Z4YL50_MOUSE Loading...

N6,N6-dimethyl-AMP deaminase

AlphaFold DB , UniProt , Accession Z4YL50, Species MOUSE (Mus musculus, Mouse), Gene Adal, Length 253 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M87.1Confident93.3Very high80 Ų8055.5 Ų55.539%0.39431%0.314SS..  0154.80-72.6177.867.100108T15 L18 A19 F22 V30 G32 L33 D34M1-T15 HydrophobicContact CE-CG2 4.08Å; M1-L18 HydrophobicContact CE-CB 4.03Å; M1-L18 HydrophobicContact CE-CD2 3.67Å; M1-L18 HydrophobicContact CE-CG 3.81Å; M1-L18 HydrophobicContact SD-CG 4.44Å; M1-A19 VanDerWaalsContact SD-CA 3.56Å; M1-A19 HydrophobicContact SD-CB 3.7Å; M1-F22 HydrophobicContact SD-CD2 4.04Å; M1-V30 HydrophobicContact CG-CG1 4.29Å; M1-V30 HydrophobicContact CG-CG2 4.46Å; M1-V30 HydrophobicContact SD-CG1 4.39Å; M1-G32 PolarHBondContact N-O 3.23Å; M1-L33 HydrophobicContact CB-CD2 3.89Å; M1-L33 CarbonylContact O-C 3.52Å; M1-L33 VanDerWaalsContact O-CA 3.27Å; M1-L33 WeakPolarHBondContact O-CA 3.32Å; M1-D34 PolarHBondContact O-N 3.42Å
2A91.2Very high93.6Very high59 Ų5950.9 Ų50.949%0.48829%0.289SS..EExtended strand (participates in β ladder)trans-119.4137.3-178.100000111.4D34A2-D34 CarbonylContact C-O 3.58Å; A2-D34 WeakPolarHBondContact CA-O 3.42Å; A2-D34 HydrophobicContact CB-CB 4.14Å
3I94.5Very high93.9Very high3 Ų355.8 Ų55.82%0.01530%0.3CS..EExtended strand (participates in β ladder)trans-96115.3169.2-61.1172.2000106.8A12 T15 V16 L33 D34 L35 S36 F47 L51I3-A12 HydrophobicContact CD1-CB 4.39Å; I3-A12 HydrophobicContact CG2-CB 3.73Å; I3-T15 HydrophobicContact CG1-CG2 3.74Å; I3-V16 HydrophobicContact CD1-CG2 3.92Å; I3-L33 HydrophobicContact CD1-CD2 4.42Å; I3-L33 HydrophobicContact CG1-CD2 4.29Å; I3-D34 PolarHBondContact N-O 3.36Å; I3-L35 HydrophobicContact CB-CD1 4.08Å; I3-L35 HydrophobicContact CG2-CD1 3.82Å; I3-S36 PolarHBondContact O-N 3.19Å; I3-F47 HydrophobicContact CG2-CD1 4.22Å; I3-F47 HydrophobicContact CG2-CE1 4.35Å; I3-L51 HydrophobicContact CD1-CD2 3.9Å
4D93.4Very high94.2Very high56 Ų5660.2 Ų60.230%0.29932%0.317SS..EExtended strand (participates in β ladder)trans-82.2125.3172.5-171.7-38.7000109.6R6 G7D4-R6 PolarHBondContact O-N 3.47Å; D4-R6 VanDerWaalsContact OD1-CB 3.25Å; D4-R6 WeakPolarHBondContact OD1-CB 3.38Å; D4-R6 WeakPolarHBondContact OD1-CG 3.36Å; D4-R6 IonicContact OD1-CZ 3.98Å; D4-R6 PolarHBondContact OD1-N 2.97Å; D4-R6 IonicContact OD1-NE 3.08Å; D4-R6 PolarHBondContact OD1-NE 2.99Å; D4-R6 VanDerWaalsContact OD1-NE 3.08Å; D4-R6 IonicContact OD2-CZ 3.28Å; D4-R6 VanDerWaalsContact OD2-CZ 3.28Å; D4-R6 IonicContact OD2-NE 3.08Å; D4-R6 PolarHBondContact OD2-NE 3.41Å; D4-R6 VanDerWaalsContact OD2-NE 3.08Å; D4-R6 IonicContact OD2-NH2 2.66Å; D4-R6 PolarHBondContact OD2-NH2 3.27Å; D4-G7 PolarHBondContact O-N 2.8Å
5R93.4Very high94.4Very high6 Ų657.7 Ų57.72%0.02331%0.305CS..G310 helixtrans-49.1-30.7175.8-77.4166.8176.7-84.41.7113.9G7 L35 S36 D38 I41 F47 H64 E74R5-G7 VanDerWaalsContact C-N 3.29Å; R5-G7 PolarHBondContact O-N 3.37Å; R5-L35 HydrophobicContact CG-CD1 4.15Å; R5-L35 HydrophobicContact CG-CG 4.48Å; R5-S36 VanDerWaalsContact CG-O 3.26Å; R5-S36 WeakPolarHBondContact CG-O 3.29Å; R5-S36 PolarHBondContact N-O 3.44Å; R5-D38 VanDerWaalsContact CD-O 3.26Å; R5-D38 WeakPolarHBondContact CD-O 3.23Å; R5-I41 WeakPolarHBondContact CB-O 3.37Å; R5-F47 HydrophobicContact CB-CZ 4.42Å; R5-F47 HydrophobicContact CG-CE2 4.33Å; R5-F47 HydrophobicContact CG-CZ 4.44Å; R5-H64 PolarHBondContact NH2-O 2.62Å; R5-E74 IonicContact CZ-OE1 2.76Å; R5-E74 IonicContact NH1-OE1 3.45Å; R5-E74 PolarHBondContact NH1-OE1 2.83Å; R5-E74 IonicContact NH2-OE1 3.6Å; R5-E74 PolarHBondContact NH2-OE1 2.95Å
6R93.1Very high94.5Very high163 Ų16354.1 Ų54.162%0.61529%0.287SS*.G310 helixtrans-70.3-22.6178.1-63174.6-67.8-175.5-0.2113.8D4 G8 I41D4-R6 PolarHBondContact O-N 3.47Å; D4-R6 VanDerWaalsContact OD1-CB 3.25Å; D4-R6 WeakPolarHBondContact OD1-CB 3.38Å; D4-R6 WeakPolarHBondContact OD1-CG 3.36Å; D4-R6 IonicContact OD1-CZ 3.98Å; D4-R6 PolarHBondContact OD1-N 2.97Å; D4-R6 IonicContact OD1-NE 3.08Å; D4-R6 PolarHBondContact OD1-NE 2.99Å; D4-R6 VanDerWaalsContact OD1-NE 3.08Å; D4-R6 IonicContact OD2-CZ 3.28Å; D4-R6 VanDerWaalsContact OD2-CZ 3.28Å; D4-R6 IonicContact OD2-NE 3.08Å; D4-R6 PolarHBondContact OD2-NE 3.41Å; D4-R6 VanDerWaalsContact OD2-NE 3.08Å; D4-R6 IonicContact OD2-NH2 2.66Å; D4-R6 PolarHBondContact OD2-NH2 3.27Å; R6-G8 VanDerWaalsContact C-N 3.28Å; R6-G8 PolarHBondContact O-N 2.84Å; R6-I41 HydrophobicContact CG-CB 4.39Å; R6-I41 HydrophobicContact CG-CD1 3.76Å; R6-I41 HydrophobicContact CG-CG2 4.1Å
7G92.5Very high94.7Very high32 Ų3256.2 Ų56.233%0.3329%0.294SS..G310 helixtrans-72.2-20.7-179.600000113.7D4 R5 I11D4-G7 PolarHBondContact O-N 2.8Å; R5-G7 VanDerWaalsContact C-N 3.29Å; R5-G7 PolarHBondContact O-N 3.37Å; G7-I11 WeakPolarHBondContact O-CB 3.21Å; G7-I11 WeakPolarHBondContact O-CG1 3.49Å
8G93.6Very high94.8Very high15 Ų1557.1 Ų57.116%0.15530%0.299CS..Hα-helixtrans67.8-174.2-178.500000114.2R6 T10 I11 A12R6-G8 VanDerWaalsContact C-N 3.28Å; R6-G8 PolarHBondContact O-N 2.84Å; G8-T10 PolarHBondContact O-N 2.78Å; G8-I11 PolarHBondContact O-N 3.39Å; G8-A12 WeakPolarHBondContact O-CB 3.39Å; G8-A12 PolarHBondContact O-N 3.36Å; G8-A12 VanDerWaalsContact O-N 3.07Å
9P94.8Very high94.8Very high40 Ų4054.1 Ų54.126%0.2628%0.283SS..Hα-helixtrans-68.5-31.6-166.924.5-33.9000114R13 D46P9-R13 WeakPolarHBondContact O-CG 3.32Å; P9-R13 PolarHBondContact O-N 3.42Å; P9-R13 VanDerWaalsContact O-N 3.09Å; P9-D46 HydrophobicContact CB-CB 4.08Å; P9-D46 WeakPolarHBondContact CB-O 3.45Å; P9-D46 HydrophobicContact CG-CB 4.35Å
10T96.5Very high94.7Very high76 Ų7653.9 Ų53.947%0.46628%0.28SS..Hα-helixtrans-67.5-50.4179.6-570000111.2G8 A12 R13 E14G8-T10 PolarHBondContact O-N 2.78Å; T10-A12 VanDerWaalsContact C-N 3.27Å; T10-A12 PolarHBondContact O-N 3.26Å; T10-R13 PolarHBondContact O-N 2.84Å; T10-E14 PolarHBondContact O-N 3.11Å; T10-E14 VanDerWaalsContact O-N 3.09Å
11I96.3Very high94.7Very high80 Ų8057.2 Ų57.241%0.4129%0.294SS..Hα-helixtrans-64.9-35.3177.9-58.5-58.5000110.8G7 G8 E14 T15G7-I11 WeakPolarHBondContact O-CB 3.21Å; G7-I11 WeakPolarHBondContact O-CG1 3.49Å; G8-I11 PolarHBondContact O-N 3.39Å; I11-E14 PolarHBondContact O-N 3.49Å; I11-T15 WeakPolarHBondContact O-CB 3.49Å; I11-T15 PolarHBondContact O-N 3.15Å; I11-T15 PolarHBondContact O-OG1 2.69Å
12A96.8Very high94.9Very high1 Ų157.2 Ų57.21%0.00829%0.292CS..Hα-helixtrans-58.8-47.2173.900000112I3 G8 T10 T15 V16 F47 P50I3-A12 HydrophobicContact CD1-CB 4.39Å; I3-A12 HydrophobicContact CG2-CB 3.73Å; G8-A12 WeakPolarHBondContact O-CB 3.39Å; G8-A12 PolarHBondContact O-N 3.36Å; G8-A12 VanDerWaalsContact O-N 3.07Å; T10-A12 VanDerWaalsContact C-N 3.27Å; T10-A12 PolarHBondContact O-N 3.26Å; A12-T15 PolarHBondContact O-N 2.84Å; A12-V16 WeakPolarHBondContact O-CG2 2.83Å; A12-V16 PolarHBondContact O-N 3.29Å; A12-F47 HydrophobicContact CB-CD1 3.86Å; A12-F47 HydrophobicContact CB-CE1 4.26Å; A12-P50 HydrophobicContact CB-CB 4.34Å; A12-P50 HydrophobicContact CB-CG 4.22Å
13R97.6Very high94.9Very high115 Ų11557.5 Ų57.543%0.43428%0.283SS..Hα-helixtrans-61.4-46.7176.1-71.5-174.3-139.1106.22.9112.4P9 T10 T15 V16 E17 E49 P50P9-R13 WeakPolarHBondContact O-CG 3.32Å; P9-R13 PolarHBondContact O-N 3.42Å; P9-R13 VanDerWaalsContact O-N 3.09Å; T10-R13 PolarHBondContact O-N 2.84Å; R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.4Å; R13-V16 PolarHBondContact O-N 3.01Å; R13-V16 VanDerWaalsContact O-N 3.16Å; R13-E17 PolarHBondContact O-N 2.9Å; R13-E49 IonicContact NE-OE2 3.92Å; R13-P50 HydrophobicContact CG-CB 4.26Å; R13-P50 HydrophobicContact CG-CG 3.7Å
14E97.8Very high94.6Very high117 Ų11764.4 Ų64.455%0.54732%0.318SS..Hα-helixtrans-60.1-40.8178.2-70174.3-177.100111.7T10 I11 V16 E17 L18T10-E14 PolarHBondContact O-N 3.11Å; T10-E14 VanDerWaalsContact O-N 3.09Å; I11-E14 PolarHBondContact O-N 3.49Å; E14-V16 PolarHBondContact O-N 2.97Å; E14-E17 PolarHBondContact O-N 3.24Å; E14-L18 WeakPolarHBondContact O-CB 3.39Å; E14-L18 PolarHBondContact O-N 2.93Å
15T97.2Very high94.3Very high22 Ų2265.5 Ų65.514%0.13533%0.331CS..Hα-helixtrans-64.2-40.2176.3-56.20000111.6M1 I3 I11 A12 R13 A19 L33M1-T15 HydrophobicContact CE-CG2 4.08Å; I3-T15 HydrophobicContact CG1-CG2 3.74Å; I11-T15 WeakPolarHBondContact O-CB 3.49Å; I11-T15 PolarHBondContact O-N 3.15Å; I11-T15 PolarHBondContact O-OG1 2.69Å; A12-T15 PolarHBondContact O-N 2.84Å; R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.4Å; T15-A19 WeakPolarHBondContact O-CB 3.32Å; T15-A19 PolarHBondContact O-N 3.12Å; T15-L33 HydrophobicContact CG2-CD2 4.02Å
16V96.9Very high93.6Very high1 Ų167 Ų671%0.00634%0.341CS..Hα-helixtrans-65.4-45.7176.3168.20000111.4I3 A12 R13 E14 L18 A19 K20 L33 P50 A54I3-V16 HydrophobicContact CD1-CG2 3.92Å; A12-V16 WeakPolarHBondContact O-CG2 2.83Å; A12-V16 PolarHBondContact O-N 3.29Å; R13-V16 PolarHBondContact O-N 3.01Å; R13-V16 VanDerWaalsContact O-N 3.16Å; E14-V16 PolarHBondContact O-N 2.97Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.3Å; V16-A19 PolarHBondContact O-N 3.02Å; V16-K20 HydrophobicContact CG1-CD 3.87Å; V16-K20 HydrophobicContact CG1-CG 4.45Å; V16-K20 VanDerWaalsContact O-CG 3.3Å; V16-K20 WeakPolarHBondContact O-CG 3.09Å; V16-K20 PolarHBondContact O-N 3.19Å; V16-L33 HydrophobicContact CG2-CD1 3.95Å; V16-P50 HydrophobicContact CG2-CB 3.88Å; V16-A54 HydrophobicContact CG1-CB 3.96Å; V16-A54 HydrophobicContact CG2-CB 4.29Å
17E97.2Very high92.8Very high90 Ų9066.7 Ų66.742%0.42135%0.346SS..Hα-helixtrans-60.5-44.7177-71.9-49.7126.700111.8R13 E14 A19 K20 E21R13-E17 PolarHBondContact O-N 2.9Å; E14-E17 PolarHBondContact O-N 3.24Å; E17-A19 VanDerWaalsContact C-N 3.33Å; E17-A19 PolarHBondContact O-N 3.26Å; E17-K20 WeakPolarHBondContact O-CB 3.03Å; E17-K20 PolarHBondContact O-N 2.86Å; E17-K20 IonicContact OE1-NZ 2.8Å; E17-K20 PolarHBondContact OE1-NZ 3.49Å; E17-K20 IonicContact OE2-NZ 3.83Å; E17-K20 PolarHBondContact OE2-NZ 2.78Å; E17-E21 PolarHBondContact O-N 2.9Å
18L95.8Very high91.8Very high71 Ų7168.2 Ų68.237%0.37235%0.347SS..Hα-helixtrans-63.9-39.7176.7-173.560.2000111.8M1 E14 V16 K20 E21 F22M1-L18 HydrophobicContact CE-CB 4.03Å; M1-L18 HydrophobicContact CE-CD2 3.67Å; M1-L18 HydrophobicContact CE-CG 3.81Å; M1-L18 HydrophobicContact SD-CG 4.44Å; E14-L18 WeakPolarHBondContact O-CB 3.39Å; E14-L18 PolarHBondContact O-N 2.93Å; V16-L18 VanDerWaalsContact C-N 3.34Å; V16-L18 PolarHBondContact O-N 3.3Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 3.23Å; L18-E21 PolarHBondContact O-N 3.38Å; L18-F22 HydrophobicContact CD1-CD2 3.9Å; L18-F22 HydrophobicContact CD1-CE2 3.4Å; L18-F22 HydrophobicContact CD1-CZ 4.15Å; L18-F22 HydrophobicContact CD2-CE2 4.08Å; L18-F22 HydrophobicContact CG-CD2 3.81Å; L18-F22 HydrophobicContact CG-CE2 3.54Å; L18-F22 WeakPolarHBondContact O-CD2 3.34Å; L18-F22 PolarHBondContact O-N 3.32Å
19A94.8Very high91.4Very high0 Ų070.3 Ų70.30%036%0.356CS..Hα-helixtrans-64.7-37.3175.400000112.6M1 T15 V16 E17 F22 F23 V30 L33 L59M1-A19 VanDerWaalsContact SD-CA 3.56Å; M1-A19 HydrophobicContact SD-CB 3.7Å; T15-A19 WeakPolarHBondContact O-CB 3.32Å; T15-A19 PolarHBondContact O-N 3.12Å; V16-A19 PolarHBondContact O-N 3.02Å; E17-A19 VanDerWaalsContact C-N 3.33Å; E17-A19 PolarHBondContact O-N 3.26Å; A19-F22 PolarHBondContact O-N 3.31Å; A19-F23 WeakPolarHBondContact O-CB 3.48Å; A19-F23 PolarHBondContact O-N 3.12Å; A19-V30 HydrophobicContact CB-CG1 4.3Å; A19-L33 HydrophobicContact CB-CD1 3.96Å; A19-L33 HydrophobicContact CB-CD2 3.72Å; A19-L33 HydrophobicContact CB-CG 3.89Å; A19-L59 HydrophobicContact CB-CD1 3.85Å
20K94.3Very high91.2Very high50 Ų5069.4 Ų69.422%0.21735%0.35CS..Hα-helixtrans-64.6-43.8174.1-71.2161.361.8-160.80111.1V16 E17 L18 F23 L24 A57 L59V16-K20 HydrophobicContact CG1-CD 3.87Å; V16-K20 HydrophobicContact CG1-CG 4.45Å; V16-K20 VanDerWaalsContact O-CG 3.3Å; V16-K20 WeakPolarHBondContact O-CG 3.09Å; V16-K20 PolarHBondContact O-N 3.19Å; E17-K20 WeakPolarHBondContact O-CB 3.03Å; E17-K20 PolarHBondContact O-N 2.86Å; E17-K20 IonicContact OE1-NZ 2.8Å; E17-K20 PolarHBondContact OE1-NZ 3.49Å; E17-K20 IonicContact OE2-NZ 3.83Å; E17-K20 PolarHBondContact OE2-NZ 2.78Å; L18-K20 VanDerWaalsContact C-N 3.34Å; L18-K20 PolarHBondContact O-N 3.23Å; K20-F23 PolarHBondContact O-N 3.1Å; K20-L24 WeakPolarHBondContact O-CG 3.4Å; K20-L24 PolarHBondContact O-N 2.6Å; K20-L24 VanDerWaalsContact O-N 3.12Å; K20-A57 HydrophobicContact CD-CB 4.21Å; K20-A57 HydrophobicContact CG-CB 3.83Å; K20-L59 HydrophobicContact CG-CD1 3.98Å
21E93.9Very high90.8Very high124 Ų12466.4 Ų66.458%0.57933%0.331SS*.Hα-helixtrans-60.3-47.7176.4-174.1179.6171.900111.1E17 L18 L24 S25E17-E21 PolarHBondContact O-N 2.9Å; L18-E21 PolarHBondContact O-N 3.38Å; E21-L24 PolarHBondContact O-N 3.2Å; E21-S25 VanDerWaalsContact O-CB 3.27Å; E21-S25 WeakPolarHBondContact O-CB 3.47Å; E21-S25 PolarHBondContact O-N 3.12Å; E21-S25 PolarHBondContact O-OG 2.91Å
22F92.4Very high90.6Very high81 Ų8162.8 Ų62.836%0.35531%0.314SS..Hα-helixtrans-67.6-36.6177.3-75.9-58.9000113.1M1 L18 A19 L24 S25 T26 V30M1-F22 HydrophobicContact SD-CD2 4.04Å; L18-F22 HydrophobicContact CD1-CD2 3.9Å; L18-F22 HydrophobicContact CD1-CE2 3.4Å; L18-F22 HydrophobicContact CD1-CZ 4.15Å; L18-F22 HydrophobicContact CD2-CE2 4.08Å; L18-F22 HydrophobicContact CG-CD2 3.81Å; L18-F22 HydrophobicContact CG-CE2 3.54Å; L18-F22 WeakPolarHBondContact O-CD2 3.34Å; L18-F22 PolarHBondContact O-N 3.32Å; A19-F22 PolarHBondContact O-N 3.31Å; F22-L24 PolarHBondContact O-N 2.72Å; F22-S25 WeakPolarHBondContact CA-OG 3.41Å; F22-S25 PolarHBondContact O-N 2.97Å; F22-T26 HydrophobicContact CB-CG2 4.3Å; F22-T26 HydrophobicContact CD1-CG2 3.75Å; F22-T26 VanDerWaalsContact O-CB 3.29Å; F22-T26 WeakPolarHBondContact O-CB 3.29Å; F22-T26 WeakPolarHBondContact O-CG2 3.36Å; F22-T26 PolarHBondContact O-N 3.16Å; F22-T26 PolarHBondContact O-OG1 2.8Å; F22-V30 HydrophobicContact CB-CB 3.84Å; F22-V30 HydrophobicContact CB-CG1 4.41Å; F22-V30 HydrophobicContact CB-CG2 3.55Å; F22-V30 HydrophobicContact CG-CG2 4.21Å
23F90.2Very high90.3Very high65 Ų6562.9 Ų62.929%0.28531%0.314SS..Hα-helixtrans-58.7-36.7175.2179.7-106.5000112.2A19 K20 V30 A57 L59A19-F23 WeakPolarHBondContact O-CB 3.48Å; A19-F23 PolarHBondContact O-N 3.12Å; K20-F23 PolarHBondContact O-N 3.1Å; F23-V30 VanDerWaalsContact CD2-O 3.31Å; F23-V30 WeakPolarHBondContact CD2-O 3.42Å; F23-A57 WeakPolarHBondContact CE1-O 3.39Å; F23-L59 HydrophobicContact CB-CD2 3.83Å; F23-L59 HydrophobicContact CB-CG 4.39Å; F23-L59 HydrophobicContact CD2-CD2 3.75Å; F23-L59 HydrophobicContact CD2-CG 4.44Å; F23-L59 HydrophobicContact CG-CD2 3.89Å; F23-L59 HydrophobicContact CG-CG 4.31Å
24L88.2Confident90.1Very high147 Ų14757.9 Ų57.977%0.7730%0.296SS*.Hα-helixtrans-85.3-32.6179.1-65.3174.9000113.6K20 E21 F22K20-L24 WeakPolarHBondContact O-CG 3.4Å; K20-L24 PolarHBondContact O-N 2.6Å; K20-L24 VanDerWaalsContact O-N 3.12Å; E21-L24 PolarHBondContact O-N 3.2Å; F22-L24 PolarHBondContact O-N 2.72Å
25S87.8Confident89.8Confident80 Ų8052.3 Ų52.356%0.55927%0.27SS*.Hα-helixtrans-95.4-16.7-172.761.70000114.3E21 F22E21-S25 VanDerWaalsContact O-CB 3.27Å; E21-S25 WeakPolarHBondContact O-CB 3.47Å; E21-S25 PolarHBondContact O-N 3.12Å; E21-S25 PolarHBondContact O-OG 2.91Å; F22-S25 WeakPolarHBondContact CA-OG 3.41Å; F22-S25 PolarHBondContact O-N 2.97Å
26T78.4Confident89.5Confident37 Ų3752.3 Ų52.323%0.22727%0.271CS..SBendtrans-108.6139.3-179.970.70000110.7F22 N28 T29F22-T26 HydrophobicContact CB-CG2 4.3Å; F22-T26 HydrophobicContact CD1-CG2 3.75Å; F22-T26 VanDerWaalsContact O-CB 3.29Å; F22-T26 WeakPolarHBondContact O-CB 3.29Å; F22-T26 WeakPolarHBondContact O-CG2 3.36Å; F22-T26 PolarHBondContact O-N 3.16Å; F22-T26 PolarHBondContact O-OG1 2.8Å; T26-N28 PolarHBondContact O-N 3.36Å; T26-T29 WeakPolarHBondContact OG1-CB 3.47Å; T26-T29 PolarHBondContact OG1-N 2.98Å
27E77Confident89.1Confident156 Ų15653.5 Ų53.573%0.72928%0.284SS*.SBendtrans-69.676.4175.7-68.4-175.3174.300111T29E27-T29 PolarHBondContact O-N 2.98Å
28N71.3Confident88.7Confident65 Ų6552.1 Ų52.135%0.34828%0.279SS..SBendtrans67.325.9176.6-55.8-59.1000115.8T26 L31T26-N28 PolarHBondContact O-N 3.36Å; N28-L31 HydrophobicContact CB-CD2 3.94Å; N28-L31 WeakPolarHBondContact O-CG 3.49Å
29T84.3Confident88.3Confident58 Ų5849.9 Ų49.936%0.35627%0.269SS..SBendtrans-79.9-47.6179.6-53.80000112.1T26 E27 M123T26-T29 WeakPolarHBondContact OG1-CB 3.47Å; T26-T29 PolarHBondContact OG1-N 2.98Å; E27-T29 PolarHBondContact O-N 2.98Å; T29-M123 HydrophobicContact CG2-CE 3.72Å; T29-M123 HydrophobicContact CG2-SD 4.12Å
30V89.8Confident87.9Confident21 Ų2153.7 Ų53.713%0.12729%0.292CS..  trans-100.8114.2173.8177.20000107.5M1 A19 F22 F23 L59M1-V30 HydrophobicContact CG-CG1 4.29Å; M1-V30 HydrophobicContact CG-CG2 4.46Å; M1-V30 HydrophobicContact SD-CG1 4.39Å; A19-V30 HydrophobicContact CB-CG1 4.3Å; F22-V30 HydrophobicContact CB-CB 3.84Å; F22-V30 HydrophobicContact CB-CG1 4.41Å; F22-V30 HydrophobicContact CB-CG2 3.55Å; F22-V30 HydrophobicContact CG-CG2 4.21Å; F23-V30 VanDerWaalsContact CD2-O 3.31Å; F23-V30 WeakPolarHBondContact CD2-O 3.42Å; V30-L59 HydrophobicContact CG1-CD2 4.32Å
31L89.8Confident87.6Confident13 Ų1354.4 Ų54.47%0.06830%0.297CS..  trans-113-13.6-176.5-61.6173.5000113.2N28 K60 Y122 F224 A225N28-L31 HydrophobicContact CB-CD2 3.94Å; N28-L31 WeakPolarHBondContact O-CG 3.49Å; L31-K60 WeakPolarHBondContact O-CB 3.12Å; L31-K60 PolarHBondContact O-N 3.29Å; L31-Y122 HydrophobicContact CB-CD1 3.95Å; L31-Y122 HydrophobicContact CB-CE1 4.12Å; L31-Y122 HydrophobicContact CD1-CD1 3.77Å; L31-Y122 HydrophobicContact CD1-CE1 4.5Å; L31-Y122 HydrophobicContact CG-CD1 4.1Å; L31-F224 HydrophobicContact CB-CB 3.93Å; L31-F224 HydrophobicContact CD1-CB 4.38Å; L31-A225 HydrophobicContact CD1-CB 4.26Å
32G90.3Very high87.1Confident4 Ų449.7 Ų49.74%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-171.5176.4-173.300000113.8M1 K60M1-G32 PolarHBondContact N-O 3.23Å; G32-K60 CarbonylContact C-O 3.43Å; G32-K60 WeakPolarHBondContact CA-O 3.45Å
33L92.3Very high86.9Confident3 Ų352 Ų522%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-121.8145.4179.6-76.9153.1000110M1 I3 T15 V16 A19 A54 L59 K60 L61 A62M1-L33 HydrophobicContact CB-CD2 3.89Å; M1-L33 CarbonylContact O-C 3.52Å; M1-L33 VanDerWaalsContact O-CA 3.27Å; M1-L33 WeakPolarHBondContact O-CA 3.32Å; I3-L33 HydrophobicContact CD1-CD2 4.42Å; I3-L33 HydrophobicContact CG1-CD2 4.29Å; T15-L33 HydrophobicContact CG2-CD2 4.02Å; V16-L33 HydrophobicContact CG2-CD1 3.95Å; A19-L33 HydrophobicContact CB-CD1 3.96Å; A19-L33 HydrophobicContact CB-CD2 3.72Å; A19-L33 HydrophobicContact CB-CG 3.89Å; L33-A54 HydrophobicContact CD1-CB 3.38Å; L33-L59 HydrophobicContact CD1-CD1 3.75Å; L33-L59 HydrophobicContact CG-CD1 4.47Å; L33-K60 PolarHBondContact N-O 3.36Å; L33-L61 HydrophobicContact CB-CD2 4.2Å; L33-A62 PolarHBondContact O-N 3.38Å
34D91.9Very high86.8Confident10 Ų1049.2 Ų49.25%0.05328%0.283CS..EExtended strand (participates in β ladder)trans-108.4145.3169.6175.746.2000110M1 A2 I3 S36 A62 H64M1-D34 PolarHBondContact O-N 3.42Å; A2-D34 CarbonylContact C-O 3.58Å; A2-D34 WeakPolarHBondContact CA-O 3.42Å; A2-D34 HydrophobicContact CB-CB 4.14Å; I3-D34 PolarHBondContact N-O 3.36Å; D34-S36 WeakPolarHBondContact OD2-CB 3.49Å; D34-S36 PolarHBondContact OD2-OG 2.83Å; D34-A62 VanDerWaalsContact CA-O 3.23Å; D34-A62 WeakPolarHBondContact CA-O 3.34Å; D34-H64 IonicContact OD1-CD2 4Å; D34-H64 PolarHBondContact OD1-CD2 2.91Å; D34-H64 VanDerWaalsContact OD1-CD2 3.24Å; D34-H64 IonicContact OD1-NE2 3.98Å
35L92.8Very high86.9Confident0 Ų047.1 Ų47.10%027%0.273CS..EExtended strand (participates in β ladder)trans-115.1113.6164.7176.672.3000107.7I3 R5 F47 L51 A62 L63 H64 L78I3-L35 HydrophobicContact CB-CD1 4.08Å; I3-L35 HydrophobicContact CG2-CD1 3.82Å; R5-L35 HydrophobicContact CG-CD1 4.15Å; R5-L35 HydrophobicContact CG-CG 4.48Å; L35-F47 HydrophobicContact CD1-CB 4.39Å; L35-F47 HydrophobicContact CD1-CD1 4.07Å; L35-F47 HydrophobicContact CD1-CD2 4.22Å; L35-F47 HydrophobicContact CD1-CE1 4.43Å; L35-F47 HydrophobicContact CD1-CG 3.96Å; L35-F47 HydrophobicContact CD2-CB 4.37Å; L35-F47 HydrophobicContact CD2-CD2 4.34Å; L35-F47 HydrophobicContact CD2-CG 4.44Å; L35-L51 HydrophobicContact CD2-CD1 4.1Å; L35-A62 PolarHBondContact N-O 2.98Å; L35-A62 VanDerWaalsContact N-O 3.15Å; L35-L63 HydrophobicContact CB-CD2 3.59Å; L35-L63 HydrophobicContact CD2-CD2 4.42Å; L35-H64 VanDerWaalsContact O-CB 3.26Å; L35-H64 WeakPolarHBondContact O-CB 3.46Å; L35-H64 PolarHBondContact O-N 2.84Å; L35-L78 HydrophobicContact CD2-CD1 4.19Å; L35-L78 HydrophobicContact CD2-CD2 4.11Å
36S91.1Very high87.2Confident22 Ų2245.8 Ų45.815%0.15426%0.259CS..EExtended strand (participates in β ladder)trans-146.3-161.7-174.453.10000111.2I3 R5 D34I3-S36 PolarHBondContact O-N 3.19Å; R5-S36 VanDerWaalsContact CG-O 3.26Å; R5-S36 WeakPolarHBondContact CG-O 3.29Å; R5-S36 PolarHBondContact N-O 3.44Å; D34-S36 WeakPolarHBondContact OD2-CB 3.49Å; D34-S36 PolarHBondContact OD2-OG 2.83Å
37G88.3Confident88Confident27 Ų2744 Ų4428%0.27825%0.248SC..SBendtrans91.6-165.7-172.700000112P39G37-P39 VanDerWaalsContact O-CD 3.28Å; G37-P39 WeakPolarHBondContact O-CD 3.31Å; G37-P39 VanDerWaalsContact O-N 3.17Å
38D88Confident88.9Confident61 Ų6138.4 Ų38.433%0.32622%0.223SC..  trans-64.1114.4-174-174.3-23.7000111.6R5 T40 I41R5-D38 VanDerWaalsContact CD-O 3.26Å; R5-D38 WeakPolarHBondContact CD-O 3.23Å; D38-T40 VanDerWaalsContact CG-OG1 3.27Å; D38-T40 PolarHBondContact O-N 3.38Å; D38-T40 VanDerWaalsContact O-N 3.12Å; D38-T40 WeakPolarHBondContact OD1-CA 3.2Å; D38-T40 VanDerWaalsContact OD1-CB 3.29Å; D38-T40 WeakPolarHBondContact OD1-CB 3.3Å; D38-T40 WeakPolarHBondContact OD1-CG2 3.46Å; D38-T40 PolarHBondContact OD1-N 2.96Å; D38-T40 PolarHBondContact OD1-OG1 3.22Å; D38-T40 PolarHBondContact OD2-OG1 3.44Å; D38-I41 HydrophobicContact CB-CB 4.3Å; D38-I41 HydrophobicContact CB-CD1 3.87Å; D38-I41 HydrophobicContact CB-CG1 4.03Å; D38-I41 PolarHBondContact O-N 3.48Å; D38-I41 WeakPolarHBondContact OD2-CD1 3.43Å
39P86.9Confident90.1Very high24 Ų2439.4 Ų39.416%0.15623%0.225CC..THydrogen-bonded Turntrans-69.1-9.4-177.129.2-36.1000113.3G37 E67 I68G37-P39 VanDerWaalsContact O-CD 3.28Å; G37-P39 WeakPolarHBondContact O-CD 3.31Å; G37-P39 VanDerWaalsContact O-N 3.17Å; P39-E67 HydrophobicContact CB-CB 3.88Å; P39-E67 HydrophobicContact CG-CB 3.87Å; P39-I68 HydrophobicContact CB-CD1 4.22Å; P39-I68 HydrophobicContact CB-CG1 4.31Å; P39-I68 HydrophobicContact CG-CD1 4.37Å; P39-I68 HydrophobicContact CG-CG2 3.88Å
40T87.4Confident90.7Very high79 Ų7936.7 Ų36.749%0.48521%0.209SC..THydrogen-bonded Turntrans-83.7-14.4174.473.40000113D38 I68D38-T40 VanDerWaalsContact CG-OG1 3.27Å; D38-T40 PolarHBondContact O-N 3.38Å; D38-T40 VanDerWaalsContact O-N 3.12Å; D38-T40 WeakPolarHBondContact OD1-CA 3.2Å; D38-T40 VanDerWaalsContact OD1-CB 3.29Å; D38-T40 WeakPolarHBondContact OD1-CB 3.3Å; D38-T40 WeakPolarHBondContact OD1-CG2 3.46Å; D38-T40 PolarHBondContact OD1-N 2.96Å; D38-T40 PolarHBondContact OD1-OG1 3.22Å; D38-T40 PolarHBondContact OD2-OG1 3.44Å; T40-I68 HydrophobicContact CG2-CD1 3.77Å
41I87.6Confident91Very high65 Ų6535.7 Ų35.733%0.33320%0.203SC..SBendtrans-106.2145.4-173.3-59.7179.4000111R5 R6 D38R5-I41 WeakPolarHBondContact CB-O 3.37Å; R6-I41 HydrophobicContact CG-CB 4.39Å; R6-I41 HydrophobicContact CG-CD1 3.76Å; R6-I41 HydrophobicContact CG-CG2 4.1Å; D38-I41 HydrophobicContact CB-CB 4.3Å; D38-I41 HydrophobicContact CB-CD1 3.87Å; D38-I41 HydrophobicContact CB-CG1 4.03Å; D38-I41 PolarHBondContact O-N 3.48Å; D38-I41 WeakPolarHBondContact OD2-CD1 3.43Å
42G83.7Confident91.3Very high25 Ų2538.5 Ų38.526%0.25822%0.218SC..SBendtrans78.1165.5-178.300000113.1
43Q87.7Confident91.6Very high131 Ų13141.7 Ų41.761%0.61223%0.232SC*.  trans-119.1146.2171.9-62.6-177.148.700109.7N45 D46 F47Q43-N45 PolarHBondContact O-N 2.99Å; Q43-D46 PolarHBondContact N-OD2 3.42Å; Q43-D46 VanDerWaalsContact O-CB 3.28Å; Q43-D46 WeakPolarHBondContact O-CB 3.29Å; Q43-D46 PolarHBondContact O-N 3.32Å; Q43-F47 VanDerWaalsContact O-CD2 3.29Å; Q43-F47 WeakPolarHBondContact O-CD2 3.39Å; Q43-F47 WeakPolarHBondContact O-CE2 3.28Å
44A87.8Confident91.7Very high5 Ų541.6 Ų41.64%0.04123%0.231CC..Hα-helixtrans-47.1-41.1177.400000113.2D46 F47 L48 E74 M77 L78A44-D46 PolarHBondContact O-N 3.36Å; A44-F47 PolarHBondContact O-N 2.83Å; A44-L48 WeakPolarHBondContact O-CG 3.28Å; A44-L48 PolarHBondContact O-N 3.4Å; A44-E74 HydrophobicContact CB-CB 4.3Å; A44-E74 HydrophobicContact CB-CG 4.07Å; A44-M77 HydrophobicContact CB-CB 4.05Å; A44-M77 HydrophobicContact CB-CE 3.76Å; A44-M77 HydrophobicContact CB-SD 4.22Å; A44-L78 HydrophobicContact CB-CD1 4.43Å; A44-L78 HydrophobicContact CB-CD2 4.29Å; A44-L78 HydrophobicContact CB-CG 4.06Å
45N91.8Very high91.8Very high104 Ų10444.2 Ų44.256%0.55624%0.242SC*.Hα-helixtrans-55.5-31178.1-82.6-29.4000114.1Q43 F47 M77Q43-N45 PolarHBondContact O-N 2.99Å; N45-F47 PolarHBondContact O-N 3.13Å; N45-M77 HydrophobicContact CB-CE 4.37Å; N45-M77 VanDerWaalsContact CG-CE 3.48Å; N45-M77 WeakPolarHBondContact OD1-CE 3.48Å
46D93.1Very high91.9Very high52 Ų5251.7 Ų51.728%0.27827%0.274SS..Hα-helixtrans-67.2-25.3179.9-59.6-33.9000111.5P9 Q43 A44P9-D46 HydrophobicContact CB-CB 4.08Å; P9-D46 WeakPolarHBondContact CB-O 3.45Å; P9-D46 HydrophobicContact CG-CB 4.35Å; Q43-D46 PolarHBondContact N-OD2 3.42Å; Q43-D46 VanDerWaalsContact O-CB 3.28Å; Q43-D46 WeakPolarHBondContact O-CB 3.29Å; Q43-D46 PolarHBondContact O-N 3.32Å; A44-D46 PolarHBondContact O-N 3.36Å
47F95.3Very high92.1Very high0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-112.8-17.8-171.3-47.9-66.1000113.4I3 R5 A12 L35 Q43 A44 N45 E49 P50 L51I3-F47 HydrophobicContact CG2-CD1 4.22Å; I3-F47 HydrophobicContact CG2-CE1 4.35Å; R5-F47 HydrophobicContact CB-CZ 4.42Å; R5-F47 HydrophobicContact CG-CE2 4.33Å; R5-F47 HydrophobicContact CG-CZ 4.44Å; A12-F47 HydrophobicContact CB-CD1 3.86Å; A12-F47 HydrophobicContact CB-CE1 4.26Å; L35-F47 HydrophobicContact CD1-CB 4.39Å; L35-F47 HydrophobicContact CD1-CD1 4.07Å; L35-F47 HydrophobicContact CD1-CD2 4.22Å; L35-F47 HydrophobicContact CD1-CE1 4.43Å; L35-F47 HydrophobicContact CD1-CG 3.96Å; L35-F47 HydrophobicContact CD2-CB 4.37Å; L35-F47 HydrophobicContact CD2-CD2 4.34Å; L35-F47 HydrophobicContact CD2-CG 4.44Å; Q43-F47 VanDerWaalsContact O-CD2 3.29Å; Q43-F47 WeakPolarHBondContact O-CD2 3.39Å; Q43-F47 WeakPolarHBondContact O-CE2 3.28Å; A44-F47 PolarHBondContact O-N 2.83Å; N45-F47 PolarHBondContact O-N 3.13Å; F47-E49 PolarHBondContact O-N 3.01Å; F47-P50 WeakPolarHBondContact O-CD 3.27Å; F47-L51 HydrophobicContact CB-CD1 3.9Å; F47-L51 HydrophobicContact CB-CG 4.4Å; F47-L51 VanDerWaalsContact O-CB 3.26Å; F47-L51 WeakPolarHBondContact O-CB 3.31Å; F47-L51 WeakPolarHBondContact O-CD1 3.49Å; F47-L51 WeakPolarHBondContact O-CG 3.34Å; F47-L51 PolarHBondContact O-N 3.08Å
48L95.3Very high92.3Very high37 Ų3753.2 Ų53.219%0.19429%0.289CS..Hα-helixtrans-55.3-49-178-77.3-175.5000112.9A44 L52 M77 L78 L81A44-L48 WeakPolarHBondContact O-CG 3.28Å; A44-L48 PolarHBondContact O-N 3.4Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 2.94Å; L48-M77 HydrophobicContact CD1-CB 4.39Å; L48-M77 HydrophobicContact CD1-CE 3.62Å; L48-M77 HydrophobicContact CD2-CB 4.37Å; L48-M77 WeakPolarHBondContact CD2-O 3.48Å; L48-M77 HydrophobicContact CG-CE 4.43Å; L48-L78 HydrophobicContact CD2-CD2 4.21Å; L48-L81 HydrophobicContact CD2-CD1 3.84Å; L48-L81 HydrophobicContact CD2-CD2 4.14Å; L48-L81 HydrophobicContact CD2-CG 3.93Å
49E96.3Very high92.5Very high86 Ų8650.4 Ų50.440%0.40228%0.275SS..Hα-helixtrans-67.5-51.9-176.8-173.3-78.1150.600111.5R13 F47 L51 L52 E53R13-E49 IonicContact NE-OE2 3.92Å; F47-E49 PolarHBondContact O-N 3.01Å; E49-L51 PolarHBondContact O-N 2.96Å; E49-L52 PolarHBondContact O-N 2.98Å; E49-L52 VanDerWaalsContact O-N 3.17Å; E49-E53 WeakPolarHBondContact O-CG 3.39Å; E49-E53 PolarHBondContact O-N 2.65Å; E49-E53 WeakPolarHBondContact OE1-CG 3.09Å
50P96.8Very high92.7Very high2 Ų253 Ų531%0.01328%0.283CS..Hα-helixtrans-56.8-44.2175.4-24.430.8000113.7A12 R13 V16 F47 L52 E53 A54A12-P50 HydrophobicContact CB-CB 4.34Å; A12-P50 HydrophobicContact CB-CG 4.22Å; R13-P50 HydrophobicContact CG-CB 4.26Å; R13-P50 HydrophobicContact CG-CG 3.7Å; V16-P50 HydrophobicContact CG2-CB 3.88Å; F47-P50 WeakPolarHBondContact O-CD 3.27Å; P50-L52 VanDerWaalsContact C-N 3.35Å; P50-L52 PolarHBondContact O-N 2.87Å; P50-E53 PolarHBondContact O-N 3.43Å; P50-A54 PolarHBondContact O-N 2.61Å
51L96.6Very high92.9Very high0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-67.8-35.7-179.9-69171.3000112.1I3 L35 F47 E49 A54 K55 L61 L63 L78 L81I3-L51 HydrophobicContact CD1-CD2 3.9Å; L35-L51 HydrophobicContact CD2-CD1 4.1Å; F47-L51 HydrophobicContact CB-CD1 3.9Å; F47-L51 HydrophobicContact CB-CG 4.4Å; F47-L51 VanDerWaalsContact O-CB 3.26Å; F47-L51 WeakPolarHBondContact O-CB 3.31Å; F47-L51 WeakPolarHBondContact O-CD1 3.49Å; F47-L51 WeakPolarHBondContact O-CG 3.34Å; F47-L51 PolarHBondContact O-N 3.08Å; E49-L51 PolarHBondContact O-N 2.96Å; L51-A54 WeakPolarHBondContact O-CB 3.48Å; L51-A54 PolarHBondContact O-N 2.84Å; L51-K55 PolarHBondContact O-N 3.35Å; L51-L61 HydrophobicContact CB-CD1 4.25Å; L51-L61 HydrophobicContact CD2-CD2 4.06Å; L51-L63 HydrophobicContact CD1-CD2 3.78Å; L51-L63 HydrophobicContact CD2-CD2 4.11Å; L51-L78 HydrophobicContact CD1-CD2 4.26Å; L51-L81 HydrophobicContact CB-CD1 3.72Å; L51-L81 HydrophobicContact CD1-CD1 3.88Å; L51-L81 HydrophobicContact CG-CD1 4.48Å
52L95.9Very high93Very high71 Ų7146.5 Ų46.537%0.37225%0.248SC..Hα-helixtrans-65.6-40.1174.3-17962.4000111.3L48 E49 P50 K55 K56 L81L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 PolarHBondContact O-N 2.94Å; E49-L52 PolarHBondContact O-N 2.98Å; E49-L52 VanDerWaalsContact O-N 3.17Å; P50-L52 VanDerWaalsContact C-N 3.35Å; P50-L52 PolarHBondContact O-N 2.87Å; L52-K55 PolarHBondContact O-N 2.83Å; L52-K56 HydrophobicContact CG-CD 4.42Å; L52-K56 WeakPolarHBondContact O-CG 3.46Å; L52-K56 PolarHBondContact O-N 2.96Å; L52-L81 HydrophobicContact CB-CD2 4.06Å; L52-L81 HydrophobicContact CD1-CD2 4.39Å
53E97.1Very high93.4Very high72 Ų7245.3 Ų45.334%0.33624%0.235SC..Hα-helixtrans-62.5-44.4174.2-68.1-158.9137.300112.2E49 P50 K55 K56 A57E49-E53 WeakPolarHBondContact O-CG 3.39Å; E49-E53 PolarHBondContact O-N 2.65Å; E49-E53 WeakPolarHBondContact OE1-CG 3.09Å; P50-E53 PolarHBondContact O-N 3.43Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.49Å; E53-K56 PolarHBondContact O-N 3.32Å; E53-A57 PolarHBondContact O-N 3.31Å
54A95.6Very high93.5Very high0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-55-49.1173.300000111.9V16 L33 P50 L51 K56 A57 G58 L59 L61V16-A54 HydrophobicContact CG1-CB 3.96Å; V16-A54 HydrophobicContact CG2-CB 4.29Å; L33-A54 HydrophobicContact CD1-CB 3.38Å; P50-A54 PolarHBondContact O-N 2.61Å; L51-A54 WeakPolarHBondContact O-CB 3.48Å; L51-A54 PolarHBondContact O-N 2.84Å; A54-K56 VanDerWaalsContact C-N 3.34Å; A54-K56 PolarHBondContact O-N 3.19Å; A54-A57 WeakPolarHBondContact O-CB 3.22Å; A54-A57 PolarHBondContact O-N 2.88Å; A54-A57 VanDerWaalsContact O-N 3.08Å; A54-G58 PolarHBondContact O-N 2.8Å; A54-L59 HydrophobicContact CB-CB 4.26Å; A54-L59 HydrophobicContact CB-CD1 4.12Å; A54-L59 WeakPolarHBondContact O-CB 3.18Å; A54-L59 PolarHBondContact O-N 3.24Å; A54-L59 VanDerWaalsContact O-N 3.13Å; A54-L61 HydrophobicContact CB-CD2 4.22Å
55K93.2Very high93.3Very high65 Ų6539.6 Ų39.628%0.28321%0.208SC..Hα-helixtrans-61.2-42179-163.6-169.9-171.881.10112L51 L52 E53 A57 G58 L61 L81 L82L51-K55 PolarHBondContact O-N 3.35Å; L52-K55 PolarHBondContact O-N 2.83Å; E53-K55 VanDerWaalsContact C-N 3.33Å; E53-K55 PolarHBondContact O-N 3.49Å; K55-A57 PolarHBondContact O-N 2.97Å; K55-G58 PolarHBondContact O-N 2.69Å; K55-L61 HydrophobicContact CB-CD1 4.21Å; K55-L81 WeakPolarHBondContact CD-O 3.15Å; K55-L81 VanDerWaalsContact CE-O 3.22Å; K55-L81 WeakPolarHBondContact CE-O 3.24Å; K55-L81 PolarHBondContact NZ-O 3.48Å; K55-L82 PolarHBondContact NZ-O 2.92Å
56K95.1Very high93Very high158 Ų15834.9 Ų34.969%0.68718%0.183SC*.Hα-helixtrans-61.5-32.2175.5-74.7170.2-179.5169.40112.3L52 E53 A54 G58L52-K56 HydrophobicContact CG-CD 4.42Å; L52-K56 WeakPolarHBondContact O-CG 3.46Å; L52-K56 PolarHBondContact O-N 2.96Å; E53-K56 PolarHBondContact O-N 3.32Å; A54-K56 VanDerWaalsContact C-N 3.34Å; A54-K56 PolarHBondContact O-N 3.19Å; K56-G58 PolarHBondContact O-N 3.4Å
57A94.6Very high92.3Very high39 Ų3933.7 Ų33.732%0.32218%0.176SC..THydrogen-bonded Turntrans-76.4-4.4174.400000113.7K20 F23 E53 A54 K55K20-A57 HydrophobicContact CD-CB 4.21Å; K20-A57 HydrophobicContact CG-CB 3.83Å; F23-A57 WeakPolarHBondContact CE1-O 3.39Å; E53-A57 PolarHBondContact O-N 3.31Å; A54-A57 WeakPolarHBondContact O-CB 3.22Å; A54-A57 PolarHBondContact O-N 2.88Å; A54-A57 VanDerWaalsContact O-N 3.08Å; K55-A57 PolarHBondContact O-N 2.97Å
58G91.9Very high91.7Very high41 Ų4135.6 Ų35.642%0.42319%0.185SC..THydrogen-bonded Turntrans92.91179.200000114.7A54 K55 K56A54-G58 PolarHBondContact O-N 2.8Å; K55-G58 PolarHBondContact O-N 2.69Å; K56-G58 PolarHBondContact O-N 3.4Å
59L92.9Very high91.1Very high3 Ų337 Ų372%0.01620%0.196CC..  trans-67.2139.8173.5-74.1163.4000110.5A19 K20 F23 V30 L33 A54A19-L59 HydrophobicContact CB-CD1 3.85Å; K20-L59 HydrophobicContact CG-CD1 3.98Å; F23-L59 HydrophobicContact CB-CD2 3.83Å; F23-L59 HydrophobicContact CB-CG 4.39Å; F23-L59 HydrophobicContact CD2-CD2 3.75Å; F23-L59 HydrophobicContact CD2-CG 4.44Å; F23-L59 HydrophobicContact CG-CD2 3.89Å; F23-L59 HydrophobicContact CG-CG 4.31Å; V30-L59 HydrophobicContact CG1-CD2 4.32Å; L33-L59 HydrophobicContact CD1-CD1 3.75Å; L33-L59 HydrophobicContact CG-CD1 4.47Å; A54-L59 HydrophobicContact CB-CB 4.26Å; A54-L59 HydrophobicContact CB-CD1 4.12Å; A54-L59 WeakPolarHBondContact O-CB 3.18Å; A54-L59 PolarHBondContact O-N 3.24Å; A54-L59 VanDerWaalsContact O-N 3.13Å
60K91.9Very high90.5Very high78 Ų7839.1 Ų39.134%0.33921%0.211SC..EExtended strand (participates in β ladder)trans-78.6145.9173.9-61.8-65.7-178.1-177.10111.2L31 G32 L33 D84 F224L31-K60 WeakPolarHBondContact O-CB 3.12Å; L31-K60 PolarHBondContact O-N 3.29Å; G32-K60 CarbonylContact C-O 3.43Å; G32-K60 WeakPolarHBondContact CA-O 3.45Å; L33-K60 PolarHBondContact N-O 3.36Å; K60-D84 WeakPolarHBondContact CA-OD2 3.28Å; K60-D84 HydrophobicContact CB-CB 4.49Å; K60-D84 HydrophobicContact CD-CB 4.2Å; K60-D84 WeakPolarHBondContact CD-OD1 3.32Å; K60-D84 IonicContact NZ-OD1 2.86Å; K60-D84 PolarHBondContact NZ-OD1 3.07Å; K60-F224 HydrophobicContact CB-CB 4.15Å; K60-F224 HydrophobicContact CB-CD1 3.61Å; K60-F224 HydrophobicContact CB-CD2 3.45Å; K60-F224 VanDerWaalsContact CB-CD2 3.45Å; K60-F224 HydrophobicContact CB-CE1 3.75Å; K60-F224 HydrophobicContact CB-CE2 3.59Å; K60-F224 HydrophobicContact CB-CG 3.47Å; K60-F224 VanDerWaalsContact CB-CG 3.47Å; K60-F224 HydrophobicContact CB-CZ 3.74Å; K60-F224 HydrophobicContact CD-CD1 4.32Å; K60-F224 HydrophobicContact CG-CB 3.97Å; K60-F224 HydrophobicContact CG-CD1 3.81Å; K60-F224 HydrophobicContact CG-CD2 4.23Å; K60-F224 HydrophobicContact CG-CE1 4.34Å; K60-F224 HydrophobicContact CG-CG 3.76Å
61L90.4Very high89.9Confident0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-113123.6179.3-59.4-175000111L33 L51 A54 K55 L63 P83 D84 R85L33-L61 HydrophobicContact CB-CD2 4.2Å; L51-L61 HydrophobicContact CB-CD1 4.25Å; L51-L61 HydrophobicContact CD2-CD2 4.06Å; A54-L61 HydrophobicContact CB-CD2 4.22Å; K55-L61 HydrophobicContact CB-CD1 4.21Å; L61-L63 HydrophobicContact CB-CD2 4.5Å; L61-P83 HydrophobicContact CB-CB 4.36Å; L61-D84 PolarHBondContact N-OD2 2.78Å; L61-D84 WeakPolarHBondContact O-CA 3.49Å; L61-D84 WeakPolarHBondContact O-CB 3.39Å; L61-D84 PolarHBondContact O-N 3Å; L61-R85 PolarHBondContact O-N 3.39Å
62A90.9Very high89.4Confident8 Ų846.1 Ų46.17%0.06624%0.24CC..EExtended strand (participates in β ladder)trans-105.2128.2158.600000107.2L33 D34 L35 R85 F224L33-A62 PolarHBondContact O-N 3.38Å; D34-A62 VanDerWaalsContact CA-O 3.23Å; D34-A62 WeakPolarHBondContact CA-O 3.34Å; L35-A62 PolarHBondContact N-O 2.98Å; L35-A62 VanDerWaalsContact N-O 3.15Å; A62-R85 WeakPolarHBondContact CA-O 3.49Å; A62-R85 HydrophobicContact CB-CB 4.26Å; A62-F224 HydrophobicContact CB-CE2 4.25Å; A62-F224 HydrophobicContact CB-CZ 4.16Å
63L90.8Very high88.9Confident0 Ų050.4 Ų50.40%026%0.256CS..EExtended strand (participates in β ladder)trans-124.1126.8-179.8-57.2-180000109.5L35 L51 L61 L65 L78 L81 P83 R85 I86 G87L35-L63 HydrophobicContact CB-CD2 3.59Å; L35-L63 HydrophobicContact CD2-CD2 4.42Å; L51-L63 HydrophobicContact CD1-CD2 3.78Å; L51-L63 HydrophobicContact CD2-CD2 4.11Å; L61-L63 HydrophobicContact CB-CD2 4.5Å; L63-L65 HydrophobicContact CB-CD1 4.26Å; L63-L65 HydrophobicContact CB-CD2 4Å; L63-L65 HydrophobicContact CB-CG 3.9Å; L63-L65 PolarHBondContact O-N 2.93Å; L63-L78 HydrophobicContact CD1-CB 4.17Å; L63-L81 HydrophobicContact CD1-CD1 4.37Å; L63-P83 HydrophobicContact CB-CB 4.37Å; L63-P83 HydrophobicContact CD1-CB 3.74Å; L63-P83 HydrophobicContact CD1-CG 4.07Å; L63-P83 HydrophobicContact CG-CB 3.82Å; L63-P83 HydrophobicContact CG-CG 4.49Å; L63-R85 PolarHBondContact N-O 3.28Å; L63-R85 VanDerWaalsContact N-O 3.09Å; L63-I86 WeakPolarHBondContact O-CA 3.47Å; L63-G87 PolarHBondContact O-N 3.01Å
64H89.3Confident88.5Confident16 Ų1647.9 Ų47.97%0.07424%0.244CC..EExtended strand (participates in β ladder)trans-73113.5166.1-70.1-139.3000108.4R5 D34 L35 E67 H88R5-H64 PolarHBondContact NH2-O 2.62Å; D34-H64 IonicContact OD1-CD2 4Å; D34-H64 PolarHBondContact OD1-CD2 2.91Å; D34-H64 VanDerWaalsContact OD1-CD2 3.24Å; D34-H64 IonicContact OD1-NE2 3.98Å; L35-H64 VanDerWaalsContact O-CB 3.26Å; L35-H64 WeakPolarHBondContact O-CB 3.46Å; L35-H64 PolarHBondContact O-N 2.84Å; H64-E67 VanDerWaalsContact CB-OE1 3.3Å; H64-E67 WeakPolarHBondContact CB-OE1 3.46Å; H64-E67 IonicContact ND1-OE2 3.91Å; H64-H88 AromaticContact CE1-CD2 3.75Å; H64-H88 AromaticContact CE1-NE2 3.45Å; H64-H88 PolarHBondContact CE1-NE2 3.4Å; H64-H88 AromaticContact CG-CD2 3.79Å; H64-H88 AromaticContact ND1-CD2 3.2Å; H64-H88 PolarHBondContact ND1-CD2 3.01Å; H64-H88 AromaticContact ND1-NE2 3.17Å; H64-H88 PolarHBondContact ND1-NE2 3.07Å; H64-H88 VanDerWaalsContact ND1-NE2 3.17Å
65L85.3Confident88.2Confident0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-128.1151.9-176.1-58.5179.3000110.1L63 E67 L78 L79 I86 G87 G89L63-L65 HydrophobicContact CB-CD1 4.26Å; L63-L65 HydrophobicContact CB-CD2 4Å; L63-L65 HydrophobicContact CB-CG 3.9Å; L63-L65 PolarHBondContact O-N 2.93Å; L65-E67 PolarHBondContact O-N 3.37Å; L65-E67 VanDerWaalsContact O-N 3.15Å; L65-L78 HydrophobicContact CD1-CB 4.41Å; L65-L78 HydrophobicContact CD2-CB 3.39Å; L65-L78 HydrophobicContact CD2-CD1 3.28Å; L65-L78 HydrophobicContact CD2-CG 3.94Å; L65-L79 HydrophobicContact CD1-CD2 3.82Å; L65-L79 HydrophobicContact CD1-CG 4.03Å; L65-I86 HydrophobicContact CB-CG2 3.99Å; L65-I86 HydrophobicContact CD1-CD1 4.26Å; L65-I86 HydrophobicContact CD1-CG1 4.01Å; L65-I86 HydrophobicContact CD1-CG2 4.22Å; L65-I86 HydrophobicContact CG-CG2 4.29Å; L65-G87 PolarHBondContact N-O 3.11Å; L65-G87 VanDerWaalsContact N-O 3.07Å; L65-G89 VanDerWaalsContact O-CA 3.24Å; L65-G89 WeakPolarHBondContact O-CA 3.33Å; L65-G89 PolarHBondContact O-N 2.89Å
66A84.3Confident87.9Confident4 Ų448.9 Ų48.93%0.03325%0.25CC..  trans52.336.4173.200000114I68 N75 T90 F91 L92A66-I68 PolarHBondContact O-N 2.93Å; A66-N75 WeakPolarHBondContact CB-ND2 2.97Å; A66-N75 PolarHBondContact N-OD1 3Å; A66-T90 CarbonylContact O-C 3.4Å; A66-T90 WeakPolarHBondContact O-CA 3.43Å; A66-T90 WeakPolarHBondContact O-CB 3.45Å; A66-T90 PolarHBondContact O-N 3.22Å; A66-T90 PolarHBondContact O-OG1 2.86Å; A66-F91 HydrophobicContact CB-CB 4.31Å; A66-F91 WeakPolarHBondContact O-CD2 3.39Å; A66-F91 PolarHBondContact O-N 3.21Å; A66-L92 HydrophobicContact CB-CD2 4.24Å; A66-L92 HydrophobicContact CB-CG 4.08Å
67E78.1Confident87.7Confident28 Ų2843.3 Ų43.313%0.13123%0.227CC..SBendtrans-70.6-22176.7-70171.6-91.500113.1P39 H64 L65 H88 F91P39-E67 HydrophobicContact CB-CB 3.88Å; P39-E67 HydrophobicContact CG-CB 3.87Å; H64-E67 VanDerWaalsContact CB-OE1 3.3Å; H64-E67 WeakPolarHBondContact CB-OE1 3.46Å; H64-E67 IonicContact ND1-OE2 3.91Å; L65-E67 PolarHBondContact O-N 3.37Å; L65-E67 VanDerWaalsContact O-N 3.15Å; E67-H88 HydrophobicContact CG-CB 3.71Å; E67-H88 VanDerWaalsContact CG-CD2 3.48Å; E67-H88 WeakPolarHBondContact CG-CD2 3.39Å; E67-H88 IonicContact OE2-CD2 3.43Å; E67-H88 IonicContact OE2-NE2 2.94Å; E67-H88 PolarHBondContact OE2-NE2 3.44Å; E67-F91 WeakPolarHBondContact O-CD2 3.37Å; E67-F91 VanDerWaalsContact O-CE2 3.24Å; E67-F91 WeakPolarHBondContact O-CE2 3.39Å
68I82.6Confident87.5Confident40 Ų4041.4 Ų41.421%0.20521%0.211CC..SBendtrans-134.1153.1-18061.9178.4000110.4P39 T40 A66 R71 F91P39-I68 HydrophobicContact CB-CD1 4.22Å; P39-I68 HydrophobicContact CB-CG1 4.31Å; P39-I68 HydrophobicContact CG-CD1 4.37Å; P39-I68 HydrophobicContact CG-CG2 3.88Å; T40-I68 HydrophobicContact CG2-CD1 3.77Å; A66-I68 PolarHBondContact O-N 2.93Å; I68-R71 HydrophobicContact CD1-CG 4.12Å; I68-R71 HydrophobicContact CG1-CG 3.64Å; I68-F91 VanDerWaalsContact CA-CD2 3.4Å
69P82.8Confident87.4Confident65 Ų6539.5 Ų39.542%0.42219%0.191SC..SBendtrans-68.7165.5-179.227.6-34.6000112.7R71 F91P69-R71 PolarHBondContact O-N 3.12Å; P69-F91 HydrophobicContact CB-CD1 3.57Å; P69-F91 HydrophobicContact CB-CE1 3.89Å; P69-F91 HydrophobicContact CB-CG 4.1Å; P69-F91 HydrophobicContact CG-CD1 4.21Å; P69-F91 HydrophobicContact CG-CE1 4.07Å; P69-F91 HydrophobicContact CG-CZ 4.43Å
70N83.6Confident87.2Confident132 Ų13243.2 Ų43.271%0.70622%0.218SC*.SBendtrans62.435.3175.4-50.3-56.9000114.3E72N70-E72 WeakPolarHBondContact CA-OE1 3.38Å; N70-E72 VanDerWaalsContact CA-OE2 3.28Å; N70-E72 WeakPolarHBondContact CA-OE2 3.45Å; N70-E72 PolarHBondContact N-OE1 2.96Å
71R85.8Confident87Confident71 Ų7140.2 Ų40.227%0.26821%0.205SC..  trans-115.322.9178.5-66.1-62.8-176.5147.2-4.5113.1I68 P69 K73 E74 N75I68-R71 HydrophobicContact CD1-CG 4.12Å; I68-R71 HydrophobicContact CG1-CG 3.64Å; P69-R71 PolarHBondContact O-N 3.12Å; R71-K73 VanDerWaalsContact C-N 3.33Å; R71-K73 PolarHBondContact O-N 3.46Å; R71-E74 IonicContact CZ-OE2 3.92Å; R71-E74 IonicContact NH1-OE2 2.99Å; R71-E74 PolarHBondContact NH1-OE2 3.3Å; R71-E74 PolarHBondContact O-N 3.18Å; R71-E74 VanDerWaalsContact O-N 3.09Å; R71-N75 VanDerWaalsContact O-CG 3.26Å; R71-N75 PolarHBondContact O-N 2.64Å; R71-N75 PolarHBondContact O-ND2 2.83Å
72E84.7Confident86.9Confident77 Ų7743.8 Ų43.836%0.3622%0.224SC..Hα-helixtrans-58.1-43.9-168.5-62.173.3-159.300112.2N70 N75 Q76 S93 Q102N70-E72 WeakPolarHBondContact CA-OE1 3.38Å; N70-E72 VanDerWaalsContact CA-OE2 3.28Å; N70-E72 WeakPolarHBondContact CA-OE2 3.45Å; N70-E72 PolarHBondContact N-OE1 2.96Å; E72-N75 PolarHBondContact O-N 3.08Å; E72-Q76 WeakPolarHBondContact O-CB 3.44Å; E72-Q76 PolarHBondContact O-N 3.41Å; E72-S93 WeakPolarHBondContact CG-OG 3.16Å; E72-Q102 PolarHBondContact O-NE2 2.95Å
73K86.4Confident86.8Confident161 Ų16143.6 Ų43.670%0.722%0.222SC*.Hα-helixtrans-63.9-42.9179-174.1178.3179.6-178.10112.2R71 Q76 M77R71-K73 VanDerWaalsContact C-N 3.33Å; R71-K73 PolarHBondContact O-N 3.46Å; K73-Q76 PolarHBondContact O-N 3.02Å; K73-M77 HydrophobicContact CG-SD 4.24Å; K73-M77 VanDerWaalsContact O-CG 3.23Å; K73-M77 WeakPolarHBondContact O-CG 3.41Å; K73-M77 PolarHBondContact O-N 2.99Å; K73-M77 VanDerWaalsContact O-N 3.07Å
74E88.7Confident86.7Confident20 Ų2045.7 Ų45.79%0.09323%0.233CC..Hα-helixtrans-66.2-46.6177.6155.8163.7-157.400111.1R5 A44 R71 Q76 M77 L78R5-E74 IonicContact CZ-OE1 2.76Å; R5-E74 IonicContact NH1-OE1 3.45Å; R5-E74 PolarHBondContact NH1-OE1 2.83Å; R5-E74 IonicContact NH2-OE1 3.6Å; R5-E74 PolarHBondContact NH2-OE1 2.95Å; A44-E74 HydrophobicContact CB-CB 4.3Å; A44-E74 HydrophobicContact CB-CG 4.07Å; R71-E74 IonicContact CZ-OE2 3.92Å; R71-E74 IonicContact NH1-OE2 2.99Å; R71-E74 PolarHBondContact NH1-OE2 3.3Å; R71-E74 PolarHBondContact O-N 3.18Å; R71-E74 VanDerWaalsContact O-N 3.09Å; E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 3.43Å; E74-M77 WeakPolarHBondContact O-CB 3.41Å; E74-M77 PolarHBondContact O-N 3.29Å; E74-L78 HydrophobicContact CG-CD1 4.02Å; E74-L78 WeakPolarHBondContact O-CG 3.47Å; E74-L78 PolarHBondContact O-N 3.07Å
75N88.4Confident86.6Confident3 Ų345.7 Ų45.72%0.01623%0.232CC..Hα-helixtrans-57.6-45.8175.5-65-19.9000110.9A66 R71 E72 M77 L78 L79 Q102A66-N75 WeakPolarHBondContact CB-ND2 2.97Å; A66-N75 PolarHBondContact N-OD1 3Å; R71-N75 VanDerWaalsContact O-CG 3.26Å; R71-N75 PolarHBondContact O-N 2.64Å; R71-N75 PolarHBondContact O-ND2 2.83Å; E72-N75 PolarHBondContact O-N 3.08Å; N75-M77 VanDerWaalsContact C-N 3.32Å; N75-M77 PolarHBondContact O-N 2.99Å; N75-L78 PolarHBondContact O-N 2.57Å; N75-L79 VanDerWaalsContact O-CB 3.25Å; N75-L79 WeakPolarHBondContact O-CB 3.33Å; N75-L79 WeakPolarHBondContact O-CG 3.21Å; N75-L79 PolarHBondContact O-N 3.06Å; N75-Q102 PolarHBondContact ND2-OE1 2.99Å
76Q88.2Confident86.6Confident83 Ų8345.7 Ų45.739%0.38823%0.232SC..Hα-helixtrans-61.1-41.4178.5-172.7-179.811.200112.1E72 K73 E74 S80 L100E72-Q76 WeakPolarHBondContact O-CB 3.44Å; E72-Q76 PolarHBondContact O-N 3.41Å; K73-Q76 PolarHBondContact O-N 3.02Å; E74-Q76 VanDerWaalsContact C-N 3.32Å; E74-Q76 PolarHBondContact O-N 3.43Å; Q76-S80 PolarHBondContact O-N 3.41Å; Q76-S80 VanDerWaalsContact O-N 3.08Å; Q76-L100 HydrophobicContact CG-CB 4.46Å; Q76-L100 HydrophobicContact CG-CD2 4.16Å
77M90.4Very high86.4Confident40 Ų4045.6 Ų45.620%0.19723%0.232CC..Hα-helixtrans-63.5-46.8177-72.5168.462.200111.4A44 N45 L48 K73 E74 N75 S80A44-M77 HydrophobicContact CB-CB 4.05Å; A44-M77 HydrophobicContact CB-CE 3.76Å; A44-M77 HydrophobicContact CB-SD 4.22Å; N45-M77 HydrophobicContact CB-CE 4.37Å; N45-M77 VanDerWaalsContact CG-CE 3.48Å; N45-M77 WeakPolarHBondContact OD1-CE 3.48Å; L48-M77 HydrophobicContact CD1-CB 4.39Å; L48-M77 HydrophobicContact CD1-CE 3.62Å; L48-M77 HydrophobicContact CD2-CB 4.37Å; L48-M77 WeakPolarHBondContact CD2-O 3.48Å; L48-M77 HydrophobicContact CG-CE 4.43Å; K73-M77 HydrophobicContact CG-SD 4.24Å; K73-M77 VanDerWaalsContact O-CG 3.23Å; K73-M77 WeakPolarHBondContact O-CG 3.41Å; K73-M77 PolarHBondContact O-N 2.99Å; K73-M77 VanDerWaalsContact O-N 3.07Å; E74-M77 WeakPolarHBondContact O-CB 3.41Å; E74-M77 PolarHBondContact O-N 3.29Å; N75-M77 VanDerWaalsContact C-N 3.32Å; N75-M77 PolarHBondContact O-N 2.99Å; M77-S80 WeakPolarHBondContact O-CB 3.41Å; M77-S80 PolarHBondContact O-N 2.93Å; M77-S80 PolarHBondContact O-OG 3.22Å
78L90.7Very high86.3Confident0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-71-35.9-179.9-66.4170.2000112.2L35 A44 L48 L51 L63 L65 E74 N75 S80 L81L35-L78 HydrophobicContact CD2-CD1 4.19Å; L35-L78 HydrophobicContact CD2-CD2 4.11Å; A44-L78 HydrophobicContact CB-CD1 4.43Å; A44-L78 HydrophobicContact CB-CD2 4.29Å; A44-L78 HydrophobicContact CB-CG 4.06Å; L48-L78 HydrophobicContact CD2-CD2 4.21Å; L51-L78 HydrophobicContact CD1-CD2 4.26Å; L63-L78 HydrophobicContact CD1-CB 4.17Å; L65-L78 HydrophobicContact CD1-CB 4.41Å; L65-L78 HydrophobicContact CD2-CB 3.39Å; L65-L78 HydrophobicContact CD2-CD1 3.28Å; L65-L78 HydrophobicContact CD2-CG 3.94Å; E74-L78 HydrophobicContact CG-CD1 4.02Å; E74-L78 WeakPolarHBondContact O-CG 3.47Å; E74-L78 PolarHBondContact O-N 3.07Å; N75-L78 PolarHBondContact O-N 2.57Å; L78-S80 PolarHBondContact O-N 2.9Å; L78-L81 HydrophobicContact CD2-CD1 4.35Å; L78-L81 VanDerWaalsContact O-CB 3.29Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.46Å; L78-L81 VanDerWaalsContact O-N 3.12Å
79L88.4Confident85.8Confident0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-62-29.8172.2-76172.2000112.5L65 N75 L81 L82 I86 L92 Q102 F105 V106L65-L79 HydrophobicContact CD1-CD2 3.82Å; L65-L79 HydrophobicContact CD1-CG 4.03Å; N75-L79 VanDerWaalsContact O-CB 3.25Å; N75-L79 WeakPolarHBondContact O-CB 3.33Å; N75-L79 WeakPolarHBondContact O-CG 3.21Å; N75-L79 PolarHBondContact O-N 3.06Å; L79-L81 PolarHBondContact O-N 3.33Å; L79-L81 VanDerWaalsContact O-N 3.16Å; L79-L82 WeakPolarHBondContact O-CA 3.38Å; L79-L82 PolarHBondContact O-N 3.22Å; L79-I86 HydrophobicContact CD2-CD1 3.52Å; L79-I86 HydrophobicContact CD2-CG1 4.47Å; L79-L92 HydrophobicContact CD1-CD2 4.31Å; L79-Q102 HydrophobicContact CD1-CB 4.02Å; L79-Q102 HydrophobicContact CD1-CG 4.25Å; L79-F105 HydrophobicContact CB-CD1 4.24Å; L79-F105 HydrophobicContact CB-CE1 3.99Å; L79-F105 HydrophobicContact CD1-CD1 4.43Å; L79-F105 HydrophobicContact CD2-CD1 4.31Å; L79-F105 HydrophobicContact CD2-CE1 4.42Å; L79-V106 HydrophobicContact CD2-CG2 4.01Å
80S89.2Confident85.3Confident82 Ų8239.9 Ų39.957%0.57320%0.199SC*.THydrogen-bonded Turntrans-64.1-17.3176.281.60000113.5Q76 M77 L78 L82Q76-S80 PolarHBondContact O-N 3.41Å; Q76-S80 VanDerWaalsContact O-N 3.08Å; M77-S80 WeakPolarHBondContact O-CB 3.41Å; M77-S80 PolarHBondContact O-N 2.93Å; M77-S80 PolarHBondContact O-OG 3.22Å; L78-S80 PolarHBondContact O-N 2.9Å; S80-L82 PolarHBondContact O-N 3.44Å
81L87.8Confident84.8Confident14 Ų1435.8 Ų35.87%0.07318%0.175CC..THydrogen-bonded Turntrans-76-6.3170.9-59.4173.6000113.1L48 L51 L52 K55 L63 L78 L79L48-L81 HydrophobicContact CD2-CD1 3.84Å; L48-L81 HydrophobicContact CD2-CD2 4.14Å; L48-L81 HydrophobicContact CD2-CG 3.93Å; L51-L81 HydrophobicContact CB-CD1 3.72Å; L51-L81 HydrophobicContact CD1-CD1 3.88Å; L51-L81 HydrophobicContact CG-CD1 4.48Å; L52-L81 HydrophobicContact CB-CD2 4.06Å; L52-L81 HydrophobicContact CD1-CD2 4.39Å; K55-L81 WeakPolarHBondContact CD-O 3.15Å; K55-L81 VanDerWaalsContact CE-O 3.22Å; K55-L81 WeakPolarHBondContact CE-O 3.24Å; K55-L81 PolarHBondContact NZ-O 3.48Å; L63-L81 HydrophobicContact CD1-CD1 4.37Å; L78-L81 HydrophobicContact CD2-CD1 4.35Å; L78-L81 VanDerWaalsContact O-CB 3.29Å; L78-L81 WeakPolarHBondContact O-CB 3.38Å; L78-L81 PolarHBondContact O-N 3.46Å; L78-L81 VanDerWaalsContact O-N 3.12Å; L79-L81 PolarHBondContact O-N 3.33Å; L79-L81 VanDerWaalsContact O-N 3.16Å
82L87.8Confident84.4Confident76 Ų7632.4 Ų32.440%0.39816%0.162SC..  trans51.861.1-176.6-65.1168.7000111.7K55 L79 S80 F105K55-L82 PolarHBondContact NZ-O 2.92Å; L79-L82 WeakPolarHBondContact O-CA 3.38Å; L79-L82 PolarHBondContact O-N 3.22Å; S80-L82 PolarHBondContact O-N 3.44Å; L82-F105 HydrophobicContact CD2-CE1 4Å; L82-F105 HydrophobicContact CD2-CZ 3.52Å
83P88.9Confident83.6Confident4 Ų430.1 Ų30.13%0.02615%0.154CC..  trans-58.7149.5-176.927.9-36000111.6L61 L63 R85 I86 I111L61-P83 HydrophobicContact CB-CB 4.36Å; L63-P83 HydrophobicContact CB-CB 4.37Å; L63-P83 HydrophobicContact CD1-CB 3.74Å; L63-P83 HydrophobicContact CD1-CG 4.07Å; L63-P83 HydrophobicContact CG-CB 3.82Å; L63-P83 HydrophobicContact CG-CG 4.49Å; P83-R85 VanDerWaalsContact C-N 3.32Å; P83-I86 HydrophobicContact CG-CD1 4.46Å; P83-I86 HydrophobicContact CG-CG1 3.94Å; P83-I111 WeakPolarHBondContact O-CG2 3.18Å
84D88.9Confident82.6Confident44 Ų4424 Ų2424%0.23513%0.134CC..SBendtrans-76.2-24.1179.5-60.8-98.2000111.7K60 L61 P112 F224K60-D84 WeakPolarHBondContact CA-OD2 3.28Å; K60-D84 HydrophobicContact CB-CB 4.49Å; K60-D84 HydrophobicContact CD-CB 4.2Å; K60-D84 WeakPolarHBondContact CD-OD1 3.32Å; K60-D84 IonicContact NZ-OD1 2.86Å; K60-D84 PolarHBondContact NZ-OD1 3.07Å; L61-D84 PolarHBondContact N-OD2 2.78Å; L61-D84 WeakPolarHBondContact O-CA 3.49Å; L61-D84 WeakPolarHBondContact O-CB 3.39Å; L61-D84 PolarHBondContact O-N 3Å; D84-P112 WeakPolarHBondContact O-CD 3.21Å; D84-F224 HydrophobicContact CB-CD1 4.45Å; D84-F224 HydrophobicContact CB-CE1 3.51Å; D84-F224 HydrophobicContact CB-CZ 3.96Å
85R87.1Confident81Confident15 Ų1524.9 Ų24.96%0.05714%0.142CC..EExtended strand (participates in β ladder)trans-146153.3170.4-64-167.4-57.5-105.70.9111L61 A62 L63 P83 V114 E116 Y122 Y222 F224L61-R85 PolarHBondContact O-N 3.39Å; A62-R85 WeakPolarHBondContact CA-O 3.49Å; A62-R85 HydrophobicContact CB-CB 4.26Å; L63-R85 PolarHBondContact N-O 3.28Å; L63-R85 VanDerWaalsContact N-O 3.09Å; P83-R85 VanDerWaalsContact C-N 3.32Å; R85-V114 HydrophobicContact CB-CB 4.46Å; R85-V114 HydrophobicContact CB-CG2 4.5Å; R85-V114 HydrophobicContact CG-CG2 4.17Å; R85-E116 IonicContact NH2-OE1 2.83Å; R85-E116 PolarHBondContact NH2-OE1 2.91Å; R85-Y122 PolarHBondContact NH2-OH 3.3Å; R85-Y222 WeakPolarHBondContact CD-O 3.24Å; R85-Y222 PolarHBondContact NH1-O 2.93Å; R85-Y222 VanDerWaalsContact NH1-O 3.08Å; R85-F224 HydrophobicContact CB-CZ 4.39Å; R85-F224 HydrophobicContact CG-CE1 3.82Å; R85-F224 HydrophobicContact CG-CZ 4Å; R85-F224 VanDerWaalsContact CZ-CE2 3.44Å; R85-F224 VanDerWaalsContact NH1-CG 3.34Å; R85-F224 VanDerWaalsContact NH1-CZ 3.3Å
86I85.6Confident78.9Confident0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-116.2124171.5-64.1166.3000109.1L63 L65 L79 P83 V106 I111 P112 L113 V114L63-I86 WeakPolarHBondContact O-CA 3.47Å; L65-I86 HydrophobicContact CB-CG2 3.99Å; L65-I86 HydrophobicContact CD1-CD1 4.26Å; L65-I86 HydrophobicContact CD1-CG1 4.01Å; L65-I86 HydrophobicContact CD1-CG2 4.22Å; L65-I86 HydrophobicContact CG-CG2 4.29Å; L79-I86 HydrophobicContact CD2-CD1 3.52Å; L79-I86 HydrophobicContact CD2-CG1 4.47Å; P83-I86 HydrophobicContact CG-CD1 4.46Å; P83-I86 HydrophobicContact CG-CG1 3.94Å; I86-V106 HydrophobicContact CD1-CG2 3.63Å; I86-I111 HydrophobicContact CD1-CB 4.33Å; I86-I111 HydrophobicContact CD1-CG2 3.71Å; I86-I111 HydrophobicContact CG1-CG2 3.77Å; I86-P112 PolarHBondContact N-O 2.84Å; I86-L113 HydrophobicContact CB-CD2 3.91Å; I86-L113 HydrophobicContact CD1-CD2 4.46Å; I86-L113 HydrophobicContact CG2-CD2 4.08Å; I86-V114 CarbonylContact C-O 2.69Å; I86-V114 CarbonylContact O-C 3.52Å; I86-V114 PolarHBondContact O-N 2.99Å
87G80.3Confident76.7Confident2 Ų233.8 Ų33.82%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-81.2141.3167.300000110.5L63 L65 G89 V114L63-G87 PolarHBondContact O-N 3.01Å; L65-G87 PolarHBondContact N-O 3.11Å; L65-G87 VanDerWaalsContact N-O 3.07Å; G87-G89 PolarHBondContact O-N 3.06Å; G87-V114 WeakPolarHBondContact CA-O 3.25Å; G87-V114 PolarHBondContact N-O 2.8Å
88H75.4Confident74.6Confident14 Ų1436.1 Ų36.17%0.06524%0.237CC..EExtended strand (participates in β ladder)trans56.7-101.3-172.5-55-92.5000109.8H64 E67 L115 W149 E150 D185H64-H88 AromaticContact CE1-CD2 3.75Å; H64-H88 AromaticContact CE1-NE2 3.45Å; H64-H88 PolarHBondContact CE1-NE2 3.4Å; H64-H88 AromaticContact CG-CD2 3.79Å; H64-H88 AromaticContact ND1-CD2 3.2Å; H64-H88 PolarHBondContact ND1-CD2 3.01Å; H64-H88 AromaticContact ND1-NE2 3.17Å; H64-H88 PolarHBondContact ND1-NE2 3.07Å; H64-H88 VanDerWaalsContact ND1-NE2 3.17Å; E67-H88 HydrophobicContact CG-CB 3.71Å; E67-H88 VanDerWaalsContact CG-CD2 3.48Å; E67-H88 WeakPolarHBondContact CG-CD2 3.39Å; E67-H88 IonicContact OE2-CD2 3.43Å; E67-H88 IonicContact OE2-NE2 2.94Å; E67-H88 PolarHBondContact OE2-NE2 3.44Å; H88-L115 HydrophobicContact CB-CD1 4.37Å; H88-L115 VanDerWaalsContact CD2-CD2 3.43Å; H88-L115 WeakPolarHBondContact CD2-CD2 3.49Å; H88-L115 VanDerWaalsContact CE1-CD2 3.45Å; H88-L115 WeakPolarHBondContact CE1-CD2 3.36Å; H88-L115 WeakPolarHBondContact ND1-CD1 3.46Å; H88-L115 WeakPolarHBondContact NE2-CD2 3.41Å; H88-W149 CarbonylContact C-O 3.58Å; H88-W149 VanDerWaalsContact C-O 3.27Å; H88-E150 HydrophobicContact CB-CG 3.99Å; H88-E150 WeakPolarHBondContact CB-OE1 3.46Å; H88-E150 IonicContact CE1-OE1 3.7Å; H88-E150 IonicContact CG-OE1 2.69Å; H88-E150 IonicContact ND1-OE1 3.51Å; H88-E150 PolarHBondContact ND1-OE1 3.33Å; H88-E150 VanDerWaalsContact O-CA 3.28Å; H88-E150 WeakPolarHBondContact O-CA 3.14Å; H88-D185 IonicContact CE1-OD2 3.24Å
89G73.3Confident72.9Confident0 Ų039.2 Ų39.20%026%0.263CS..  trans90.56.3-168.400000112.5L65 G87 F91 L92 W149L65-G89 VanDerWaalsContact O-CA 3.24Å; L65-G89 WeakPolarHBondContact O-CA 3.33Å; L65-G89 PolarHBondContact O-N 2.89Å; G87-G89 PolarHBondContact O-N 3.06Å; G89-F91 PolarHBondContact O-N 2.86Å; G89-L92 WeakPolarHBondContact O-CB 3.4Å; G89-L92 VanDerWaalsContact O-CG 3.23Å; G89-L92 WeakPolarHBondContact O-CG 3.23Å; G89-L92 PolarHBondContact O-N 2.93Å; G89-W149 CarbonylContact C-O 3.44Å; G89-W149 WeakPolarHBondContact CA-O 2.93Å; G89-W149 PolarHBondContact N-O 2.9Å; G89-W149 VanDerWaalsContact O-CB 3.28Å; G89-W149 WeakPolarHBondContact O-CB 2.75Å
90T71.1Confident71.5Confident0 Ų042.6 Ų42.60%028%0.28CS..THydrogen-bonded Turntrans-47.8-36.1-165.7-27.90000114.7A66 L148 W149 E150A66-T90 CarbonylContact O-C 3.4Å; A66-T90 WeakPolarHBondContact O-CA 3.43Å; A66-T90 WeakPolarHBondContact O-CB 3.45Å; A66-T90 PolarHBondContact O-N 3.22Å; A66-T90 PolarHBondContact O-OG1 2.86Å; T90-L148 HydrophobicContact CG2-CB 4.48Å; T90-L148 CarbonylContact O-C 3.14Å; T90-L148 WeakPolarHBondContact O-CA 3.26Å; T90-L148 WeakPolarHBondContact O-CB 3.47Å; T90-L148 WeakPolarHBondContact O-CD2 3.48Å; T90-W149 VanDerWaalsContact C-N 3.29Å; T90-W149 VanDerWaalsContact CA-N 3.34Å; T90-W149 PolarHBondContact N-O 3.09Å; T90-W149 PolarHBondContact O-N 2.69Å; T90-E150 VanDerWaalsContact CA-CG 3.47Å; T90-E150 VanDerWaalsContact CB-CD 3.49Å; T90-E150 VanDerWaalsContact CB-CG 3.43Å; T90-E150 VanDerWaalsContact CG2-CD 3.43Å; T90-E150 HydrophobicContact CG2-CG 3.66Å; T90-E150 VanDerWaalsContact CG2-OE2 3.27Å; T90-E150 WeakPolarHBondContact CG2-OE2 3.44Å; T90-E150 WeakPolarHBondContact OG1-CG 3.49Å; T90-E150 PolarHBondContact OG1-OE1 3.1Å; T90-E150 PolarHBondContact OG1-OE2 3.27Å
91F74.6Confident71Confident45 Ų4540.4 Ų40.420%0.19726%0.262CS..THydrogen-bonded Turntrans-119.231.5-175.2-63.9-89.5000110.5A66 E67 I68 P69 G89 S93 L148A66-F91 HydrophobicContact CB-CB 4.31Å; A66-F91 WeakPolarHBondContact O-CD2 3.39Å; A66-F91 PolarHBondContact O-N 3.21Å; E67-F91 WeakPolarHBondContact O-CD2 3.37Å; E67-F91 VanDerWaalsContact O-CE2 3.24Å; E67-F91 WeakPolarHBondContact O-CE2 3.39Å; I68-F91 VanDerWaalsContact CA-CD2 3.4Å; P69-F91 HydrophobicContact CB-CD1 3.57Å; P69-F91 HydrophobicContact CB-CE1 3.89Å; P69-F91 HydrophobicContact CB-CG 4.1Å; P69-F91 HydrophobicContact CG-CD1 4.21Å; P69-F91 HydrophobicContact CG-CE1 4.07Å; P69-F91 HydrophobicContact CG-CZ 4.43Å; G89-F91 PolarHBondContact O-N 2.86Å; F91-S93 PolarHBondContact O-N 3.41Å; F91-S93 VanDerWaalsContact O-N 3.14Å; F91-L148 HydrophobicContact CB-CD2 4.26Å; F91-L148 HydrophobicContact CD1-CD2 3.01Å; F91-L148 HydrophobicContact CD1-CG 4.41Å; F91-L148 HydrophobicContact CE1-CD1 4.15Å; F91-L148 HydrophobicContact CE1-CD2 3.26Å; F91-L148 HydrophobicContact CE1-CG 4.35Å; F91-L148 HydrophobicContact CG-CD2 3.71Å; F91-L148 HydrophobicContact CZ-CD2 4.13Å
92L76.4Confident70.5Confident0 Ų039.9 Ų39.90%026%0.26CS..PPolyproline II helixtrans-59.3116.7171.9-76.9170.2000108.8A66 L79 G89 Q102 V103 V106 L113 W149A66-L92 HydrophobicContact CB-CD2 4.24Å; A66-L92 HydrophobicContact CB-CG 4.08Å; L79-L92 HydrophobicContact CD1-CD2 4.31Å; G89-L92 WeakPolarHBondContact O-CB 3.4Å; G89-L92 VanDerWaalsContact O-CG 3.23Å; G89-L92 WeakPolarHBondContact O-CG 3.23Å; G89-L92 PolarHBondContact O-N 2.93Å; L92-Q102 HydrophobicContact CD2-CB 3.93Å; L92-V103 HydrophobicContact CB-CG2 4.36Å; L92-V106 HydrophobicContact CD1-CG2 4.26Å; L92-L113 HydrophobicContact CD1-CD2 4.33Å; L92-W149 HydrophobicContact CB-CG 4.26Å; L92-W149 HydrophobicContact CD1-CB 4.42Å; L92-W149 PolarHBondContact O-NE1 3.39Å
93S68.8Low70Confident29 Ų2936.7 Ų36.720%0.20324%0.243CC..PPolyproline II helixtrans-85.7130.5-175.248.20000111.4E72 F91 Q102E72-S93 WeakPolarHBondContact CG-OG 3.16Å; F91-S93 PolarHBondContact O-N 3.41Å; F91-S93 VanDerWaalsContact O-N 3.14Å; S93-Q102 WeakPolarHBondContact O-CB 3.32Å; S93-Q102 PolarHBondContact O-N 3.09Å; S93-Q102 VanDerWaalsContact O-N 3.09Å; S93-Q102 PolarHBondContact OG-NE2 3.25Å
94A63.8Low69.5Low34 Ų3439.3 Ų39.328%0.28126%0.257SS..PPolyproline II helixtrans-76.4125.315400000106.9D101 V103A94-D101 WeakPolarHBondContact CA-OD2 3.27Å; A94-V103 HydrophobicContact CB-CG2 4.29Å
95S56Low69.2Low37 Ų3738.5 Ų38.526%0.25925%0.251SS..PPolyproline II helixtrans-81.7139.3-175.6-172.50000110.5A99 D101S95-A99 WeakPolarHBondContact OG-CB 3.26Å; S95-A99 PolarHBondContact OG-N 2.89Å; S95-D101 PolarHBondContact N-OD2 2.6Å
96E45Very low68.8Low162 Ų16237.8 Ų37.876%0.75725%0.249SC*.SBendtrans-75.2141.9152-69.9-168.9162.500109.3G98E96-G98 PolarHBondContact O-N 3.16Å
97A40.5Very low68.6Low112 Ų11241.2 Ų41.293%0.92626%0.262SS*.THydrogen-bonded Turntrans-14.2109.9-173.100000117.7
98G47.9Very low68.5Low88 Ų8848.1 Ų48.191%0.90729%0.293SS*.THydrogen-bonded Turntrans125.6-19.7158.700000117E96E96-G98 PolarHBondContact O-N 3.16Å
99A54.1Low68.6Low66 Ų6651.8 Ų51.855%0.54531%0.31SS..SBendtrans-96162.5169.500000111.2S95 D101S95-A99 WeakPolarHBondContact OG-CB 3.26Å; S95-A99 PolarHBondContact OG-N 2.89Å; A99-D101 PolarHBondContact O-N 3.33Å; A99-D101 VanDerWaalsContact O-N 3.09Å
100L60Low68.7Low70 Ų7057 Ų5737%0.36634%0.335SS..  trans-61.9113.5174.1-172.690.3000108.1Q76 Q102 F105Q76-L100 HydrophobicContact CG-CB 4.46Å; Q76-L100 HydrophobicContact CG-CD2 4.16Å; L100-Q102 PolarHBondContact O-N 3.12Å; L100-Q102 VanDerWaalsContact O-N 3.12Å; L100-F105 HydrophobicContact CD1-CD2 4.02Å; L100-F105 HydrophobicContact CD2-CB 4Å; L100-F105 HydrophobicContact CD2-CD2 3.67Å; L100-F105 HydrophobicContact CD2-CE2 4.25Å; L100-F105 HydrophobicContact CD2-CG 3.88Å; L100-F105 HydrophobicContact CG-CB 4.3Å; L100-F105 HydrophobicContact CG-CD2 4.22Å
101D77.3Confident68.8Low36 Ų3657.4 Ų57.419%0.19334%0.337CS..  trans-63.8112.4171.6-174.5-49000108.3A94 S95 A99 V103 D104 F105A94-D101 WeakPolarHBondContact CA-OD2 3.27Å; S95-D101 PolarHBondContact N-OD2 2.6Å; A99-D101 PolarHBondContact O-N 3.33Å; A99-D101 VanDerWaalsContact O-N 3.09Å; D101-V103 VanDerWaalsContact C-N 3.29Å; D101-V103 PolarHBondContact O-N 2.94Å; D101-V103 WeakPolarHBondContact OD1-CA 3.45Å; D101-V103 VanDerWaalsContact OD1-CB 3.31Å; D101-V103 WeakPolarHBondContact OD1-CB 3.38Å; D101-V103 PolarHBondContact OD1-N 3.08Å; D101-D104 HydrophobicContact CB-CB 3.95Å; D101-D104 PolarHBondContact O-N 2.96Å; D101-D104 PolarHBondContact OD1-N 3.27Å; D101-F105 WeakPolarHBondContact O-CB 3.22Å; D101-F105 PolarHBondContact O-N 3.48Å
102Q77.9Confident68.5Low4 Ų455.8 Ų55.82%0.01933%0.331CS..Hα-helixtrans-70.3-34.3-172.3-54.2-173.8-4.600110.6E72 N75 L79 L92 S93 L100 F105 V106E72-Q102 PolarHBondContact O-NE2 2.95Å; N75-Q102 PolarHBondContact ND2-OE1 2.99Å; L79-Q102 HydrophobicContact CD1-CB 4.02Å; L79-Q102 HydrophobicContact CD1-CG 4.25Å; L92-Q102 HydrophobicContact CD2-CB 3.93Å; S93-Q102 WeakPolarHBondContact O-CB 3.32Å; S93-Q102 PolarHBondContact O-N 3.09Å; S93-Q102 VanDerWaalsContact O-N 3.09Å; S93-Q102 PolarHBondContact OG-NE2 3.25Å; L100-Q102 PolarHBondContact O-N 3.12Å; L100-Q102 VanDerWaalsContact O-N 3.12Å; Q102-F105 PolarHBondContact O-N 3.13Å; Q102-V106 WeakPolarHBondContact O-CB 3.45Å; Q102-V106 VanDerWaalsContact O-CG2 3.27Å; Q102-V106 WeakPolarHBondContact O-CG2 3.35Å; Q102-V106 PolarHBondContact O-N 3.09Å
103V77Confident68Low8 Ų855.8 Ų55.85%0.04833%0.331CS..Hα-helixtrans-66.1-50.7177.5175.10000109.2L92 A94 D101 F105 V106 R107 W149 W173L92-V103 HydrophobicContact CB-CG2 4.36Å; A94-V103 HydrophobicContact CB-CG2 4.29Å; D101-V103 VanDerWaalsContact C-N 3.29Å; D101-V103 PolarHBondContact O-N 2.94Å; D101-V103 WeakPolarHBondContact OD1-CA 3.45Å; D101-V103 VanDerWaalsContact OD1-CB 3.31Å; D101-V103 WeakPolarHBondContact OD1-CB 3.38Å; D101-V103 PolarHBondContact OD1-N 3.08Å; V103-F105 VanDerWaalsContact C-N 3.3Å; V103-F105 PolarHBondContact O-N 3.03Å; V103-V106 PolarHBondContact O-N 2.96Å; V103-R107 WeakPolarHBondContact O-CB 3.49Å; V103-R107 WeakPolarHBondContact O-CG 3.34Å; V103-R107 PolarHBondContact O-N 3.17Å; V103-W149 HydrophobicContact CB-CH2 4.41Å; V103-W149 HydrophobicContact CB-CZ2 3.96Å; V103-W149 HydrophobicContact CG1-CH2 3.37Å; V103-W149 HydrophobicContact CG1-CZ2 3.38Å; V103-W149 HydrophobicContact CG1-CZ3 4.37Å; V103-W149 HydrophobicContact CG2-CH2 4.17Å; V103-W149 HydrophobicContact CG2-CZ2 3.29Å; V103-W173 HydrophobicContact CG1-CH2 3.91Å; V103-W173 HydrophobicContact CG1-CZ3 4.47Å
104D79.4Confident67.8Low59 Ų5955.3 Ų55.332%0.31633%0.327SS..Hα-helixtrans-65.1-35.2176.8-80.2-17.2000111.8D101 R107 Q108D101-D104 HydrophobicContact CB-CB 3.95Å; D101-D104 PolarHBondContact O-N 2.96Å; D101-D104 PolarHBondContact OD1-N 3.27Å; D104-R107 PolarHBondContact O-N 3.32Å; D104-R107 IonicContact OD1-CZ 2.65Å; D104-R107 IonicContact OD1-NH1 3.23Å; D104-R107 PolarHBondContact OD1-NH1 3.15Å; D104-Q108 VanDerWaalsContact O-CB 3.24Å; D104-Q108 WeakPolarHBondContact O-CB 3.15Å; D104-Q108 WeakPolarHBondContact O-CG 3.27Å; D104-Q108 PolarHBondContact O-N 3.49Å
105F82.3Confident67.1Low27 Ų2753.7 Ų53.712%0.11831%0.313CS..Hα-helixtrans-61.5-49.9174-175.8-91000111.6L79 L82 L100 D101 Q102 V103 R107 Q108 H109 I111L79-F105 HydrophobicContact CB-CD1 4.24Å; L79-F105 HydrophobicContact CB-CE1 3.99Å; L79-F105 HydrophobicContact CD1-CD1 4.43Å; L79-F105 HydrophobicContact CD2-CD1 4.31Å; L79-F105 HydrophobicContact CD2-CE1 4.42Å; L82-F105 HydrophobicContact CD2-CE1 4Å; L82-F105 HydrophobicContact CD2-CZ 3.52Å; L100-F105 HydrophobicContact CD1-CD2 4.02Å; L100-F105 HydrophobicContact CD2-CB 4Å; L100-F105 HydrophobicContact CD2-CD2 3.67Å; L100-F105 HydrophobicContact CD2-CE2 4.25Å; L100-F105 HydrophobicContact CD2-CG 3.88Å; L100-F105 HydrophobicContact CG-CB 4.3Å; L100-F105 HydrophobicContact CG-CD2 4.22Å; D101-F105 WeakPolarHBondContact O-CB 3.22Å; D101-F105 PolarHBondContact O-N 3.48Å; Q102-F105 PolarHBondContact O-N 3.13Å; V103-F105 VanDerWaalsContact C-N 3.3Å; V103-F105 PolarHBondContact O-N 3.03Å; F105-R107 VanDerWaalsContact C-N 3.31Å; F105-R107 PolarHBondContact O-N 3.37Å; F105-Q108 PolarHBondContact O-N 3.23Å; F105-H109 AromaticContact CD2-CE1 3.61Å; F105-H109 AromaticContact CD2-ND1 3.76Å; F105-H109 AromaticContact CE2-CE1 3.39Å; F105-H109 WeakPolarHBondContact CE2-CE1 3.33Å; F105-H109 AromaticContact CE2-ND1 3.78Å; F105-H109 AromaticContact CG-ND1 3.92Å; F105-H109 AromaticContact CZ-CE1 3.82Å; F105-H109 AromaticContact CZ-ND1 3.93Å; F105-H109 WeakPolarHBondContact O-CB 3.43Å; F105-H109 PolarHBondContact O-N 2.95Å; F105-H109 VanDerWaalsContact O-N 3.07Å; F105-H109 PolarHBondContact O-ND1 3.06Å; F105-I111 HydrophobicContact CE1-CD1 4.17Å
106V78.9Confident66.4Low0 Ų054.8 Ų54.80%031%0.314CS..Hα-helixtrans-60.4-41.8177.4166.40000110.8L79 I86 L92 Q102 V103 Q110 I111 L113 W173L79-V106 HydrophobicContact CD2-CG2 4.01Å; I86-V106 HydrophobicContact CD1-CG2 3.63Å; L92-V106 HydrophobicContact CD1-CG2 4.26Å; Q102-V106 WeakPolarHBondContact O-CB 3.45Å; Q102-V106 VanDerWaalsContact O-CG2 3.27Å; Q102-V106 WeakPolarHBondContact O-CG2 3.35Å; Q102-V106 PolarHBondContact O-N 3.09Å; V103-V106 PolarHBondContact O-N 2.96Å; V106-Q110 PolarHBondContact O-N 2.97Å; V106-I111 HydrophobicContact CG1-CB 4.34Å; V106-I111 PolarHBondContact O-N 3.48Å; V106-L113 HydrophobicContact CG1-CD2 4.3Å; V106-W173 HydrophobicContact CG1-CH2 4.27Å
107R80.5Confident65.8Low72 Ų7248.2 Ų48.227%0.27229%0.288SS..Hα-helixtrans-65.1-49.5176.7-71.817173-154.68.4112.6V103 D104 F105 H109 Q110 W173 I176V103-R107 WeakPolarHBondContact O-CB 3.49Å; V103-R107 WeakPolarHBondContact O-CG 3.34Å; V103-R107 PolarHBondContact O-N 3.17Å; D104-R107 PolarHBondContact O-N 3.32Å; D104-R107 IonicContact OD1-CZ 2.65Å; D104-R107 IonicContact OD1-NH1 3.23Å; D104-R107 PolarHBondContact OD1-NH1 3.15Å; F105-R107 VanDerWaalsContact C-N 3.31Å; F105-R107 PolarHBondContact O-N 3.37Å; R107-H109 PolarHBondContact O-N 3.15Å; R107-Q110 PolarHBondContact O-N 3.33Å; R107-Q110 VanDerWaalsContact O-N 3.11Å; R107-Q110 PolarHBondContact O-NE2 3.23Å; R107-W173 HydrophobicContact CG-CH2 4.23Å; R107-W173 HydrophobicContact CG-CZ3 3.65Å; R107-I176 HydrophobicContact CG-CD1 4.34Å
108Q78.2Confident65.5Low148 Ų14847.6 Ų47.669%0.69227%0.269SS*.Hα-helixtrans-61.3-36.3-178.7-76.1173.415.200111.8D104 F105D104-Q108 VanDerWaalsContact O-CB 3.24Å; D104-Q108 WeakPolarHBondContact O-CB 3.15Å; D104-Q108 WeakPolarHBondContact O-CG 3.27Å; D104-Q108 PolarHBondContact O-N 3.49Å; F105-Q108 PolarHBondContact O-N 3.23Å
109H77.6Confident64.7Low91 Ų9146.6 Ų46.642%0.42125%0.252SS..THydrogen-bonded Turntrans-90.8-0.8179.2-64.985.2000113.4F105 R107 I111F105-H109 AromaticContact CD2-CE1 3.61Å; F105-H109 AromaticContact CD2-ND1 3.76Å; F105-H109 AromaticContact CE2-CE1 3.39Å; F105-H109 WeakPolarHBondContact CE2-CE1 3.33Å; F105-H109 AromaticContact CE2-ND1 3.78Å; F105-H109 AromaticContact CG-ND1 3.92Å; F105-H109 AromaticContact CZ-CE1 3.82Å; F105-H109 AromaticContact CZ-ND1 3.93Å; F105-H109 WeakPolarHBondContact O-CB 3.43Å; F105-H109 PolarHBondContact O-N 2.95Å; F105-H109 VanDerWaalsContact O-N 3.07Å; F105-H109 PolarHBondContact O-ND1 3.06Å; R107-H109 PolarHBondContact O-N 3.15Å; H109-I111 HydrophobicContact CB-CD1 4Å; H109-I111 HydrophobicContact CB-CG1 3.75Å; H109-I111 PolarHBondContact O-N 2.91Å
110Q75.1Confident63.7Low108 Ų10851.8 Ų51.851%0.50527%0.265SS..THydrogen-bonded Turntrans50.738.8-178.5-65.2-72-68.900112.3V106 R107 P112V106-Q110 PolarHBondContact O-N 2.97Å; R107-Q110 PolarHBondContact O-N 3.33Å; R107-Q110 VanDerWaalsContact O-N 3.11Å; R107-Q110 PolarHBondContact O-NE2 3.23Å; Q110-P112 VanDerWaalsContact O-CD 3.28Å; Q110-P112 WeakPolarHBondContact O-CD 3.07Å
111I73.6Confident62.4Low9 Ų952.6 Ų52.65%0.04627%0.269CS..PPolyproline II helixtrans-72.1120.1-178.7-57.9174.2000108.1P83 I86 F105 V106 H109 H178P83-I111 WeakPolarHBondContact O-CG2 3.18Å; I86-I111 HydrophobicContact CD1-CB 4.33Å; I86-I111 HydrophobicContact CD1-CG2 3.71Å; I86-I111 HydrophobicContact CG1-CG2 3.77Å; F105-I111 HydrophobicContact CE1-CD1 4.17Å; V106-I111 HydrophobicContact CG1-CB 4.34Å; V106-I111 PolarHBondContact O-N 3.48Å; H109-I111 HydrophobicContact CB-CD1 4Å; H109-I111 HydrophobicContact CB-CG1 3.75Å; H109-I111 PolarHBondContact O-N 2.91Å; I111-H178 PolarHBondContact O-NE2 3.26Å
112P68.3Low60.2Low12 Ų1252.8 Ų52.88%0.07827%0.268CS..PPolyproline II helixtrans-65.6135.1-179.7-19.332.7000112D84 I86 Q110 V114 P179 Y222D84-P112 WeakPolarHBondContact O-CD 3.21Å; I86-P112 PolarHBondContact N-O 2.84Å; Q110-P112 VanDerWaalsContact O-CD 3.28Å; Q110-P112 WeakPolarHBondContact O-CD 3.07Å; P112-V114 HydrophobicContact CB-CG2 3.88Å; P112-P179 HydrophobicContact CB-CB 4.1Å; P112-P179 HydrophobicContact CG-CB 4.29Å; P112-Y222 HydrophobicContact CB-CD1 3.79Å; P112-Y222 HydrophobicContact CB-CD2 4.41Å; P112-Y222 HydrophobicContact CB-CE1 4.33Å; P112-Y222 HydrophobicContact CB-CG 3.82Å; P112-Y222 HydrophobicContact CG-CD1 3.18Å; P112-Y222 HydrophobicContact CG-CE1 3.75Å; P112-Y222 HydrophobicContact CG-CG 3.71Å
113L66.9Low57.8Low0 Ų058.8 Ų58.80%030%0.297CS..EExtended strand (participates in β ladder)trans-89.6117.5169.1-60.9176.8000108.2I86 L92 V106 L151 W173 P179 V181I86-L113 HydrophobicContact CB-CD2 3.91Å; I86-L113 HydrophobicContact CD1-CD2 4.46Å; I86-L113 HydrophobicContact CG2-CD2 4.08Å; L92-L113 HydrophobicContact CD1-CD2 4.33Å; V106-L113 HydrophobicContact CG1-CD2 4.3Å; L113-L151 HydrophobicContact CB-CD1 4.08Å; L113-L151 HydrophobicContact CB-CG 4.46Å; L113-L151 WeakPolarHBondContact O-CD1 3.2Å; L113-W173 HydrophobicContact CD1-CD2 3.6Å; L113-W173 HydrophobicContact CD1-CE3 4.39Å; L113-W173 HydrophobicContact CD1-CG 3.87Å; L113-W173 HydrophobicContact CD1-CH2 4.29Å; L113-W173 HydrophobicContact CD1-CZ2 3.46Å; L113-W173 VanDerWaalsContact CD1-CZ2 3.46Å; L113-P179 PolarHBondContact N-O 3.1Å; L113-V181 PolarHBondContact O-N 3.27Å; L113-V181 VanDerWaalsContact O-N 3.13Å
114V63.3Low55.6Low18 Ų1860.2 Ų60.211%0.10931%0.307CS..EExtended strand (participates in β ladder)trans-150.4128.3-172.5-1750000108.4R85 I86 G87 P112 V181R85-V114 HydrophobicContact CB-CB 4.46Å; R85-V114 HydrophobicContact CB-CG2 4.5Å; R85-V114 HydrophobicContact CG-CG2 4.17Å; I86-V114 CarbonylContact C-O 2.69Å; I86-V114 CarbonylContact O-C 3.52Å; I86-V114 PolarHBondContact O-N 2.99Å; G87-V114 WeakPolarHBondContact CA-O 3.25Å; G87-V114 PolarHBondContact N-O 2.8Å; P112-V114 HydrophobicContact CB-CG2 3.88Å; V114-V181 HydrophobicContact CB-CB 4.24Å; V114-V181 HydrophobicContact CG1-CB 3.96Å; V114-V181 HydrophobicContact CG1-CG1 4.15Å; V114-V181 HydrophobicContact CG2-CB 3.7Å; V114-V181 HydrophobicContact CG2-CG2 3.59Å
115L49.6Very low53.2Low0 Ų067.3 Ų67.30%033%0.329CS..  trans-98.4138.2168.3-105.7155.3000111.2H88 C152 C183H88-L115 HydrophobicContact CB-CD1 4.37Å; H88-L115 VanDerWaalsContact CD2-CD2 3.43Å; H88-L115 WeakPolarHBondContact CD2-CD2 3.49Å; H88-L115 VanDerWaalsContact CE1-CD2 3.45Å; H88-L115 WeakPolarHBondContact CE1-CD2 3.36Å; H88-L115 WeakPolarHBondContact ND1-CD1 3.46Å; H88-L115 WeakPolarHBondContact NE2-CD2 3.41Å; L115-C152 HydrophobicContact CB-CB 4.37Å; L115-C152 WeakPolarHBondContact CB-SG 3.29Å; L115-C152 HydrophobicContact CD1-CB 3.67Å; L115-C152 VanDerWaalsContact CD1-SG 3.58Å; L115-C183 HydrophobicContact CB-CB 4.4Å; L115-C183 WeakPolarHBondContact O-CB 3.23Å; L115-C183 PolarHBondContact O-SG 3.27Å
116E40.7Very low50.8Low60 Ų6070 Ų7028%0.2836%0.357SS..  trans-86.2134.5-179.7-119.8-172.5-162.300111.7R85 Y122 D185R85-E116 IonicContact NH2-OE1 2.83Å; R85-E116 PolarHBondContact NH2-OE1 2.91Å; E116-Y122 WeakPolarHBondContact OE1-CE2 3.15Å; E116-Y122 PolarHBondContact OE1-OH 3.34Å; E116-D185 WeakPolarHBondContact O-CA 3.41Å
117A32Very low48.5Very low25 Ų2572 Ų7221%0.20738%0.377CS..  trans-139.6105.2155.400000108.9T184 D185A117-T184 WeakPolarHBondContact CB-OG1 3.44Å; A117-D185 WeakPolarHBondContact CA-O 3.37Å; A117-D185 VanDerWaalsContact CB-C 3.43Å; A117-D185 WeakPolarHBondContact CB-O 2.79Å
118N34.2Very low46.2Very low98 Ų9874.5 Ų74.552%0.52440%0.403SS..  trans65.7101.7170.7-59-68.4000116.3E120N118-E120 PolarHBondContact O-N 3.5Å
119A32.4Very low43.9Very low67 Ų6774.1 Ų74.155%0.55441%0.405SS*.SBend38-14.8119.300000123.3L121A119-L121 VanDerWaalsContact C-N 3.31Å; A119-L121 PolarHBondContact O-N 3.16Å
120E31.7Very low41.4Very low176 Ų17678.2 Ų78.282%0.82243%0.429SS*.THydrogen-bonded Turntrans-82.2-3.9-171.9-76.7-173.9178.300114.6N118N118-E120 PolarHBondContact O-N 3.5Å
121L32.8Very low39.2Very low86 Ų8680.3 Ų80.345%0.4544%0.443SS..THydrogen-bonded Turntrans-99.96.9176.5-98.2157.3000114.8A119 I223 L233A119-L121 VanDerWaalsContact C-N 3.31Å; A119-L121 PolarHBondContact O-N 3.16Å; L121-I223 HydrophobicContact CD1-CG2 4.01Å; L121-I223 HydrophobicContact CD2-CB 4.2Å; L121-I223 HydrophobicContact CD2-CD1 3.99Å; L121-I223 HydrophobicContact CD2-CG2 3.63Å; L121-I223 HydrophobicContact CG-CG2 4.29Å; L121-L233 HydrophobicContact CD2-CD1 3.82Å
122Y31.5Very low37.1Very low41 Ų4191.7 Ų91.716%0.16149%0.485CS..  trans-98.913.9-173.3-71.9-78.7000116.2L31 R85 E116 F224L31-Y122 HydrophobicContact CB-CD1 3.95Å; L31-Y122 HydrophobicContact CB-CE1 4.12Å; L31-Y122 HydrophobicContact CD1-CD1 3.77Å; L31-Y122 HydrophobicContact CD1-CE1 4.5Å; L31-Y122 HydrophobicContact CG-CD1 4.1Å; R85-Y122 PolarHBondContact NH2-OH 3.3Å; E116-Y122 WeakPolarHBondContact OE1-CE2 3.15Å; E116-Y122 PolarHBondContact OE1-OH 3.34Å; Y122-F224 HydrophobicContact CE1-CB 4.05Å; Y122-F224 AromaticContact CE1-CD2 3.86Å; Y122-F224 HydrophobicContact CE1-CD2 3.86Å; Y122-F224 HydrophobicContact CE1-CG 4.39Å
123M28.8Very low35.1Very low130 Ų13099.9 Ų99.964%0.6452%0.522SS*.  trans-124117.6-178.6-69.6-64.2-148.900112.8T29T29-M123 HydrophobicContact CG2-CE 3.72Å; T29-M123 HydrophobicContact CG2-SD 4.12Å
124C29.7Very low33.2Very low38 Ų38107.2 Ų107.226%0.25756%0.56SS.*  trans-156.6141.9161.7-135.30000115.8T229C124-T229 HydrophobicContact CB-CG2 3.46Å; C124-T229 VanDerWaalsContact CB-CG2 3.46Å; C124-T229 WeakPolarHBondContact CB-OG1 3.17Å; C124-T229 VanDerWaalsContact SG-CG2 3.59Å
125R29.2Very low31.6Very low207 Ų207112.1 Ų112.178%0.78159%0.592SS**  trans-86.1152.1171-79.5179.2165.8176.5-3.2111.6N228R125-N228 PolarHBondContact O-ND2 3.16Å
126A31.8Very low30.8Very low84 Ų84118.1 Ų118.169%0.69463%0.629SS**  trans-96.5166.9-153.100000118
127G31.4Very low30.2Very low42 Ų42124.3 Ų124.343%0.43366%0.658SS.*  trans174.1134.3163.800000113.1
128P30.5Very low30.2Very low124 Ų124130.1 Ų130.181%0.80569%0.685SS**  trans-98.7168.3-167.638.7-34.4000113.5
129L29.9Very low30Very low141 Ų141135 Ų13574%0.73870%0.702SS**  cis-172.3146.6-9.8-109.8162.9000105.6
130L26.9Very low29.9Very low177 Ų177137 Ų13793%0.92771%0.711SS**  trans167.7134135.2-93.6151.1000113.5
131L29Very low29.9Very low152 Ų152135.2 Ų135.280%0.79671%0.713SS**  trans-82.6154.4-169.8-77128.3000115.4
132R28.9Very low29.8Very low247 Ų247136.9 Ų136.993%0.93273%0.732SS**  trans-172.4128.2131.7-107.6171-176.8-154.20.5116.4
133H25.6Very low29.7Very low185 Ų185142.5 Ų142.586%0.85676%0.759SS**  trans26.6136.2143-113.966000124.3
134I27.9Very low29.9Very low154 Ų154141.5 Ų141.579%0.7976%0.76SS**  trans-128.9142170.4-59.9174.1000109.6
135P30.1Very low29.8Very low121 Ų121144.2 Ų144.279%0.78677%0.77SS**  trans-96.9154.7173.735.7-29.5000114.3
136T31.1Very low29.8Very low126 Ų126142.3 Ų142.377%0.77378%0.776SS**  trans-93.5151.3-176.948.50000113.4
137Q29.8Very low29.9Very low190 Ų190139.7 Ų139.789%0.88875%0.75SS**  trans-144.5133155.8-80.4-63.8-24.500111.3
138N30.6Very low29.8Very low146 Ų146140.8 Ų140.878%0.78175%0.745SS**  trans-76.5155.6179.8-77.7-31.3000112.7
139K30.5Very low30.5Very low202 Ų202134.9 Ų134.988%0.87871%0.707SS**  trans-161.2132.7136.5-105.4161-168.5-173.90112.6
140S31.4Very low31.3Very low107 Ų107128.3 Ų128.375%0.74867%0.672SS**  trans-89.8140.6178.658.40000111.8
141T30Very low32.8Very low140 Ų140119.9 Ų119.986%0.85963%0.628SS**  trans-158.8124.3146.110.30000109.6
142S31.7Very low34.6Very low120 Ų120112.7 Ų112.784%0.83959%0.591SS**  trans-82.3116.3178.2480000110.9
143Q29.3Very low36.8Very low160 Ų160100.9 Ų100.975%0.74855%0.546SS*.  trans-137.9107.5162.4-128.8173.7-500105.8M145Q143-M145 VanDerWaalsContact C-N 3.34Å; Q143-M145 PolarHBondContact O-N 3.38Å
144V32.2Very low39.4Very low108 Ų10892.3 Ų92.366%0.65551%0.507SS*.  trans-71.495.1177-179.20000106.9
145M28.2Very low41.6Very low95 Ų9585 Ų8547%0.46847%0.469SS..  trans-100.7138.9160.5-83.6-177.7-85.700106.3Q143 I147Q143-M145 VanDerWaalsContact C-N 3.34Å; Q143-M145 PolarHBondContact O-N 3.38Å; M145-I147 HydrophobicContact CB-CD1 3.82Å; M145-I147 HydrophobicContact CB-CG1 3.35Å; M145-I147 VanDerWaalsContact O-CG1 3.32Å; M145-I147 WeakPolarHBondContact O-CG1 3.22Å; M145-I147 PolarHBondContact O-N 3.09Å
146N28.7Very low43.8Very low168 Ų16879.3 Ų79.390%0.89843%0.432SS*.  trans-66.887.5163.1-79.7-14.8000106.5
147I33.8Very low46.2Very low28 Ų2875.4 Ų75.414%0.14441%0.406CS..  trans-95.8134.2-172.8-55.9156.6000107.4M145 W149 F172M145-I147 HydrophobicContact CB-CD1 3.82Å; M145-I147 HydrophobicContact CB-CG1 3.35Å; M145-I147 VanDerWaalsContact O-CG1 3.32Å; M145-I147 WeakPolarHBondContact O-CG1 3.22Å; M145-I147 PolarHBondContact O-N 3.09Å; I147-W149 VanDerWaalsContact C-CD1 3.44Å; I147-W149 HydrophobicContact CB-CD2 3.96Å; I147-W149 HydrophobicContact CB-CE3 4.38Å; I147-W149 HydrophobicContact CB-CH2 4.07Å; I147-W149 HydrophobicContact CB-CZ2 3.26Å; I147-W149 HydrophobicContact CD1-CH2 3.64Å; I147-W149 HydrophobicContact CD1-CZ2 3.42Å; I147-W149 VanDerWaalsContact CD1-CZ2 3.42Å; I147-W149 HydrophobicContact CG1-CH2 4.42Å; I147-W149 HydrophobicContact CG1-CZ2 3.92Å; I147-W149 HydrophobicContact CG2-CD2 3.23Å; I147-W149 HydrophobicContact CG2-CE3 3.35Å; I147-W149 HydrophobicContact CG2-CG 4.02Å; I147-W149 HydrophobicContact CG2-CH2 3.72Å; I147-W149 HydrophobicContact CG2-CZ2 3.3Å; I147-W149 HydrophobicContact CG2-CZ3 3.78Å; I147-W149 PolarHBondContact O-NE1 2.94Å; I147-F172 HydrophobicContact CD1-CD2 4.04Å; I147-F172 HydrophobicContact CD1-CE2 3.64Å; I147-F172 HydrophobicContact CD1-CZ 3.93Å
148L30Very low48.6Very low65 Ų6571.8 Ų71.834%0.3439%0.387SS..  trans-101.8151171.3-62.2173.7000108.1T90 F91 H169T90-L148 HydrophobicContact CG2-CB 4.48Å; T90-L148 CarbonylContact O-C 3.14Å; T90-L148 WeakPolarHBondContact O-CA 3.26Å; T90-L148 WeakPolarHBondContact O-CB 3.47Å; T90-L148 WeakPolarHBondContact O-CD2 3.48Å; F91-L148 HydrophobicContact CB-CD2 4.26Å; F91-L148 HydrophobicContact CD1-CD2 3.01Å; F91-L148 HydrophobicContact CD1-CG 4.41Å; F91-L148 HydrophobicContact CE1-CD1 4.15Å; F91-L148 HydrophobicContact CE1-CD2 3.26Å; F91-L148 HydrophobicContact CE1-CG 4.35Å; F91-L148 HydrophobicContact CG-CD2 3.71Å; F91-L148 HydrophobicContact CZ-CD2 4.13Å; L148-H169 VanDerWaalsContact C-ND1 3.33Å; L148-H169 WeakPolarHBondContact O-CB 3.25Å; L148-H169 PolarHBondContact O-ND1 3.22Å
149W45.7Very low50.7Low0 Ų067.8 Ų67.80%037%0.371CS..  trans-151.889.9-161.8-46.988.8000117.9H88 G89 T90 L92 V103 I147 H169 F172 W173H88-W149 CarbonylContact C-O 3.58Å; H88-W149 VanDerWaalsContact C-O 3.27Å; G89-W149 CarbonylContact C-O 3.44Å; G89-W149 WeakPolarHBondContact CA-O 2.93Å; G89-W149 PolarHBondContact N-O 2.9Å; G89-W149 VanDerWaalsContact O-CB 3.28Å; G89-W149 WeakPolarHBondContact O-CB 2.75Å; T90-W149 VanDerWaalsContact C-N 3.29Å; T90-W149 VanDerWaalsContact CA-N 3.34Å; T90-W149 PolarHBondContact N-O 3.09Å; T90-W149 PolarHBondContact O-N 2.69Å; L92-W149 HydrophobicContact CB-CG 4.26Å; L92-W149 HydrophobicContact CD1-CB 4.42Å; L92-W149 PolarHBondContact O-NE1 3.39Å; V103-W149 HydrophobicContact CB-CH2 4.41Å; V103-W149 HydrophobicContact CB-CZ2 3.96Å; V103-W149 HydrophobicContact CG1-CH2 3.37Å; V103-W149 HydrophobicContact CG1-CZ2 3.38Å; V103-W149 HydrophobicContact CG1-CZ3 4.37Å; V103-W149 HydrophobicContact CG2-CH2 4.17Å; V103-W149 HydrophobicContact CG2-CZ2 3.29Å; I147-W149 VanDerWaalsContact C-CD1 3.44Å; I147-W149 HydrophobicContact CB-CD2 3.96Å; I147-W149 HydrophobicContact CB-CE3 4.38Å; I147-W149 HydrophobicContact CB-CH2 4.07Å; I147-W149 HydrophobicContact CB-CZ2 3.26Å; I147-W149 HydrophobicContact CD1-CH2 3.64Å; I147-W149 HydrophobicContact CD1-CZ2 3.42Å; I147-W149 VanDerWaalsContact CD1-CZ2 3.42Å; I147-W149 HydrophobicContact CG1-CH2 4.42Å; I147-W149 HydrophobicContact CG1-CZ2 3.92Å; I147-W149 HydrophobicContact CG2-CD2 3.23Å; I147-W149 HydrophobicContact CG2-CE3 3.35Å; I147-W149 HydrophobicContact CG2-CG 4.02Å; I147-W149 HydrophobicContact CG2-CH2 3.72Å; I147-W149 HydrophobicContact CG2-CZ2 3.3Å; I147-W149 HydrophobicContact CG2-CZ3 3.78Å; I147-W149 PolarHBondContact O-NE1 2.94Å; W149-H169 WeakPolarHBondContact CA-ND1 3.31Å; W149-H169 PolarHBondContact N-ND1 2.74Å; W149-F172 AromaticContact CE3-CD1 3.8Å; W149-F172 HydrophobicContact CE3-CD1 3.8Å; W149-F172 HydrophobicContact CE3-CE1 4.24Å; W149-F172 HydrophobicContact CE3-CG 4.45Å; W149-F172 AromaticContact CH2-CD1 3.47Å; W149-F172 HydrophobicContact CH2-CD1 3.47Å; W149-F172 VanDerWaalsContact CH2-CD1 3.47Å; W149-F172 AromaticContact CH2-CE1 3.06Å; W149-F172 HydrophobicContact CH2-CE1 3.06Å; W149-F172 HydrophobicContact CH2-CE2 4.35Å; W149-F172 HydrophobicContact CH2-CG 4.27Å; W149-F172 AromaticContact CH2-CZ 3.55Å; W149-F172 HydrophobicContact CH2-CZ 3.55Å; W149-F172 HydrophobicContact CZ2-CE1 4.37Å; W149-F172 AromaticContact CZ3-CD1 2.92Å; W149-F172 HydrophobicContact CZ3-CD1 2.92Å; W149-F172 AromaticContact CZ3-CE1 3.01Å; W149-F172 HydrophobicContact CZ3-CE1 3.01Å; W149-F172 AromaticContact CZ3-CG 3.83Å; W149-F172 HydrophobicContact CZ3-CG 3.83Å; W149-F172 AromaticContact CZ3-CZ 3.94Å; W149-F172 HydrophobicContact CZ3-CZ 3.94Å; W149-W173 HydrophobicContact CB-CZ2 4.02Å; W149-W173 AromaticContact CD2-CE2 3.52Å; W149-W173 HydrophobicContact CD2-CH2 4.28Å; W149-W173 AromaticContact CD2-CZ2 3.34Å; W149-W173 HydrophobicContact CD2-CZ2 3.34Å; W149-W173 AromaticContact CD2-NE1 3.57Å; W149-W173 AromaticContact CE3-CD1 3.6Å; W149-W173 AromaticContact CE3-CD2 3.54Å; W149-W173 HydrophobicContact CE3-CD2 3.54Å; W149-W173 AromaticContact CE3-CE2 2.85Å; W149-W173 HydrophobicContact CE3-CE3 4.27Å; W149-W173 AromaticContact CE3-CG 3.97Å; W149-W173 HydrophobicContact CE3-CG 3.97Å; W149-W173 AromaticContact CE3-CH2 3.94Å; W149-W173 HydrophobicContact CE3-CH2 3.94Å; W149-W173 AromaticContact CE3-CZ2 3.1Å; W149-W173 HydrophobicContact CE3-CZ2 3.1Å; W149-W173 HydrophobicContact CE3-CZ3 4.45Å; W149-W173 AromaticContact CE3-NE1 2.95Å; W149-W173 AromaticContact CG-CZ2 3.84Å; W149-W173 HydrophobicContact CG-CZ2 3.84Å; W149-W173 AromaticContact CG-NE1 3.79Å; W149-W173 AromaticContact CH2-CH2 3.89Å; W149-W173 HydrophobicContact CH2-CH2 3.89Å; W149-W173 AromaticContact CH2-CZ2 3.87Å; W149-W173 HydrophobicContact CH2-CZ2 3.87Å; W149-W173 HydrophobicContact CH2-CZ3 4.24Å; W149-W173 HydrophobicContact CZ2-CZ2 4.31Å; W149-W173 AromaticContact CZ3-CD2 3.4Å; W149-W173 HydrophobicContact CZ3-CD2 3.4Å; W149-W173 AromaticContact CZ3-CE2 3.1Å; W149-W173 AromaticContact CZ3-CE3 3.68Å; W149-W173 HydrophobicContact CZ3-CE3 3.68Å; W149-W173 HydrophobicContact CZ3-CG 4.1Å; W149-W173 AromaticContact CZ3-CH2 3.5Å; W149-W173 HydrophobicContact CZ3-CH2 3.5Å; W149-W173 VanDerWaalsContact CZ3-CH2 3.5Å; W149-W173 AromaticContact CZ3-CZ2 3.16Å; W149-W173 HydrophobicContact CZ3-CZ2 3.16Å; W149-W173 AromaticContact CZ3-CZ3 3.74Å; W149-W173 HydrophobicContact CZ3-CZ3 3.74Å; W149-W173 AromaticContact CZ3-NE1 3.68Å
150E45.8Very low53.1Low3 Ų366.3 Ų66.31%0.01437%0.367CS..  trans-130.5174.3175.6-49.9179105.600115.1H88 T90 N156 T161 H168 H169H88-E150 HydrophobicContact CB-CG 3.99Å; H88-E150 WeakPolarHBondContact CB-OE1 3.46Å; H88-E150 IonicContact CE1-OE1 3.7Å; H88-E150 IonicContact CG-OE1 2.69Å; H88-E150 IonicContact ND1-OE1 3.51Å; H88-E150 PolarHBondContact ND1-OE1 3.33Å; H88-E150 VanDerWaalsContact O-CA 3.28Å; H88-E150 WeakPolarHBondContact O-CA 3.14Å; T90-E150 VanDerWaalsContact CA-CG 3.47Å; T90-E150 VanDerWaalsContact CB-CD 3.49Å; T90-E150 VanDerWaalsContact CB-CG 3.43Å; T90-E150 VanDerWaalsContact CG2-CD 3.43Å; T90-E150 HydrophobicContact CG2-CG 3.66Å; T90-E150 VanDerWaalsContact CG2-OE2 3.27Å; T90-E150 WeakPolarHBondContact CG2-OE2 3.44Å; T90-E150 WeakPolarHBondContact OG1-CG 3.49Å; T90-E150 PolarHBondContact OG1-OE1 3.1Å; T90-E150 PolarHBondContact OG1-OE2 3.27Å; E150-N156 WeakPolarHBondContact CB-OD1 3.43Å; E150-N156 PolarHBondContact OE1-ND2 2.97Å; E150-N156 WeakPolarHBondContact OE2-CB 3.41Å; E150-N156 PolarHBondContact OE2-ND2 3.16Å; E150-N156 PolarHBondContact OE2-OD1 3.35Å; E150-T161 WeakPolarHBondContact OE2-CB 3.35Å; E150-T161 PolarHBondContact OE2-OG1 3.33Å; E150-H168 PolarHBondContact O-CE1 3.04Å; E150-H169 VanDerWaalsContact C-CD2 3.42Å; E150-H169 WeakPolarHBondContact CA-NE2 3.33Å; E150-H169 VanDerWaalsContact CB-CE1 3.47Å; E150-H169 WeakPolarHBondContact CB-CE1 3.09Å; E150-H169 VanDerWaalsContact CB-NE2 3.29Å; E150-H169 WeakPolarHBondContact CB-NE2 3.46Å; E150-H169 PolarHBondContact N-CD2 2.91Å; E150-H169 PolarHBondContact N-CE1 3.04Å; E150-H169 PolarHBondContact N-ND1 2.98Å; E150-H169 PolarHBondContact N-NE2 3.27Å; E150-H169 PolarHBondContact O-CD2 2.87Å; E150-H169 PolarHBondContact O-NE2 3.23Å
151L59.5Low54.9Low1 Ų162.7 Ų62.71%0.00534%0.34CS..  trans-138.541.7172.1-57.7177.5000114.5L113 F170 S180L113-L151 HydrophobicContact CB-CD1 4.08Å; L113-L151 HydrophobicContact CB-CG 4.46Å; L113-L151 WeakPolarHBondContact O-CD1 3.2Å; L151-F170 VanDerWaalsContact CD2-CA 3.41Å; L151-F170 HydrophobicContact CD2-CB 3.49Å; L151-F170 VanDerWaalsContact CD2-CB 3.49Å; L151-F170 HydrophobicContact CD2-CD2 3.45Å; L151-F170 VanDerWaalsContact CD2-CD2 3.45Å; L151-F170 HydrophobicContact CD2-CG 3.9Å; L151-S180 VanDerWaalsContact CD1-CA 3.41Å
152C65.3Low57.1Low0 Ų056.2 Ų56.20%030%0.301CS..  trans-127.985.4172.7-80.60000110.7L115 T154 S155 N156 C183 D185L115-C152 HydrophobicContact CB-CB 4.37Å; L115-C152 WeakPolarHBondContact CB-SG 3.29Å; L115-C152 HydrophobicContact CD1-CB 3.67Å; L115-C152 VanDerWaalsContact CD1-SG 3.58Å; C152-T154 VanDerWaalsContact C-N 3.33Å; C152-T154 PolarHBondContact O-N 3.32Å; C152-S155 PolarHBondContact O-N 2.94Å; C152-S155 VanDerWaalsContact O-N 3.13Å; C152-N156 VanDerWaalsContact C-OD1 3.25Å; C152-N156 PolarHBondContact N-OD1 2.67Å; C152-N156 VanDerWaalsContact N-OD1 3.15Å; C152-N156 WeakPolarHBondContact O-CB 3.42Å; C152-N156 PolarHBondContact O-N 3.43Å; C152-N156 PolarHBondContact O-OD1 3.43Å; C152-C183 VanDerWaalsContact SG-C 3.58Å; C152-C183 PolarHBondContact SG-O 2.87Å; C152-D185 HydrophobicContact CB-CB 4.17Å
153L75.6Confident59.3Low0 Ų055.2 Ų55.20%029%0.292CS..Hα-helixtrans-49.5-53.7-170-74.184.1000111.3I157 Y165 E197 L200 A201 F205L153-I157 WeakPolarHBondContact O-CG1 3.31Å; L153-I157 PolarHBondContact O-N 3.4Å; L153-Y165 HydrophobicContact CB-CD1 3.87Å; L153-Y165 HydrophobicContact CB-CE1 3.82Å; L153-Y165 HydrophobicContact CD2-CD1 4.13Å; L153-Y165 HydrophobicContact CG-CD1 4.4Å; L153-Y165 WeakPolarHBondContact O-CE1 3.4Å; L153-E197 PolarHBondContact N-OE2 3.48Å; L153-L200 HydrophobicContact CD2-CB 3.92Å; L153-A201 HydrophobicContact CD1-CB 4.2Å; L153-A201 HydrophobicContact CD2-CB 4.15Å; L153-F205 HydrophobicContact CD2-CE2 4.27Å
154T79.5Confident61.9Low4 Ų449.2 Ų49.23%0.02527%0.267CS..Hα-helixtrans-68.5-42.5-177-62.60000113.1C152 N156 K158 F190 E197 L200C152-T154 VanDerWaalsContact C-N 3.33Å; C152-T154 PolarHBondContact O-N 3.32Å; T154-N156 VanDerWaalsContact C-N 3.33Å; T154-N156 PolarHBondContact O-N 3.29Å; T154-K158 HydrophobicContact CG2-CD 3.88Å; T154-K158 HydrophobicContact CG2-CG 4.35Å; T154-K158 WeakPolarHBondContact O-CB 3.46Å; T154-K158 WeakPolarHBondContact O-CG 3.39Å; T154-K158 PolarHBondContact O-N 2.94Å; T154-F190 HydrophobicContact CG2-CB 4.13Å; T154-E197 WeakPolarHBondContact CB-OE1 3.45Å; T154-E197 PolarHBondContact N-OE2 3.49Å; T154-E197 PolarHBondContact OG1-OE1 3.09Å; T154-E197 PolarHBondContact OG1-OE2 2.99Å; T154-L200 WeakPolarHBondContact OG1-CD1 3.29Å
155S75.5Confident64.5Low1 Ų147.5 Ų47.51%0.00725%0.249CC..Hα-helixtrans-60.8-44.6178.71770000110.5C152 I157 K158 S159 D185 F190C152-S155 PolarHBondContact O-N 2.94Å; C152-S155 VanDerWaalsContact O-N 3.13Å; S155-I157 PolarHBondContact O-N 3.18Å; S155-K158 PolarHBondContact O-N 2.86Å; S155-S159 WeakPolarHBondContact O-CB 3.39Å; S155-S159 PolarHBondContact O-N 2.79Å; S155-S159 PolarHBondContact O-OG 2.89Å; S155-D185 VanDerWaalsContact CB-OD2 3.3Å; S155-D185 WeakPolarHBondContact CB-OD2 3.24Å; S155-D185 PolarHBondContact OG-OD2 3.32Å; S155-F190 WeakPolarHBondContact OG-CE2 3.42Å; S155-F190 WeakPolarHBondContact OG-CZ 3.43Å
156N75.9Confident67.1Low1 Ų148.4 Ų48.41%0.00526%0.256CS..Hα-helixtrans-68.8-38.6-173.6-55.7148.7000112.3E150 C152 T154 Q160 T161 V162 H168E150-N156 WeakPolarHBondContact CB-OD1 3.43Å; E150-N156 PolarHBondContact OE1-ND2 2.97Å; E150-N156 WeakPolarHBondContact OE2-CB 3.41Å; E150-N156 PolarHBondContact OE2-ND2 3.16Å; E150-N156 PolarHBondContact OE2-OD1 3.35Å; C152-N156 VanDerWaalsContact C-OD1 3.25Å; C152-N156 PolarHBondContact N-OD1 2.67Å; C152-N156 VanDerWaalsContact N-OD1 3.15Å; C152-N156 WeakPolarHBondContact O-CB 3.42Å; C152-N156 PolarHBondContact O-N 3.43Å; C152-N156 PolarHBondContact O-OD1 3.43Å; T154-N156 VanDerWaalsContact C-N 3.33Å; T154-N156 PolarHBondContact O-N 3.29Å; N156-Q160 PolarHBondContact O-N 3.49Å; N156-Q160 VanDerWaalsContact O-N 3.16Å; N156-T161 WeakPolarHBondContact CA-OG1 3.42Å; N156-T161 VanDerWaalsContact CB-OG1 3.31Å; N156-T161 WeakPolarHBondContact CB-OG1 2.75Å; N156-T161 PolarHBondContact O-N 3.3Å; N156-T161 PolarHBondContact O-OG1 3Å; N156-T161 VanDerWaalsContact O-OG1 3.1Å; N156-V162 HydrophobicContact CB-CB 4.17Å; N156-V162 HydrophobicContact CB-CG2 3.86Å; N156-V162 PolarHBondContact O-N 3.17Å; N156-H168 PolarHBondContact OD1-NE2 2.9Å
157I81.5Confident69.6Low44 Ų4446.4 Ų46.423%0.22624%0.242CC..Hα-helixtrans-67.6-44.7173.1-61.8-50.6000111.3L153 S155 S159 Q160 V162 S164 Y165L153-I157 WeakPolarHBondContact O-CG1 3.31Å; L153-I157 PolarHBondContact O-N 3.4Å; S155-I157 PolarHBondContact O-N 3.18Å; I157-S159 VanDerWaalsContact C-N 3.34Å; I157-S159 PolarHBondContact O-N 3.07Å; I157-Q160 PolarHBondContact O-N 2.93Å; I157-V162 HydrophobicContact CD1-CB 4.01Å; I157-V162 HydrophobicContact CD1-CG1 3.9Å; I157-V162 VanDerWaalsContact CD1-O 3.28Å; I157-V162 WeakPolarHBondContact CD1-O 3.28Å; I157-S164 VanDerWaalsContact CD1-C 3.43Å; I157-Y165 HydrophobicContact CB-CE1 4.23Å; I157-Y165 HydrophobicContact CD1-CD1 4.29Å; I157-Y165 HydrophobicContact CG1-CD1 3.58Å; I157-Y165 HydrophobicContact CG1-CE1 3.39Å; I157-Y165 HydrophobicContact CG1-CE2 4.4Å; I157-Y165 HydrophobicContact CG1-CG 4.17Å
158K80.4Confident71.8Confident114 Ų11445.2 Ų45.250%0.49624%0.235SC..Hα-helixtrans-69-33.7-178.2-74.9-174.2174.6-175.30113T154 S155 Q160 F190T154-K158 HydrophobicContact CG2-CD 3.88Å; T154-K158 HydrophobicContact CG2-CG 4.35Å; T154-K158 WeakPolarHBondContact O-CB 3.46Å; T154-K158 WeakPolarHBondContact O-CG 3.39Å; T154-K158 PolarHBondContact O-N 2.94Å; S155-K158 PolarHBondContact O-N 2.86Å; K158-Q160 PolarHBondContact O-N 2.83Å; K158-F190 HydrophobicContact CB-CD1 4Å; K158-F190 HydrophobicContact CB-CE1 4.14Å; K158-F190 HydrophobicContact CD-CB 4.33Å; K158-F190 HydrophobicContact CD-CD1 3.78Å; K158-F190 HydrophobicContact CG-CD1 4.49Å; K158-F190 PolarHBondContact NZ-O 2.93Å
159S75.3Confident74Confident62 Ų6242.6 Ų42.643%0.43422%0.221SC..THydrogen-bonded Turntrans-81.8-2.8176-540000112.9S155 I157 T161S155-S159 WeakPolarHBondContact O-CB 3.39Å; S155-S159 PolarHBondContact O-N 2.79Å; S155-S159 PolarHBondContact O-OG 2.89Å; I157-S159 VanDerWaalsContact C-N 3.34Å; I157-S159 PolarHBondContact O-N 3.07Å; S159-T161 PolarHBondContact O-N 3.01Å
160Q79.7Confident75.8Confident172 Ų17242.6 Ų42.680%0.80422%0.221SC*.THydrogen-bonded Turntrans5925.7-179-53.6177.318.600113.5N156 I157 K158N156-Q160 PolarHBondContact O-N 3.49Å; N156-Q160 VanDerWaalsContact O-N 3.16Å; I157-Q160 PolarHBondContact O-N 2.93Å; K158-Q160 PolarHBondContact O-N 2.83Å
161T69.1Low77.6Confident30 Ų3043.5 Ų43.518%0.18423%0.231CC..SBendtrans-79.5-25.5174.159.50000111.5E150 N156 S159E150-T161 WeakPolarHBondContact OE2-CB 3.35Å; E150-T161 PolarHBondContact OE2-OG1 3.33Å; N156-T161 WeakPolarHBondContact CA-OG1 3.42Å; N156-T161 VanDerWaalsContact CB-OG1 3.31Å; N156-T161 WeakPolarHBondContact CB-OG1 2.75Å; N156-T161 PolarHBondContact O-N 3.3Å; N156-T161 PolarHBondContact O-OG1 3Å; N156-T161 VanDerWaalsContact O-OG1 3.1Å; S159-T161 PolarHBondContact O-N 3.01Å
162V75.6Confident78.7Confident5 Ų546.1 Ų46.13%0.0324%0.243CC..SBendtrans-126.6136173.6177.10000109.2N156 I157 S164 H168 H169N156-V162 HydrophobicContact CB-CB 4.17Å; N156-V162 HydrophobicContact CB-CG2 3.86Å; N156-V162 PolarHBondContact O-N 3.17Å; I157-V162 HydrophobicContact CD1-CB 4.01Å; I157-V162 HydrophobicContact CD1-CG1 3.9Å; I157-V162 VanDerWaalsContact CD1-O 3.28Å; I157-V162 WeakPolarHBondContact CD1-O 3.28Å; V162-S164 VanDerWaalsContact CG1-O 3.24Å; V162-S164 WeakPolarHBondContact CG1-O 3.47Å; V162-H168 HydrophobicContact CG1-CB 4.04Å; V162-H169 WeakPolarHBondContact CG2-CE1 3.44Å
163P78.3Confident79.4Confident99 Ų9946.1 Ų46.164%0.64324%0.243SC*.SBendtrans-74-31.4-174.928-35.8000114.1Q167P163-Q167 HydrophobicContact CG-CB 4.17Å
164S85.4Confident79.7Confident33 Ų3349.2 Ų49.223%0.23126%0.255CS..  trans-161158.2-179.261.30000111.6I157 V162 D166 Q167 H168I157-S164 VanDerWaalsContact CD1-C 3.43Å; V162-S164 VanDerWaalsContact CG1-O 3.24Å; V162-S164 WeakPolarHBondContact CG1-O 3.47Å; S164-D166 VanDerWaalsContact C-N 3.34Å; S164-D166 WeakPolarHBondContact CB-OD1 3.22Å; S164-D166 PolarHBondContact O-N 3Å; S164-D166 PolarHBondContact OG-OD1 3.24Å; S164-Q167 PolarHBondContact O-N 2.95Å; S164-Q167 WeakPolarHBondContact OG-CG 3.5Å; S164-H168 PolarHBondContact O-N 3.48Å
165Y84.9Confident79.9Confident72 Ų7253.2 Ų53.228%0.28228%0.283SS..G310 helixtrans-61.8-38.3-176-65.1-65.3000112.9L153 I157 Q167 H168 L200 T204 F205L153-Y165 HydrophobicContact CB-CD1 3.87Å; L153-Y165 HydrophobicContact CB-CE1 3.82Å; L153-Y165 HydrophobicContact CD2-CD1 4.13Å; L153-Y165 HydrophobicContact CG-CD1 4.4Å; L153-Y165 WeakPolarHBondContact O-CE1 3.4Å; I157-Y165 HydrophobicContact CB-CE1 4.23Å; I157-Y165 HydrophobicContact CD1-CD1 4.29Å; I157-Y165 HydrophobicContact CG1-CD1 3.58Å; I157-Y165 HydrophobicContact CG1-CE1 3.39Å; I157-Y165 HydrophobicContact CG1-CE2 4.4Å; I157-Y165 HydrophobicContact CG1-CG 4.17Å; Y165-Q167 PolarHBondContact O-N 3.47Å; Y165-H168 WeakPolarHBondContact O-CB 3.23Å; Y165-H168 PolarHBondContact O-N 3.32Å; Y165-L200 HydrophobicContact CE1-CD1 4.36Å; Y165-L200 HydrophobicContact CE2-CD2 4.4Å; Y165-T204 WeakPolarHBondContact O-CG2 3.3Å; Y165-F205 WeakPolarHBondContact O-CZ 3.41Å
166D84.4Confident80.2Confident115 Ų11556.1 Ų56.162%0.61530%0.298SS*.G310 helixtrans-66.4-24178.862.3-51.2000113.3S164 H168S164-D166 VanDerWaalsContact C-N 3.34Å; S164-D166 WeakPolarHBondContact CB-OD1 3.22Å; S164-D166 PolarHBondContact O-N 3Å; S164-D166 PolarHBondContact OG-OD1 3.24Å; D166-H168 VanDerWaalsContact C-N 3.3Å
167Q80.2Confident80.5Confident126 Ų12660.1 Ų60.159%0.58933%0.331SS*.G310 helixtrans-91.43.6173.5-62.6-174.221.800112.4P163 S164 Y165 H169P163-Q167 HydrophobicContact CG-CB 4.17Å; S164-Q167 PolarHBondContact O-N 2.95Å; S164-Q167 WeakPolarHBondContact OG-CG 3.5Å; Y165-Q167 PolarHBondContact O-N 3.47Å; Q167-H169 PolarHBondContact O-N 3.24Å
168H81Confident80.4Confident3 Ų358.5 Ų58.51%0.01432%0.322CS..  trans-72.4124.9179.2-174.3-76.3000109.7E150 N156 V162 S164 Y165 D166 F170 G171 F205E150-H168 PolarHBondContact O-CE1 3.04Å; N156-H168 PolarHBondContact OD1-NE2 2.9Å; V162-H168 HydrophobicContact CG1-CB 4.04Å; S164-H168 PolarHBondContact O-N 3.48Å; Y165-H168 WeakPolarHBondContact O-CB 3.23Å; Y165-H168 PolarHBondContact O-N 3.32Å; D166-H168 VanDerWaalsContact C-N 3.3Å; H168-F170 WeakPolarHBondContact ND1-CB 3.22Å; H168-F170 PolarHBondContact ND1-N 3.29Å; H168-F170 VanDerWaalsContact ND1-N 3.19Å; H168-F170 PolarHBondContact O-N 3.16Å; H168-G171 PolarHBondContact O-N 2.63Å; H168-G171 VanDerWaalsContact O-N 3.1Å; H168-F205 HydrophobicContact CB-CZ 4Å; H168-F205 WeakPolarHBondContact O-CE1 3.25Å; H168-F205 WeakPolarHBondContact O-CZ 2.89Å
169H76.2Confident80.4Confident10 Ų1053.5 Ų53.55%0.04630%0.302CS..THydrogen-bonded Turntrans-59.5-8.3-176.442.6-113000116.9L148 W149 E150 V162 Q167 G171 F172 W173L148-H169 VanDerWaalsContact C-ND1 3.33Å; L148-H169 WeakPolarHBondContact O-CB 3.25Å; L148-H169 PolarHBondContact O-ND1 3.22Å; W149-H169 WeakPolarHBondContact CA-ND1 3.31Å; W149-H169 PolarHBondContact N-ND1 2.74Å; E150-H169 VanDerWaalsContact C-CD2 3.42Å; E150-H169 WeakPolarHBondContact CA-NE2 3.33Å; E150-H169 VanDerWaalsContact CB-CE1 3.47Å; E150-H169 WeakPolarHBondContact CB-CE1 3.09Å; E150-H169 VanDerWaalsContact CB-NE2 3.29Å; E150-H169 WeakPolarHBondContact CB-NE2 3.46Å; E150-H169 PolarHBondContact N-CD2 2.91Å; E150-H169 PolarHBondContact N-CE1 3.04Å; E150-H169 PolarHBondContact N-ND1 2.98Å; E150-H169 PolarHBondContact N-NE2 3.27Å; E150-H169 PolarHBondContact O-CD2 2.87Å; E150-H169 PolarHBondContact O-NE2 3.23Å; V162-H169 WeakPolarHBondContact CG2-CE1 3.44Å; Q167-H169 PolarHBondContact O-N 3.24Å; H169-G171 PolarHBondContact O-N 3.04Å; H169-F172 PolarHBondContact O-N 2.77Å; H169-F172 VanDerWaalsContact O-N 3.1Å; H169-W173 PolarHBondContact O-N 3.5Å; H169-W173 VanDerWaalsContact O-N 3.08Å
170F83.5Confident80.5Confident0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-49.5-44.9165.5171.9-87.6000109.4L151 H168 F172 W173 Y174 I182 F205 L207 L215L151-F170 VanDerWaalsContact CD2-CA 3.41Å; L151-F170 HydrophobicContact CD2-CB 3.49Å; L151-F170 VanDerWaalsContact CD2-CB 3.49Å; L151-F170 HydrophobicContact CD2-CD2 3.45Å; L151-F170 VanDerWaalsContact CD2-CD2 3.45Å; L151-F170 HydrophobicContact CD2-CG 3.9Å; H168-F170 WeakPolarHBondContact ND1-CB 3.22Å; H168-F170 PolarHBondContact ND1-N 3.29Å; H168-F170 VanDerWaalsContact ND1-N 3.19Å; H168-F170 PolarHBondContact O-N 3.16Å; F170-F172 VanDerWaalsContact C-N 3.29Å; F170-F172 PolarHBondContact O-N 3.4Å; F170-W173 PolarHBondContact O-N 3.36Å; F170-Y174 HydrophobicContact CE1-CD1 4.35Å; F170-Y174 HydrophobicContact CE1-CD2 4.38Å; F170-Y174 AromaticContact CE1-CG 3.93Å; F170-Y174 HydrophobicContact CE1-CG 3.93Å; F170-Y174 HydrophobicContact CE2-CD2 4.48Å; F170-Y174 AromaticContact CZ-CD2 3.84Å; F170-Y174 HydrophobicContact CZ-CD2 3.84Å; F170-Y174 AromaticContact CZ-CG 3.86Å; F170-Y174 HydrophobicContact CZ-CG 3.86Å; F170-Y174 WeakPolarHBondContact O-CB 3.29Å; F170-Y174 PolarHBondContact O-N 3.37Å; F170-I182 HydrophobicContact CE2-CD1 4.22Å; F170-I182 HydrophobicContact CE2-CG1 4.15Å; F170-F205 HydrophobicContact CB-CE2 3.85Å; F170-F205 HydrophobicContact CB-CZ 4Å; F170-F205 HydrophobicContact CD1-CB 4.41Å; F170-F205 HydrophobicContact CD1-CD1 4.24Å; F170-F205 AromaticContact CD1-CD2 3.21Å; F170-F205 HydrophobicContact CD1-CD2 3.21Å; F170-F205 HydrophobicContact CD1-CE1 4.37Å; F170-F205 AromaticContact CD1-CE2 3.38Å; F170-F205 HydrophobicContact CD1-CE2 3.38Å; F170-F205 AromaticContact CD1-CG 3.68Å; F170-F205 HydrophobicContact CD1-CG 3.68Å; F170-F205 AromaticContact CD1-CZ 3.98Å; F170-F205 HydrophobicContact CD1-CZ 3.98Å; F170-F205 HydrophobicContact CE1-CB 4.22Å; F170-F205 AromaticContact CE1-CD2 3.68Å; F170-F205 HydrophobicContact CE1-CD2 3.68Å; F170-F205 HydrophobicContact CE1-CE2 4.28Å; F170-F205 AromaticContact CE1-CG 3.98Å; F170-F205 HydrophobicContact CE1-CG 3.98Å; F170-F205 HydrophobicContact CG-CD2 4.2Å; F170-F205 AromaticContact CG-CE2 3.96Å; F170-F205 HydrophobicContact CG-CE2 3.96Å; F170-F205 HydrophobicContact CG-CZ 4.48Å; F170-L207 HydrophobicContact CE1-CD1 3.96Å; F170-L207 HydrophobicContact CE1-CD2 4.5Å; F170-L207 HydrophobicContact CZ-CD1 3.97Å; F170-L215 HydrophobicContact CE2-CD1 4.23Å; F170-L215 HydrophobicContact CE2-CD2 4.1Å; F170-L215 HydrophobicContact CZ-CD1 3.68Å; F170-L215 HydrophobicContact CZ-CD2 4.14Å
171G82.9Confident80.8Confident21 Ų2143.5 Ų43.522%0.21625%0.25CS..Hα-helixtrans-57-43.2-179.700000112.3H168 H169 S175 F205H168-G171 PolarHBondContact O-N 2.63Å; H168-G171 VanDerWaalsContact O-N 3.1Å; H169-G171 PolarHBondContact O-N 3.04Å; G171-S175 WeakPolarHBondContact O-CB 2.93Å; G171-S175 PolarHBondContact O-N 3.03Å; G171-S175 PolarHBondContact O-OG 3.12Å; G171-F205 VanDerWaalsContact CA-CE1 3.42Å
172F82.5Confident81.5Confident57 Ų5742.3 Ų42.325%0.2524%0.242CC..Hα-helixtrans-64.8-55.3176.4177.6-74.7000111.2I147 W149 H169 F170 Y174 S175 I176I147-F172 HydrophobicContact CD1-CD2 4.04Å; I147-F172 HydrophobicContact CD1-CE2 3.64Å; I147-F172 HydrophobicContact CD1-CZ 3.93Å; W149-F172 AromaticContact CE3-CD1 3.8Å; W149-F172 HydrophobicContact CE3-CD1 3.8Å; W149-F172 HydrophobicContact CE3-CE1 4.24Å; W149-F172 HydrophobicContact CE3-CG 4.45Å; W149-F172 AromaticContact CH2-CD1 3.47Å; W149-F172 HydrophobicContact CH2-CD1 3.47Å; W149-F172 VanDerWaalsContact CH2-CD1 3.47Å; W149-F172 AromaticContact CH2-CE1 3.06Å; W149-F172 HydrophobicContact CH2-CE1 3.06Å; W149-F172 HydrophobicContact CH2-CE2 4.35Å; W149-F172 HydrophobicContact CH2-CG 4.27Å; W149-F172 AromaticContact CH2-CZ 3.55Å; W149-F172 HydrophobicContact CH2-CZ 3.55Å; W149-F172 HydrophobicContact CZ2-CE1 4.37Å; W149-F172 AromaticContact CZ3-CD1 2.92Å; W149-F172 HydrophobicContact CZ3-CD1 2.92Å; W149-F172 AromaticContact CZ3-CE1 3.01Å; W149-F172 HydrophobicContact CZ3-CE1 3.01Å; W149-F172 AromaticContact CZ3-CG 3.83Å; W149-F172 HydrophobicContact CZ3-CG 3.83Å; W149-F172 AromaticContact CZ3-CZ 3.94Å; W149-F172 HydrophobicContact CZ3-CZ 3.94Å; H169-F172 PolarHBondContact O-N 2.77Å; H169-F172 VanDerWaalsContact O-N 3.1Å; F170-F172 VanDerWaalsContact C-N 3.29Å; F170-F172 PolarHBondContact O-N 3.4Å; F172-Y174 VanDerWaalsContact C-N 3.28Å; F172-Y174 PolarHBondContact O-N 3.07Å; F172-S175 WeakPolarHBondContact O-CB 3.47Å; F172-S175 PolarHBondContact O-N 3.09Å; F172-S175 PolarHBondContact O-OG 3.36Å; F172-I176 HydrophobicContact CD1-CD1 4.37Å; F172-I176 HydrophobicContact CD1-CG1 4.34Å; F172-I176 HydrophobicContact CE1-CD1 3.58Å; F172-I176 HydrophobicContact CE1-CG1 3.95Å; F172-I176 HydrophobicContact CE1-CG2 4.16Å; F172-I176 HydrophobicContact CZ-CD1 4.29Å; F172-I176 HydrophobicContact CZ-CG2 4.2Å; F172-I176 PolarHBondContact O-N 3.48Å; F172-I176 VanDerWaalsContact O-N 3.16Å
173W79.4Confident82Confident0 Ų043 Ų430%025%0.248CC..Hα-helixtrans-61.4-41.8-174.3-76122.2000111.9V103 V106 R107 L113 W149 H169 F170 I176 A177 H178V103-W173 HydrophobicContact CG1-CH2 3.91Å; V103-W173 HydrophobicContact CG1-CZ3 4.47Å; V106-W173 HydrophobicContact CG1-CH2 4.27Å; R107-W173 HydrophobicContact CG-CH2 4.23Å; R107-W173 HydrophobicContact CG-CZ3 3.65Å; L113-W173 HydrophobicContact CD1-CD2 3.6Å; L113-W173 HydrophobicContact CD1-CE3 4.39Å; L113-W173 HydrophobicContact CD1-CG 3.87Å; L113-W173 HydrophobicContact CD1-CH2 4.29Å; L113-W173 HydrophobicContact CD1-CZ2 3.46Å; L113-W173 VanDerWaalsContact CD1-CZ2 3.46Å; W149-W173 HydrophobicContact CB-CZ2 4.02Å; W149-W173 AromaticContact CD2-CE2 3.52Å; W149-W173 HydrophobicContact CD2-CH2 4.28Å; W149-W173 AromaticContact CD2-CZ2 3.34Å; W149-W173 HydrophobicContact CD2-CZ2 3.34Å; W149-W173 AromaticContact CD2-NE1 3.57Å; W149-W173 AromaticContact CE3-CD1 3.6Å; W149-W173 AromaticContact CE3-CD2 3.54Å; W149-W173 HydrophobicContact CE3-CD2 3.54Å; W149-W173 AromaticContact CE3-CE2 2.85Å; W149-W173 HydrophobicContact CE3-CE3 4.27Å; W149-W173 AromaticContact CE3-CG 3.97Å; W149-W173 HydrophobicContact CE3-CG 3.97Å; W149-W173 AromaticContact CE3-CH2 3.94Å; W149-W173 HydrophobicContact CE3-CH2 3.94Å; W149-W173 AromaticContact CE3-CZ2 3.1Å; W149-W173 HydrophobicContact CE3-CZ2 3.1Å; W149-W173 HydrophobicContact CE3-CZ3 4.45Å; W149-W173 AromaticContact CE3-NE1 2.95Å; W149-W173 AromaticContact CG-CZ2 3.84Å; W149-W173 HydrophobicContact CG-CZ2 3.84Å; W149-W173 AromaticContact CG-NE1 3.79Å; W149-W173 AromaticContact CH2-CH2 3.89Å; W149-W173 HydrophobicContact CH2-CH2 3.89Å; W149-W173 AromaticContact CH2-CZ2 3.87Å; W149-W173 HydrophobicContact CH2-CZ2 3.87Å; W149-W173 HydrophobicContact CH2-CZ3 4.24Å; W149-W173 HydrophobicContact CZ2-CZ2 4.31Å; W149-W173 AromaticContact CZ3-CD2 3.4Å; W149-W173 HydrophobicContact CZ3-CD2 3.4Å; W149-W173 AromaticContact CZ3-CE2 3.1Å; W149-W173 AromaticContact CZ3-CE3 3.68Å; W149-W173 HydrophobicContact CZ3-CE3 3.68Å; W149-W173 HydrophobicContact CZ3-CG 4.1Å; W149-W173 AromaticContact CZ3-CH2 3.5Å; W149-W173 HydrophobicContact CZ3-CH2 3.5Å; W149-W173 VanDerWaalsContact CZ3-CH2 3.5Å; W149-W173 AromaticContact CZ3-CZ2 3.16Å; W149-W173 HydrophobicContact CZ3-CZ2 3.16Å; W149-W173 AromaticContact CZ3-CZ3 3.74Å; W149-W173 HydrophobicContact CZ3-CZ3 3.74Å; W149-W173 AromaticContact CZ3-NE1 3.68Å; H169-W173 PolarHBondContact O-N 3.5Å; H169-W173 VanDerWaalsContact O-N 3.08Å; F170-W173 PolarHBondContact O-N 3.36Å; W173-I176 HydrophobicContact CE3-CD1 3.83Å; W173-I176 HydrophobicContact CE3-CG1 4.3Å; W173-I176 HydrophobicContact CZ3-CD1 4.02Å; W173-I176 WeakPolarHBondContact O-CG1 3.17Å; W173-I176 PolarHBondContact O-N 3.41Å; W173-A177 PolarHBondContact O-N 2.87Å; W173-H178 HydrophobicContact CB-CB 4.28Å; W173-H178 HydrophobicContact CD2-CB 4.26Å; W173-H178 HydrophobicContact CE3-CB 3.42Å; W173-H178 VanDerWaalsContact CE3-CB 3.42Å; W173-H178 AromaticContact CE3-CD2 3.54Å; W173-H178 AromaticContact CE3-CG 3.37Å; W173-H178 HydrophobicContact CZ3-CB 4.12Å; W173-H178 AromaticContact CZ3-CD2 3.86Å; W173-H178 AromaticContact CZ3-CG 3.68Å; W173-H178 AromaticContact CZ3-ND1 3.93Å; W173-H178 WeakPolarHBondContact O-CB 3.28Å; W173-H178 PolarHBondContact O-N 3.14Å
174Y83.4Confident82.1Confident65 Ų6538.8 Ų38.826%0.25522%0.22SC..Hα-helixtrans-61.9-43.1175-173-104.7000111.5F170 F172 I176 A177 L207 Q211 L215F170-Y174 HydrophobicContact CE1-CD1 4.35Å; F170-Y174 HydrophobicContact CE1-CD2 4.38Å; F170-Y174 AromaticContact CE1-CG 3.93Å; F170-Y174 HydrophobicContact CE1-CG 3.93Å; F170-Y174 HydrophobicContact CE2-CD2 4.48Å; F170-Y174 AromaticContact CZ-CD2 3.84Å; F170-Y174 HydrophobicContact CZ-CD2 3.84Å; F170-Y174 AromaticContact CZ-CG 3.86Å; F170-Y174 HydrophobicContact CZ-CG 3.86Å; F170-Y174 WeakPolarHBondContact O-CB 3.29Å; F170-Y174 PolarHBondContact O-N 3.37Å; F172-Y174 VanDerWaalsContact C-N 3.28Å; F172-Y174 PolarHBondContact O-N 3.07Å; Y174-I176 PolarHBondContact O-N 3.24Å; Y174-A177 PolarHBondContact O-N 2.81Å; Y174-L207 HydrophobicContact CD1-CD2 3.93Å; Y174-L207 HydrophobicContact CE1-CD2 3.44Å; Y174-L207 VanDerWaalsContact CE1-CD2 3.44Å; Y174-Q211 VanDerWaalsContact OH-CB 3.28Å; Y174-Q211 WeakPolarHBondContact OH-CB 3.14Å; Y174-Q211 WeakPolarHBondContact OH-CG 3.17Å; Y174-Q211 PolarHBondContact OH-NE2 2.8Å; Y174-L215 HydrophobicContact CD2-CD1 4.49Å; Y174-L215 HydrophobicContact CD2-CD2 3.81Å; Y174-L215 HydrophobicContact CD2-CG 4.45Å; Y174-L215 HydrophobicContact CE2-CD1 4.09Å; Y174-L215 HydrophobicContact CE2-CD2 3.72Å; Y174-L215 HydrophobicContact CE2-CG 3.94Å
175S82.7Confident81.9Confident88 Ų8838 Ų3862%0.61521%0.213SC*.Hα-helixtrans-63.1-28179.376.90000114.1G171 F172G171-S175 WeakPolarHBondContact O-CB 2.93Å; G171-S175 PolarHBondContact O-N 3.03Å; G171-S175 PolarHBondContact O-OG 3.12Å; F172-S175 WeakPolarHBondContact O-CB 3.47Å; F172-S175 PolarHBondContact O-N 3.09Å; F172-S175 PolarHBondContact O-OG 3.36Å
176I81.1Confident81.7Confident61 Ų6138.4 Ų38.431%0.31322%0.22SC..THydrogen-bonded Turntrans-96.512.1175.967.6156.3000113R107 F172 W173 Y174 H178R107-I176 HydrophobicContact CG-CD1 4.34Å; F172-I176 HydrophobicContact CD1-CD1 4.37Å; F172-I176 HydrophobicContact CD1-CG1 4.34Å; F172-I176 HydrophobicContact CE1-CD1 3.58Å; F172-I176 HydrophobicContact CE1-CG1 3.95Å; F172-I176 HydrophobicContact CE1-CG2 4.16Å; F172-I176 HydrophobicContact CZ-CD1 4.29Å; F172-I176 HydrophobicContact CZ-CG2 4.2Å; F172-I176 PolarHBondContact O-N 3.48Å; F172-I176 VanDerWaalsContact O-N 3.16Å; W173-I176 HydrophobicContact CE3-CD1 3.83Å; W173-I176 HydrophobicContact CE3-CG1 4.3Å; W173-I176 HydrophobicContact CZ3-CD1 4.02Å; W173-I176 WeakPolarHBondContact O-CG1 3.17Å; W173-I176 PolarHBondContact O-N 3.41Å; Y174-I176 PolarHBondContact O-N 3.24Å; I176-H178 HydrophobicContact CD1-CB 4.21Å; I176-H178 HydrophobicContact CG1-CB 4.07Å; I176-H178 PolarHBondContact O-N 3.49Å
177A82.1Confident81.5Confident86 Ų8637.9 Ų37.971%0.71121%0.213SC*.THydrogen-bonded Turntrans55.134.1-178.500000114W173 Y174W173-A177 PolarHBondContact O-N 2.87Å; Y174-A177 PolarHBondContact O-N 2.81Å
178H81.3Confident81.4Confident9 Ų935.1 Ų35.14%0.04222%0.218CC..  trans-78.8139.1175.6-170.878000111.1I111 W173 I176 S180I111-H178 PolarHBondContact O-NE2 3.26Å; W173-H178 HydrophobicContact CB-CB 4.28Å; W173-H178 HydrophobicContact CD2-CB 4.26Å; W173-H178 HydrophobicContact CE3-CB 3.42Å; W173-H178 VanDerWaalsContact CE3-CB 3.42Å; W173-H178 AromaticContact CE3-CD2 3.54Å; W173-H178 AromaticContact CE3-CG 3.37Å; W173-H178 HydrophobicContact CZ3-CB 4.12Å; W173-H178 AromaticContact CZ3-CD2 3.86Å; W173-H178 AromaticContact CZ3-CG 3.68Å; W173-H178 AromaticContact CZ3-ND1 3.93Å; W173-H178 WeakPolarHBondContact O-CB 3.28Å; W173-H178 PolarHBondContact O-N 3.14Å; I176-H178 HydrophobicContact CD1-CB 4.21Å; I176-H178 HydrophobicContact CG1-CB 4.07Å; I176-H178 PolarHBondContact O-N 3.49Å; H178-S180 PolarHBondContact O-N 2.93Å; H178-S180 VanDerWaalsContact O-N 3.1Å; H178-S180 PolarHBondContact O-OG 3.09Å
179P79Confident81.5Confident10 Ų1040.2 Ų40.27%0.06525%0.249CC..  trans-46.4113.5173.3-35.740.8000114.5P112 L113 Y222P112-P179 HydrophobicContact CB-CB 4.1Å; P112-P179 HydrophobicContact CG-CB 4.29Å; L113-P179 PolarHBondContact N-O 3.1Å; P179-Y222 HydrophobicContact CB-CE1 3.81Å; P179-Y222 HydrophobicContact CB-CE2 4.19Å; P179-Y222 WeakPolarHBondContact CB-OH 3.35Å; P179-Y222 HydrophobicContact CG-CE1 4.21Å; P179-Y222 WeakPolarHBondContact CG-OH 3.2Å
180S79Confident81.7Confident9 Ų940.8 Ų40.86%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-136.9129.2-171.9-65.50000110.4L151 H178L151-S180 VanDerWaalsContact CD1-CA 3.41Å; H178-S180 PolarHBondContact O-N 2.93Å; H178-S180 VanDerWaalsContact O-N 3.1Å; H178-S180 PolarHBondContact O-OG 3.09Å
181V84.8Confident81.9Confident15 Ų1544.4 Ų44.49%0.09128%0.281CS..EExtended strand (participates in β ladder)trans-124.8127.7176.7-175.90000110.5L113 V114 Y222L113-V181 PolarHBondContact O-N 3.27Å; L113-V181 VanDerWaalsContact O-N 3.13Å; V114-V181 HydrophobicContact CB-CB 4.24Å; V114-V181 HydrophobicContact CG1-CB 3.96Å; V114-V181 HydrophobicContact CG1-CG1 4.15Å; V114-V181 HydrophobicContact CG2-CB 3.7Å; V114-V181 HydrophobicContact CG2-CG2 3.59Å; V181-Y222 HydrophobicContact CG2-CD2 3.51Å; V181-Y222 HydrophobicContact CG2-CE2 4.28Å; V181-Y222 HydrophobicContact CG2-CG 4.3Å
182I84.9Confident82Confident4 Ų443.5 Ų43.52%0.02127%0.271CS..  trans-82.5129.8176.4-61.8171.8000109.5F170 L194 E197 Y198 A201 L215F170-I182 HydrophobicContact CE2-CD1 4.22Å; F170-I182 HydrophobicContact CE2-CG1 4.15Å; I182-L194 WeakPolarHBondContact O-CD1 3.01Å; I182-E197 HydrophobicContact CG2-CB 3.57Å; I182-Y198 HydrophobicContact CB-CD2 4.46Å; I182-Y198 HydrophobicContact CB-CE1 4.46Å; I182-Y198 HydrophobicContact CB-CE2 4.11Å; I182-Y198 HydrophobicContact CD1-CD1 3.88Å; I182-Y198 HydrophobicContact CD1-CE1 4.02Å; I182-Y198 HydrophobicContact CD1-CG 4.32Å; I182-Y198 HydrophobicContact CG2-CD2 4.16Å; I182-Y198 HydrophobicContact CG2-CE2 4.23Å; I182-A201 HydrophobicContact CD1-CB 3.6Å; I182-L215 HydrophobicContact CD1-CD1 4.23Å
183C84.4Confident82.2Confident21 Ų2148.2 Ų48.214%0.14229%0.288CS..  trans-141171.2-179.6-66.30000111.8L115 C152L115-C183 HydrophobicContact CB-CB 4.4Å; L115-C183 WeakPolarHBondContact O-CB 3.23Å; L115-C183 PolarHBondContact O-SG 3.27Å; C152-C183 VanDerWaalsContact SG-C 3.58Å; C152-C183 PolarHBondContact SG-O 2.87Å
184T80.1Confident82.6Confident10 Ų1052.2 Ų52.26%0.06131%0.309CS..  trans-97.6-8-177.2590000115.5A117 D186 T192 Y193 L194 E197A117-T184 WeakPolarHBondContact CB-OG1 3.44Å; T184-D186 PolarHBondContact O-N 3.08Å; T184-T192 HydrophobicContact CG2-CG2 4.19Å; T184-Y193 VanDerWaalsContact CG2-C 3.49Å; T184-L194 VanDerWaalsContact CG2-CA 3.47Å; T184-L194 HydrophobicContact CG2-CB 3.97Å; T184-L194 HydrophobicContact CG2-CD1 4.24Å; T184-L194 VanDerWaalsContact CG2-N 3.25Å; T184-E197 HydrophobicContact CG2-CG 3.93Å
185D81.7Confident82.9Confident16 Ų1653.4 Ų53.49%0.08633%0.327CS..SBendtrans55.4-86.1-166.8-162.816.2000114H88 E116 A117 C152 S155 F190H88-D185 IonicContact CE1-OD2 3.24Å; E116-D185 WeakPolarHBondContact O-CA 3.41Å; A117-D185 WeakPolarHBondContact CA-O 3.37Å; A117-D185 VanDerWaalsContact CB-C 3.43Å; A117-D185 WeakPolarHBondContact CB-O 2.79Å; C152-D185 HydrophobicContact CB-CB 4.17Å; S155-D185 VanDerWaalsContact CB-OD2 3.3Å; S155-D185 WeakPolarHBondContact CB-OD2 3.24Å; S155-D185 PolarHBondContact OG-OD2 3.32Å; D185-F190 HydrophobicContact CB-CD2 4.32Å; D185-F190 HydrophobicContact CB-CE2 4.03Å; D185-F190 WeakPolarHBondContact OD2-CE2 3.3Å
186D80.6Confident83.2Confident80 Ų8052.8 Ų52.843%0.42831%0.314SS..  trans-122.490.8172.8-77.4-65.1000111T184 G188 V189 F190T184-D186 PolarHBondContact O-N 3.08Å; D186-G188 PolarHBondContact O-N 3.1Å; D186-V189 HydrophobicContact CB-CB 3.65Å; D186-V189 HydrophobicContact CB-CG2 3.75Å; D186-V189 PolarHBondContact O-N 2.96Å; D186-V189 VanDerWaalsContact O-N 3.14Å; D186-F190 HydrophobicContact CB-CD2 3.8Å; D186-F190 HydrophobicContact CB-CE2 3.82Å; D186-F190 WeakPolarHBondContact O-CB 3.42Å; D186-F190 WeakPolarHBondContact O-CD2 3.44Å; D186-F190 PolarHBondContact O-N 3.19Å
187K80.8Confident83.7Confident105 Ų10549.9 Ų49.946%0.45730%0.3SS..THydrogen-bonded Turntrans-53.9-34.9-177.772.6178.1-178.8-173.90113.3A191 T192K187-A191 VanDerWaalsContact O-CA 3.29Å; K187-A191 WeakPolarHBondContact O-CA 3.43Å; K187-A191 PolarHBondContact O-N 2.91Å; K187-A191 VanDerWaalsContact O-N 3.08Å; K187-T192 WeakPolarHBondContact CB-O 3.12Å; K187-T192 PolarHBondContact O-N 3.42Å; K187-T192 VanDerWaalsContact O-N 3.16Å
188G78.2Confident84Confident68 Ų6847.4 Ų47.470%0.70127%0.272SS*.THydrogen-bonded Turntrans-75.7-46.9179.300000112.8D186D186-G188 PolarHBondContact O-N 3.1Å
189V82.4Confident84.5Confident109 Ų10952.3 Ų52.366%0.66130%0.295SS*.THydrogen-bonded Turntrans-67.3-44.6-179.4178.60000110.6D186 A191D186-V189 HydrophobicContact CB-CB 3.65Å; D186-V189 HydrophobicContact CB-CG2 3.75Å; D186-V189 PolarHBondContact O-N 2.96Å; D186-V189 VanDerWaalsContact O-N 3.14Å; V189-A191 VanDerWaalsContact C-N 3.35Å
190F82Confident85.1Confident23 Ų2353.1 Ų53.110%0.10130%0.299CS..THydrogen-bonded Turntrans-89.30.1-177.7-59.4-58.9000113.8T154 S155 K158 D185 D186 T192T154-F190 HydrophobicContact CG2-CB 4.13Å; S155-F190 WeakPolarHBondContact OG-CE2 3.42Å; S155-F190 WeakPolarHBondContact OG-CZ 3.43Å; K158-F190 HydrophobicContact CB-CD1 4Å; K158-F190 HydrophobicContact CB-CE1 4.14Å; K158-F190 HydrophobicContact CD-CB 4.33Å; K158-F190 HydrophobicContact CD-CD1 3.78Å; K158-F190 HydrophobicContact CG-CD1 4.49Å; K158-F190 PolarHBondContact NZ-O 2.93Å; D185-F190 HydrophobicContact CB-CD2 4.32Å; D185-F190 HydrophobicContact CB-CE2 4.03Å; D185-F190 WeakPolarHBondContact OD2-CE2 3.3Å; D186-F190 HydrophobicContact CB-CD2 3.8Å; D186-F190 HydrophobicContact CB-CE2 3.82Å; D186-F190 WeakPolarHBondContact O-CB 3.42Å; D186-F190 WeakPolarHBondContact O-CD2 3.44Å; D186-F190 PolarHBondContact O-N 3.19Å; F190-T192 VanDerWaalsContact C-N 3.25Å; F190-T192 HydrophobicContact CB-CG2 4.19Å; F190-T192 PolarHBondContact O-N 3Å
191A87.4Confident85.6Confident75 Ų7552.7 Ų52.762%0.6230%0.296SS*.THydrogen-bonded Turntrans4650.5-179.300000112.1K187 V189K187-A191 VanDerWaalsContact O-CA 3.29Å; K187-A191 WeakPolarHBondContact O-CA 3.43Å; K187-A191 PolarHBondContact O-N 2.91Å; K187-A191 VanDerWaalsContact O-N 3.08Å; V189-A191 VanDerWaalsContact C-N 3.35Å
192T84.3Confident85.9Confident2 Ų253 Ų531%0.01230%0.3CS..  trans-127.5169.2-179.3-168.10000111T184 K187 F190 E197T184-T192 HydrophobicContact CG2-CG2 4.19Å; K187-T192 WeakPolarHBondContact CB-O 3.12Å; K187-T192 PolarHBondContact O-N 3.42Å; K187-T192 VanDerWaalsContact O-N 3.16Å; F190-T192 VanDerWaalsContact C-N 3.25Å; F190-T192 HydrophobicContact CB-CG2 4.19Å; F190-T192 PolarHBondContact O-N 3Å; T192-E197 WeakPolarHBondContact CB-OE1 3.3Å; T192-E197 HydrophobicContact CG2-CG 4.46Å; T192-E197 PolarHBondContact OG1-OE1 3.45Å
193Y87.3Confident86.3Confident157 Ų15758.4 Ų58.462%0.61633%0.325SS*.  trans-131.1154176.1-56.5-82.3000110.1T184 S195 Q196 E197T184-Y193 VanDerWaalsContact CG2-C 3.49Å; Y193-S195 PolarHBondContact O-N 3.49Å; Y193-Q196 WeakPolarHBondContact O-CA 3.43Å; Y193-Q196 WeakPolarHBondContact O-CB 3.48Å; Y193-Q196 PolarHBondContact O-N 3.44Å; Y193-E197 PolarHBondContact O-N 2.88Å
194L87.9Confident86.6Confident84 Ų8459 Ų5944%0.4433%0.328SS..Hα-helixtrans-58.2-40.5-179.8-173.261.3000111.5I182 T184 Q196 E197 Y198I182-L194 WeakPolarHBondContact O-CD1 3.01Å; T184-L194 VanDerWaalsContact CG2-CA 3.47Å; T184-L194 HydrophobicContact CG2-CB 3.97Å; T184-L194 HydrophobicContact CG2-CD1 4.24Å; T184-L194 VanDerWaalsContact CG2-N 3.25Å; L194-Q196 PolarHBondContact O-N 3.39Å; L194-E197 PolarHBondContact O-N 2.9Å; L194-E197 VanDerWaalsContact O-N 3.16Å; L194-Y198 HydrophobicContact CD1-CD2 4.04Å; L194-Y198 HydrophobicContact CD1-CE2 3.74Å; L194-Y198 HydrophobicContact CD2-CE2 4.21Å; L194-Y198 HydrophobicContact CG-CD2 3.92Å; L194-Y198 HydrophobicContact CG-CE2 3.75Å; L194-Y198 VanDerWaalsContact O-CD2 3.31Å; L194-Y198 WeakPolarHBondContact O-CD2 3.26Å; L194-Y198 PolarHBondContact O-N 3.03Å
195S88.9Confident87.1Confident89 Ų8960.5 Ų60.562%0.62233%0.334SS*.Hα-helixtrans-57.6-37174.4520000113.2Y193 Q199Y193-S195 PolarHBondContact O-N 3.49Å; S195-Q199 WeakPolarHBondContact O-CB 3.45Å; S195-Q199 PolarHBondContact O-N 2.7Å
196Q90Very high87.6Confident75 Ų7566.4 Ų66.435%0.3537%0.366SS..Hα-helixtrans-70.4-40177.4-177.2174.8-8.500111.3Y193 L194 Y198 Q199 L200Y193-Q196 WeakPolarHBondContact O-CA 3.43Å; Y193-Q196 WeakPolarHBondContact O-CB 3.48Å; Y193-Q196 PolarHBondContact O-N 3.44Å; L194-Q196 PolarHBondContact O-N 3.39Å; Q196-Y198 PolarHBondContact O-N 2.91Å; Q196-Q199 PolarHBondContact O-N 2.79Å; Q196-L200 HydrophobicContact CG-CD1 4.22Å; Q196-L200 HydrophobicContact CG-CG 4.47Å; Q196-L200 WeakPolarHBondContact O-CB 3.26Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.46Å; Q196-L200 PolarHBondContact O-N 2.87Å
197E89.9Confident88.1Confident1 Ų163.4 Ų63.41%0.00535%0.349CS..Hα-helixtrans-63.3-40.6175.1-58.5-58.5114.200111.9L153 T154 I182 T184 T192 Y193 L194 L200 A201L153-E197 PolarHBondContact N-OE2 3.48Å; T154-E197 WeakPolarHBondContact CB-OE1 3.45Å; T154-E197 PolarHBondContact N-OE2 3.49Å; T154-E197 PolarHBondContact OG1-OE1 3.09Å; T154-E197 PolarHBondContact OG1-OE2 2.99Å; I182-E197 HydrophobicContact CG2-CB 3.57Å; T184-E197 HydrophobicContact CG2-CG 3.93Å; T192-E197 WeakPolarHBondContact CB-OE1 3.3Å; T192-E197 HydrophobicContact CG2-CG 4.46Å; T192-E197 PolarHBondContact OG1-OE1 3.45Å; Y193-E197 PolarHBondContact O-N 2.88Å; L194-E197 PolarHBondContact O-N 2.9Å; L194-E197 VanDerWaalsContact O-N 3.16Å; E197-L200 PolarHBondContact O-N 2.99Å; E197-A201 WeakPolarHBondContact O-CB 3.28Å; E197-A201 PolarHBondContact O-N 3.3Å
198Y89.7Confident88.7Confident34 Ų3461.5 Ų61.513%0.13335%0.346CS..Hα-helixtrans-64.1-41.1173.4-86-89.1000112.2I182 L194 Q196 A201 A202 V212 L215 S216I182-Y198 HydrophobicContact CB-CD2 4.46Å; I182-Y198 HydrophobicContact CB-CE1 4.46Å; I182-Y198 HydrophobicContact CB-CE2 4.11Å; I182-Y198 HydrophobicContact CD1-CD1 3.88Å; I182-Y198 HydrophobicContact CD1-CE1 4.02Å; I182-Y198 HydrophobicContact CD1-CG 4.32Å; I182-Y198 HydrophobicContact CG2-CD2 4.16Å; I182-Y198 HydrophobicContact CG2-CE2 4.23Å; L194-Y198 HydrophobicContact CD1-CD2 4.04Å; L194-Y198 HydrophobicContact CD1-CE2 3.74Å; L194-Y198 HydrophobicContact CD2-CE2 4.21Å; L194-Y198 HydrophobicContact CG-CD2 3.92Å; L194-Y198 HydrophobicContact CG-CE2 3.75Å; L194-Y198 VanDerWaalsContact O-CD2 3.31Å; L194-Y198 WeakPolarHBondContact O-CD2 3.26Å; L194-Y198 PolarHBondContact O-N 3.03Å; Q196-Y198 PolarHBondContact O-N 2.91Å; Y198-A201 PolarHBondContact O-N 2.99Å; Y198-A202 WeakPolarHBondContact O-CB 3.45Å; Y198-A202 PolarHBondContact O-N 3.21Å; Y198-V212 HydrophobicContact CD1-CG1 3.82Å; Y198-L215 HydrophobicContact CE1-CB 4.29Å; Y198-S216 WeakPolarHBondContact OH-CA 3.18Å
199Q90.3Very high89.4Confident111 Ų11162.5 Ų62.552%0.51934%0.341SS..Hα-helixtrans-62.8-48.1175.6-179.8178.9-600111.2S195 Q196 A201 A202 E203S195-Q199 WeakPolarHBondContact O-CB 3.45Å; S195-Q199 PolarHBondContact O-N 2.7Å; Q196-Q199 PolarHBondContact O-N 2.79Å; Q199-A201 VanDerWaalsContact C-N 3.32Å; Q199-A201 PolarHBondContact O-N 2.63Å; Q199-A202 PolarHBondContact O-N 3.07Å; Q199-A202 VanDerWaalsContact O-N 3.13Å; Q199-E203 HydrophobicContact CG-CG 4.36Å; Q199-E203 VanDerWaalsContact CG-OE1 3.3Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.47Å; Q199-E203 PolarHBondContact NE2-OE1 2.97Å; Q199-E203 WeakPolarHBondContact O-CG 3.19Å; Q199-E203 PolarHBondContact O-N 3.04Å
200L91.7Very high89.9Confident27 Ų2762.8 Ų62.814%0.14133%0.333CS..Hα-helixtrans-58.1-45177.3-74.9169.9000111.3L153 T154 Y165 Q196 E197 A202 T204L153-L200 HydrophobicContact CD2-CB 3.92Å; T154-L200 WeakPolarHBondContact OG1-CD1 3.29Å; Y165-L200 HydrophobicContact CE1-CD1 4.36Å; Y165-L200 HydrophobicContact CE2-CD2 4.4Å; Q196-L200 HydrophobicContact CG-CD1 4.22Å; Q196-L200 HydrophobicContact CG-CG 4.47Å; Q196-L200 WeakPolarHBondContact O-CB 3.26Å; Q196-L200 VanDerWaalsContact O-CG 3.32Å; Q196-L200 WeakPolarHBondContact O-CG 3.46Å; Q196-L200 PolarHBondContact O-N 2.87Å; E197-L200 PolarHBondContact O-N 2.99Å; L200-A202 VanDerWaalsContact C-N 3.34Å; L200-A202 PolarHBondContact O-N 3.47Å; L200-T204 WeakPolarHBondContact O-CB 3.47Å; L200-T204 PolarHBondContact O-N 2.86Å; L200-T204 PolarHBondContact O-OG1 3.07Å
201A89.5Confident90.3Very high0 Ų064.5 Ų64.50%034%0.342CS..Hα-helixtrans-63.3-41.3176.500000111.8L153 I182 E197 Y198 Q199 F205 L207L153-A201 HydrophobicContact CD1-CB 4.2Å; L153-A201 HydrophobicContact CD2-CB 4.15Å; I182-A201 HydrophobicContact CD1-CB 3.6Å; E197-A201 WeakPolarHBondContact O-CB 3.28Å; E197-A201 PolarHBondContact O-N 3.3Å; Y198-A201 PolarHBondContact O-N 2.99Å; Q199-A201 VanDerWaalsContact C-N 3.32Å; Q199-A201 PolarHBondContact O-N 2.63Å; A201-F205 WeakPolarHBondContact O-CB 3.36Å; A201-F205 WeakPolarHBondContact O-CD2 3.33Å; A201-F205 PolarHBondContact O-N 3.15Å; A201-L207 HydrophobicContact CB-CD1 4.48Å
202A92Very high90.4Very high22 Ų2262.5 Ų62.518%0.18232%0.321CS..Hα-helixtrans-64-47.3178.900000112.6Y198 Q199 L200 N206 L207 V212Y198-A202 WeakPolarHBondContact O-CB 3.45Å; Y198-A202 PolarHBondContact O-N 3.21Å; Q199-A202 PolarHBondContact O-N 3.07Å; Q199-A202 VanDerWaalsContact O-N 3.13Å; L200-A202 VanDerWaalsContact C-N 3.34Å; L200-A202 PolarHBondContact O-N 3.47Å; A202-N206 CarbonylContact O-C 3.27Å; A202-N206 VanDerWaalsContact O-CA 3.25Å; A202-N206 WeakPolarHBondContact O-CA 3.29Å; A202-N206 PolarHBondContact O-N 2.69Å; A202-L207 HydrophobicContact CB-CB 4.36Å; A202-L207 PolarHBondContact O-N 3.03Å; A202-V212 HydrophobicContact CB-CG2 3.62Å
203E92.9Very high90.7Very high117 Ų11763.4 Ų63.455%0.54733%0.325SS..Hα-helixtrans-67.3-44.7179.5-70.1173.2-179.100111.5Q199Q199-E203 HydrophobicContact CG-CG 4.36Å; Q199-E203 VanDerWaalsContact CG-OE1 3.3Å; Q199-E203 WeakPolarHBondContact CG-OE1 3.47Å; Q199-E203 PolarHBondContact NE2-OE1 2.97Å; Q199-E203 WeakPolarHBondContact O-CG 3.19Å; Q199-E203 PolarHBondContact O-N 3.04Å
204T91.9Very high90.8Very high35 Ų3559.1 Ų59.122%0.21531%0.312CS..Hα-helixtrans-66.8-43.3-177-59.40000112.1Y165 L200Y165-T204 WeakPolarHBondContact O-CG2 3.3Å; L200-T204 WeakPolarHBondContact O-CB 3.47Å; L200-T204 PolarHBondContact O-N 2.86Å; L200-T204 PolarHBondContact O-OG1 3.07Å
205F90.6Very high90.7Very high40 Ų4055.8 Ų55.818%0.17530%0.295CS..THydrogen-bonded Turntrans-104.712.4-173.6-59.5-73.1000113.4L153 Y165 H168 F170 G171 A201 L207L153-F205 HydrophobicContact CD2-CE2 4.27Å; Y165-F205 WeakPolarHBondContact O-CZ 3.41Å; H168-F205 HydrophobicContact CB-CZ 4Å; H168-F205 WeakPolarHBondContact O-CE1 3.25Å; H168-F205 WeakPolarHBondContact O-CZ 2.89Å; F170-F205 HydrophobicContact CB-CE2 3.85Å; F170-F205 HydrophobicContact CB-CZ 4Å; F170-F205 HydrophobicContact CD1-CB 4.41Å; F170-F205 HydrophobicContact CD1-CD1 4.24Å; F170-F205 AromaticContact CD1-CD2 3.21Å; F170-F205 HydrophobicContact CD1-CD2 3.21Å; F170-F205 HydrophobicContact CD1-CE1 4.37Å; F170-F205 AromaticContact CD1-CE2 3.38Å; F170-F205 HydrophobicContact CD1-CE2 3.38Å; F170-F205 AromaticContact CD1-CG 3.68Å; F170-F205 HydrophobicContact CD1-CG 3.68Å; F170-F205 AromaticContact CD1-CZ 3.98Å; F170-F205 HydrophobicContact CD1-CZ 3.98Å; F170-F205 HydrophobicContact CE1-CB 4.22Å; F170-F205 AromaticContact CE1-CD2 3.68Å; F170-F205 HydrophobicContact CE1-CD2 3.68Å; F170-F205 HydrophobicContact CE1-CE2 4.28Å; F170-F205 AromaticContact CE1-CG 3.98Å; F170-F205 HydrophobicContact CE1-CG 3.98Å; F170-F205 HydrophobicContact CG-CD2 4.2Å; F170-F205 AromaticContact CG-CE2 3.96Å; F170-F205 HydrophobicContact CG-CE2 3.96Å; F170-F205 HydrophobicContact CG-CZ 4.48Å; G171-F205 VanDerWaalsContact CA-CE1 3.42Å; A201-F205 WeakPolarHBondContact O-CB 3.36Å; A201-F205 WeakPolarHBondContact O-CD2 3.33Å; A201-F205 PolarHBondContact O-N 3.15Å; F205-L207 HydrophobicContact CB-CD2 4.01Å; F205-L207 HydrophobicContact CB-CG 4.04Å; F205-L207 PolarHBondContact O-N 3.43Å
206N92.4Very high90.7Very high141 Ų14152.8 Ų52.875%0.75427%0.274SS*.THydrogen-bonded Turntrans50.542.7-179.3-61.2-69000112.9A202A202-N206 CarbonylContact O-C 3.27Å; A202-N206 VanDerWaalsContact O-CA 3.25Å; A202-N206 WeakPolarHBondContact O-CA 3.29Å; A202-N206 PolarHBondContact O-N 2.69Å
207L90.9Very high90.6Very high17 Ų1751.4 Ų51.49%0.08927%0.266CS..  trans-75.5133.5-179.1-51.9177.7000110.3F170 Y174 A201 A202 F205 Q211 V212 L215F170-L207 HydrophobicContact CE1-CD1 3.96Å; F170-L207 HydrophobicContact CE1-CD2 4.5Å; F170-L207 HydrophobicContact CZ-CD1 3.97Å; Y174-L207 HydrophobicContact CD1-CD2 3.93Å; Y174-L207 HydrophobicContact CE1-CD2 3.44Å; Y174-L207 VanDerWaalsContact CE1-CD2 3.44Å; A201-L207 HydrophobicContact CB-CD1 4.48Å; A202-L207 HydrophobicContact CB-CB 4.36Å; A202-L207 PolarHBondContact O-N 3.03Å; F205-L207 HydrophobicContact CB-CD2 4.01Å; F205-L207 HydrophobicContact CB-CG 4.04Å; F205-L207 PolarHBondContact O-N 3.43Å; L207-Q211 HydrophobicContact CB-CB 4.15Å; L207-V212 HydrophobicContact CB-CG2 3.8Å; L207-V212 HydrophobicContact CD1-CG2 4.35Å; L207-L215 HydrophobicContact CD1-CD1 3.57Å
208T93.3Very high90.4Very high64 Ų6455.1 Ų55.139%0.39328%0.283SS..  trans-68.4157.1171.163.40000111.1F210 Q211 V212T208-F210 PolarHBondContact O-N 2.84Å; T208-F210 VanDerWaalsContact O-N 3.09Å; T208-Q211 WeakPolarHBondContact O-CB 3.49Å; T208-Q211 PolarHBondContact O-N 2.78Å; T208-Q211 WeakPolarHBondContact OG1-CG 2.99Å; T208-Q211 PolarHBondContact OG1-N 3.49Å; T208-Q211 PolarHBondContact OG1-OE1 2.96Å; T208-V212 WeakPolarHBondContact O-CG2 3.32Å; T208-V212 PolarHBondContact O-N 2.9Å
209P91.8Very high90.2Very high89 Ų8954.3 Ų54.358%0.57828%0.283SS*.Hα-helixtrans-53.3-33173.9-28.636000113.8W213 L245P209-W213 WeakPolarHBondContact O-CB 3.35Å; P209-W213 PolarHBondContact O-N 3.13Å; P209-L245 HydrophobicContact CB-CD2 4Å
210F92.4Very high90Very high115 Ų11549.1 Ų49.150%0.50426%0.259SS..Hα-helixtrans-68.1-40.9174.8-70.8-86.5000112.4T208 W213 D214 L245T208-F210 PolarHBondContact O-N 2.84Å; T208-F210 VanDerWaalsContact O-N 3.09Å; F210-W213 WeakPolarHBondContact O-CB 3.41Å; F210-W213 PolarHBondContact O-N 3.46Å; F210-D214 VanDerWaalsContact O-CG 3.24Å; F210-D214 PolarHBondContact O-N 2.89Å; F210-L245 HydrophobicContact CD1-CD1 3.59Å; F210-L245 HydrophobicContact CE1-CB 4.33Å; F210-L245 HydrophobicContact CE1-CD1 3.58Å; F210-L245 HydrophobicContact CE1-CG 4.44Å; F210-L245 HydrophobicContact CG-CD1 4.4Å; F210-L245 HydrophobicContact CZ-CB 4.4Å; F210-L245 HydrophobicContact CZ-CD1 4.39Å
211Q90.8Very high89.5Confident60 Ų6050.8 Ų50.828%0.2827%0.268SS..Hα-helixtrans-67.3-40.4176.3-74.9170.4-62.800112.2Y174 L207 T208 W213 D214 L215Y174-Q211 VanDerWaalsContact OH-CB 3.28Å; Y174-Q211 WeakPolarHBondContact OH-CB 3.14Å; Y174-Q211 WeakPolarHBondContact OH-CG 3.17Å; Y174-Q211 PolarHBondContact OH-NE2 2.8Å; L207-Q211 HydrophobicContact CB-CB 4.15Å; T208-Q211 WeakPolarHBondContact O-CB 3.49Å; T208-Q211 PolarHBondContact O-N 2.78Å; T208-Q211 WeakPolarHBondContact OG1-CG 2.99Å; T208-Q211 PolarHBondContact OG1-N 3.49Å; T208-Q211 PolarHBondContact OG1-OE1 2.96Å; Q211-W213 VanDerWaalsContact C-N 3.31Å; Q211-D214 PolarHBondContact O-N 2.88Å; Q211-L215 WeakPolarHBondContact O-CG 3.28Å; Q211-L215 PolarHBondContact O-N 3.4Å
212V89.9Confident89.3Confident32 Ų3253.3 Ų53.319%0.19428%0.278CS..Hα-helixtrans-61.6-42.5173.1178.30000110.5Y198 A202 L207 T208 L215 S216Y198-V212 HydrophobicContact CD1-CG1 3.82Å; A202-V212 HydrophobicContact CB-CG2 3.62Å; L207-V212 HydrophobicContact CB-CG2 3.8Å; L207-V212 HydrophobicContact CD1-CG2 4.35Å; T208-V212 WeakPolarHBondContact O-CG2 3.32Å; T208-V212 PolarHBondContact O-N 2.9Å; V212-L215 PolarHBondContact O-N 3.45Å; V212-S216 PolarHBondContact O-N 3.36Å; V212-S216 VanDerWaalsContact O-N 3.15Å
213W91.4Very high88.9Confident21 Ų2152.7 Ų52.78%0.0827%0.271CS..Hα-helixtrans-59.9-48.3173.9176.6-80.2000112.1P209 F210 Q211 L215 S216 Y217 W237 L240 K241 V244 L245P209-W213 WeakPolarHBondContact O-CB 3.35Å; P209-W213 PolarHBondContact O-N 3.13Å; F210-W213 WeakPolarHBondContact O-CB 3.41Å; F210-W213 PolarHBondContact O-N 3.46Å; Q211-W213 VanDerWaalsContact C-N 3.31Å; W213-L215 VanDerWaalsContact C-N 3.35Å; W213-L215 PolarHBondContact O-N 3.49Å; W213-S216 WeakPolarHBondContact O-CB 2.76Å; W213-S216 PolarHBondContact O-N 3.2Å; W213-Y217 WeakPolarHBondContact O-CB 3.1Å; W213-Y217 PolarHBondContact O-N 3.13Å; W213-W237 HydrophobicContact CH2-CB 4.35Å; W213-W237 AromaticContact CH2-CD1 3.93Å; W213-W237 HydrophobicContact CH2-CG 4.32Å; W213-W237 WeakPolarHBondContact CH2-O 3.22Å; W213-W237 HydrophobicContact CZ2-CB 3.91Å; W213-W237 AromaticContact CZ2-CD1 3.65Å; W213-W237 HydrophobicContact CZ2-CG 4.1Å; W213-W237 WeakPolarHBondContact CZ2-O 3.32Å; W213-L240 HydrophobicContact CH2-CB 3.87Å; W213-L240 HydrophobicContact CZ3-CB 4.42Å; W213-K241 HydrophobicContact CD2-CB 4.45Å; W213-K241 HydrophobicContact CD2-CG 4.05Å; W213-K241 HydrophobicContact CH2-CB 3.8Å; W213-K241 HydrophobicContact CH2-CG 4.44Å; W213-K241 HydrophobicContact CZ2-CB 3.41Å; W213-K241 VanDerWaalsContact CZ2-CB 3.41Å; W213-K241 HydrophobicContact CZ2-CD 4.3Å; W213-K241 HydrophobicContact CZ2-CG 3.84Å; W213-K241 HydrophobicContact CZ3-CB 4.44Å; W213-V244 HydrophobicContact CE3-CB 4.06Å; W213-V244 HydrophobicContact CE3-CG1 3.99Å; W213-V244 HydrophobicContact CZ3-CB 3.74Å; W213-V244 HydrophobicContact CZ3-CG1 4.08Å; W213-V244 HydrophobicContact CZ3-CG2 3.87Å; W213-L245 HydrophobicContact CB-CD1 4.22Å; W213-L245 HydrophobicContact CB-CD2 4.18Å; W213-L245 HydrophobicContact CD2-CD1 4.19Å; W213-L245 HydrophobicContact CE3-CG 4.35Å; W213-L245 HydrophobicContact CG-CD1 4Å
214D89Confident88.7Confident67 Ų6748.1 Ų48.136%0.35825%0.249SC..Hα-helixtrans-64.9-39.2-177.8-69.3-17.8000111F210 Q211 S216 Y217 E218 K241F210-D214 VanDerWaalsContact O-CG 3.24Å; F210-D214 PolarHBondContact O-N 2.89Å; Q211-D214 PolarHBondContact O-N 2.88Å; D214-S216 VanDerWaalsContact C-N 3.33Å; D214-S216 PolarHBondContact O-N 3.15Å; D214-Y217 PolarHBondContact O-N 3.15Å; D214-E218 VanDerWaalsContact O-CB 3.31Å; D214-E218 WeakPolarHBondContact O-CB 3.11Å; D214-E218 VanDerWaalsContact O-CG 3.28Å; D214-E218 WeakPolarHBondContact O-CG 3.24Å; D214-E218 PolarHBondContact O-N 3.2Å; D214-K241 IonicContact OD1-NZ 3.26Å
215L85.1Confident88.4Confident15 Ų1546.5 Ų46.58%0.07924%0.24CC..Hα-helixtrans-55.7-47.1171-76.4164.6000112.2F170 Y174 I182 Y198 L207 Q211 V212 W213 S219F170-L215 HydrophobicContact CE2-CD1 4.23Å; F170-L215 HydrophobicContact CE2-CD2 4.1Å; F170-L215 HydrophobicContact CZ-CD1 3.68Å; F170-L215 HydrophobicContact CZ-CD2 4.14Å; Y174-L215 HydrophobicContact CD2-CD1 4.49Å; Y174-L215 HydrophobicContact CD2-CD2 3.81Å; Y174-L215 HydrophobicContact CD2-CG 4.45Å; Y174-L215 HydrophobicContact CE2-CD1 4.09Å; Y174-L215 HydrophobicContact CE2-CD2 3.72Å; Y174-L215 HydrophobicContact CE2-CG 3.94Å; I182-L215 HydrophobicContact CD1-CD1 4.23Å; Y198-L215 HydrophobicContact CE1-CB 4.29Å; L207-L215 HydrophobicContact CD1-CD1 3.57Å; Q211-L215 WeakPolarHBondContact O-CG 3.28Å; Q211-L215 PolarHBondContact O-N 3.4Å; V212-L215 PolarHBondContact O-N 3.45Å; W213-L215 VanDerWaalsContact C-N 3.35Å; W213-L215 PolarHBondContact O-N 3.49Å; L215-S219 PolarHBondContact O-N 2.99Å
216S88.9Confident88.1Confident26 Ų2646.8 Ų46.818%0.18225%0.246CC..Hα-helixtrans-64.5-44.3177.2-179.30000112Y198 V212 W213 D214 S219 W237Y198-S216 WeakPolarHBondContact OH-CA 3.18Å; V212-S216 PolarHBondContact O-N 3.36Å; V212-S216 VanDerWaalsContact O-N 3.15Å; W213-S216 WeakPolarHBondContact O-CB 2.76Å; W213-S216 PolarHBondContact O-N 3.2Å; D214-S216 VanDerWaalsContact C-N 3.33Å; D214-S216 PolarHBondContact O-N 3.15Å; S216-S219 WeakPolarHBondContact O-CB 3.02Å; S216-S219 PolarHBondContact O-OG 3.17Å; S216-W237 PolarHBondContact OG-NE1 3.1Å
217Y87.9Confident87.8Confident46 Ų4644.8 Ų44.818%0.1824%0.235CC..Hα-helixtrans-68.5-44-177.7-176.5-108000112.8W213 D214 S219 I220 R234 W237W213-Y217 WeakPolarHBondContact O-CB 3.1Å; W213-Y217 PolarHBondContact O-N 3.13Å; D214-Y217 PolarHBondContact O-N 3.15Å; Y217-S219 PolarHBondContact O-N 3.07Å; Y217-I220 HydrophobicContact CD2-CD1 4.08Å; Y217-I220 HydrophobicContact CE2-CD1 4.37Å; Y217-I220 WeakPolarHBondContact O-CB 3.31Å; Y217-I220 WeakPolarHBondContact O-CD1 3.36Å; Y217-I220 VanDerWaalsContact O-CG1 3.29Å; Y217-I220 WeakPolarHBondContact O-CG1 3.38Å; Y217-I220 PolarHBondContact O-N 2.76Å; Y217-R234 HydrophobicContact CE2-CB 4.17Å; Y217-R234 HydrophobicContact CE2-CG 3.98Å; Y217-R234 PolarHBondContact OH-NH1 2.97Å; Y217-R234 VanDerWaalsContact OH-NH1 3.1Å; Y217-W237 HydrophobicContact CD2-CB 3.49Å; Y217-W237 VanDerWaalsContact CD2-CB 3.49Å; Y217-W237 AromaticContact CD2-CD1 3.78Å; Y217-W237 AromaticContact CD2-CG 3.84Å; Y217-W237 HydrophobicContact CD2-CG 3.84Å; Y217-W237 HydrophobicContact CE2-CB 3.81Å
218E85.6Confident87.7Confident78 Ų7846.7 Ų46.736%0.36425%0.246SC..Hα-helixtrans-69.8-22.8-178.8-67.9-54.113400112.3D214 I220 N221 Y222D214-E218 VanDerWaalsContact O-CB 3.31Å; D214-E218 WeakPolarHBondContact O-CB 3.11Å; D214-E218 VanDerWaalsContact O-CG 3.28Å; D214-E218 WeakPolarHBondContact O-CG 3.24Å; D214-E218 PolarHBondContact O-N 3.2Å; E218-I220 PolarHBondContact O-N 3.19Å; E218-N221 WeakPolarHBondContact O-CB 3.27Å; E218-N221 PolarHBondContact O-N 2.93Å; E218-N221 PolarHBondContact O-ND2 3.48Å; E218-N221 VanDerWaalsContact O-ND2 3.12Å; E218-N221 PolarHBondContact OE2-ND2 2.58Å; E218-Y222 WeakPolarHBondContact O-CE2 3.44Å
219S85.7Confident87.4Confident17 Ų1743.9 Ų43.912%0.11923%0.229CC..G310 helixtrans-54.4-28173.577.80000113.4L215 S216 Y217 N221 Y222L215-S219 PolarHBondContact O-N 2.99Å; S216-S219 WeakPolarHBondContact O-CB 3.02Å; S216-S219 PolarHBondContact O-OG 3.17Å; Y217-S219 PolarHBondContact O-N 3.07Å; S219-N221 PolarHBondContact O-N 2.6Å; S219-N221 VanDerWaalsContact O-N 3.16Å; S219-Y222 PolarHBondContact O-N 2.62Å
220I85.6Confident87Confident3 Ų342.3 Ų42.32%0.01521%0.211CC..G310 helixtrans-59.5-27.5177.5-59.9168.7000111.5Y217 E218 Y222 I223 R230 L233 R234 W237Y217-I220 HydrophobicContact CD2-CD1 4.08Å; Y217-I220 HydrophobicContact CE2-CD1 4.37Å; Y217-I220 WeakPolarHBondContact O-CB 3.31Å; Y217-I220 WeakPolarHBondContact O-CD1 3.36Å; Y217-I220 VanDerWaalsContact O-CG1 3.29Å; Y217-I220 WeakPolarHBondContact O-CG1 3.38Å; Y217-I220 PolarHBondContact O-N 2.76Å; E218-I220 PolarHBondContact O-N 3.19Å; I220-Y222 PolarHBondContact O-N 2.89Å; I220-I223 HydrophobicContact CG2-CD1 4.45Å; I220-I223 WeakPolarHBondContact O-CG1 3.36Å; I220-R230 HydrophobicContact CG2-CB 3.8Å; I220-R230 HydrophobicContact CG2-CG 4.05Å; I220-R230 WeakPolarHBondContact O-CG 3.48Å; I220-L233 HydrophobicContact CD1-CB 3.88Å; I220-L233 HydrophobicContact CG1-CB 4.17Å; I220-L233 HydrophobicContact CG2-CB 4.05Å; I220-L233 HydrophobicContact CG2-CD1 4.32Å; I220-R234 HydrophobicContact CD1-CG 4.13Å; I220-R234 HydrophobicContact CG2-CG 4.17Å; I220-W237 HydrophobicContact CD1-CB 4.49Å; I220-W237 HydrophobicContact CD1-CD2 4.08Å; I220-W237 HydrophobicContact CD1-CE3 4.3Å; I220-W237 HydrophobicContact CD1-CG 4.18Å
221N82.9Confident87Confident62 Ų6239.5 Ų39.533%0.33221%0.206SC..G310 helixtrans-65.7-29176.1-70.6-55.4000113.2E218 S219 R234E218-N221 WeakPolarHBondContact O-CB 3.27Å; E218-N221 PolarHBondContact O-N 2.93Å; E218-N221 PolarHBondContact O-ND2 3.48Å; E218-N221 VanDerWaalsContact O-ND2 3.12Å; E218-N221 PolarHBondContact OE2-ND2 2.58Å; S219-N221 PolarHBondContact O-N 2.6Å; S219-N221 VanDerWaalsContact O-N 3.16Å; N221-R234 PolarHBondContact ND2-NH2 3.34Å; N221-R234 VanDerWaalsContact ND2-NH2 3.2Å; N221-R234 PolarHBondContact OD1-NH2 2.66Å
222Y83.6Confident87.1Confident53 Ų5339.8 Ų39.821%0.20821%0.207CC..G310 helixtrans-101.82.9-166.4-46.8-55.9000113R85 P112 P179 V181 E218 S219 I220R85-Y222 WeakPolarHBondContact CD-O 3.24Å; R85-Y222 PolarHBondContact NH1-O 2.93Å; R85-Y222 VanDerWaalsContact NH1-O 3.08Å; P112-Y222 HydrophobicContact CB-CD1 3.79Å; P112-Y222 HydrophobicContact CB-CD2 4.41Å; P112-Y222 HydrophobicContact CB-CE1 4.33Å; P112-Y222 HydrophobicContact CB-CG 3.82Å; P112-Y222 HydrophobicContact CG-CD1 3.18Å; P112-Y222 HydrophobicContact CG-CE1 3.75Å; P112-Y222 HydrophobicContact CG-CG 3.71Å; P179-Y222 HydrophobicContact CB-CE1 3.81Å; P179-Y222 HydrophobicContact CB-CE2 4.19Å; P179-Y222 WeakPolarHBondContact CB-OH 3.35Å; P179-Y222 HydrophobicContact CG-CE1 4.21Å; P179-Y222 WeakPolarHBondContact CG-OH 3.2Å; V181-Y222 HydrophobicContact CG2-CD2 3.51Å; V181-Y222 HydrophobicContact CG2-CE2 4.28Å; V181-Y222 HydrophobicContact CG2-CG 4.3Å; E218-Y222 WeakPolarHBondContact O-CE2 3.44Å; S219-Y222 PolarHBondContact O-N 2.62Å; I220-Y222 PolarHBondContact O-N 2.89Å
223I85.1Confident87.2Confident9 Ų939.6 Ų39.65%0.04621%0.205CC..  trans-73.3147.5174.178.2-178.2000109.6L121 I220 A225 T229 R230 L233L121-I223 HydrophobicContact CD1-CG2 4.01Å; L121-I223 HydrophobicContact CD2-CB 4.2Å; L121-I223 HydrophobicContact CD2-CD1 3.99Å; L121-I223 HydrophobicContact CD2-CG2 3.63Å; L121-I223 HydrophobicContact CG-CG2 4.29Å; I220-I223 HydrophobicContact CG2-CD1 4.45Å; I220-I223 WeakPolarHBondContact O-CG1 3.36Å; I223-A225 HydrophobicContact CD1-CB 3.75Å; I223-A225 HydrophobicContact CG1-CB 3.92Å; I223-A225 PolarHBondContact O-N 3.08Å; I223-T229 HydrophobicContact CD1-CG2 4.16Å; I223-R230 HydrophobicContact CD1-CG 3.76Å; I223-R230 HydrophobicContact CG1-CG 3.91Å; I223-R230 PolarHBondContact O-NH2 2.84Å; I223-L233 HydrophobicContact CD1-CD1 3.58Å
224F87.4Confident87.2Confident20 Ų2041.3 Ų41.39%0.08821%0.211CC..SBendtrans-78.1-6.7177.6-64.9-19.1000113.5L31 K60 A62 D84 R85 Y122L31-F224 HydrophobicContact CB-CB 3.93Å; L31-F224 HydrophobicContact CD1-CB 4.38Å; K60-F224 HydrophobicContact CB-CB 4.15Å; K60-F224 HydrophobicContact CB-CD1 3.61Å; K60-F224 HydrophobicContact CB-CD2 3.45Å; K60-F224 VanDerWaalsContact CB-CD2 3.45Å; K60-F224 HydrophobicContact CB-CE1 3.75Å; K60-F224 HydrophobicContact CB-CE2 3.59Å; K60-F224 HydrophobicContact CB-CG 3.47Å; K60-F224 VanDerWaalsContact CB-CG 3.47Å; K60-F224 HydrophobicContact CB-CZ 3.74Å; K60-F224 HydrophobicContact CD-CD1 4.32Å; K60-F224 HydrophobicContact CG-CB 3.97Å; K60-F224 HydrophobicContact CG-CD1 3.81Å; K60-F224 HydrophobicContact CG-CD2 4.23Å; K60-F224 HydrophobicContact CG-CE1 4.34Å; K60-F224 HydrophobicContact CG-CG 3.76Å; A62-F224 HydrophobicContact CB-CE2 4.25Å; A62-F224 HydrophobicContact CB-CZ 4.16Å; D84-F224 HydrophobicContact CB-CD1 4.45Å; D84-F224 HydrophobicContact CB-CE1 3.51Å; D84-F224 HydrophobicContact CB-CZ 3.96Å; R85-F224 HydrophobicContact CB-CZ 4.39Å; R85-F224 HydrophobicContact CG-CE1 3.82Å; R85-F224 HydrophobicContact CG-CZ 4Å; R85-F224 VanDerWaalsContact CZ-CE2 3.44Å; R85-F224 VanDerWaalsContact NH1-CG 3.34Å; R85-F224 VanDerWaalsContact NH1-CZ 3.3Å; Y122-F224 HydrophobicContact CE1-CB 4.05Å; Y122-F224 AromaticContact CE1-CD2 3.86Å; Y122-F224 HydrophobicContact CE1-CD2 3.86Å; Y122-F224 HydrophobicContact CE1-CG 4.39Å
225A85.2Confident87.5Confident2 Ų244.9 Ų44.92%0.01722%0.224CC..SBendtrans-68157.9178.400000113.1L31 I223 T229 R230L31-A225 HydrophobicContact CD1-CB 4.26Å; I223-A225 HydrophobicContact CD1-CB 3.75Å; I223-A225 HydrophobicContact CG1-CB 3.92Å; I223-A225 PolarHBondContact O-N 3.08Å; A225-T229 HydrophobicContact CB-CG2 3.57Å; A225-R230 PolarHBondContact O-NE 3.08Å; A225-R230 PolarHBondContact O-NH1 2.86Å; A225-R230 PolarHBondContact O-NH2 2.97Å
226C85.6Confident87.9Confident46 Ų4650.9 Ų50.931%0.31125%0.245SC..  trans-67.3165.4-178.569.30000112.9N228 T229 R230C226-N228 PolarHBondContact O-N 2.9Å; C226-N228 VanDerWaalsContact O-N 3.15Å; C226-T229 WeakPolarHBondContact O-CA 3.32Å; C226-T229 WeakPolarHBondContact O-CB 3.45Å; C226-T229 PolarHBondContact O-N 3.45Å; C226-T229 PolarHBondContact O-OG1 3.04Å; C226-T229 PolarHBondContact SG-OG1 3.26Å; C226-R230 PolarHBondContact O-N 3.08Å; C226-R230 VanDerWaalsContact O-N 3.11Å
227D86.5Confident88Confident98 Ų9852.9 Ų52.952%0.52425%0.249SC..Hα-helixtrans-59.8-27.9-178.9-68-31.2000114R230 S231D227-R230 PolarHBondContact O-N 2.86Å; D227-R230 IonicContact OD1-CZ 3.49Å; D227-R230 IonicContact OD1-NH1 3.91Å; D227-R230 PolarHBondContact OD1-NH1 3.42Å; D227-S231 VanDerWaalsContact O-CB 3.29Å; D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 3.5Å; D227-S231 PolarHBondContact O-OG 3.31Å
228N87.9Confident88.2Confident57 Ų5754.6 Ų54.631%0.30526%0.264SS..Hα-helixtrans-64-46174.6-170.155.4000110.9R125 C226 R230 S231 E232R125-N228 PolarHBondContact O-ND2 3.16Å; C226-N228 PolarHBondContact O-N 2.9Å; C226-N228 VanDerWaalsContact O-N 3.15Å; N228-R230 PolarHBondContact O-N 3.14Å; N228-S231 PolarHBondContact O-N 3.3Å; N228-E232 PolarHBondContact O-N 2.78Å
229T86.8Confident88.5Confident6 Ų656.5 Ų56.54%0.03727%0.273CS..Hα-helixtrans-56.5-50.8173.1-40.90000111C124 I223 A225 C226 S231 E232 L233C124-T229 HydrophobicContact CB-CG2 3.46Å; C124-T229 VanDerWaalsContact CB-CG2 3.46Å; C124-T229 WeakPolarHBondContact CB-OG1 3.17Å; C124-T229 VanDerWaalsContact SG-CG2 3.59Å; I223-T229 HydrophobicContact CD1-CG2 4.16Å; A225-T229 HydrophobicContact CB-CG2 3.57Å; C226-T229 WeakPolarHBondContact O-CA 3.32Å; C226-T229 WeakPolarHBondContact O-CB 3.45Å; C226-T229 PolarHBondContact O-N 3.45Å; C226-T229 PolarHBondContact O-OG1 3.04Å; C226-T229 PolarHBondContact SG-OG1 3.26Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 3.18Å; T229-E232 PolarHBondContact O-N 3.2Å; T229-L233 HydrophobicContact CG2-CD1 3.99Å; T229-L233 HydrophobicContact CG2-CG 4.43Å; T229-L233 WeakPolarHBondContact O-CB 3.37Å; T229-L233 VanDerWaalsContact O-CG 3.32Å; T229-L233 WeakPolarHBondContact O-CG 3.31Å; T229-L233 PolarHBondContact O-N 2.71Å
230R83.8Confident88.7Confident55 Ų5559.2 Ų59.221%0.20829%0.286CS..Hα-helixtrans-58.8-43.7179.8-65.2-176.2-172117.13110.8I220 I223 A225 C226 D227 N228 L233 R234I220-R230 HydrophobicContact CG2-CB 3.8Å; I220-R230 HydrophobicContact CG2-CG 4.05Å; I220-R230 WeakPolarHBondContact O-CG 3.48Å; I223-R230 HydrophobicContact CD1-CG 3.76Å; I223-R230 HydrophobicContact CG1-CG 3.91Å; I223-R230 PolarHBondContact O-NH2 2.84Å; A225-R230 PolarHBondContact O-NE 3.08Å; A225-R230 PolarHBondContact O-NH1 2.86Å; A225-R230 PolarHBondContact O-NH2 2.97Å; C226-R230 PolarHBondContact O-N 3.08Å; C226-R230 VanDerWaalsContact O-N 3.11Å; D227-R230 PolarHBondContact O-N 2.86Å; D227-R230 IonicContact OD1-CZ 3.49Å; D227-R230 IonicContact OD1-NH1 3.91Å; D227-R230 PolarHBondContact OD1-NH1 3.42Å; N228-R230 PolarHBondContact O-N 3.14Å; R230-L233 PolarHBondContact O-N 3.06Å; R230-R234 WeakPolarHBondContact O-CB 3.37Å; R230-R234 VanDerWaalsContact O-CG 3.23Å; R230-R234 WeakPolarHBondContact O-CG 3.28Å; R230-R234 PolarHBondContact O-N 2.66Å
231S92.4Very high88.9Confident56 Ų5662.6 Ų62.639%0.39230%0.3SS..Hα-helixtrans-64.3-42.2179.3-62.60000112.2D227 N228 T229 R234 K235D227-S231 VanDerWaalsContact O-CB 3.29Å; D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 3.5Å; D227-S231 PolarHBondContact O-OG 3.31Å; N228-S231 PolarHBondContact O-N 3.3Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 3.18Å; S231-R234 PolarHBondContact O-N 3.35Å; S231-K235 WeakPolarHBondContact O-CG 3.44Å; S231-K235 PolarHBondContact O-N 2.83Å
232E93.5Very high88.8Confident67 Ų6766.2 Ų66.231%0.31332%0.315SS..Hα-helixtrans-65.9-44.6176.5177.255.5-163.100111.7N228 T229 R234 K235 R236N228-E232 PolarHBondContact O-N 2.78Å; T229-E232 PolarHBondContact O-N 3.2Å; E232-R234 VanDerWaalsContact C-N 3.33Å; E232-R234 PolarHBondContact O-N 3.24Å; E232-K235 PolarHBondContact O-N 3.47Å; E232-R236 WeakPolarHBondContact O-CG 3.16Å; E232-R236 PolarHBondContact O-N 3.32Å; E232-R236 IonicContact OE1-CZ 3.84Å; E232-R236 IonicContact OE1-NE 3.5Å; E232-R236 PolarHBondContact OE1-NE 3.43Å; E232-R236 IonicContact OE1-NH2 2.69Å; E232-R236 PolarHBondContact OE1-NH2 2.99Å
233L91.5Very high88.9Confident28 Ų2869.5 Ų69.515%0.14733%0.33CS..Hα-helixtrans-59.8-43.9173.6-69.2171.7000111.2L121 I220 I223 T229 R230 K235 R236 W237L121-L233 HydrophobicContact CD2-CD1 3.82Å; I220-L233 HydrophobicContact CD1-CB 3.88Å; I220-L233 HydrophobicContact CG1-CB 4.17Å; I220-L233 HydrophobicContact CG2-CB 4.05Å; I220-L233 HydrophobicContact CG2-CD1 4.32Å; I223-L233 HydrophobicContact CD1-CD1 3.58Å; T229-L233 HydrophobicContact CG2-CD1 3.99Å; T229-L233 HydrophobicContact CG2-CG 4.43Å; T229-L233 WeakPolarHBondContact O-CB 3.37Å; T229-L233 VanDerWaalsContact O-CG 3.32Å; T229-L233 WeakPolarHBondContact O-CG 3.31Å; T229-L233 PolarHBondContact O-N 2.71Å; R230-L233 PolarHBondContact O-N 3.06Å; L233-K235 PolarHBondContact O-N 3.46Å; L233-R236 WeakPolarHBondContact O-CB 3.39Å; L233-R236 PolarHBondContact O-N 2.68Å; L233-W237 HydrophobicContact CD2-CZ3 3.98Å; L233-W237 PolarHBondContact O-N 3.25Å
234R91.8Very high88.8Confident57 Ų5773.1 Ų73.122%0.21535%0.353CS..Hα-helixtrans-59-45.1176.5-77.2178.7-178.6-69.5-6.2111.8Y217 I220 N221 R230 S231 E232 R236 W237 T238Y217-R234 HydrophobicContact CE2-CB 4.17Å; Y217-R234 HydrophobicContact CE2-CG 3.98Å; Y217-R234 PolarHBondContact OH-NH1 2.97Å; Y217-R234 VanDerWaalsContact OH-NH1 3.1Å; I220-R234 HydrophobicContact CD1-CG 4.13Å; I220-R234 HydrophobicContact CG2-CG 4.17Å; N221-R234 PolarHBondContact ND2-NH2 3.34Å; N221-R234 VanDerWaalsContact ND2-NH2 3.2Å; N221-R234 PolarHBondContact OD1-NH2 2.66Å; R230-R234 WeakPolarHBondContact O-CB 3.37Å; R230-R234 VanDerWaalsContact O-CG 3.23Å; R230-R234 WeakPolarHBondContact O-CG 3.28Å; R230-R234 PolarHBondContact O-N 2.66Å; S231-R234 PolarHBondContact O-N 3.35Å; E232-R234 VanDerWaalsContact C-N 3.33Å; E232-R234 PolarHBondContact O-N 3.24Å; R234-R236 VanDerWaalsContact C-N 3.34Å; R234-R236 PolarHBondContact O-N 3.47Å; R234-W237 PolarHBondContact O-N 2.67Å; R234-T238 WeakPolarHBondContact O-CB 3.46Å; R234-T238 PolarHBondContact O-N 3.38Å; R234-T238 PolarHBondContact O-OG1 3.47Å
235K94.4Very high88.7Confident142 Ų14272.9 Ų72.962%0.61735%0.352SS*.Hα-helixtrans-59.3-45.5176-72.8171.7-174.7173.70111.6S231 E232 L233 T238 H239S231-K235 WeakPolarHBondContact O-CG 3.44Å; S231-K235 PolarHBondContact O-N 2.83Å; E232-K235 PolarHBondContact O-N 3.47Å; L233-K235 PolarHBondContact O-N 3.46Å; K235-T238 PolarHBondContact O-N 3.05Å; K235-H239 PolarHBondContact O-N 3.06Å
236R93.2Very high88.1Confident141 Ų14178.3 Ų78.353%0.53238%0.381SS..Hα-helixtrans-61-48.3177.6-70.3175.8-175.7-162.60.3111.7E232 L233 R234 H239 L240E232-R236 WeakPolarHBondContact O-CG 3.16Å; E232-R236 PolarHBondContact O-N 3.32Å; E232-R236 IonicContact OE1-CZ 3.84Å; E232-R236 IonicContact OE1-NE 3.5Å; E232-R236 PolarHBondContact OE1-NE 3.43Å; E232-R236 IonicContact OE1-NH2 2.69Å; E232-R236 PolarHBondContact OE1-NH2 2.99Å; L233-R236 WeakPolarHBondContact O-CB 3.39Å; L233-R236 PolarHBondContact O-N 2.68Å; R234-R236 VanDerWaalsContact C-N 3.34Å; R234-R236 PolarHBondContact O-N 3.47Å; R236-H239 PolarHBondContact O-N 3.12Å; R236-L240 WeakPolarHBondContact O-CG 3.12Å; R236-L240 PolarHBondContact O-N 3.03Å
237W92.1Very high86.8Confident68 Ų6880.2 Ų80.226%0.25839%0.394SS..Hα-helixtrans-60.3-49.4175.8-100.5-112.4000110.9W213 S216 Y217 I220 L233 R234 H239 L240 K241W213-W237 HydrophobicContact CH2-CB 4.35Å; W213-W237 AromaticContact CH2-CD1 3.93Å; W213-W237 HydrophobicContact CH2-CG 4.32Å; W213-W237 WeakPolarHBondContact CH2-O 3.22Å; W213-W237 HydrophobicContact CZ2-CB 3.91Å; W213-W237 AromaticContact CZ2-CD1 3.65Å; W213-W237 HydrophobicContact CZ2-CG 4.1Å; W213-W237 WeakPolarHBondContact CZ2-O 3.32Å; S216-W237 PolarHBondContact OG-NE1 3.1Å; Y217-W237 HydrophobicContact CD2-CB 3.49Å; Y217-W237 VanDerWaalsContact CD2-CB 3.49Å; Y217-W237 AromaticContact CD2-CD1 3.78Å; Y217-W237 AromaticContact CD2-CG 3.84Å; Y217-W237 HydrophobicContact CD2-CG 3.84Å; Y217-W237 HydrophobicContact CE2-CB 3.81Å; I220-W237 HydrophobicContact CD1-CB 4.49Å; I220-W237 HydrophobicContact CD1-CD2 4.08Å; I220-W237 HydrophobicContact CD1-CE3 4.3Å; I220-W237 HydrophobicContact CD1-CG 4.18Å; L233-W237 HydrophobicContact CD2-CZ3 3.98Å; L233-W237 PolarHBondContact O-N 3.25Å; R234-W237 PolarHBondContact O-N 2.67Å; W237-H239 PolarHBondContact O-N 3.44Å; W237-L240 CarbonylContact O-C 3.52Å; W237-L240 WeakPolarHBondContact O-CA 3.43Å; W237-L240 PolarHBondContact O-N 2.98Å; W237-K241 PolarHBondContact O-N 2.81Å
238T91.3Very high84.9Confident82 Ų8282.8 Ų82.850%0.50341%0.408SS..Hα-helixtrans-56.6-40179-60.40000112R234 K235 K241R234-T238 WeakPolarHBondContact O-CB 3.46Å; R234-T238 PolarHBondContact O-N 3.38Å; R234-T238 PolarHBondContact O-OG1 3.47Å; K235-T238 PolarHBondContact O-N 3.05Å; T238-K241 PolarHBondContact O-N 3.24Å
239H91.8Very high82.8Confident118 Ų11889 Ų8955%0.54644%0.435SS..Hα-helixtrans-65.2-39174.1-179.373000112.8K235 R236 W237 K243K235-H239 PolarHBondContact O-N 3.06Å; R236-H239 PolarHBondContact O-N 3.12Å; W237-H239 PolarHBondContact O-N 3.44Å; H239-K243 PolarHBondContact NE2-NZ 2.83Å; H239-K243 VanDerWaalsContact NE2-NZ 3.12Å
240L90.9Very high80.6Confident74 Ų7493.7 Ų93.739%0.38746%0.463SS..Hα-helixtrans-74.3-25178.6-70.6171.5000113.1W213 R236 W237 Q242 K243 V244W213-L240 HydrophobicContact CH2-CB 3.87Å; W213-L240 HydrophobicContact CZ3-CB 4.42Å; R236-L240 WeakPolarHBondContact O-CG 3.12Å; R236-L240 PolarHBondContact O-N 3.03Å; W237-L240 CarbonylContact O-C 3.52Å; W237-L240 WeakPolarHBondContact O-CA 3.43Å; W237-L240 PolarHBondContact O-N 2.98Å; L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 2.54Å; L240-K243 WeakPolarHBondContact O-CB 3.28Å; L240-K243 PolarHBondContact O-N 3.28Å; L240-V244 PolarHBondContact O-N 2.84Å
241K88.7Confident78.3Confident73 Ų7397.5 Ų97.532%0.31749%0.488SS..Hα-helixtrans-52-46.2-174.3-169.5166.3-173.5160.10112.5W213 D214 W237 T238 V244 L245W213-K241 HydrophobicContact CD2-CB 4.45Å; W213-K241 HydrophobicContact CD2-CG 4.05Å; W213-K241 HydrophobicContact CH2-CB 3.8Å; W213-K241 HydrophobicContact CH2-CG 4.44Å; W213-K241 HydrophobicContact CZ2-CB 3.41Å; W213-K241 VanDerWaalsContact CZ2-CB 3.41Å; W213-K241 HydrophobicContact CZ2-CD 4.3Å; W213-K241 HydrophobicContact CZ2-CG 3.84Å; W213-K241 HydrophobicContact CZ3-CB 4.44Å; D214-K241 IonicContact OD1-NZ 3.26Å; W237-K241 PolarHBondContact O-N 2.81Å; T238-K241 PolarHBondContact O-N 3.24Å; K241-V244 PolarHBondContact O-N 2.69Å; K241-L245 HydrophobicContact CD-CD1 4.24Å; K241-L245 HydrophobicContact CG-CD1 3.57Å; K241-L245 HydrophobicContact CG-CG 4.39Å; K241-L245 WeakPolarHBondContact O-CB 3.18Å; K241-L245 WeakPolarHBondContact O-CG 3.49Å; K241-L245 PolarHBondContact O-N 3.48Å
242Q81.6Confident75.7Confident139 Ų139105.7 Ų105.765%0.6551%0.512SS*.Hα-helixtrans-65.8-40.5179.6-67.1-179.8-18.700112L240 N246L240-Q242 VanDerWaalsContact C-N 3.28Å; L240-Q242 PolarHBondContact O-N 2.54Å; Q242-N246 WeakPolarHBondContact O-CB 3.29Å; Q242-N246 VanDerWaalsContact O-CG 3.24Å; Q242-N246 PolarHBondContact O-N 3.18Å; Q242-N246 VanDerWaalsContact O-N 3.12Å; Q242-N246 PolarHBondContact O-ND2 2.97Å
243K85.4Confident73Confident121 Ų121115 Ų11553%0.52655%0.552SS.*Hα-helixtrans-68.2-38.2179.5-69.2174.7174.3167.50111.9H239 L240 C247H239-K243 PolarHBondContact NE2-NZ 2.83Å; H239-K243 VanDerWaalsContact NE2-NZ 3.12Å; L240-K243 WeakPolarHBondContact O-CB 3.28Å; L240-K243 PolarHBondContact O-N 3.28Å; K243-C247 PolarHBondContact O-SG 3.16Å
244V83.7Confident72.1Confident85 Ų85119.4 Ų119.452%0.51557%0.572SS.*Hα-helixtrans-79.8-42.1-176.5175.20000111.5W213 L240 K241W213-V244 HydrophobicContact CE3-CB 4.06Å; W213-V244 HydrophobicContact CE3-CG1 3.99Å; W213-V244 HydrophobicContact CZ3-CB 3.74Å; W213-V244 HydrophobicContact CZ3-CG1 4.08Å; W213-V244 HydrophobicContact CZ3-CG2 3.87Å; L240-V244 PolarHBondContact O-N 2.84Å; K241-V244 PolarHBondContact O-N 2.69Å
245L84.1Confident71Confident15 Ų15122.6 Ų122.68%0.07959%0.591CS.*Hα-helixtrans-90.6-17.2-172.6-60.1177.3000114.4P209 F210 W213 K241P209-L245 HydrophobicContact CB-CD2 4Å; F210-L245 HydrophobicContact CD1-CD1 3.59Å; F210-L245 HydrophobicContact CE1-CB 4.33Å; F210-L245 HydrophobicContact CE1-CD1 3.58Å; F210-L245 HydrophobicContact CE1-CG 4.44Å; F210-L245 HydrophobicContact CG-CD1 4.4Å; F210-L245 HydrophobicContact CZ-CB 4.4Å; F210-L245 HydrophobicContact CZ-CD1 4.39Å; W213-L245 HydrophobicContact CB-CD1 4.22Å; W213-L245 HydrophobicContact CB-CD2 4.18Å; W213-L245 HydrophobicContact CD2-CD1 4.19Å; W213-L245 HydrophobicContact CE3-CG 4.35Å; W213-L245 HydrophobicContact CG-CD1 4Å; K241-L245 HydrophobicContact CD-CD1 4.24Å; K241-L245 HydrophobicContact CG-CD1 3.57Å; K241-L245 HydrophobicContact CG-CG 4.39Å; K241-L245 WeakPolarHBondContact O-CB 3.18Å; K241-L245 WeakPolarHBondContact O-CG 3.49Å; K241-L245 PolarHBondContact O-N 3.48Å
246N74Confident69.7Low117 Ų117121.6 Ų121.663%0.62659%0.589SS**SBendtrans-95.42.6176.7-59-16.7000113.4Q242 N248Q242-N246 WeakPolarHBondContact O-CB 3.29Å; Q242-N246 VanDerWaalsContact O-CG 3.24Å; Q242-N246 PolarHBondContact O-N 3.18Å; Q242-N246 VanDerWaalsContact O-N 3.12Å; Q242-N246 PolarHBondContact O-ND2 2.97Å; N246-N248 PolarHBondContact O-N 3.23Å
247C56.8Low68.3Low85 Ų85120.4 Ų120.457%0.57459%0.593SS**  trans-74.429.5179.1-91.20000114.6K243 E249K243-C247 PolarHBondContact O-SG 3.16Å; C247-E249 PolarHBondContact O-N 3.5Å
248N48Very low66.9Low153 Ų153123.7 Ų123.782%0.81861%0.613SS**THydrogen-bonded Turntrans-79.115171.9-72.6-23.3000113.5N246N246-N248 PolarHBondContact O-N 3.23Å
249E42.9Very low65.2Low187 Ų187126.5 Ų126.587%0.87462%0.621SS**THydrogen-bonded Turntrans-117.126.6175.6-79.7-163165.200114.3C247C247-E249 PolarHBondContact O-N 3.5Å
250V40Very low63.3Low105 Ų105127.1 Ų127.164%0.63663%0.626SS**  trans-119.397.1166.9-167.50000109.9Y252V250-Y252 PolarHBondContact O-N 3.35Å
251N35.6Very low61.2Low134 Ų134131.2 Ų131.272%0.71765%0.645SS**  trans-49.5119.9164.5-68.8-54.3000109.6F253N251-F253 HydrophobicContact CB-CE2 4.49Å; N251-F253 PolarHBondContact O-N 2.63Å
252Y37.5Very low58.9Low229 Ų229136 Ų13690%0.89867%0.672SS**  trans-76.5109.4160.2-77.4-88.6000107.5V250V250-Y252 PolarHBondContact O-N 3.35Å
253F37.4Very low56.9Low262 Ų262135.7 Ų135.7100%1.14967%0.674SS**  trans-78.20160.7-78.3-82.9000110N251N251-F253 HydrophobicContact CB-CE2 4.49Å; N251-F253 PolarHBondContact O-N 2.63Å

Retrieved 253 of 253 residues in 77.2 ms (Link to these results)

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