140K96-E136 IonicContact NZ-OE1 3.84Å; K96-E136 PolarHBondContact NZ-OE1 3.39Å; Y106-E136 HydrophobicContact CE1-CB 4.07Å; Y106-E136 HydrophobicContact CE1-CG 3.98Å; T133-E136 PolarHBondContact N-OE2 3.33Å; T133-E136 WeakPolarHBondContact O-CB 3.17Å; T133-E136 PolarHBondContact O-N 2.86Å; T133-E136 WeakPolarHBondContact OG1-CB 3.42Å; T133-E136 WeakPolarHBondContact OG1-CG 3.32Å; T133-E136 PolarHBondContact OG1-N 3.45Å; T133-E136 PolarHBondContact OG1-OE2 2.97Å; E136-S139 WeakPolarHBondContact CA-OG 3.24Å; E136-S139 PolarHBondContact O-OG 3.42Å; E136-S140 WeakPolarHBondContact O-CB 3.42Å; E136-S140 PolarHBondContact O-N 3.03Å
137I79.1Confident84.7Confident35 Ų3563.7 Ų63.718%0.17933%0.331CS..Hα-helixtrans-67-45177.1-64.1168.1000111.1L132 T133 I134 E135 I143 V147L132-I137 HydrophobicContact CB-CD1 4.23Å; L132-I137 HydrophobicContact CB-CG1 4.02Å; T133-I137 WeakPolarHBondContact O-CG1 3.46Å; T133-I137 PolarHBondContact O-N 3.33Å; T133-I137 VanDerWaalsContact O-N 3.09Å; I134-I137 PolarHBondContact O-N 3.31Å; E135-I137 VanDerWaalsContact C-N 3.32Å; E135-I137 PolarHBondContact O-N 3.22Å; I137-I143 HydrophobicContact CB-CG2 4.4Å; I137-I143 HydrophobicContact CG1-CG2 4.25Å; I137-I143 HydrophobicContact CG2-CG2 4.26Å; I137-V147 HydrophobicContact CG2-CG2 4.28Å
138T78.1Confident84.6Confident100 Ų10061.7 Ų61.761%0.61332%0.321SS*.Hα-helixtrans-77.5-35-174.6-49.80000112.2I134 E135I134-T138 WeakPolarHBondContact O-CB 3.36Å; I134-T138 PolarHBondContact O-N 2.92Å; I134-T138 PolarHBondContact O-OG1 2.78Å; E135-T138 PolarHBondContact O-N 3.47Å
139S80Confident84.5Confident85 Ų8561.3 Ų61.359%0.59432%0.319SS*.Hα-helixtrans-72.5-34.4-178.157.20000113.2E135 E136E135-S139 WeakPolarHBondContact O-CB 3.38Å; E135-S139 PolarHBondContact O-N 2.94Å; E135-S139 PolarHBondContact O-OG 2.99Å; E136-S139 WeakPolarHBondContact CA-OG 3.24Å; E136-S139 PolarHBondContact O-OG 3.42Å
140S80.7Confident84.6Confident9 Ų961 Ų616%0.06332%0.316CS..  trans-92112.8-176.7-179.80000112Y106 E136 Y142 I143 N144Y106-S140 WeakPolarHBondContact CB-OG 3.4Å; E136-S140 WeakPolarHBondContact O-CB 3.42Å; E136-S140 PolarHBondContact O-N 3.03Å; S140-Y142 PolarHBondContact O-N 2.68Å; S140-Y142 WeakPolarHBondContact OG-CB 3.48Å; S140-Y142 PolarHBondContact OG-N 3.24Å; S140-I143 PolarHBondContact O-N 3.32Å; S140-I143 VanDerWaalsContact O-N 3.11Å; S140-N144 WeakPolarHBondContact O-CB 3.21Å; S140-N144 PolarHBondContact O-N 3.02Å
141V84.5Confident84.7Confident99 Ų9957.7 Ų57.760%0.630%0.301SS*.Hα-helixtrans-56.2-32.6170.9-176.40000111.3I143 H145 P169V141-I143 VanDerWaalsContact C-N 3.33Å; V141-I143 PolarHBondContact O-N 2.9Å; V141-H145 PolarHBondContact O-N 3.49Å; V141-P169 HydrophobicContact CG1-CG 4.13Å
142Y85.8Confident84.8Confident81 Ų8154 Ų5432%0.31829%0.287SS..Hα-helixtrans-67.5-28.6179.8-61.4-70.3000114.1E107 G110 S140 P146 P169 Y173E107-Y142 HydrophobicContact CB-CD1 4.31Å; E107-Y142 HydrophobicContact CB-CG 4.3Å; E107-Y142 HydrophobicContact CG-CD1 4.03Å; E107-Y142 HydrophobicContact CG-CE1 4.17Å; G110-Y142 WeakPolarHBondContact CA-O 3.36Å; S140-Y142 PolarHBondContact O-N 2.68Å; S140-Y142 WeakPolarHBondContact OG-CB 3.48Å; S140-Y142 PolarHBondContact OG-N 3.24Å; Y142-P146 WeakPolarHBondContact O-CD 3.4Å; Y142-P169 HydrophobicContact CD1-CB 3.66Å; Y142-P169 HydrophobicContact CD1-CG 4.42Å; Y142-P169 HydrophobicContact CE1-CB 3.68Å; Y142-Y173 WeakPolarHBondContact CB-OH 3.5Å; Y142-Y173 HydrophobicContact CD1-CE2 4.35Å
143I87.3Confident84.9Confident0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-95.6-38.1180-65173.8000110.3Y106 L109 L113 L132 I137 S140 V141 H145 P146 V147Y106-I143 HydrophobicContact CD1-CD1 3.71Å; Y106-I143 HydrophobicContact CG-CD1 4.46Å; L109-I143 HydrophobicContact CB-CD1 4.33Å; L113-I143 HydrophobicContact CD1-CG2 3.85Å; L132-I143 HydrophobicContact CD1-CD1 4.25Å; L132-I143 HydrophobicContact CD1-CG2 4.38Å; I137-I143 HydrophobicContact CB-CG2 4.4Å; I137-I143 HydrophobicContact CG1-CG2 4.25Å; I137-I143 HydrophobicContact CG2-CG2 4.26Å; S140-I143 PolarHBondContact O-N 3.32Å; S140-I143 VanDerWaalsContact O-N 3.11Å; V141-I143 VanDerWaalsContact C-N 3.33Å; V141-I143 PolarHBondContact O-N 2.9Å; I143-H145 PolarHBondContact O-N 2.97Å; I143-P146 WeakPolarHBondContact O-CD 3.44Å; I143-P146 WeakPolarHBondContact O-CG 3.44Å; I143-V147 HydrophobicContact CG2-CG2 4.27Å; I143-V147 VanDerWaalsContact O-CG2 3.3Å; I143-V147 WeakPolarHBondContact O-CG2 3.47Å; I143-V147 PolarHBondContact O-N 3.06Å
144N87.3Confident85.1Confident69 Ų6957 Ų5737%0.36930%0.299SS..Hα-helixtrans-61.2-33.2178.1-168.9-0.2000112.1S140 V147 S148S140-N144 WeakPolarHBondContact O-CB 3.21Å; S140-N144 PolarHBondContact O-N 3.02Å; N144-V147 PolarHBondContact O-N 2.72Å; N144-S148 VanDerWaalsContact O-CB 3.3Å; N144-S148 WeakPolarHBondContact O-CB 3.25Å; N144-S148 PolarHBondContact O-N 2.69Å; N144-S148 PolarHBondContact O-OG 3.23Å; N144-S148 PolarHBondContact OD1-OG 2.82Å; N144-S148 VanDerWaalsContact OD1-OG 3.11Å
145H87.4Confident85.4Confident15 Ų1555.2 Ų55.27%0.06929%0.287CS..Hα-helixtrans-59.6-56.4177.8-178.8-89.7000113.9V141 I143 V147 S148 M149 S164 N167 P169V141-H145 PolarHBondContact O-N 3.49Å; I143-H145 PolarHBondContact O-N 2.97Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 3.01Å; H145-S148 PolarHBondContact O-N 3.33Å; H145-M149 WeakPolarHBondContact CE1-CE 3.27Å; H145-M149 PolarHBondContact CE1-SD 3.29Å; H145-M149 WeakPolarHBondContact NE2-CE 3.44Å; H145-M149 WeakPolarHBondContact O-CG 3.35Å; H145-M149 PolarHBondContact O-N 3.36Å; H145-S164 PolarHBondContact NE2-O 3.05Å; H145-S164 VanDerWaalsContact NE2-O 3.12Å; H145-N167 PolarHBondContact CD2-O 3.14Å; H145-P169 HydrophobicContact CB-CG 4.23Å
146P88.4Confident85.6Confident0 Ų049.2 Ų49.20%027%0.27CS..Hα-helixtrans-64.3-33.3175.622.2-32.3000113.1L113 L114 L117 Y142 I143 M149 E150L113-P146 HydrophobicContact CB-CB 4.12Å; L113-P146 HydrophobicContact CB-CG 4.05Å; L113-P146 HydrophobicContact CD1-CG 4.37Å; L114-P146 HydrophobicContact CB-CB 4.44Å; L117-P146 HydrophobicContact CD1-CB 4.06Å; L117-P146 WeakPolarHBondContact CD1-O 3.43Å; Y142-P146 WeakPolarHBondContact O-CD 3.4Å; I143-P146 WeakPolarHBondContact O-CD 3.44Å; I143-P146 WeakPolarHBondContact O-CG 3.44Å; P146-M149 PolarHBondContact O-N 2.96Å; P146-E150 WeakPolarHBondContact O-CB 3.39Å; P146-E150 PolarHBondContact O-N 2.97Å
147V89.8Confident85.9Confident29 Ų2950.8 Ų50.818%0.17628%0.279CS..Hα-helixtrans-64.4-46175.2173.80000111.4F125 L129 I137 I143 N144 H145 M149 E150 Q151F125-V147 HydrophobicContact CZ-CG2 4.43Å; L129-V147 HydrophobicContact CD1-CG2 4.28Å; L129-V147 HydrophobicContact CD2-CG2 3.75Å; I137-V147 HydrophobicContact CG2-CG2 4.28Å; I143-V147 HydrophobicContact CG2-CG2 4.27Å; I143-V147 VanDerWaalsContact O-CG2 3.3Å; I143-V147 WeakPolarHBondContact O-CG2 3.47Å; I143-V147 PolarHBondContact O-N 3.06Å; N144-V147 PolarHBondContact O-N 2.72Å; H145-V147 VanDerWaalsContact C-N 3.32Å; H145-V147 PolarHBondContact O-N 3.01Å; V147-M149 VanDerWaalsContact C-N 3.3Å; V147-M149 PolarHBondContact O-N 3.01Å; V147-E150 PolarHBondContact O-N 2.83Å; V147-Q151 PolarHBondContact O-N 2.69Å
148S88.9Confident86Confident30 Ų3051.3 Ų51.321%0.2128%0.28CS..Hα-helixtrans-62.3-39175.5-65.80000111.6N144 H145 Q151 Y152N144-S148 VanDerWaalsContact O-CB 3.3Å; N144-S148 WeakPolarHBondContact O-CB 3.25Å; N144-S148 PolarHBondContact O-N 2.69Å; N144-S148 PolarHBondContact O-OG 3.23Å; N144-S148 PolarHBondContact OD1-OG 2.82Å; N144-S148 VanDerWaalsContact OD1-OG 3.11Å; H145-S148 PolarHBondContact O-N 3.33Å; S148-Q151 PolarHBondContact O-N 3.41Å; S148-Y152 WeakPolarHBondContact O-CD2 3.34Å; S148-Y152 PolarHBondContact O-N 3.17Å
149M88.3Confident86.1Confident0 Ų051.8 Ų51.80%028%0.275CS..Hα-helixtrans-63.2-43.9175.5-78.6-176.3161.700112.5L114 H145 P146 V147 Y152 L153 S164 I177L114-M149 HydrophobicContact CD1-SD 4.32Å; H145-M149 WeakPolarHBondContact CE1-CE 3.27Å; H145-M149 PolarHBondContact CE1-SD 3.29Å; H145-M149 WeakPolarHBondContact NE2-CE 3.44Å; H145-M149 WeakPolarHBondContact O-CG 3.35Å; H145-M149 PolarHBondContact O-N 3.36Å; P146-M149 PolarHBondContact O-N 2.96Å; V147-M149 VanDerWaalsContact C-N 3.3Å; V147-M149 PolarHBondContact O-N 3.01Å; M149-Y152 PolarHBondContact O-N 2.66Å; M149-L153 PolarHBondContact O-N 3.15Å; M149-S164 WeakPolarHBondContact CE-OG 3.43Å; M149-I177 HydrophobicContact CE-CD1 4.06Å; M149-I177 HydrophobicContact CE-CG1 4.18Å; M149-I177 HydrophobicContact CE-CG2 4.34Å; M149-I177 HydrophobicContact SD-CG1 4.5Å
150E88.9Confident86.3Confident19 Ų1951.6 Ų51.69%0.08926%0.263CS..Hα-helixtrans-62.7-45.1176.3-172.9-84.8161.200111.1L117 L122 F125 H126 P146 V147 Y152 L153 M154L117-E150 HydrophobicContact CD1-CB 4.12Å; L117-E150 HydrophobicContact CD2-CB 3.85Å; L117-E150 HydrophobicContact CD2-CG 3.74Å; L122-E150 HydrophobicContact CD2-CG 4.47Å; F125-E150 HydrophobicContact CD1-CG 4.09Å; F125-E150 HydrophobicContact CE1-CB 3.84Å; F125-E150 HydrophobicContact CE1-CG 3.56Å; F125-E150 HydrophobicContact CZ-CB 3.78Å; F125-E150 HydrophobicContact CZ-CG 4.01Å; H126-E150 IonicContact CE1-OE1 3.95Å; H126-E150 PolarHBondContact CE1-OE1 2.64Å; H126-E150 IonicContact NE2-OE1 2.72Å; P146-E150 WeakPolarHBondContact O-CB 3.39Å; P146-E150 PolarHBondContact O-N 2.97Å; V147-E150 PolarHBondContact O-N 2.83Å; E150-Y152 PolarHBondContact O-N 3.38Å; E150-L153 WeakPolarHBondContact O-CB 3.38Å; E150-L153 PolarHBondContact O-N 2.96Å; E150-L153 VanDerWaalsContact O-N 3.13Å; E150-M154 WeakPolarHBondContact O-CG 3.34Å; E150-M154 PolarHBondContact O-N 3.25Å; E150-M154 VanDerWaalsContact OE1-CE 3.23Å; E150-M154 WeakPolarHBondContact OE1-CE 3.47Å; E150-M154 WeakPolarHBondContact OE1-CG 3.48Å
151Q90.7Very high86.4Confident96 Ų9651.1 Ų51.145%0.44926%0.26SS..Hα-helixtrans-59.4-44.9175.6-177-178.7-1300111.9V147 S148 L153 M154 E155V147-Q151 PolarHBondContact O-N 2.69Å; S148-Q151 PolarHBondContact O-N 3.41Å; Q151-L153 VanDerWaalsContact C-N 3.27Å; Q151-L153 PolarHBondContact O-N 3.09Å; Q151-M154 PolarHBondContact O-N 3.15Å; Q151-E155 HydrophobicContact CG-CG 4.4Å; Q151-E155 PolarHBondContact NE2-OE1 3.34Å; Q151-E155 WeakPolarHBondContact O-CB 3.23Å; Q151-E155 WeakPolarHBondContact O-CG 3.42Å; Q151-E155 PolarHBondContact O-N 3.09Å
152Y88.9Confident86.1Confident60 Ų6048 Ų4824%0.23524%0.239CC..Hα-helixtrans-64.3-33.2177.7-62.6-31.5000112.8S148 M149 E150 G156 N157 K160S148-Y152 WeakPolarHBondContact O-CD2 3.34Å; S148-Y152 PolarHBondContact O-N 3.17Å; M149-Y152 PolarHBondContact O-N 2.66Å; E150-Y152 PolarHBondContact O-N 3.38Å; Y152-G156 PolarHBondContact O-N 3.49Å; Y152-N157 PolarHBondContact O-N 3.37Å; Y152-K160 HydrophobicContact CD1-CB 3.93Å; Y152-K160 HydrophobicContact CD1-CD 3.58Å; Y152-K160 HydrophobicContact CD1-CG 4.46Å; Y152-K160 HydrophobicContact CD2-CB 3.68Å; Y152-K160 HydrophobicContact CE1-CB 4.19Å; Y152-K160 HydrophobicContact CE1-CD 3.43Å; Y152-K160 VanDerWaalsContact CE1-CD 3.43Å; Y152-K160 HydrophobicContact CE1-CG 4.46Å; Y152-K160 HydrophobicContact CE2-CB 3.95Å; Y152-K160 HydrophobicContact CG-CB 3.68Å; Y152-K160 HydrophobicContact CG-CD 4.22Å
153L86.8Confident85.9Confident34 Ų3449.6 Ų49.618%0.17825%0.252CS..Hα-helixtrans-65.8-45.4172.6-178.864.7000110.8M149 E150 Q151 G156 F158 F180 T184M149-L153 PolarHBondContact O-N 3.15Å; E150-L153 WeakPolarHBondContact O-CB 3.38Å; E150-L153 PolarHBondContact O-N 2.96Å; E150-L153 VanDerWaalsContact O-N 3.13Å; Q151-L153 VanDerWaalsContact C-N 3.27Å; Q151-L153 PolarHBondContact O-N 3.09Å; L153-G156 WeakPolarHBondContact O-CA 3.28Å; L153-G156 PolarHBondContact O-N 2.99Å; L153-F158 HydrophobicContact CD1-CE1 3.91Å; L153-F180 HydrophobicContact CD2-CE2 3.92Å; L153-F180 HydrophobicContact CD2-CZ 3.95Å; L153-T184 HydrophobicContact CD1-CG2 3.78Å
154M87.4Confident85.4Confident115 Ų11550.3 Ų50.357%0.56726%0.257SS*.Hα-helixtrans-65.8-36.4178-70.3-62.4-14300113.1L122 E150 Q151 G156L122-M154 HydrophobicContact CD1-CE 4.29Å; E150-M154 WeakPolarHBondContact O-CG 3.34Å; E150-M154 PolarHBondContact O-N 3.25Å; E150-M154 VanDerWaalsContact OE1-CE 3.23Å; E150-M154 WeakPolarHBondContact OE1-CE 3.47Å; E150-M154 WeakPolarHBondContact OE1-CG 3.48Å; Q151-M154 PolarHBondContact O-N 3.15Å; M154-G156 PolarHBondContact O-N 3.49Å
155E87.1Confident84.7Confident99 Ų9951.5 Ų51.546%0.46326%0.259SS..THydrogen-bonded Turntrans-68.8-10.9171.6-72.7177.2-170.500112.7Q151 N157 K160Q151-E155 HydrophobicContact CG-CG 4.4Å; Q151-E155 PolarHBondContact NE2-OE1 3.34Å; Q151-E155 WeakPolarHBondContact O-CB 3.23Å; Q151-E155 WeakPolarHBondContact O-CG 3.42Å; Q151-E155 PolarHBondContact O-N 3.09Å; E155-N157 HydrophobicContact CB-CB 4.39Å; E155-N157 PolarHBondContact O-N 3.31Å; E155-K160 IonicContact OE2-NZ 2.62Å
156G83.8Confident84Confident39 Ų3954.4 Ų54.440%0.40229%0.293SS..THydrogen-bonded Turntrans68.515.4-173.300000113.5Y152 L153 M154 F158Y152-G156 PolarHBondContact O-N 3.49Å; L153-G156 WeakPolarHBondContact O-CA 3.28Å; L153-G156 PolarHBondContact O-N 2.99Å; M154-G156 PolarHBondContact O-N 3.49Å; G156-F158 VanDerWaalsContact O-CD2 3.28Å; G156-F158 WeakPolarHBondContact O-CD2 3.43Å; G156-F158 WeakPolarHBondContact O-CE2 3.1Å; G156-F158 PolarHBondContact O-N 3.03Å
157N84.4Confident83.4Confident53 Ų5360.1 Ų60.128%0.28332%0.323SS..  trans-91.775.1-178.3-166.7-22.4000111.3Y152 E155 H159 K160 V161Y152-N157 PolarHBondContact O-N 3.37Å; E155-N157 HydrophobicContact CB-CB 4.39Å; E155-N157 PolarHBondContact O-N 3.31Å; N157-H159 PolarHBondContact O-N 2.92Å; N157-H159 VanDerWaalsContact O-N 3.16Å; N157-H159 PolarHBondContact OD1-N 3.24Å; N157-K160 WeakPolarHBondContact ND2-CE 3.44Å; N157-K160 PolarHBondContact O-N 2.89Å; N157-K160 PolarHBondContact OD1-N 3.36Å; N157-V161 PolarHBondContact O-N 3.4Å
158F81Confident82.7Confident46 Ų4660.3 Ų60.320%0.20233%0.325CS..Hα-helixtrans-59.4-28.5179.4-55.8-73.8000113.1L153 G156 K160 V161 F162 V188 F209L153-F158 HydrophobicContact CD1-CE1 3.91Å; G156-F158 VanDerWaalsContact O-CD2 3.28Å; G156-F158 WeakPolarHBondContact O-CD2 3.43Å; G156-F158 WeakPolarHBondContact O-CE2 3.1Å; G156-F158 PolarHBondContact O-N 3.03Å; F158-K160 VanDerWaalsContact C-N 3.32Å; F158-K160 PolarHBondContact O-N 3.4Å; F158-V161 WeakPolarHBondContact O-CB 3.43Å; F158-V161 PolarHBondContact O-N 3.28Å; F158-V161 VanDerWaalsContact O-N 3.11Å; F158-F162 VanDerWaalsContact O-CD2 3.3Å; F158-F162 WeakPolarHBondContact O-CD2 3.31Å; F158-F162 PolarHBondContact O-N 3.28Å; F158-V188 HydrophobicContact CB-CG2 4.07Å; F158-V188 HydrophobicContact CD1-CG2 3.33Å; F158-V188 HydrophobicContact CD2-CG2 3.49Å; F158-V188 VanDerWaalsContact CD2-CG2 3.49Å; F158-V188 HydrophobicContact CE1-CG2 3.49Å; F158-V188 VanDerWaalsContact CE1-CG2 3.49Å; F158-V188 HydrophobicContact CE2-CG2 3.65Å; F158-V188 HydrophobicContact CG-CG2 3.32Å; F158-V188 HydrophobicContact CZ-CG2 3.65Å; F158-F209 HydrophobicContact CB-CE2 3.8Å; F158-F209 HydrophobicContact CB-CZ 4.1Å
159H81.6Confident81.9Confident110 Ų11060.9 Ų60.951%0.50933%0.328SS..Hα-helixtrans-60.1-43.1179.1-173.383.8000112N157 F162 L163 F209N157-H159 PolarHBondContact O-N 2.92Å; N157-H159 VanDerWaalsContact O-N 3.16Å; N157-H159 PolarHBondContact OD1-N 3.24Å; H159-F162 PolarHBondContact O-N 3.26Å; H159-L163 WeakPolarHBondContact O-CG 3.46Å; H159-L163 PolarHBondContact O-N 3.47Å; H159-F209 HydrophobicContact CB-CE1 3.96Å; H159-F209 HydrophobicContact CB-CZ 3.92Å; H159-F209 AromaticContact ND1-CE1 3.53Å
160K83.2Confident81.2Confident80 Ų8062 Ų6235%0.34834%0.335SS..Hα-helixtrans-68.6-33.8175.8-68.7-176.3-175.6173.20112.8Y152 E155 N157 F158 F162 L163 S164Y152-K160 HydrophobicContact CD1-CB 3.93Å; Y152-K160 HydrophobicContact CD1-CD 3.58Å; Y152-K160 HydrophobicContact CD1-CG 4.46Å; Y152-K160 HydrophobicContact CD2-CB 3.68Å; Y152-K160 HydrophobicContact CE1-CB 4.19Å; Y152-K160 HydrophobicContact CE1-CD 3.43Å; Y152-K160 VanDerWaalsContact CE1-CD 3.43Å; Y152-K160 HydrophobicContact CE1-CG 4.46Å; Y152-K160 HydrophobicContact CE2-CB 3.95Å; Y152-K160 HydrophobicContact CG-CB 3.68Å; Y152-K160 HydrophobicContact CG-CD 4.22Å; E155-K160 IonicContact OE2-NZ 2.62Å; N157-K160 WeakPolarHBondContact ND2-CE 3.44Å; N157-K160 PolarHBondContact O-N 2.89Å; N157-K160 PolarHBondContact OD1-N 3.36Å; F158-K160 VanDerWaalsContact C-N 3.32Å; F158-K160 PolarHBondContact O-N 3.4Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 3.41Å; K160-L163 PolarHBondContact O-N 3.37Å; K160-S164 PolarHBondContact O-N 3.35Å
161V82.5Confident80.6Confident0 Ų069.9 Ų69.90%037%0.37CS..Hα-helixtrans-62.7-39.8175.8-177.50000111.4N157 F158 S164 F180 L181N157-V161 PolarHBondContact O-N 3.4Å; F158-V161 WeakPolarHBondContact O-CB 3.43Å; F158-V161 PolarHBondContact O-N 3.28Å; F158-V161 VanDerWaalsContact O-N 3.11Å; V161-S164 PolarHBondContact O-OG 3.49Å; V161-F180 HydrophobicContact CG1-CE1 3.76Å; V161-L181 HydrophobicContact CG1-CD2 3.77Å
162F79.5Confident79.9Confident34 Ų3468.8 Ų68.815%0.14936%0.361CS..Hα-helixtrans-72.9-35176.2-80.4-79.7000112.8F158 H159 K160 S164 K165 L181 R185 F209F158-F162 VanDerWaalsContact O-CD2 3.3Å; F158-F162 WeakPolarHBondContact O-CD2 3.31Å; F158-F162 PolarHBondContact O-N 3.28Å; H159-F162 PolarHBondContact O-N 3.26Å; K160-F162 VanDerWaalsContact C-N 3.34Å; K160-F162 PolarHBondContact O-N 3.41Å; F162-S164 VanDerWaalsContact C-N 3.31Å; F162-S164 PolarHBondContact O-N 2.75Å; F162-K165 VanDerWaalsContact O-CB 3.28Å; F162-K165 WeakPolarHBondContact O-CB 3.33Å; F162-K165 PolarHBondContact O-N 3.05Å; F162-L181 HydrophobicContact CD1-CD2 4.03Å; F162-L181 HydrophobicContact CE1-CB 4.34Å; F162-L181 HydrophobicContact CE1-CD1 4.5Å; F162-L181 HydrophobicContact CE1-CD2 3.94Å; F162-L181 HydrophobicContact CG-CD2 4.45Å; F162-L181 HydrophobicContact CZ-CD2 4.27Å; F162-R185 HydrophobicContact CZ-CB 4.4Å; F162-F209 HydrophobicContact CB-CD1 4.04Å; F162-F209 HydrophobicContact CB-CE1 4.33Å; F162-F209 HydrophobicContact CB-CG 4.31Å; F162-F209 HydrophobicContact CD1-CB 4.19Å; F162-F209 HydrophobicContact CD1-CG 4.32Å; F162-F209 HydrophobicContact CD2-CB 4.1Å; F162-F209 AromaticContact CD2-CD1 3.83Å; F162-F209 HydrophobicContact CD2-CD1 3.83Å; F162-F209 AromaticContact CD2-CD2 3.18Å; F162-F209 HydrophobicContact CD2-CD2 3.18Å; F162-F209 HydrophobicContact CD2-CE1 4.04Å; F162-F209 AromaticContact CD2-CE2 3.43Å; F162-F209 HydrophobicContact CD2-CE2 3.43Å; F162-F209 VanDerWaalsContact CD2-CE2 3.43Å; F162-F209 AromaticContact CD2-CG 3.41Å; F162-F209 HydrophobicContact CD2-CG 3.41Å; F162-F209 VanDerWaalsContact CD2-CG 3.41Å; F162-F209 AromaticContact CD2-CZ 3.87Å; F162-F209 HydrophobicContact CD2-CZ 3.87Å; F162-F209 HydrophobicContact CE1-CB 4.29Å; F162-F209 HydrophobicContact CE2-CB 4.22Å; F162-F209 AromaticContact CE2-CD2 3.17Å; F162-F209 HydrophobicContact CE2-CD2 3.17Å; F162-F209 AromaticContact CE2-CE2 3.6Å; F162-F209 HydrophobicContact CE2-CE2 3.6Å; F162-F209 AromaticContact CE2-CG 3.74Å; F162-F209 HydrophobicContact CE2-CG 3.74Å; F162-F209 HydrophobicContact CE2-CZ 4.47Å; F162-F209 HydrophobicContact CG-CB 4.1Å; F162-F209 AromaticContact CG-CD1 3.98Å; F162-F209 HydrophobicContact CG-CD1 3.98Å; F162-F209 HydrophobicContact CG-CD2 4.01Å; F162-F209 HydrophobicContact CG-CE1 4.45Å; F162-F209 HydrophobicContact CG-CE2 4.47Å; F162-F209 AromaticContact CG-CG 3.74Å; F162-F209 HydrophobicContact CG-CG 3.74Å; F162-F209 HydrophobicContact CZ-CB 4.32Å; F162-F209 AromaticContact CZ-CD2 3.97Å; F162-F209 HydrophobicContact CZ-CD2 3.97Å; F162-F209 HydrophobicContact CZ-CG 4.33Å
163L80Confident79.4Confident113 Ų11366 Ų6659%0.59235%0.35SS*.Hα-helixtrans-65.4-34.3174.8-70.4174.3000112.4H159 K160 K165 G166H159-L163 WeakPolarHBondContact O-CG 3.46Å; H159-L163 PolarHBondContact O-N 3.47Å; K160-L163 PolarHBondContact O-N 3.37Å; L163-K165 PolarHBondContact O-N 3.37Å; L163-G166 PolarHBondContact O-N 3.36Å
164S77.2Confident79.3Confident16 Ų1667.5 Ų67.511%0.11236%0.358CS..Hα-helixtrans-69.5-15.4178.965.30000113.7H145 M149 K160 V161 F162 G166 N167H145-S164 PolarHBondContact NE2-O 3.05Å; H145-S164 VanDerWaalsContact NE2-O 3.12Å; M149-S164 WeakPolarHBondContact CE-OG 3.43Å; K160-S164 PolarHBondContact O-N 3.35Å; V161-S164 PolarHBondContact O-OG 3.49Å; F162-S164 VanDerWaalsContact C-N 3.31Å; F162-S164 PolarHBondContact O-N 2.75Å; S164-G166 PolarHBondContact O-N 3.4Å; S164-N167 PolarHBondContact O-N 3.04Å; S164-N167 VanDerWaalsContact O-N 3.14Å
165K74Confident79.1Confident93 Ų9364.1 Ų64.140%0.40434%0.341SS..G310 helixtrans-60.6-28.2166.1-170.5-175.3175.9148.20112.5F162 L163 N167 V168 I177 D178 L181F162-K165 VanDerWaalsContact O-CB 3.28Å; F162-K165 WeakPolarHBondContact O-CB 3.33Å; F162-K165 PolarHBondContact O-N 3.05Å; L163-K165 PolarHBondContact O-N 3.37Å; K165-N167 VanDerWaalsContact C-N 3.3Å; K165-V168 VanDerWaalsContact O-CG2 3.24Å; K165-V168 WeakPolarHBondContact O-CG2 3.49Å; K165-I177 HydrophobicContact CG-CG2 4.21Å; K165-D178 IonicContact NZ-OD1 3.06Å; K165-D178 PolarHBondContact NZ-OD1 3.32Å; K165-L181 HydrophobicContact CB-CD1 4.03Å; K165-L181 HydrophobicContact CD-CD1 3.54Å; K165-L181 HydrophobicContact CG-CD1 3.92Å
166G72.8Confident79Confident76 Ų7659.5 Ų59.578%0.78432%0.319SS*.G310 helixtrans-75.2-20.5176.100000113.6L163 S164L163-G166 PolarHBondContact O-N 3.36Å; S164-G166 PolarHBondContact O-N 3.4Å
167N74.8Confident79.1Confident120 Ų12057.7 Ų57.764%0.64230%0.3SS*.G310 helixtrans-108.239.9-172.5-165.627.2000112.1H145 S164 K165 P169H145-N167 PolarHBondContact CD2-O 3.14Å; S164-N167 PolarHBondContact O-N 3.04Å; S164-N167 VanDerWaalsContact O-N 3.14Å; K165-N167 VanDerWaalsContact C-N 3.3Å; N167-P169 WeakPolarHBondContact O-CD 3.27Å
168V74.4Confident79.2Confident33 Ų3358.3 Ų58.320%0.230%0.304CS..  trans-76.4123.2-177.1179.80000110K165 S170 Y173 I177K165-V168 VanDerWaalsContact O-CG2 3.24Å; K165-V168 WeakPolarHBondContact O-CG2 3.49Å; V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 WeakPolarHBondContact CG1-O 3.41Å; V168-S170 PolarHBondContact O-N 3.31Å; V168-Y173 HydrophobicContact CG1-CG 4.41Å; V168-I177 HydrophobicContact CB-CD1 4.37Å; V168-I177 HydrophobicContact CG1-CD1 4.03Å; V168-I177 HydrophobicContact CG2-CD1 3.38Å
169P72.1Confident79.5Confident42 Ų4258.8 Ų58.827%0.27331%0.308SS..SBendtrans-67.5-30.5-177.4-22.834.5000114.3V141 Y142 H145 N167V141-P169 HydrophobicContact CG1-CG 4.13Å; Y142-P169 HydrophobicContact CD1-CB 3.66Å; Y142-P169 HydrophobicContact CD1-CG 4.42Å; Y142-P169 HydrophobicContact CE1-CB 3.68Å; H145-P169 HydrophobicContact CB-CG 4.23Å; N167-P169 WeakPolarHBondContact O-CD 3.27Å
170S74.1Confident79.8Confident23 Ų2353.8 Ų53.816%0.16128%0.284CS..SBendtrans-145.4136.3-174.2-85.10000111E107 V168 R172 Y173E107-S170 WeakPolarHBondContact OE1-CB 3.23Å; E107-S170 PolarHBondContact OE1-OG 3.05Å; V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 WeakPolarHBondContact CG1-O 3.41Å; V168-S170 PolarHBondContact O-N 3.31Å; S170-R172 PolarHBondContact O-N 3.26Å; S170-Y173 WeakPolarHBondContact O-CB 3.17Å; S170-Y173 WeakPolarHBondContact O-CD2 3.43Å; S170-Y173 PolarHBondContact O-N 3.42Å
171K76.1Confident79.9Confident186 Ų18650.2 Ų50.281%0.80927%0.269SS*.G310 helixtrans-54.1-24.3177.9-63.7-176.2178.7-177.40114.6Y173 D174K171-Y173 PolarHBondContact O-N 3.43Å; K171-D174 WeakPolarHBondContact O-CB 3.11Å; K171-D174 PolarHBondContact O-N 3.36Å
172R75.9Confident80.1Confident73 Ų7354.1 Ų54.128%0.27529%0.29SS..G310 helixtrans-66.4-24179.5-57.3-175.9-167.4140.8-7.9113M70 E107 S170 D174M70-R172 VanDerWaalsContact SD-CZ 3.5Å; M70-R172 PolarHBondContact SD-NH1 2.9Å; M70-R172 VanDerWaalsContact SD-NH1 3.36Å; M70-R172 PolarHBondContact SD-NH2 3.48Å; M70-R172 VanDerWaalsContact SD-NH2 3.37Å; E107-R172 IonicContact OE1-CZ 3.8Å; E107-R172 IonicContact OE1-NH1 3.97Å; E107-R172 PolarHBondContact OE1-NH1 3.03Å; E107-R172 IonicContact OE2-NH1 3.69Å; E107-R172 PolarHBondContact OE2-NH1 3.32Å; S170-R172 PolarHBondContact O-N 3.26Å; R172-D174 VanDerWaalsContact C-N 3.32Å
173Y79.2Confident80.5Confident1 Ų153.4 Ų53.40%0.00429%0.29CS..G310 helixtrans-76.4-23.5-180-72-118.2000111.7E107 L111 L114 Y142 V168 S170 K171 F175 F176 I177E107-Y173 HydrophobicContact CG-CE2 3.96Å; E107-Y173 PolarHBondContact O-OH 3.1Å; L111-Y173 HydrophobicContact CD1-CD2 4.23Å; L111-Y173 HydrophobicContact CD1-CE2 4.43Å; L111-Y173 HydrophobicContact CD1-CG 4.3Å; L114-Y173 HydrophobicContact CD2-CD1 3.51Å; L114-Y173 HydrophobicContact CD2-CE1 4.45Å; L114-Y173 HydrophobicContact CD2-CG 4.01Å; Y142-Y173 WeakPolarHBondContact CB-OH 3.5Å; Y142-Y173 HydrophobicContact CD1-CE2 4.35Å; V168-Y173 HydrophobicContact CG1-CG 4.41Å; S170-Y173 WeakPolarHBondContact O-CB 3.17Å; S170-Y173 WeakPolarHBondContact O-CD2 3.43Å; S170-Y173 PolarHBondContact O-N 3.42Å; K171-Y173 PolarHBondContact O-N 3.43Å; Y173-F175 PolarHBondContact O-N 3.21Å; Y173-F175 VanDerWaalsContact O-N 3.15Å; Y173-F176 PolarHBondContact O-N 3.43Å; Y173-I177 WeakPolarHBondContact O-CB 3.31Å; Y173-I177 VanDerWaalsContact O-CG1 3.32Å; Y173-I177 WeakPolarHBondContact O-CG1 3.47Å; Y173-I177 PolarHBondContact O-N 3.49Å
174D83.7Confident80.8Confident65 Ų6548.1 Ų48.135%0.34826%0.263SS..Hα-helixtrans-54.6-39.9-173.4-68-20.5000111.8K171 R172 I177 D178K171-D174 WeakPolarHBondContact O-CB 3.11Å; K171-D174 PolarHBondContact O-N 3.36Å; R172-D174 VanDerWaalsContact C-N 3.32Å; D174-I177 PolarHBondContact O-N 3.04Å; D174-D178 WeakPolarHBondContact O-CB 3.28Å; D174-D178 VanDerWaalsContact O-CG 3.26Å; D174-D178 PolarHBondContact O-N 3.4Å
175F83.8Confident81.1Confident44 Ų4449.9 Ų49.919%0.19327%0.267CS..Hα-helixtrans-61.9-53179.4177.2-109.4000113Q76 Y173 I177 D178 I179Q76-F175 HydrophobicContact CB-CD1 4.49Å; Q76-F175 HydrophobicContact CB-CD2 4.45Å; Q76-F175 HydrophobicContact CB-CE1 3.88Å; Q76-F175 HydrophobicContact CB-CE2 3.84Å; Q76-F175 HydrophobicContact CB-CZ 3.51Å; Q76-F175 VanDerWaalsContact CD-CD2 3.41Å; Q76-F175 HydrophobicContact CG-CD1 4.18Å; Q76-F175 HydrophobicContact CG-CD2 3.67Å; Q76-F175 HydrophobicContact CG-CE1 4.02Å; Q76-F175 HydrophobicContact CG-CE2 3.49Å; Q76-F175 VanDerWaalsContact CG-CE2 3.49Å; Q76-F175 HydrophobicContact CG-CG 4Å; Q76-F175 HydrophobicContact CG-CZ 3.66Å; Y173-F175 PolarHBondContact O-N 3.21Å; Y173-F175 VanDerWaalsContact O-N 3.15Å; F175-I177 VanDerWaalsContact C-N 3.34Å; F175-D178 PolarHBondContact O-N 3.16Å; F175-I179 HydrophobicContact CD1-CD1 4.16Å; F175-I179 HydrophobicContact CE1-CD1 3.54Å; F175-I179 HydrophobicContact CE2-CD1 3.98Å; F175-I179 HydrophobicContact CZ-CD1 3.45Å; F175-I179 VanDerWaalsContact CZ-CD1 3.45Å; F175-I179 HydrophobicContact CZ-CG1 4.45Å; F175-I179 PolarHBondContact O-N 3.12Å; F175-I179 VanDerWaalsContact O-N 3.16Å
176F85.2Confident81.7Confident3 Ų348.8 Ų48.81%0.01326%0.263CS..Hα-helixtrans-71.1-32.3-179.1-63.1-65.5000111.8F81 L111 L114 F115 Y173 D178 I179 F180F81-F176 HydrophobicContact CD1-CZ 4.31Å; L111-F176 HydrophobicContact CD1-CD2 3.53Å; L111-F176 HydrophobicContact CD1-CE2 3.7Å; L111-F176 HydrophobicContact CD2-CE2 4.33Å; L111-F176 HydrophobicContact CG-CD2 4.15Å; L111-F176 HydrophobicContact CG-CE2 3.9Å; L114-F176 HydrophobicContact CD2-CB 3.71Å; L114-F176 HydrophobicContact CG-CB 3.69Å; F115-F176 HydrophobicContact CB-CD1 4.45Å; F115-F176 HydrophobicContact CB-CE1 4.39Å; F115-F176 HydrophobicContact CD2-CD1 4.23Å; F115-F176 AromaticContact CD2-CE1 3.62Å; F115-F176 HydrophobicContact CD2-CE1 3.62Å; F115-F176 HydrophobicContact CD2-CZ 4.08Å; F115-F176 HydrophobicContact CE2-CE1 4.47Å; Y173-F176 PolarHBondContact O-N 3.43Å; F176-D178 VanDerWaalsContact C-N 3.34Å; F176-I179 PolarHBondContact O-N 2.84Å; F176-F180 VanDerWaalsContact O-CB 3.28Å; F176-F180 WeakPolarHBondContact O-CB 3.29Å; F176-F180 PolarHBondContact O-N 3.42Å
177I85.9Confident82.3Confident1 Ų148 Ų481%0.00524%0.239CC..Hα-helixtrans-62.4-43.3171.9-70.3171.4000110.2L114 M149 K165 V168 Y173 D174 F175 I179 F180 L181L114-I177 HydrophobicContact CD1-CG1 3.91Å; L114-I177 HydrophobicContact CD2-CD1 4.28Å; L114-I177 HydrophobicContact CD2-CG1 3.6Å; L114-I177 HydrophobicContact CG-CG1 4.36Å; M149-I177 HydrophobicContact CE-CD1 4.06Å; M149-I177 HydrophobicContact CE-CG1 4.18Å; M149-I177 HydrophobicContact CE-CG2 4.34Å; M149-I177 HydrophobicContact SD-CG1 4.5Å; K165-I177 HydrophobicContact CG-CG2 4.21Å; V168-I177 HydrophobicContact CB-CD1 4.37Å; V168-I177 HydrophobicContact CG1-CD1 4.03Å; V168-I177 HydrophobicContact CG2-CD1 3.38Å; Y173-I177 WeakPolarHBondContact O-CB 3.31Å; Y173-I177 VanDerWaalsContact O-CG1 3.32Å; Y173-I177 WeakPolarHBondContact O-CG1 3.47Å; Y173-I177 PolarHBondContact O-N 3.49Å; D174-I177 PolarHBondContact O-N 3.04Å; F175-I177 VanDerWaalsContact C-N 3.34Å; I177-I179 PolarHBondContact O-N 2.91Å; I177-F180 PolarHBondContact O-N 3.36Å; I177-L181 HydrophobicContact CG2-CD1 3.55Å; I177-L181 HydrophobicContact CG2-CG 3.91Å; I177-L181 WeakPolarHBondContact O-CB 3.49Å; I177-L181 VanDerWaalsContact O-CG 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.5Å; I177-L181 PolarHBondContact O-N 2.9Å
178D86Confident82.7Confident66 Ų6642.9 Ų42.935%0.35321%0.212SC..Hα-helixtrans-65.1-40.2180-78.9-21.7000112.1K165 D174 F175 F176 N182K165-D178 IonicContact NZ-OD1 3.06Å; K165-D178 PolarHBondContact NZ-OD1 3.32Å; D174-D178 WeakPolarHBondContact O-CB 3.28Å; D174-D178 VanDerWaalsContact O-CG 3.26Å; D174-D178 PolarHBondContact O-N 3.4Å; F175-D178 PolarHBondContact O-N 3.16Å; F176-D178 VanDerWaalsContact C-N 3.34Å; D178-N182 WeakPolarHBondContact O-CB 3.46Å; D178-N182 PolarHBondContact O-N 3.03Å; D178-N182 PolarHBondContact O-ND2 3.29Å
179I87.9Confident83.1Confident56 Ų5641.3 Ų41.329%0.28720%0.203SC..Hα-helixtrans-60.8-49172.3-66172.2000110.3F175 F176 I177 L181 N182 A183F175-I179 HydrophobicContact CD1-CD1 4.16Å; F175-I179 HydrophobicContact CE1-CD1 3.54Å; F175-I179 HydrophobicContact CE2-CD1 3.98Å; F175-I179 HydrophobicContact CZ-CD1 3.45Å; F175-I179 VanDerWaalsContact CZ-CD1 3.45Å; F175-I179 HydrophobicContact CZ-CG1 4.45Å; F175-I179 PolarHBondContact O-N 3.12Å; F175-I179 VanDerWaalsContact O-N 3.16Å; F176-I179 PolarHBondContact O-N 2.84Å; I177-I179 PolarHBondContact O-N 2.91Å; I179-L181 PolarHBondContact O-N 3.48Å; I179-N182 PolarHBondContact O-N 3.07Å; I179-A183 WeakPolarHBondContact O-CB 3.43Å; I179-A183 PolarHBondContact O-N 3.03Å
180F87.3Confident83.8Confident5 Ų541.4 Ų41.42%0.02220%0.204CC..Hα-helixtrans-61.7-43.8179.9175.3-109.2000112.6L117 L153 V161 F176 I177 N182 A183 T184L117-F180 HydrophobicContact CB-CD2 4.14Å; L117-F180 HydrophobicContact CB-CE2 4.16Å; L153-F180 HydrophobicContact CD2-CE2 3.92Å; L153-F180 HydrophobicContact CD2-CZ 3.95Å; V161-F180 HydrophobicContact CG1-CE1 3.76Å; F176-F180 VanDerWaalsContact O-CB 3.28Å; F176-F180 WeakPolarHBondContact O-CB 3.29Å; F176-F180 PolarHBondContact O-N 3.42Å; I177-F180 PolarHBondContact O-N 3.36Å; F180-N182 VanDerWaalsContact C-N 3.35Å; F180-N182 PolarHBondContact O-N 2.73Å; F180-A183 PolarHBondContact O-N 3.28Å; F180-T184 HydrophobicContact CD1-CG2 4.44Å; F180-T184 HydrophobicContact CD2-CG2 4.11Å; F180-T184 HydrophobicContact CE1-CG2 4.03Å; F180-T184 HydrophobicContact CE2-CG2 3.67Å; F180-T184 HydrophobicContact CG-CG2 4.48Å; F180-T184 HydrophobicContact CZ-CG2 3.63Å; F180-T184 WeakPolarHBondContact O-CG2 3.47Å; F180-T184 PolarHBondContact O-N 3.05Å; F180-T184 PolarHBondContact O-OG1 3.42Å
181L85.9Confident84.2Confident4 Ų443.8 Ų43.82%0.02122%0.22CC..Hα-helixtrans-66.6-36.4178.2-73.2177.3000112.4V161 F162 K165 I177 I179 T184 R185V161-L181 HydrophobicContact CG1-CD2 3.77Å; F162-L181 HydrophobicContact CD1-CD2 4.03Å; F162-L181 HydrophobicContact CE1-CB 4.34Å; F162-L181 HydrophobicContact CE1-CD1 4.5Å; F162-L181 HydrophobicContact CE1-CD2 3.94Å; F162-L181 HydrophobicContact CG-CD2 4.45Å; F162-L181 HydrophobicContact CZ-CD2 4.27Å; K165-L181 HydrophobicContact CB-CD1 4.03Å; K165-L181 HydrophobicContact CD-CD1 3.54Å; K165-L181 HydrophobicContact CG-CD1 3.92Å; I177-L181 HydrophobicContact CG2-CD1 3.55Å; I177-L181 HydrophobicContact CG2-CG 3.91Å; I177-L181 WeakPolarHBondContact O-CB 3.49Å; I177-L181 VanDerWaalsContact O-CG 3.23Å; I177-L181 WeakPolarHBondContact O-CG 3.5Å; I177-L181 PolarHBondContact O-N 2.9Å; I179-L181 PolarHBondContact O-N 3.48Å; L181-T184 VanDerWaalsContact CA-OG1 3.27Å; L181-T184 WeakPolarHBondContact CA-OG1 3.45Å; L181-T184 PolarHBondContact O-OG1 3.09Å; L181-T184 VanDerWaalsContact O-OG1 3.08Å; L181-R185 WeakPolarHBondContact O-CB 3.42Å; L181-R185 PolarHBondContact O-N 2.9Å
182N86.9Confident84.5Confident83 Ų8335.4 Ų35.444%0.44418%0.184SC..Hα-helixtrans-66.1-44.5172.9-73.2-33.9000110.8D178 I179 F180 R185 E186D178-N182 WeakPolarHBondContact O-CB 3.46Å; D178-N182 PolarHBondContact O-N 3.03Å; D178-N182 PolarHBondContact O-ND2 3.29Å; I179-N182 PolarHBondContact O-N 3.07Å; F180-N182 VanDerWaalsContact C-N 3.35Å; F180-N182 PolarHBondContact O-N 2.73Å; N182-R185 PolarHBondContact O-N 3.26Å; N182-R185 PolarHBondContact OD1-NH1 3.29Å; N182-E186 WeakPolarHBondContact O-CG 3.38Å; N182-E186 PolarHBondContact O-N 2.95Å
183A87.2Confident84.8Confident19 Ų1934.6 Ų34.616%0.15718%0.184CC..Hα-helixtrans-64.1-41178.500000113R120 I179 F180 E186 E187R120-A183 PolarHBondContact NH2-O 2.66Å; R120-A183 VanDerWaalsContact NH2-O 3.1Å; I179-A183 WeakPolarHBondContact O-CB 3.43Å; I179-A183 PolarHBondContact O-N 3.03Å; F180-A183 PolarHBondContact O-N 3.28Å; A183-E186 PolarHBondContact O-N 3.31Å; A183-E187 PolarHBondContact O-N 3.09Å
184T85.3Confident84.9Confident2 Ų241.1 Ų41.11%0.01221%0.214CC..Hα-helixtrans-70.9-37.6176.1500000111.7L153 F180 L181 E186 E187 V188L153-T184 HydrophobicContact CD1-CG2 3.78Å; F180-T184 HydrophobicContact CD1-CG2 4.44Å; F180-T184 HydrophobicContact CD2-CG2 4.11Å; F180-T184 HydrophobicContact CE1-CG2 4.03Å; F180-T184 HydrophobicContact CE2-CG2 3.67Å; F180-T184 HydrophobicContact CG-CG2 4.48Å; F180-T184 HydrophobicContact CZ-CG2 3.63Å; F180-T184 WeakPolarHBondContact O-CG2 3.47Å; F180-T184 PolarHBondContact O-N 3.05Å; F180-T184 PolarHBondContact O-OG1 3.42Å; L181-T184 VanDerWaalsContact CA-OG1 3.27Å; L181-T184 WeakPolarHBondContact CA-OG1 3.45Å; L181-T184 PolarHBondContact O-OG1 3.09Å; L181-T184 VanDerWaalsContact O-OG1 3.08Å; T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 PolarHBondContact O-N 3.45Å; T184-E187 WeakPolarHBondContact O-CB 3.46Å; T184-E187 PolarHBondContact O-N 3.03Å; T184-E187 VanDerWaalsContact O-N 3.09Å; T184-V188 WeakPolarHBondContact O-CG2 3.32Å; T184-V188 PolarHBondContact O-N 2.76Å
185R85.4Confident84.8Confident52 Ų5241.6 Ų41.620%0.19623%0.226CC..Hα-helixtrans-58.6-39.8172.2-176.5-175.4-70.6149.2-3.9111.8F162 L181 N182 E187 V188 A189F162-R185 HydrophobicContact CZ-CB 4.4Å; L181-R185 WeakPolarHBondContact O-CB 3.42Å; L181-R185 PolarHBondContact O-N 2.9Å; N182-R185 PolarHBondContact O-N 3.26Å; N182-R185 PolarHBondContact OD1-NH1 3.29Å; R185-E187 VanDerWaalsContact C-N 3.32Å; R185-V188 PolarHBondContact O-N 3.49Å; R185-A189 WeakPolarHBondContact O-CB 3.35Å; R185-A189 PolarHBondContact O-N 2.95Å
186E85.6Confident84.6Confident70 Ų7044 Ų4433%0.32724%0.235SC..Hα-helixtrans-66.2-33.4175.6-71.1-169.8170.100113N182 A183 T184 S190 R223N182-E186 WeakPolarHBondContact O-CG 3.38Å; N182-E186 PolarHBondContact O-N 2.95Å; A183-E186 PolarHBondContact O-N 3.31Å; T184-E186 VanDerWaalsContact C-N 3.26Å; T184-E186 PolarHBondContact O-N 3.45Å; E186-S190 PolarHBondContact O-N 3Å; E186-R223 IonicContact OE1-NH2 3.69Å; E186-R223 IonicContact OE2-NH2 3.41Å; E186-R223 PolarHBondContact OE2-NH2 2.85Å
187E84.9Confident84Confident60 Ų6048.7 Ų48.728%0.2826%0.257SS..Hα-helixtrans-69-45.6173-70.6174.1163.900111.6R120 A183 T184 R185 A189 S190 C191R120-E187 IonicContact CZ-OE1 3.96Å; R120-E187 IonicContact NE-OE1 2.69Å; R120-E187 PolarHBondContact NE-OE1 2.97Å; R120-E187 IonicContact NH1-OE1 2.78Å; R120-E187 IonicContact NH2-OE1 2.64Å; R120-E187 PolarHBondContact NH2-OE1 2.95Å; A183-E187 PolarHBondContact O-N 3.09Å; T184-E187 WeakPolarHBondContact O-CB 3.46Å; T184-E187 PolarHBondContact O-N 3.03Å; T184-E187 VanDerWaalsContact O-N 3.09Å; R185-E187 VanDerWaalsContact C-N 3.32Å; E187-A189 VanDerWaalsContact C-N 3.26Å; E187-A189 PolarHBondContact O-N 2.72Å; E187-S190 CarbonylContact O-C 3.59Å; E187-S190 WeakPolarHBondContact O-CB 3.39Å; E187-S190 PolarHBondContact O-N 2.92Å; E187-S190 VanDerWaalsContact O-N 3.09Å; E187-C191 PolarHBondContact O-N 3.05Å; E187-C191 PolarHBondContact O-SG 3.45Å
188V84Confident83.6Confident12 Ų1252.9 Ų52.97%0.07328%0.282CS..Hα-helixtrans-56-45.5173.8175.60000110.5F158 T184 R185 S190 C191 I192 L208F158-V188 HydrophobicContact CB-CG2 4.07Å; F158-V188 HydrophobicContact CD1-CG2 3.33Å; F158-V188 HydrophobicContact CD2-CG2 3.49Å; F158-V188 VanDerWaalsContact CD2-CG2 3.49Å; F158-V188 HydrophobicContact CE1-CG2 3.49Å; F158-V188 VanDerWaalsContact CE1-CG2 3.49Å; F158-V188 HydrophobicContact CE2-CG2 3.65Å; F158-V188 HydrophobicContact CG-CG2 3.32Å; F158-V188 HydrophobicContact CZ-CG2 3.65Å; T184-V188 WeakPolarHBondContact O-CG2 3.32Å; T184-V188 PolarHBondContact O-N 2.76Å; R185-V188 PolarHBondContact O-N 3.49Å; V188-S190 VanDerWaalsContact C-N 3.34Å; V188-S190 PolarHBondContact O-N 3.33Å; V188-C191 PolarHBondContact O-N 3.32Å; V188-I192 HydrophobicContact CG1-CD1 3.88Å; V188-I192 HydrophobicContact CG1-CG1 4.49Å; V188-I192 VanDerWaalsContact O-CG1 3.3Å; V188-I192 WeakPolarHBondContact O-CG1 3.46Å; V188-I192 PolarHBondContact O-N 3.29Å; V188-L208 HydrophobicContact CG1-CD2 4.4Å
189A83.4Confident83.1Confident0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-60.4-44176.800000111.9R185 E187 I192 E193 L208 F219 W225R185-A189 WeakPolarHBondContact O-CB 3.35Å; R185-A189 PolarHBondContact O-N 2.95Å; E187-A189 VanDerWaalsContact C-N 3.26Å; E187-A189 PolarHBondContact O-N 2.72Å; A189-I192 PolarHBondContact O-N 3.04Å; A189-E193 WeakPolarHBondContact O-CG 3.22Å; A189-E193 PolarHBondContact O-N 3.37Å; A189-L208 HydrophobicContact CB-CD2 4.17Å; A189-F219 HydrophobicContact CB-CE1 3.59Å; A189-F219 HydrophobicContact CB-CZ 3.95Å; A189-W225 HydrophobicContact CB-CZ2 4.27Å
190S85.1Confident82.7Confident44 Ų4449 Ų4931%0.30827%0.265SS..Hα-helixtrans-64-41.7175.6-166.50000111.8E186 E187 V188 I192 E193 H194E186-S190 PolarHBondContact O-N 3Å; E187-S190 CarbonylContact O-C 3.59Å; E187-S190 WeakPolarHBondContact O-CB 3.39Å; E187-S190 PolarHBondContact O-N 2.92Å; E187-S190 VanDerWaalsContact O-N 3.09Å; V188-S190 VanDerWaalsContact C-N 3.34Å; V188-S190 PolarHBondContact O-N 3.33Å; S190-I192 VanDerWaalsContact C-N 3.29Å; S190-I192 PolarHBondContact O-N 2.95Å; S190-E193 WeakPolarHBondContact O-CB 3.47Å; S190-E193 PolarHBondContact O-N 3.46Å; S190-H194 PolarHBondContact O-N 2.75Å; S190-H194 PolarHBondContact O-ND1 3.33Å
191C84.3Confident82Confident74 Ų7450 Ų5050%0.527%0.271SS..Hα-helixtrans-60.5-39.5174.7-68.30000111.9E187 V188 H194 A195E187-C191 PolarHBondContact O-N 3.05Å; E187-C191 PolarHBondContact O-SG 3.45Å; V188-C191 PolarHBondContact O-N 3.32Å; C191-H194 PolarHBondContact O-N 3.21Å; C191-A195 WeakPolarHBondContact O-CB 3.21Å; C191-A195 PolarHBondContact O-N 3.26Å
192I82.4Confident81.5Confident9 Ų958.1 Ų58.15%0.04631%0.306CS..Hα-helixtrans-63.5-45.2176.5-72.8166.9000111.2V188 A189 S190 H194 A195 Y196 L199 M207 L208 W225 F234V188-I192 HydrophobicContact CG1-CD1 3.88Å; V188-I192 HydrophobicContact CG1-CG1 4.49Å; V188-I192 VanDerWaalsContact O-CG1 3.3Å; V188-I192 WeakPolarHBondContact O-CG1 3.46Å; V188-I192 PolarHBondContact O-N 3.29Å; A189-I192 PolarHBondContact O-N 3.04Å; S190-I192 VanDerWaalsContact C-N 3.29Å; S190-I192 PolarHBondContact O-N 2.95Å; I192-H194 PolarHBondContact O-N 2.88Å; I192-A195 PolarHBondContact O-N 2.97Å; I192-Y196 HydrophobicContact CB-CD2 4.41Å; I192-Y196 HydrophobicContact CG1-CD2 4.47Å; I192-Y196 HydrophobicContact CG1-CE2 4.47Å; I192-Y196 HydrophobicContact CG2-CD2 4.05Å; I192-Y196 PolarHBondContact O-N 3.29Å; I192-L199 HydrophobicContact CG2-CD2 3.52Å; I192-M207 HydrophobicContact CD1-CB 4.07Å; I192-L208 HydrophobicContact CD1-CD2 3.96Å; I192-L208 HydrophobicContact CD1-CG 4.22Å; I192-W225 HydrophobicContact CG2-CH2 4.37Å; I192-F234 HydrophobicContact CG2-CE2 3.91Å; I192-F234 HydrophobicContact CG2-CZ 3.93Å
193E81.2Confident81.1Confident57 Ų5758.3 Ų58.327%0.26631%0.307SS..Hα-helixtrans-58.4-33177.1-72.1168.7-176.400112.6A189 S190 W225 F234A189-E193 WeakPolarHBondContact O-CG 3.22Å; A189-E193 PolarHBondContact O-N 3.37Å; S190-E193 WeakPolarHBondContact O-CB 3.47Å; S190-E193 PolarHBondContact O-N 3.46Å; E193-W225 HydrophobicContact CG-CZ2 3.93Å; E193-W225 PolarHBondContact OE1-NE1 2.98Å; E193-F234 HydrophobicContact CB-CD1 4.12Å; E193-F234 HydrophobicContact CB-CE1 4.3Å; E193-F234 HydrophobicContact CG-CD1 3.83Å; E193-F234 HydrophobicContact CG-CE1 3.63Å; E193-F234 HydrophobicContact CG-CZ 4.46Å
194H82.3Confident80.4Confident138 Ų13857.4 Ų57.464%0.63930%0.299SS*.Hα-helixtrans-87.2-32179.3-69.283.3000113.4S190 C191 I192S190-H194 PolarHBondContact O-N 2.75Å; S190-H194 PolarHBondContact O-ND1 3.33Å; C191-H194 PolarHBondContact O-N 3.21Å; I192-H194 PolarHBondContact O-N 2.88Å
195A81Confident79.9Confident74 Ų7457.9 Ų57.961%0.61230%0.302SS*.Hα-helixtrans-85.2-38.3-173.700000113.2C191 I192C191-A195 WeakPolarHBondContact O-CB 3.21Å; C191-A195 PolarHBondContact O-N 3.26Å; I192-A195 PolarHBondContact O-N 2.97Å
196Y78.5Confident79.5Confident96 Ų9659.2 Ų59.238%0.37632%0.318SS..  trans-105.5140.3-173.3-65.1-81.1000111.6I192 L199 M207 F234I192-Y196 HydrophobicContact CB-CD2 4.41Å; I192-Y196 HydrophobicContact CG1-CD2 4.47Å; I192-Y196 HydrophobicContact CG1-CE2 4.47Å; I192-Y196 HydrophobicContact CG2-CD2 4.05Å; I192-Y196 PolarHBondContact O-N 3.29Å; Y196-L199 HydrophobicContact CD1-CD1 4.4Å; Y196-L199 HydrophobicContact CG-CD1 4.4Å; Y196-M207 HydrophobicContact CE2-CE 4.44Å; Y196-M207 HydrophobicContact CE2-SD 4.18Å; Y196-M207 WeakPolarHBondContact OH-CE 3.1Å; Y196-F234 WeakPolarHBondContact O-CB 3.24Å; Y196-F234 VanDerWaalsContact O-CD2 3.26Å; Y196-F234 WeakPolarHBondContact O-CD2 3.15Å
197E73.9Confident78.9Confident101 Ų10159 Ų5947%0.47232%0.318SS..SBendtrans-90-37.7171.8-62.9178.4-151.900111I233 F234 K236E197-I233 WeakPolarHBondContact O-CA 3.44Å; E197-F234 PolarHBondContact O-N 2.91Å; E197-K236 HydrophobicContact CG-CG 4.34Å; E197-K236 WeakPolarHBondContact OE1-CE 3.21Å; E197-K236 IonicContact OE1-NZ 2.74Å; E197-K236 PolarHBondContact OE1-NZ 3.09Å; E197-K236 WeakPolarHBondContact OE2-CE 3.11Å; E197-K236 IonicContact OE2-NZ 2.69Å; E197-K236 PolarHBondContact OE2-NZ 2.97Å
198T76.2Confident78.3Confident88 Ų8856.2 Ų56.254%0.5431%0.305SS..EExtended strand (participates in β ladder)trans-136133174.453.60000108.7T231 F232 I233T198-T231 HydrophobicContact CG2-CG2 4.39Å; T198-F232 CarbonylContact C-O 3.54Å; T198-F232 VanDerWaalsContact CA-O 3.25Å; T198-F232 WeakPolarHBondContact CA-O 3.38Å; T198-I233 HydrophobicContact CG2-CG1 4.31Å
199L76.6Confident77.6Confident5 Ų558.1 Ų58.13%0.02631%0.312CS..EExtended strand (participates in β ladder)trans-132.1125.5177.1-175.965.8000110.2I192 Y196 D203 A204 M207 T231 F232 F234I192-L199 HydrophobicContact CG2-CD2 3.52Å; Y196-L199 HydrophobicContact CD1-CD1 4.4Å; Y196-L199 HydrophobicContact CG-CD1 4.4Å; L199-D203 HydrophobicContact CD1-CB 3.93Å; L199-A204 HydrophobicContact CD2-CB 3.62Å; L199-A204 HydrophobicContact CG-CB 4.02Å; L199-M207 HydrophobicContact CD1-SD 4.31Å; L199-T231 CarbonylContact O-C 3.29Å; L199-T231 WeakPolarHBondContact O-CA 3.45Å; L199-T231 WeakPolarHBondContact O-CG2 3.46Å; L199-F232 PolarHBondContact N-O 2.8Å; L199-F232 PolarHBondContact O-N 3.13Å; L199-F234 HydrophobicContact CB-CE2 3.96Å
200S78.7Confident76.9Confident35 Ų3559.4 Ų59.425%0.24532%0.318CS..EExtended strand (participates in β ladder)trans-71.9147.6176.991.30000110.5K202 D203 A204S200-K202 PolarHBondContact O-N 3.07Å; S200-K202 PolarHBondContact OG-N 2.75Å; S200-D203 PolarHBondContact O-N 3.27Å; S200-D203 PolarHBondContact OG-N 3.18Å; S200-D203 PolarHBondContact OG-OD2 3.06Å; S200-A204 WeakPolarHBondContact O-CB 3.4Å; S200-A204 PolarHBondContact O-N 3.19Å
201L72.4Confident75.9Confident27 Ų2763.2 Ų63.214%0.14134%0.344CS..Hα-helixtrans-56.8-33.8175.3-174.868.3000112.2D203 A204 T205 N213 T216 G230 F232L201-D203 VanDerWaalsContact C-N 3.33Å; L201-D203 PolarHBondContact O-N 2.93Å; L201-A204 PolarHBondContact O-N 2.57Å; L201-T205 PolarHBondContact O-N 2.76Å; L201-T205 PolarHBondContact O-OG1 3.24Å; L201-N213 HydrophobicContact CD2-CB 4.27Å; L201-T216 HydrophobicContact CD1-CG2 3.96Å; L201-G230 PolarHBondContact N-O 2.76Å; L201-F232 HydrophobicContact CD1-CE2 3.91Å; L201-F232 HydrophobicContact CD1-CZ 4.08Å
202K75.9Confident75.1Confident174 Ų17461.9 Ų61.976%0.75734%0.335SS*.Hα-helixtrans-67.4-32.9-178.5-66.5-176.5179.9178.80112.8S200 P206S200-K202 PolarHBondContact O-N 3.07Å; S200-K202 PolarHBondContact OG-N 2.75Å; K202-P206 WeakPolarHBondContact O-CD 3.44Å
203D78.6Confident74.3Confident87 Ų8765.1 Ų65.147%0.46535%0.353SS..Hα-helixtrans-87.8-32179-54.5-44.1000111.2L199 S200 L201 P206 M207L199-D203 HydrophobicContact CD1-CB 3.93Å; S200-D203 PolarHBondContact O-N 3.27Å; S200-D203 PolarHBondContact OG-N 3.18Å; S200-D203 PolarHBondContact OG-OD2 3.06Å; L201-D203 VanDerWaalsContact C-N 3.33Å; L201-D203 PolarHBondContact O-N 2.93Å; D203-P206 VanDerWaalsContact O-CD 3.28Å; D203-P206 WeakPolarHBondContact O-CD 3.32Å; D203-P206 WeakPolarHBondContact O-CG 3.3Å; D203-M207 WeakPolarHBondContact O-CB 3.47Å; D203-M207 VanDerWaalsContact O-CG 3.27Å; D203-M207 WeakPolarHBondContact O-CG 3.47Å; D203-M207 PolarHBondContact O-N 2.8Å
204A73.2Confident73.8Confident0 Ų067.3 Ų67.30%037%0.366CS..Hα-helixtrans-64.1-39.617700000113L199 S200 L201 M207 L208 T216 F232L199-A204 HydrophobicContact CD2-CB 3.62Å; L199-A204 HydrophobicContact CG-CB 4.02Å; S200-A204 WeakPolarHBondContact O-CB 3.4Å; S200-A204 PolarHBondContact O-N 3.19Å; L201-A204 PolarHBondContact O-N 2.57Å; A204-M207 PolarHBondContact O-N 3.12Å; A204-L208 WeakPolarHBondContact O-CB 3.31Å; A204-L208 PolarHBondContact O-N 2.96Å; A204-T216 HydrophobicContact CB-CG2 4.18Å; A204-F232 HydrophobicContact CB-CD2 4.34Å; A204-F232 HydrophobicContact CB-CE2 4.17Å
205T73.9Confident73.3Confident12 Ų1264.9 Ų64.97%0.07436%0.356CS..Hα-helixtrans-59.1-52.5-178.2-61.20000113.7L201 L208 F209 F210 N213 T216L201-T205 PolarHBondContact O-N 2.76Å; L201-T205 PolarHBondContact O-OG1 3.24Å; T205-L208 PolarHBondContact O-N 2.99Å; T205-F209 PolarHBondContact O-N 3.5Å; T205-F210 HydrophobicContact CG2-CB 4.31Å; T205-F210 VanDerWaalsContact CG2-O 3.27Å; T205-F210 WeakPolarHBondContact CG2-O 3.45Å; T205-F210 PolarHBondContact O-N 3.17Å; T205-F210 VanDerWaalsContact O-N 3.15Å; T205-N213 PolarHBondContact OG1-OD1 2.71Å; T205-T216 PolarHBondContact OG1-OG1 2.85Å
206P76.3Confident72.6Confident81 Ų8161.4 Ų61.453%0.52633%0.326SS..Hα-helixtrans-68.3-32.3175.726.6-34.1000112.8K202 D203 F209K202-P206 WeakPolarHBondContact O-CD 3.44Å; D203-P206 VanDerWaalsContact O-CD 3.28Å; D203-P206 WeakPolarHBondContact O-CD 3.32Å; D203-P206 WeakPolarHBondContact O-CG 3.3Å; P206-F209 PolarHBondContact O-N 2.86Å
207M74.4Confident72.2Confident66 Ų6661 Ų6133%0.32533%0.327SS..Hα-helixtrans-67.2-34.2177.1-75.2-176.2-177.600113.2I192 Y196 L199 D203 A204 F209I192-M207 HydrophobicContact CD1-CB 4.07Å; Y196-M207 HydrophobicContact CE2-CE 4.44Å; Y196-M207 HydrophobicContact CE2-SD 4.18Å; Y196-M207 WeakPolarHBondContact OH-CE 3.1Å; L199-M207 HydrophobicContact CD1-SD 4.31Å; D203-M207 WeakPolarHBondContact O-CB 3.47Å; D203-M207 VanDerWaalsContact O-CG 3.27Å; D203-M207 WeakPolarHBondContact O-CG 3.47Å; D203-M207 PolarHBondContact O-N 2.8Å; A204-M207 PolarHBondContact O-N 3.12Å; M207-F209 WeakPolarHBondContact O-CD2 3.43Å; M207-F209 WeakPolarHBondContact O-CE2 3.42Å
208L72.9Confident72.1Confident1 Ų161.8 Ų61.81%0.00533%0.333CS..THydrogen-bonded Turntrans-92.12.5177.2-68.4170.2000113.5V188 A189 I192 A204 T205 F210 T216 F219 W225V188-L208 HydrophobicContact CG1-CD2 4.4Å; A189-L208 HydrophobicContact CB-CD2 4.17Å; I192-L208 HydrophobicContact CD1-CD2 3.96Å; I192-L208 HydrophobicContact CD1-CG 4.22Å; A204-L208 WeakPolarHBondContact O-CB 3.31Å; A204-L208 PolarHBondContact O-N 2.96Å; T205-L208 PolarHBondContact O-N 2.99Å; L208-F210 HydrophobicContact CB-CD2 3.55Å; L208-F210 HydrophobicContact CB-CE2 3.72Å; L208-F210 HydrophobicContact CD1-CD2 4.36Å; L208-F210 HydrophobicContact CD1-CE2 4.15Å; L208-F210 HydrophobicContact CG-CE2 4.5Å; L208-F210 PolarHBondContact O-N 3.34Å; L208-T216 HydrophobicContact CD1-CG2 4.03Å; L208-F219 HydrophobicContact CD1-CD1 4.43Å; L208-W225 HydrophobicContact CD1-CH2 4.03Å; L208-W225 HydrophobicContact CD1-CZ3 4.09Å
209F69Low71.8Confident52 Ų5258.7 Ų58.723%0.22831%0.312CS..THydrogen-bonded Turntrans58.429.9-179.9-57.7-84.9000114.6F158 H159 F162 T205 P206 M207F158-F209 HydrophobicContact CB-CE2 3.8Å; F158-F209 HydrophobicContact CB-CZ 4.1Å; H159-F209 HydrophobicContact CB-CE1 3.96Å; H159-F209 HydrophobicContact CB-CZ 3.92Å; H159-F209 AromaticContact ND1-CE1 3.53Å; F162-F209 HydrophobicContact CB-CD1 4.04Å; F162-F209 HydrophobicContact CB-CE1 4.33Å; F162-F209 HydrophobicContact CB-CG 4.31Å; F162-F209 HydrophobicContact CD1-CB 4.19Å; F162-F209 HydrophobicContact CD1-CG 4.32Å; F162-F209 HydrophobicContact CD2-CB 4.1Å; F162-F209 AromaticContact CD2-CD1 3.83Å; F162-F209 HydrophobicContact CD2-CD1 3.83Å; F162-F209 AromaticContact CD2-CD2 3.18Å; F162-F209 HydrophobicContact CD2-CD2 3.18Å; F162-F209 HydrophobicContact CD2-CE1 4.04Å; F162-F209 AromaticContact CD2-CE2 3.43Å; F162-F209 HydrophobicContact CD2-CE2 3.43Å; F162-F209 VanDerWaalsContact CD2-CE2 3.43Å; F162-F209 AromaticContact CD2-CG 3.41Å; F162-F209 HydrophobicContact CD2-CG 3.41Å; F162-F209 VanDerWaalsContact CD2-CG 3.41Å; F162-F209 AromaticContact CD2-CZ 3.87Å; F162-F209 HydrophobicContact CD2-CZ 3.87Å; F162-F209 HydrophobicContact CE1-CB 4.29Å; F162-F209 HydrophobicContact CE2-CB 4.22Å; F162-F209 AromaticContact CE2-CD2 3.17Å; F162-F209 HydrophobicContact CE2-CD2 3.17Å; F162-F209 AromaticContact CE2-CE2 3.6Å; F162-F209 HydrophobicContact CE2-CE2 3.6Å; F162-F209 AromaticContact CE2-CG 3.74Å; F162-F209 HydrophobicContact CE2-CG 3.74Å; F162-F209 HydrophobicContact CE2-CZ 4.47Å; F162-F209 HydrophobicContact CG-CB 4.1Å; F162-F209 AromaticContact CG-CD1 3.98Å; F162-F209 HydrophobicContact CG-CD1 3.98Å; F162-F209 HydrophobicContact CG-CD2 4.01Å; F162-F209 HydrophobicContact CG-CE1 4.45Å; F162-F209 HydrophobicContact CG-CE2 4.47Å; F162-F209 AromaticContact CG-CG 3.74Å; F162-F209 HydrophobicContact CG-CG 3.74Å; F162-F209 HydrophobicContact CZ-CB 4.32Å; F162-F209 AromaticContact CZ-CD2 3.97Å; F162-F209 HydrophobicContact CZ-CD2 3.97Å; F162-F209 HydrophobicContact CZ-CG 4.33Å; T205-F209 PolarHBondContact O-N 3.5Å; P206-F209 PolarHBondContact O-N 2.86Å; M207-F209 WeakPolarHBondContact O-CD2 3.43Å; M207-F209 WeakPolarHBondContact O-CE2 3.42Å
210F67.8Low71.5Confident27 Ų2758.6 Ų58.612%0.11831%0.313CS..  trans-83140.3173.2-71.2-60.2000110.6T205 L208 S212 E215 T216 F219T205-F210 HydrophobicContact CG2-CB 4.31Å; T205-F210 VanDerWaalsContact CG2-O 3.27Å; T205-F210 WeakPolarHBondContact CG2-O 3.45Å; T205-F210 PolarHBondContact O-N 3.17Å; T205-F210 VanDerWaalsContact O-N 3.15Å; L208-F210 HydrophobicContact CB-CD2 3.55Å; L208-F210 HydrophobicContact CB-CE2 3.72Å; L208-F210 HydrophobicContact CD1-CD2 4.36Å; L208-F210 HydrophobicContact CD1-CE2 4.15Å; L208-F210 HydrophobicContact CG-CE2 4.5Å; L208-F210 PolarHBondContact O-N 3.34Å; F210-S212 VanDerWaalsContact C-N 3.31Å; F210-E215 HydrophobicContact CB-CB 4.11Å; F210-E215 HydrophobicContact CD1-CB 3.35Å; F210-E215 HydrophobicContact CD1-CG 4.27Å; F210-E215 WeakPolarHBondContact CD1-OE2 3.32Å; F210-E215 HydrophobicContact CE1-CB 3.82Å; F210-E215 HydrophobicContact CG-CB 3.75Å; F210-T216 HydrophobicContact CD2-CG2 4.43Å; F210-T216 WeakPolarHBondContact CD2-OG1 3.33Å; F210-F219 HydrophobicContact CE2-CB 3.82Å; F210-F219 HydrophobicContact CE2-CD1 4.44Å; F210-F219 HydrophobicContact CE2-CG 4.04Å; F210-F219 HydrophobicContact CZ-CB 3.77Å; F210-F219 HydrophobicContact CZ-CD2 4.08Å; F210-F219 AromaticContact CZ-CG 3.94Å; F210-F219 HydrophobicContact CZ-CG 3.94Å
211S64.1Low71.2Confident124 Ų12463.8 Ų63.887%0.86733%0.333SS*.SBendtrans-79.8-21.7174.1-63.80000111.4E215S211-E215 PolarHBondContact N-OE2 3.45Å
212S67.9Low71.4Confident45 Ų4570 Ų7032%0.31536%0.359SS..SBendtrans-129.8135-176.1-177.20000111.9F210 N214 E215 T216F210-S212 VanDerWaalsContact C-N 3.31Å; S212-N214 PolarHBondContact O-N 3.16Å; S212-N214 PolarHBondContact OG-N 2.58Å; S212-E215 PolarHBondContact O-N 2.75Å; S212-T216 PolarHBondContact O-N 3.34Å
213N65.9Low71Confident78 Ų7865.6 Ų65.642%0.41734%0.338SS..Hα-helixtrans-54.1-24.5171.8-66.2-9.2000112.6L201 T205 K217L201-N213 HydrophobicContact CD2-CB 4.27Å; T205-N213 PolarHBondContact OG1-OD1 2.71Å; N213-K217 WeakPolarHBondContact O-CG 3.38Å; N213-K217 PolarHBondContact O-N 3.48Å
214N70.6Confident70.6Confident102 Ų10265.3 Ų65.355%0.54535%0.347SS..Hα-helixtrans-72.1-37.2178.6-67.4-18000112.5S212 T216 K217 L218S212-N214 PolarHBondContact O-N 3.16Å; S212-N214 PolarHBondContact OG-N 2.58Å; N214-T216 VanDerWaalsContact C-N 3.31Å; N214-K217 PolarHBondContact O-N 3.29Å; N214-L218 PolarHBondContact O-N 3.36Å
215E71.6Confident70.6Confident88 Ų8866.5 Ų66.541%0.41135%0.352SS..Hα-helixtrans-67.4-37.6176.7-62.8174.6153.100110.6F210 S211 S212 K217 L218 F219F210-E215 HydrophobicContact CB-CB 4.11Å; F210-E215 HydrophobicContact CD1-CB 3.35Å; F210-E215 HydrophobicContact CD1-CG 4.27Å; F210-E215 WeakPolarHBondContact CD1-OE2 3.32Å; F210-E215 HydrophobicContact CE1-CB 3.82Å; F210-E215 HydrophobicContact CG-CB 3.75Å; S211-E215 PolarHBondContact N-OE2 3.45Å; S212-E215 PolarHBondContact O-N 2.75Å; E215-K217 VanDerWaalsContact C-N 3.3Å; E215-K217 PolarHBondContact O-N 3.45Å; E215-L218 PolarHBondContact O-N 2.87Å; E215-F219 WeakPolarHBondContact O-CB 3.41Å; E215-F219 PolarHBondContact O-N 3.22Å
216T66.3Low70.4Confident0 Ų071.1 Ų71.10%038%0.376CS..Hα-helixtrans-60.1-40.3173.2-46.70000111.5L201 A204 T205 L208 F210 S212 N214 F219 A220 F232L201-T216 HydrophobicContact CD1-CG2 3.96Å; A204-T216 HydrophobicContact CB-CG2 4.18Å; T205-T216 PolarHBondContact OG1-OG1 2.85Å; L208-T216 HydrophobicContact CD1-CG2 4.03Å; F210-T216 HydrophobicContact CD2-CG2 4.43Å; F210-T216 WeakPolarHBondContact CD2-OG1 3.33Å; S212-T216 PolarHBondContact O-N 3.34Å; N214-T216 VanDerWaalsContact C-N 3.31Å; T216-F219 PolarHBondContact O-N 2.98Å; T216-A220 VanDerWaalsContact O-CB 3.25Å; T216-A220 WeakPolarHBondContact O-CB 3.3Å; T216-A220 PolarHBondContact O-N 2.75Å; T216-F232 HydrophobicContact CG2-CE2 4.42Å
217K69.2Low69.8Low88 Ų8871.6 Ų71.638%0.38337%0.373SS..Hα-helixtrans-66.5-46.8176.4-72.9179.1-179.5-177.10112.6N213 N214 E215 F219 A220 E221N213-K217 WeakPolarHBondContact O-CG 3.38Å; N213-K217 PolarHBondContact O-N 3.48Å; N214-K217 PolarHBondContact O-N 3.29Å; E215-K217 VanDerWaalsContact C-N 3.3Å; E215-K217 PolarHBondContact O-N 3.45Å; K217-F219 VanDerWaalsContact C-N 3.26Å; K217-F219 PolarHBondContact O-N 2.97Å; K217-A220 WeakPolarHBondContact O-CB 3.46Å; K217-A220 PolarHBondContact O-N 3.15Å; K217-E221 WeakPolarHBondContact O-CG 3.24Å; K217-E221 PolarHBondContact O-N 3.48Å
218L72.7Confident69.1Low117 Ų11773.2 Ų73.261%0.61338%0.383SS*.Hα-helixtrans-59.1-39.9176.4-76163.6000111.8N214 E215 K222N214-L218 PolarHBondContact O-N 3.36Å; E215-L218 PolarHBondContact O-N 2.87Å; L218-K222 PolarHBondContact O-N 3.07Å
219F69.4Low68.7Low23 Ų2380.8 Ų80.810%0.10142%0.423CS..Hα-helixtrans-69-40.8176.5-169.5-93.4000112.1A189 L208 F210 E215 T216 K217 K222 R223A189-F219 HydrophobicContact CB-CE1 3.59Å; A189-F219 HydrophobicContact CB-CZ 3.95Å; L208-F219 HydrophobicContact CD1-CD1 4.43Å; F210-F219 HydrophobicContact CE2-CB 3.82Å; F210-F219 HydrophobicContact CE2-CD1 4.44Å; F210-F219 HydrophobicContact CE2-CG 4.04Å; F210-F219 HydrophobicContact CZ-CB 3.77Å; F210-F219 HydrophobicContact CZ-CD2 4.08Å; F210-F219 AromaticContact CZ-CG 3.94Å; F210-F219 HydrophobicContact CZ-CG 3.94Å; E215-F219 WeakPolarHBondContact O-CB 3.41Å; E215-F219 PolarHBondContact O-N 3.22Å; T216-F219 PolarHBondContact O-N 2.98Å; K217-F219 VanDerWaalsContact C-N 3.26Å; K217-F219 PolarHBondContact O-N 2.97Å; F219-K222 PolarHBondContact O-N 3.14Å; F219-R223 HydrophobicContact CD1-CG 4.47Å; F219-R223 HydrophobicContact CE1-CG 4.05Å; F219-R223 HydrophobicContact CZ-CG 4.41Å; F219-R223 PolarHBondContact O-N 3.14Å; F219-R223 VanDerWaalsContact O-N 3.11Å
220A71Confident68.5Low4 Ų479.8 Ų79.83%0.03343%0.428CS..Hα-helixtrans-63.1-39.2174.500000112.3T216 K217 R223 A224 W225 F232T216-A220 VanDerWaalsContact O-CB 3.25Å; T216-A220 WeakPolarHBondContact O-CB 3.3Å; T216-A220 PolarHBondContact O-N 2.75Å; K217-A220 WeakPolarHBondContact O-CB 3.46Å; K217-A220 PolarHBondContact O-N 3.15Å; A220-R223 CarbonylContact O-C 3.49Å; A220-R223 PolarHBondContact O-N 2.86Å; A220-A224 PolarHBondContact O-N 3.28Å; A220-W225 HydrophobicContact CB-CB 4.13Å; A220-W225 HydrophobicContact CB-CD2 4.19Å; A220-W225 HydrophobicContact CB-CE3 3.74Å; A220-W225 HydrophobicContact CB-CG 4.39Å; A220-W225 PolarHBondContact O-N 3.33Å; A220-F232 HydrophobicContact CB-CD1 4.34Å; A220-F232 HydrophobicContact CB-CE1 3.38Å; A220-F232 HydrophobicContact CB-CZ 3.54Å
221E71.9Confident68.6Low144 Ų14480.8 Ų80.867%0.67344%0.436SS*.Hα-helixtrans-63.9-43.8173.4-75175.2-178.800111.4K217 R223 A224K217-E221 WeakPolarHBondContact O-CG 3.24Å; K217-E221 PolarHBondContact O-N 3.48Å; E221-R223 PolarHBondContact O-N 3.42Å; E221-A224 PolarHBondContact O-N 2.99Å
222K76.1Confident68.8Low157 Ų15775 Ų7568%0.68340%0.395SS*.Hα-helixtrans-59.3-33.8176.2-171.6-176.7178.7-1690112.5L218 F219L218-K222 PolarHBondContact O-N 3.07Å; F219-K222 PolarHBondContact O-N 3.14Å
223R68.8Low68.9Low82 Ų8276.2 Ų76.231%0.30940%0.398SS..THydrogen-bonded Turntrans-90.4-2.2177.2-70.9-78.7173.9168.8-6.9113.7E186 F219 A220 E221 W225E186-R223 IonicContact OE1-NH2 3.69Å; E186-R223 IonicContact OE2-NH2 3.41Å; E186-R223 PolarHBondContact OE2-NH2 2.85Å; F219-R223 HydrophobicContact CD1-CG 4.47Å; F219-R223 HydrophobicContact CE1-CG 4.05Å; F219-R223 HydrophobicContact CZ-CG 4.41Å; F219-R223 PolarHBondContact O-N 3.14Å; F219-R223 VanDerWaalsContact O-N 3.11Å; A220-R223 CarbonylContact O-C 3.49Å; A220-R223 PolarHBondContact O-N 2.86Å; E221-R223 PolarHBondContact O-N 3.42Å; R223-W225 VanDerWaalsContact C-N 3.35Å; R223-W225 HydrophobicContact CB-CG 4.32Å; R223-W225 PolarHBondContact O-N 3.42Å
224A70.8Confident69.1Low80 Ų8073.3 Ų73.366%0.66138%0.381SS*.THydrogen-bonded Turntrans56.940.5-175.200000114.2A220 E221A220-A224 PolarHBondContact O-N 3.28Å; E221-A224 PolarHBondContact O-N 2.99Å
225W72.3Confident68.8Low26 Ų2673.3 Ų73.310%0.09839%0.387CS..  trans-70.4135.3173.7-66.1-4.3000111.2A189 I192 E193 L208 A220 R223 L227 F232 F234A189-W225 HydrophobicContact CB-CZ2 4.27Å; I192-W225 HydrophobicContact CG2-CH2 4.37Å; E193-W225 HydrophobicContact CG-CZ2 3.93Å; E193-W225 PolarHBondContact OE1-NE1 2.98Å; L208-W225 HydrophobicContact CD1-CH2 4.03Å; L208-W225 HydrophobicContact CD1-CZ3 4.09Å; A220-W225 HydrophobicContact CB-CB 4.13Å; A220-W225 HydrophobicContact CB-CD2 4.19Å; A220-W225 HydrophobicContact CB-CE3 3.74Å; A220-W225 HydrophobicContact CB-CG 4.39Å; A220-W225 PolarHBondContact O-N 3.33Å; R223-W225 VanDerWaalsContact C-N 3.35Å; R223-W225 HydrophobicContact CB-CG 4.32Å; R223-W225 PolarHBondContact O-N 3.42Å; W225-L227 PolarHBondContact O-N 2.77Å; W225-F232 HydrophobicContact CB-CD1 3.76Å; W225-F232 HydrophobicContact CB-CE1 4.18Å; W225-F232 HydrophobicContact CD2-CD1 4.5Å; W225-F232 HydrophobicContact CE3-CB 4.47Å; W225-F232 AromaticContact CE3-CD1 3.85Å; W225-F232 HydrophobicContact CE3-CD1 3.85Å; W225-F232 HydrophobicContact CE3-CD2 4.01Å; W225-F232 HydrophobicContact CE3-CE1 4.02Å; W225-F232 HydrophobicContact CE3-CE2 4.16Å; W225-F232 AromaticContact CE3-CG 3.84Å; W225-F232 HydrophobicContact CE3-CG 3.84Å; W225-F232 HydrophobicContact CE3-CZ 4.16Å; W225-F232 HydrophobicContact CZ3-CD2 4.27Å; W225-F232 HydrophobicContact CZ3-CE2 4.37Å; W225-F234 AromaticContact CD1-CE1 3.86Å; W225-F234 AromaticContact CD2-CE1 3.61Å; W225-F234 HydrophobicContact CD2-CE1 3.61Å; W225-F234 AromaticContact CD2-CZ 3.89Å; W225-F234 HydrophobicContact CD2-CZ 3.89Å; W225-F234 AromaticContact CE2-CE1 3.51Å; W225-F234 AromaticContact CE2-CZ 3.93Å; W225-F234 HydrophobicContact CE3-CE1 4.14Å; W225-F234 AromaticContact CE3-CZ 3.93Å; W225-F234 HydrophobicContact CE3-CZ 3.93Å; W225-F234 AromaticContact CG-CE1 3.84Å; W225-F234 HydrophobicContact CG-CE1 3.84Å; W225-F234 HydrophobicContact CG-CZ 4.5Å; W225-F234 HydrophobicContact CH2-CE1 4.44Å; W225-F234 HydrophobicContact CH2-CZ 4.05Å; W225-F234 AromaticContact CZ2-CE1 3.95Å; W225-F234 HydrophobicContact CZ2-CE1 3.95Å; W225-F234 HydrophobicContact CZ2-CZ 4.01Å; W225-F234 HydrophobicContact CZ3-CZ 4.02Å; W225-F234 AromaticContact NE1-CE1 3.67Å
226N69Low68.2Low108 Ų10874.8 Ų74.858%0.57839%0.392SS*.EExtended strand (participates in β ladder)trans-76106176.3-68.4-29.1000109.7I233N226-I233 PolarHBondContact O-N 3.41Å
227L64.5Low67.7Low91 Ų9182.7 Ų82.748%0.47643%0.429SS..EExtended strand (participates in β ladder)trans-84.9114.4172.4-170.690.5000109.3W225 F232W225-L227 PolarHBondContact O-N 2.77Å; L227-F232 HydrophobicContact CB-CD1 4.49Å; L227-F232 HydrophobicContact CB-CE1 4.28Å; L227-F232 HydrophobicContact CD1-CD1 3.92Å; L227-F232 HydrophobicContact CD1-CE1 3.38Å; L227-F232 HydrophobicContact CD1-CZ 3.74Å; L227-F232 HydrophobicContact CG-CE1 4.46Å
228L60Low66.8Low100 Ų10087.7 Ų87.752%0.52445%0.45SS..EExtended strand (participates in β ladder)trans-122.4113.4173.4-132.5154.8000108.2G230 T231 I233L228-G230 VanDerWaalsContact C-N 3.25Å; L228-G230 PolarHBondContact O-N 3.01Å; L228-G230 VanDerWaalsContact O-N 3.08Å; L228-T231 PolarHBondContact N-O 3.12Å; L228-T231 PolarHBondContact O-N 3.47Å; L228-T231 VanDerWaalsContact O-O 3.08Å; L228-I233 HydrophobicContact CB-CD1 3.93Å; L228-I233 HydrophobicContact CB-CG1 4.49Å; L228-I233 HydrophobicContact CD1-CD1 3.91Å
229D63.8Low65.8Low160 Ų16090.2 Ų90.286%0.85646%0.456SS*.THydrogen-bonded Turntrans45.242.2179.4-64.1-33000115.4T231D229-T231 VanDerWaalsContact C-N 3.34Å
230G65.1Low64.9Low31 Ų3199.1 Ų99.132%0.3249%0.489SS..THydrogen-bonded Turntrans82.18.1177.700000115.3L201 L228L201-G230 PolarHBondContact N-O 2.76Å; L228-G230 VanDerWaalsContact C-N 3.25Å; L228-G230 PolarHBondContact O-N 3.01Å; L228-G230 VanDerWaalsContact O-N 3.08Å
231T69.9Low64.1Low49 Ų49103.4 Ų103.430%0.30153%0.525SS..EExtended strand (participates in β ladder)trans-117.9130.5172.9-50.40000109.4T198 L199 L228 D229T198-T231 HydrophobicContact CG2-CG2 4.39Å; L199-T231 CarbonylContact O-C 3.29Å; L199-T231 WeakPolarHBondContact O-CA 3.45Å; L199-T231 WeakPolarHBondContact O-CG2 3.46Å; L228-T231 PolarHBondContact N-O 3.12Å; L228-T231 PolarHBondContact O-N 3.47Å; L228-T231 VanDerWaalsContact O-O 3.08Å; D229-T231 VanDerWaalsContact C-N 3.34Å
232F67.7Low63.4Low2 Ų2104 Ų1041%0.00953%0.532CS..EExtended strand (participates in β ladder)trans-79.1126170.1-63.2-66.2000108.9T198 L199 L201 A204 T216 A220 W225 L227 F234T198-F232 CarbonylContact C-O 3.54Å; T198-F232 VanDerWaalsContact CA-O 3.25Å; T198-F232 WeakPolarHBondContact CA-O 3.38Å; L199-F232 PolarHBondContact N-O 2.8Å; L199-F232 PolarHBondContact O-N 3.13Å; L201-F232 HydrophobicContact CD1-CE2 3.91Å; L201-F232 HydrophobicContact CD1-CZ 4.08Å; A204-F232 HydrophobicContact CB-CD2 4.34Å; A204-F232 HydrophobicContact CB-CE2 4.17Å; T216-F232 HydrophobicContact CG2-CE2 4.42Å; A220-F232 HydrophobicContact CB-CD1 4.34Å; A220-F232 HydrophobicContact CB-CE1 3.38Å; A220-F232 HydrophobicContact CB-CZ 3.54Å; W225-F232 HydrophobicContact CB-CD1 3.76Å; W225-F232 HydrophobicContact CB-CE1 4.18Å; W225-F232 HydrophobicContact CD2-CD1 4.5Å; W225-F232 HydrophobicContact CE3-CB 4.47Å; W225-F232 AromaticContact CE3-CD1 3.85Å; W225-F232 HydrophobicContact CE3-CD1 3.85Å; W225-F232 HydrophobicContact CE3-CD2 4.01Å; W225-F232 HydrophobicContact CE3-CE1 4.02Å; W225-F232 HydrophobicContact CE3-CE2 4.16Å; W225-F232 AromaticContact CE3-CG 3.84Å; W225-F232 HydrophobicContact CE3-CG 3.84Å; W225-F232 HydrophobicContact CE3-CZ 4.16Å; W225-F232 HydrophobicContact CZ3-CD2 4.27Å; W225-F232 HydrophobicContact CZ3-CE2 4.37Å; L227-F232 HydrophobicContact CB-CD1 4.49Å; L227-F232 HydrophobicContact CB-CE1 4.28Å; L227-F232 HydrophobicContact CD1-CD1 3.92Å; L227-F232 HydrophobicContact CD1-CE1 3.38Å; L227-F232 HydrophobicContact CD1-CZ 3.74Å; L227-F232 HydrophobicContact CG-CE1 4.46Å; F232-F234 HydrophobicContact CB-CE2 4.07Å; F232-F234 HydrophobicContact CB-CZ 3.96Å
233I71.5Confident62.5Low71 Ų71102.7 Ų102.736%0.36453%0.533SS..EExtended strand (participates in β ladder)trans-103.9116.9174-55176.9000108E197 T198 N226 L228E197-I233 WeakPolarHBondContact O-CA 3.44Å; T198-I233 HydrophobicContact CG2-CG1 4.31Å; N226-I233 PolarHBondContact O-N 3.41Å; L228-I233 HydrophobicContact CB-CD1 3.93Å; L228-I233 HydrophobicContact CB-CG1 4.49Å; L228-I233 HydrophobicContact CD1-CD1 3.91Å
234F70.1Confident62.2Low17 Ų17102.4 Ų102.48%0.07555%0.548CS..  trans-95.6115.2173.9-58.8-71.2000108.6I192 E193 Y196 E197 L199 W225 F232 K236I192-F234 HydrophobicContact CG2-CE2 3.91Å; I192-F234 HydrophobicContact CG2-CZ 3.93Å; E193-F234 HydrophobicContact CB-CD1 4.12Å; E193-F234 HydrophobicContact CB-CE1 4.3Å; E193-F234 HydrophobicContact CG-CD1 3.83Å; E193-F234 HydrophobicContact CG-CE1 3.63Å; E193-F234 HydrophobicContact CG-CZ 4.46Å; Y196-F234 WeakPolarHBondContact O-CB 3.24Å; Y196-F234 VanDerWaalsContact O-CD2 3.26Å; Y196-F234 WeakPolarHBondContact O-CD2 3.15Å; E197-F234 PolarHBondContact O-N 2.91Å; L199-F234 HydrophobicContact CB-CE2 3.96Å; W225-F234 AromaticContact CD1-CE1 3.86Å; W225-F234 AromaticContact CD2-CE1 3.61Å; W225-F234 HydrophobicContact CD2-CE1 3.61Å; W225-F234 AromaticContact CD2-CZ 3.89Å; W225-F234 HydrophobicContact CD2-CZ 3.89Å; W225-F234 AromaticContact CE2-CE1 3.51Å; W225-F234 AromaticContact CE2-CZ 3.93Å; W225-F234 HydrophobicContact CE3-CE1 4.14Å; W225-F234 AromaticContact CE3-CZ 3.93Å; W225-F234 HydrophobicContact CE3-CZ 3.93Å; W225-F234 AromaticContact CG-CE1 3.84Å; W225-F234 HydrophobicContact CG-CE1 3.84Å; W225-F234 HydrophobicContact CG-CZ 4.5Å; W225-F234 HydrophobicContact CH2-CE1 4.44Å; W225-F234 HydrophobicContact CH2-CZ 4.05Å; W225-F234 AromaticContact CZ2-CE1 3.95Å; W225-F234 HydrophobicContact CZ2-CE1 3.95Å; W225-F234 HydrophobicContact CZ2-CZ 4.01Å; W225-F234 HydrophobicContact CZ3-CZ 4.02Å; W225-F234 AromaticContact NE1-CE1 3.67Å; F232-F234 HydrophobicContact CB-CE2 4.07Å; F232-F234 HydrophobicContact CB-CZ 3.96Å; F234-K236 PolarHBondContact O-N 3.43Å; F234-K236 VanDerWaalsContact O-N 3.16Å
235P64Low62.1Low101 Ų101104.5 Ų104.566%0.65655%0.547SS*.  trans-67119.1178.626.2-30.9000108.9H237P235-H237 PolarHBondContact O-N 3.48Å
236K59.3Low62.4Low119 Ų119107 Ų10752%0.51757%0.567SS.*  trans-46.1116.7170.6-87.6174.6164.41400109.3E197 F234 K238E197-K236 HydrophobicContact CG-CG 4.34Å; E197-K236 WeakPolarHBondContact OE1-CE 3.21Å; E197-K236 IonicContact OE1-NZ 2.74Å; E197-K236 PolarHBondContact OE1-NZ 3.09Å; E197-K236 WeakPolarHBondContact OE2-CE 3.11Å; E197-K236 IonicContact OE2-NZ 2.69Å; E197-K236 PolarHBondContact OE2-NZ 2.97Å; F234-K236 PolarHBondContact O-N 3.43Å; F234-K236 VanDerWaalsContact O-N 3.16Å; K236-K238 VanDerWaalsContact C-N 3.33Å; K236-K238 PolarHBondContact O-N 2.91Å
237H54.7Low62.9Low167 Ų167105.9 Ų105.977%0.77357%0.567SS**  trans-55.9111.8144.2-78.6-67.7000104.9P235 K239P235-H237 PolarHBondContact O-N 3.48Å; H237-K239 PolarHBondContact O-N 3.16Å
238K50.8Low63.9Low193 Ų193104.2 Ų104.284%0.83957%0.567SS**  trans-38.5110.8178.7-74.6176.6176.9176.80107K236 R240K236-K238 VanDerWaalsContact C-N 3.33Å; K236-K238 PolarHBondContact O-N 2.91Å; K238-R240 PolarHBondContact O-N 2.89Å
239K52Low65.2Low170 Ų170104.7 Ų104.774%0.73957%0.566SS**  trans-43.1117.9165.2-77.4-175.9174.9-178.20104.2H237 A241H237-K239 PolarHBondContact O-N 3.16Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.92Å
240R50.1Low66.4Low210 Ų21099.9 Ų99.979%0.79254%0.542SS*.  trans-53.2112.6170.3-74.2-177.3177.6-179-0.2103.7K238 D242 D243K238-R240 PolarHBondContact O-N 2.89Å; R240-D242 PolarHBondContact O-N 3.25Å; R240-D243 PolarHBondContact O-N 3.49Å
241A54.6Low67.6Low94 Ų94102.1 Ų102.178%0.77755%0.55SS*.G310 helixtrans-60.6-8.5-179.400000111.5K239K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.92Å
242D55.8Low68.6Low155 Ų155107.5 Ų107.583%0.82957%0.565SS**G310 helixtrans-81.1-18.1-177-129.113000114.9R240 A244R240-D242 PolarHBondContact O-N 3.25Å; D242-A244 VanDerWaalsContact C-N 3.29Å; D242-A244 PolarHBondContact O-N 3.06Å
243D57.8Low69.8Low130 Ų130110.5 Ų110.570%0.69558%0.583SS**G310 helixtrans-92.514.4176.3-71.1-31.7000112.8R240 I245R240-D243 PolarHBondContact O-N 3.49Å; D243-I245 PolarHBondContact O-N 2.68Å
244A62.3Low70.8Confident77 Ų77113.2 Ų113.264%0.63660%0.596SS**  trans-69.176.2162.700000107.8D242 P246D242-A244 VanDerWaalsContact C-N 3.29Å; D242-A244 PolarHBondContact O-N 3.06Å; A244-P246 VanDerWaalsContact O-CD 3.24Å; A244-P246 WeakPolarHBondContact O-CD 3Å
245I67.9Low71.9Confident123 Ų123117.5 Ų117.563%0.63162%0.619SS**  trans-46.4119.1163.9-59.1171.5000104.6D243 S247 V250D243-I245 PolarHBondContact O-N 2.68Å; I245-S247 PolarHBondContact O-N 2.81Å; I245-V250 HydrophobicContact CG2-CB 4.43Å; I245-V250 HydrophobicContact CG2-CG2 3.49Å; I245-V250 VanDerWaalsContact CG2-CG2 3.49Å
246P78.6Confident73.3Confident79 Ų79117.4 Ų117.451%0.51361%0.613SS.*  trans-66.587.8179.621.9-28.5000107A244 A248 H249 V250A244-P246 VanDerWaalsContact O-CD 3.24Å; A244-P246 WeakPolarHBondContact O-CD 3Å; P246-A248 PolarHBondContact O-N 3.34Å; P246-A248 VanDerWaalsContact O-N 3.16Å; P246-H249 HydrophobicContact CB-CB 3.85Å; P246-H249 HydrophobicContact CG-CB 3.96Å; P246-H249 WeakPolarHBondContact O-CA 3.21Å; P246-H249 WeakPolarHBondContact O-CB 3.46Å; P246-H249 PolarHBondContact O-N 2.74Å; P246-V250 PolarHBondContact O-N 2.89Å
247S79.8Confident74.8Confident85 Ų85119.5 Ų119.559%0.59462%0.619SS**Hα-helixtrans-53.8-41.4-173.956.10000109.7I245 H249 V250 T251I245-S247 PolarHBondContact O-N 2.81Å; S247-H249 VanDerWaalsContact C-N 3.33Å; S247-H249 PolarHBondContact O-N 2.78Å; S247-V250 PolarHBondContact O-N 3.39Å; S247-T251 VanDerWaalsContact O-CB 3.25Å; S247-T251 WeakPolarHBondContact O-CB 3.41Å; S247-T251 PolarHBondContact O-N 2.85Å; S247-T251 PolarHBondContact O-OG1 2.91Å
248A85.4Confident76.7Confident56 Ų56115.8 Ų115.846%0.46361%0.608SS.*Hα-helixtrans-60-36.7174.100000113.9P246 R252P246-A248 PolarHBondContact O-N 3.34Å; P246-A248 VanDerWaalsContact O-N 3.16Å; A248-R252 WeakPolarHBondContact O-CB 3.42Å; A248-R252 VanDerWaalsContact O-CG 3.29Å; A248-R252 WeakPolarHBondContact O-CG 3.32Å; A248-R252 PolarHBondContact O-N 3.47Å; A248-R252 VanDerWaalsContact O-N 3.13Å
249H87.7Confident78.7Confident110 Ų110112.9 Ų112.951%0.50960%0.595SS.*Hα-helixtrans-74.3-46.7176.3-178.864.8000111P246 S247 T251 R252 V253P246-H249 HydrophobicContact CB-CB 3.85Å; P246-H249 HydrophobicContact CG-CB 3.96Å; P246-H249 WeakPolarHBondContact O-CA 3.21Å; P246-H249 WeakPolarHBondContact O-CB 3.46Å; P246-H249 PolarHBondContact O-N 2.74Å; S247-H249 VanDerWaalsContact C-N 3.33Å; S247-H249 PolarHBondContact O-N 2.78Å; H249-T251 PolarHBondContact O-N 3.03Å; H249-R252 PolarHBondContact O-N 3.36Å; H249-V253 VanDerWaalsContact O-CG2 3.32Å; H249-V253 WeakPolarHBondContact O-CG2 3.38Å; H249-V253 PolarHBondContact O-N 3.49Å
250V88.7Confident80.6Confident59 Ų59110 Ų11036%0.35858%0.584SS.*Hα-helixtrans-62.8-42.5178.3177.10000111.3I245 P246 S247 R252 V253 M254I245-V250 HydrophobicContact CG2-CB 4.43Å; I245-V250 HydrophobicContact CG2-CG2 3.49Å; I245-V250 VanDerWaalsContact CG2-CG2 3.49Å; P246-V250 PolarHBondContact O-N 2.89Å; S247-V250 PolarHBondContact O-N 3.39Å; V250-R252 PolarHBondContact O-N 3.26Å; V250-V253 PolarHBondContact O-N 3.4Å; V250-M254 WeakPolarHBondContact O-CB 3.37Å; V250-M254 PolarHBondContact O-N 3.48Å
251T90Very high82.5Confident78 Ų78104.6 Ų104.648%0.47957%0.571SS.*Hα-helixtrans-62.4-42.1174.5-57.80000111.2S247 H249 M254 L255S247-T251 VanDerWaalsContact O-CB 3.25Å; S247-T251 WeakPolarHBondContact O-CB 3.41Å; S247-T251 PolarHBondContact O-N 2.85Å; S247-T251 PolarHBondContact O-OG1 2.91Å; H249-T251 PolarHBondContact O-N 3.03Å; T251-M254 PolarHBondContact O-N 3.49Å; T251-L255 HydrophobicContact CG2-CD1 4.14Å; T251-L255 HydrophobicContact CG2-CG 4.46Å; T251-L255 WeakPolarHBondContact O-CB 3.22Å; T251-L255 VanDerWaalsContact O-CG 3.26Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 3.34Å
252R91.6Very high84.2Confident161 Ų161106.1 Ų106.161%0.60857%0.566SS**Hα-helixtrans-61.5-48.7173.8-81.7-176.4-130.2164.90.4111.9A248 H249 V250 M254 L255 D256A248-R252 WeakPolarHBondContact O-CB 3.42Å; A248-R252 VanDerWaalsContact O-CG 3.29Å; A248-R252 WeakPolarHBondContact O-CG 3.32Å; A248-R252 PolarHBondContact O-N 3.47Å; A248-R252 VanDerWaalsContact O-N 3.13Å; H249-R252 PolarHBondContact O-N 3.36Å; V250-R252 PolarHBondContact O-N 3.26Å; R252-M254 VanDerWaalsContact C-N 3.3Å; R252-M254 PolarHBondContact O-N 2.94Å; R252-L255 PolarHBondContact O-N 2.9Å; R252-L255 VanDerWaalsContact O-N 3.11Å; R252-D256 PolarHBondContact O-N 3.29Å
253V92.7Very high85.7Confident65 Ų65104.8 Ų104.839%0.39456%0.555SS.*Hα-helixtrans-58.6-43.2177.8172.80000110.7H249 V250 D256 Y257H249-V253 VanDerWaalsContact O-CG2 3.32Å; H249-V253 WeakPolarHBondContact O-CG2 3.38Å; H249-V253 PolarHBondContact O-N 3.49Å; V250-V253 PolarHBondContact O-N 3.4Å; V253-D256 PolarHBondContact O-N 2.92Å; V253-Y257 WeakPolarHBondContact O-CB 3.09Å; V253-Y257 PolarHBondContact O-N 3.39Å
254M92.8Very high86.8Confident128 Ų128105.4 Ų105.463%0.63156%0.556SS**Hα-helixtrans-64.1-39.4175.1-81.4-162.5176.800112.9V250 T251 R252 T258V250-M254 WeakPolarHBondContact O-CB 3.37Å; V250-M254 PolarHBondContact O-N 3.48Å; T251-M254 PolarHBondContact O-N 3.49Å; R252-M254 VanDerWaalsContact C-N 3.3Å; R252-M254 PolarHBondContact O-N 2.94Å; M254-T258 WeakPolarHBondContact O-CB 3.21Å; M254-T258 PolarHBondContact O-N 2.96Å; M254-T258 PolarHBondContact O-OG1 2.64Å
255L92.8Very high86.7Confident107 Ų107111 Ų11156%0.5657%0.573SS**Hα-helixtrans-67-42.4176.3-73.1172.3000111.6T251 R252 T258 K259T251-L255 HydrophobicContact CG2-CD1 4.14Å; T251-L255 HydrophobicContact CG2-CG 4.46Å; T251-L255 WeakPolarHBondContact O-CB 3.22Å; T251-L255 VanDerWaalsContact O-CG 3.26Å; T251-L255 WeakPolarHBondContact O-CG 3.41Å; T251-L255 PolarHBondContact O-N 3.34Å; R252-L255 PolarHBondContact O-N 2.9Å; R252-L255 VanDerWaalsContact O-N 3.11Å; L255-T258 PolarHBondContact O-N 2.92Å; L255-K259 WeakPolarHBondContact O-CB 3.45Å; L255-K259 PolarHBondContact O-N 3.37Å
256D93.7Very high87.7Confident100 Ų100110.4 Ų110.454%0.53557%0.57SS.*Hα-helixtrans-64.1-43.6175.9-68-26.3000110.5R252 V253 T258 K259 E260R252-D256 PolarHBondContact O-N 3.29Å; V253-D256 PolarHBondContact O-N 2.92Å; D256-T258 VanDerWaalsContact C-N 3.34Å; D256-T258 PolarHBondContact O-N 3.26Å; D256-K259 WeakPolarHBondContact O-CB 3.41Å; D256-K259 PolarHBondContact O-N 3.08Å; D256-K259 VanDerWaalsContact O-N 3.14Å; D256-E260 WeakPolarHBondContact O-CG 3.4Å; D256-E260 PolarHBondContact O-N 3.26Å
257Y92.1Very high88.2Confident162 Ų162112 Ų11264%0.63557%0.573SS**Hα-helixtrans-62.4-41.1175.4-140-87.8000112.3V253 K259 E260 L261V253-Y257 WeakPolarHBondContact O-CB 3.09Å; V253-Y257 PolarHBondContact O-N 3.39Å; Y257-K259 VanDerWaalsContact C-N 3.28Å; Y257-K259 PolarHBondContact O-N 3.08Å; Y257-E260 PolarHBondContact O-N 3.41Å; Y257-L261 HydrophobicContact CD1-CD1 4.19Å; Y257-L261 HydrophobicContact CD1-CG 4.32Å; Y257-L261 WeakPolarHBondContact O-CG 3.24Å; Y257-L261 PolarHBondContact O-N 3.42Å
258T93.7Very high88.6Confident89 Ų89113.5 Ų113.555%0.54657%0.572SS.*Hα-helixtrans-61.5-40.4174.9-56.30000110.5M254 L255 D256 L261 D262M254-T258 WeakPolarHBondContact O-CB 3.21Å; M254-T258 PolarHBondContact O-N 2.96Å; M254-T258 PolarHBondContact O-OG1 2.64Å; L255-T258 PolarHBondContact O-N 2.92Å; D256-T258 VanDerWaalsContact C-N 3.34Å; D256-T258 PolarHBondContact O-N 3.26Å; T258-L261 PolarHBondContact O-N 3.1Å; T258-D262 PolarHBondContact O-N 3.19Å; T258-D262 VanDerWaalsContact O-N 3.08Å
259K92Very high88.8Confident132 Ų132116.9 Ų116.957%0.57458%0.579SS**Hα-helixtrans-67.2-39.9177.5-173.4-176175.7-171.50112.8L255 D256 Y257 D262 Q263L255-K259 WeakPolarHBondContact O-CB 3.45Å; L255-K259 PolarHBondContact O-N 3.37Å; D256-K259 WeakPolarHBondContact O-CB 3.41Å; D256-K259 PolarHBondContact O-N 3.08Å; D256-K259 VanDerWaalsContact O-N 3.14Å; Y257-K259 VanDerWaalsContact C-N 3.28Å; Y257-K259 PolarHBondContact O-N 3.08Å; K259-D262 PolarHBondContact O-N 2.97Å; K259-Q263 PolarHBondContact O-N 2.69Å
260E92.7Very high88.9Confident110 Ų110117.3 Ų117.351%0.51458%0.583SS.*Hα-helixtrans-65.8-40.6175-68.9-68.3140.800111.5D256 Y257 D262 Q263 I264D256-E260 WeakPolarHBondContact O-CG 3.4Å; D256-E260 PolarHBondContact O-N 3.26Å; Y257-E260 PolarHBondContact O-N 3.41Å; E260-D262 VanDerWaalsContact C-N 3.27Å; E260-D262 PolarHBondContact O-N 3Å; E260-Q263 PolarHBondContact O-N 3.33Å; E260-Q263 VanDerWaalsContact O-N 3.1Å; E260-I264 WeakPolarHBondContact O-CG1 3.42Å; E260-I264 PolarHBondContact O-N 3.47Å
261L90.8Very high88.9Confident97 Ų97121.2 Ų121.251%0.50860%0.598SS.*Hα-helixtrans-60.8-37.6173.5-72.8173000112.1Y257 T258 Q263 I264Y257-L261 HydrophobicContact CD1-CD1 4.19Å; Y257-L261 HydrophobicContact CD1-CG 4.32Å; Y257-L261 WeakPolarHBondContact O-CG 3.24Å; Y257-L261 PolarHBondContact O-N 3.42Å; T258-L261 PolarHBondContact O-N 3.1Å; L261-Q263 PolarHBondContact O-N 3.23Å; L261-I264 PolarHBondContact O-N 3.05Å
262D88.6Confident88.8Confident125 Ų125124.3 Ų124.367%0.66861%0.607SS**Hα-helixtrans-69.1-20.4176.9-142.732.9000112.7T258 K259 E260T258-D262 PolarHBondContact O-N 3.19Å; T258-D262 VanDerWaalsContact O-N 3.08Å; K259-D262 PolarHBondContact O-N 2.97Å; E260-D262 VanDerWaalsContact C-N 3.27Å; E260-D262 PolarHBondContact O-N 3Å
263Q87.4Confident88.6Confident128 Ų128121.5 Ų121.560%0.59861%0.607SS**Hα-helixtrans-85.4-18.3175.6-72.6-174.81.700114.2K259 E260 L261K259-Q263 PolarHBondContact O-N 2.69Å; E260-Q263 PolarHBondContact O-N 3.33Å; E260-Q263 VanDerWaalsContact O-N 3.1Å; L261-Q263 PolarHBondContact O-N 3.23Å
264I80.9Confident88.3Confident142 Ų142126.2 Ų126.273%0.72862%0.624SS**Hα-helixtrans-83.3-19.9-179.6-64.5167.6000111.3E260 L261E260-I264 WeakPolarHBondContact O-CG1 3.42Å; E260-I264 PolarHBondContact O-N 3.47Å; L261-I264 PolarHBondContact O-N 3.05Å
265I61.7Low87.8Confident194 Ų194126 Ų126100%0.99562%0.624SS**  trans-84.10173.8-57.3174.2000109.6

Retrieved 265 of 265 residues in 98.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).