A0A077Z666_TRITR Loading...

3-ketoacyl-[acyl-carrier-protein] reductase beta subunit

AlphaFold DB , UniProt , Accession A0A077Z666, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 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
1M97.9Very high95.5Very high21 Ų2119.8 Ų19.810%0.10311%0.107CC..  0136.70173.9171.2-74.300108.8V25 M64 V65 A68 I75 Y77 A78 L79 E99M1-V25 HydrophobicContact CE-CB 4.47Å; M1-V25 HydrophobicContact CE-CG1 4.13Å; M1-M64 HydrophobicContact CE-CB 4.48Å; M1-M64 HydrophobicContact CE-CG 3.95Å; M1-M64 VanDerWaalsContact CE-O 3.23Å; M1-M64 WeakPolarHBondContact CE-O 3.12Å; M1-M64 HydrophobicContact SD-CE 3.67Å; M1-M64 HydrophobicContact SD-CG 3.68Å; M1-M64 HydrophobicContact SD-SD 3.79Å; M1-V65 HydrophobicContact CE-CG2 4.46Å; M1-V65 HydrophobicContact SD-CG2 4.26Å; M1-A68 HydrophobicContact CE-CB 3.14Å; M1-I75 HydrophobicContact CB-CG2 4.34Å; M1-I75 HydrophobicContact CE-CD1 3.69Å; M1-I75 HydrophobicContact CE-CG1 4.5Å; M1-I75 HydrophobicContact SD-CD1 4.18Å; M1-Y77 PolarHBondContact N-O 3.4Å; M1-A78 CarbonylContact O-C 3.59Å; M1-A78 WeakPolarHBondContact O-CA 3.44Å; M1-L79 PolarHBondContact O-N 2.89Å; M1-E99 HydrophobicContact SD-CG 4.36Å
2I98.2Very high95.6Very high7 Ų718.4 Ų18.44%0.03610%0.1CC..EExtended strand (participates in β ladder)trans-134.8113.5-177-59.4170.2000109V13 A14 I24 V25 A27 L79I2-V13 HydrophobicContact CD1-CB 4.42Å; I2-V13 HydrophobicContact CD1-CG1 3.99Å; I2-A14 HydrophobicContact CD1-CB 3.51Å; I2-I24 HydrophobicContact CD1-CG2 4.42Å; I2-V25 PolarHBondContact N-O 3.18Å; I2-A27 PolarHBondContact O-N 2.88Å; I2-L79 HydrophobicContact CG1-CB 4.15Å; I2-L79 HydrophobicContact CG2-CB 4.32Å; I2-L79 HydrophobicContact CG2-CD2 3.96Å; I2-L79 HydrophobicContact CG2-CG 4.38Å
3T96.2Very high95.8Very high1 Ų117.1 Ų17.11%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-83.1142.4167.669.60000109.4G5 A27 V55 M64 L79 N80 A81 A82T3-G5 VanDerWaalsContact C-N 3.28Å; T3-A27 CarbonylContact C-O 3.51Å; T3-A27 WeakPolarHBondContact CA-O 3.37Å; T3-A27 HydrophobicContact CG2-CB 4.28Å; T3-V55 HydrophobicContact CG2-CG1 3.88Å; T3-M64 HydrophobicContact CG2-CE 3.95Å; T3-M64 HydrophobicContact CG2-SD 3.67Å; T3-L79 PolarHBondContact N-O 2.89Å; T3-L79 PolarHBondContact OG1-O 3.39Å; T3-N80 WeakPolarHBondContact OG1-CA 3.32Å; T3-A81 CarbonylContact O-C 3.31Å; T3-A81 WeakPolarHBondContact O-CB 3.4Å; T3-A81 PolarHBondContact O-N 2.98Å; T3-A81 PolarHBondContact OG1-N 3.5Å; T3-A81 VanDerWaalsContact OG1-N 3.16Å; T3-A82 PolarHBondContact O-N 3.3Å; T3-A82 PolarHBondContact OG1-N 3.42Å
4G94.1Very high96Very high15 Ų1515.9 Ų15.916%0.1559%0.086CC..THydrogen-bonded Turntrans72.823.2-173.400000113A6 A27 D28G4-A6 VanDerWaalsContact C-N 3.29Å; G4-A6 PolarHBondContact O-N 2.83Å; G4-A27 PolarHBondContact N-O 3.09Å; G4-D28 WeakPolarHBondContact CA-OD2 3.12Å
5G96.2Very high96.1Very high0 Ų016 Ų160%09%0.086CC..THydrogen-bonded Turntrans-77.4-4-172.900000115.3T3 R7 R11 D28T3-G5 VanDerWaalsContact C-N 3.28Å; G5-R7 PolarHBondContact O-N 3.27Å; G5-R11 WeakPolarHBondContact O-CA 3.46Å; G5-R11 WeakPolarHBondContact O-CB 3.15Å; G5-R11 PolarHBondContact O-N 3.07Å; G5-D28 PolarHBondContact N-OD2 2.89Å
6A95.8Very high96.2Very high4 Ų422.3 Ų22.33%0.03311%0.109CC..THydrogen-bonded Turntrans-78.1-17.5-17500000114.4G4 D28 L30 K33 T37G4-A6 VanDerWaalsContact C-N 3.29Å; G4-A6 PolarHBondContact O-N 2.83Å; A6-D28 HydrophobicContact CB-CB 3.68Å; A6-D28 WeakPolarHBondContact CB-OD2 3.45Å; A6-D28 PolarHBondContact N-OD2 2.89Å; A6-L30 HydrophobicContact CB-CB 4.06Å; A6-K33 HydrophobicContact CB-CB 3.8Å; A6-T37 PolarHBondContact O-OG1 2.98Å
7R93.8Very high96.3Very high48 Ų4821.8 Ų21.818%0.18111%0.108CC..SBendtrans-156.7175.8-179.266.1180-173.9174.12.5112.7G5 I9 G10 R11 H84G5-R7 PolarHBondContact O-N 3.27Å; R7-I9 PolarHBondContact O-N 2.85Å; R7-G10 PolarHBondContact O-N 3.33Å; R7-R11 PolarHBondContact O-N 2.98Å; R7-H84 PolarHBondContact NH2-CD2 3.49Å; R7-H84 PolarHBondContact NH2-NE2 3.42Å
8G92.7Very high96.4Very high24 Ų2421 Ų2125%0.24711%0.106CC..Hα-helixtrans54.6-133.9171.300000113.4R11 A12G8-R11 PolarHBondContact O-N 3Å; G8-A12 PolarHBondContact O-N 3.25Å
9I93.4Very high96.5Very high20 Ų2027.2 Ų27.210%0.10313%0.132CC..Hα-helixtrans-63.2-46.6-176.5-60.6170.2000111.5R7 R11 A12 V13 M148 T151 T153 V173 Q176 I180R7-I9 PolarHBondContact O-N 2.85Å; I9-R11 VanDerWaalsContact C-N 3.31Å; I9-R11 PolarHBondContact O-N 3.1Å; I9-A12 PolarHBondContact O-N 3.41Å; I9-A12 VanDerWaalsContact O-N 3.12Å; I9-V13 HydrophobicContact CG2-CG2 4.32Å; I9-V13 WeakPolarHBondContact O-CG2 3.16Å; I9-V13 PolarHBondContact O-N 3.19Å; I9-M148 HydrophobicContact CD1-CE 3.49Å; I9-M148 VanDerWaalsContact CD1-CE 3.49Å; I9-M148 HydrophobicContact CD1-SD 3.29Å; I9-M148 WeakPolarHBondContact CD1-SD 3.12Å; I9-T151 HydrophobicContact CD1-CG2 3.96Å; I9-T151 HydrophobicContact CG1-CG2 3.97Å; I9-T153 HydrophobicContact CG1-CG2 4.23Å; I9-V173 HydrophobicContact CG1-CG1 4.23Å; I9-Q176 HydrophobicContact CD1-CB 4.21Å; I9-Q176 HydrophobicContact CD1-CG 4.12Å; I9-Q176 HydrophobicContact CG1-CB 4.29Å; I9-Q176 HydrophobicContact CG2-CB 4.13Å; I9-I180 HydrophobicContact CG2-CD1 3.58Å
10G95.8Very high96.5Very high2 Ų232.1 Ų32.12%0.02116%0.155CC..Hα-helixtrans-58.3-43.5-179.800000112R7 V13 A14R7-G10 PolarHBondContact O-N 3.33Å; G10-V13 PolarHBondContact O-N 3.3Å; G10-A14 WeakPolarHBondContact O-CB 3.41Å; G10-A14 PolarHBondContact O-N 3.3Å
11R96.7Very high96.6Very high76 Ų7633.7 Ų33.729%0.28718%0.179SC..Hα-helixtrans-63.7-43.2174.5179.6174.6177.6-75.410.1112.7G5 R7 G8 I9 A14 I15 T37 E40G5-R11 WeakPolarHBondContact O-CA 3.46Å; G5-R11 WeakPolarHBondContact O-CB 3.15Å; G5-R11 PolarHBondContact O-N 3.07Å; R7-R11 PolarHBondContact O-N 2.98Å; G8-R11 PolarHBondContact O-N 3Å; I9-R11 VanDerWaalsContact C-N 3.31Å; I9-R11 PolarHBondContact O-N 3.1Å; R11-A14 WeakPolarHBondContact O-CB 3.39Å; R11-A14 PolarHBondContact O-N 3.17Å; R11-I15 HydrophobicContact CG-CD1 3.92Å; R11-I15 WeakPolarHBondContact O-CG1 3.39Å; R11-I15 PolarHBondContact O-N 3.26Å; R11-T37 HydrophobicContact CB-CG2 4.4Å; R11-T37 WeakPolarHBondContact CD-OG1 3.43Å; R11-T37 HydrophobicContact CG-CG2 3.78Å; R11-E40 IonicContact CZ-OE1 3.25Å; R11-E40 IonicContact CZ-OE2 2.77Å; R11-E40 IonicContact NE-OE1 3.77Å; R11-E40 IonicContact NH2-OE1 3.39Å; R11-E40 PolarHBondContact NH2-OE1 3.38Å; R11-E40 IonicContact NH2-OE2 3.8Å; R11-E40 PolarHBondContact NH2-OE2 2.7Å
12A96.6Very high96.6Very high3 Ų334.1 Ų34.13%0.02519%0.187CC..Hα-helixtrans-62.1-43.9178.400000111.6G8 I9 R16 V173 W174 A177G8-A12 PolarHBondContact O-N 3.25Å; I9-A12 PolarHBondContact O-N 3.41Å; I9-A12 VanDerWaalsContact O-N 3.12Å; A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 2.86Å; A12-V173 HydrophobicContact CB-CB 3.8Å; A12-V173 HydrophobicContact CB-CG2 3.82Å; A12-W174 HydrophobicContact CB-CE3 4.13Å; A12-W174 HydrophobicContact CB-CH2 4.28Å; A12-W174 HydrophobicContact CB-CZ3 3.93Å; A12-A177 HydrophobicContact CB-CB 4.3Å
13V98.2Very high96.6Very high1 Ų137.6 Ų37.61%0.00621%0.205CC..Hα-helixtrans-62-44.5174.1175.10000110.6I2 I9 G10 I15 R16 A17 L79 A177 I180 L181I2-V13 HydrophobicContact CD1-CB 4.42Å; I2-V13 HydrophobicContact CD1-CG1 3.99Å; I9-V13 HydrophobicContact CG2-CG2 4.32Å; I9-V13 WeakPolarHBondContact O-CG2 3.16Å; I9-V13 PolarHBondContact O-N 3.19Å; G10-V13 PolarHBondContact O-N 3.3Å; V13-I15 PolarHBondContact O-N 3.29Å; V13-R16 PolarHBondContact O-N 3.46Å; V13-A17 WeakPolarHBondContact O-CB 3.33Å; V13-A17 PolarHBondContact O-N 3.44Å; V13-L79 HydrophobicContact CB-CD2 3.84Å; V13-L79 HydrophobicContact CG1-CD2 3.83Å; V13-L79 HydrophobicContact CG2-CD2 3.82Å; V13-A177 HydrophobicContact CG2-CB 3.71Å; V13-I180 HydrophobicContact CG1-CG2 4.16Å; V13-I180 HydrophobicContact CG2-CB 4.17Å; V13-I180 HydrophobicContact CG2-CD1 3.83Å; V13-I180 HydrophobicContact CG2-CG2 3.97Å; V13-L181 HydrophobicContact CG1-CD2 4.05Å; V13-L181 HydrophobicContact CG1-CG 4.43Å
14A98.5Very high96.7Very high0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-58.8-50.3-179.700000112.9I2 G10 R11 R16 A18 I24 I26 T37 I41I2-A14 HydrophobicContact CD1-CB 3.51Å; G10-A14 WeakPolarHBondContact O-CB 3.41Å; G10-A14 PolarHBondContact O-N 3.3Å; R11-A14 WeakPolarHBondContact O-CB 3.39Å; R11-A14 PolarHBondContact O-N 3.17Å; A14-R16 PolarHBondContact O-N 3.11Å; A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.07Å; A14-I24 HydrophobicContact CB-CG2 4.06Å; A14-I26 HydrophobicContact CB-CD1 3.48Å; A14-I26 VanDerWaalsContact CB-CD1 3.48Å; A14-T37 HydrophobicContact CB-CG2 4.32Å; A14-I41 HydrophobicContact CB-CD1 4Å
15I97.6Very high97Very high18 Ų1837.3 Ų37.39%0.09220%0.2CC..Hα-helixtrans-65-41.5179.8-67.4170000110.6R11 V13 K19 I41 I44R11-I15 HydrophobicContact CG-CD1 3.92Å; R11-I15 WeakPolarHBondContact O-CG1 3.39Å; R11-I15 PolarHBondContact O-N 3.26Å; V13-I15 PolarHBondContact O-N 3.29Å; I15-K19 WeakPolarHBondContact O-CG 3.48Å; I15-K19 PolarHBondContact O-N 3.13Å; I15-I41 HydrophobicContact CG1-CG1 4.18Å; I15-I44 HydrophobicContact CG2-CD1 4.33Å
16R97.6Very high97.1Very high117 Ų11737.4 Ų37.444%0.44220%0.201SC..Hα-helixtrans-70.4-44.2179.8-179.561.3-171.2-119.74.6111.8A12 V13 A14 A18 K19 E20 W174 L181A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 2.86Å; V13-R16 PolarHBondContact O-N 3.46Å; A14-R16 PolarHBondContact O-N 3.11Å; R16-A18 VanDerWaalsContact C-N 3.26Å; R16-A18 PolarHBondContact O-N 2.84Å; R16-K19 WeakPolarHBondContact O-CB 3.45Å; R16-K19 PolarHBondContact O-N 3.38Å; R16-E20 IonicContact CZ-OE1 2.69Å; R16-E20 VanDerWaalsContact CZ-OE1 3.24Å; R16-E20 IonicContact NE-OE1 3.24Å; R16-E20 PolarHBondContact NE-OE1 3.18Å; R16-E20 IonicContact NH2-OE1 3.24Å; R16-E20 PolarHBondContact NH2-OE1 3.25Å; R16-E20 PolarHBondContact O-N 2.8Å; R16-W174 HydrophobicContact CB-CZ3 4.35Å; R16-L181 HydrophobicContact CB-CD1 3.73Å; R16-L181 HydrophobicContact CG-CD1 3.2Å
17A98.3Very high97.2Very high13 Ų1337.2 Ų37.211%0.10720%0.199CC..Hα-helixtrans-57.6-40.2175.100000111.8V13 K19 E20 G21 A22 I24 L181V13-A17 WeakPolarHBondContact O-CB 3.33Å; V13-A17 PolarHBondContact O-N 3.44Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 2.88Å; A17-E20 CarbonylContact O-C 3.46Å; A17-E20 PolarHBondContact O-N 3.45Å; A17-E20 VanDerWaalsContact O-N 3.1Å; A17-G21 PolarHBondContact O-N 3.17Å; A17-A22 HydrophobicContact CB-CB 4.15Å; A17-A22 VanDerWaalsContact O-CB 3.32Å; A17-A22 WeakPolarHBondContact O-CB 3.49Å; A17-A22 PolarHBondContact O-N 3.25Å; A17-A22 VanDerWaalsContact O-N 3.1Å; A17-I24 HydrophobicContact CB-CD1 3.72Å; A17-L181 HydrophobicContact CB-CD2 3.89Å
18A98.4Very high97.3Very high8 Ų835.5 Ų35.57%0.06619%0.194CC..Hα-helixtrans-61.4-37.8175.500000112.7A14 R16 E20 G21 I24 I41A14-A18 WeakPolarHBondContact O-CB 3.33Å; A14-A18 PolarHBondContact O-N 3.07Å; R16-A18 VanDerWaalsContact C-N 3.26Å; R16-A18 PolarHBondContact O-N 2.84Å; A18-E20 PolarHBondContact O-N 2.87Å; A18-G21 PolarHBondContact O-N 3.34Å; A18-I24 HydrophobicContact CB-CG1 3.93Å; A18-I41 HydrophobicContact CB-CB 4.37Å; A18-I41 HydrophobicContact CB-CG1 4.1Å; A18-I41 HydrophobicContact CB-CG2 3.49Å; A18-I41 VanDerWaalsContact CB-CG2 3.49Å
19K97.4Very high97.3Very high139 Ų13941.5 Ų41.560%0.60421%0.209SC*.Hα-helixtrans-65.8-26.2175-69.7176.7178.3-1770113I15 R16 A17 I44I15-K19 WeakPolarHBondContact O-CG 3.48Å; I15-K19 PolarHBondContact O-N 3.13Å; R16-K19 WeakPolarHBondContact O-CB 3.45Å; R16-K19 PolarHBondContact O-N 3.38Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 2.88Å; K19-I44 HydrophobicContact CD-CD1 4.5Å; K19-I44 HydrophobicContact CG-CD1 3.76Å
20E97Very high97.4Very high125 Ų12543.1 Ų43.158%0.58422%0.217SC*.THydrogen-bonded Turntrans-83.54172.4-52.7-61.8161.600112.3R16 A17 A18R16-E20 IonicContact CZ-OE1 2.69Å; R16-E20 VanDerWaalsContact CZ-OE1 3.24Å; R16-E20 IonicContact NE-OE1 3.24Å; R16-E20 PolarHBondContact NE-OE1 3.18Å; R16-E20 IonicContact NH2-OE1 3.24Å; R16-E20 PolarHBondContact NH2-OE1 3.25Å; R16-E20 PolarHBondContact O-N 2.8Å; A17-E20 CarbonylContact O-C 3.46Å; A17-E20 PolarHBondContact O-N 3.45Å; A17-E20 VanDerWaalsContact O-N 3.1Å; A18-E20 PolarHBondContact O-N 2.87Å
21G97.5Very high97.4Very high65 Ų6544.3 Ų44.367%0.6723%0.227SC*.THydrogen-bonded Turntrans92.7917600000115.4A17 A18A17-G21 PolarHBondContact O-N 3.17Å; A18-G21 PolarHBondContact O-N 3.34Å
22A98.4Very high97.4Very high31 Ų3146.3 Ų46.326%0.25624%0.24SC..  trans-73.7140.5178.300000112.5A17 I24A17-A22 HydrophobicContact CB-CB 4.15Å; A17-A22 VanDerWaalsContact O-CB 3.32Å; A17-A22 WeakPolarHBondContact O-CB 3.49Å; A17-A22 PolarHBondContact O-N 3.25Å; A17-A22 VanDerWaalsContact O-N 3.1Å; A22-I24 HydrophobicContact CB-CD1 3.86Å
23N98.8Very high97.4Very high79 Ų7950.1 Ų50.142%0.42226%0.256SS..  trans-76.3128.3163.7-63.8-35.9000109.4N47 F72N23-N47 VanDerWaalsContact OD1-CB 3.29Å; N23-N47 WeakPolarHBondContact OD1-CB 3.26Å; N23-N47 PolarHBondContact OD1-ND2 2.91Å; N23-F72 HydrophobicContact CB-CD1 3.69Å; N23-F72 HydrophobicContact CB-CD2 4.07Å; N23-F72 HydrophobicContact CB-CE1 3.79Å; N23-F72 HydrophobicContact CB-CE2 4.15Å; N23-F72 HydrophobicContact CB-CG 3.83Å; N23-F72 HydrophobicContact CB-CZ 4.01Å
24I98.8Very high97.4Very high6 Ų650.2 Ų50.23%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-108.1135.2-169.7-54.8-56.8000111.8I2 A14 A17 A18 A22 I26 I41 N47 A48 I49 F72I2-I24 HydrophobicContact CD1-CG2 4.42Å; A14-I24 HydrophobicContact CB-CG2 4.06Å; A17-I24 HydrophobicContact CB-CD1 3.72Å; A18-I24 HydrophobicContact CB-CG1 3.93Å; A22-I24 HydrophobicContact CB-CD1 3.86Å; I24-I26 HydrophobicContact CG2-CD1 3.68Å; I24-I26 HydrophobicContact CG2-CG1 4.06Å; I24-I41 HydrophobicContact CB-CD1 4.09Å; I24-I41 HydrophobicContact CG1-CD1 4.11Å; I24-I41 HydrophobicContact CG1-CG2 4.48Å; I24-I41 HydrophobicContact CG2-CD1 3.85Å; I24-N47 PolarHBondContact N-O 3.25Å; I24-A48 HydrophobicContact CB-CB 4.05Å; I24-A48 CarbonylContact O-C 3.6Å; I24-A48 WeakPolarHBondContact O-CA 3.35Å; I24-I49 PolarHBondContact O-N 2.76Å; I24-F72 WeakPolarHBondContact O-CE2 3.38Å
25V98.8Very high97.4Very high5 Ų555.7 Ų55.73%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-117.2115.2166.6-179.90000107.1M1 I2 I49 L51 A68 F72M1-V25 HydrophobicContact CE-CB 4.47Å; M1-V25 HydrophobicContact CE-CG1 4.13Å; I2-V25 PolarHBondContact N-O 3.18Å; V25-I49 HydrophobicContact CB-CG1 4.25Å; V25-I49 HydrophobicContact CG1-CD1 4.22Å; V25-I49 HydrophobicContact CG1-CG1 4.05Å; V25-I49 HydrophobicContact CG2-CD1 4.02Å; V25-I49 HydrophobicContact CG2-CG1 3.92Å; V25-L51 HydrophobicContact CG1-CD1 3.61Å; V25-L51 HydrophobicContact CG1-CG 4.07Å; V25-A68 HydrophobicContact CB-CB 4.45Å; V25-A68 HydrophobicContact CG1-CB 4.31Å; V25-A68 HydrophobicContact CG2-CB 3.71Å; V25-F72 HydrophobicContact CG2-CD2 3.7Å; V25-F72 HydrophobicContact CG2-CE2 3.61Å
26I98.6Very high97.5Very high1 Ų159.1 Ų59.11%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-92.2112.9173-55.3-67.8000107.8A14 I24 D28 T37 I41 I49 A50 L51A14-I26 HydrophobicContact CB-CD1 3.48Å; A14-I26 VanDerWaalsContact CB-CD1 3.48Å; I24-I26 HydrophobicContact CG2-CD1 3.68Å; I24-I26 HydrophobicContact CG2-CG1 4.06Å; I26-D28 HydrophobicContact CG2-CB 4.45Å; I26-T37 HydrophobicContact CD1-CG2 3.71Å; I26-T37 HydrophobicContact CG1-CG2 4.23Å; I26-I41 HydrophobicContact CD1-CD1 4.4Å; I26-I49 PolarHBondContact N-O 2.96Å; I26-A50 HydrophobicContact CB-CB 4.38Å; I26-A50 CarbonylContact O-C 3.56Å; I26-A50 WeakPolarHBondContact O-CA 3.3Å; I26-L51 PolarHBondContact O-N 2.85Å
27A97.9Very high97.5Very high1 Ų153.6 Ų53.61%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-107.6111.4173.700000109.2I2 T3 G4 I53 M64I2-A27 PolarHBondContact O-N 2.88Å; T3-A27 CarbonylContact C-O 3.51Å; T3-A27 WeakPolarHBondContact CA-O 3.37Å; T3-A27 HydrophobicContact CG2-CB 4.28Å; G4-A27 PolarHBondContact N-O 3.09Å; A27-I53 HydrophobicContact CB-CB 4.01Å; A27-I53 HydrophobicContact CB-CG1 3.85Å; A27-I53 HydrophobicContact CB-CG2 4.26Å; A27-M64 HydrophobicContact CB-CB 4.4Å; A27-M64 HydrophobicContact CB-SD 4Å
28D96.6Very high97.5Very high11 Ų1153.2 Ų53.26%0.05927%0.273CS..  trans-158.9139-176-153.3-63.7000111.5G4 G5 A6 I26 L30 L51 I53G4-D28 WeakPolarHBondContact CA-OD2 3.12Å; G5-D28 PolarHBondContact N-OD2 2.89Å; A6-D28 HydrophobicContact CB-CB 3.68Å; A6-D28 WeakPolarHBondContact CB-OD2 3.45Å; A6-D28 PolarHBondContact N-OD2 2.89Å; I26-D28 HydrophobicContact CG2-CB 4.45Å; D28-L30 PolarHBondContact O-N 3.03Å; D28-L30 VanDerWaalsContact OD1-CB 3.3Å; D28-L30 WeakPolarHBondContact OD1-CB 3.3Å; D28-L30 WeakPolarHBondContact OD1-CG 3.04Å; D28-L30 PolarHBondContact OD1-N 2.88Å; D28-L51 PolarHBondContact N-O 3.43Å; D28-L51 VanDerWaalsContact N-O 3.11Å; D28-I53 CarbonylContact C-O 3.59Å; D28-I53 VanDerWaalsContact C-O 3.31Å; D28-I53 PolarHBondContact O-N 3Å
29W93.4Very high97.5Very high150 Ų15056.2 Ų56.257%0.56829%0.293SS*.SBendtrans-69.8-17.9173.472.3-40.8000113.2A31 I53 H84W29-A31 PolarHBondContact O-N 2.82Å; W29-I53 PolarHBondContact N-O 3.39Å; W29-H84 AromaticContact CZ2-CE1 3.86Å; W29-H84 AromaticContact NE1-CE1 3.76Å
30L94.2Very high97.6Very high54 Ų5453.4 Ų53.428%0.28328%0.282SS..  trans-79.963170.1-59176.6000109.9A6 D28 Q32 K33 G34A6-L30 HydrophobicContact CB-CB 4.06Å; D28-L30 PolarHBondContact O-N 3.03Å; D28-L30 VanDerWaalsContact OD1-CB 3.3Å; D28-L30 WeakPolarHBondContact OD1-CB 3.3Å; D28-L30 WeakPolarHBondContact OD1-CG 3.04Å; D28-L30 PolarHBondContact OD1-N 2.88Å; L30-Q32 PolarHBondContact O-N 2.96Å; L30-K33 HydrophobicContact CB-CB 4.21Å; L30-K33 HydrophobicContact CD1-CD 4.38Å; L30-K33 PolarHBondContact O-N 2.69Å; L30-G34 PolarHBondContact O-N 3.24Å
31A95.5Very high97.7Very high27 Ų2747.5 Ų47.522%0.22326%0.255CS..Hα-helixtrans-48.3-42.3-167.900000114.1W29 G34 K35 D52W29-A31 PolarHBondContact O-N 2.82Å; A31-G34 PolarHBondContact O-N 3.12Å; A31-K35 WeakPolarHBondContact O-CG 3.02Å; A31-K35 PolarHBondContact O-N 3.2Å; A31-D52 HydrophobicContact CB-CB 3.99Å
32Q97.8Very high97.7Very high119 Ų11949 Ų4956%0.55625%0.246SC*.Hα-helixtrans-66.9-45.7179.8-175.15534.400112.5L30 G34 K35 E36L30-Q32 PolarHBondContact O-N 2.96Å; Q32-G34 VanDerWaalsContact C-N 3.3Å; Q32-G34 PolarHBondContact O-N 2.77Å; Q32-K35 WeakPolarHBondContact O-CB 3.1Å; Q32-K35 PolarHBondContact O-N 3.34Å; Q32-E36 PolarHBondContact NE2-OE1 3.11Å; Q32-E36 WeakPolarHBondContact O-CG 3.23Å; Q32-E36 PolarHBondContact O-N 3.44Å
33K97Very high97.7Very high83 Ų8351.6 Ų51.636%0.36127%0.268SS..Hα-helixtrans-66.9-32.5175.8-71.5-167.6173.7-166.60112.3A6 L30 E36 T37A6-K33 HydrophobicContact CB-CB 3.8Å; L30-K33 HydrophobicContact CB-CB 4.21Å; L30-K33 HydrophobicContact CD1-CD 4.38Å; L30-K33 PolarHBondContact O-N 2.69Å; K33-E36 PolarHBondContact O-N 2.95Å; K33-T37 PolarHBondContact O-N 3.15Å; K33-T37 PolarHBondContact O-OG1 2.92Å; K33-T37 VanDerWaalsContact O-OG1 3.08Å
34G97.9Very high97.6Very high3 Ų352.2 Ų52.23%0.03127%0.27CS..Hα-helixtrans-61.8-45.8172.200000111.8L30 A31 Q32 T37 A38L30-G34 PolarHBondContact O-N 3.24Å; A31-G34 PolarHBondContact O-N 3.12Å; Q32-G34 VanDerWaalsContact C-N 3.3Å; Q32-G34 PolarHBondContact O-N 2.77Å; G34-T37 PolarHBondContact O-N 3.41Å; G34-A38 PolarHBondContact O-N 3.02Å
35K98.5Very high97.6Very high115 Ų11555.2 Ų55.250%0.530%0.303SS..Hα-helixtrans-63.2-39.6175-72.2172.6-176.7177.30112.4A31 Q32 A38 S39 A50A31-K35 WeakPolarHBondContact O-CG 3.02Å; A31-K35 PolarHBondContact O-N 3.2Å; Q32-K35 WeakPolarHBondContact O-CB 3.1Å; Q32-K35 PolarHBondContact O-N 3.34Å; K35-A38 PolarHBondContact O-N 2.9Å; K35-S39 WeakPolarHBondContact O-CB 3.47Å; K35-S39 PolarHBondContact O-N 3.23Å; K35-S39 PolarHBondContact O-OG 3.11Å; K35-A50 HydrophobicContact CG-CB 4.01Å
36E98.5Very high97.6Very high89 Ų8955.7 Ų55.742%0.41631%0.308SS..Hα-helixtrans-60.1-48.1174.4-72.7161.6-165.200111Q32 K33 A38 S39 E40Q32-E36 PolarHBondContact NE2-OE1 3.11Å; Q32-E36 WeakPolarHBondContact O-CG 3.23Å; Q32-E36 PolarHBondContact O-N 3.44Å; K33-E36 PolarHBondContact O-N 2.95Å; E36-A38 PolarHBondContact O-N 2.84Å; E36-S39 WeakPolarHBondContact O-CB 3.43Å; E36-S39 PolarHBondContact O-N 3.23Å; E36-S39 VanDerWaalsContact O-N 3.14Å; E36-E40 WeakPolarHBondContact O-CG 3.34Å; E36-E40 PolarHBondContact O-N 3.31Å
37T98.4Very high97.6Very high1 Ų160 Ų601%0.00633%0.332CS..Hα-helixtrans-59.7-44.7176.3-600000112A6 R11 A14 I26 K33 G34 S39 E40 I41A6-T37 PolarHBondContact O-OG1 2.98Å; R11-T37 HydrophobicContact CB-CG2 4.4Å; R11-T37 WeakPolarHBondContact CD-OG1 3.43Å; R11-T37 HydrophobicContact CG-CG2 3.78Å; A14-T37 HydrophobicContact CB-CG2 4.32Å; I26-T37 HydrophobicContact CD1-CG2 3.71Å; I26-T37 HydrophobicContact CG1-CG2 4.23Å; K33-T37 PolarHBondContact O-N 3.15Å; K33-T37 PolarHBondContact O-OG1 2.92Å; K33-T37 VanDerWaalsContact O-OG1 3.08Å; G34-T37 PolarHBondContact O-N 3.41Å; T37-S39 VanDerWaalsContact C-N 3.33Å; T37-S39 PolarHBondContact O-N 3.38Å; T37-E40 PolarHBondContact O-N 2.92Å; T37-I41 HydrophobicContact CG2-CD1 4.17Å; T37-I41 WeakPolarHBondContact O-CG1 3.26Å; T37-I41 PolarHBondContact O-N 2.87Å; T37-I41 VanDerWaalsContact O-N 3.09Å
38A98.7Very high97.6Very high6 Ų660.7 Ų60.75%0.0534%0.337CS..Hα-helixtrans-62.9-40175.900000112.1G34 K35 E36 E40 I41 I42 A48 A50G34-A38 PolarHBondContact O-N 3.02Å; K35-A38 PolarHBondContact O-N 2.9Å; E36-A38 PolarHBondContact O-N 2.84Å; A38-E40 VanDerWaalsContact C-N 3.35Å; A38-E40 PolarHBondContact O-N 2.89Å; A38-I41 PolarHBondContact O-N 3.02Å; A38-I42 WeakPolarHBondContact O-CD1 3.46Å; A38-I42 VanDerWaalsContact O-CG1 3.28Å; A38-I42 WeakPolarHBondContact O-CG1 3.48Å; A38-I42 PolarHBondContact O-N 2.9Å; A38-A48 HydrophobicContact CB-CB 3.86Å; A38-A50 HydrophobicContact CB-CB 4Å
39S98.6Very high97.7Very high71 Ų7162.3 Ų62.350%0.49735%0.345SS..Hα-helixtrans-64.4-39.7178.2-57.60000111.7K35 E36 T37 I42 A43K35-S39 WeakPolarHBondContact O-CB 3.47Å; K35-S39 PolarHBondContact O-N 3.23Å; K35-S39 PolarHBondContact O-OG 3.11Å; E36-S39 WeakPolarHBondContact O-CB 3.43Å; E36-S39 PolarHBondContact O-N 3.23Å; E36-S39 VanDerWaalsContact O-N 3.14Å; T37-S39 VanDerWaalsContact C-N 3.33Å; T37-S39 PolarHBondContact O-N 3.38Å; S39-I42 PolarHBondContact O-N 3.33Å; S39-A43 WeakPolarHBondContact O-CB 3.46Å; S39-A43 PolarHBondContact O-N 2.97Å
40E98.4Very high98Very high80 Ų8056.7 Ų56.737%0.37433%0.331SS..Hα-helixtrans-63.8-41.1173.6-73.5-179.2-140.900112.6R11 E36 T37 A38 I42 A43 I44R11-E40 IonicContact CZ-OE1 3.25Å; R11-E40 IonicContact CZ-OE2 2.77Å; R11-E40 IonicContact NE-OE1 3.77Å; R11-E40 IonicContact NH2-OE1 3.39Å; R11-E40 PolarHBondContact NH2-OE1 3.38Å; R11-E40 IonicContact NH2-OE2 3.8Å; R11-E40 PolarHBondContact NH2-OE2 2.7Å; E36-E40 WeakPolarHBondContact O-CG 3.34Å; E36-E40 PolarHBondContact O-N 3.31Å; T37-E40 PolarHBondContact O-N 2.92Å; A38-E40 VanDerWaalsContact C-N 3.35Å; A38-E40 PolarHBondContact O-N 2.89Å; E40-I42 VanDerWaalsContact C-N 3.33Å; E40-A43 PolarHBondContact O-N 2.73Å; E40-I44 PolarHBondContact O-N 3.23Å
41I98.7Very high98.2Very high0 Ų054.7 Ų54.70%032%0.32CS..Hα-helixtrans-61.5-44.3175.2-71.5162.1000110.6A14 I15 A18 I24 I26 T37 A38 A43 I44 G45 G46 A48A14-I41 HydrophobicContact CB-CD1 4Å; I15-I41 HydrophobicContact CG1-CG1 4.18Å; A18-I41 HydrophobicContact CB-CB 4.37Å; A18-I41 HydrophobicContact CB-CG1 4.1Å; A18-I41 HydrophobicContact CB-CG2 3.49Å; A18-I41 VanDerWaalsContact CB-CG2 3.49Å; I24-I41 HydrophobicContact CB-CD1 4.09Å; I24-I41 HydrophobicContact CG1-CD1 4.11Å; I24-I41 HydrophobicContact CG1-CG2 4.48Å; I24-I41 HydrophobicContact CG2-CD1 3.85Å; I26-I41 HydrophobicContact CD1-CD1 4.4Å; T37-I41 HydrophobicContact CG2-CD1 4.17Å; T37-I41 WeakPolarHBondContact O-CG1 3.26Å; T37-I41 PolarHBondContact O-N 2.87Å; T37-I41 VanDerWaalsContact O-N 3.09Å; A38-I41 PolarHBondContact O-N 3.02Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.36Å; I41-I44 WeakPolarHBondContact O-CG1 3.12Å; I41-I44 PolarHBondContact O-N 2.91Å; I41-G45 PolarHBondContact O-N 3.32Å; I41-G46 WeakPolarHBondContact O-CA 3.29Å; I41-G46 PolarHBondContact O-N 3.47Å; I41-A48 HydrophobicContact CB-CB 3.87Å; I41-A48 HydrophobicContact CD1-CB 4.08Å; I41-A48 HydrophobicContact CG2-CB 3.67Å
42I98.7Very high98.3Very high97 Ų9758.1 Ų58.150%0.49734%0.335SS..Hα-helixtrans-63.7-40.2176.8-66.4162.2000110.7A38 S39 E40 I44 G45 G46A38-I42 WeakPolarHBondContact O-CD1 3.46Å; A38-I42 VanDerWaalsContact O-CG1 3.28Å; A38-I42 WeakPolarHBondContact O-CG1 3.48Å; A38-I42 PolarHBondContact O-N 2.9Å; S39-I42 PolarHBondContact O-N 3.33Å; E40-I42 VanDerWaalsContact C-N 3.33Å; I42-I44 PolarHBondContact O-N 3.44Å; I42-G45 PolarHBondContact O-N 2.78Å; I42-G46 WeakPolarHBondContact CA-O 3.42Å
43A98.3Very high98.2Very high86 Ų8652.6 Ų52.671%0.71131%0.309SS*.Hα-helixtrans-63.5-26.6179.500000113.5S39 E40 I41 G45S39-A43 WeakPolarHBondContact O-CB 3.46Å; S39-A43 PolarHBondContact O-N 2.97Å; E40-A43 PolarHBondContact O-N 2.73Å; I41-A43 VanDerWaalsContact C-N 3.32Å; I41-A43 PolarHBondContact O-N 3.36Å; A43-G45 VanDerWaalsContact C-N 3.34Å
44I97.3Very high98Very high91 Ų9150.5 Ų50.547%0.46730%0.302SS..THydrogen-bonded Turntrans-91.58.7173.566.5169.1000113.4I15 K19 E40 I41 I42I15-I44 HydrophobicContact CG2-CD1 4.33Å; K19-I44 HydrophobicContact CD-CD1 4.5Å; K19-I44 HydrophobicContact CG-CD1 3.76Å; E40-I44 PolarHBondContact O-N 3.23Å; I41-I44 WeakPolarHBondContact O-CG1 3.12Å; I41-I44 PolarHBondContact O-N 2.91Å; I42-I44 PolarHBondContact O-N 3.44Å
45G98.1Very high97.6Very high70 Ų7050.9 Ų50.972%0.72230%0.303SS*.THydrogen-bonded Turntrans87.88.5177.400000115.4I41 I42 A43I41-G45 PolarHBondContact O-N 3.32Å; I42-G45 PolarHBondContact O-N 2.78Å; A43-G45 VanDerWaalsContact C-N 3.34Å
46G98.4Very high97.1Very high14 Ų1448.7 Ų48.714%0.14430%0.303CS..  trans-83.5172.4173.600000113I41 I42I41-G46 WeakPolarHBondContact O-CA 3.29Å; I41-G46 PolarHBondContact O-N 3.47Å; I42-G46 WeakPolarHBondContact CA-O 3.42Å
47N98.5Very high96.7Very high93 Ų9349.4 Ų49.450%0.49730%0.304SS..  trans-108.5126.8173.8-61.6-54.2000109.9N23 I24 F72N23-N47 VanDerWaalsContact OD1-CB 3.29Å; N23-N47 WeakPolarHBondContact OD1-CB 3.26Å; N23-N47 PolarHBondContact OD1-ND2 2.91Å; I24-N47 PolarHBondContact N-O 3.25Å; N47-F72 HydrophobicContact CB-CE1 4.23Å
48A98.8Very high96.3Very high14 Ų1452.4 Ų52.412%0.11632%0.323CS..EExtended strand (participates in β ladder)trans-145.7147177.800000113.2I24 A38 I41I24-A48 HydrophobicContact CB-CB 4.05Å; I24-A48 CarbonylContact O-C 3.6Å; I24-A48 WeakPolarHBondContact O-CA 3.35Å; A38-A48 HydrophobicContact CB-CB 3.86Å; I41-A48 HydrophobicContact CB-CB 3.87Å; I41-A48 HydrophobicContact CD1-CB 4.08Å; I41-A48 HydrophobicContact CG2-CB 3.67Å
49I98.7Very high96.2Very high46 Ų4658.5 Ų58.524%0.23635%0.35CS..EExtended strand (participates in β ladder)trans-121.9151.5162.668.3176.1000109.8I24 V25 I26 L51 A71 F72I24-I49 PolarHBondContact O-N 2.76Å; V25-I49 HydrophobicContact CB-CG1 4.25Å; V25-I49 HydrophobicContact CG1-CD1 4.22Å; V25-I49 HydrophobicContact CG1-CG1 4.05Å; V25-I49 HydrophobicContact CG2-CD1 4.02Å; V25-I49 HydrophobicContact CG2-CG1 3.92Å; I26-I49 PolarHBondContact N-O 2.96Å; I49-L51 HydrophobicContact CD1-CD2 4.05Å; I49-L51 HydrophobicContact CD1-CG 4.35Å; I49-L51 HydrophobicContact CG1-CD2 4.49Å; I49-A71 HydrophobicContact CD1-CB 3.66Å; I49-A71 HydrophobicContact CG2-CB 4.43Å; I49-F72 HydrophobicContact CD1-CE2 4.36Å; I49-F72 HydrophobicContact CG1-CE2 4.13Å; I49-F72 HydrophobicContact CG2-CE2 4.44Å; I49-F72 HydrophobicContact CG2-CZ 4.16Å
50A98.7Very high96.1Very high31 Ų3156.4 Ų56.426%0.25633%0.334SS..EExtended strand (participates in β ladder)trans-116.9130.3172.800000110.1I26 K35 A38I26-A50 HydrophobicContact CB-CB 4.38Å; I26-A50 CarbonylContact O-C 3.56Å; I26-A50 WeakPolarHBondContact O-CA 3.3Å; K35-A50 HydrophobicContact CG-CB 4.01Å; A38-A50 HydrophobicContact CB-CB 4Å
51L98.5Very high95.9Very high12 Ų1252.6 Ų52.66%0.06332%0.316CS..EExtended strand (participates in β ladder)trans-117127.9-178.8-55.1-178.1000109V25 I26 D28 I49 I53 M64 E67V25-L51 HydrophobicContact CG1-CD1 3.61Å; V25-L51 HydrophobicContact CG1-CG 4.07Å; I26-L51 PolarHBondContact O-N 2.85Å; D28-L51 PolarHBondContact N-O 3.43Å; D28-L51 VanDerWaalsContact N-O 3.11Å; I49-L51 HydrophobicContact CD1-CD2 4.05Å; I49-L51 HydrophobicContact CD1-CG 4.35Å; I49-L51 HydrophobicContact CG1-CD2 4.49Å; L51-I53 HydrophobicContact CB-CD1 3.91Å; L51-I53 HydrophobicContact CB-CG1 3.49Å; L51-I53 VanDerWaalsContact CB-CG1 3.49Å; L51-I53 HydrophobicContact CD1-CD1 4.5Å; L51-I53 HydrophobicContact CD1-CG1 4.46Å; L51-I53 PolarHBondContact O-N 3.48Å; L51-I53 VanDerWaalsContact O-N 3.15Å; L51-M64 HydrophobicContact CD1-CB 4.18Å; L51-E67 HydrophobicContact CD1-CB 3.78Å; L51-E67 HydrophobicContact CD2-CB 4.04Å; L51-E67 VanDerWaalsContact CD2-OE2 3.22Å; L51-E67 WeakPolarHBondContact CD2-OE2 3.35Å
52D97.5Very high95.8Very high99 Ų9956.9 Ų56.953%0.52934%0.336SS..  trans-74.397.4169.1-175.25.8000108.3A31 R63A31-D52 HydrophobicContact CB-CB 3.99Å; D52-R63 PolarHBondContact O-NH2 3.48Å
53I96.1Very high95.8Very high3 Ų356.4 Ų56.42%0.01533%0.328CS..  trans-129.8126.8-171-60.9-59.4000109.2A27 D28 W29 L51 V55 D60 R63 M64A27-I53 HydrophobicContact CB-CB 4.01Å; A27-I53 HydrophobicContact CB-CG1 3.85Å; A27-I53 HydrophobicContact CB-CG2 4.26Å; D28-I53 CarbonylContact C-O 3.59Å; D28-I53 VanDerWaalsContact C-O 3.31Å; D28-I53 PolarHBondContact O-N 3Å; W29-I53 PolarHBondContact N-O 3.39Å; L51-I53 HydrophobicContact CB-CD1 3.91Å; L51-I53 HydrophobicContact CB-CG1 3.49Å; L51-I53 VanDerWaalsContact CB-CG1 3.49Å; L51-I53 HydrophobicContact CD1-CD1 4.5Å; L51-I53 HydrophobicContact CD1-CG1 4.46Å; L51-I53 PolarHBondContact O-N 3.48Å; L51-I53 VanDerWaalsContact O-N 3.15Å; I53-V55 HydrophobicContact CG2-CG1 3.56Å; I53-D60 HydrophobicContact CG2-CB 4.07Å; I53-R63 VanDerWaalsContact CD1-CZ 3.44Å; I53-M64 HydrophobicContact CD1-CB 3.73Å; I53-M64 HydrophobicContact CG1-CB 3.8Å; I53-M64 HydrophobicContact CG2-CB 4.23Å; I53-M64 HydrophobicContact CG2-SD 4.37Å
54D93.1Very high95.7Very high39 Ų3952.3 Ų52.321%0.20929%0.294CS..  trans-10593.6165.3177.13.8000109.8S56 K57 D60D54-S56 VanDerWaalsContact CG-OG 3.24Å; D54-S56 PolarHBondContact O-N 3.37Å; D54-S56 VanDerWaalsContact OD1-CB 3.28Å; D54-S56 WeakPolarHBondContact OD1-CB 3.42Å; D54-S56 PolarHBondContact OD1-N 3.41Å; D54-S56 VanDerWaalsContact OD1-N 3.13Å; D54-S56 PolarHBondContact OD1-OG 3.1Å; D54-S56 PolarHBondContact OD2-OG 2.96Å; D54-K57 HydrophobicContact CB-CD 4.24Å; D54-K57 WeakPolarHBondContact O-CB 3.32Å; D54-K57 PolarHBondContact O-N 2.77Å; D54-K57 WeakPolarHBondContact OD2-CE 3.46Å; D54-K57 IonicContact OD2-NZ 3.61Å; D54-K57 PolarHBondContact OD2-NZ 3.06Å; D54-D60 PolarHBondContact N-OD2 2.93Å; D54-D60 WeakPolarHBondContact O-CB 3.43Å
55V89.5Confident95.8Very high11 Ų1148.4 Ų48.47%0.06727%0.274CS..THydrogen-bonded Turntrans-65.5-5.4-177.5-68.90000114.4T3 I53 K57 M64 A82 P91 S94 S95T3-V55 HydrophobicContact CG2-CG1 3.88Å; I53-V55 HydrophobicContact CG2-CG1 3.56Å; V55-K57 PolarHBondContact O-N 3.1Å; V55-M64 HydrophobicContact CG1-SD 4.13Å; V55-A82 HydrophobicContact CG2-CB 3.43Å; V55-A82 VanDerWaalsContact CG2-CB 3.43Å; V55-P91 HydrophobicContact CB-CB 4.41Å; V55-P91 HydrophobicContact CG2-CB 3.66Å; V55-P91 HydrophobicContact CG2-CG 4.43Å; V55-S94 WeakPolarHBondContact O-CB 3.28Å; V55-S95 WeakPolarHBondContact CG1-OG 3.36Å
56S87.8Confident95.8Very high69 Ų6949.7 Ų49.748%0.48326%0.261SS..THydrogen-bonded Turntrans-68-18.9166.676.20000112.2D54D54-S56 VanDerWaalsContact CG-OG 3.24Å; D54-S56 PolarHBondContact O-N 3.37Å; D54-S56 VanDerWaalsContact OD1-CB 3.28Å; D54-S56 WeakPolarHBondContact OD1-CB 3.42Å; D54-S56 PolarHBondContact OD1-N 3.41Å; D54-S56 VanDerWaalsContact OD1-N 3.13Å; D54-S56 PolarHBondContact OD1-OG 3.1Å; D54-S56 PolarHBondContact OD2-OG 2.96Å
57K90.7Very high95.8Very high104 Ų10452.3 Ų52.345%0.45227%0.27SS..SBendtrans-98.6129.6175.3-57.7170-172.8141.20109.9D54 V55 E59 D60 A61D54-K57 HydrophobicContact CB-CD 4.24Å; D54-K57 WeakPolarHBondContact O-CB 3.32Å; D54-K57 PolarHBondContact O-N 2.77Å; D54-K57 WeakPolarHBondContact OD2-CE 3.46Å; D54-K57 IonicContact OD2-NZ 3.61Å; D54-K57 PolarHBondContact OD2-NZ 3.06Å; V55-K57 PolarHBondContact O-N 3.1Å; K57-E59 VanDerWaalsContact C-N 3.29Å; K57-E59 PolarHBondContact O-N 2.83Å; K57-D60 HydrophobicContact CB-CB 4.19Å; K57-D60 PolarHBondContact O-N 3.25Å; K57-A61 PolarHBondContact O-N 3.37Å
58T90.3Very high95.8Very high64 Ų6448 Ų4839%0.39325%0.247SC..Hα-helixtrans-66.2-35.2-177.1-62.70000111.5D60 A61 E62T58-D60 VanDerWaalsContact C-N 3.32Å; T58-D60 PolarHBondContact O-N 2.98Å; T58-A61 PolarHBondContact O-N 3.27Å; T58-E62 PolarHBondContact O-N 2.75Å
59E95.5Very high95.8Very high135 Ų13548.7 Ų48.763%0.63125%0.25SS*.Hα-helixtrans-64.2-38.4179.6-59.573.2-159.800111.5K57 E62 R63K57-E59 VanDerWaalsContact C-N 3.29Å; K57-E59 PolarHBondContact O-N 2.83Å; E59-E62 PolarHBondContact O-N 2.82Å; E59-R63 WeakPolarHBondContact O-CB 3.28Å; E59-R63 PolarHBondContact O-N 3.35Å
60D96.2Very high95.8Very high27 Ų2752.2 Ų52.214%0.14427%0.269CS..Hα-helixtrans-69.9-35.9176.4-90.7-3.8000111.7I53 D54 K57 T58 R63 M64I53-D60 HydrophobicContact CG2-CB 4.07Å; D54-D60 PolarHBondContact N-OD2 2.93Å; D54-D60 WeakPolarHBondContact O-CB 3.43Å; K57-D60 HydrophobicContact CB-CB 4.19Å; K57-D60 PolarHBondContact O-N 3.25Å; T58-D60 VanDerWaalsContact C-N 3.32Å; T58-D60 PolarHBondContact O-N 2.98Å; D60-R63 PolarHBondContact O-N 3.43Å; D60-R63 IonicContact OD1-CZ 2.83Å; D60-R63 IonicContact OD1-NE 3.46Å; D60-R63 PolarHBondContact OD1-NE 3.25Å; D60-R63 IonicContact OD1-NH2 3.09Å; D60-R63 PolarHBondContact OD1-NH2 3.49Å; D60-R63 IonicContact OD2-NH2 2.75Å; D60-M64 PolarHBondContact O-N 2.84Å
61A94.9Very high95.8Very high0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-65.2-37.2172.700000112.4K57 T58 M64 A98K57-A61 PolarHBondContact O-N 3.37Å; T58-A61 PolarHBondContact O-N 3.27Å; A61-M64 WeakPolarHBondContact O-CG 3.43Å; A61-A98 HydrophobicContact CB-CB 4.23Å; A61-A98 VanDerWaalsContact O-CB 3.28Å; A61-A98 WeakPolarHBondContact O-CB 3.39Å
62E96.7Very high95.8Very high90 Ų9055.2 Ų55.242%0.42129%0.285SS..Hα-helixtrans-72.2-38.9174.1-66.6-169.7158.700111.7T58 E59 V65 Q66 A98 K101T58-E62 PolarHBondContact O-N 2.75Å; E59-E62 PolarHBondContact O-N 2.82Å; E62-V65 PolarHBondContact O-N 3.15Å; E62-Q66 PolarHBondContact O-N 3.38Å; E62-A98 HydrophobicContact CG-CB 4.42Å; E62-K101 IonicContact OE1-NZ 2.77Å; E62-K101 PolarHBondContact OE1-NZ 3.48Å
63R97.9Very high95.8Very high86 Ų8653.1 Ų53.133%0.32529%0.287SS..Hα-helixtrans-63.1-43176.6-176.617160.286-4.9112.4D52 I53 E59 D60 V65 Q66 E67D52-R63 PolarHBondContact O-NH2 3.48Å; I53-R63 VanDerWaalsContact CD1-CZ 3.44Å; E59-R63 WeakPolarHBondContact O-CB 3.28Å; E59-R63 PolarHBondContact O-N 3.35Å; D60-R63 PolarHBondContact O-N 3.43Å; D60-R63 IonicContact OD1-CZ 2.83Å; D60-R63 IonicContact OD1-NE 3.46Å; D60-R63 PolarHBondContact OD1-NE 3.25Å; D60-R63 IonicContact OD1-NH2 3.09Å; D60-R63 PolarHBondContact OD1-NH2 3.49Å; D60-R63 IonicContact OD2-NH2 2.75Å; R63-V65 PolarHBondContact O-N 3.08Å; R63-Q66 PolarHBondContact O-N 2.64Å; R63-Q66 VanDerWaalsContact O-N 3.16Å; R63-E67 HydrophobicContact CG-CG 4.25Å; R63-E67 WeakPolarHBondContact CG-OE1 3.48Å; R63-E67 IonicContact NH1-OE1 2.87Å; R63-E67 PolarHBondContact NH1-OE1 2.84Å; R63-E67 VanDerWaalsContact NH1-OE1 3.09Å; R63-E67 PolarHBondContact O-N 3.02Å
64M97.6Very high95.9Very high0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-59.2-40.2179.887.8-178.4170.800111.4M1 T3 A27 L51 I53 V55 D60 A61 A68 E99M1-M64 HydrophobicContact CE-CB 4.48Å; M1-M64 HydrophobicContact CE-CG 3.95Å; M1-M64 VanDerWaalsContact CE-O 3.23Å; M1-M64 WeakPolarHBondContact CE-O 3.12Å; M1-M64 HydrophobicContact SD-CE 3.67Å; M1-M64 HydrophobicContact SD-CG 3.68Å; M1-M64 HydrophobicContact SD-SD 3.79Å; T3-M64 HydrophobicContact CG2-CE 3.95Å; T3-M64 HydrophobicContact CG2-SD 3.67Å; A27-M64 HydrophobicContact CB-CB 4.4Å; A27-M64 HydrophobicContact CB-SD 4Å; L51-M64 HydrophobicContact CD1-CB 4.18Å; I53-M64 HydrophobicContact CD1-CB 3.73Å; I53-M64 HydrophobicContact CG1-CB 3.8Å; I53-M64 HydrophobicContact CG2-CB 4.23Å; I53-M64 HydrophobicContact CG2-SD 4.37Å; V55-M64 HydrophobicContact CG1-SD 4.13Å; D60-M64 PolarHBondContact O-N 2.84Å; A61-M64 WeakPolarHBondContact O-CG 3.43Å; M64-A68 WeakPolarHBondContact O-CB 3.32Å; M64-A68 PolarHBondContact O-N 2.94Å; M64-E99 HydrophobicContact CE-CG 4.21Å
65V98.3Very high96.1Very high10 Ų1055 Ų556%0.06129%0.292CS..Hα-helixtrans-65.8-45.8177.7168.40000110.6M1 E62 R63 E67 A68 V69 I75 A98 E99 Q102M1-V65 HydrophobicContact CE-CG2 4.46Å; M1-V65 HydrophobicContact SD-CG2 4.26Å; E62-V65 PolarHBondContact O-N 3.15Å; R63-V65 PolarHBondContact O-N 3.08Å; V65-E67 PolarHBondContact O-N 2.84Å; V65-A68 PolarHBondContact O-N 2.88Å; V65-V69 VanDerWaalsContact O-CG2 3.31Å; V65-V69 WeakPolarHBondContact O-CG2 3.34Å; V65-V69 PolarHBondContact O-N 3.36Å; V65-I75 HydrophobicContact CB-CD1 4.18Å; V65-I75 HydrophobicContact CG1-CD1 3.83Å; V65-I75 HydrophobicContact CG2-CD1 4.01Å; V65-A98 HydrophobicContact CG2-CB 3.76Å; V65-E99 HydrophobicContact CG2-CG 4.3Å; V65-Q102 HydrophobicContact CG1-CB 3.41Å; V65-Q102 VanDerWaalsContact CG1-CB 3.41Å; V65-Q102 HydrophobicContact CG1-CG 3.73Å
66Q98.3Very high96.5Very high96 Ų9657.1 Ų57.145%0.44930%0.302SS..Hα-helixtrans-62.2-44.8177.9-173.15962.500112.1E62 R63 V69 N70E62-Q66 PolarHBondContact O-N 3.38Å; R63-Q66 PolarHBondContact O-N 2.64Å; R63-Q66 VanDerWaalsContact O-N 3.16Å; Q66-V69 PolarHBondContact O-N 2.85Å; Q66-N70 PolarHBondContact NE2-OD1 2.78Å; Q66-N70 WeakPolarHBondContact O-CB 3.09Å; Q66-N70 PolarHBondContact O-N 3.06Å; Q66-N70 PolarHBondContact O-ND2 3.36Å; Q66-N70 PolarHBondContact O-OD1 3.29Å
67E98.5Very high97.1Very high70 Ų7058.3 Ų58.333%0.32730%0.297SS..Hα-helixtrans-67.4-36.4179.4-70.9-160.1-131.100112.4L51 R63 V65 N70 A71L51-E67 HydrophobicContact CD1-CB 3.78Å; L51-E67 HydrophobicContact CD2-CB 4.04Å; L51-E67 VanDerWaalsContact CD2-OE2 3.22Å; L51-E67 WeakPolarHBondContact CD2-OE2 3.35Å; R63-E67 HydrophobicContact CG-CG 4.25Å; R63-E67 WeakPolarHBondContact CG-OE1 3.48Å; R63-E67 IonicContact NH1-OE1 2.87Å; R63-E67 PolarHBondContact NH1-OE1 2.84Å; R63-E67 VanDerWaalsContact NH1-OE1 3.09Å; R63-E67 PolarHBondContact O-N 3.02Å; V65-E67 PolarHBondContact O-N 2.84Å; E67-N70 PolarHBondContact O-N 3.16Å; E67-A71 WeakPolarHBondContact O-CB 3.42Å; E67-A71 PolarHBondContact O-N 3.22Å
68A98.4Very high97.4Very high2 Ų253.4 Ų53.42%0.01728%0.276CS..Hα-helixtrans-62.7-44.5172.700000112.9M1 V25 M64 V65 N70 A71 F72 I75M1-A68 HydrophobicContact CE-CB 3.14Å; V25-A68 HydrophobicContact CB-CB 4.45Å; V25-A68 HydrophobicContact CG1-CB 4.31Å; V25-A68 HydrophobicContact CG2-CB 3.71Å; M64-A68 WeakPolarHBondContact O-CB 3.32Å; M64-A68 PolarHBondContact O-N 2.94Å; V65-A68 PolarHBondContact O-N 2.88Å; A68-N70 VanDerWaalsContact C-N 3.33Å; A68-A71 PolarHBondContact O-N 2.91Å; A68-F72 PolarHBondContact O-N 2.88Å; A68-I75 HydrophobicContact CB-CD1 4.15Å; A68-I75 HydrophobicContact CB-CG1 4.21Å
69V98.5Very high97.7Very high29 Ų2950.4 Ų50.418%0.17626%0.257CS..Hα-helixtrans-65.3-38.8176172.50000110.8V65 Q66 A71 G73 I75 Q102V65-V69 VanDerWaalsContact O-CG2 3.31Å; V65-V69 WeakPolarHBondContact O-CG2 3.34Å; V65-V69 PolarHBondContact O-N 3.36Å; Q66-V69 PolarHBondContact O-N 2.85Å; V69-A71 VanDerWaalsContact C-N 3.31Å; V69-A71 PolarHBondContact O-N 3.09Å; V69-G73 WeakPolarHBondContact O-CA 3.31Å; V69-G73 PolarHBondContact O-N 2.9Å; V69-I75 HydrophobicContact CG2-CG1 4.33Å; V69-Q102 HydrophobicContact CG2-CG 3.76Å
70N98.5Very high97.7Very high119 Ų11944 Ų4464%0.63623%0.227SC*.Hα-helixtrans-63.3-38.5176.1-69.5-11.9000112.1Q66 E67 A68Q66-N70 PolarHBondContact NE2-OD1 2.78Å; Q66-N70 WeakPolarHBondContact O-CB 3.09Å; Q66-N70 PolarHBondContact O-N 3.06Å; Q66-N70 PolarHBondContact O-ND2 3.36Å; Q66-N70 PolarHBondContact O-OD1 3.29Å; E67-N70 PolarHBondContact O-N 3.16Å; A68-N70 VanDerWaalsContact C-N 3.33Å
71A98.3Very high97.4Very high49 Ų4943.8 Ų43.841%0.40523%0.23SC..Hα-helixtrans-79.4-40.4-177.900000113.6I49 E67 A68 V69I49-A71 HydrophobicContact CD1-CB 3.66Å; I49-A71 HydrophobicContact CG2-CB 4.43Å; E67-A71 WeakPolarHBondContact O-CB 3.42Å; E67-A71 PolarHBondContact O-N 3.22Å; A68-A71 PolarHBondContact O-N 2.91Å; V69-A71 VanDerWaalsContact C-N 3.31Å; V69-A71 PolarHBondContact O-N 3.09Å
72F98.4Very high96.6Very high58 Ų5844.5 Ų44.525%0.25424%0.236SC..Hα-helixtrans-126.71-168.8-58-55.4000114.5N23 I24 V25 N47 I49 A68 R74N23-F72 HydrophobicContact CB-CD1 3.69Å; N23-F72 HydrophobicContact CB-CD2 4.07Å; N23-F72 HydrophobicContact CB-CE1 3.79Å; N23-F72 HydrophobicContact CB-CE2 4.15Å; N23-F72 HydrophobicContact CB-CG 3.83Å; N23-F72 HydrophobicContact CB-CZ 4.01Å; I24-F72 WeakPolarHBondContact O-CE2 3.38Å; V25-F72 HydrophobicContact CG2-CD2 3.7Å; V25-F72 HydrophobicContact CG2-CE2 3.61Å; N47-F72 HydrophobicContact CB-CE1 4.23Å; I49-F72 HydrophobicContact CD1-CE2 4.36Å; I49-F72 HydrophobicContact CG1-CE2 4.13Å; I49-F72 HydrophobicContact CG2-CE2 4.44Å; I49-F72 HydrophobicContact CG2-CZ 4.16Å; A68-F72 PolarHBondContact O-N 2.88Å; F72-R74 VanDerWaalsContact C-N 3.28Å; F72-R74 PolarHBondContact O-N 2.87Å
73G98.2Very high95.4Very high55 Ų5541.7 Ų41.757%0.56723%0.231SC*.SBendtrans84.4-24.4174.300000115.7V69V69-G73 WeakPolarHBondContact O-CA 3.31Å; V69-G73 PolarHBondContact O-N 2.9Å
74R98Very high93.9Very high76 Ų7641.5 Ų41.529%0.28723%0.233SC..  trans-160.7174.9-175.165.1-174.1-67.5160-3.2112.9F72 D76 Q108F72-R74 VanDerWaalsContact C-N 3.28Å; F72-R74 PolarHBondContact O-N 2.87Å; R74-D76 WeakPolarHBondContact CD-OD2 3.42Å; R74-D76 IonicContact CZ-OD1 2.6Å; R74-D76 VanDerWaalsContact NE-CG 3.32Å; R74-D76 IonicContact NE-OD1 2.68Å; R74-D76 PolarHBondContact NE-OD1 2.96Å; R74-D76 IonicContact NE-OD2 3Å; R74-D76 PolarHBondContact NE-OD2 2.67Å; R74-D76 IonicContact NH2-OD1 2.7Å; R74-D76 PolarHBondContact NH2-OD1 3.42Å; R74-Q108 VanDerWaalsContact NH1-CD 3.31Å; R74-Q108 VanDerWaalsContact NH2-CB 3.25Å
75I98.2Very high92.2Very high6 Ų643.7 Ų43.73%0.03125%0.249CC..  trans-128.1115.1170-55.9177.3000109M1 V65 A68 V69 Q102 M103 Q106M1-I75 HydrophobicContact CB-CG2 4.34Å; M1-I75 HydrophobicContact CE-CD1 3.69Å; M1-I75 HydrophobicContact CE-CG1 4.5Å; M1-I75 HydrophobicContact SD-CD1 4.18Å; V65-I75 HydrophobicContact CB-CD1 4.18Å; V65-I75 HydrophobicContact CG1-CD1 3.83Å; V65-I75 HydrophobicContact CG2-CD1 4.01Å; A68-I75 HydrophobicContact CB-CD1 4.15Å; A68-I75 HydrophobicContact CB-CG1 4.21Å; V69-I75 HydrophobicContact CG2-CG1 4.33Å; I75-Q102 HydrophobicContact CD1-CG 4.2Å; I75-Q102 HydrophobicContact CG1-CG 4.43Å; I75-M103 HydrophobicContact CG2-CE 3.77Å; I75-Q106 PolarHBondContact O-NE2 3.05Å; I75-Q106 PolarHBondContact O-OE1 2.88Å
76D98.3Very high90.2Very high54 Ų5449.4 Ų49.429%0.28928%0.275SS..  trans-95.1-38.9176.7-61.5-62.3000112.4R74 G110 A111R74-D76 WeakPolarHBondContact CD-OD2 3.42Å; R74-D76 IonicContact CZ-OD1 2.6Å; R74-D76 VanDerWaalsContact NE-CG 3.32Å; R74-D76 IonicContact NE-OD1 2.68Å; R74-D76 PolarHBondContact NE-OD1 2.96Å; R74-D76 IonicContact NE-OD2 3Å; R74-D76 PolarHBondContact NE-OD2 2.67Å; R74-D76 IonicContact NH2-OD1 2.7Å; R74-D76 PolarHBondContact NH2-OD1 3.42Å; D76-G110 CarbonylContact O-C 3.55Å; D76-G110 WeakPolarHBondContact O-CA 3.46Å; D76-A111 PolarHBondContact O-N 2.79Å
77Y98.4Very high88.4Confident94 Ų9451.3 Ų51.337%0.36929%0.287SS..EExtended strand (participates in β ladder)trans-131.3135.9-172-52-58.6000110.4M1 A111 L184M1-Y77 PolarHBondContact N-O 3.4Å; Y77-A111 CarbonylContact C-O 3.57Å; Y77-A111 VanDerWaalsContact CA-O 3.32Å; Y77-A111 WeakPolarHBondContact CA-O 3.21Å; Y77-A111 HydrophobicContact CD1-CB 4.08Å; Y77-L184 HydrophobicContact CD1-CB 4.23Å; Y77-L184 VanDerWaalsContact CD1-O 3.23Å; Y77-L184 WeakPolarHBondContact CD1-O 3.33Å; Y77-L184 WeakPolarHBondContact CE1-O 3.48Å
78A97.8Very high86.9Confident1 Ų148.9 Ų48.91%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-131.5134174.300000112.1M1 E99 M103 A111 I112 V113 L184M1-A78 CarbonylContact O-C 3.59Å; M1-A78 WeakPolarHBondContact O-CA 3.44Å; A78-E99 HydrophobicContact CB-CG 4.04Å; A78-E99 WeakPolarHBondContact CB-OE1 3.36Å; A78-E99 WeakPolarHBondContact CB-OE2 3.49Å; A78-M103 HydrophobicContact CB-CE 4.22Å; A78-A111 PolarHBondContact N-O 2.99Å; A78-I112 HydrophobicContact CB-CB 4.49Å; A78-I112 HydrophobicContact CB-CG1 4.12Å; A78-I112 HydrophobicContact CB-CG2 4.16Å; A78-I112 CarbonylContact O-C 3.51Å; A78-I112 WeakPolarHBondContact O-CA 3.21Å; A78-V113 PolarHBondContact O-N 3.28Å; A78-L184 WeakPolarHBondContact O-CD2 3.38Å
79L96.9Very high85.6Confident1 Ų151.2 Ų51.21%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-114.3117168.5174.362.4000108.8M1 I2 T3 V13 A81 V113 I115 I180M1-L79 PolarHBondContact O-N 2.89Å; I2-L79 HydrophobicContact CG1-CB 4.15Å; I2-L79 HydrophobicContact CG2-CB 4.32Å; I2-L79 HydrophobicContact CG2-CD2 3.96Å; I2-L79 HydrophobicContact CG2-CG 4.38Å; T3-L79 PolarHBondContact N-O 2.89Å; T3-L79 PolarHBondContact OG1-O 3.39Å; V13-L79 HydrophobicContact CB-CD2 3.84Å; V13-L79 HydrophobicContact CG1-CD2 3.83Å; V13-L79 HydrophobicContact CG2-CD2 3.82Å; L79-A81 HydrophobicContact CD1-CB 4.32Å; L79-A81 HydrophobicContact CD2-CB 4.06Å; L79-A81 HydrophobicContact CG-CB 3.89Å; L79-A81 PolarHBondContact O-N 2.99Å; L79-V113 WeakPolarHBondContact CA-O 3.18Å; L79-V113 HydrophobicContact CD1-CB 4.1Å; L79-V113 HydrophobicContact CD1-CG1 3.99Å; L79-V113 WeakPolarHBondContact CD1-O 3.26Å; L79-I115 HydrophobicContact CD1-CD1 3.78Å; L79-I115 HydrophobicContact CD1-CG1 3.75Å; L79-I180 HydrophobicContact CD1-CD1 4.4Å; L79-I180 HydrophobicContact CD1-CG2 3.78Å; L79-I180 HydrophobicContact CD2-CG2 4.13Å; L79-I180 HydrophobicContact CG-CG2 4.46Å
80N94.4Very high84.7Confident0 Ų052.8 Ų52.80%031%0.306CS..EExtended strand (participates in β ladder)trans-93.686.7172.9-68.9-43000109.7T3 I92 S95 E99 V113 N114 I115T3-N80 WeakPolarHBondContact OG1-CA 3.32Å; N80-I92 HydrophobicContact CB-CG1 4.22Å; N80-I92 HydrophobicContact CB-CG2 4.4Å; N80-S95 WeakPolarHBondContact OD1-CB 3.29Å; N80-E99 PolarHBondContact ND2-OE2 3.04Å; N80-E99 PolarHBondContact OD1-OE1 3.26Å; N80-E99 VanDerWaalsContact OD1-OE1 3.09Å; N80-E99 PolarHBondContact OD1-OE2 3.06Å; N80-V113 PolarHBondContact N-O 3.19Å; N80-N114 WeakPolarHBondContact CB-OD1 3.41Å; N80-N114 PolarHBondContact ND2-OD1 2.86Å; N80-I115 WeakPolarHBondContact O-CB 3.18Å; N80-I115 PolarHBondContact O-N 3.2Å
81A91Very high83.9Confident24 Ų2447.8 Ų47.820%0.19828%0.28CS..  trans-113.6-0.4-178.800000114T3 L79 G83 I115T3-A81 CarbonylContact O-C 3.31Å; T3-A81 WeakPolarHBondContact O-CB 3.4Å; T3-A81 PolarHBondContact O-N 2.98Å; T3-A81 PolarHBondContact OG1-N 3.5Å; T3-A81 VanDerWaalsContact OG1-N 3.16Å; L79-A81 HydrophobicContact CD1-CB 4.32Å; L79-A81 HydrophobicContact CD2-CB 4.06Å; L79-A81 HydrophobicContact CG-CB 3.89Å; L79-A81 PolarHBondContact O-N 2.99Å; A81-G83 PolarHBondContact O-N 3.3Å; A81-I115 HydrophobicContact CB-CB 4.29Å; A81-I115 HydrophobicContact CB-CG1 3.6Å
82A78Confident83.3Confident15 Ų1545.9 Ų45.912%0.12426%0.263CS..  trans-70.7125.1176.300000112.2T3 V55T3-A82 PolarHBondContact O-N 3.3Å; T3-A82 PolarHBondContact OG1-N 3.42Å; V55-A82 HydrophobicContact CG2-CB 3.43Å; V55-A82 VanDerWaalsContact CG2-CB 3.43Å
83G71.3Confident82.7Confident31 Ų3148.9 Ų48.932%0.3228%0.278SS..  trans155.6164.2167.200000111.6A81A81-G83 PolarHBondContact O-N 3.3Å
84H66.4Low82.3Confident81 Ų8147 Ų4738%0.37526%0.256SS..  trans-134.1138.4179.6-58.676.6000108.2R7 W29 H86 L87R7-H84 PolarHBondContact NH2-CD2 3.49Å; R7-H84 PolarHBondContact NH2-NE2 3.42Å; W29-H84 AromaticContact CZ2-CE1 3.86Å; W29-H84 AromaticContact NE1-CE1 3.76Å; H84-H86 PolarHBondContact O-N 3.2Å; H84-L87 PolarHBondContact O-N 2.85Å
85S62.3Low82.1Confident47 Ų4743.4 Ų43.433%0.32924%0.243SC..THydrogen-bonded Turntrans54.3-132.7179.371.50000113.5L87 Y130 E159S85-L87 VanDerWaalsContact C-N 3.29Å; S85-L87 PolarHBondContact O-N 3.4Å; S85-Y130 PolarHBondContact O-OH 2.89Å; S85-Y130 VanDerWaalsContact O-OH 3.13Å; S85-E159 WeakPolarHBondContact CA-OE1 3.35Å; S85-E159 WeakPolarHBondContact CB-OE1 3.43Å
86H55.6Low81.8Confident130 Ų13043.4 Ų43.460%0.60224%0.243SC*.THydrogen-bonded Turntrans-81.4-1.3-178.5-50-57.4000113.9H84 M127H84-H86 PolarHBondContact O-N 3.2Å; H86-M127 HydrophobicContact CB-CE 3.73Å
87L60.5Low81.6Confident135 Ų13546.6 Ų46.671%0.70725%0.251SS*.  trans-99.130.9-169.9-63.2178.3000114.2H84 S85 P91H84-L87 PolarHBondContact O-N 2.85Å; S85-L87 VanDerWaalsContact C-N 3.29Å; S85-L87 PolarHBondContact O-N 3.4Å; L87-P91 WeakPolarHBondContact O-CD 3.34Å
88I66.8Low81.4Confident19 Ų1942.5 Ų42.510%0.09724%0.236CC..  trans-81.2-23.2-178.668.4170.3000113.4A90 P91 I92 Y130I88-A90 PolarHBondContact O-N 2.95Å; I88-P91 WeakPolarHBondContact O-CD 3.27Å; I88-I92 HydrophobicContact CB-CD1 3.97Å; I88-I92 HydrophobicContact CD1-CD1 3.92Å; I88-I92 HydrophobicContact CG1-CD1 4.04Å; I88-I92 WeakPolarHBondContact O-CB 3.29Å; I88-I92 VanDerWaalsContact O-CG1 3.26Å; I88-I92 WeakPolarHBondContact O-CG1 3.35Å; I88-I92 PolarHBondContact O-N 3.09Å; I88-Y130 HydrophobicContact CD1-CD1 3.64Å; I88-Y130 HydrophobicContact CD1-CD2 3.98Å; I88-Y130 HydrophobicContact CD1-CE1 3.2Å; I88-Y130 HydrophobicContact CD1-CE2 3.61Å; I88-Y130 HydrophobicContact CD1-CG 3.98Å; I88-Y130 HydrophobicContact CG1-CD2 4.02Å; I88-Y130 HydrophobicContact CG1-CE1 4Å; I88-Y130 HydrophobicContact CG1-CE2 3.45Å; I88-Y130 VanDerWaalsContact CG1-CE2 3.45Å; I88-Y130 VanDerWaalsContact CG1-CZ 3.45Å
89T72.6Confident81.4Confident51 Ų5142.4 Ų42.431%0.31324%0.235SC..Hα-helixtrans-63.7-49.5-165.9-530000113.7I92 H93 A129T89-I92 PolarHBondContact O-N 3.29Å; T89-H93 WeakPolarHBondContact O-CB 3.08Å; T89-H93 PolarHBondContact O-N 3.34Å; T89-A129 HydrophobicContact CG2-CB 3.36Å
90A78.1Confident81.3Confident62 Ų6242.7 Ų42.751%0.51224%0.237SC..Hα-helixtrans-67-47.4-177.700000112.1I88 I92 H93 S94I88-A90 PolarHBondContact O-N 2.95Å; A90-I92 PolarHBondContact O-N 2.97Å; A90-H93 PolarHBondContact O-N 2.79Å; A90-S94 PolarHBondContact O-N 3.34Å; A90-S94 PolarHBondContact O-OG 3.49Å
91P82.7Confident81.4Confident15 Ų1546.9 Ų46.910%0.09726%0.255CS..Hα-helixtrans-49.9-48.9169.7-35.240.3000115.1V55 L87 I88 S94 S95V55-P91 HydrophobicContact CB-CB 4.41Å; V55-P91 HydrophobicContact CG2-CB 3.66Å; V55-P91 HydrophobicContact CG2-CG 4.43Å; L87-P91 WeakPolarHBondContact O-CD 3.34Å; I88-P91 WeakPolarHBondContact O-CD 3.27Å; P91-S94 PolarHBondContact O-N 3.04Å; P91-S95 WeakPolarHBondContact O-CB 3.49Å; P91-S95 PolarHBondContact O-N 3.02Å; P91-S95 PolarHBondContact O-OG 2.72Å
92I85.6Confident81.8Confident9 Ų946.7 Ų46.75%0.04625%0.25CS..Hα-helixtrans-63.6-45179.1-70170.3000110.1N80 I88 T89 A90 S94 S95 L96 N114 I115N80-I92 HydrophobicContact CB-CG1 4.22Å; N80-I92 HydrophobicContact CB-CG2 4.4Å; I88-I92 HydrophobicContact CB-CD1 3.97Å; I88-I92 HydrophobicContact CD1-CD1 3.92Å; I88-I92 HydrophobicContact CG1-CD1 4.04Å; I88-I92 WeakPolarHBondContact O-CB 3.29Å; I88-I92 VanDerWaalsContact O-CG1 3.26Å; I88-I92 WeakPolarHBondContact O-CG1 3.35Å; I88-I92 PolarHBondContact O-N 3.09Å; T89-I92 PolarHBondContact O-N 3.29Å; A90-I92 PolarHBondContact O-N 2.97Å; I92-S94 PolarHBondContact O-N 3.5Å; I92-S95 PolarHBondContact O-N 3.27Å; I92-L96 WeakPolarHBondContact O-CB 3.23Å; I92-L96 PolarHBondContact O-N 3.35Å; I92-N114 HydrophobicContact CG2-CB 4.17Å; I92-I115 WeakPolarHBondContact CD1-O 3.21Å
93H86.5Confident82.7Confident121 Ų12146 Ų4656%0.5624%0.244SC*.Hα-helixtrans-61.1-45.8-179.6-172.584.3000112.3T89 A90 R97T89-H93 WeakPolarHBondContact O-CB 3.08Å; T89-H93 PolarHBondContact O-N 3.34Å; A90-H93 PolarHBondContact O-N 2.79Å; H93-R97 VanDerWaalsContact O-CB 3.29Å; H93-R97 WeakPolarHBondContact O-CB 3.48Å; H93-R97 PolarHBondContact O-N 2.93Å
94S89.4Confident84Confident16 Ų1647.5 Ų47.511%0.11224%0.244CC..Hα-helixtrans-60.5-48.6178-63.60000111.5V55 A90 P91 I92 R97 A98V55-S94 WeakPolarHBondContact O-CB 3.28Å; A90-S94 PolarHBondContact O-N 3.34Å; A90-S94 PolarHBondContact O-OG 3.49Å; P91-S94 PolarHBondContact O-N 3.04Å; I92-S94 PolarHBondContact O-N 3.5Å; S94-R97 PolarHBondContact O-N 3.48Å; S94-A98 PolarHBondContact O-N 3.31Å; S94-A98 VanDerWaalsContact O-N 3.15Å
95S92.9Very high85.5Confident0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-64-53.4-178.9-54.70000111.3V55 N80 P91 I92 R97 A98 E99V55-S95 WeakPolarHBondContact CG1-OG 3.36Å; N80-S95 WeakPolarHBondContact OD1-CB 3.29Å; P91-S95 WeakPolarHBondContact O-CB 3.49Å; P91-S95 PolarHBondContact O-N 3.02Å; P91-S95 PolarHBondContact O-OG 2.72Å; I92-S95 PolarHBondContact O-N 3.27Å; S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 3.48Å; S95-A98 PolarHBondContact O-N 2.96Å; S95-A98 VanDerWaalsContact O-N 3.08Å; S95-E99 WeakPolarHBondContact O-CB 3.47Å; S95-E99 VanDerWaalsContact O-CG 3.22Å; S95-E99 WeakPolarHBondContact O-CG 3.2Å; S95-E99 PolarHBondContact O-N 3.01Å
96L92.7Very high87.2Confident6 Ų650.4 Ų50.43%0.03125%0.25CS..Hα-helixtrans-54-44.8178.4178.763.1000111.3I92 E99 L100 I112 I134 V143I92-L96 WeakPolarHBondContact O-CB 3.23Å; I92-L96 PolarHBondContact O-N 3.35Å; L96-E99 PolarHBondContact O-N 2.83Å; L96-L100 HydrophobicContact CD1-CD1 3.69Å; L96-L100 HydrophobicContact CD1-CG 3.95Å; L96-L100 HydrophobicContact CD2-CD1 4.46Å; L96-L100 HydrophobicContact CG-CD1 3.66Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.26Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 WeakPolarHBondContact O-CD1 3.4Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 3.19Å; L96-I112 HydrophobicContact CD1-CB 4.43Å; L96-I112 HydrophobicContact CD1-CD1 3.7Å; L96-I112 HydrophobicContact CD1-CG2 3.87Å; L96-I134 HydrophobicContact CD2-CD1 4.49Å; L96-V143 HydrophobicContact CD1-CG1 4.16Å
97R92.8Very high89.2Confident121 Ų12147.2 Ų47.246%0.45725%0.252SS..Hα-helixtrans-64-43.6179.1-176175.1-179.4-1016.1112.2H93 S94 S95 K101H93-R97 VanDerWaalsContact O-CB 3.29Å; H93-R97 WeakPolarHBondContact O-CB 3.48Å; H93-R97 PolarHBondContact O-N 2.93Å; S94-R97 PolarHBondContact O-N 3.48Å; S95-R97 VanDerWaalsContact C-N 3.28Å; S95-R97 PolarHBondContact O-N 3.48Å; R97-K101 VanDerWaalsContact NH1-NZ 3.1Å; R97-K101 VanDerWaalsContact O-CG 3.29Å; R97-K101 WeakPolarHBondContact O-CG 3.22Å; R97-K101 PolarHBondContact O-N 2.99Å; R97-K101 VanDerWaalsContact O-N 3.15Å
98A95.7Very high91Very high7 Ų746.9 Ų46.96%0.05825%0.247CC..Hα-helixtrans-66.5-43.6179.200000111.5A61 E62 V65 S94 S95 K101 Q102A61-A98 HydrophobicContact CB-CB 4.23Å; A61-A98 VanDerWaalsContact O-CB 3.28Å; A61-A98 WeakPolarHBondContact O-CB 3.39Å; E62-A98 HydrophobicContact CG-CB 4.42Å; V65-A98 HydrophobicContact CG2-CB 3.76Å; S94-A98 PolarHBondContact O-N 3.31Å; S94-A98 VanDerWaalsContact O-N 3.15Å; S95-A98 PolarHBondContact O-N 2.96Å; S95-A98 VanDerWaalsContact O-N 3.08Å; A98-K101 PolarHBondContact O-N 3.22Å; A98-Q102 PolarHBondContact O-N 3.07Å
99E96.7Very high92.4Very high0 Ų046.2 Ų46.20%025%0.246CC..Hα-helixtrans-62.6-49.3178.3-69.1162.1169.500111.6M1 M64 V65 A78 N80 S95 L96 K101 Q102 M103 I112M1-E99 HydrophobicContact SD-CG 4.36Å; M64-E99 HydrophobicContact CE-CG 4.21Å; V65-E99 HydrophobicContact CG2-CG 4.3Å; A78-E99 HydrophobicContact CB-CG 4.04Å; A78-E99 WeakPolarHBondContact CB-OE1 3.36Å; A78-E99 WeakPolarHBondContact CB-OE2 3.49Å; N80-E99 PolarHBondContact ND2-OE2 3.04Å; N80-E99 PolarHBondContact OD1-OE1 3.26Å; N80-E99 VanDerWaalsContact OD1-OE1 3.09Å; N80-E99 PolarHBondContact OD1-OE2 3.06Å; S95-E99 WeakPolarHBondContact O-CB 3.47Å; S95-E99 VanDerWaalsContact O-CG 3.22Å; S95-E99 WeakPolarHBondContact O-CG 3.2Å; S95-E99 PolarHBondContact O-N 3.01Å; L96-E99 PolarHBondContact O-N 2.83Å; E99-K101 VanDerWaalsContact C-N 3.34Å; E99-K101 PolarHBondContact O-N 3.03Å; E99-Q102 PolarHBondContact O-N 3.4Å; E99-Q102 VanDerWaalsContact O-N 3.11Å; E99-M103 WeakPolarHBondContact O-CG 3.46Å; E99-M103 PolarHBondContact O-N 3.39Å; E99-I112 HydrophobicContact CB-CD1 3.99Å
100L95.8Very high93.6Very high6 Ų644.6 Ų44.63%0.03124%0.238CC..Hα-helixtrans-59.8-43.5178.2-74.2167000111.9L96 Q102 M103 I104 I112 Y136 I141 V143L96-L100 HydrophobicContact CD1-CD1 3.69Å; L96-L100 HydrophobicContact CD1-CG 3.95Å; L96-L100 HydrophobicContact CD2-CD1 4.46Å; L96-L100 HydrophobicContact CG-CD1 3.66Å; L96-L100 HydrophobicContact CG-CG 4.34Å; L96-L100 VanDerWaalsContact O-CB 3.26Å; L96-L100 WeakPolarHBondContact O-CB 3.47Å; L96-L100 WeakPolarHBondContact O-CD1 3.4Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 3.19Å; L100-Q102 VanDerWaalsContact C-N 3.26Å; L100-Q102 PolarHBondContact O-N 2.96Å; L100-M103 PolarHBondContact O-N 3.31Å; L100-I104 WeakPolarHBondContact O-CB 3.03Å; L100-I104 WeakPolarHBondContact O-CD1 3.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.24Å; L100-I104 PolarHBondContact O-N 3.06Å; L100-I112 HydrophobicContact CD2-CD1 3.86Å; L100-I112 HydrophobicContact CG-CD1 3.96Å; L100-Y136 HydrophobicContact CD1-CD2 4.01Å; L100-Y136 HydrophobicContact CD1-CE1 4.17Å; L100-Y136 HydrophobicContact CD1-CE2 3.38Å; L100-Y136 VanDerWaalsContact CD1-CZ 3.5Å; L100-Y136 HydrophobicContact CD2-CD1 3.84Å; L100-Y136 HydrophobicContact CD2-CD2 3.65Å; L100-Y136 HydrophobicContact CD2-CE1 4.11Å; L100-Y136 HydrophobicContact CD2-CE2 3.9Å; L100-Y136 HydrophobicContact CD2-CG 3.64Å; L100-Y136 HydrophobicContact CG-CD2 4.48Å; L100-Y136 HydrophobicContact CG-CE2 4.25Å; L100-I141 HydrophobicContact CD2-CD1 4.28Å; L100-I141 HydrophobicContact CD2-CG2 3.98Å; L100-V143 HydrophobicContact CD2-CG2 4.32Å
101K96.8Very high94.5Very high89 Ų8941.7 Ų41.739%0.38721%0.214SC..Hα-helixtrans-54.9-45.2175.3-78.7174.7178.3-173.60111E62 R97 A98 E99 K105E62-K101 IonicContact OE1-NZ 2.77Å; E62-K101 PolarHBondContact OE1-NZ 3.48Å; R97-K101 VanDerWaalsContact NH1-NZ 3.1Å; R97-K101 VanDerWaalsContact O-CG 3.29Å; R97-K101 WeakPolarHBondContact O-CG 3.22Å; R97-K101 PolarHBondContact O-N 2.99Å; R97-K101 VanDerWaalsContact O-N 3.15Å; A98-K101 PolarHBondContact O-N 3.22Å; E99-K101 VanDerWaalsContact C-N 3.34Å; E99-K101 PolarHBondContact O-N 3.03Å; K101-K105 WeakPolarHBondContact O-CB 3.23Å; K101-K105 PolarHBondContact O-N 2.99Å
102Q98.2Very high95.1Very high20 Ų2041 Ų419%0.09321%0.21CC..Hα-helixtrans-72.6-42.8-179.3176.655.938.600112.7V65 V69 I75 A98 E99 L100 I104 K105 Q106V65-Q102 HydrophobicContact CG1-CB 3.41Å; V65-Q102 VanDerWaalsContact CG1-CB 3.41Å; V65-Q102 HydrophobicContact CG1-CG 3.73Å; V69-Q102 HydrophobicContact CG2-CG 3.76Å; I75-Q102 HydrophobicContact CD1-CG 4.2Å; I75-Q102 HydrophobicContact CG1-CG 4.43Å; A98-Q102 PolarHBondContact O-N 3.07Å; E99-Q102 PolarHBondContact O-N 3.4Å; E99-Q102 VanDerWaalsContact O-N 3.11Å; L100-Q102 VanDerWaalsContact C-N 3.26Å; L100-Q102 PolarHBondContact O-N 2.96Å; Q102-I104 VanDerWaalsContact C-N 3.33Å; Q102-I104 PolarHBondContact O-N 3.2Å; Q102-K105 WeakPolarHBondContact O-CB 3.34Å; Q102-K105 PolarHBondContact O-N 3.21Å; Q102-K105 VanDerWaalsContact O-N 3.17Å; Q102-Q106 PolarHBondContact O-N 2.79Å
103M98.2Very high95.6Very high1 Ų140.5 Ų40.51%0.00521%0.208CC..Hα-helixtrans-63.9-37.2177.1-71.9-178.4177.800112.2I75 A78 E99 L100 Q106 G107 I112 I141I75-M103 HydrophobicContact CG2-CE 3.77Å; A78-M103 HydrophobicContact CB-CE 4.22Å; E99-M103 WeakPolarHBondContact O-CG 3.46Å; E99-M103 PolarHBondContact O-N 3.39Å; L100-M103 PolarHBondContact O-N 3.31Å; M103-Q106 VanDerWaalsContact O-CG 3.3Å; M103-Q106 WeakPolarHBondContact O-CG 3.43Å; M103-G107 PolarHBondContact O-N 3.45Å; M103-I112 HydrophobicContact CE-CD1 4.32Å; M103-I112 HydrophobicContact CE-CG1 3.91Å; M103-I112 HydrophobicContact SD-CD1 3.89Å; M103-I112 HydrophobicContact SD-CG1 3.87Å; M103-I141 HydrophobicContact CB-CD1 3.52Å; M103-I141 HydrophobicContact CB-CG1 4.03Å; M103-I141 HydrophobicContact SD-CG2 3.93Å
104I97.9Very high95.9Very high61 Ų6134.8 Ų34.831%0.31318%0.181SC..Hα-helixtrans-64.9-45.7172.2-68.6166.7000110.1L100 Q102 Q106 G107 Y136 Y139 I141L100-I104 WeakPolarHBondContact O-CB 3.03Å; L100-I104 WeakPolarHBondContact O-CD1 3.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.24Å; L100-I104 PolarHBondContact O-N 3.06Å; Q102-I104 VanDerWaalsContact C-N 3.33Å; Q102-I104 PolarHBondContact O-N 3.2Å; I104-Q106 PolarHBondContact O-N 3.46Å; I104-G107 PolarHBondContact O-N 3.49Å; I104-Y136 HydrophobicContact CD1-CD1 3.97Å; I104-Y136 HydrophobicContact CD1-CE1 3.83Å; I104-Y139 HydrophobicContact CD1-CD2 4.16Å; I104-Y139 HydrophobicContact CD1-CE2 4Å; I104-Y139 HydrophobicContact CG1-CD1 4.25Å; I104-Y139 HydrophobicContact CG1-CD2 4.01Å; I104-Y139 HydrophobicContact CG1-CE2 4.26Å; I104-Y139 HydrophobicContact CG1-CG 3.97Å; I104-Y139 HydrophobicContact CG2-CD1 4.19Å; I104-Y139 HydrophobicContact CG2-CE1 4.08Å; I104-I141 HydrophobicContact CG1-CD1 3.78Å
105K98.1Very high95.9Very high162 Ų16235 Ų3570%0.70418%0.181SC*.Hα-helixtrans-61.3-40.4-179.7-179.3-176.6174.6-172.30112.6K101 Q102 G107K101-K105 WeakPolarHBondContact O-CB 3.23Å; K101-K105 PolarHBondContact O-N 2.99Å; Q102-K105 WeakPolarHBondContact O-CB 3.34Å; Q102-K105 PolarHBondContact O-N 3.21Å; Q102-K105 VanDerWaalsContact O-N 3.17Å; K105-G107 VanDerWaalsContact C-N 3.31Å
106Q97.6Very high95.5Very high27 Ų2735.1 Ų35.113%0.12618%0.182CC..Hα-helixtrans-75.1-19.5-179.974.9-171.236.500113.5I75 Q102 M103 I104 Q108 G109I75-Q106 PolarHBondContact O-NE2 3.05Å; I75-Q106 PolarHBondContact O-OE1 2.88Å; Q102-Q106 PolarHBondContact O-N 2.79Å; M103-Q106 VanDerWaalsContact O-CG 3.3Å; M103-Q106 WeakPolarHBondContact O-CG 3.43Å; I104-Q106 PolarHBondContact O-N 3.46Å; Q106-Q108 VanDerWaalsContact C-N 3.32Å; Q106-Q108 PolarHBondContact O-N 3.24Å; Q106-Q108 PolarHBondContact O-NE2 3.37Å; Q106-G109 PolarHBondContact NE2-O 3.48Å
107G97.8Very high94.9Very high63 Ų6336.3 Ų36.365%0.64919%0.191SC*.THydrogen-bonded Turntrans68.522.2170.500000115.9M103 I104 K105M103-G107 PolarHBondContact O-N 3.45Å; I104-G107 PolarHBondContact O-N 3.49Å; K105-G107 VanDerWaalsContact C-N 3.31Å
108Q97.1Very high94.1Very high128 Ų12830.6 Ų30.660%0.59817%0.17SC*.SBendtrans-125.319.4-172.6-70.4172.271.800113R74 Q106R74-Q108 VanDerWaalsContact NH1-CD 3.31Å; R74-Q108 VanDerWaalsContact NH2-CB 3.25Å; Q106-Q108 VanDerWaalsContact C-N 3.32Å; Q106-Q108 PolarHBondContact O-N 3.24Å; Q106-Q108 PolarHBondContact O-NE2 3.37Å
109G96.6Very high93Very high6 Ų632.1 Ų32.16%0.06218%0.178CC..  trans68.6-162.3-176.700000113.4Q106 Y139 G140Q106-G109 PolarHBondContact NE2-O 3.48Å; G109-Y139 WeakPolarHBondContact CA-O 3.47Å; G109-G140 WeakPolarHBondContact CA-O 3.45Å
110G97.6Very high91.5Very high16 Ų1633 Ų3317%0.16519%0.188CC..EExtended strand (participates in β ladder)trans161.1178.9177.300000112.1D76 G140 I141 R142D76-G110 CarbonylContact O-C 3.55Å; D76-G110 WeakPolarHBondContact O-CA 3.46Å; G110-G140 PolarHBondContact N-O 2.9Å; G110-I141 CarbonylContact O-C 3.57Å; G110-I141 VanDerWaalsContact O-CA 3.3Å; G110-I141 WeakPolarHBondContact O-CA 3.39Å; G110-R142 PolarHBondContact O-N 3.27Å
111A97.7Very high90.1Very high1 Ų136 Ų361%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-134.613717400000111.6D76 Y77 A78 R142 L184D76-A111 PolarHBondContact O-N 2.79Å; Y77-A111 CarbonylContact C-O 3.57Å; Y77-A111 VanDerWaalsContact CA-O 3.32Å; Y77-A111 WeakPolarHBondContact CA-O 3.21Å; Y77-A111 HydrophobicContact CD1-CB 4.08Å; A78-A111 PolarHBondContact N-O 2.99Å; A111-R142 CarbonylContact C-O 3.55Å; A111-R142 WeakPolarHBondContact CA-O 3.33Å; A111-R142 HydrophobicContact CB-CB 4.38Å; A111-L184 HydrophobicContact CB-CD2 4.17Å; A111-L184 WeakPolarHBondContact CB-O 3.3Å; A111-L184 WeakPolarHBondContact O-CD2 3.36Å
112I96.3Very high88.3Confident0 Ų034.6 Ų34.60%020%0.201CC..EExtended strand (participates in β ladder)trans-124.9129.6178.6-50.4-176.4000108.7A78 L96 E99 L100 M103 I141 R142 V143 N144A78-I112 HydrophobicContact CB-CB 4.49Å; A78-I112 HydrophobicContact CB-CG1 4.12Å; A78-I112 HydrophobicContact CB-CG2 4.16Å; A78-I112 CarbonylContact O-C 3.51Å; A78-I112 WeakPolarHBondContact O-CA 3.21Å; L96-I112 HydrophobicContact CD1-CB 4.43Å; L96-I112 HydrophobicContact CD1-CD1 3.7Å; L96-I112 HydrophobicContact CD1-CG2 3.87Å; E99-I112 HydrophobicContact CB-CD1 3.99Å; L100-I112 HydrophobicContact CD2-CD1 3.86Å; L100-I112 HydrophobicContact CG-CD1 3.96Å; M103-I112 HydrophobicContact CE-CD1 4.32Å; M103-I112 HydrophobicContact CE-CG1 3.91Å; M103-I112 HydrophobicContact SD-CD1 3.89Å; M103-I112 HydrophobicContact SD-CG1 3.87Å; I112-I141 HydrophobicContact CD1-CG2 4.45Å; I112-I141 HydrophobicContact CG1-CG2 4.46Å; I112-R142 PolarHBondContact N-O 2.89Å; I112-V143 HydrophobicContact CB-CG1 4.43Å; I112-V143 HydrophobicContact CB-CG2 4.36Å; I112-V143 WeakPolarHBondContact O-CA 2.98Å; I112-N144 PolarHBondContact O-N 3Å
113V95Very high86Confident0 Ų036.4 Ų36.40%023%0.225CC..EExtended strand (participates in β ladder)trans-113.6122.4169.8174.70000108.7A78 L79 N80 I115 N144 V146 I180 L183 L184A78-V113 PolarHBondContact O-N 3.28Å; L79-V113 WeakPolarHBondContact CA-O 3.18Å; L79-V113 HydrophobicContact CD1-CB 4.1Å; L79-V113 HydrophobicContact CD1-CG1 3.99Å; L79-V113 WeakPolarHBondContact CD1-O 3.26Å; N80-V113 PolarHBondContact N-O 3.19Å; V113-I115 HydrophobicContact CG1-CD1 4.4Å; V113-N144 WeakPolarHBondContact CA-O 3.06Å; V113-V146 HydrophobicContact CG1-CB 4.35Å; V113-V146 HydrophobicContact CG1-CG2 3.79Å; V113-I180 HydrophobicContact CB-CG2 4.39Å; V113-I180 HydrophobicContact CG1-CG1 4.27Å; V113-I180 HydrophobicContact CG1-CG2 4.23Å; V113-L183 HydrophobicContact CG2-CB 3.63Å; V113-L183 HydrophobicContact CG2-CD1 4.49Å; V113-L184 HydrophobicContact CB-CD2 4.25Å; V113-L184 HydrophobicContact CG2-CD2 3.75Å; V113-L184 HydrophobicContact CG2-CG 3.86Å
114N92.6Very high83.5Confident0 Ų041.1 Ų41.10%025%0.25CC..EExtended strand (participates in β ladder)trans-95.9126.3172.7-63.2-37.7000109.5N80 I92 A132 N144 S145 V146N80-N114 WeakPolarHBondContact CB-OD1 3.41Å; N80-N114 PolarHBondContact ND2-OD1 2.86Å; I92-N114 HydrophobicContact CG2-CB 4.17Å; N114-A132 PolarHBondContact ND2-O 2.88Å; N114-N144 PolarHBondContact N-O 2.71Å; N114-S145 CarbonylContact O-C 3.54Å; N114-S145 WeakPolarHBondContact O-CA 3.45Å; N114-S145 WeakPolarHBondContact O-CB 3.49Å; N114-V146 PolarHBondContact O-N 3.49Å
115I89.5Confident80.7Confident20 Ų2042.7 Ų42.710%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-78.4129.3171.1-64.7-47.5000109.4L79 N80 A81 I92 V113 V146 M148 I180L79-I115 HydrophobicContact CD1-CD1 3.78Å; L79-I115 HydrophobicContact CD1-CG1 3.75Å; N80-I115 WeakPolarHBondContact O-CB 3.18Å; N80-I115 PolarHBondContact O-N 3.2Å; A81-I115 HydrophobicContact CB-CB 4.29Å; A81-I115 HydrophobicContact CB-CG1 3.6Å; I92-I115 WeakPolarHBondContact CD1-O 3.21Å; V113-I115 HydrophobicContact CG1-CD1 4.4Å; I115-V146 HydrophobicContact CD1-CB 4.08Å; I115-M148 HydrophobicContact CB-CE 4.26Å; I115-M148 HydrophobicContact CD1-CE 3.69Å; I115-M148 HydrophobicContact CG1-CE 4.17Å; I115-M148 HydrophobicContact CG2-CE 3.3Å; I115-M148 HydrophobicContact CG2-SD 3.86Å; I115-I180 HydrophobicContact CD1-CD1 3.67Å; I115-I180 HydrophobicContact CD1-CG1 4.07Å
116A84Confident77.7Confident4 Ų445.7 Ų45.73%0.03328%0.275CS..EExtended strand (participates in β ladder)trans-133.3-172.3177.300000108.9Y130 V146 N147 M148A116-Y130 HydrophobicContact CB-CD1 4.03Å; A116-Y130 WeakPolarHBondContact CB-O 3.45Å; A116-V146 PolarHBondContact N-O 3.17Å; A116-N147 HydrophobicContact CB-CB 4.47Å; A116-N147 WeakPolarHBondContact CB-OD1 3.43Å; A116-M148 WeakPolarHBondContact O-CG 3.43Å; A116-M148 PolarHBondContact O-N 2.89Å
117S80Confident75.4Confident30 Ų3046.2 Ų46.221%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-121.4150.2176.5179.70000111.1V119 G120 Y130 N147 M148S117-V119 PolarHBondContact O-N 3.37Å; S117-V119 WeakPolarHBondContact OG-CG2 3.41Å; S117-V119 PolarHBondContact OG-N 2.99Å; S117-G120 PolarHBondContact O-N 3.21Å; S117-Y130 VanDerWaalsContact CB-CE1 3.44Å; S117-Y130 VanDerWaalsContact N-CD1 3.33Å; S117-N147 PolarHBondContact O-ND2 3.37Å; S117-M148 WeakPolarHBondContact CA-O 3.32Å
118A77.8Confident73Confident2 Ų248.6 Ų48.62%0.01728%0.282CS..G310 helixtrans-56.3-25.6170.200000112.5G120 I121 V122 M148 D199 Y202 T203A118-G120 PolarHBondContact O-N 2.91Å; A118-I121 WeakPolarHBondContact O-CB 3.43Å; A118-I121 PolarHBondContact O-N 3.33Å; A118-V122 PolarHBondContact O-N 3.15Å; A118-M148 WeakPolarHBondContact CB-O 3.26Å; A118-M148 PolarHBondContact N-O 2.88Å; A118-D199 HydrophobicContact CB-CB 3.73Å; A118-Y202 HydrophobicContact CB-CD1 3.87Å; A118-Y202 HydrophobicContact CB-CE1 4.4Å; A118-T203 HydrophobicContact CB-CG2 4.09Å
119V72.2Confident70.7Confident38 Ų3844.9 Ų44.923%0.2327%0.273CS..G310 helixtrans-62-26.4174.9-540000113.1S117 I121 I124 M127S117-V119 PolarHBondContact O-N 3.37Å; S117-V119 WeakPolarHBondContact OG-CG2 3.41Å; S117-V119 PolarHBondContact OG-N 2.99Å; V119-I121 VanDerWaalsContact C-N 3.3Å; V119-I124 HydrophobicContact CB-CD1 3.96Å; V119-I124 HydrophobicContact CG1-CD1 4.37Å; V119-M127 HydrophobicContact CG2-SD 4.45Å
120G64.9Low68.7Low20 Ų2045.1 Ų45.121%0.20627%0.272CS..G310 helixtrans-73.2-20174.800000113.6S117 A118S117-G120 PolarHBondContact O-N 3.21Å; A118-G120 PolarHBondContact O-N 2.91Å
121I66.9Low66.8Low69 Ų6945.9 Ų45.935%0.35427%0.273SS..THydrogen-bonded Turntrans-84.9-43.4176.7-62.2178.9000110.5A118 V119 G123 N147 V195 A197 T203A118-I121 WeakPolarHBondContact O-CB 3.43Å; A118-I121 PolarHBondContact O-N 3.33Å; V119-I121 VanDerWaalsContact C-N 3.3Å; I121-G123 PolarHBondContact O-N 2.93Å; I121-N147 HydrophobicContact CD1-CB 3.51Å; I121-N147 HydrophobicContact CG1-CB 4.04Å; I121-N147 VanDerWaalsContact CG1-ND2 3.35Å; I121-N147 WeakPolarHBondContact CG1-ND2 3.48Å; I121-V195 HydrophobicContact CD1-CG1 3.9Å; I121-V195 HydrophobicContact CG1-CG1 4.06Å; I121-A197 HydrophobicContact CD1-CB 3.74Å; I121-T203 HydrophobicContact CB-CG2 3.67Å; I121-T203 HydrophobicContact CD1-CG2 4.2Å; I121-T203 HydrophobicContact CG1-CG2 4.47Å; I121-T203 HydrophobicContact CG2-CG2 3.67Å
122V58.5Low65.1Low58 Ų5847 Ų4735%0.35228%0.282SS..THydrogen-bonded Turntrans-74.310.4-178.7-61.90000114.1A118 I124 Y202 T203A118-V122 PolarHBondContact O-N 3.15Å; V122-I124 HydrophobicContact CG2-CG1 4.47Å; V122-Y202 HydrophobicContact CG1-CD1 4.49Å; V122-Y202 HydrophobicContact CG1-CE1 4.04Å; V122-Y202 HydrophobicContact CG2-CE1 4.08Å; V122-T203 HydrophobicContact CG1-CG2 3.69Å
123G48.9Very low63.7Low58 Ų5848.9 Ų48.960%0.59829%0.294SS*.THydrogen-bonded Turntrans69.637.4167.500000114.9I121 S125I121-G123 PolarHBondContact O-N 2.93Å; G123-S125 PolarHBondContact O-N 3.23Å
124I47.3Very low62.7Low101 Ų10152.6 Ų52.652%0.51831%0.313SS..  trans-64.8106.8161.9-53.3-172.9000106.5V119 V122 Y126V119-I124 HydrophobicContact CB-CD1 3.96Å; V119-I124 HydrophobicContact CG1-CD1 4.37Å; V122-I124 HydrophobicContact CG2-CG1 4.47Å; I124-Y126 PolarHBondContact O-N 3.36Å
125S37.5Very low62Low93 Ų9358.2 Ų58.265%0.6534%0.343SS*.THydrogen-bonded Turntrans-40135178.8-72.20000110.6G123G123-S125 PolarHBondContact O-N 3.23Å
126Y37Very low62Low226 Ų22660 Ų6089%0.88635%0.349SS*.THydrogen-bonded Turntrans100.75.7177.1-52.7-70.5000119.4I124 P128I124-Y126 PolarHBondContact O-N 3.36Å; Y126-P128 VanDerWaalsContact C-CD 3.46Å
127M48.1Very low62.3Low37 Ų3762.2 Ų62.218%0.18237%0.367CS..  trans-123.640.1-178.9-62.4-171.3137.600117.5H86 V119 A129 Y130H86-M127 HydrophobicContact CB-CE 3.73Å; V119-M127 HydrophobicContact CG2-SD 4.45Å; M127-A129 PolarHBondContact O-N 3.16Å; M127-Y130 HydrophobicContact CB-CD2 3.85Å; M127-Y130 HydrophobicContact CB-CG 4.2Å; M127-Y130 HydrophobicContact CE-CD2 3.94Å; M127-Y130 HydrophobicContact CE-CE2 3.22Å; M127-Y130 HydrophobicContact CG-CD2 4.07Å; M127-Y130 HydrophobicContact CG-CE2 4.3Å; M127-Y130 VanDerWaalsContact O-CB 3.29Å; M127-Y130 WeakPolarHBondContact O-CB 3.45Å; M127-Y130 PolarHBondContact O-N 3.34Å; M127-Y130 HydrophobicContact SD-CD2 3.75Å; M127-Y130 HydrophobicContact SD-CE2 3.5Å; M127-Y130 VanDerWaalsContact SD-CE2 3.5Å; M127-Y130 HydrophobicContact SD-CG 4.38Å
128P46.8Very low63Low114 Ų11468.6 Ų68.674%0.7439%0.391SS*.G310 helixtrans-64.5-22.617626.4-32.7000113.6Y126 Y130Y126-P128 VanDerWaalsContact C-CD 3.46Å; P128-Y130 PolarHBondContact O-N 2.93Å
129A48.5Very low63.9Low50 Ų5073.1 Ų73.141%0.41341%0.409SS..G310 helixtrans-74-10.1175.400000113.6T89 M127 T131T89-A129 HydrophobicContact CG2-CB 3.36Å; M127-A129 PolarHBondContact O-N 3.16Å; A129-T131 VanDerWaalsContact C-N 3.28Å; A129-T131 PolarHBondContact O-N 3.09Å
130Y55.1Low65Low10 Ų1073.5 Ų73.54%0.03942%0.42CS..G310 helixtrans-64.1-34.7177-112-117.6000112.1S85 I88 A116 S117 M127 P128S85-Y130 PolarHBondContact O-OH 2.89Å; S85-Y130 VanDerWaalsContact O-OH 3.13Å; I88-Y130 HydrophobicContact CD1-CD1 3.64Å; I88-Y130 HydrophobicContact CD1-CD2 3.98Å; I88-Y130 HydrophobicContact CD1-CE1 3.2Å; I88-Y130 HydrophobicContact CD1-CE2 3.61Å; I88-Y130 HydrophobicContact CD1-CG 3.98Å; I88-Y130 HydrophobicContact CG1-CD2 4.02Å; I88-Y130 HydrophobicContact CG1-CE1 4Å; I88-Y130 HydrophobicContact CG1-CE2 3.45Å; I88-Y130 VanDerWaalsContact CG1-CE2 3.45Å; I88-Y130 VanDerWaalsContact CG1-CZ 3.45Å; A116-Y130 HydrophobicContact CB-CD1 4.03Å; A116-Y130 WeakPolarHBondContact CB-O 3.45Å; S117-Y130 VanDerWaalsContact CB-CE1 3.44Å; S117-Y130 VanDerWaalsContact N-CD1 3.33Å; M127-Y130 HydrophobicContact CB-CD2 3.85Å; M127-Y130 HydrophobicContact CB-CG 4.2Å; M127-Y130 HydrophobicContact CE-CD2 3.94Å; M127-Y130 HydrophobicContact CE-CE2 3.22Å; M127-Y130 HydrophobicContact CG-CD2 4.07Å; M127-Y130 HydrophobicContact CG-CE2 4.3Å; M127-Y130 VanDerWaalsContact O-CB 3.29Å; M127-Y130 WeakPolarHBondContact O-CB 3.45Å; M127-Y130 PolarHBondContact O-N 3.34Å; M127-Y130 HydrophobicContact SD-CD2 3.75Å; M127-Y130 HydrophobicContact SD-CE2 3.5Å; M127-Y130 VanDerWaalsContact SD-CE2 3.5Å; M127-Y130 HydrophobicContact SD-CG 4.38Å; P128-Y130 PolarHBondContact O-N 2.93Å
131T58.2Low66.5Low32 Ų3272.6 Ų72.620%0.19641%0.411CS..G310 helixtrans-102.932.7-172.565.60000111.8A129 T133 N147 V195A129-T131 VanDerWaalsContact C-N 3.28Å; A129-T131 PolarHBondContact O-N 3.09Å; T131-T133 WeakPolarHBondContact O-CG2 3.29Å; T131-T133 PolarHBondContact O-N 2.95Å; T131-T133 PolarHBondContact O-OG1 2.85Å; T131-N147 VanDerWaalsContact CG2-ND2 3.27Å; T131-N147 WeakPolarHBondContact CG2-ND2 3.11Å; T131-V195 HydrophobicContact CG2-CG1 4.09Å; T131-V195 HydrophobicContact CG2-CG2 4.33Å
132A61.1Low67.9Low24 Ų2470.5 Ų70.520%0.19840%0.398CS..  trans-53101.8-174.100000110.4N114N114-A132 PolarHBondContact ND2-O 2.88Å
133T68.3Low69.6Low40 Ų4067.7 Ų67.725%0.24538%0.381CS..  trans-130.8108.8178.544.40000103.5T131 S194 V195T131-T133 WeakPolarHBondContact O-CG2 3.29Å; T131-T133 PolarHBondContact O-N 2.95Å; T131-T133 PolarHBondContact O-OG1 2.85Å; T133-S194 WeakPolarHBondContact CG2-O 3.4Å; T133-V195 HydrophobicContact CG2-CG2 4.36Å
134I73.1Confident71.7Confident79 Ų7965 Ų6541%0.40535%0.353SS..  trans-120.5138.3-174.3-58.4174.6000106.9L96 Y136L96-I134 HydrophobicContact CD2-CD1 4.49Å; I134-Y136 HydrophobicContact CB-CD2 4.07Å; I134-Y136 HydrophobicContact CB-CE2 3.76Å; I134-Y136 HydrophobicContact CG2-CD2 3.83Å; I134-Y136 HydrophobicContact CG2-CE2 3.35Å; I134-Y136 PolarHBondContact O-N 3.35Å
135D77.3Confident73.9Confident117 Ų11760.1 Ų60.163%0.62633%0.328SS*.  trans-71.5109.8178.2-17715000111.3A137D135-A137 WeakPolarHBondContact OD1-CB 3.08Å; D135-A137 PolarHBondContact OD1-N 3.44Å
136Y90.8Very high76.4Confident57 Ų5755.7 Ų55.722%0.22430%0.297CS..BIsolated β-bridgetrans-120.419.7166.5-73.9-94.9000111.4L100 I104 I134 K138 Y139 I141 V143L100-Y136 HydrophobicContact CD1-CD2 4.01Å; L100-Y136 HydrophobicContact CD1-CE1 4.17Å; L100-Y136 HydrophobicContact CD1-CE2 3.38Å; L100-Y136 VanDerWaalsContact CD1-CZ 3.5Å; L100-Y136 HydrophobicContact CD2-CD1 3.84Å; L100-Y136 HydrophobicContact CD2-CD2 3.65Å; L100-Y136 HydrophobicContact CD2-CE1 4.11Å; L100-Y136 HydrophobicContact CD2-CE2 3.9Å; L100-Y136 HydrophobicContact CD2-CG 3.64Å; L100-Y136 HydrophobicContact CG-CD2 4.48Å; L100-Y136 HydrophobicContact CG-CE2 4.25Å; I104-Y136 HydrophobicContact CD1-CD1 3.97Å; I104-Y136 HydrophobicContact CD1-CE1 3.83Å; I134-Y136 HydrophobicContact CB-CD2 4.07Å; I134-Y136 HydrophobicContact CB-CE2 3.76Å; I134-Y136 HydrophobicContact CG2-CD2 3.83Å; I134-Y136 HydrophobicContact CG2-CE2 3.35Å; I134-Y136 PolarHBondContact O-N 3.35Å; Y136-K138 PolarHBondContact O-N 2.92Å; Y136-Y139 AromaticContact CD1-CD2 3.71Å; Y136-Y139 HydrophobicContact CD1-CD2 3.71Å; Y136-Y139 AromaticContact CD1-CE2 3.92Å; Y136-Y139 HydrophobicContact CD1-CE2 3.92Å; Y136-Y139 HydrophobicContact CE1-CE2 4.41Å; Y136-Y139 HydrophobicContact CG-CD2 4.48Å; Y136-Y139 PolarHBondContact O-N 3.47Å; Y136-I141 CarbonylContact C-O 3.27Å; Y136-I141 VanDerWaalsContact C-O 3.27Å; Y136-I141 PolarHBondContact O-N 3.19Å; Y136-V143 HydrophobicContact CD2-CG2 4.37Å
137A90.5Very high78.9Confident51 Ų5145 Ų4542%0.42126%0.255SS..G310 helixtrans-60.4-30.8-177.300000112.1D135 Y139 G140 T192D135-A137 WeakPolarHBondContact OD1-CB 3.08Å; D135-A137 PolarHBondContact OD1-N 3.44Å; A137-Y139 PolarHBondContact O-N 3.49Å; A137-Y139 VanDerWaalsContact O-N 3.09Å; A137-G140 PolarHBondContact O-N 3.46Å; A137-T192 HydrophobicContact CB-CG2 4.38Å
138K94Very high80.7Confident164 Ų16444.2 Ų44.271%0.71325%0.252SS*.G310 helixtrans-59.5-18.817369.6175.5177.6174.90114.4Y136Y136-K138 PolarHBondContact O-N 2.92Å
139Y96Very high82.4Confident97 Ų9739.6 Ų39.638%0.3822%0.224SC..G310 helixtrans-103.46.9174.5-57.4-72000112.8I104 G109 Y136 A137 I141I104-Y139 HydrophobicContact CD1-CD2 4.16Å; I104-Y139 HydrophobicContact CD1-CE2 4Å; I104-Y139 HydrophobicContact CG1-CD1 4.25Å; I104-Y139 HydrophobicContact CG1-CD2 4.01Å; I104-Y139 HydrophobicContact CG1-CE2 4.26Å; I104-Y139 HydrophobicContact CG1-CG 3.97Å; I104-Y139 HydrophobicContact CG2-CD1 4.19Å; I104-Y139 HydrophobicContact CG2-CE1 4.08Å; G109-Y139 WeakPolarHBondContact CA-O 3.47Å; Y136-Y139 AromaticContact CD1-CD2 3.71Å; Y136-Y139 HydrophobicContact CD1-CD2 3.71Å; Y136-Y139 AromaticContact CD1-CE2 3.92Å; Y136-Y139 HydrophobicContact CD1-CE2 3.92Å; Y136-Y139 HydrophobicContact CE1-CE2 4.41Å; Y136-Y139 HydrophobicContact CG-CD2 4.48Å; Y136-Y139 PolarHBondContact O-N 3.47Å; A137-Y139 PolarHBondContact O-N 3.49Å; A137-Y139 VanDerWaalsContact O-N 3.09Å; Y139-I141 PolarHBondContact O-N 3.12Å
140G96.3Very high84.1Confident46 Ų4641.1 Ų41.147%0.47423%0.226SC..THydrogen-bonded Turntrans68.420-172.300000113.6G109 G110 A137G109-G140 WeakPolarHBondContact CA-O 3.45Å; G110-G140 PolarHBondContact N-O 2.9Å; A137-G140 PolarHBondContact O-N 3.46Å
141I96.7Very high85.6Confident1 Ų141 Ų411%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-102.2123.8-179.7-55.2164.3000109.3L100 M103 I104 G110 I112 Y136 Y139 V143L100-I141 HydrophobicContact CD2-CD1 4.28Å; L100-I141 HydrophobicContact CD2-CG2 3.98Å; M103-I141 HydrophobicContact CB-CD1 3.52Å; M103-I141 HydrophobicContact CB-CG1 4.03Å; M103-I141 HydrophobicContact SD-CG2 3.93Å; I104-I141 HydrophobicContact CG1-CD1 3.78Å; G110-I141 CarbonylContact O-C 3.57Å; G110-I141 VanDerWaalsContact O-CA 3.3Å; G110-I141 WeakPolarHBondContact O-CA 3.39Å; I112-I141 HydrophobicContact CD1-CG2 4.45Å; I112-I141 HydrophobicContact CG1-CG2 4.46Å; Y136-I141 CarbonylContact C-O 3.27Å; Y136-I141 VanDerWaalsContact C-O 3.27Å; Y136-I141 PolarHBondContact O-N 3.19Å; Y139-I141 PolarHBondContact O-N 3.12Å; I141-V143 HydrophobicContact CG2-CG2 4.19Å
142R96.3Very high87Confident25 Ų2543.7 Ų43.79%0.09424%0.239CC..EExtended strand (participates in β ladder)trans-94.6133.8175.9-56.7-174.9-59.493.10.6109.8G110 A111 I112 L183 L184 S185 A188 S189 L191 T192G110-R142 PolarHBondContact O-N 3.27Å; A111-R142 CarbonylContact C-O 3.55Å; A111-R142 WeakPolarHBondContact CA-O 3.33Å; A111-R142 HydrophobicContact CB-CB 4.38Å; I112-R142 PolarHBondContact N-O 2.89Å; R142-L183 VanDerWaalsContact CZ-O 3.26Å; R142-L183 PolarHBondContact NH1-O 3.4Å; R142-L183 PolarHBondContact NH2-O 2.98Å; R142-L184 PolarHBondContact NH2-O 3.43Å; R142-S185 PolarHBondContact NH2-O 2.79Å; R142-A188 WeakPolarHBondContact CD-O 2.68Å; R142-A188 VanDerWaalsContact CZ-O 3.3Å; R142-A188 PolarHBondContact NE-O 2.59Å; R142-A188 PolarHBondContact NH1-O 2.87Å; R142-A188 VanDerWaalsContact NH1-O 3.1Å; R142-S189 WeakPolarHBondContact CD-O 3.47Å; R142-L191 PolarHBondContact NH1-O 2.99Å; R142-L191 VanDerWaalsContact NH1-O 3.13Å; R142-T192 WeakPolarHBondContact CA-OG1 3.36Å
143V94.5Very high88Confident0 Ų043.5 Ų43.50%024%0.236CC..EExtended strand (participates in β ladder)trans-131.9116.1177.3-172.30000108.9L96 L100 I112 Y136 I141 T192 G193L96-V143 HydrophobicContact CD1-CG1 4.16Å; L100-V143 HydrophobicContact CD2-CG2 4.32Å; I112-V143 HydrophobicContact CB-CG1 4.43Å; I112-V143 HydrophobicContact CB-CG2 4.36Å; I112-V143 WeakPolarHBondContact O-CA 2.98Å; Y136-V143 HydrophobicContact CD2-CG2 4.37Å; I141-V143 HydrophobicContact CG2-CG2 4.19Å; V143-T192 PolarHBondContact N-OG1 3.42Å; V143-T192 VanDerWaalsContact N-OG1 3.11Å; V143-G193 PolarHBondContact O-N 3.27Å
144N93.2Very high88.3Confident0 Ų046 Ų460%025%0.247CC..EExtended strand (participates in β ladder)trans-127.4164.6178.3-63.7-70.3000110.5I112 V113 N114 L183 L191 T192 G193 S194 Y196I112-N144 PolarHBondContact O-N 3Å; V113-N144 WeakPolarHBondContact CA-O 3.06Å; N114-N144 PolarHBondContact N-O 2.71Å; N144-L183 HydrophobicContact CB-CD1 4.37Å; N144-L191 PolarHBondContact ND2-O 3.37Å; N144-T192 VanDerWaalsContact OD1-CA 3.26Å; N144-T192 WeakPolarHBondContact OD1-CA 3.43Å; N144-G193 PolarHBondContact OD1-N 3.06Å; N144-S194 WeakPolarHBondContact CA-O 3.49Å; N144-S194 WeakPolarHBondContact OD1-CB 3.49Å; N144-S194 PolarHBondContact OD1-N 3.1Å; N144-S194 VanDerWaalsContact OD1-N 3.11Å; N144-Y196 HydrophobicContact CB-CD2 4.34Å; N144-Y196 HydrophobicContact CB-CE2 4.03Å
145S91.6Very high88.3Confident0 Ų043.6 Ų43.60%024%0.24CC..EExtended strand (participates in β ladder)trans-121.1144.2169.873.90000112.5N114 N147 S194 Y196N114-S145 CarbonylContact O-C 3.54Å; N114-S145 WeakPolarHBondContact O-CA 3.45Å; N114-S145 WeakPolarHBondContact O-CB 3.49Å; S145-N147 PolarHBondContact OG-OD1 2.98Å; S145-S194 PolarHBondContact N-O 3.03Å; S145-Y196 PolarHBondContact O-N 3.01Å
146V91.8Very high88Confident0 Ų039.2 Ų39.20%022%0.216CC..EExtended strand (participates in β ladder)trans-108.4113.7170.2173.20000108.1V113 N114 I115 A116 M148 I179 I180 L183 T198V113-V146 HydrophobicContact CG1-CB 4.35Å; V113-V146 HydrophobicContact CG1-CG2 3.79Å; N114-V146 PolarHBondContact O-N 3.49Å; I115-V146 HydrophobicContact CD1-CB 4.08Å; A116-V146 PolarHBondContact N-O 3.17Å; V146-M148 HydrophobicContact CG1-CE 4.44Å; V146-I179 HydrophobicContact CG1-CG2 4.4Å; V146-I180 HydrophobicContact CB-CG1 4.48Å; V146-I180 HydrophobicContact CG2-CG1 4.07Å; V146-L183 HydrophobicContact CG2-CD1 3.53Å; V146-T198 HydrophobicContact CG1-CG2 3.76Å; V146-T198 VanDerWaalsContact CG1-OG1 3.24Å; V146-T198 WeakPolarHBondContact CG1-OG1 3.15Å
147N88.2Confident86.7Confident0 Ų040.4 Ų40.40%023%0.226CC..EExtended strand (participates in β ladder)trans-102.290.1-175.3-71.648.1000108.9A116 S117 I121 T131 S145 V195 Y196 A197 T198A116-N147 HydrophobicContact CB-CB 4.47Å; A116-N147 WeakPolarHBondContact CB-OD1 3.43Å; S117-N147 PolarHBondContact O-ND2 3.37Å; I121-N147 HydrophobicContact CD1-CB 3.51Å; I121-N147 HydrophobicContact CG1-CB 4.04Å; I121-N147 VanDerWaalsContact CG1-ND2 3.35Å; I121-N147 WeakPolarHBondContact CG1-ND2 3.48Å; T131-N147 VanDerWaalsContact CG2-ND2 3.27Å; T131-N147 WeakPolarHBondContact CG2-ND2 3.11Å; S145-N147 PolarHBondContact OG-OD1 2.98Å; N147-V195 HydrophobicContact CB-CG1 4.38Å; N147-V195 WeakPolarHBondContact OD1-CG1 3.45Å; N147-Y196 PolarHBondContact N-O 3.42Å; N147-A197 WeakPolarHBondContact O-CA 3.06Å; N147-T198 PolarHBondContact O-N 3.06Å
148M86.5Confident85.5Confident22 Ų2243.9 Ų43.911%0.10824%0.236CC..EExtended strand (participates in β ladder)trans-82.1148-172.163.3-164.151.600113.1I9 I115 A116 S117 A118 V146 T198I9-M148 HydrophobicContact CD1-CE 3.49Å; I9-M148 VanDerWaalsContact CD1-CE 3.49Å; I9-M148 HydrophobicContact CD1-SD 3.29Å; I9-M148 WeakPolarHBondContact CD1-SD 3.12Å; I115-M148 HydrophobicContact CB-CE 4.26Å; I115-M148 HydrophobicContact CD1-CE 3.69Å; I115-M148 HydrophobicContact CG1-CE 4.17Å; I115-M148 HydrophobicContact CG2-CE 3.3Å; I115-M148 HydrophobicContact CG2-SD 3.86Å; A116-M148 WeakPolarHBondContact O-CG 3.43Å; A116-M148 PolarHBondContact O-N 2.89Å; S117-M148 WeakPolarHBondContact CA-O 3.32Å; A118-M148 WeakPolarHBondContact CB-O 3.26Å; A118-M148 PolarHBondContact N-O 2.88Å; V146-M148 HydrophobicContact CG1-CE 4.44Å; M148-T198 WeakPolarHBondContact CA-OG1 3.19Å
149G83Confident84.2Confident16 Ų1640.8 Ų40.817%0.16522%0.224CC..  trans-75.7-161157.800000110.8T151 T198G149-T151 PolarHBondContact O-N 3.42Å; G149-T198 PolarHBondContact N-O 2.97Å; G149-T198 VanDerWaalsContact N-O 3.15Å
150N83.9Confident82.6Confident83 Ų8339.9 Ų39.944%0.44423%0.226SC..  trans-67.5129176.3-68.4-28000110.7L156 L170 S171N150-L156 HydrophobicContact CB-CD1 4.34Å; N150-L156 HydrophobicContact CB-CD2 3.9Å; N150-L170 HydrophobicContact CB-CD2 3.35Å; N150-S171 PolarHBondContact O-N 3.39Å; N150-S171 PolarHBondContact O-OG 3.41Å
151T86.1Confident80.6Confident6 Ų639.4 Ų39.44%0.03722%0.221CC..BIsolated β-bridgetrans-117.5132.3176.9-54.80000110.3I9 G149 T153 L156 S171 V173 Q176I9-T151 HydrophobicContact CD1-CG2 3.96Å; I9-T151 HydrophobicContact CG1-CG2 3.97Å; G149-T151 PolarHBondContact O-N 3.42Å; T151-T153 HydrophobicContact CG2-CG2 4.08Å; T151-T153 PolarHBondContact O-N 3.26Å; T151-T153 PolarHBondContact O-OG1 3.2Å; T151-L156 VanDerWaalsContact O-CD2 3.28Å; T151-L156 WeakPolarHBondContact O-CD2 3.42Å; T151-S171 CarbonylContact C-O 3.56Å; T151-S171 VanDerWaalsContact CA-O 3.26Å; T151-S171 WeakPolarHBondContact CA-O 3.44Å; T151-S171 WeakPolarHBondContact CA-OG 3.36Å; T151-S171 WeakPolarHBondContact CG2-O 3.39Å; T151-S171 PolarHBondContact OG1-OG 2.96Å; T151-V173 HydrophobicContact CG2-CG1 4.12Å; T151-Q176 HydrophobicContact CG2-CG 3.76Å; T151-Q176 WeakPolarHBondContact OG1-CG 3.45Å
152D87.1Confident78.5Confident90 Ų9046.3 Ų46.348%0.48126%0.256SS..  trans-62.498.2179-170.912.6000110.8L170 S171 V173D152-L170 HydrophobicContact CB-CB 4.05Å; D152-L170 HydrophobicContact CB-CD1 4Å; D152-S171 PolarHBondContact N-O 2.91Å; D152-V173 WeakPolarHBondContact O-CG1 3.34Å
153T82.3Confident76.1Confident20 Ų2053.4 Ų53.412%0.12329%0.29CS..SBendtrans-147151-177.359.50000109.7I9 T151 A155 L156 L157 V173I9-T153 HydrophobicContact CG1-CG2 4.23Å; T151-T153 HydrophobicContact CG2-CG2 4.08Å; T151-T153 PolarHBondContact O-N 3.26Å; T151-T153 PolarHBondContact O-OG1 3.2Å; T153-A155 PolarHBondContact O-N 3.37Å; T153-A155 VanDerWaalsContact O-N 3.1Å; T153-L156 PolarHBondContact O-N 3.24Å; T153-L156 PolarHBondContact OG1-N 3.09Å; T153-L157 PolarHBondContact O-N 2.87Å; T153-V173 HydrophobicContact CG2-CG1 3.62Å
154D75.3Confident74.1Confident91 Ų9156 Ų5649%0.48731%0.312SS..Hα-helixtrans-51.5-35.9171.6-62.2-11.7000112.4L157 I158D154-L157 PolarHBondContact O-N 3.14Å; D154-I158 WeakPolarHBondContact O-CD1 3.47Å; D154-I158 VanDerWaalsContact O-CG1 3.23Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.41Å; D154-I158 VanDerWaalsContact O-N 3.09Å
155A72Confident72.3Confident30 Ų3064.4 Ų64.425%0.24835%0.351CS..Hα-helixtrans-63.9-43.4-179.500000111.9T153 L157 I158 E159T153-A155 PolarHBondContact O-N 3.37Å; T153-A155 VanDerWaalsContact O-N 3.1Å; A155-L157 PolarHBondContact O-N 3.47Å; A155-I158 PolarHBondContact O-N 3.36Å; A155-E159 WeakPolarHBondContact O-CB 3.43Å; A155-E159 PolarHBondContact O-N 2.96Å
156L71.1Confident70.9Confident24 Ų2466.6 Ų66.613%0.12637%0.365CS..Hα-helixtrans-63.3-42177.7-17572.8000111.7N150 T151 T153 I158 E159 N160 L170N150-L156 HydrophobicContact CB-CD1 4.34Å; N150-L156 HydrophobicContact CB-CD2 3.9Å; T151-L156 VanDerWaalsContact O-CD2 3.28Å; T151-L156 WeakPolarHBondContact O-CD2 3.42Å; T153-L156 PolarHBondContact O-N 3.24Å; T153-L156 PolarHBondContact OG1-N 3.09Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.49Å; L156-E159 PolarHBondContact O-N 2.92Å; L156-N160 WeakPolarHBondContact CD1-ND2 3.29Å; L156-N160 PolarHBondContact O-N 2.96Å; L156-L170 HydrophobicContact CD2-CD1 4.04Å; L156-L170 HydrophobicContact CD2-CD2 3.71Å
157L64.4Low69.7Low82 Ų8277 Ų7743%0.42941%0.41SS..Hα-helixtrans-64.7-36.8179.2-65.9174.7000112T153 D154 A155 G161T153-L157 PolarHBondContact O-N 2.87Å; D154-L157 PolarHBondContact O-N 3.14Å; A155-L157 PolarHBondContact O-N 3.47Å; L157-G161 CarbonylContact O-C 3.47Å; L157-G161 WeakPolarHBondContact O-CA 3.35Å; L157-G161 PolarHBondContact O-N 3.13Å
158I64.9Low68.9Low124 Ų12482.1 Ų82.164%0.63643%0.43SS*.Hα-helixtrans-66.7-43.3174.3-68163.1000110.5D154 A155 L156D154-I158 WeakPolarHBondContact O-CD1 3.47Å; D154-I158 VanDerWaalsContact O-CG1 3.23Å; D154-I158 WeakPolarHBondContact O-CG1 3.37Å; D154-I158 PolarHBondContact O-N 3.41Å; D154-I158 VanDerWaalsContact O-N 3.09Å; A155-I158 PolarHBondContact O-N 3.36Å; L156-I158 VanDerWaalsContact C-N 3.31Å; L156-I158 PolarHBondContact O-N 3.49Å
159E66.1Low68.6Low100 Ų10087.2 Ų87.247%0.46746%0.464SS..Hα-helixtrans-72.1-47.4-173.1-172.9170.5-177.100113.1S85 A155 L156 G161S85-E159 WeakPolarHBondContact CA-OE1 3.35Å; S85-E159 WeakPolarHBondContact CB-OE1 3.43Å; A155-E159 WeakPolarHBondContact O-CB 3.43Å; A155-E159 PolarHBondContact O-N 2.96Å; L156-E159 PolarHBondContact O-N 2.92Å; E159-G161 VanDerWaalsContact C-N 3.35Å
160N63.8Low68.8Low77 Ų7789 Ų8941%0.41247%0.47SS..Hα-helixtrans-88.5-6-175.8-68.8-37.1000113.8L156 A164L156-N160 WeakPolarHBondContact CD1-ND2 3.29Å; L156-N160 PolarHBondContact O-N 2.96Å; N160-A164 HydrophobicContact CB-CB 3.64Å
161G54.5Low69Low36 Ų3686 Ų8637%0.37146%0.455SS..  trans66.9157.8-163.600000112L157 E159 H163 A164L157-G161 CarbonylContact O-C 3.47Å; L157-G161 WeakPolarHBondContact O-CA 3.35Å; L157-G161 PolarHBondContact O-N 3.13Å; E159-G161 VanDerWaalsContact C-N 3.35Å; G161-H163 PolarHBondContact O-N 3.48Å; G161-A164 PolarHBondContact O-N 3.13Å
162I51.2Low69.3Low147 Ų14788.4 Ų88.475%0.75447%0.47SS*.THydrogen-bonded Turntrans-60.2-14-175.9-54.4172.2000112.4
163H46.6Very low69.6Low173 Ų17385.4 Ų85.480%0.80146%0.455SS*.THydrogen-bonded Turntrans-101.9-5.8-170.4-63.4-57.3000115.9G161 Q165G161-H163 PolarHBondContact O-N 3.48Å; H163-Q165 PolarHBondContact O-N 3.01Å
164A52.6Low70.1Confident55 Ų5590.7 Ų90.746%0.45547%0.473SS..  trans-77.294.617500000110.2N160 G161 P166N160-A164 HydrophobicContact CB-CB 3.64Å; G161-A164 PolarHBondContact O-N 3.13Å; A164-P166 VanDerWaalsContact O-CD 3.25Å; A164-P166 WeakPolarHBondContact O-CD 3.32Å
165Q55.3Low71Confident176 Ų17691.7 Ų91.782%0.82248%0.475SS*.  trans-67.5113.3172.2-74-80.4-7.300109.2H163 K167H163-Q165 PolarHBondContact O-N 3.01Å; Q165-K167 PolarHBondContact O-N 3.4Å
166P62.1Low72.1Confident47 Ų4790.4 Ų90.431%0.30546%0.463SS..  trans-67.3134.8179.629.4-33.7000109.3A164 R168 L170A164-P166 VanDerWaalsContact O-CD 3.25Å; A164-P166 WeakPolarHBondContact O-CD 3.32Å; P166-R168 WeakPolarHBondContact CB-O 3.22Å; P166-R168 PolarHBondContact O-N 3.25Å; P166-R168 VanDerWaalsContact O-N 3.12Å; P166-L170 HydrophobicContact CB-CD2 3.76Å; P166-L170 HydrophobicContact CB-CG 4.45Å; P166-L170 HydrophobicContact CG-CD1 4.42Å; P166-L170 HydrophobicContact CG-CD2 3.63Å; P166-L170 HydrophobicContact CG-CG 3.8Å
167K67.4Low73.3Confident218 Ų21889.3 Ų89.395%0.94846%0.458SS*.SBendtrans-64.5-15.1-179.6-68.9-175.7178.4-1800113.7Q165Q165-K167 PolarHBondContact O-N 3.4Å
168R69.7Low74.8Confident108 Ų10889 Ų8941%0.40846%0.463SS..SBendtrans-131153.7175.9-73.1-173.7166.7113.6-5.4108.9P166 L170P166-R168 WeakPolarHBondContact CB-O 3.22Å; P166-R168 PolarHBondContact O-N 3.25Å; P166-R168 VanDerWaalsContact O-N 3.12Å; R168-L170 PolarHBondContact O-N 3.33Å
169P81.6Confident76.3Confident128 Ų12885 Ų8583%0.83144%0.442SS*.PPolyproline II helixtrans-50.2138.9172.1-25.534.3000111.2
170L85.8Confident77.8Confident53 Ų5380.2 Ų80.228%0.27742%0.42SS..PPolyproline II helixtrans-67.5140.3172.8-62.3-179.5000109.4N150 D152 L156 P166 R168N150-L170 HydrophobicContact CB-CD2 3.35Å; D152-L170 HydrophobicContact CB-CB 4.05Å; D152-L170 HydrophobicContact CB-CD1 4Å; L156-L170 HydrophobicContact CD2-CD1 4.04Å; L156-L170 HydrophobicContact CD2-CD2 3.71Å; P166-L170 HydrophobicContact CB-CD2 3.76Å; P166-L170 HydrophobicContact CB-CG 4.45Å; P166-L170 HydrophobicContact CG-CD1 4.42Å; P166-L170 HydrophobicContact CG-CD2 3.63Å; P166-L170 HydrophobicContact CG-CG 3.8Å; R168-L170 PolarHBondContact O-N 3.33Å
171S89.2Confident79.5Confident20 Ų2078.1 Ų78.114%0.1441%0.409CS..BIsolated β-bridgetrans-68.7145.6164.253.20000109.8N150 T151 D152 E175 Q176N150-S171 PolarHBondContact O-N 3.39Å; N150-S171 PolarHBondContact O-OG 3.41Å; T151-S171 CarbonylContact C-O 3.56Å; T151-S171 VanDerWaalsContact CA-O 3.26Å; T151-S171 WeakPolarHBondContact CA-O 3.44Å; T151-S171 WeakPolarHBondContact CA-OG 3.36Å; T151-S171 WeakPolarHBondContact CG2-O 3.39Å; T151-S171 PolarHBondContact OG1-OG 2.96Å; D152-S171 PolarHBondContact N-O 2.91Å; S171-E175 WeakPolarHBondContact CA-OE2 3.39Å; S171-Q176 PolarHBondContact OG-NE2 2.77Å
172T92.1Very high81.6Confident58 Ų5879.4 Ų79.436%0.35641%0.407SS..PPolyproline II helixtrans-78.4156.3170.566.50000110.4W174 E175 Q176T172-W174 PolarHBondContact O-N 2.74Å; T172-W174 VanDerWaalsContact O-N 3.17Å; T172-W174 PolarHBondContact OG1-N 3.25Å; T172-E175 PolarHBondContact N-OE2 3.42Å; T172-E175 PolarHBondContact O-N 2.86Å; T172-E175 WeakPolarHBondContact OG1-CG 3.46Å; T172-E175 PolarHBondContact OG1-N 3Å; T172-E175 VanDerWaalsContact OG1-N 3.09Å; T172-E175 PolarHBondContact OG1-OE2 3.11Å; T172-Q176 PolarHBondContact O-N 3.41Å
173V93.2Very high83.7Confident27 Ų2772.5 Ų72.516%0.16437%0.371CS..Hα-helixtrans-58.6-26.2170.8-65.30000112.8I9 A12 T151 D152 T153 A177I9-V173 HydrophobicContact CG1-CG1 4.23Å; A12-V173 HydrophobicContact CB-CB 3.8Å; A12-V173 HydrophobicContact CB-CG2 3.82Å; T151-V173 HydrophobicContact CG2-CG1 4.12Å; D152-V173 WeakPolarHBondContact O-CG1 3.34Å; T153-V173 HydrophobicContact CG2-CG1 3.62Å; V173-A177 VanDerWaalsContact O-CB 3.26Å; V173-A177 WeakPolarHBondContact O-CB 3.49Å; V173-A177 PolarHBondContact O-N 3.12Å
174W94Very high86.2Confident130 Ų13064.9 Ų64.949%0.49234%0.336SS..Hα-helixtrans-78.4-35.4-178.8-58.7116.4000112.8A12 R16 T172 Q176 A177 S178A12-W174 HydrophobicContact CB-CE3 4.13Å; A12-W174 HydrophobicContact CB-CH2 4.28Å; A12-W174 HydrophobicContact CB-CZ3 3.93Å; R16-W174 HydrophobicContact CB-CZ3 4.35Å; T172-W174 PolarHBondContact O-N 2.74Å; T172-W174 VanDerWaalsContact O-N 3.17Å; T172-W174 PolarHBondContact OG1-N 3.25Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; W174-A177 PolarHBondContact O-N 3.01Å; W174-S178 WeakPolarHBondContact O-CB 3.36Å; W174-S178 PolarHBondContact O-N 3.35Å; W174-S178 PolarHBondContact O-OG 2.81Å
175E94.1Very high88.4Confident112 Ų11263.8 Ų63.852%0.52333%0.325SS..Hα-helixtrans-61.5-44.4170.5-74.7165.3130.900110.3S171 T172 S178S171-E175 WeakPolarHBondContact CA-OE2 3.39Å; T172-E175 PolarHBondContact N-OE2 3.42Å; T172-E175 PolarHBondContact O-N 2.86Å; T172-E175 WeakPolarHBondContact OG1-CG 3.46Å; T172-E175 PolarHBondContact OG1-N 3Å; T172-E175 VanDerWaalsContact OG1-N 3.09Å; T172-E175 PolarHBondContact OG1-OE2 3.11Å; E175-S178 PolarHBondContact O-N 3.15Å
176Q94.6Very high90.3Very high3 Ų361.2 Ų61.21%0.01432%0.317CS..Hα-helixtrans-66.3-43.5175.2-59.6-59-2100112.1I9 T151 S171 T172 W174 S178 I179 I180 T198I9-Q176 HydrophobicContact CD1-CB 4.21Å; I9-Q176 HydrophobicContact CD1-CG 4.12Å; I9-Q176 HydrophobicContact CG1-CB 4.29Å; I9-Q176 HydrophobicContact CG2-CB 4.13Å; T151-Q176 HydrophobicContact CG2-CG 3.76Å; T151-Q176 WeakPolarHBondContact OG1-CG 3.45Å; S171-Q176 PolarHBondContact OG-NE2 2.77Å; T172-Q176 PolarHBondContact O-N 3.41Å; W174-Q176 VanDerWaalsContact C-N 3.32Å; Q176-S178 VanDerWaalsContact C-N 3.29Å; Q176-S178 PolarHBondContact O-N 3.45Å; Q176-I179 WeakPolarHBondContact O-CG2 3.49Å; Q176-I180 WeakPolarHBondContact O-CD1 3.5Å; Q176-I180 WeakPolarHBondContact O-CG1 3.28Å; Q176-I180 PolarHBondContact O-N 2.91Å; Q176-T198 PolarHBondContact NE2-O 2.93Å; Q176-T198 VanDerWaalsContact OE1-CB 3.29Å; Q176-T198 PolarHBondContact OE1-OG1 3.38Å
177A96.1Very high92Very high2 Ų266.7 Ų66.72%0.01734%0.339CS..Hα-helixtrans-62.8-35179.500000112.9A12 V13 V173 W174 I180 L181A12-A177 HydrophobicContact CB-CB 4.3Å; V13-A177 HydrophobicContact CG2-CB 3.71Å; V173-A177 VanDerWaalsContact O-CB 3.26Å; V173-A177 WeakPolarHBondContact O-CB 3.49Å; V173-A177 PolarHBondContact O-N 3.12Å; W174-A177 PolarHBondContact O-N 3.01Å; A177-I180 PolarHBondContact O-N 3.25Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 VanDerWaalsContact O-CG 3.26Å; A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 3.26Å
178S96.4Very high93.4Very high76 Ų7656.3 Ų56.353%0.53129%0.293SS..Hα-helixtrans-63.1-49.8-177.5-60.70000112.1W174 E175 Q176 L181 L182W174-S178 WeakPolarHBondContact O-CB 3.36Å; W174-S178 PolarHBondContact O-N 3.35Å; W174-S178 PolarHBondContact O-OG 2.81Å; E175-S178 PolarHBondContact O-N 3.15Å; Q176-S178 VanDerWaalsContact C-N 3.29Å; Q176-S178 PolarHBondContact O-N 3.45Å; S178-L181 PolarHBondContact O-N 3.46Å; S178-L182 PolarHBondContact O-N 3.36Å
179I96.7Very high94.7Very high38 Ų3855.3 Ų55.320%0.19530%0.303CS..Hα-helixtrans-68.6-36.6177.9-177.859.1000112V146 Q176 L181 L182 L183 T198V146-I179 HydrophobicContact CG1-CG2 4.4Å; Q176-I179 WeakPolarHBondContact O-CG2 3.49Å; I179-L181 VanDerWaalsContact C-N 3.35Å; I179-L181 PolarHBondContact O-N 3.5Å; I179-L182 HydrophobicContact CD1-CD2 4.01Å; I179-L182 PolarHBondContact O-N 2.98Å; I179-L183 HydrophobicContact CD1-CD1 4.36Å; I179-L183 HydrophobicContact CD1-CG 4.21Å; I179-L183 HydrophobicContact CG1-CD1 4.2Å; I179-L183 HydrophobicContact CG1-CG 4.48Å; I179-L183 WeakPolarHBondContact O-CB 3.26Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.42Å; I179-T198 HydrophobicContact CB-CG2 4.46Å; I179-T198 HydrophobicContact CG1-CG2 4.19Å; I179-T198 HydrophobicContact CG2-CG2 3.72Å
180I97.6Very high95.3Very high0 Ų056.5 Ų56.50%030%0.302CS..Hα-helixtrans-60.3-46.6174.5-67.8161.3000110.5I9 V13 L79 V113 I115 V146 Q176 A177 L183 L184I9-I180 HydrophobicContact CG2-CD1 3.58Å; V13-I180 HydrophobicContact CG1-CG2 4.16Å; V13-I180 HydrophobicContact CG2-CB 4.17Å; V13-I180 HydrophobicContact CG2-CD1 3.83Å; V13-I180 HydrophobicContact CG2-CG2 3.97Å; L79-I180 HydrophobicContact CD1-CD1 4.4Å; L79-I180 HydrophobicContact CD1-CG2 3.78Å; L79-I180 HydrophobicContact CD2-CG2 4.13Å; L79-I180 HydrophobicContact CG-CG2 4.46Å; V113-I180 HydrophobicContact CB-CG2 4.39Å; V113-I180 HydrophobicContact CG1-CG1 4.27Å; V113-I180 HydrophobicContact CG1-CG2 4.23Å; I115-I180 HydrophobicContact CD1-CD1 3.67Å; I115-I180 HydrophobicContact CD1-CG1 4.07Å; V146-I180 HydrophobicContact CB-CG1 4.48Å; V146-I180 HydrophobicContact CG2-CG1 4.07Å; Q176-I180 WeakPolarHBondContact O-CD1 3.5Å; Q176-I180 WeakPolarHBondContact O-CG1 3.28Å; Q176-I180 PolarHBondContact O-N 2.91Å; A177-I180 PolarHBondContact O-N 3.25Å; I180-L183 PolarHBondContact O-N 2.98Å; I180-L184 HydrophobicContact CG2-CD1 3.98Å; I180-L184 HydrophobicContact CG2-CG 4.5Å; I180-L184 WeakPolarHBondContact O-CG 3.15Å; I180-L184 PolarHBondContact O-N 2.72Å
181L98.3Very high95.7Very high34 Ų3456.8 Ų56.818%0.17830%0.304CS..Hα-helixtrans-67.8-39-179.8-71.8169.6000112.7V13 R16 A17 A177 S178 I179 L183 L184 S185V13-L181 HydrophobicContact CG1-CD2 4.05Å; V13-L181 HydrophobicContact CG1-CG 4.43Å; R16-L181 HydrophobicContact CB-CD1 3.73Å; R16-L181 HydrophobicContact CG-CD1 3.2Å; A17-L181 HydrophobicContact CB-CD2 3.89Å; A177-L181 WeakPolarHBondContact O-CB 3.45Å; A177-L181 VanDerWaalsContact O-CG 3.26Å; A177-L181 WeakPolarHBondContact O-CG 3.43Å; A177-L181 PolarHBondContact O-N 3.26Å; S178-L181 PolarHBondContact O-N 3.46Å; I179-L181 VanDerWaalsContact C-N 3.35Å; I179-L181 PolarHBondContact O-N 3.5Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 3.31Å; L181-L184 PolarHBondContact O-N 2.86Å; L181-S185 WeakPolarHBondContact O-CB 3.26Å; L181-S185 PolarHBondContact O-N 2.6Å
182L98.2Very high95.8Very high63 Ų6358 Ų5833%0.3331%0.311SS..Hα-helixtrans-55-50.2170171.561.4000110.4S178 I179 L184 S185 E187 A188S178-L182 PolarHBondContact O-N 3.36Å; I179-L182 HydrophobicContact CD1-CD2 4.01Å; I179-L182 PolarHBondContact O-N 2.98Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.23Å; L182-S185 PolarHBondContact O-N 3.08Å; L182-S185 PolarHBondContact O-OG 2.68Å; L182-S185 VanDerWaalsContact O-OG 3.12Å; L182-E187 HydrophobicContact CD1-CB 3.71Å; L182-E187 WeakPolarHBondContact CD1-OE2 3.44Å; L182-A188 WeakPolarHBondContact O-CB 3.16Å
183L97.4Very high95.7Very high1 Ų157.1 Ų57.11%0.00531%0.313CS..Hα-helixtrans-66.8-25.4-178.7-69175000113.4V113 R142 N144 V146 I179 I180 L181 A188 L191 Y196V113-L183 HydrophobicContact CG2-CB 3.63Å; V113-L183 HydrophobicContact CG2-CD1 4.49Å; R142-L183 VanDerWaalsContact CZ-O 3.26Å; R142-L183 PolarHBondContact NH1-O 3.4Å; R142-L183 PolarHBondContact NH2-O 2.98Å; N144-L183 HydrophobicContact CB-CD1 4.37Å; V146-L183 HydrophobicContact CG2-CD1 3.53Å; I179-L183 HydrophobicContact CD1-CD1 4.36Å; I179-L183 HydrophobicContact CD1-CG 4.21Å; I179-L183 HydrophobicContact CG1-CD1 4.2Å; I179-L183 HydrophobicContact CG1-CG 4.48Å; I179-L183 WeakPolarHBondContact O-CB 3.26Å; I179-L183 VanDerWaalsContact O-CG 3.28Å; I179-L183 WeakPolarHBondContact O-CG 3.43Å; I179-L183 PolarHBondContact O-N 3.42Å; I180-L183 PolarHBondContact O-N 2.98Å; L181-L183 VanDerWaalsContact C-N 3.31Å; L181-L183 PolarHBondContact O-N 3.31Å; L183-A188 HydrophobicContact CD2-CB 4.46Å; L183-L191 HydrophobicContact CD2-CB 4.46Å; L183-L191 HydrophobicContact CD2-CD1 3.99Å; L183-Y196 HydrophobicContact CD1-CD2 3.59Å; L183-Y196 HydrophobicContact CD1-CE2 3.98Å; L183-Y196 HydrophobicContact CD1-CG 4.1Å; L183-Y196 HydrophobicContact CD2-CD2 3.93Å; L183-Y196 HydrophobicContact CD2-CE1 4.32Å; L183-Y196 HydrophobicContact CD2-CE2 3.46Å; L183-Y196 VanDerWaalsContact CD2-CE2 3.46Å; L183-Y196 HydrophobicContact CG-CD2 4.42Å; L183-Y196 HydrophobicContact CG-CE2 4.39Å
184L98.1Very high95.5Very high14 Ų1457.9 Ų57.97%0.07332%0.32CS..Hα-helixtrans-80-31.9173.7-69.6172.4000112.6Y77 A78 A111 V113 R142 I180 L181 L182Y77-L184 HydrophobicContact CD1-CB 4.23Å; Y77-L184 VanDerWaalsContact CD1-O 3.23Å; Y77-L184 WeakPolarHBondContact CD1-O 3.33Å; Y77-L184 WeakPolarHBondContact CE1-O 3.48Å; A78-L184 WeakPolarHBondContact O-CD2 3.38Å; A111-L184 HydrophobicContact CB-CD2 4.17Å; A111-L184 WeakPolarHBondContact CB-O 3.3Å; A111-L184 WeakPolarHBondContact O-CD2 3.36Å; V113-L184 HydrophobicContact CB-CD2 4.25Å; V113-L184 HydrophobicContact CG2-CD2 3.75Å; V113-L184 HydrophobicContact CG2-CG 3.86Å; R142-L184 PolarHBondContact NH2-O 3.43Å; I180-L184 HydrophobicContact CG2-CD1 3.98Å; I180-L184 HydrophobicContact CG2-CG 4.5Å; I180-L184 WeakPolarHBondContact O-CG 3.15Å; I180-L184 PolarHBondContact O-N 2.72Å; L181-L184 PolarHBondContact O-N 2.86Å; L182-L184 VanDerWaalsContact C-N 3.26Å; L182-L184 PolarHBondContact O-N 3.23Å
185S97.8Very high95.2Very high32 Ų3254.6 Ų54.622%0.22431%0.314CS..SBendtrans-77.3171.1-174.180.50000114.1R142 L181 L182 E187 A188R142-S185 PolarHBondContact NH2-O 2.79Å; L181-S185 WeakPolarHBondContact O-CB 3.26Å; L181-S185 PolarHBondContact O-N 2.6Å; L182-S185 PolarHBondContact O-N 3.08Å; L182-S185 PolarHBondContact O-OG 2.68Å; L182-S185 VanDerWaalsContact O-OG 3.12Å; S185-E187 PolarHBondContact O-N 3.44Å; S185-E187 WeakPolarHBondContact OG-CB 3.28Å; S185-E187 PolarHBondContact OG-N 3.24Å; S185-A188 PolarHBondContact O-N 3.48Å; S185-A188 VanDerWaalsContact O-N 3.17Å
186D96.2Very high95.1Very high122 Ų12251.8 Ų51.865%0.65230%0.299SS*.G310 helixtrans-67.4-16.5175-67.2-29.9000113.4A188 S189D186-A188 PolarHBondContact O-N 3.33Å; D186-S189 WeakPolarHBondContact O-CB 3.36Å; D186-S189 PolarHBondContact O-N 3.45Å; D186-S189 PolarHBondContact O-OG 3.03Å
187E97.8Very high94.8Very high161 Ų16153.9 Ų53.975%0.75232%0.317SS*.G310 helixtrans-63.1-24.8172.6-60.7178.517900111.4L182 S185L182-E187 HydrophobicContact CD1-CB 3.71Å; L182-E187 WeakPolarHBondContact CD1-OE2 3.44Å; S185-E187 PolarHBondContact O-N 3.44Å; S185-E187 WeakPolarHBondContact OG-CB 3.28Å; S185-E187 PolarHBondContact OG-N 3.24Å
188A96.9Very high94.6Very high0 Ų055 Ų550%032%0.324CS..G310 helixtrans-97.222.7173.100000113.5R142 L182 L183 S185 D186 N190 L191R142-A188 WeakPolarHBondContact CD-O 2.68Å; R142-A188 VanDerWaalsContact CZ-O 3.3Å; R142-A188 PolarHBondContact NE-O 2.59Å; R142-A188 PolarHBondContact NH1-O 2.87Å; R142-A188 VanDerWaalsContact NH1-O 3.1Å; L182-A188 WeakPolarHBondContact O-CB 3.16Å; L183-A188 HydrophobicContact CD2-CB 4.46Å; S185-A188 PolarHBondContact O-N 3.48Å; S185-A188 VanDerWaalsContact O-N 3.17Å; D186-A188 PolarHBondContact O-N 3.33Å; A188-N190 PolarHBondContact O-N 3.34Å; A188-L191 HydrophobicContact CB-CB 4.08Å; A188-L191 HydrophobicContact CB-CD1 3.82Å; A188-L191 HydrophobicContact CB-CG 4.14Å; A188-L191 WeakPolarHBondContact O-CB 3.49Å; A188-L191 PolarHBondContact O-N 3.5Å
189S95.9Very high94.2Very high87 Ų8752.3 Ų52.361%0.60830%0.303SS*.THydrogen-bonded Turntrans-55.3-28.1-175.848.90000114.7R142 D186R142-S189 WeakPolarHBondContact CD-O 3.47Å; D186-S189 WeakPolarHBondContact O-CB 3.36Å; D186-S189 PolarHBondContact O-N 3.45Å; D186-S189 PolarHBondContact O-OG 3.03Å
190N94.4Very high93.7Very high153 Ų15353.9 Ų53.982%0.81833%0.329SS*.THydrogen-bonded Turntrans-988.5176-161.639.9000114A188A188-N190 PolarHBondContact O-N 3.34Å
191L94.1Very high93.1Very high60 Ų6055.3 Ų55.331%0.31434%0.343SS..  trans-107.7108.2-177.8-53.2-176.3000109.7R142 N144 L183 A188 Y196R142-L191 PolarHBondContact NH1-O 2.99Å; R142-L191 VanDerWaalsContact NH1-O 3.13Å; N144-L191 PolarHBondContact ND2-O 3.37Å; L183-L191 HydrophobicContact CD2-CB 4.46Å; L183-L191 HydrophobicContact CD2-CD1 3.99Å; A188-L191 HydrophobicContact CB-CB 4.08Å; A188-L191 HydrophobicContact CB-CD1 3.82Å; A188-L191 HydrophobicContact CB-CG 4.14Å; A188-L191 WeakPolarHBondContact O-CB 3.49Å; A188-L191 PolarHBondContact O-N 3.5Å; L191-Y196 WeakPolarHBondContact CB-OH 3.28Å
192T93.1Very high92.3Very high45 Ų4557.4 Ų57.428%0.27635%0.349SS..  trans-151.1152.6173.6-168.90000110A137 R142 V143 N144 S194A137-T192 HydrophobicContact CB-CG2 4.38Å; R142-T192 WeakPolarHBondContact CA-OG1 3.36Å; V143-T192 PolarHBondContact N-OG1 3.42Å; V143-T192 VanDerWaalsContact N-OG1 3.11Å; N144-T192 VanDerWaalsContact OD1-CA 3.26Å; N144-T192 WeakPolarHBondContact OD1-CA 3.43Å; T192-S194 PolarHBondContact O-N 2.96Å
193G88.9Confident91.5Very high39 Ų3956.2 Ų56.240%0.40235%0.345SS..SBendtrans7510.6-18000000114.1V143 N144V143-G193 PolarHBondContact O-N 3.27Å; N144-G193 PolarHBondContact OD1-N 3.06Å
194S89.2Confident90.8Very high44 Ų4460.3 Ų60.331%0.30838%0.379SS..  trans-107.2148.4-170.7-67.70000113.2T133 N144 S145 T192 Y196T133-S194 WeakPolarHBondContact CG2-O 3.4Å; N144-S194 WeakPolarHBondContact CA-O 3.49Å; N144-S194 WeakPolarHBondContact OD1-CB 3.49Å; N144-S194 PolarHBondContact OD1-N 3.1Å; N144-S194 VanDerWaalsContact OD1-N 3.11Å; S145-S194 PolarHBondContact N-O 3.03Å; T192-S194 PolarHBondContact O-N 2.96Å; S194-Y196 WeakPolarHBondContact CB-OH 3.08Å
195V88.1Confident89.5Confident61 Ų6169 Ų6937%0.3741%0.412SS..EExtended strand (participates in β ladder)trans-108.4118.4176.9-179.60000108.4I121 T131 T133 N147I121-V195 HydrophobicContact CD1-CG1 3.9Å; I121-V195 HydrophobicContact CG1-CG1 4.06Å; T131-V195 HydrophobicContact CG2-CG1 4.09Å; T131-V195 HydrophobicContact CG2-CG2 4.33Å; T133-V195 HydrophobicContact CG2-CG2 4.36Å; N147-V195 HydrophobicContact CB-CG1 4.38Å; N147-V195 WeakPolarHBondContact OD1-CG1 3.45Å
196Y90.9Very high89.1Confident52 Ų5270.8 Ų70.820%0.20442%0.421CS..EExtended strand (participates in β ladder)trans-109.2113.1-177.3-64.4-88.9000110.8N144 S145 N147 L183 L191 S194N144-Y196 HydrophobicContact CB-CD2 4.34Å; N144-Y196 HydrophobicContact CB-CE2 4.03Å; S145-Y196 PolarHBondContact O-N 3.01Å; N147-Y196 PolarHBondContact N-O 3.42Å; L183-Y196 HydrophobicContact CD1-CD2 3.59Å; L183-Y196 HydrophobicContact CD1-CE2 3.98Å; L183-Y196 HydrophobicContact CD1-CG 4.1Å; L183-Y196 HydrophobicContact CD2-CD2 3.93Å; L183-Y196 HydrophobicContact CD2-CE1 4.32Å; L183-Y196 HydrophobicContact CD2-CE2 3.46Å; L183-Y196 VanDerWaalsContact CD2-CE2 3.46Å; L183-Y196 HydrophobicContact CG-CD2 4.42Å; L183-Y196 HydrophobicContact CG-CE2 4.39Å; L191-Y196 WeakPolarHBondContact CB-OH 3.28Å; S194-Y196 WeakPolarHBondContact CB-OH 3.08Å
197A89.7Confident88.7Confident48 Ų4868.1 Ų68.140%0.39741%0.409SS..EExtended strand (participates in β ladder)trans-73.6128.6172.300000110.8I121 N147 T203I121-A197 HydrophobicContact CD1-CB 3.74Å; N147-A197 WeakPolarHBondContact O-CA 3.06Å; A197-T203 WeakPolarHBondContact CB-OG1 3.39Å
198T90.7Very high88.2Confident26 Ų2662.9 Ų62.916%0.1639%0.39CS..EExtended strand (participates in β ladder)trans-13162.5179.157.70000109.7V146 N147 M148 G149 Q176 I179V146-T198 HydrophobicContact CG1-CG2 3.76Å; V146-T198 VanDerWaalsContact CG1-OG1 3.24Å; V146-T198 WeakPolarHBondContact CG1-OG1 3.15Å; N147-T198 PolarHBondContact O-N 3.06Å; M148-T198 WeakPolarHBondContact CA-OG1 3.19Å; G149-T198 PolarHBondContact N-O 2.97Å; G149-T198 VanDerWaalsContact N-O 3.15Å; Q176-T198 PolarHBondContact NE2-O 2.93Å; Q176-T198 VanDerWaalsContact OE1-CB 3.29Å; Q176-T198 PolarHBondContact OE1-OG1 3.38Å; I179-T198 HydrophobicContact CB-CG2 4.46Å; I179-T198 HydrophobicContact CG1-CG2 4.19Å; I179-T198 HydrophobicContact CG2-CG2 3.72Å
199D87.5Confident87.7Confident19 Ų1966.6 Ų66.610%0.10241%0.413CS..SBendtrans-131.714-157.870.23.1000114.6A118 G201 Y202 T203A118-D199 HydrophobicContact CB-CB 3.73Å; D199-G201 PolarHBondContact O-N 3.3Å; D199-G201 WeakPolarHBondContact OD1-CA 3.48Å; D199-G201 PolarHBondContact OD1-N 3Å; D199-Y202 VanDerWaalsContact CG-N 3.33Å; D199-Y202 WeakPolarHBondContact O-CB 3.25Å; D199-Y202 PolarHBondContact O-N 3.47Å; D199-Y202 PolarHBondContact OD1-N 3.25Å; D199-T203 VanDerWaalsContact OD2-CB 3.23Å; D199-T203 WeakPolarHBondContact OD2-CB 3.35Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.39Å; D199-T203 PolarHBondContact OD2-N 3.03Å; D199-T203 PolarHBondContact OD2-OG1 2.91Å
200G87.2Confident87.2Confident71 Ų7165.4 Ų65.473%0.73240%0.401SS*.THydrogen-bonded Turntrans63.528-178.400000113.6
201G85Confident86.7Confident29 Ų2959.5 Ų59.530%0.29937%0.373SS..THydrogen-bonded Turntrans81.221.9-177.500000113.3D199 T203 A204D199-G201 PolarHBondContact O-N 3.3Å; D199-G201 WeakPolarHBondContact OD1-CA 3.48Å; D199-G201 PolarHBondContact OD1-N 3Å; G201-T203 VanDerWaalsContact C-N 3.28Å; G201-T203 PolarHBondContact O-N 3.4Å; G201-A204 PolarHBondContact O-N 3.09Å
202Y81.6Confident86.1Confident78 Ų7859.5 Ų59.531%0.30638%0.377SS..THydrogen-bonded Turntrans-67.5-25.8173.8174.8-92.2000112.9A118 V122 D199 Y205A118-Y202 HydrophobicContact CB-CD1 3.87Å; A118-Y202 HydrophobicContact CB-CE1 4.4Å; V122-Y202 HydrophobicContact CG1-CD1 4.49Å; V122-Y202 HydrophobicContact CG1-CE1 4.04Å; V122-Y202 HydrophobicContact CG2-CE1 4.08Å; D199-Y202 VanDerWaalsContact CG-N 3.33Å; D199-Y202 WeakPolarHBondContact O-CB 3.25Å; D199-Y202 PolarHBondContact O-N 3.47Å; D199-Y202 PolarHBondContact OD1-N 3.25Å; Y202-Y205 AromaticContact CD2-CE1 3.94Å; Y202-Y205 HydrophobicContact CD2-CE1 3.94Å; Y202-Y205 HydrophobicContact CE2-CE1 4.06Å; Y202-Y205 HydrophobicContact CG-CE1 4.31Å; Y202-Y205 WeakPolarHBondContact O-CD1 3.23Å; Y202-Y205 WeakPolarHBondContact O-CE1 3.4Å
203T82Confident85.6Confident39 Ų3960.6 Ų60.624%0.23939%0.385CS..THydrogen-bonded Turntrans-95.1-1.6176.544.10000113.2A118 I121 V122 A197 D199 G201A118-T203 HydrophobicContact CB-CG2 4.09Å; I121-T203 HydrophobicContact CB-CG2 3.67Å; I121-T203 HydrophobicContact CD1-CG2 4.2Å; I121-T203 HydrophobicContact CG1-CG2 4.47Å; I121-T203 HydrophobicContact CG2-CG2 3.67Å; V122-T203 HydrophobicContact CG1-CG2 3.69Å; A197-T203 WeakPolarHBondContact CB-OG1 3.39Å; D199-T203 VanDerWaalsContact OD2-CB 3.23Å; D199-T203 WeakPolarHBondContact OD2-CB 3.35Å; D199-T203 WeakPolarHBondContact OD2-CG2 3.39Å; D199-T203 PolarHBondContact OD2-N 3.03Å; D199-T203 PolarHBondContact OD2-OG1 2.91Å; G201-T203 VanDerWaalsContact C-N 3.28Å; G201-T203 PolarHBondContact O-N 3.4Å
204A82.8Confident85.3Confident87 Ų8762.4 Ų62.472%0.71938%0.383SS*.  trans-99.518.8-171.500000114.4G201G201-A204 PolarHBondContact O-N 3.09Å
205Y69.4Low85Confident195 Ų19564.1 Ų64.177%0.76539%0.39SS*.  trans-112.10-178.166.7-107000113.4Y202Y202-Y205 AromaticContact CD2-CE1 3.94Å; Y202-Y205 HydrophobicContact CD2-CE1 3.94Å; Y202-Y205 HydrophobicContact CE2-CE1 4.06Å; Y202-Y205 HydrophobicContact CG-CE1 4.31Å; Y202-Y205 WeakPolarHBondContact O-CD1 3.23Å; Y202-Y205 WeakPolarHBondContact O-CE1 3.4Å

Retrieved 205 of 205 residues in 59.7 ms (Link to these results)

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