A0A077YWP2_TRITR Loading...

DnaJ subfamily A

AlphaFold DB , UniProt , Accession A0A077YWP2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 403 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
1M63.1Low84.8Confident242 Ų24277.9 Ų77.9100%1.19238%0.377SS*.  0128.90-98173.7153.400106.5
2V73.1Confident85.3Confident37 Ų3777.1 Ų77.122%0.22440%0.404CS..  trans-71.3136.1-179.2-177.60000108.9E4 Y8 P15 D65V2-E4 WeakPolarHBondContact CG1-O 3.44Å; V2-Y8 HydrophobicContact CG1-CD2 4.44Å; V2-Y8 HydrophobicContact CG1-CE2 3.88Å; V2-P15 HydrophobicContact CB-CB 4.38Å; V2-P15 HydrophobicContact CG2-CB 3.68Å; V2-D65 HydrophobicContact CG1-CB 4.2Å; V2-D65 WeakPolarHBondContact CG1-OD1 3.4Å; V2-D65 HydrophobicContact CG2-CB 4.39Å
3K79.7Confident85.9Confident146 Ų14673.1 Ų73.164%0.63538%0.384SS*.SBendtrans-67.8-40.1-174.4-154-173-170.5-179.80113D65 E66 G67K3-D65 PolarHBondContact N-O 3.28Å; K3-E66 WeakPolarHBondContact CD-O 2.98Å; K3-G67 PolarHBondContact NZ-O 2.93Å
4E84.1Confident86.2Confident72 Ų7272.7 Ų72.734%0.33639%0.391SS..  trans-134.6141.1176.5-72.1-173.715500111.5V2 G68 E69V2-E4 WeakPolarHBondContact CG1-O 3.44Å; E4-G68 WeakPolarHBondContact OE2-CA 3.28Å; E4-E69 WeakPolarHBondContact OE2-CB 3.34Å; E4-E69 PolarHBondContact OE2-N 2.79Å
5T86.9Confident86.4Confident56 Ų5670.7 Ų70.734%0.34438%0.383SS..  trans-104.90-177.547.90000114.3F7 Y8 E9 P15T5-F7 PolarHBondContact O-N 3.28Å; T5-Y8 WeakPolarHBondContact O-CA 3.4Å; T5-Y8 WeakPolarHBondContact O-CB 3.25Å; T5-Y8 PolarHBondContact O-N 3.14Å; T5-E9 WeakPolarHBondContact CB-OE1 3.26Å; T5-E9 WeakPolarHBondContact O-CG 3.48Å; T5-E9 PolarHBondContact O-N 2.98Å; T5-E9 PolarHBondContact OG1-OE1 3.29Å; T5-P15 HydrophobicContact CG2-CG 4.15Å
6K90Very high86.4Confident108 Ų10875.8 Ų75.847%0.4741%0.41SS..Hα-helixtrans-49.9-51.8-173.9-107.8176.6172.8177.90114.5Y8 E9 I10 Y64 E69K6-Y8 VanDerWaalsContact C-N 3.32Å; K6-Y8 PolarHBondContact O-N 2.91Å; K6-E9 PolarHBondContact O-N 2.74Å; K6-I10 VanDerWaalsContact O-CG1 3.29Å; K6-I10 WeakPolarHBondContact O-CG1 3.36Å; K6-I10 PolarHBondContact O-N 3.09Å; K6-Y64 PolarHBondContact N-OH 3.02Å; K6-E69 IonicContact NZ-OE2 2.76Å; K6-E69 PolarHBondContact NZ-OE2 3.07Å
7F90.5Very high86.4Confident4 Ų472.2 Ų72.22%0.01839%0.392CS..Hα-helixtrans-68.6-33-178.6-69.8-31.4000112.6T5 I10 L11 A51 V54 L55 Y64 E69 I72T5-F7 PolarHBondContact O-N 3.28Å; F7-I10 HydrophobicContact CD1-CD1 4.16Å; F7-L11 PolarHBondContact O-N 2.81Å; F7-A51 HydrophobicContact CB-CB 3.86Å; F7-A51 HydrophobicContact CD1-CB 3.63Å; F7-A51 HydrophobicContact CE1-CB 4.47Å; F7-A51 HydrophobicContact CG-CB 3.95Å; F7-V54 HydrophobicContact CD2-CB 4.08Å; F7-V54 HydrophobicContact CD2-CG1 3.84Å; F7-V54 HydrophobicContact CD2-CG2 4.42Å; F7-V54 HydrophobicContact CE2-CB 4.01Å; F7-V54 HydrophobicContact CE2-CG1 3.88Å; F7-V54 HydrophobicContact CE2-CG2 3.84Å; F7-V54 HydrophobicContact CZ-CG2 4.39Å; F7-L55 HydrophobicContact CB-CD1 3.64Å; F7-L55 HydrophobicContact CB-CG 4.07Å; F7-Y64 HydrophobicContact CB-CE1 3.94Å; F7-Y64 HydrophobicContact CD2-CD1 4.12Å; F7-Y64 AromaticContact CD2-CD2 3.66Å; F7-Y64 HydrophobicContact CD2-CD2 3.66Å; F7-Y64 AromaticContact CD2-CE1 3.77Å; F7-Y64 HydrophobicContact CD2-CE1 3.77Å; F7-Y64 AromaticContact CD2-CE2 3.28Å; F7-Y64 HydrophobicContact CD2-CE2 3.28Å; F7-Y64 HydrophobicContact CD2-CG 4.06Å; F7-Y64 AromaticContact CD2-CZ 3.33Å; F7-Y64 AromaticContact CE2-CD2 3.77Å; F7-Y64 HydrophobicContact CE2-CD2 3.77Å; F7-Y64 AromaticContact CE2-CE2 3.5Å; F7-Y64 HydrophobicContact CE2-CE2 3.5Å; F7-Y64 VanDerWaalsContact CE2-CE2 3.5Å; F7-Y64 HydrophobicContact CE2-CG 4.49Å; F7-Y64 HydrophobicContact CG-CE1 4.23Å; F7-Y64 HydrophobicContact CG-CE2 4.14Å; F7-Y64 AromaticContact CG-CZ 3.8Å; F7-Y64 HydrophobicContact CZ-CE2 4.5Å; F7-Y64 PolarHBondContact N-OH 3.2Å; F7-Y64 VanDerWaalsContact N-OH 3.08Å; F7-E69 HydrophobicContact CE2-CG 4.35Å; F7-E69 HydrophobicContact CZ-CG 3.89Å; F7-I72 HydrophobicContact CE2-CD1 3.93Å
8Y92.4Very high86.6Confident2 Ų271.2 Ų71.21%0.00839%0.391CS..Hα-helixtrans-66.9-41173.5-66-75.1000111.4V2 T5 K6 L11 G12 V13 P15 L55 R61 Y64 D65V2-Y8 HydrophobicContact CG1-CD2 4.44Å; V2-Y8 HydrophobicContact CG1-CE2 3.88Å; T5-Y8 WeakPolarHBondContact O-CA 3.4Å; T5-Y8 WeakPolarHBondContact O-CB 3.25Å; T5-Y8 PolarHBondContact O-N 3.14Å; K6-Y8 VanDerWaalsContact C-N 3.32Å; K6-Y8 PolarHBondContact O-N 2.91Å; Y8-L11 PolarHBondContact O-N 3.37Å; Y8-G12 PolarHBondContact O-N 3.36Å; Y8-V13 CarbonylContact C-O 3.54Å; Y8-V13 WeakPolarHBondContact CB-O 3.47Å; Y8-V13 HydrophobicContact CD1-CG2 4.17Å; Y8-V13 PolarHBondContact O-N 3.44Å; Y8-P15 HydrophobicContact CD2-CB 4.4Å; Y8-P15 HydrophobicContact CE2-CB 4.4Å; Y8-L55 HydrophobicContact CD1-CD1 3.89Å; Y8-L55 HydrophobicContact CD1-CD2 4.4Å; Y8-L55 HydrophobicContact CD2-CD2 4.47Å; Y8-L55 HydrophobicContact CE1-CD1 3.98Å; Y8-L55 HydrophobicContact CE1-CD2 3.75Å; Y8-L55 HydrophobicContact CE1-CG 4.48Å; Y8-L55 HydrophobicContact CE2-CD2 3.83Å; Y8-L55 HydrophobicContact CG-CD1 4.23Å; Y8-L55 VanDerWaalsContact CZ-CD2 3.43Å; Y8-R61 PolarHBondContact OH-NE 3.45Å; Y8-Y64 HydrophobicContact CD2-CE1 4.07Å; Y8-Y64 HydrophobicContact CE2-CD1 4.05Å; Y8-Y64 AromaticContact CE2-CE1 3.89Å; Y8-Y64 HydrophobicContact CE2-CE1 3.89Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.3Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.45Å; Y8-D65 PolarHBondContact OH-OD1 3.32Å; Y8-D65 PolarHBondContact OH-OD2 3.38Å
9E91.4Very high86.7Confident129 Ų12974.3 Ų74.360%0.60340%0.402SS*.Hα-helixtrans-65.9-42.8175.8-73.7170.3-157.600112.6T5 K6 L11 G12T5-E9 WeakPolarHBondContact CB-OE1 3.26Å; T5-E9 WeakPolarHBondContact O-CG 3.48Å; T5-E9 PolarHBondContact O-N 2.98Å; T5-E9 PolarHBondContact OG1-OE1 3.29Å; K6-E9 PolarHBondContact O-N 2.74Å; E9-L11 VanDerWaalsContact C-N 3.27Å; E9-L11 PolarHBondContact O-N 2.98Å; E9-G12 PolarHBondContact O-N 2.97Å
10I90.8Very high86.8Confident57 Ų5774.1 Ų74.129%0.29241%0.411SS..Hα-helixtrans-59.1-40.7176.6-72163.8000111.1K6 F7 G12 L29 L47 I48 A51K6-I10 VanDerWaalsContact O-CG1 3.29Å; K6-I10 WeakPolarHBondContact O-CG1 3.36Å; K6-I10 PolarHBondContact O-N 3.09Å; F7-I10 HydrophobicContact CD1-CD1 4.16Å; I10-G12 VanDerWaalsContact C-N 3.33Å; I10-L29 WeakPolarHBondContact O-CD1 3.44Å; I10-L47 HydrophobicContact CG2-CB 4.46Å; I10-I48 HydrophobicContact CG2-CG1 4Å; I10-A51 HydrophobicContact CB-CB 4.35Å; I10-A51 HydrophobicContact CG2-CB 4.08Å
11L90.9Very high87Confident4 Ų474.4 Ų74.42%0.02141%0.412CS..Hα-helixtrans-82.2-11176.5-69.8175.2000113.2F7 Y8 E9 V13 L22 A25 Y26 L29 I48 A51 L55F7-L11 PolarHBondContact O-N 2.81Å; Y8-L11 PolarHBondContact O-N 3.37Å; E9-L11 VanDerWaalsContact C-N 3.27Å; E9-L11 PolarHBondContact O-N 2.98Å; L11-V13 HydrophobicContact CB-CG2 3.78Å; L11-L22 HydrophobicContact CD1-CD2 3.57Å; L11-A25 WeakPolarHBondContact O-CB 3.38Å; L11-Y26 HydrophobicContact CD2-CD2 4.14Å; L11-L29 HydrophobicContact CD2-CD1 4.19Å; L11-I48 HydrophobicContact CD2-CG2 4.01Å; L11-A51 HydrophobicContact CD1-CB 4.19Å; L11-A51 HydrophobicContact CG-CB 4.03Å; L11-L55 HydrophobicContact CD1-CD1 3.85Å
12G90.9Very high88.3Confident68 Ų6863 Ų6370%0.70136%0.356SS*.THydrogen-bonded Turntrans67.133.5-178.100000113.5Y8 E9 I10Y8-G12 PolarHBondContact O-N 3.36Å; E9-G12 PolarHBondContact O-N 2.97Å; I10-G12 VanDerWaalsContact C-N 3.33Å
13V92.4Very high89.1Confident25 Ų2566.1 Ų66.115%0.15237%0.366CS..  trans-119.3155.6-179.8-73.80000111.3Y8 L11 C17 L22 A25Y8-V13 CarbonylContact C-O 3.54Å; Y8-V13 WeakPolarHBondContact CB-O 3.47Å; Y8-V13 HydrophobicContact CD1-CG2 4.17Å; Y8-V13 PolarHBondContact O-N 3.44Å; L11-V13 HydrophobicContact CB-CG2 3.78Å; V13-C17 HydrophobicContact CB-CB 4.09Å; V13-L22 HydrophobicContact CG2-CG 4.5Å; V13-A25 HydrophobicContact CG1-CB 3.43Å; V13-A25 VanDerWaalsContact CG1-CB 3.43Å
14S91.3Very high89.6Confident68 Ų6866.7 Ų66.748%0.47637%0.369SS..  trans-74.6153.5174.6115.70000111.3N16 C17S14-N16 PolarHBondContact O-N 3.22Å; S14-N16 VanDerWaalsContact O-N 3.16Å; S14-N16 PolarHBondContact OG-N 3.3Å; S14-N16 VanDerWaalsContact OG-N 3.12Å; S14-C17 WeakPolarHBondContact O-CB 3.12Å; S14-C17 PolarHBondContact O-N 3.44Å; S14-C17 PolarHBondContact O-SG 3.17Å
15P88.2Confident90.1Very high42 Ų4264.2 Ų64.227%0.27336%0.361SS..THydrogen-bonded Turntrans-57.3-29.8175.4-20.931000113.6V2 T5 Y8 C17 R61V2-P15 HydrophobicContact CB-CB 4.38Å; V2-P15 HydrophobicContact CG2-CB 3.68Å; T5-P15 HydrophobicContact CG2-CG 4.15Å; Y8-P15 HydrophobicContact CD2-CB 4.4Å; Y8-P15 HydrophobicContact CE2-CB 4.4Å; P15-C17 VanDerWaalsContact C-N 3.3Å; P15-C17 PolarHBondContact O-N 2.96Å; P15-R61 PolarHBondContact O-NH2 2.82Å
16N86.2Confident90.3Very high153 Ų15361.9 Ų61.982%0.81835%0.346SS*.THydrogen-bonded Turntrans-89.115.5177.6-70.3-14.5000113.4S14S14-N16 PolarHBondContact O-N 3.22Å; S14-N16 VanDerWaalsContact O-N 3.16Å; S14-N16 PolarHBondContact OG-N 3.3Å; S14-N16 VanDerWaalsContact OG-N 3.12Å
17C87.6Confident90.2Very high14 Ų1464 Ų6410%0.09535%0.351CS..  trans-68.2146.9-17870.40000112.6V13 S14 P15 D21 L22 R61V13-C17 HydrophobicContact CB-CB 4.09Å; S14-C17 WeakPolarHBondContact O-CB 3.12Å; S14-C17 PolarHBondContact O-N 3.44Å; S14-C17 PolarHBondContact O-SG 3.17Å; P15-C17 VanDerWaalsContact C-N 3.3Å; P15-C17 PolarHBondContact O-N 2.96Å; C17-D21 HydrophobicContact CB-CB 4.16Å; C17-L22 VanDerWaalsContact SG-CD1 3.56Å; C17-R61 PolarHBondContact O-NH1 3.42Å; C17-R61 PolarHBondContact O-NH2 2.8Å
18S90.2Very high90.3Very high54 Ų5472 Ų7238%0.37839%0.385SS..  trans-70.1155.917273.80000110.8A20 D21 L22S18-A20 PolarHBondContact O-N 2.75Å; S18-D21 PolarHBondContact O-N 2.99Å; S18-D21 VanDerWaalsContact O-N 3.08Å; S18-D21 PolarHBondContact OG-N 3.2Å; S18-D21 PolarHBondContact OG-OD2 3.14Å; S18-L22 PolarHBondContact O-N 3.36Å
19E88.4Confident90.2Very high130 Ų13073.8 Ų73.861%0.60740%0.395SS*.Hα-helixtrans-55.1-34.5173.1-77.8-177.8170.800112.5L22 K23E19-L22 PolarHBondContact O-N 3.22Å; E19-K23 WeakPolarHBondContact O-CB 3.12Å; E19-K23 PolarHBondContact O-N 3.48Å
20A87.2Confident90Very high70 Ų7067.9 Ų67.958%0.57937%0.368SS*.Hα-helixtrans-63.9-43.3177.600000111.6S18 K23 K24S18-A20 PolarHBondContact O-N 2.75Å; A20-K23 PolarHBondContact O-N 2.92Å; A20-K24 WeakPolarHBondContact O-CB 3.36Å; A20-K24 PolarHBondContact O-N 3.06Å
21D91Very high89.8Confident82 Ų8270.4 Ų70.444%0.43938%0.382SS..Hα-helixtrans-67.1-41.3177.3-63.2-43.6000111.3C17 S18 K23 K24 A25C17-D21 HydrophobicContact CB-CB 4.16Å; S18-D21 PolarHBondContact O-N 2.99Å; S18-D21 VanDerWaalsContact O-N 3.08Å; S18-D21 PolarHBondContact OG-N 3.2Å; S18-D21 PolarHBondContact OG-OD2 3.14Å; D21-K23 PolarHBondContact O-N 3.46Å; D21-K24 PolarHBondContact O-N 3.41Å; D21-K24 VanDerWaalsContact O-N 3.17Å; D21-A25 WeakPolarHBondContact O-CB 3.38Å; D21-A25 PolarHBondContact O-N 3.37Å
22L91.3Very high89.6Confident2 Ų276.4 Ų76.41%0.0141%0.408CS..Hα-helixtrans-57.8-47.7176.7-132.3153000111.1L11 V13 C17 S18 E19 K24 A25 Y26 Y52 L55L11-L22 HydrophobicContact CD1-CD2 3.57Å; V13-L22 HydrophobicContact CG2-CG 4.5Å; C17-L22 VanDerWaalsContact SG-CD1 3.56Å; S18-L22 PolarHBondContact O-N 3.36Å; E19-L22 PolarHBondContact O-N 3.22Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.47Å; L22-A25 PolarHBondContact O-N 2.81Å; L22-Y26 WeakPolarHBondContact O-CB 3.22Å; L22-Y26 PolarHBondContact O-N 3.24Å; L22-Y52 HydrophobicContact CD2-CD2 3.79Å; L22-Y52 HydrophobicContact CD2-CE2 4.13Å; L22-L55 HydrophobicContact CD1-CB 3.93Å; L22-L55 HydrophobicContact CD2-CB 3.71Å; L22-L55 HydrophobicContact CD2-CD1 4.42Å; L22-L55 HydrophobicContact CG-CB 4.44Å
23K89.6Confident89.3Confident102 Ų10274.8 Ų74.844%0.44338%0.38SS..Hα-helixtrans-65.9-35.1177.1-163.1167.7-166.9170.20112.7E19 A20 D21 R27 Y52E19-K23 WeakPolarHBondContact O-CB 3.12Å; E19-K23 PolarHBondContact O-N 3.48Å; A20-K23 PolarHBondContact O-N 2.92Å; D21-K23 PolarHBondContact O-N 3.46Å; K23-R27 PolarHBondContact O-N 3.16Å; K23-R27 VanDerWaalsContact O-N 3.12Å; K23-Y52 HydrophobicContact CB-CE2 4.44Å
24K91.3Very high88.9Confident159 Ų15975.6 Ų75.669%0.69138%0.383SS*.Hα-helixtrans-71.4-42.3178.9-152.8177.6-170.3-179.80111.4A20 D21 L22 R27 K28A20-K24 WeakPolarHBondContact O-CB 3.36Å; A20-K24 PolarHBondContact O-N 3.06Å; D21-K24 PolarHBondContact O-N 3.41Å; D21-K24 VanDerWaalsContact O-N 3.17Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.47Å; K24-R27 PolarHBondContact O-N 3.13Å; K24-K28 PolarHBondContact O-N 3.02Å
25A93Very high88.3Confident19 Ų1974.6 Ų74.616%0.15737%0.374CS..Hα-helixtrans-63.7-46.917600000111.5L11 V13 D21 L22 R27 K28 L29L11-A25 WeakPolarHBondContact O-CB 3.38Å; V13-A25 HydrophobicContact CG1-CB 3.43Å; V13-A25 VanDerWaalsContact CG1-CB 3.43Å; D21-A25 WeakPolarHBondContact O-CB 3.38Å; D21-A25 PolarHBondContact O-N 3.37Å; L22-A25 PolarHBondContact O-N 2.81Å; A25-R27 PolarHBondContact O-N 2.86Å; A25-K28 PolarHBondContact O-N 2.97Å; A25-K28 VanDerWaalsContact O-N 3.16Å; A25-L29 PolarHBondContact O-N 2.78Å; A25-L29 VanDerWaalsContact O-N 3.07Å
26Y91.6Very high87.9Confident8 Ų879.5 Ų79.53%0.03140%0.399CS..Hα-helixtrans-57.2-48.7175.5177.5-104.6000112.4L11 L22 K28 L29 A30 I48 Y52 F90 F94L11-Y26 HydrophobicContact CD2-CD2 4.14Å; L22-Y26 WeakPolarHBondContact O-CB 3.22Å; L22-Y26 PolarHBondContact O-N 3.24Å; Y26-K28 VanDerWaalsContact C-N 3.26Å; Y26-K28 PolarHBondContact O-N 2.79Å; Y26-L29 PolarHBondContact O-N 2.97Å; Y26-A30 HydrophobicContact CE1-CB 4.24Å; Y26-A30 HydrophobicContact CE2-CB 4.5Å; Y26-A30 VanDerWaalsContact O-CB 3.27Å; Y26-A30 WeakPolarHBondContact O-CB 3.44Å; Y26-A30 PolarHBondContact O-N 3.36Å; Y26-I48 HydrophobicContact CD2-CG2 3.63Å; Y26-I48 HydrophobicContact CE2-CG2 3.7Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.43Å; Y26-Y52 AromaticContact CD1-CD1 4Å; Y26-Y52 HydrophobicContact CD1-CD1 4Å; Y26-Y52 HydrophobicContact CD1-CD2 4.21Å; Y26-Y52 HydrophobicContact CD1-CE1 4.16Å; Y26-Y52 HydrophobicContact CD1-CE2 4.35Å; Y26-Y52 HydrophobicContact CD1-CG 4.03Å; Y26-Y52 HydrophobicContact CD2-CD1 4.13Å; Y26-Y52 AromaticContact CD2-CD2 3.99Å; Y26-Y52 HydrophobicContact CD2-CD2 3.99Å; Y26-Y52 AromaticContact CD2-CG 3.55Å; Y26-Y52 HydrophobicContact CD2-CG 3.55Å; Y26-Y52 HydrophobicContact CE1-CD1 4.11Å; Y26-Y52 HydrophobicContact CE1-CE1 4.4Å; Y26-Y52 HydrophobicContact CE1-CG 4.45Å; Y26-Y52 HydrophobicContact CE2-CD1 4.24Å; Y26-Y52 HydrophobicContact CE2-CG 4.03Å; Y26-Y52 AromaticContact CG-CD1 3.99Å; Y26-Y52 HydrophobicContact CG-CD1 3.99Å; Y26-Y52 AromaticContact CG-CD2 3.61Å; Y26-Y52 HydrophobicContact CG-CD2 3.61Å; Y26-Y52 HydrophobicContact CG-CE1 4.46Å; Y26-Y52 HydrophobicContact CG-CE2 4.11Å; Y26-Y52 AromaticContact CG-CG 3.54Å; Y26-Y52 HydrophobicContact CG-CG 3.54Å; Y26-F90 HydrophobicContact CE1-CD2 4.09Å; Y26-F90 AromaticContact CE1-CE2 3.75Å; Y26-F90 HydrophobicContact CE1-CE2 3.75Å; Y26-F90 VanDerWaalsContact OH-CD2 3.22Å; Y26-F90 WeakPolarHBondContact OH-CD2 3.46Å; Y26-F94 AromaticContact CD1-CE2 3.71Å; Y26-F94 HydrophobicContact CD1-CE2 3.71Å; Y26-F94 AromaticContact CD1-CZ 3.53Å; Y26-F94 HydrophobicContact CD1-CZ 3.53Å; Y26-F94 HydrophobicContact CE1-CD2 4.07Å; Y26-F94 AromaticContact CE1-CE2 3.25Å; Y26-F94 HydrophobicContact CE1-CE2 3.25Å; Y26-F94 AromaticContact CE1-CZ 3.56Å; Y26-F94 HydrophobicContact CE1-CZ 3.56Å
27R88.7Confident87.6Confident153 Ų15379 Ų7958%0.57739%0.389SS*.Hα-helixtrans-55.8-41.8176.7-93.4-173.9179-179.31.5112.8K23 K24 A25 L31 F94K23-R27 PolarHBondContact O-N 3.16Å; K23-R27 VanDerWaalsContact O-N 3.12Å; K24-R27 PolarHBondContact O-N 3.13Å; A25-R27 PolarHBondContact O-N 2.86Å; R27-L31 WeakPolarHBondContact O-CB 3.29Å; R27-L31 PolarHBondContact O-N 2.79Å; R27-L31 VanDerWaalsContact O-N 3.16Å; R27-F94 HydrophobicContact CG-CE1 4.49Å
28K91.7Very high87Confident171 Ų17181.5 Ų81.574%0.74340%0.401SS*.Hα-helixtrans-66.6-39.5-178.1-158.8-179-176.4-175.10111.3K24 A25 Y26K24-K28 PolarHBondContact O-N 3.02Å; A25-K28 PolarHBondContact O-N 2.97Å; A25-K28 VanDerWaalsContact O-N 3.16Å; Y26-K28 VanDerWaalsContact C-N 3.26Å; Y26-K28 PolarHBondContact O-N 2.79Å
29L90.8Very high86.4Confident39 Ų3984 Ų8420%0.20442%0.417CS..Hα-helixtrans-76-42.9178.3-70.9169.4000112.3I10 L11 A25 Y26 L31 K32 Y33 I48I10-L29 WeakPolarHBondContact O-CD1 3.44Å; L11-L29 HydrophobicContact CD2-CD1 4.19Å; A25-L29 PolarHBondContact O-N 2.78Å; A25-L29 VanDerWaalsContact O-N 3.07Å; Y26-L29 PolarHBondContact O-N 2.97Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.3Å; L29-K32 PolarHBondContact O-N 3.07Å; L29-Y33 HydrophobicContact CD2-CD2 4.33Å; L29-Y33 HydrophobicContact CD2-CE2 3.86Å; L29-Y33 WeakPolarHBondContact O-CD2 3.29Å; L29-Y33 PolarHBondContact O-N 2.92Å; L29-I48 HydrophobicContact CB-CD1 3.91Å; L29-I48 HydrophobicContact CB-CG1 4.41Å; L29-I48 HydrophobicContact CB-CG2 3.98Å; L29-I48 HydrophobicContact CD1-CG1 4.41Å; L29-I48 HydrophobicContact CD2-CD1 4.49Å
30A87.8Confident86Confident5 Ų583 Ų834%0.04142%0.424CS..Hα-helixtrans-60.2-40.1178.600000112.2Y26 K32 H34 F45 F90Y26-A30 HydrophobicContact CE1-CB 4.24Å; Y26-A30 HydrophobicContact CE2-CB 4.5Å; Y26-A30 VanDerWaalsContact O-CB 3.27Å; Y26-A30 WeakPolarHBondContact O-CB 3.44Å; Y26-A30 PolarHBondContact O-N 3.36Å; A30-K32 VanDerWaalsContact C-N 3.3Å; A30-K32 PolarHBondContact O-N 2.92Å; A30-H34 WeakPolarHBondContact O-CA 3.2Å; A30-H34 WeakPolarHBondContact O-CB 3.38Å; A30-H34 PolarHBondContact O-N 3.45Å; A30-F45 HydrophobicContact CB-CE2 3.96Å; A30-F90 HydrophobicContact CB-CE2 4.48Å
31L85.9Confident85.6Confident111 Ų11182.9 Ų82.958%0.58141%0.411SS*.Hα-helixtrans-66.8-29.3174.4-96.3154.3000113.7R27 L29R27-L31 WeakPolarHBondContact O-CB 3.29Å; R27-L31 PolarHBondContact O-N 2.79Å; R27-L31 VanDerWaalsContact O-N 3.16Å; L29-L31 VanDerWaalsContact C-N 3.32Å; L29-L31 PolarHBondContact O-N 3.3Å
32K86.5Confident84.9Confident130 Ų13080.6 Ų80.657%0.56541%0.407SS*.Hα-helixtrans-83-35.9-176.7-163-177.2-177.8-169.20112.1L29 A30 N38L29-K32 PolarHBondContact O-N 3.07Å; A30-K32 VanDerWaalsContact C-N 3.3Å; A30-K32 PolarHBondContact O-N 2.92Å; K32-N38 PolarHBondContact O-ND2 3.24Å
33Y85.5Confident84.4Confident33 Ų3388.2 Ų88.213%0.12944%0.443CS..SBendtrans-109.318.3-177-61-71.1000113.1L29 E41 R44 F45 I48L29-Y33 HydrophobicContact CD2-CD2 4.33Å; L29-Y33 HydrophobicContact CD2-CE2 3.86Å; L29-Y33 WeakPolarHBondContact O-CD2 3.29Å; L29-Y33 PolarHBondContact O-N 2.92Å; Y33-E41 HydrophobicContact CD1-CB 3.95Å; Y33-E41 HydrophobicContact CD1-CG 4.45Å; Y33-E41 WeakPolarHBondContact CD1-OE2 3.45Å; Y33-E41 WeakPolarHBondContact CE1-OE2 3.32Å; Y33-R44 HydrophobicContact CD1-CB 4.41Å; Y33-R44 PolarHBondContact OH-NH1 3.24Å; Y33-F45 WeakPolarHBondContact O-CB 3.4Å; Y33-F45 WeakPolarHBondContact O-CD2 3.34Å; Y33-I48 HydrophobicContact CD2-CD1 3.54Å; Y33-I48 HydrophobicContact CE2-CD1 4.12Å; Y33-I48 HydrophobicContact CG-CD1 4.25Å
34H82.7Confident84.1Confident43 Ų4389.3 Ų89.320%0.19944%0.444CS..  trans-60.6135.1177.3-165.4-88.1000110.2A30 D36 K37 N38A30-H34 WeakPolarHBondContact O-CA 3.2Å; A30-H34 WeakPolarHBondContact O-CB 3.38Å; A30-H34 PolarHBondContact O-N 3.45Å; H34-D36 PolarHBondContact ND1-N 3.38Å; H34-D36 PolarHBondContact O-N 2.82Å; H34-D36 VanDerWaalsContact O-N 3.16Å; H34-K37 PolarHBondContact O-N 2.84Å; H34-N38 PolarHBondContact O-N 2.84Å
35P78.6Confident83.9Confident46 Ų4682.1 Ų82.130%0.29941%0.413SS..THydrogen-bonded Turntrans-58.3-32.2-17518.1-30.3000113.8K37 N38 P39 M87P35-K37 VanDerWaalsContact C-N 3.35Å; P35-K37 PolarHBondContact O-N 2.68Å; P35-N38 CarbonylContact O-C 3.54Å; P35-P39 WeakPolarHBondContact O-CA 3.34Å; P35-M87 HydrophobicContact CG-CE 4.49Å; P35-M87 HydrophobicContact CG-SD 3.92Å
36D80.4Confident83.5Confident146 Ų14687.1 Ų87.178%0.78143%0.431SS*.THydrogen-bonded Turntrans-64.4-34.5172.4-89.5-5.2000113.9H34H34-D36 PolarHBondContact ND1-N 3.38Å; H34-D36 PolarHBondContact O-N 2.82Å; H34-D36 VanDerWaalsContact O-N 3.16Å
37K79.1Confident83.3Confident142 Ų14290.6 Ų90.662%0.61745%0.45SS*.THydrogen-bonded Turntrans-91.5-32.3-176.4-74.2-171.3176.8-172.10112.7H34 P35H34-K37 PolarHBondContact O-N 2.84Å; P35-K37 VanDerWaalsContact C-N 3.35Å; P35-K37 PolarHBondContact O-N 2.68Å
38N76.2Confident83.4Confident66 Ų6683.6 Ų83.635%0.35342%0.423SS..  trans-138.682.3179.4-90-41.2000110K32 H34 P35 S40 E41K32-N38 PolarHBondContact O-ND2 3.24Å; H34-N38 PolarHBondContact O-N 2.84Å; P35-N38 CarbonylContact O-C 3.54Å; N38-S40 PolarHBondContact O-N 3.13Å; N38-E41 PolarHBondContact O-N 2.83Å
39P77.9Confident83.2Confident108 Ų10875.9 Ų75.970%0.70139%0.391SS*.G310 helixtrans-60.9-27.1-179-2130.8000113.6P35P35-P39 WeakPolarHBondContact O-CA 3.34Å
40S79.6Confident83.2Confident109 Ų10978.8 Ų78.876%0.76240%0.404SS*.G310 helixtrans-79.7-12.2-175.855.20000114.9N38N38-S40 PolarHBondContact O-N 3.13Å
41E79.4Confident83.3Confident66 Ų6678.5 Ų78.531%0.30840%0.402SS..G310 helixtrans-113.529.8-176-77.5-126.8-167.200113.1Y33 N38 E43 R44 F45Y33-E41 HydrophobicContact CD1-CB 3.95Å; Y33-E41 HydrophobicContact CD1-CG 4.45Å; Y33-E41 WeakPolarHBondContact CD1-OE2 3.45Å; Y33-E41 WeakPolarHBondContact CE1-OE2 3.32Å; N38-E41 PolarHBondContact O-N 2.83Å; E41-E43 PolarHBondContact O-N 3.43Å; E41-R44 PolarHBondContact O-N 2.93Å; E41-R44 VanDerWaalsContact O-N 3.13Å; E41-R44 IonicContact OE1-NH1 2.92Å; E41-R44 PolarHBondContact OE1-NH1 3.16Å; E41-R44 VanDerWaalsContact OE1-NH1 3.11Å; E41-R44 WeakPolarHBondContact OE2-CD 3.47Å; E41-R44 VanDerWaalsContact OE2-CG 3.23Å; E41-R44 WeakPolarHBondContact OE2-CG 3.43Å; E41-R44 IonicContact OE2-CZ 3.52Å; E41-R44 IonicContact OE2-NE 3.56Å; E41-R44 IonicContact OE2-NH1 3.47Å; E41-R44 PolarHBondContact OE2-NH1 3.31Å; E41-F45 PolarHBondContact O-N 3.13Å
42G75.5Confident83.6Confident34 Ų3474 Ų7435%0.35138%0.377SS..Hα-helixtrans-57.4-32.1-179.500000114.6F45 K46G42-F45 PolarHBondContact O-N 3.11Å; G42-K46 PolarHBondContact O-N 2.87Å; G42-K46 VanDerWaalsContact O-N 3.13Å
43E80.9Confident83.7Confident163 Ų16371.3 Ų71.376%0.76237%0.367SS*.Hα-helixtrans-67-37.6177.2-68.7-170.7160.400112.9E41 F45 K46 L47E41-E43 PolarHBondContact O-N 3.43Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.1Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 3.12Å; E43-L47 PolarHBondContact O-N 3.04Å; E43-L47 VanDerWaalsContact O-N 3.13Å
44R83.7Confident83.8Confident125 Ų12570.2 Ų70.247%0.47236%0.363SS..Hα-helixtrans-63.9-40.6174.4-85.8-140-179119.4-7.1111.3Y33 E41 K46 L47 I48Y33-R44 HydrophobicContact CD1-CB 4.41Å; Y33-R44 PolarHBondContact OH-NH1 3.24Å; E41-R44 PolarHBondContact O-N 2.93Å; E41-R44 VanDerWaalsContact O-N 3.13Å; E41-R44 IonicContact OE1-NH1 2.92Å; E41-R44 PolarHBondContact OE1-NH1 3.16Å; E41-R44 VanDerWaalsContact OE1-NH1 3.11Å; E41-R44 WeakPolarHBondContact OE2-CD 3.47Å; E41-R44 VanDerWaalsContact OE2-CG 3.23Å; E41-R44 WeakPolarHBondContact OE2-CG 3.43Å; E41-R44 IonicContact OE2-CZ 3.52Å; E41-R44 IonicContact OE2-NE 3.56Å; E41-R44 IonicContact OE2-NH1 3.47Å; E41-R44 PolarHBondContact OE2-NH1 3.31Å; R44-K46 VanDerWaalsContact C-N 3.29Å; R44-K46 PolarHBondContact O-N 2.88Å; R44-L47 PolarHBondContact O-N 2.95Å; R44-I48 WeakPolarHBondContact O-CB 3.18Å; R44-I48 WeakPolarHBondContact O-CD1 3.39Å; R44-I48 VanDerWaalsContact O-CG1 3.27Å; R44-I48 WeakPolarHBondContact O-CG1 3.24Å; R44-I48 PolarHBondContact O-N 2.74Å
45F86.1Confident84.2Confident7 Ų768.2 Ų68.23%0.03135%0.354CS..Hα-helixtrans-62.5-37.9177.2-171.6-98.1000112A30 Y33 E41 G42 E43 I48 S49 M87A30-F45 HydrophobicContact CB-CE2 3.96Å; Y33-F45 WeakPolarHBondContact O-CB 3.4Å; Y33-F45 WeakPolarHBondContact O-CD2 3.34Å; E41-F45 PolarHBondContact O-N 3.13Å; G42-F45 PolarHBondContact O-N 3.11Å; E43-F45 VanDerWaalsContact C-N 3.31Å; E43-F45 PolarHBondContact O-N 3.1Å; F45-I48 PolarHBondContact O-N 2.85Å; F45-S49 WeakPolarHBondContact O-CB 3.43Å; F45-S49 PolarHBondContact O-N 3.19Å; F45-S49 PolarHBondContact O-OG 2.92Å; F45-M87 HydrophobicContact CE1-SD 4.37Å
46K84.8Confident84.6Confident125 Ų12567.4 Ų67.454%0.54335%0.35SS..Hα-helixtrans-57.9-52.2172.1-90-179.9175.9-178.10111.9G42 E43 R44 I48 S49 Q50 P86G42-K46 PolarHBondContact O-N 2.87Å; G42-K46 VanDerWaalsContact O-N 3.13Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 3.12Å; R44-K46 VanDerWaalsContact C-N 3.29Å; R44-K46 PolarHBondContact O-N 2.88Å; K46-I48 PolarHBondContact O-N 2.84Å; K46-S49 PolarHBondContact O-N 3.23Å; K46-Q50 WeakPolarHBondContact O-CB 3.46Å; K46-Q50 PolarHBondContact O-N 3.35Å; K46-P86 HydrophobicContact CD-CG 4.16Å; K46-P86 HydrophobicContact CG-CB 4.35Å; K46-P86 HydrophobicContact CG-CG 3.44Å; K46-P86 VanDerWaalsContact CG-CG 3.44Å
47L87.6Confident84.9Confident81 Ų8163.9 Ų63.942%0.42433%0.33SS..Hα-helixtrans-62-42179.9-75166.1000112.5I10 E43 R44 S49 Q50 A51I10-L47 HydrophobicContact CG2-CB 4.46Å; E43-L47 PolarHBondContact O-N 3.04Å; E43-L47 VanDerWaalsContact O-N 3.13Å; R44-L47 PolarHBondContact O-N 2.95Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 2.88Å; L47-Q50 PolarHBondContact O-N 2.77Å; L47-A51 WeakPolarHBondContact O-CB 3.31Å; L47-A51 PolarHBondContact O-N 3.23Å
48I90.6Very high85.3Confident5 Ų560.3 Ų60.33%0.02633%0.328CS..Hα-helixtrans-62.3-41177.2-71159.1000111.1I10 L11 Y26 L29 Y33 R44 F45 K46 Y52I10-I48 HydrophobicContact CG2-CG1 4Å; L11-I48 HydrophobicContact CD2-CG2 4.01Å; Y26-I48 HydrophobicContact CD2-CG2 3.63Å; Y26-I48 HydrophobicContact CE2-CG2 3.7Å; L29-I48 HydrophobicContact CB-CD1 3.91Å; L29-I48 HydrophobicContact CB-CG1 4.41Å; L29-I48 HydrophobicContact CB-CG2 3.98Å; L29-I48 HydrophobicContact CD1-CG1 4.41Å; L29-I48 HydrophobicContact CD2-CD1 4.49Å; Y33-I48 HydrophobicContact CD2-CD1 3.54Å; Y33-I48 HydrophobicContact CE2-CD1 4.12Å; Y33-I48 HydrophobicContact CG-CD1 4.25Å; R44-I48 WeakPolarHBondContact O-CB 3.18Å; R44-I48 WeakPolarHBondContact O-CD1 3.39Å; R44-I48 VanDerWaalsContact O-CG1 3.27Å; R44-I48 WeakPolarHBondContact O-CG1 3.24Å; R44-I48 PolarHBondContact O-N 2.74Å; F45-I48 PolarHBondContact O-N 2.85Å; K46-I48 PolarHBondContact O-N 2.84Å; I48-Y52 WeakPolarHBondContact O-CB 3.06Å; I48-Y52 PolarHBondContact O-N 2.92Å; I48-Y52 VanDerWaalsContact O-N 3.09Å
49S88.5Confident85.6Confident10 Ų1064.4 Ų64.47%0.0735%0.345CS..Hα-helixtrans-69.4-42.3179.4-56.20000111.6F45 K46 L47 Y52 E53F45-S49 WeakPolarHBondContact O-CB 3.43Å; F45-S49 PolarHBondContact O-N 3.19Å; F45-S49 PolarHBondContact O-OG 2.92Å; K46-S49 PolarHBondContact O-N 3.23Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 2.88Å; S49-Y52 PolarHBondContact O-N 3.05Å; S49-E53 PolarHBondContact O-N 3.36Å
50Q89.5Confident86Confident99 Ų9962.7 Ų62.746%0.46333%0.326SS..Hα-helixtrans-64.6-44.4176.6-166174.821.200112.1K46 L47 Y52 E53 V54K46-Q50 WeakPolarHBondContact O-CB 3.46Å; K46-Q50 PolarHBondContact O-N 3.35Å; L47-Q50 PolarHBondContact O-N 2.77Å; Q50-Y52 VanDerWaalsContact C-N 3.32Å; Q50-Y52 PolarHBondContact O-N 2.93Å; Q50-E53 PolarHBondContact O-N 3.15Å; Q50-V54 WeakPolarHBondContact O-CG2 3.46Å; Q50-V54 PolarHBondContact O-N 2.97Å
51A91.1Very high86.5Confident0 Ų059.3 Ų59.30%030%0.297CS..Hα-helixtrans-59.8-42.517600000111.8F7 I10 L11 L47 L55F7-A51 HydrophobicContact CB-CB 3.86Å; F7-A51 HydrophobicContact CD1-CB 3.63Å; F7-A51 HydrophobicContact CE1-CB 4.47Å; F7-A51 HydrophobicContact CG-CB 3.95Å; I10-A51 HydrophobicContact CB-CB 4.35Å; I10-A51 HydrophobicContact CG2-CB 4.08Å; L11-A51 HydrophobicContact CD1-CB 4.19Å; L11-A51 HydrophobicContact CG-CB 4.03Å; L47-A51 WeakPolarHBondContact O-CB 3.31Å; L47-A51 PolarHBondContact O-N 3.23Å; A51-L55 WeakPolarHBondContact O-CB 3.12Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.85Å; A51-L55 VanDerWaalsContact O-N 3.07Å
52Y91.5Very high86.7Confident16 Ų1662.9 Ų62.96%0.06331%0.311CS..Hα-helixtrans-70.2-39178.3-176.4-102.1000112.6L22 K23 Y26 I48 S49 Q50 V54 L55 S56 F93 F94L22-Y52 HydrophobicContact CD2-CD2 3.79Å; L22-Y52 HydrophobicContact CD2-CE2 4.13Å; K23-Y52 HydrophobicContact CB-CE2 4.44Å; Y26-Y52 VanDerWaalsContact CB-CD2 3.43Å; Y26-Y52 AromaticContact CD1-CD1 4Å; Y26-Y52 HydrophobicContact CD1-CD1 4Å; Y26-Y52 HydrophobicContact CD1-CD2 4.21Å; Y26-Y52 HydrophobicContact CD1-CE1 4.16Å; Y26-Y52 HydrophobicContact CD1-CE2 4.35Å; Y26-Y52 HydrophobicContact CD1-CG 4.03Å; Y26-Y52 HydrophobicContact CD2-CD1 4.13Å; Y26-Y52 AromaticContact CD2-CD2 3.99Å; Y26-Y52 HydrophobicContact CD2-CD2 3.99Å; Y26-Y52 AromaticContact CD2-CG 3.55Å; Y26-Y52 HydrophobicContact CD2-CG 3.55Å; Y26-Y52 HydrophobicContact CE1-CD1 4.11Å; Y26-Y52 HydrophobicContact CE1-CE1 4.4Å; Y26-Y52 HydrophobicContact CE1-CG 4.45Å; Y26-Y52 HydrophobicContact CE2-CD1 4.24Å; Y26-Y52 HydrophobicContact CE2-CG 4.03Å; Y26-Y52 AromaticContact CG-CD1 3.99Å; Y26-Y52 HydrophobicContact CG-CD1 3.99Å; Y26-Y52 AromaticContact CG-CD2 3.61Å; Y26-Y52 HydrophobicContact CG-CD2 3.61Å; Y26-Y52 HydrophobicContact CG-CE1 4.46Å; Y26-Y52 HydrophobicContact CG-CE2 4.11Å; Y26-Y52 AromaticContact CG-CG 3.54Å; Y26-Y52 HydrophobicContact CG-CG 3.54Å; I48-Y52 WeakPolarHBondContact O-CB 3.06Å; I48-Y52 PolarHBondContact O-N 2.92Å; I48-Y52 VanDerWaalsContact O-N 3.09Å; S49-Y52 PolarHBondContact O-N 3.05Å; Q50-Y52 VanDerWaalsContact C-N 3.32Å; Q50-Y52 PolarHBondContact O-N 2.93Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 2.86Å; Y52-L55 PolarHBondContact O-N 3.05Å; Y52-S56 WeakPolarHBondContact O-CA 3.5Å; Y52-S56 WeakPolarHBondContact O-CB 3.29Å; Y52-S56 PolarHBondContact O-N 3.29Å; Y52-S56 PolarHBondContact O-OG 3.06Å; Y52-F93 HydrophobicContact CE1-CD1 4.09Å; Y52-F93 AromaticContact CE1-CE1 3.93Å; Y52-F93 HydrophobicContact CE1-CE1 3.93Å; Y52-F94 HydrophobicContact CD1-CE2 4.36Å; Y52-F94 AromaticContact CE1-CE2 3.72Å; Y52-F94 HydrophobicContact CE1-CE2 3.72Å; Y52-F94 AromaticContact CE1-CZ 3.94Å; Y52-F94 HydrophobicContact CE1-CZ 3.94Å
53E88.8Confident87.1Confident74 Ų7464.9 Ų64.935%0.34631%0.313SS..Hα-helixtrans-58.1-45.2177.6-165.4-157.8147.700111.5S49 Q50 S56 K60 L89S49-E53 PolarHBondContact O-N 3.36Å; Q50-E53 PolarHBondContact O-N 3.15Å; E53-S56 PolarHBondContact O-OG 3.25Å; E53-K60 IonicContact OE1-NZ 2.85Å; E53-K60 PolarHBondContact OE1-NZ 3.38Å; E53-L89 HydrophobicContact CB-CD2 4.41Å; E53-L89 HydrophobicContact CG-CD2 4.04Å; E53-L89 WeakPolarHBondContact OE2-CD2 3.37Å
54V88.5Confident87.4Confident9 Ų957.1 Ų57.16%0.05528%0.277CS..Hα-helixtrans-66.8-47.2177.9170.20000111.7F7 Q50 Y52 K60 R61 Y64 I72F7-V54 HydrophobicContact CD2-CB 4.08Å; F7-V54 HydrophobicContact CD2-CG1 3.84Å; F7-V54 HydrophobicContact CD2-CG2 4.42Å; F7-V54 HydrophobicContact CE2-CB 4.01Å; F7-V54 HydrophobicContact CE2-CG1 3.88Å; F7-V54 HydrophobicContact CE2-CG2 3.84Å; F7-V54 HydrophobicContact CZ-CG2 4.39Å; Q50-V54 WeakPolarHBondContact O-CG2 3.46Å; Q50-V54 PolarHBondContact O-N 2.97Å; Y52-V54 VanDerWaalsContact C-N 3.3Å; Y52-V54 PolarHBondContact O-N 2.86Å; V54-K60 CarbonylContact O-C 3.57Å; V54-K60 VanDerWaalsContact O-CB 3.31Å; V54-K60 WeakPolarHBondContact O-CB 3.16Å; V54-R61 PolarHBondContact O-N 3.25Å; V54-Y64 HydrophobicContact CG1-CD2 4.39Å; V54-Y64 HydrophobicContact CG1-CG 4.06Å; V54-I72 HydrophobicContact CB-CD1 4.13Å; V54-I72 HydrophobicContact CG1-CD1 3.25Å; V54-I72 HydrophobicContact CG1-CG1 4.46Å; V54-I72 HydrophobicContact CG2-CD1 3.74Å; V54-I72 HydrophobicContact CG2-CG2 4.45Å
55L89.8Confident87.6Confident2 Ų253 Ų531%0.0126%0.264CS..Hα-helixtrans-82.7-16.7-172.6-68.1177.1000114F7 Y8 L11 L22 A51 Y52 R61 Y64F7-L55 HydrophobicContact CB-CD1 3.64Å; F7-L55 HydrophobicContact CB-CG 4.07Å; Y8-L55 HydrophobicContact CD1-CD1 3.89Å; Y8-L55 HydrophobicContact CD1-CD2 4.4Å; Y8-L55 HydrophobicContact CD2-CD2 4.47Å; Y8-L55 HydrophobicContact CE1-CD1 3.98Å; Y8-L55 HydrophobicContact CE1-CD2 3.75Å; Y8-L55 HydrophobicContact CE1-CG 4.48Å; Y8-L55 HydrophobicContact CE2-CD2 3.83Å; Y8-L55 HydrophobicContact CG-CD1 4.23Å; Y8-L55 VanDerWaalsContact CZ-CD2 3.43Å; L11-L55 HydrophobicContact CD1-CD1 3.85Å; L22-L55 HydrophobicContact CD1-CB 3.93Å; L22-L55 HydrophobicContact CD2-CB 3.71Å; L22-L55 HydrophobicContact CD2-CD1 4.42Å; L22-L55 HydrophobicContact CG-CB 4.44Å; A51-L55 WeakPolarHBondContact O-CB 3.12Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.47Å; A51-L55 PolarHBondContact O-N 2.85Å; A51-L55 VanDerWaalsContact O-N 3.07Å; Y52-L55 PolarHBondContact O-N 3.05Å; L55-R61 HydrophobicContact CD2-CG 3.95Å; L55-Y64 HydrophobicContact CD2-CD1 3.89Å; L55-Y64 HydrophobicContact CD2-CE1 4.36Å
56S88.3Confident87.4Confident29 Ų2959.6 Ų59.620%0.20330%0.295CS..Hα-helixtrans-80.8-22.117969.70000113.7Y52 E53Y52-S56 WeakPolarHBondContact O-CA 3.5Å; Y52-S56 WeakPolarHBondContact O-CB 3.29Å; Y52-S56 PolarHBondContact O-N 3.29Å; Y52-S56 PolarHBondContact O-OG 3.06Å; E53-S56 PolarHBondContact O-OG 3.25Å
57D86.5Confident87Confident71 Ų7154.6 Ų54.638%0.3828%0.279SS..SBendtrans-95.8123176.2-166.4-42.2000109.4E59 K60 R61D57-E59 VanDerWaalsContact C-N 3.25Å; D57-E59 PolarHBondContact O-N 3.26Å; D57-E59 PolarHBondContact OD1-N 2.91Å; D57-E59 VanDerWaalsContact OD1-N 3.09Å; D57-K60 HydrophobicContact CB-CB 4.08Å; D57-K60 HydrophobicContact CB-CD 4.1Å; D57-K60 HydrophobicContact CB-CG 4.07Å; D57-K60 PolarHBondContact O-N 2.94Å; D57-R61 VanDerWaalsContact O-CB 3.26Å; D57-R61 WeakPolarHBondContact O-CB 3.49Å; D57-R61 PolarHBondContact O-N 3.22Å
58A87Confident86.7Confident68 Ų6850.8 Ų50.856%0.56226%0.259SS*.Hα-helixtrans-59.1-34.7-176.400000112.8K62A58-K62 PolarHBondContact O-N 2.75Å
59E82Confident85.8Confident152 Ų15252.8 Ų52.871%0.7127%0.268SS*.Hα-helixtrans-72.6-48.6177.5-75.9-171.8160.600111.3D57 R61 K62 I63D57-E59 VanDerWaalsContact C-N 3.25Å; D57-E59 PolarHBondContact O-N 3.26Å; D57-E59 PolarHBondContact OD1-N 2.91Å; D57-E59 VanDerWaalsContact OD1-N 3.09Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 2.82Å; E59-K62 WeakPolarHBondContact O-CB 3.47Å; E59-K62 PolarHBondContact O-N 3.08Å; E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.27Å
60K86.9Confident84.9Confident71 Ų7159.6 Ų59.631%0.30930%0.299SS..Hα-helixtrans-63.5-38.8179.3-65.3-177.4179.6175.80111.9E53 V54 D57 K62 I63 Y64E53-K60 IonicContact OE1-NZ 2.85Å; E53-K60 PolarHBondContact OE1-NZ 3.38Å; V54-K60 CarbonylContact O-C 3.57Å; V54-K60 VanDerWaalsContact O-CB 3.31Å; V54-K60 WeakPolarHBondContact O-CB 3.16Å; D57-K60 HydrophobicContact CB-CB 4.08Å; D57-K60 HydrophobicContact CB-CD 4.1Å; D57-K60 HydrophobicContact CB-CG 4.07Å; D57-K60 PolarHBondContact O-N 2.94Å; K60-K62 VanDerWaalsContact C-N 3.31Å; K60-K62 PolarHBondContact O-N 2.76Å; K60-I63 PolarHBondContact O-N 3.38Å; K60-Y64 WeakPolarHBondContact O-CB 3.48Å; K60-Y64 PolarHBondContact O-N 3.02Å
61R89Confident83.8Confident39 Ų3956.2 Ų56.215%0.14729%0.288CS..Hα-helixtrans-60.4-42.3175.2-177.1172.6-179.4179.4-0.9111.1Y8 P15 C17 V54 L55 D57 E59 Y64 D65Y8-R61 PolarHBondContact OH-NE 3.45Å; P15-R61 PolarHBondContact O-NH2 2.82Å; C17-R61 PolarHBondContact O-NH1 3.42Å; C17-R61 PolarHBondContact O-NH2 2.8Å; V54-R61 PolarHBondContact O-N 3.25Å; L55-R61 HydrophobicContact CD2-CG 3.95Å; D57-R61 VanDerWaalsContact O-CB 3.26Å; D57-R61 WeakPolarHBondContact O-CB 3.49Å; D57-R61 PolarHBondContact O-N 3.22Å; E59-R61 VanDerWaalsContact C-N 3.33Å; E59-R61 PolarHBondContact O-N 2.82Å; R61-Y64 WeakPolarHBondContact O-CB 3.19Å; R61-Y64 PolarHBondContact O-N 3.38Å; R61-D65 WeakPolarHBondContact O-CB 2.98Å; R61-D65 PolarHBondContact O-N 3.36Å
62K85.4Confident82.5Confident140 Ų14058.5 Ų58.561%0.60930%0.3SS*.Hα-helixtrans-63.6-45177.4-134.1-178.7-178-170.70112.1A58 E59 K60 Y64 D65 E66A58-K62 PolarHBondContact O-N 2.75Å; E59-K62 WeakPolarHBondContact O-CB 3.47Å; E59-K62 PolarHBondContact O-N 3.08Å; K60-K62 VanDerWaalsContact C-N 3.31Å; K60-K62 PolarHBondContact O-N 2.76Å; K62-Y64 VanDerWaalsContact C-N 3.32Å; K62-Y64 PolarHBondContact O-N 2.85Å; K62-D65 PolarHBondContact O-N 3.1Å; K62-E66 PolarHBondContact O-N 3.18Å
63I83.9Confident81.1Confident77 Ų7766 Ų6640%0.39533%0.332SS..Hα-helixtrans-61.4-42.8176.3-65.1166.4000110.6E59 K60 G67 A71 I72E59-I63 WeakPolarHBondContact O-CG1 3.46Å; E59-I63 PolarHBondContact O-N 3.27Å; K60-I63 PolarHBondContact O-N 3.38Å; I63-G67 WeakPolarHBondContact O-CA 2.86Å; I63-G67 PolarHBondContact O-N 3.13Å; I63-A71 HydrophobicContact CG2-CB 3.94Å; I63-I72 HydrophobicContact CG2-CG1 4.43Å
64Y85.7Confident79.1Confident0 Ų068.4 Ų68.40%035%0.353CS..Hα-helixtrans-61.9-45.9175-174.5-114.1000112K6 F7 Y8 V54 L55 K60 R61 K62 E66 G67 G68 E69 I72K6-Y64 PolarHBondContact N-OH 3.02Å; F7-Y64 HydrophobicContact CB-CE1 3.94Å; F7-Y64 HydrophobicContact CD2-CD1 4.12Å; F7-Y64 AromaticContact CD2-CD2 3.66Å; F7-Y64 HydrophobicContact CD2-CD2 3.66Å; F7-Y64 AromaticContact CD2-CE1 3.77Å; F7-Y64 HydrophobicContact CD2-CE1 3.77Å; F7-Y64 AromaticContact CD2-CE2 3.28Å; F7-Y64 HydrophobicContact CD2-CE2 3.28Å; F7-Y64 HydrophobicContact CD2-CG 4.06Å; F7-Y64 AromaticContact CD2-CZ 3.33Å; F7-Y64 AromaticContact CE2-CD2 3.77Å; F7-Y64 HydrophobicContact CE2-CD2 3.77Å; F7-Y64 AromaticContact CE2-CE2 3.5Å; F7-Y64 HydrophobicContact CE2-CE2 3.5Å; F7-Y64 VanDerWaalsContact CE2-CE2 3.5Å; F7-Y64 HydrophobicContact CE2-CG 4.49Å; F7-Y64 HydrophobicContact CG-CE1 4.23Å; F7-Y64 HydrophobicContact CG-CE2 4.14Å; F7-Y64 AromaticContact CG-CZ 3.8Å; F7-Y64 HydrophobicContact CZ-CE2 4.5Å; F7-Y64 PolarHBondContact N-OH 3.2Å; F7-Y64 VanDerWaalsContact N-OH 3.08Å; Y8-Y64 HydrophobicContact CD2-CE1 4.07Å; Y8-Y64 HydrophobicContact CE2-CD1 4.05Å; Y8-Y64 AromaticContact CE2-CE1 3.89Å; Y8-Y64 HydrophobicContact CE2-CE1 3.89Å; V54-Y64 HydrophobicContact CG1-CD2 4.39Å; V54-Y64 HydrophobicContact CG1-CG 4.06Å; L55-Y64 HydrophobicContact CD2-CD1 3.89Å; L55-Y64 HydrophobicContact CD2-CE1 4.36Å; K60-Y64 WeakPolarHBondContact O-CB 3.48Å; K60-Y64 PolarHBondContact O-N 3.02Å; R61-Y64 WeakPolarHBondContact O-CB 3.19Å; R61-Y64 PolarHBondContact O-N 3.38Å; K62-Y64 VanDerWaalsContact C-N 3.32Å; K62-Y64 PolarHBondContact O-N 2.85Å; Y64-E66 VanDerWaalsContact C-N 3.31Å; Y64-E66 PolarHBondContact O-N 2.93Å; Y64-G67 PolarHBondContact O-N 3.45Å; Y64-G68 WeakPolarHBondContact O-CA 3.42Å; Y64-G68 PolarHBondContact O-N 3.24Å; Y64-E69 HydrophobicContact CE2-CB 4.43Å; Y64-I72 HydrophobicContact CD2-CD1 3.56Å; Y64-I72 HydrophobicContact CD2-CG1 4.48Å; Y64-I72 HydrophobicContact CG-CD1 4.09Å
65D88Confident76.6Confident38 Ų3870.8 Ų70.820%0.20338%0.379CS..Hα-helixtrans-65.7-35.7-175.2-70.7-18.6000112.2V2 K3 Y8 R61 K62V2-D65 HydrophobicContact CG1-CB 4.2Å; V2-D65 WeakPolarHBondContact CG1-OD1 3.4Å; V2-D65 HydrophobicContact CG2-CB 4.39Å; K3-D65 PolarHBondContact N-O 3.28Å; Y8-D65 VanDerWaalsContact CE2-OD1 3.3Å; Y8-D65 WeakPolarHBondContact CE2-OD1 3.45Å; Y8-D65 PolarHBondContact OH-OD1 3.32Å; Y8-D65 PolarHBondContact OH-OD2 3.38Å; R61-D65 WeakPolarHBondContact O-CB 2.98Å; R61-D65 PolarHBondContact O-N 3.36Å; K62-D65 PolarHBondContact O-N 3.1Å
66E81.9Confident73.9Confident146 Ų14673.8 Ų73.868%0.68241%0.41SS*.Hα-helixtrans-83.8-31.3177.3-71.3179.7179.900113.4K3 K62 Y64K3-E66 WeakPolarHBondContact CD-O 2.98Å; K62-E66 PolarHBondContact O-N 3.18Å; Y64-E66 VanDerWaalsContact C-N 3.31Å; Y64-E66 PolarHBondContact O-N 2.93Å
67G77.7Confident71.3Confident19 Ų1977 Ų7720%0.19644%0.439CS..Hα-helixtrans-117.3-21.6-163.200000116.2K3 I63 Y64 A71K3-G67 PolarHBondContact NZ-O 2.93Å; I63-G67 WeakPolarHBondContact O-CA 2.86Å; I63-G67 PolarHBondContact O-N 3.13Å; Y64-G67 PolarHBondContact O-N 3.45Å; G67-A71 VanDerWaalsContact CA-CB 3.45Å
68G79.6Confident68.6Low1 Ų183.6 Ų83.61%0.0147%0.467CS..  trans75.1-173.6-171.100000113.3E4 Y64 E70 A71E4-G68 WeakPolarHBondContact OE2-CA 3.28Å; Y64-G68 WeakPolarHBondContact O-CA 3.42Å; Y64-G68 PolarHBondContact O-N 3.24Å; G68-E70 PolarHBondContact O-N 3.44Å; G68-A71 PolarHBondContact O-N 3.49Å; G68-A71 VanDerWaalsContact O-N 3.12Å
69E72.5Confident65.8Low47 Ų4782.9 Ų82.922%0.2247%0.466CS..Hα-helixtrans-59.3-31.3-175.6-145.8175.6-18000112.6E4 K6 F7 Y64E4-E69 WeakPolarHBondContact OE2-CB 3.34Å; E4-E69 PolarHBondContact OE2-N 2.79Å; K6-E69 IonicContact NZ-OE2 2.76Å; K6-E69 PolarHBondContact NZ-OE2 3.07Å; F7-E69 HydrophobicContact CE2-CG 4.35Å; F7-E69 HydrophobicContact CZ-CG 3.89Å; Y64-E69 HydrophobicContact CE2-CB 4.43Å
70E69.8Low63.3Low153 Ų15379.5 Ų79.572%0.71547%0.472SS*.Hα-helixtrans-67.5-37.7176.7-72.7-169152.100113G68 I72 K73 T74G68-E70 PolarHBondContact O-N 3.44Å; E70-I72 PolarHBondContact O-N 2.76Å; E70-K73 WeakPolarHBondContact O-CB 3.42Å; E70-K73 PolarHBondContact O-N 3.04Å; E70-T74 PolarHBondContact O-N 2.57Å; E70-T74 PolarHBondContact O-OG1 2.85Å
71A65.6Low60.5Low28 Ų2884 Ų8423%0.23149%0.492CS..Hα-helixtrans-66-28.4-177.100000113I63 G67 G68 G75I63-A71 HydrophobicContact CG2-CB 3.94Å; G67-A71 VanDerWaalsContact CA-CB 3.45Å; G68-A71 PolarHBondContact O-N 3.49Å; G68-A71 VanDerWaalsContact O-N 3.12Å; A71-G75 PolarHBondContact O-N 3.5Å
72I64.1Low57.8Low49 Ų4990.8 Ų90.825%0.25153%0.525SS..Hα-helixtrans-73.5-36.3173.5-60.4170.2000110.8F7 V54 I63 Y64 E70F7-I72 HydrophobicContact CE2-CD1 3.93Å; V54-I72 HydrophobicContact CB-CD1 4.13Å; V54-I72 HydrophobicContact CG1-CD1 3.25Å; V54-I72 HydrophobicContact CG1-CG1 4.46Å; V54-I72 HydrophobicContact CG2-CD1 3.74Å; V54-I72 HydrophobicContact CG2-CG2 4.45Å; I63-I72 HydrophobicContact CG2-CG1 4.43Å; Y64-I72 HydrophobicContact CD2-CD1 3.56Å; Y64-I72 HydrophobicContact CD2-CG1 4.48Å; Y64-I72 HydrophobicContact CG-CD1 4.09Å; E70-I72 PolarHBondContact O-N 2.76Å
73K63Low55.4Low172 Ų17287.8 Ų87.875%0.74851%0.512SS*.Hα-helixtrans-69.5-32.7177-78.9179.9176.2173.70112.4E70E70-K73 WeakPolarHBondContact O-CB 3.42Å; E70-K73 PolarHBondContact O-N 3.04Å
74T46Very low53.3Low126 Ų12690 Ų9077%0.77353%0.534SS*.Hα-helixtrans-96.4-19.5-175.6-31.60000113.8E70E70-T74 PolarHBondContact O-N 2.57Å; E70-T74 PolarHBondContact O-OG1 2.85Å
75G35.2Very low51.2Low59 Ų5992 Ų9261%0.60855%0.548SS*.Hα-helixtrans-103.9-0.2-172.600000117.5A71A71-G75 PolarHBondContact O-N 3.5Å
76G34.8Very low49.4Very low64 Ų6492.1 Ų92.166%0.6655%0.551SS**  trans-92.9114.6-172.300000114.3
77A32.7Very low48Very low98 Ų9888.2 Ų88.281%0.8153%0.534SS*.  trans-44.6150178.800000116G79A77-G79 PolarHBondContact O-N 3.11Å
78H29.1Very low46.8Very low209 Ų20991.7 Ų91.797%0.96855%0.548SS*.SBendtrans-52.150.4170.4-75.9-24.2000116.5
79G29.2Very low45.4Very low53 Ų5393.4 Ų93.455%0.54656%0.556SS.*  trans-109.380.9168.200000109.2A77 F81A77-G79 PolarHBondContact O-N 3.11Å; G79-F81 VanDerWaalsContact C-N 3.3Å; G79-F81 PolarHBondContact O-N 2.83Å
80G28.4Very low44.2Very low80 Ų8093.7 Ų93.783%0.82556%0.557SS**  trans-59.991.3172.300000110.9
81F29.6Very low43.6Very low166 Ų16691.5 Ų91.573%0.72855%0.55SS**  trans-106.986.1156.5-81.5-80.6000107.3G79 F83G79-F81 VanDerWaalsContact C-N 3.3Å; G79-F81 PolarHBondContact O-N 2.83Å; F81-F83 HydrophobicContact CB-CD2 3.79Å; F81-F83 HydrophobicContact CB-CE2 3.5Å; F81-F83 VanDerWaalsContact CB-CE2 3.5Å; F81-F83 HydrophobicContact CB-CZ 4.36Å; F81-F83 HydrophobicContact CD1-CE2 4.18Å; F81-F83 HydrophobicContact CD1-CZ 4.22Å; F81-F83 HydrophobicContact CG-CE2 4.05Å; F81-F83 PolarHBondContact O-N 3.13Å
82E31.5Very low43.1Very low181 Ų18195.2 Ų95.285%0.84656%0.564SS**  trans-70.981.8169.1-163.1173.9-167.900107.8S84E82-S84 PolarHBondContact O-N 3.13Å
83F34.9Very low42.1Very low78 Ų7898.5 Ų98.534%0.34258%0.577SS.*  trans-72108.6173.7-79.4-80.2000108.8F81 S85 D88 L89 M92F81-F83 HydrophobicContact CB-CD2 3.79Å; F81-F83 HydrophobicContact CB-CE2 3.5Å; F81-F83 VanDerWaalsContact CB-CE2 3.5Å; F81-F83 HydrophobicContact CB-CZ 4.36Å; F81-F83 HydrophobicContact CD1-CE2 4.18Å; F81-F83 HydrophobicContact CD1-CZ 4.22Å; F81-F83 HydrophobicContact CG-CE2 4.05Å; F81-F83 PolarHBondContact O-N 3.13Å; F83-S85 PolarHBondContact O-N 2.97Å; F83-S85 VanDerWaalsContact O-N 3.1Å; F83-D88 HydrophobicContact CD1-CB 3.87Å; F83-D88 HydrophobicContact CE1-CB 4.35Å; F83-L89 HydrophobicContact CB-CD1 4.4Å; F83-L89 HydrophobicContact CD1-CD1 4.21Å; F83-L89 HydrophobicContact CD2-CD1 3.45Å; F83-L89 VanDerWaalsContact CD2-CD1 3.45Å; F83-L89 HydrophobicContact CE1-CD1 4.36Å; F83-L89 HydrophobicContact CE2-CD1 3.62Å; F83-L89 HydrophobicContact CG-CD1 3.77Å; F83-L89 HydrophobicContact CZ-CD1 4.1Å; F83-M92 HydrophobicContact CE1-CE 4.34Å; F83-M92 HydrophobicContact CE1-SD 4.33Å; F83-M92 HydrophobicContact CE2-CE 4.05Å; F83-M92 HydrophobicContact CZ-CE 3.55Å; F83-M92 HydrophobicContact CZ-SD 3.77Å
84S41.2Very low41.4Very low122 Ų12292.9 Ų92.985%0.85355%0.553SS**SBendtrans-70.2-2.4-178.2-46.90000113.9E82E82-S84 PolarHBondContact O-N 3.13Å
85S40.6Very low41.1Very low43 Ų4389.9 Ų89.930%0.30155%0.546SS..  trans-156.6131.3179.9174.50000112.4F83 M87 D88F83-S85 PolarHBondContact O-N 2.97Å; F83-S85 VanDerWaalsContact O-N 3.1Å; S85-M87 PolarHBondContact O-N 3.01Å; S85-M87 VanDerWaalsContact O-N 3.09Å; S85-M87 PolarHBondContact OG-N 2.66Å; S85-D88 PolarHBondContact O-N 3.3Å; S85-D88 VanDerWaalsContact O-N 3.09Å
86P50.2Low41.4Very low41 Ų4192 Ų9227%0.26655%0.552SS.*Hα-helixtrans-56.9-18.8170.9-22.731.2000114.9K46 F90K46-P86 HydrophobicContact CD-CG 4.16Å; K46-P86 HydrophobicContact CG-CB 4.35Å; K46-P86 HydrophobicContact CG-CG 3.44Å; K46-P86 VanDerWaalsContact CG-CG 3.44Å; P86-F90 PolarHBondContact O-N 3.19Å
87M52.2Low41.5Very low64 Ų6492.6 Ų92.632%0.31556%0.558SS.*Hα-helixtrans-72.1-33.4175.3-70-72.4-78.200112.3P35 F45 S85 L89 F90 D91P35-M87 HydrophobicContact CG-CE 4.49Å; P35-M87 HydrophobicContact CG-SD 3.92Å; F45-M87 HydrophobicContact CE1-SD 4.37Å; S85-M87 PolarHBondContact O-N 3.01Å; S85-M87 VanDerWaalsContact O-N 3.09Å; S85-M87 PolarHBondContact OG-N 2.66Å; M87-L89 VanDerWaalsContact C-N 3.29Å; M87-L89 PolarHBondContact O-N 2.72Å; M87-F90 PolarHBondContact O-N 2.93Å; M87-D91 PolarHBondContact O-N 3.37Å
88D53.3Low41.8Very low91 Ų9191.3 Ų91.349%0.48755%0.554SS.*Hα-helixtrans-66.8-32.8176.6-92-27.5000111.8F83 S85 M92F83-D88 HydrophobicContact CD1-CB 3.87Å; F83-D88 HydrophobicContact CE1-CB 4.35Å; S85-D88 PolarHBondContact O-N 3.3Å; S85-D88 VanDerWaalsContact O-N 3.09Å; D88-M92 WeakPolarHBondContact O-CB 3.3Å; D88-M92 PolarHBondContact O-N 3.37Å
89L49.4Very low42.3Very low37 Ų3792.8 Ų92.819%0.19455%0.551CS.*Hα-helixtrans-70.1-34.4175.9-143.585.3000111.6E53 F83 M87 M92 F93E53-L89 HydrophobicContact CB-CD2 4.41Å; E53-L89 HydrophobicContact CG-CD2 4.04Å; E53-L89 WeakPolarHBondContact OE2-CD2 3.37Å; F83-L89 HydrophobicContact CB-CD1 4.4Å; F83-L89 HydrophobicContact CD1-CD1 4.21Å; F83-L89 HydrophobicContact CD2-CD1 3.45Å; F83-L89 VanDerWaalsContact CD2-CD1 3.45Å; F83-L89 HydrophobicContact CE1-CD1 4.36Å; F83-L89 HydrophobicContact CE2-CD1 3.62Å; F83-L89 HydrophobicContact CG-CD1 3.77Å; F83-L89 HydrophobicContact CZ-CD1 4.1Å; M87-L89 VanDerWaalsContact C-N 3.29Å; M87-L89 PolarHBondContact O-N 2.72Å; L89-M92 HydrophobicContact CD1-CE 4.22Å; L89-F93 WeakPolarHBondContact O-CB 3.46Å; L89-F93 PolarHBondContact O-N 2.9Å; L89-F93 VanDerWaalsContact O-N 3.15Å
90F48.3Very low42.8Very low54 Ų54101.9 Ų101.924%0.23757%0.569CS.*Hα-helixtrans-70.6-42.2175.5-170.2-100.2000111.9Y26 A30 P86 M87 M92 F93 F94Y26-F90 HydrophobicContact CE1-CD2 4.09Å; Y26-F90 AromaticContact CE1-CE2 3.75Å; Y26-F90 HydrophobicContact CE1-CE2 3.75Å; Y26-F90 VanDerWaalsContact OH-CD2 3.22Å; Y26-F90 WeakPolarHBondContact OH-CD2 3.46Å; A30-F90 HydrophobicContact CB-CE2 4.48Å; P86-F90 PolarHBondContact O-N 3.19Å; M87-F90 PolarHBondContact O-N 2.93Å; F90-M92 VanDerWaalsContact C-N 3.32Å; F90-M92 PolarHBondContact O-N 3.37Å; F90-F93 PolarHBondContact O-N 3.33Å; F90-F94 HydrophobicContact CD1-CB 4.47Å; F90-F94 HydrophobicContact CD2-CB 4.46Å; F90-F94 AromaticContact CD2-CD2 3.75Å; F90-F94 HydrophobicContact CD2-CD2 3.75Å; F90-F94 HydrophobicContact CD2-CE2 4.4Å; F90-F94 HydrophobicContact CD2-CG 4.28Å; F90-F94 HydrophobicContact CE1-CB 4.25Å; F90-F94 HydrophobicContact CE2-CB 4.28Å; F90-F94 AromaticContact CE2-CD2 3.69Å; F90-F94 HydrophobicContact CE2-CD2 3.69Å; F90-F94 HydrophobicContact CE2-CE2 4.21Å; F90-F94 AromaticContact CE2-CG 3.92Å; F90-F94 HydrophobicContact CE2-CG 3.92Å; F90-F94 HydrophobicContact CZ-CB 4.16Å; F90-F94 HydrophobicContact CZ-CD2 4.37Å; F90-F94 HydrophobicContact CZ-CG 4.15Å; F90-F94 WeakPolarHBondContact O-CA 3.24Å; F90-F94 WeakPolarHBondContact O-CB 3.44Å; F90-F94 PolarHBondContact O-N 2.79Å
91D56.9Low43.4Very low106 Ų106101.9 Ų101.957%0.56757%0.569SS**Hα-helixtrans-66-34175.5-84.1-33.8000112.3M87 G95M87-D91 PolarHBondContact O-N 3.37Å; D91-G95 VanDerWaalsContact O-CA 3.23Å; D91-G95 WeakPolarHBondContact O-CA 3.28Å; D91-G95 PolarHBondContact O-N 2.93Å; D91-G95 VanDerWaalsContact O-N 3.1Å
92M55.3Low44.2Very low106 Ų106105.1 Ų105.152%0.52258%0.576SS.*Hα-helixtrans-71-37.8176.8-170.3173.568.500113.1F83 D88 L89 F90 S96F83-M92 HydrophobicContact CE1-CE 4.34Å; F83-M92 HydrophobicContact CE1-SD 4.33Å; F83-M92 HydrophobicContact CE2-CE 4.05Å; F83-M92 HydrophobicContact CZ-CE 3.55Å; F83-M92 HydrophobicContact CZ-SD 3.77Å; D88-M92 WeakPolarHBondContact O-CB 3.3Å; D88-M92 PolarHBondContact O-N 3.37Å; L89-M92 HydrophobicContact CD1-CE 4.22Å; F90-M92 VanDerWaalsContact C-N 3.32Å; F90-M92 PolarHBondContact O-N 3.37Å; M92-S96 WeakPolarHBondContact O-CB 3.39Å
93F42.3Very low45Very low119 Ų119105 Ų10552%0.52258%0.576SS.*Hα-helixtrans-97.5-32.3-173.5-152.3-96.7000114.2Y52 L89 F90Y52-F93 HydrophobicContact CE1-CD1 4.09Å; Y52-F93 AromaticContact CE1-CE1 3.93Å; Y52-F93 HydrophobicContact CE1-CE1 3.93Å; L89-F93 WeakPolarHBondContact O-CB 3.46Å; L89-F93 PolarHBondContact O-N 2.9Å; L89-F93 VanDerWaalsContact O-N 3.15Å; F90-F93 PolarHBondContact O-N 3.33Å
94F47.4Very low45.9Very low54 Ų54112.5 Ų112.524%0.23760%0.602CS.*Hα-helixtrans-100.3-11.5176.7-79.2-91.5000113.9Y26 R27 Y52 F90Y26-F94 AromaticContact CD1-CE2 3.71Å; Y26-F94 HydrophobicContact CD1-CE2 3.71Å; Y26-F94 AromaticContact CD1-CZ 3.53Å; Y26-F94 HydrophobicContact CD1-CZ 3.53Å; Y26-F94 HydrophobicContact CE1-CD2 4.07Å; Y26-F94 AromaticContact CE1-CE2 3.25Å; Y26-F94 HydrophobicContact CE1-CE2 3.25Å; Y26-F94 AromaticContact CE1-CZ 3.56Å; Y26-F94 HydrophobicContact CE1-CZ 3.56Å; R27-F94 HydrophobicContact CG-CE1 4.49Å; Y52-F94 HydrophobicContact CD1-CE2 4.36Å; Y52-F94 AromaticContact CE1-CE2 3.72Å; Y52-F94 HydrophobicContact CE1-CE2 3.72Å; Y52-F94 AromaticContact CE1-CZ 3.94Å; Y52-F94 HydrophobicContact CE1-CZ 3.94Å; F90-F94 HydrophobicContact CD1-CB 4.47Å; F90-F94 HydrophobicContact CD2-CB 4.46Å; F90-F94 AromaticContact CD2-CD2 3.75Å; F90-F94 HydrophobicContact CD2-CD2 3.75Å; F90-F94 HydrophobicContact CD2-CE2 4.4Å; F90-F94 HydrophobicContact CD2-CG 4.28Å; F90-F94 HydrophobicContact CE1-CB 4.25Å; F90-F94 HydrophobicContact CE2-CB 4.28Å; F90-F94 AromaticContact CE2-CD2 3.69Å; F90-F94 HydrophobicContact CE2-CD2 3.69Å; F90-F94 HydrophobicContact CE2-CE2 4.21Å; F90-F94 AromaticContact CE2-CG 3.92Å; F90-F94 HydrophobicContact CE2-CG 3.92Å; F90-F94 HydrophobicContact CZ-CB 4.16Å; F90-F94 HydrophobicContact CZ-CD2 4.37Å; F90-F94 HydrophobicContact CZ-CG 4.15Å; F90-F94 WeakPolarHBondContact O-CA 3.24Å; F90-F94 WeakPolarHBondContact O-CB 3.44Å; F90-F94 PolarHBondContact O-N 2.79Å
95G41.8Very low46.9Very low62 Ų62113.7 Ų113.764%0.63959%0.594SS**SBendtrans-90.9-6.3173.700000115.6D91D91-G95 VanDerWaalsContact O-CA 3.23Å; D91-G95 WeakPolarHBondContact O-CA 3.28Å; D91-G95 PolarHBondContact O-N 2.93Å; D91-G95 VanDerWaalsContact O-N 3.1Å
96S40.4Very low48.4Very low105 Ų105121.4 Ų121.473%0.73462%0.616SS**SBendtrans-1249.2-166.5-142.90000116.5M92M92-S96 WeakPolarHBondContact O-CB 3.39Å
97G37.8Very low50Low76 Ų76125.1 Ų125.178%0.78463%0.625SS**SBendtrans-112.985.7-179.700000113.4
98G38.3Very low51.5Low70 Ų70122.7 Ų122.772%0.72262%0.617SS**SBendtrans104.869.3162.100000115.9
99R39.6Very low53.1Low241 Ų241127.5 Ų127.591%0.90963%0.633SS**SBendtrans-169130.6134.6-99.6155.2-164.6-150.64.1105.7G101R99-G101 PolarHBondContact O-N 2.95Å; R99-G101 VanDerWaalsContact O-N 3.12Å
100R38.7Very low55.2Low244 Ų244129.2 Ų129.292%0.92164%0.643SS**  trans-18115.2168-67.4172177.4165.5-1.8109.5R102R100-R102 PolarHBondContact O-N 2.84Å
101G42Very low57.3Low80 Ų80128.9 Ų128.983%0.82565%0.645SS**  trans-5389.6167.400000106.8R99 Q103R99-G101 PolarHBondContact O-N 2.95Å; R99-G101 VanDerWaalsContact O-N 3.12Å; G101-Q103 PolarHBondContact O-N 3.5Å
102R45.9Very low59.1Low234 Ų234129.2 Ų129.288%0.88365%0.645SS**  trans-65.193.9162.1-166.7177.7-168.11773.1100R100 R104R100-R102 PolarHBondContact O-N 2.84Å; R102-R104 VanDerWaalsContact C-N 3.25Å; R102-R104 WeakPolarHBondContact O-CA 3.31Å; R102-R104 PolarHBondContact O-N 3.33Å
103Q49.4Very low60.9Low177 Ų177126.9 Ų126.983%0.82763%0.633SS**  trans-3299.5174.9179177.4-0.400105.3G101 E105G101-Q103 PolarHBondContact O-N 3.5Å; Q103-E105 VanDerWaalsContact C-N 3.26Å; Q103-E105 PolarHBondContact O-N 3.37Å
104R53.8Low63.4Low236 Ų236128.4 Ų128.489%0.89164%0.642SS**  trans-64.6105-174.4-147178.7-173.8-177.81.4101.1R102 R106R102-R104 VanDerWaalsContact C-N 3.25Å; R102-R104 WeakPolarHBondContact O-CA 3.31Å; R102-R104 PolarHBondContact O-N 3.33Å; R104-R106 PolarHBondContact O-N 3.42Å
105E61.4Low65.7Low148 Ų148126.6 Ų126.669%0.69264%0.635SS**PPolyproline II helixtrans-48.1119.4-175.8-87.7176.4154.600105.6Q103 R107Q103-E105 VanDerWaalsContact C-N 3.26Å; Q103-E105 PolarHBondContact O-N 3.37Å; E105-R107 PolarHBondContact O-N 3.36Å
106R73Confident68.3Low205 Ų205126.7 Ų126.777%0.77462%0.623SS**PPolyproline II helixtrans-55.8119.4-178.8-70-178.9175.2-176.5-2.1105R104 V238 R239R104-R106 PolarHBondContact O-N 3.42Å; R106-V238 HydrophobicContact CB-CG1 4.13Å; R106-V238 HydrophobicContact CB-CG2 4.15Å; R106-V238 CarbonylContact O-C 3.49Å; R106-V238 WeakPolarHBondContact O-CA 3.38Å; R106-V238 WeakPolarHBondContact O-CG1 3.39Å; R106-R239 PolarHBondContact O-N 2.95Å
107R83.3Confident70.9Confident118 Ų118121.7 Ų121.745%0.44559%0.588SS.*BIsolated β-bridgetrans-96.4136.9178.2-173.2-178.1156.6157.9-2.5108.2E105 D110 R239 D242E105-R107 PolarHBondContact O-N 3.36Å; R107-D110 IonicContact CZ-OD1 2.69Å; R107-D110 IonicContact NE-OD1 2.93Å; R107-D110 IonicContact NH2-OD1 2.84Å; R107-D110 PolarHBondContact NH2-OD1 2.81Å; R107-D110 IonicContact NH2-OD2 3.08Å; R107-D110 PolarHBondContact NH2-OD2 2.82Å; R107-R239 CarbonylContact C-O 3.55Å; R107-R239 VanDerWaalsContact CA-O 3.3Å; R107-R239 WeakPolarHBondContact CA-O 3.49Å; R107-D242 IonicContact CZ-OD2 2.77Å; R107-D242 IonicContact NH1-OD2 2.84Å; R107-D242 IonicContact NH2-OD1 3.37Å; R107-D242 PolarHBondContact NH2-OD1 2.93Å; R107-D242 IonicContact NH2-OD2 3.53Å; R107-D242 PolarHBondContact NH2-OD2 3.06Å
108G82.7Confident73.7Confident14 Ų14119.3 Ų119.314%0.14456%0.56CS.*PPolyproline II helixtrans-62.5159.9171.600000110.9R239 G241G108-R239 PolarHBondContact N-O 2.85Å; G108-G241 WeakPolarHBondContact O-CA 3.23Å
109K88.5Confident76.4Confident191 Ų191116.1 Ų116.183%0.8353%0.526SS*.PPolyproline II helixtrans-71.4142175.8-62.9-179.2-179.1-178.60109.3
110D92.8Very high79.1Confident74 Ų74110 Ų11040%0.39651%0.506SS..PPolyproline II helixtrans-72.1146.8173-59.9-21.3000109.9R107 G241 D242 I244R107-D110 IonicContact CZ-OD1 2.69Å; R107-D110 IonicContact NE-OD1 2.93Å; R107-D110 IonicContact NH2-OD1 2.84Å; R107-D110 PolarHBondContact NH2-OD1 2.81Å; R107-D110 IonicContact NH2-OD2 3.08Å; R107-D110 PolarHBondContact NH2-OD2 2.82Å; D110-G241 WeakPolarHBondContact OD1-CA 3.1Å; D110-D242 CarbonylContact C-O 3.51Å; D110-D242 VanDerWaalsContact CA-O 3.24Å; D110-D242 WeakPolarHBondContact CA-O 3.28Å; D110-D242 WeakPolarHBondContact CB-O 2.94Å; D110-D242 PolarHBondContact OD1-N 2.63Å; D110-I244 HydrophobicContact CB-CD1 4.21Å
111V91.9Very high81.8Confident47 Ų47100.3 Ų100.329%0.28547%0.471SS..EExtended strand (participates in β ladder)trans-110.3126.6179.5-177.80000108.5H113 D242 V243 I244V111-H113 WeakPolarHBondContact CG1-NE2 3.37Å; V111-D242 PolarHBondContact N-O 3.27Å; V111-V243 HydrophobicContact CB-CG2 4.39Å; V111-V243 CarbonylContact O-C 3.56Å; V111-V243 WeakPolarHBondContact O-CA 3.48Å; V111-I244 PolarHBondContact O-N 3.29Å
112I94.2Very high84.3Confident112 Ų11296.5 Ų96.557%0.57443%0.432SS*.EExtended strand (participates in β ladder)trans-102.8126.6-179.6-56.9174.2000109.1I244 I246I112-I244 CarbonylContact C-O 3.56Å; I112-I244 WeakPolarHBondContact CA-O 3.48Å; I112-I244 HydrophobicContact CG1-CB 4.44Å; I112-I246 HydrophobicContact CG2-CD1 3.58Å; I112-I246 HydrophobicContact CG2-CG1 3.94Å
113H93.4Very high86.7Confident58 Ų5885.7 Ų85.727%0.26939%0.391SS..EExtended strand (participates in β ladder)trans-119.3134172.7-74-68.8000110.3V111 L130 I132 I244 I245 I246V111-H113 WeakPolarHBondContact CG1-NE2 3.37Å; H113-L130 HydrophobicContact CB-CD2 4.18Å; H113-I132 WeakPolarHBondContact NE2-CG2 3.35Å; H113-I244 PolarHBondContact N-O 3.08Å; H113-I245 HydrophobicContact CB-CG1 4.46Å; H113-I245 CarbonylContact O-C 3.5Å; H113-I245 VanDerWaalsContact O-CA 3.3Å; H113-I245 WeakPolarHBondContact O-CA 3.48Å; H113-I246 PolarHBondContact O-N 2.92Å
114Q95.1Very high88.9Confident150 Ų15079.7 Ų79.770%0.70137%0.366SS*.EExtended strand (participates in β ladder)trans-90.9129.4169-73.7173.8-19.900109.1I246Q114-I246 WeakPolarHBondContact CA-O 3.42Å
115L95.5Very high90.8Very high16 Ų1669.5 Ų69.58%0.08434%0.335CS..EExtended strand (participates in β ladder)trans-115.7107176.1179.566.4000108.6V117 R128 V214 I245 I246 L247 D248L115-V117 HydrophobicContact CD2-CG2 4.32Å; L115-V117 HydrophobicContact CG-CG2 4.11Å; L115-V117 PolarHBondContact O-N 3.4Å; L115-R128 HydrophobicContact CD2-CB 4.22Å; L115-V214 HydrophobicContact CD2-CB 4.09Å; L115-V214 HydrophobicContact CD2-CG1 3.97Å; L115-V214 HydrophobicContact CD2-CG2 4.25Å; L115-I245 HydrophobicContact CB-CG2 3.62Å; L115-I245 HydrophobicContact CD2-CG2 4.2Å; L115-I246 PolarHBondContact N-O 3.38Å; L115-L247 HydrophobicContact CB-CD2 4.32Å; L115-L247 HydrophobicContact CD2-CD2 4.01Å; L115-D248 PolarHBondContact O-N 3.35Å
116T96.3Very high92.4Very high65 Ų6563.9 Ų63.940%0.39931%0.312SS..EExtended strand (participates in β ladder)trans-70122.2175.2-510000110.2R128 D248 Q250T116-R128 VanDerWaalsContact O-CZ 3.32Å; T116-R128 PolarHBondContact O-NH1 2.91Å; T116-D248 CarbonylContact C-O 3.45Å; T116-D248 VanDerWaalsContact CA-O 3.29Å; T116-D248 WeakPolarHBondContact CA-O 3.49Å; T116-Q250 HydrophobicContact CG2-CB 3.85Å; T116-Q250 HydrophobicContact CG2-CG 4.28Å
117V96Very high93.5Very high0 Ų058.4 Ų58.40%030%0.301CS..EExtended strand (participates in β ladder)trans-121.8137.4-176.6-179.30000109.7L115 E121 M122 I216 L247 D248 Q250L115-V117 HydrophobicContact CD2-CG2 4.32Å; L115-V117 HydrophobicContact CG-CG2 4.11Å; L115-V117 PolarHBondContact O-N 3.4Å; V117-E121 HydrophobicContact CG1-CB 3.75Å; V117-M122 HydrophobicContact CB-CG 4.37Å; V117-M122 HydrophobicContact CG1-CG 3.61Å; V117-M122 HydrophobicContact CG1-SD 4.44Å; V117-I216 HydrophobicContact CB-CD1 4.4Å; V117-I216 HydrophobicContact CG1-CD1 3.77Å; V117-I216 HydrophobicContact CG1-CG2 4.1Å; V117-I216 HydrophobicContact CG2-CD1 3.62Å; V117-I216 HydrophobicContact CG2-CG1 4.38Å; V117-L247 HydrophobicContact CG2-CD2 3.96Å; V117-D248 PolarHBondContact N-O 2.91Å; V117-Q250 WeakPolarHBondContact O-CB 3.39Å; V117-Q250 PolarHBondContact O-N 3.33Å
118S96.1Very high94Very high26 Ų2656.3 Ų56.318%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-75147176.6680000111.8K120 E121 M122S118-K120 PolarHBondContact O-N 3.14Å; S118-K120 VanDerWaalsContact O-N 3.13Å; S118-E121 WeakPolarHBondContact O-CB 3.2Å; S118-E121 PolarHBondContact O-N 2.77Å; S118-E121 VanDerWaalsContact OG-CG 3.24Å; S118-E121 WeakPolarHBondContact OG-CG 3.39Å; S118-E121 PolarHBondContact OG-N 2.71Å; S118-E121 PolarHBondContact OG-OE1 2.7Å; S118-M122 PolarHBondContact O-N 3.05Å; S118-M122 VanDerWaalsContact O-N 3.13Å
119L95.7Very high94.5Very high2 Ų262.5 Ų62.51%0.0132%0.316CS..Hα-helixtrans-54.3-34.6175.6-177.461.4000112.7M122 Y123 E249 H252 F255 R257 L262 L284 M312L119-M122 PolarHBondContact O-N 2.88Å; L119-Y123 WeakPolarHBondContact O-CB 3.47Å; L119-Y123 PolarHBondContact O-N 3.44Å; L119-E249 WeakPolarHBondContact CD1-OE1 3.3Å; L119-H252 HydrophobicContact CB-CB 4.13Å; L119-H252 HydrophobicContact CD2-CB 3.96Å; L119-F255 HydrophobicContact CD2-CB 3.73Å; L119-R257 HydrophobicContact CD1-CB 3.92Å; L119-R257 HydrophobicContact CD1-CG 4.27Å; L119-L262 HydrophobicContact CD1-CD2 4.41Å; L119-L262 HydrophobicContact CD2-CD2 3.95Å; L119-L284 HydrophobicContact CD2-CD1 4.02Å; L119-L284 HydrophobicContact CD2-CD2 4.48Å; L119-L284 HydrophobicContact CG-CD1 3.8Å; L119-L284 HydrophobicContact CG-CD2 4.42Å; L119-M312 HydrophobicContact CD1-CE 3.86Å; L119-M312 HydrophobicContact CD1-SD 3.7Å; L119-M312 HydrophobicContact CG-SD 4.46Å
120K95.4Very high94.7Very high113 Ų11355.1 Ų55.149%0.49129%0.286SS..Hα-helixtrans-60.8-45.4174.8178.8170.5-177.7175.60112.2S118 M122 Y123 T124 L284S118-K120 PolarHBondContact O-N 3.14Å; S118-K120 VanDerWaalsContact O-N 3.13Å; K120-M122 VanDerWaalsContact C-N 3.33Å; K120-Y123 WeakPolarHBondContact O-CB 3.19Å; K120-Y123 PolarHBondContact O-N 3.16Å; K120-Y123 VanDerWaalsContact O-N 3.13Å; K120-T124 PolarHBondContact O-N 3.2Å; K120-T124 PolarHBondContact O-OG1 3.33Å; K120-L284 HydrophobicContact CB-CD2 4.26Å; K120-L284 VanDerWaalsContact CE-O 3.3Å; K120-L284 WeakPolarHBondContact CE-O 3.39Å; K120-L284 WeakPolarHBondContact CG-O 3.38Å
121E95.6Very high94.7Very high40 Ų4053.6 Ų53.619%0.18728%0.284CS..Hα-helixtrans-66.4-36.7178.3-74.8164.3-137.200112.2V117 S118 Y123 G125 S126 R128V117-E121 HydrophobicContact CG1-CB 3.75Å; S118-E121 WeakPolarHBondContact O-CB 3.2Å; S118-E121 PolarHBondContact O-N 2.77Å; S118-E121 VanDerWaalsContact OG-CG 3.24Å; S118-E121 WeakPolarHBondContact OG-CG 3.39Å; S118-E121 PolarHBondContact OG-N 2.71Å; S118-E121 PolarHBondContact OG-OE1 2.7Å; E121-Y123 PolarHBondContact O-N 3.02Å; E121-G125 CarbonylContact O-C 3.19Å; E121-G125 WeakPolarHBondContact O-CA 3.38Å; E121-G125 PolarHBondContact O-N 3.29Å; E121-S126 WeakPolarHBondContact CB-OG 3.3Å; E121-R128 IonicContact OE1-CZ 2.73Å; E121-R128 IonicContact OE1-NE 2.71Å; E121-R128 IonicContact OE1-NH2 3.65Å; E121-R128 PolarHBondContact OE1-NH2 2.81Å; E121-R128 IonicContact OE2-CZ 3.87Å; E121-R128 IonicContact OE2-NE 2.69Å; E121-R128 PolarHBondContact OE2-NE 3.11Å; E121-R128 IonicContact OE2-NH2 3.12Å; E121-R128 PolarHBondContact OE2-NH2 3.4Å
122M95.4Very high94.6Very high0 Ų052.1 Ų52.10%027%0.274CS..Hα-helixtrans-67.1-26173.7-58.8174.987.900112V117 S118 L119 K120 G219 V220 E249 R257 M312V117-M122 HydrophobicContact CB-CG 4.37Å; V117-M122 HydrophobicContact CG1-CG 3.61Å; V117-M122 HydrophobicContact CG1-SD 4.44Å; S118-M122 PolarHBondContact O-N 3.05Å; S118-M122 VanDerWaalsContact O-N 3.13Å; L119-M122 PolarHBondContact O-N 2.88Å; K120-M122 VanDerWaalsContact C-N 3.33Å; M122-G219 PolarHBondContact O-N 3.26Å; M122-V220 HydrophobicContact CB-CG1 4.22Å; M122-V220 HydrophobicContact CE-CG1 3.78Å; M122-V220 VanDerWaalsContact CE-O 3.22Å; M122-V220 WeakPolarHBondContact CE-O 3.19Å; M122-V220 HydrophobicContact CG-CG1 4.06Å; M122-E249 HydrophobicContact CE-CB 4.22Å; M122-E249 HydrophobicContact CE-CG 4.45Å; M122-E249 HydrophobicContact SD-CB 3.82Å; M122-E249 HydrophobicContact SD-CG 3.6Å; M122-R257 VanDerWaalsContact CE-NH1 3.27Å; M122-M312 HydrophobicContact CB-CE 3.94Å
123Y95.8Very high94.5Very high7 Ų753 Ų533%0.02728%0.275CS..Hα-helixtrans-78.9-53.9176.6-167.7-71000111.8L119 K120 E121 L262 L284 D285 G311 M312 K321L119-Y123 WeakPolarHBondContact O-CB 3.47Å; L119-Y123 PolarHBondContact O-N 3.44Å; K120-Y123 WeakPolarHBondContact O-CB 3.19Å; K120-Y123 PolarHBondContact O-N 3.16Å; K120-Y123 VanDerWaalsContact O-N 3.13Å; E121-Y123 PolarHBondContact O-N 3.02Å; Y123-L262 HydrophobicContact CD2-CD1 4.37Å; Y123-L262 HydrophobicContact CE2-CD1 4.18Å; Y123-L284 HydrophobicContact CD1-CB 4.29Å; Y123-L284 HydrophobicContact CD2-CB 3.93Å; Y123-L284 HydrophobicContact CD2-CD1 3.52Å; Y123-L284 HydrophobicContact CD2-CG 4.33Å; Y123-L284 HydrophobicContact CE2-CB 4.44Å; Y123-L284 HydrophobicContact CE2-CD1 4.26Å; Y123-L284 HydrophobicContact CG-CB 3.81Å; Y123-L284 HydrophobicContact CG-CD1 4.02Å; Y123-D285 WeakPolarHBondContact CD1-OD1 3.19Å; Y123-D285 HydrophobicContact CE1-CB 4.41Å; Y123-D285 WeakPolarHBondContact CE1-OD1 3.17Å; Y123-D285 WeakPolarHBondContact CE1-OD2 3.49Å; Y123-G311 WeakPolarHBondContact CE2-O 3.41Å; Y123-M312 HydrophobicContact CD2-SD 3.64Å; Y123-M312 HydrophobicContact CG-SD 4.4Å; Y123-K321 WeakPolarHBondContact OH-CE 3.15Å; Y123-K321 PolarHBondContact OH-NZ 3.33Å
124T94.2Very high94.4Very high51 Ų5151.2 Ų51.231%0.31327%0.267SS..Hα-helixtrans-80.8-19.5-175.2600000113.2K120 K218 D285K120-T124 PolarHBondContact O-N 3.2Å; K120-T124 PolarHBondContact O-OG1 3.33Å; T124-K218 WeakPolarHBondContact O-CE 3.49Å; T124-K218 WeakPolarHBondContact O-CG 3.48Å; T124-D285 WeakPolarHBondContact CG2-OD1 3.45Å
125G94.1Very high94.3Very high22 Ų2245.8 Ų45.823%0.22724%0.242CC..  trans74.4146.3-161.300000110.9E121 I216E121-G125 CarbonylContact O-C 3.19Å; E121-G125 WeakPolarHBondContact O-CA 3.38Å; E121-G125 PolarHBondContact O-N 3.29Å; G125-I216 WeakPolarHBondContact CA-O 3.45Å
126S94.9Very high94.2Very high31 Ų3145.9 Ų45.922%0.21724%0.244CC..EExtended strand (participates in β ladder)trans-157165.8177.874.90000110.9E121 I216E121-S126 WeakPolarHBondContact CB-OG 3.3Å; S126-I216 PolarHBondContact N-O 3.42Å; S126-I216 VanDerWaalsContact N-O 3.11Å; S126-I216 WeakPolarHBondContact O-CB 3.49Å; S126-I216 PolarHBondContact O-N 3.13Å; S126-I216 WeakPolarHBondContact OG-CD1 3.25Å
127V95.7Very high94.1Very high90 Ų9044.5 Ų44.555%0.54524%0.235SC..EExtended strand (participates in β ladder)trans-116.4119.6170.9-178.70000107.9E213 V214V127-E213 HydrophobicContact CG1-CB 4.16Å; V127-V214 WeakPolarHBondContact CA-O 3.47Å
128R94Very high93.9Very high73 Ų7344.5 Ų44.528%0.27524%0.235SC..EExtended strand (participates in β ladder)trans-104.6139.9176.8-81.7-160.2174.1-1598.3111.4L115 T116 E121 V214 I216L115-R128 HydrophobicContact CD2-CB 4.22Å; T116-R128 VanDerWaalsContact O-CZ 3.32Å; T116-R128 PolarHBondContact O-NH1 2.91Å; E121-R128 IonicContact OE1-CZ 2.73Å; E121-R128 IonicContact OE1-NE 2.71Å; E121-R128 IonicContact OE1-NH2 3.65Å; E121-R128 PolarHBondContact OE1-NH2 2.81Å; E121-R128 IonicContact OE2-CZ 3.87Å; E121-R128 IonicContact OE2-NE 2.69Å; E121-R128 PolarHBondContact OE2-NE 3.11Å; E121-R128 IonicContact OE2-NH2 3.12Å; E121-R128 PolarHBondContact OE2-NH2 3.4Å; R128-V214 PolarHBondContact N-O 3.27Å; R128-V214 PolarHBondContact O-N 3.48Å; R128-I216 HydrophobicContact CB-CD1 4.16Å; R128-I216 HydrophobicContact CG-CD1 3.8Å
129K93.9Very high93.7Very high144 Ų14447.2 Ų47.263%0.62625%0.252SS*.EExtended strand (participates in β ladder)trans-100.4115.2176-59.9-164.9-179.6-1500109.7V211 I212 E213K129-V211 HydrophobicContact CB-CG1 3.74Å; K129-V211 HydrophobicContact CD-CG1 4.33Å; K129-V211 HydrophobicContact CG-CG1 4.39Å; K129-I212 WeakPolarHBondContact CA-O 3.36Å; K129-E213 WeakPolarHBondContact CE-OE1 3.43Å; K129-E213 HydrophobicContact CG-CG 4.27Å; K129-E213 IonicContact NZ-OE1 3.45Å; K129-E213 PolarHBondContact NZ-OE1 3.46Å
130L92.3Very high93.5Very high36 Ų3653.9 Ų53.919%0.18828%0.281CS..EExtended strand (participates in β ladder)trans-104.2119.9176.2-176.465.1000109.9H113 I132 V211 I212 V214 I245H113-L130 HydrophobicContact CB-CD2 4.18Å; L130-I132 HydrophobicContact CD2-CD1 3.88Å; L130-I132 HydrophobicContact CD2-CG1 3.98Å; L130-I132 HydrophobicContact CG-CD1 4.3Å; L130-I132 HydrophobicContact CG-CG1 3.89Å; L130-V211 WeakPolarHBondContact O-CA 3.34Å; L130-I212 PolarHBondContact N-O 2.95Å; L130-I212 PolarHBondContact O-N 3.09Å; L130-V214 HydrophobicContact CB-CG2 4.43Å; L130-I245 HydrophobicContact CD2-CD1 3.67Å; L130-I245 HydrophobicContact CD2-CG1 4.34Å
131A92.6Very high93.2Very high43 Ų4348.8 Ų48.836%0.35526%0.26SS..EExtended strand (participates in β ladder)trans-87.4119.1173.800000110.1K210 V211A131-K210 WeakPolarHBondContact CA-O 3.42Å; A131-V211 HydrophobicContact CB-CG2 4.34Å
132I91.2Very high92.9Very high15 Ų1552.5 Ų52.58%0.07728%0.281CS..EExtended strand (participates in β ladder)trans-117.6142.5-180-49.5-179.2000109H113 L130 R209 K210 I212 V243H113-I132 WeakPolarHBondContact NE2-CG2 3.35Å; L130-I132 HydrophobicContact CD2-CD1 3.88Å; L130-I132 HydrophobicContact CD2-CG1 3.98Å; L130-I132 HydrophobicContact CG-CD1 4.3Å; L130-I132 HydrophobicContact CG-CG1 3.89Å; I132-R209 WeakPolarHBondContact O-CA 3.22Å; I132-K210 PolarHBondContact N-O 2.99Å; I132-K210 PolarHBondContact O-N 3.24Å; I132-I212 HydrophobicContact CD1-CD1 3.57Å; I132-I212 HydrophobicContact CD1-CG1 4.21Å; I132-I212 HydrophobicContact CG1-CD1 4.47Å; I132-V243 HydrophobicContact CD1-CG1 3.79Å
133H91.3Very high92.5Very high131 Ų13152.7 Ų52.761%0.60628%0.283SS*.EExtended strand (participates in β ladder)trans-97.6124.6168.8-68.4-81000108.8Q208H133-Q208 WeakPolarHBondContact CA-O 3.39Å
134K91.6Very high92.1Very high20 Ų2057.7 Ų57.79%0.08731%0.305CS..EExtended strand (participates in β ladder)trans-129.5152175.869.4176.9-169.7174.10111.8V136 Q208 E231 D233K134-V136 HydrophobicContact CG-CG2 4.02Å; K134-Q208 PolarHBondContact N-O 3.45Å; K134-Q208 PolarHBondContact O-N 2.96Å; K134-E231 VanDerWaalsContact CD-O 3.25Å; K134-E231 WeakPolarHBondContact CD-O 3.27Å; K134-E231 IonicContact NZ-OE2 2.87Å; K134-E231 PolarHBondContact NZ-OE2 2.97Å; K134-D233 WeakPolarHBondContact CA-OD1 3.38Å
135N93Very high91.7Very high36 Ų3655.2 Ų55.219%0.19329%0.29CS..EExtended strand (participates in β ladder)trans-78.6131169.1-65-48.4000109.3I205 I206 K207 D233 Q234N135-I205 HydrophobicContact CB-CB 4.49Å; N135-I205 HydrophobicContact CB-CD1 4.04Å; N135-I206 WeakPolarHBondContact CA-O 3.46Å; N135-K207 WeakPolarHBondContact OD1-CG 3.47Å; N135-D233 HydrophobicContact CB-CB 4.22Å; N135-D233 PolarHBondContact N-OD1 2.87Å; N135-D233 PolarHBondContact ND2-OD1 3.3Å; N135-D233 PolarHBondContact ND2-OD2 3.47Å; N135-D233 VanDerWaalsContact ND2-OD2 3.09Å; N135-Q234 WeakPolarHBondContact O-CB 3.22Å; N135-Q234 PolarHBondContact O-N 3.47Å
136V93.7Very high91.5Very high18 Ų1854.2 Ų54.211%0.10928%0.279CS..EExtended strand (participates in β ladder)trans-124.2142.6179.9-154.80000107.5K134 C138 I205 I206 Q208K134-V136 HydrophobicContact CG-CG2 4.02Å; V136-C138 PolarHBondContact O-N 3.16Å; V136-I205 CarbonylContact O-C 3.44Å; V136-I205 VanDerWaalsContact O-CA 3.32Å; V136-I205 WeakPolarHBondContact O-CA 3.28Å; V136-I206 HydrophobicContact CB-CG1 4.37Å; V136-I206 PolarHBondContact N-O 2.88Å; V136-I206 PolarHBondContact O-N 3.21Å; V136-Q208 HydrophobicContact CG2-CB 3.46Å; V136-Q208 VanDerWaalsContact CG2-CB 3.46Å; V136-Q208 HydrophobicContact CG2-CG 4.42Å
137V93.1Very high90.8Very high37 Ų3758.7 Ų58.722%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-56.9132.1174175.40000108.4P139 G143 Q234V137-P139 VanDerWaalsContact O-CD 3.3Å; V137-P139 WeakPolarHBondContact O-CD 3.43Å; V137-P139 VanDerWaalsContact O-N 3.09Å; V137-G143 VanDerWaalsContact CG1-N 3.28Å; V137-Q234 HydrophobicContact CG2-CB 4.02Å; V137-Q234 VanDerWaalsContact N-OE1 3.1Å
138C92.7Very high90.1Very high0 Ų059.9 Ų59.90%030%0.298CS..  trans-60.7117.2-175.3-179.30000109.9V136 K140 C141 D142 C200 K204 I206V136-C138 PolarHBondContact O-N 3.16Å; C138-K140 PolarHBondContact O-N 2.93Å; C138-C141 PolarHBondContact O-N 3.07Å; C138-D142 WeakPolarHBondContact O-CA 3.37Å; C138-D142 PolarHBondContact O-N 2.82Å; C138-C200 HydrophobicContact CB-CB 3.9Å; C138-K204 VanDerWaalsContact CB-O 3.32Å; C138-K204 WeakPolarHBondContact CB-O 3.4Å; C138-K204 PolarHBondContact N-O 3.19Å; C138-I206 HydrophobicContact CB-CG2 4.2Å
139P91.3Very high89.2Confident83 Ų8357.9 Ų57.954%0.53930%0.301SS..THydrogen-bonded Turntrans-71.2-15.1-173.828.8-35.1000113V137 I206V137-P139 VanDerWaalsContact O-CD 3.3Å; V137-P139 WeakPolarHBondContact O-CD 3.43Å; V137-P139 VanDerWaalsContact O-N 3.09Å; P139-I206 HydrophobicContact CG-CD1 4.21Å
140K90.8Very high88.2Confident142 Ų14255.3 Ų55.362%0.61729%0.292SS*.THydrogen-bonded Turntrans-84.1-24177.4-81.4-172.6-164.6-178.20114.3C138 Q199C138-K140 PolarHBondContact O-N 2.93Å; K140-Q199 HydrophobicContact CD-CB 3.9Å
141C90.1Very high87.6Confident6 Ų655.4 Ų55.44%0.04130%0.298CS..THydrogen-bonded Turntrans-1286.5-179.364.60000113.2C138 G143 K144 G145 S146 C197C138-C141 PolarHBondContact O-N 3.07Å; C141-G143 PolarHBondContact O-N 2.8Å; C141-G143 VanDerWaalsContact O-N 3.1Å; C141-K144 WeakPolarHBondContact O-CB 3.44Å; C141-K144 WeakPolarHBondContact O-CG 3.4Å; C141-K144 PolarHBondContact O-N 2.81Å; C141-G145 PolarHBondContact SG-N 2.6Å; C141-G145 VanDerWaalsContact SG-N 3.38Å; C141-S146 WeakPolarHBondContact CB-O 3.45Å; C141-C197 HydrophobicContact CB-CB 3.89Å
142D89.1Confident87.2Confident117 Ų11758.6 Ų58.663%0.62631%0.306SS*.THydrogen-bonded Turntrans4740.3-178.3-58.7-37000113.5C138 K144C138-D142 WeakPolarHBondContact O-CA 3.37Å; C138-D142 PolarHBondContact O-N 2.82Å; D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 2.88Å
143G87.3Confident87Confident5 Ų564.7 Ų64.75%0.05233%0.332CS..THydrogen-bonded Turntrans76.89.7178.800000115.3V137 C141 K204V137-G143 VanDerWaalsContact CG1-N 3.28Å; C141-G143 PolarHBondContact O-N 2.8Å; C141-G143 VanDerWaalsContact O-N 3.1Å; G143-K204 WeakPolarHBondContact O-CB 3.49Å; G143-K204 WeakPolarHBondContact O-CD 3.24Å; G143-K204 WeakPolarHBondContact O-CG 3.5Å
144K87.3Confident86.8Confident111 Ų11158.5 Ų58.548%0.48330%0.304SS..  trans-78.4-29.5176.2-60.4173.6-174.3175.60112.9C141 D142 S146 K204C141-K144 WeakPolarHBondContact O-CB 3.44Å; C141-K144 WeakPolarHBondContact O-CG 3.4Å; C141-K144 PolarHBondContact O-N 2.81Å; D142-K144 VanDerWaalsContact C-N 3.3Å; D142-K144 PolarHBondContact O-N 2.88Å; K144-S146 PolarHBondContact O-N 3.39Å; K144-K204 WeakPolarHBondContact O-CE 3.48Å
145G86.4Confident86.7Confident0 Ų062.9 Ų62.90%033%0.332CS..SBendtrans84.8-16.9178.700000114.6C141 C197 G202C141-G145 PolarHBondContact SG-N 2.6Å; C141-G145 VanDerWaalsContact SG-N 3.38Å; G145-C197 PolarHBondContact O-N 2.86Å; G145-G202 WeakPolarHBondContact O-CA 3.24Å
146S89.2Confident86.5Confident0 Ų066.4 Ų66.40%035%0.347CS..BIsolated β-bridgetrans-117.2160.8170.464.10000111.6C141 K144 D148 G149 I150 D195C141-S146 WeakPolarHBondContact CB-O 3.45Å; K144-S146 PolarHBondContact O-N 3.39Å; S146-D148 VanDerWaalsContact C-N 3.34Å; S146-G149 WeakPolarHBondContact OG-CA 3.41Å; S146-G149 PolarHBondContact OG-N 2.97Å; S146-I150 WeakPolarHBondContact CB-O 3.29Å; S146-I150 PolarHBondContact OG-N 2.82Å; S146-I150 PolarHBondContact OG-O 2.86Å; S146-D195 CarbonylContact C-O 3.58Å; S146-D195 WeakPolarHBondContact CA-O 3.44Å; S146-D195 VanDerWaalsContact CB-O 3.27Å; S146-D195 WeakPolarHBondContact CB-O 3.47Å
147K80.4Confident86.2Confident125 Ų12566.1 Ų66.154%0.54335%0.346SS..SBendtrans-62-42.1178.7-67.7175.4-175.1164.30111.9D195K147-D195 PolarHBondContact N-O 2.94Å
148D80.4Confident85.9Confident115 Ų11569.9 Ų69.962%0.61537%0.365SS*.SBendtrans-101.31-174.2-57.1-39.8000113.4S146 I150S146-D148 VanDerWaalsContact C-N 3.34Å; D148-I150 HydrophobicContact CB-CD1 3.83Å; D148-I150 HydrophobicContact CB-CG1 3.89Å; D148-I150 PolarHBondContact O-N 2.88Å
149G75.2Confident85.5Confident32 Ų3271.4 Ų71.433%0.3338%0.381SS..  trans73.66.2-171.900000114.6S146 A151S146-G149 WeakPolarHBondContact OG-CA 3.41Å; S146-G149 PolarHBondContact OG-N 2.97Å; G149-A151 PolarHBondContact O-N 2.82Å
150I73.6Confident85.2Confident89 Ų8970.7 Ų70.746%0.45638%0.382SS..  trans-71.9113.4174.1-56.5168.8000107.8S146 D148S146-I150 WeakPolarHBondContact CB-O 3.29Å; S146-I150 PolarHBondContact OG-N 2.82Å; S146-I150 PolarHBondContact OG-O 2.86Å; D148-I150 HydrophobicContact CB-CD1 3.83Å; D148-I150 HydrophobicContact CB-CG1 3.89Å; D148-I150 PolarHBondContact O-N 2.88Å
151A79.4Confident85Confident38 Ų3864.1 Ų64.131%0.31435%0.354SS..  trans-131.2123.5170.100000107G149 E189 I191G149-A151 PolarHBondContact O-N 2.82Å; A151-E189 HydrophobicContact CB-CB 4.22Å; A151-E189 HydrophobicContact CB-CG 4.32Å; A151-I191 HydrophobicContact CB-CG1 4.23Å
152Q84.4Confident85Confident110 Ų11067.3 Ų67.351%0.51437%0.37SS..EExtended strand (participates in β ladder)trans-92.6150.1179.6-66.1-174.1-12.100109.7C154 E189 Y190Q152-C154 PolarHBondContact O-N 3.5Å; Q152-E189 CarbonylContact O-C 3.54Å; Q152-E189 WeakPolarHBondContact O-CA 3.38Å; Q152-Y190 PolarHBondContact N-O 3.45Å; Q152-Y190 PolarHBondContact O-N 3.46Å
153K86.5Confident85Confident144 Ų14462.9 Ų62.963%0.62635%0.346SS*.EExtended strand (participates in β ladder)trans-63129.1172.6-160.5-178.1-160.6-157.30108.8T155 N158K153-T155 PolarHBondContact O-N 3.17Å; K153-T155 VanDerWaalsContact O-N 3.12Å; K153-N158 WeakPolarHBondContact CE-O 3.47Å; K153-N158 PolarHBondContact NZ-O 3.18Å
154C87.8Confident84.9Confident1 Ų166.3 Ų66.31%0.00737%0.366CS..PPolyproline II helixtrans-61.7118.9179.7178.30000110Q152 Q156 C157 N158 G159 C184 G188Q152-C154 PolarHBondContact O-N 3.5Å; C154-Q156 VanDerWaalsContact C-N 3.28Å; C154-Q156 PolarHBondContact O-N 3.45Å; C154-C157 VanDerWaalsContact CB-SG 3.57Å; C154-N158 WeakPolarHBondContact O-CA 3.17Å; C154-N158 PolarHBondContact O-N 3.18Å; C154-G159 PolarHBondContact O-N 3.26Å; C154-C184 HydrophobicContact CB-CB 3.72Å; C154-G188 WeakPolarHBondContact CB-O 3.37Å; C154-G188 PolarHBondContact N-O 2.82Å
155T89.5Confident84.6Confident112 Ų11268.6 Ų68.669%0.68737%0.371SS*.THydrogen-bonded Turntrans-69.7-25.3-177.351.90000113.1K153 N158K153-T155 PolarHBondContact O-N 3.17Å; K153-T155 VanDerWaalsContact O-N 3.12Å; T155-N158 PolarHBondContact O-OD1 3.07Å
156Q87.8Confident84.4Confident109 Ų10972.1 Ų72.151%0.50940%0.396SS..THydrogen-bonded Turntrans-82.1-22.6-175.6-74.1-69.5-17.700113.8C154 Q163 T183C154-Q156 VanDerWaalsContact C-N 3.28Å; C154-Q156 PolarHBondContact O-N 3.45Å; Q156-Q163 PolarHBondContact O-NE2 3.12Å; Q156-T183 HydrophobicContact CG-CG2 4.4Å; Q156-T183 WeakPolarHBondContact CG-OG1 3.48Å
157C88.5Confident83.9Confident13 Ų1376.1 Ų76.19%0.08841%0.414CS..THydrogen-bonded Turntrans-122.83.5172.465.40000112.8C154 G159 A160 G161 I162 C181C154-C157 VanDerWaalsContact CB-SG 3.57Å; C157-G159 PolarHBondContact O-N 3.16Å; C157-G159 VanDerWaalsContact O-N 3.14Å; C157-A160 HydrophobicContact CB-CB 4.42Å; C157-A160 WeakPolarHBondContact O-CB 3.38Å; C157-A160 PolarHBondContact O-N 2.8Å; C157-G161 PolarHBondContact SG-N 2.97Å; C157-I162 WeakPolarHBondContact CB-O 3.07Å; C157-C181 HydrophobicContact CB-CB 3.79Å
158N87.2Confident83.8Confident115 Ų11578 Ų7862%0.61542%0.419SS*.THydrogen-bonded Turntrans46.840.1-172.4-68.1-38.3000113.3K153 C154 T155 A160K153-N158 WeakPolarHBondContact CE-O 3.47Å; K153-N158 PolarHBondContact NZ-O 3.18Å; C154-N158 WeakPolarHBondContact O-CA 3.17Å; C154-N158 PolarHBondContact O-N 3.18Å; T155-N158 PolarHBondContact O-OD1 3.07Å; N158-A160 VanDerWaalsContact C-N 3.32Å
159G84.4Confident83.7Confident32 Ų3277.4 Ų77.433%0.3342%0.415SS..THydrogen-bonded Turntrans79.52.8-178.300000116.1C154 C157 G161 G188C154-G159 PolarHBondContact O-N 3.26Å; C157-G159 PolarHBondContact O-N 3.16Å; C157-G159 VanDerWaalsContact O-N 3.14Å; G159-G161 VanDerWaalsContact C-N 3.31Å; G159-G161 PolarHBondContact O-N 3.44Å; G159-G188 WeakPolarHBondContact CA-O 3.46Å
160A85.1Confident84Confident68 Ų6878.8 Ų78.856%0.56242%0.42SS*.SBendtrans-75.4-17.2179.700000113.9C157 N158 I162C157-A160 HydrophobicContact CB-CB 4.42Å; C157-A160 WeakPolarHBondContact O-CB 3.38Å; C157-A160 PolarHBondContact O-N 2.8Å; N158-A160 VanDerWaalsContact C-N 3.32Å; A160-I162 HydrophobicContact CB-CG1 4.31Å; A160-I162 PolarHBondContact O-N 3.03Å
161G85.1Confident84.2Confident4 Ų486.3 Ų86.34%0.04144%0.442CS..SBendtrans73.6-15.3-176.400000114.8C157 G159 C181 G186C157-G161 PolarHBondContact SG-N 2.97Å; G159-G161 VanDerWaalsContact C-N 3.31Å; G159-G161 PolarHBondContact O-N 3.44Å; G161-C181 VanDerWaalsContact O-CB 3.3Å; G161-C181 WeakPolarHBondContact O-CB 3.48Å; G161-C181 PolarHBondContact O-N 3.03Å; G161-G186 WeakPolarHBondContact O-CA 3.3Å
162I91.2Very high84.2Confident73 Ų7391.9 Ų91.937%0.37447%0.467SS..EExtended strand (participates in β ladder)trans-121.2151.6178.953.9166.9000111.6C157 A160 T179C157-I162 WeakPolarHBondContact CB-O 3.07Å; A160-I162 HydrophobicContact CB-CG1 4.31Å; A160-I162 PolarHBondContact O-N 3.03Å; I162-T179 CarbonylContact C-O 3.51Å; I162-T179 WeakPolarHBondContact CA-O 3.48Å
163Q88.1Confident83.8Confident25 Ų2592.4 Ų92.412%0.11747%0.471CS..EExtended strand (participates in β ladder)trans-117.1128171.2-74.5-178.5-22.800109.2Q156 T179 C181 H182Q156-Q163 PolarHBondContact O-NE2 3.12Å; Q163-T179 PolarHBondContact N-O 3.49Å; Q163-T179 PolarHBondContact O-N 3.13Å; Q163-T179 PolarHBondContact O-OG1 3.37Å; Q163-C181 HydrophobicContact CG-CB 4.01Å; Q163-H182 PolarHBondContact OE1-CE1 2.87Å; Q163-H182 PolarHBondContact OE1-ND1 2.88Å; Q163-H182 VanDerWaalsContact OE1-ND1 3.11Å
164V85.7Confident83.5Confident77 Ų7789.2 Ų89.247%0.46746%0.46SS..EExtended strand (participates in β ladder)trans-90.9110.6173.7-171.10000107.7Q176 Q178V164-Q176 HydrophobicContact CG1-CB 3.79Å; V164-Q176 HydrophobicContact CG1-CG 4.16Å; V164-Q178 HydrophobicContact CG2-CG 4.31Å
165R81.6Confident83.3Confident159 Ų15993.3 Ų93.360%0.648%0.479SS*.EExtended strand (participates in β ladder)trans-98.3111.5172-75.7-170.7177.1-170-0.2109.2T177R165-T177 PolarHBondContact N-O 2.77Å; R165-T177 PolarHBondContact O-N 2.82Å
166S80.9Confident83.2Confident73 Ų7394.5 Ų94.551%0.5148%0.477SS..EExtended strand (participates in β ladder)trans-84.6116.2172.861.40000109.7Q175S166-Q175 CarbonylContact C-O 3.59Å; S166-Q175 WeakPolarHBondContact CA-O 3.43Å
167H80.2Confident83.1Confident85 Ų8591.6 Ų91.639%0.39447%0.467SS..EExtended strand (participates in β ladder)trans-123.3142.8174.459.7-93.1000110Q175 T177H167-Q175 PolarHBondContact N-O 3.33Å; H167-Q175 PolarHBondContact NE2-OE1 3.37Å; H167-Q175 PolarHBondContact O-N 2.86Å; H167-Q175 VanDerWaalsContact O-O 3.08Å; H167-T177 PolarHBondContact CE1-OG1 3.37Å
168Y77.7Confident83.2Confident165 Ų16597.5 Ų97.565%0.64749%0.493SS*.EExtended strand (participates in β ladder)trans-81.2120.7176.8-71-85.3000109.1S170 M173 L174Y168-S170 VanDerWaalsContact C-N 3.32Å; Y168-M173 CarbonylContact C-O 3.6Å; Y168-M173 WeakPolarHBondContact CA-O 3.41Å; Y168-L174 HydrophobicContact CD1-CB 4.05Å; Y168-L174 HydrophobicContact CD1-CD1 3.85Å; Y168-L174 HydrophobicContact CD2-CD1 3.79Å; Y168-L174 HydrophobicContact CE1-CB 3.86Å; Y168-L174 HydrophobicContact CE1-CD1 3.71Å; Y168-L174 HydrophobicContact CE1-CG 4.34Å; Y168-L174 HydrophobicContact CE2-CD1 3.65Å; Y168-L174 HydrophobicContact CG-CD1 3.89Å
169I78.5Confident83.4Confident101 Ų10194.8 Ų94.852%0.51848%0.481SS..EExtended strand (participates in β ladder)trans-75.3-31.1170.4-48.7177.6000109.4M173 Q175I169-M173 PolarHBondContact N-O 3.45Å; I169-Q175 HydrophobicContact CD1-CB 3.69Å; I169-Q175 HydrophobicContact CD1-CG 4.15Å; I169-Q175 HydrophobicContact CG1-CB 3.63Å; I169-Q175 HydrophobicContact CG1-CG 4.48Å
170S80.7Confident83.7Confident62 Ų6298.1 Ų98.143%0.43449%0.494SS..EExtended strand (participates in β ladder)trans-148.6173.9178.381.70000111Y168 N172 M173Y168-S170 VanDerWaalsContact C-N 3.32Å; S170-N172 PolarHBondContact O-N 2.69Å; S170-N172 PolarHBondContact OG-N 3.2Å; S170-M173 PolarHBondContact O-N 2.73Å; S170-M173 WeakPolarHBondContact OG-CB 3.44Å; S170-M173 PolarHBondContact OG-N 2.71Å
171R78.9Confident83.9Confident247 Ų24794.9 Ų94.993%0.93247%0.467SS*.THydrogen-bonded Turntrans-53.5-22.8-178.6-140.6176.6-173.7-136.61.6114
172N79.2Confident84Confident155 Ų155100.2 Ų100.283%0.82949%0.491SS*.THydrogen-bonded Turntrans-125.53.1-178.1-69.619.5000114.5S170S170-N172 PolarHBondContact O-N 2.69Å; S170-N172 PolarHBondContact OG-N 3.2Å
173M76.1Confident83.8Confident121 Ų12198.7 Ų98.760%0.59649%0.485SS*.EExtended strand (participates in β ladder)trans-127108.9-173-156.5179.2-17900112.2Y168 I169 S170Y168-M173 CarbonylContact C-O 3.6Å; Y168-M173 WeakPolarHBondContact CA-O 3.41Å; I169-M173 PolarHBondContact N-O 3.45Å; S170-M173 PolarHBondContact O-N 2.73Å; S170-M173 WeakPolarHBondContact OG-CB 3.44Å; S170-M173 PolarHBondContact OG-N 2.71Å
174L80.5Confident83.6Confident77 Ų7797.9 Ų97.940%0.40348%0.482SS..EExtended strand (participates in β ladder)trans-89.8120.6175.9-172.170.4000110.1Y168Y168-L174 HydrophobicContact CD1-CB 4.05Å; Y168-L174 HydrophobicContact CD1-CD1 3.85Å; Y168-L174 HydrophobicContact CD2-CD1 3.79Å; Y168-L174 HydrophobicContact CE1-CB 3.86Å; Y168-L174 HydrophobicContact CE1-CD1 3.71Å; Y168-L174 HydrophobicContact CE1-CG 4.34Å; Y168-L174 HydrophobicContact CE2-CD1 3.65Å; Y168-L174 HydrophobicContact CG-CD1 3.89Å
175Q83.3Confident83.5Confident87 Ų87102.3 Ų102.341%0.40750%0.498SS..EExtended strand (participates in β ladder)trans-103.3130.8170.9-173.8176.420.800109.7S166 H167 I169S166-Q175 CarbonylContact C-O 3.59Å; S166-Q175 WeakPolarHBondContact CA-O 3.43Å; H167-Q175 PolarHBondContact N-O 3.33Å; H167-Q175 PolarHBondContact NE2-OE1 3.37Å; H167-Q175 PolarHBondContact O-N 2.86Å; H167-Q175 VanDerWaalsContact O-O 3.08Å; I169-Q175 HydrophobicContact CD1-CB 3.69Å; I169-Q175 HydrophobicContact CD1-CG 4.15Å; I169-Q175 HydrophobicContact CG1-CB 3.63Å; I169-Q175 HydrophobicContact CG1-CG 4.48Å
176Q86.6Confident83.5Confident136 Ų13696.3 Ų96.364%0.63649%0.486SS*.EExtended strand (participates in β ladder)trans-96117.3171.3-68.9-173.8-5.500109.1V164V164-Q176 HydrophobicContact CG1-CB 3.79Å; V164-Q176 HydrophobicContact CG1-CG 4.16Å
177T86.1Confident83.5Confident49 Ų4996.3 Ų96.330%0.30149%0.485SS..EExtended strand (participates in β ladder)trans-108.8124.9174-61.70000109.6R165 H167 T179R165-T177 PolarHBondContact N-O 2.77Å; R165-T177 PolarHBondContact O-N 2.82Å; H167-T177 PolarHBondContact CE1-OG1 3.37Å; T177-T179 HydrophobicContact CG2-CG2 4.29Å
178Q89.6Confident83.7Confident137 Ų13792.5 Ų92.564%0.6447%0.47SS*.EExtended strand (participates in β ladder)trans-84.1120.4175.2-59.2-174.9-3.900108.7V164V164-Q178 HydrophobicContact CG2-CG 4.31Å
179T90.9Very high84.1Confident58 Ų5888.3 Ų88.336%0.35646%0.456SS..EExtended strand (participates in β ladder)trans-117.2150.8172.256.40000109.8I162 Q163 T177 C181I162-T179 CarbonylContact C-O 3.51Å; I162-T179 WeakPolarHBondContact CA-O 3.48Å; Q163-T179 PolarHBondContact N-O 3.49Å; Q163-T179 PolarHBondContact O-N 3.13Å; Q163-T179 PolarHBondContact O-OG1 3.37Å; T177-T179 HydrophobicContact CG2-CG2 4.29Å; T179-C181 PolarHBondContact O-N 2.89Å
180V90.9Very high84.4Confident101 Ų10187.1 Ų87.161%0.61245%0.445SS*.EExtended strand (participates in β ladder)trans-62.6135.6173.4-125.50000109H182V180-H182 PolarHBondContact O-N 2.82Å; V180-H182 VanDerWaalsContact O-N 3.11Å
181C89.8Confident84.6Confident0 Ų085 Ų850%043%0.429CS..  trans-63.7116.6-179.7178.10000109.6C157 G161 Q163 T179 T183 E185C157-C181 HydrophobicContact CB-CB 3.79Å; G161-C181 VanDerWaalsContact O-CB 3.3Å; G161-C181 WeakPolarHBondContact O-CB 3.48Å; G161-C181 PolarHBondContact O-N 3.03Å; Q163-C181 HydrophobicContact CG-CB 4.01Å; T179-C181 PolarHBondContact O-N 2.89Å; C181-T183 PolarHBondContact O-N 3.41Å; C181-E185 WeakPolarHBondContact O-CA 3.48Å; C181-E185 PolarHBondContact O-N 3.3Å
182H88.6Confident84.9Confident117 Ų11776.1 Ų76.154%0.54240%0.4SS..THydrogen-bonded Turntrans-63.3-22.1-178.163.7-78.2000114Q163 V180Q163-H182 PolarHBondContact OE1-CE1 2.87Å; Q163-H182 PolarHBondContact OE1-ND1 2.88Å; Q163-H182 VanDerWaalsContact OE1-ND1 3.11Å; V180-H182 PolarHBondContact O-N 2.82Å; V180-H182 VanDerWaalsContact O-N 3.11Å
183T85.5Confident85.2Confident41 Ų4172.9 Ų72.925%0.25239%0.388SS..THydrogen-bonded Turntrans-82.6-39.5-177.4-43.80000113Q156 C181 Y190Q156-T183 HydrophobicContact CG-CG2 4.4Å; Q156-T183 WeakPolarHBondContact CG-OG1 3.48Å; C181-T183 PolarHBondContact O-N 3.41Å; T183-Y190 HydrophobicContact CG2-CD2 3.76Å; T183-Y190 HydrophobicContact CG2-CE2 3.88Å
184C84.4Confident85.6Confident8 Ų870.9 Ų70.95%0.05439%0.39CS..THydrogen-bonded Turntrans-106.4-1178.170.20000113.3C154 G186 S187 G188 E189C154-C184 HydrophobicContact CB-CB 3.72Å; C184-G186 PolarHBondContact O-N 3.37Å; C184-G186 VanDerWaalsContact O-N 3.12Å; C184-S187 WeakPolarHBondContact O-CB 3.27Å; C184-S187 PolarHBondContact O-N 3.42Å; C184-S187 PolarHBondContact O-OG 2.84Å; C184-G188 PolarHBondContact SG-N 2.86Å; C184-G188 VanDerWaalsContact SG-N 3.35Å; C184-E189 VanDerWaalsContact CB-O 3.24Å; C184-E189 WeakPolarHBondContact CB-O 3.13Å
185E82.9Confident85.9Confident169 Ų16969.4 Ų69.479%0.7938%0.382SS*.THydrogen-bonded Turntrans49.638.8-177.5-60.8177.3-179.300112.9C181 S187C181-E185 WeakPolarHBondContact O-CA 3.48Å; C181-E185 PolarHBondContact O-N 3.3Å; E185-S187 PolarHBondContact O-N 2.69Å
186G81.3Confident86.2Confident34 Ų3469.9 Ų69.935%0.35138%0.381SS..THydrogen-bonded Turntrans86.7-9.4-178.200000116.3G161 C184 G188G161-G186 WeakPolarHBondContact O-CA 3.3Å; C184-G186 PolarHBondContact O-N 3.37Å; C184-G186 VanDerWaalsContact O-N 3.12Å; G186-G188 VanDerWaalsContact C-N 3.34Å; G186-G188 PolarHBondContact O-N 3.38Å
187S82.1Confident86.3Confident72 Ų7263.5 Ų63.550%0.50335%0.351SS..SBendtrans-73.3-19.1-177.766.60000115.1C184 E185 E189C184-S187 WeakPolarHBondContact O-CB 3.27Å; C184-S187 PolarHBondContact O-N 3.42Å; C184-S187 PolarHBondContact O-OG 2.84Å; E185-S187 PolarHBondContact O-N 2.69Å; S187-E189 PolarHBondContact O-N 3.12Å; S187-E189 VanDerWaalsContact O-N 3.13Å; S187-E189 PolarHBondContact OG-N 2.66Å; S187-E189 PolarHBondContact OG-O 2.71Å
188G83.7Confident86.5Confident6 Ų665.5 Ų65.56%0.06237%0.365CS..SBendtrans73.6-9.9-174.600000114.5C154 G159 C184 G186C154-G188 WeakPolarHBondContact CB-O 3.37Å; C154-G188 PolarHBondContact N-O 2.82Å; G159-G188 WeakPolarHBondContact CA-O 3.46Å; C184-G188 PolarHBondContact SG-N 2.86Å; C184-G188 VanDerWaalsContact SG-N 3.35Å; G186-G188 VanDerWaalsContact C-N 3.34Å; G186-G188 PolarHBondContact O-N 3.38Å
189E85.8Confident86.6Confident77 Ų7762.6 Ų62.636%0.3635%0.351SS..EExtended strand (participates in β ladder)trans-113143.9179.4-70.2174.3174.700110.1A151 Q152 C184 S187 K204A151-E189 HydrophobicContact CB-CB 4.22Å; A151-E189 HydrophobicContact CB-CG 4.32Å; Q152-E189 CarbonylContact O-C 3.54Å; Q152-E189 WeakPolarHBondContact O-CA 3.38Å; C184-E189 VanDerWaalsContact CB-O 3.24Å; C184-E189 WeakPolarHBondContact CB-O 3.13Å; S187-E189 PolarHBondContact O-N 3.12Å; S187-E189 VanDerWaalsContact O-N 3.13Å; S187-E189 PolarHBondContact OG-N 2.66Å; S187-E189 PolarHBondContact OG-O 2.71Å; E189-K204 IonicContact OE2-NZ 3.19Å; E189-K204 PolarHBondContact OE2-NZ 3.04Å
190Y85.1Confident86.6Confident75 Ų7560.3 Ų60.329%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-113.2124.2173.2-176.8-103.6000109Q152 T183 N192Q152-Y190 PolarHBondContact N-O 3.45Å; Q152-Y190 PolarHBondContact O-N 3.46Å; T183-Y190 HydrophobicContact CG2-CD2 3.76Å; T183-Y190 HydrophobicContact CG2-CE2 3.88Å; Y190-N192 VanDerWaalsContact CE1-OD1 3.28Å; Y190-N192 WeakPolarHBondContact CE1-OD1 3.23Å
191I85.3Confident86.5Confident18 Ų1859.4 Ų59.49%0.09234%0.336CS..  trans-114.1118.1175.3-56.2173.3000107.1A151 D195 R196A151-I191 HydrophobicContact CB-CG1 4.23Å; I191-D195 HydrophobicContact CG2-CB 4.45Å; I191-R196 HydrophobicContact CB-CG 4.27Å; I191-R196 HydrophobicContact CG2-CB 4.48Å; I191-R196 HydrophobicContact CG2-CG 3.69Å; I191-R196 PolarHBondContact O-NE 3.2Å
192N85.1Confident86.3Confident61 Ų6160.3 Ų60.333%0.32635%0.345SS..  trans-52.8136175.6-72.3-31000109.8Y190 A194 D195 R196Y190-N192 VanDerWaalsContact CE1-OD1 3.28Å; Y190-N192 WeakPolarHBondContact CE1-OD1 3.23Å; N192-A194 PolarHBondContact O-N 3.44Å; N192-A194 VanDerWaalsContact O-N 3.08Å; N192-D195 HydrophobicContact CB-CB 4.36Å; N192-D195 WeakPolarHBondContact CB-OD2 3.37Å; N192-D195 PolarHBondContact ND2-OD2 3Å; N192-D195 PolarHBondContact O-N 2.96Å; N192-R196 PolarHBondContact O-N 3.28Å
193P85.1Confident86.2Confident87 Ų8757.8 Ų57.857%0.56535%0.345SS*.THydrogen-bonded Turntrans-51.8-35.3-178.4-29.735.6000114.9D195P193-D195 VanDerWaalsContact C-N 3.34Å
194A85.4Confident86.4Confident78 Ų7858.4 Ų58.465%0.64534%0.344SS*.THydrogen-bonded Turntrans-68.5-30.7178.400000113.7N192N192-A194 PolarHBondContact O-N 3.44Å; N192-A194 VanDerWaalsContact O-N 3.08Å
195D86.9Confident86.8Confident46 Ų4660 Ų6025%0.24635%0.352CS..THydrogen-bonded Turntrans-92.7-9-174.4-57.1-30.3000112.1S146 K147 I191 N192 P193 C197S146-D195 CarbonylContact C-O 3.58Å; S146-D195 WeakPolarHBondContact CA-O 3.44Å; S146-D195 VanDerWaalsContact CB-O 3.27Å; S146-D195 WeakPolarHBondContact CB-O 3.47Å; K147-D195 PolarHBondContact N-O 2.94Å; I191-D195 HydrophobicContact CG2-CB 4.45Å; N192-D195 HydrophobicContact CB-CB 4.36Å; N192-D195 WeakPolarHBondContact CB-OD2 3.37Å; N192-D195 PolarHBondContact ND2-OD2 3Å; N192-D195 PolarHBondContact O-N 2.96Å; P193-D195 VanDerWaalsContact C-N 3.34Å; D195-C197 PolarHBondContact O-N 3.36Å
196R88.9Confident87.4Confident98 Ų9853.4 Ų53.437%0.3732%0.321SS..BIsolated β-bridgetrans-57.9139.6177.4-70.4179.3-174.2-169-1.4110.4I191 N192I191-R196 HydrophobicContact CB-CG 4.27Å; I191-R196 HydrophobicContact CG2-CB 4.48Å; I191-R196 HydrophobicContact CG2-CG 3.69Å; I191-R196 PolarHBondContact O-NE 3.2Å; N192-R196 PolarHBondContact O-N 3.28Å
197C89.8Confident87.9Confident2 Ų260.3 Ų60.31%0.01434%0.341CS..  trans-58.8130174.4177.80000109.4C141 G145 D195 Q199 S201C141-C197 HydrophobicContact CB-CB 3.89Å; G145-C197 PolarHBondContact O-N 2.86Å; D195-C197 PolarHBondContact O-N 3.36Å; C197-Q199 PolarHBondContact O-N 2.92Å; C197-Q199 VanDerWaalsContact O-N 3.16Å; C197-S201 WeakPolarHBondContact O-CA 3.5Å; C197-S201 PolarHBondContact O-N 3.42Å
198P90.3Very high88.5Confident91 Ų9161.4 Ų61.459%0.59134%0.339SS*.THydrogen-bonded Turntrans-68.9-14.6-175.727-35.2000113.8
199Q91.1Very high89Confident75 Ų7569.2 Ų69.235%0.3537%0.366SS..THydrogen-bonded Turntrans-97.5-39.8-177.7-175.4179.8-7.500113.3K140 C197 I206K140-Q199 HydrophobicContact CD-CB 3.9Å; C197-Q199 PolarHBondContact O-N 2.92Å; C197-Q199 VanDerWaalsContact O-N 3.16Å; Q199-I206 HydrophobicContact CG-CG2 4.09Å; Q199-I206 VanDerWaalsContact NE2-CD1 3.33Å
200C90.6Very high89.3Confident10 Ų1069.3 Ų69.37%0.06837%0.365CS..THydrogen-bonded Turntrans-103.5-4.7177.375.10000113.3C138 G202 A203 K204 I205 I206C138-C200 HydrophobicContact CB-CB 3.9Å; C200-G202 PolarHBondContact O-N 3.21Å; C200-G202 VanDerWaalsContact O-N 3.11Å; C200-A203 HydrophobicContact CB-CB 4.48Å; C200-A203 WeakPolarHBondContact O-CB 3.23Å; C200-A203 PolarHBondContact O-N 3.08Å; C200-K204 PolarHBondContact SG-N 3.5Å; C200-I205 WeakPolarHBondContact CB-O 3.4Å; C200-I206 HydrophobicContact CB-CG2 3.98Å
201S89.2Confident89.7Confident82 Ų8269.3 Ų69.357%0.57337%0.373SS*.THydrogen-bonded Turntrans5235.1-179.9-57.60000114.3C197C197-S201 WeakPolarHBondContact O-CA 3.5Å; C197-S201 PolarHBondContact O-N 3.42Å
202G85.6Confident90.1Very high19 Ų1969 Ų6920%0.19637%0.372CS..THydrogen-bonded Turntrans93.6-11.9-175.900000115.6G145 C200 K204G145-G202 WeakPolarHBondContact O-CA 3.24Å; C200-G202 PolarHBondContact O-N 3.21Å; C200-G202 VanDerWaalsContact O-N 3.11Å; G202-K204 PolarHBondContact O-N 3.02Å
203A86.4Confident90.6Very high65 Ų6571.4 Ų71.454%0.53738%0.381SS..  trans-73-8.5-175.300000115.3C200 I205C200-A203 HydrophobicContact CB-CB 4.48Å; C200-A203 WeakPolarHBondContact O-CB 3.23Å; C200-A203 PolarHBondContact O-N 3.08Å; A203-I205 PolarHBondContact O-N 3.41Å
204K89.5Confident91.1Very high54 Ų5467.2 Ų67.224%0.23535%0.354CS..SBendtrans66-20.6-178.8-54.8176.8173.8-174.10115.8C138 G143 K144 E189 C200 G202 P236C138-K204 VanDerWaalsContact CB-O 3.32Å; C138-K204 WeakPolarHBondContact CB-O 3.4Å; C138-K204 PolarHBondContact N-O 3.19Å; G143-K204 WeakPolarHBondContact O-CB 3.49Å; G143-K204 WeakPolarHBondContact O-CD 3.24Å; G143-K204 WeakPolarHBondContact O-CG 3.5Å; K144-K204 WeakPolarHBondContact O-CE 3.48Å; E189-K204 IonicContact OE2-NZ 3.19Å; E189-K204 PolarHBondContact OE2-NZ 3.04Å; C200-K204 PolarHBondContact SG-N 3.5Å; G202-K204 PolarHBondContact O-N 3.02Å; K204-P236 HydrophobicContact CB-CG 3.79Å; K204-P236 HydrophobicContact CD-CG 4.42Å
205I93Very high91.5Very high42 Ų4270 Ų7022%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-122.2158.4178.855.2171000112N135 V136 C200 A203N135-I205 HydrophobicContact CB-CB 4.49Å; N135-I205 HydrophobicContact CB-CD1 4.04Å; V136-I205 CarbonylContact O-C 3.44Å; V136-I205 VanDerWaalsContact O-CA 3.32Å; V136-I205 WeakPolarHBondContact O-CA 3.28Å; C200-I205 WeakPolarHBondContact CB-O 3.4Å; A203-I205 PolarHBondContact O-N 3.41Å
206I94.2Very high91.9Very high29 Ų2968 Ų6815%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-130.6146.2173.958.9170.3000110.4N135 V136 C138 P139 Q199 C200N135-I206 WeakPolarHBondContact CA-O 3.46Å; V136-I206 HydrophobicContact CB-CG1 4.37Å; V136-I206 PolarHBondContact N-O 2.88Å; V136-I206 PolarHBondContact O-N 3.21Å; C138-I206 HydrophobicContact CB-CG2 4.2Å; P139-I206 HydrophobicContact CG-CD1 4.21Å; Q199-I206 HydrophobicContact CG-CG2 4.09Å; Q199-I206 VanDerWaalsContact NE2-CD1 3.33Å; C200-I206 HydrophobicContact CB-CG2 3.98Å
207K93.7Very high92.3Very high179 Ų17967.7 Ų67.778%0.77835%0.346SS*.EExtended strand (participates in β ladder)trans-79.8121.6171.9-69.9-177.7179.8-177.40109.5N135N135-K207 WeakPolarHBondContact OD1-CG 3.47Å
208Q93.5Very high92.5Very high96 Ų9672.6 Ų72.645%0.44937%0.367SS..EExtended strand (participates in β ladder)trans-118.6136.7175.1-170.1173.5-9.800110H133 K134 V136H133-Q208 WeakPolarHBondContact CA-O 3.39Å; K134-Q208 PolarHBondContact N-O 3.45Å; K134-Q208 PolarHBondContact O-N 2.96Å; V136-Q208 HydrophobicContact CG2-CB 3.46Å; V136-Q208 VanDerWaalsContact CG2-CB 3.46Å; V136-Q208 HydrophobicContact CG2-CG 4.42Å
209R94Very high92.7Very high170 Ų17068.4 Ų68.464%0.64234%0.34SS*.EExtended strand (participates in β ladder)trans-86.5125.3170-173.2179.3177.4-172.2-0.5108.5I132I132-R209 WeakPolarHBondContact O-CA 3.22Å
210K92.2Very high93Very high78 Ų7865 Ų6534%0.33932%0.324SS..EExtended strand (participates in β ladder)trans-123.8141.1174.1-174171.5177.51770109.4A131 I132 E231A131-K210 WeakPolarHBondContact CA-O 3.42Å; I132-K210 PolarHBondContact N-O 2.99Å; I132-K210 PolarHBondContact O-N 3.24Å; K210-E231 WeakPolarHBondContact CD-OE2 3.46Å; K210-E231 WeakPolarHBondContact CE-OE2 3.49Å; K210-E231 IonicContact NZ-OE1 3.56Å; K210-E231 PolarHBondContact NZ-OE1 2.77Å; K210-E231 IonicContact NZ-OE2 2.72Å; K210-E231 PolarHBondContact NZ-OE2 2.71Å
211V94.3Very high93.2Very high76 Ų7669 Ų6946%0.46134%0.342SS..EExtended strand (participates in β ladder)trans-100.9122.1173.3-177.60000107.5K129 L130 A131K129-V211 HydrophobicContact CB-CG1 3.74Å; K129-V211 HydrophobicContact CD-CG1 4.33Å; K129-V211 HydrophobicContact CG-CG1 4.39Å; L130-V211 WeakPolarHBondContact O-CA 3.34Å; A131-V211 HydrophobicContact CB-CG2 4.34Å
212I92.9Very high93.4Very high12 Ų1269.1 Ų69.16%0.06234%0.336CS..EExtended strand (participates in β ladder)trans-102.4130.8175.7-59.5-171.8000107.8K129 L130 I132 V214 F228 E231 V243K129-I212 WeakPolarHBondContact CA-O 3.36Å; L130-I212 PolarHBondContact N-O 2.95Å; L130-I212 PolarHBondContact O-N 3.09Å; I132-I212 HydrophobicContact CD1-CD1 3.57Å; I132-I212 HydrophobicContact CD1-CG1 4.21Å; I132-I212 HydrophobicContact CG1-CD1 4.47Å; I212-V214 HydrophobicContact CG2-CG2 4.38Å; I212-F228 HydrophobicContact CD1-CG 4.47Å; I212-F228 HydrophobicContact CG2-CD1 3.55Å; I212-F228 HydrophobicContact CG2-CD2 4.09Å; I212-F228 HydrophobicContact CG2-CE1 3.25Å; I212-F228 HydrophobicContact CG2-CE2 3.86Å; I212-F228 HydrophobicContact CG2-CG 3.95Å; I212-F228 HydrophobicContact CG2-CZ 3.43Å; I212-F228 VanDerWaalsContact CG2-CZ 3.43Å; I212-E231 HydrophobicContact CD1-CB 4.31Å; I212-E231 HydrophobicContact CD1-CG 4.39Å; I212-V243 HydrophobicContact CD1-CG1 4.5Å
213E95.2Very high93.9Very high110 Ų11069.8 Ų69.851%0.51434%0.342SS..EExtended strand (participates in β ladder)trans-90.9121.4173.4-56.9-166.9156.600108.6V127 K129V127-E213 HydrophobicContact CG1-CB 4.16Å; K129-E213 WeakPolarHBondContact CE-OE1 3.43Å; K129-E213 HydrophobicContact CG-CG 4.27Å; K129-E213 IonicContact NZ-OE1 3.45Å; K129-E213 PolarHBondContact NZ-OE1 3.46Å
214V95.5Very high94.3Very high0 Ų069.4 Ų69.40%033%0.329CS..EExtended strand (participates in β ladder)trans-108.3112.3-178.7-171.20000107.4L115 V127 R128 L130 I212 I226 F228 I245L115-V214 HydrophobicContact CD2-CB 4.09Å; L115-V214 HydrophobicContact CD2-CG1 3.97Å; L115-V214 HydrophobicContact CD2-CG2 4.25Å; V127-V214 WeakPolarHBondContact CA-O 3.47Å; R128-V214 PolarHBondContact N-O 3.27Å; R128-V214 PolarHBondContact O-N 3.48Å; L130-V214 HydrophobicContact CB-CG2 4.43Å; I212-V214 HydrophobicContact CG2-CG2 4.38Å; V214-I226 HydrophobicContact CG1-CD1 3.51Å; V214-F228 HydrophobicContact CG2-CE2 4.23Å; V214-F228 HydrophobicContact CG2-CZ 4.08Å; V214-I245 HydrophobicContact CG2-CD1 3.39Å
215E95Very high94.6Very high136 Ų13673.2 Ų73.264%0.63635%0.345SS*.EExtended strand (participates in β ladder)trans-81.4123.3174.4-172.7171.5-172.400109.8
216I95.8Very high94.8Very high3 Ų372.9 Ų72.92%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-104.2103178.4-61.6162.2000106.3V117 G125 S126 R128 V220V117-I216 HydrophobicContact CB-CD1 4.4Å; V117-I216 HydrophobicContact CG1-CD1 3.77Å; V117-I216 HydrophobicContact CG1-CG2 4.1Å; V117-I216 HydrophobicContact CG2-CD1 3.62Å; V117-I216 HydrophobicContact CG2-CG1 4.38Å; G125-I216 WeakPolarHBondContact CA-O 3.45Å; S126-I216 PolarHBondContact N-O 3.42Å; S126-I216 VanDerWaalsContact N-O 3.11Å; S126-I216 WeakPolarHBondContact O-CB 3.49Å; S126-I216 PolarHBondContact O-N 3.13Å; S126-I216 WeakPolarHBondContact OG-CD1 3.25Å; R128-I216 HydrophobicContact CB-CD1 4.16Å; R128-I216 HydrophobicContact CG-CD1 3.8Å; I216-V220 HydrophobicContact CG2-CG1 3.85Å
217E95.6Very high94.8Very high93 Ų9375.1 Ų75.144%0.43536%0.359SS..  trans-70.2148.9179.8-65.2174.9148.500111.4G219 V220 Y315E217-G219 PolarHBondContact O-N 3.47Å; E217-V220 WeakPolarHBondContact O-CB 3.39Å; E217-V220 WeakPolarHBondContact O-CG1 3.46Å; E217-V220 PolarHBondContact O-N 3.13Å; E217-Y315 HydrophobicContact CB-CE2 3.99Å; E217-Y315 WeakPolarHBondContact OE2-CE2 3.49Å; E217-Y315 PolarHBondContact OE2-OH 3.06Å
218K95.6Very high94.9Very high105 Ų10568.7 Ų68.746%0.45733%0.331SS..THydrogen-bonded Turntrans-59.5131.6175.8-66.7175.4176.8175.10110.6T124 V220 P313 P318T124-K218 WeakPolarHBondContact O-CE 3.49Å; T124-K218 WeakPolarHBondContact O-CG 3.48Å; K218-V220 PolarHBondContact O-N 3.13Å; K218-P313 HydrophobicContact CB-CG 4.24Å; K218-P318 HydrophobicContact CB-CB 4.07Å; K218-P318 HydrophobicContact CD-CB 3.93Å
219G94.5Very high94.8Very high3 Ų368.1 Ų68.13%0.03134%0.337CS..THydrogen-bonded Turntrans786.3175.800000114.2M122 E217 R257 P313M122-G219 PolarHBondContact O-N 3.26Å; E217-G219 PolarHBondContact O-N 3.47Å; G219-R257 PolarHBondContact O-NH2 2.78Å; G219-P313 WeakPolarHBondContact CA-O 3.44Å
220V95.8Very high94.7Very high3 Ų363.9 Ų63.92%0.01832%0.324CS..PPolyproline II helixtrans-52.5143.2176.1710000110.5M122 I216 E217 K218 K224 L247 R257 Y315M122-V220 HydrophobicContact CB-CG1 4.22Å; M122-V220 HydrophobicContact CE-CG1 3.78Å; M122-V220 VanDerWaalsContact CE-O 3.22Å; M122-V220 WeakPolarHBondContact CE-O 3.19Å; M122-V220 HydrophobicContact CG-CG1 4.06Å; I216-V220 HydrophobicContact CG2-CG1 3.85Å; E217-V220 WeakPolarHBondContact O-CB 3.39Å; E217-V220 WeakPolarHBondContact O-CG1 3.46Å; E217-V220 PolarHBondContact O-N 3.13Å; K218-V220 PolarHBondContact O-N 3.13Å; V220-K224 HydrophobicContact CG2-CB 3.55Å; V220-K224 HydrophobicContact CG2-CD 4.38Å; V220-K224 HydrophobicContact CG2-CG 3.59Å; V220-L247 HydrophobicContact CG1-CD1 3.92Å; V220-L247 HydrophobicContact CG2-CD1 3.83Å; V220-R257 VanDerWaalsContact O-CZ 3.23Å; V220-R257 PolarHBondContact O-NH1 2.84Å; V220-R257 PolarHBondContact O-NH2 3.21Å; V220-Y315 HydrophobicContact CB-CD2 4.18Å; V220-Y315 HydrophobicContact CB-CE2 4.19Å; V220-Y315 HydrophobicContact CG2-CD2 4.48Å; V220-Y315 HydrophobicContact CG2-CE2 4.16Å
221H94.6Very high94.7Very high94 Ų9462 Ų6244%0.43532%0.317SS..PPolyproline II helixtrans-90156179.252.8-84.4000111K224H221-K224 WeakPolarHBondContact O-CB 3.49Å; H221-K224 PolarHBondContact O-N 3.47Å
222D95.3Very high94.5Very high85 Ų8558.5 Ų58.546%0.45530%0.296SS..THydrogen-bonded Turntrans-56.6142.9170.3-178.744.8000111.5K224 E249D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 3.09Å; D222-E249 HydrophobicContact CB-CB 3.84Å; D222-E249 PolarHBondContact OD1-N 2.81Å
223G95.1Very high94.4Very high32 Ų3260.9 Ų60.933%0.3331%0.309SS..THydrogen-bonded Turntrans76.74.1-178.100000115.6K225 L247G223-K225 PolarHBondContact O-N 3.4Å; G223-L247 VanDerWaalsContact CA-O 3.24Å; G223-L247 WeakPolarHBondContact CA-O 3.45Å; G223-L247 PolarHBondContact N-O 3.43Å
224K95.4Very high94.3Very high57 Ų5758 Ų5825%0.24830%0.295CS..  trans-56.5131.4175.4175.772.8-180-159.40110.3V220 H221 D222 L247 Y315V220-K224 HydrophobicContact CG2-CB 3.55Å; V220-K224 HydrophobicContact CG2-CD 4.38Å; V220-K224 HydrophobicContact CG2-CG 3.59Å; H221-K224 WeakPolarHBondContact O-CB 3.49Å; H221-K224 PolarHBondContact O-N 3.47Å; D222-K224 VanDerWaalsContact C-N 3.28Å; D222-K224 PolarHBondContact O-N 3.09Å; K224-L247 HydrophobicContact CB-CD1 4.25Å; K224-L247 HydrophobicContact CB-CG 4.45Å; K224-L247 PolarHBondContact O-N 3.24Å; K224-Y315 PolarHBondContact NZ-OH 2.87Å
225K96.4Very high93.9Very high134 Ų13462.2 Ų62.258%0.58332%0.317SS*.EExtended strand (participates in β ladder)trans-96.1126.5176.3-55.9-175.4-179.4174.90110.6G223 I244 I245 I246G223-K225 PolarHBondContact O-N 3.4Å; K225-I244 HydrophobicContact CB-CG2 4.16Å; K225-I244 HydrophobicContact CD-CG2 4.42Å; K225-I244 HydrophobicContact CG-CG2 4.48Å; K225-I245 CarbonylContact C-O 3.57Å; K225-I245 WeakPolarHBondContact CA-O 3.34Å; K225-I246 HydrophobicContact CG-CG1 4.25Å
226I95.3Very high93.5Very high36 Ų3658.2 Ų58.219%0.18530%0.303CS..EExtended strand (participates in β ladder)trans-112.8120173.3-56.6174.7000107.1V214 F228 I245 L247V214-I226 HydrophobicContact CG1-CD1 3.51Å; I226-F228 HydrophobicContact CB-CE2 4.34Å; I226-F228 HydrophobicContact CG2-CD2 4.35Å; I226-F228 HydrophobicContact CG2-CE2 3.56Å; I226-F228 HydrophobicContact CG2-CZ 3.87Å; I226-I245 HydrophobicContact CB-CB 4.49Å; I226-I245 PolarHBondContact N-O 3.12Å; I226-I245 PolarHBondContact O-N 3.1Å; I226-L247 HydrophobicContact CD1-CD1 4.14Å; I226-L247 HydrophobicContact CD1-CD2 4.04Å; I226-L247 HydrophobicContact CD1-CG 4.17Å
227V95.7Very high93Very high76 Ų7662.3 Ų62.346%0.46135%0.346SS..EExtended strand (participates in β ladder)trans-105.1123.9-173.6-176.20000109.9D242 I244V227-D242 HydrophobicContact CG1-CB 3.89Å; V227-I244 HydrophobicContact CG2-CG1 4.39Å; V227-I244 HydrophobicContact CG2-CG2 4.49Å
228F94.5Very high92.6Very high44 Ų4459.5 Ų59.519%0.19334%0.335CS..EExtended strand (participates in β ladder)trans-104.5102.4171.3-64.9-90000108.6I212 V214 I226 E231 D242 V243 I245I212-F228 HydrophobicContact CD1-CG 4.47Å; I212-F228 HydrophobicContact CG2-CD1 3.55Å; I212-F228 HydrophobicContact CG2-CD2 4.09Å; I212-F228 HydrophobicContact CG2-CE1 3.25Å; I212-F228 HydrophobicContact CG2-CE2 3.86Å; I212-F228 HydrophobicContact CG2-CG 3.95Å; I212-F228 HydrophobicContact CG2-CZ 3.43Å; I212-F228 VanDerWaalsContact CG2-CZ 3.43Å; V214-F228 HydrophobicContact CG2-CE2 4.23Å; V214-F228 HydrophobicContact CG2-CZ 4.08Å; I226-F228 HydrophobicContact CB-CE2 4.34Å; I226-F228 HydrophobicContact CG2-CD2 4.35Å; I226-F228 HydrophobicContact CG2-CE2 3.56Å; I226-F228 HydrophobicContact CG2-CZ 3.87Å; F228-E231 HydrophobicContact CB-CB 4.04Å; F228-E231 HydrophobicContact CB-CG 3.83Å; F228-D242 WeakPolarHBondContact O-CA 3.36Å; F228-V243 HydrophobicContact CB-CB 4.25Å; F228-V243 PolarHBondContact N-O 3.03Å; F228-V243 PolarHBondContact O-N 2.61Å; F228-I245 HydrophobicContact CD2-CD1 3.91Å; F228-I245 HydrophobicContact CD2-CG1 4.08Å; F228-I245 HydrophobicContact CE2-CB 4.46Å; F228-I245 HydrophobicContact CE2-CD1 3.48Å; F228-I245 VanDerWaalsContact CE2-CD1 3.48Å; F228-I245 HydrophobicContact CE2-CG1 3.96Å; F228-I245 HydrophobicContact CZ-CD1 4.39Å
229S93.1Very high92.4Very high83 Ų8360.2 Ų60.258%0.5834%0.335SS*.THydrogen-bonded Turntrans-64.2137.2-174.9-60.50000112.2E231 D242S229-E231 PolarHBondContact O-N 2.7Å; S229-D242 VanDerWaalsContact CA-OD1 3.23Å; S229-D242 WeakPolarHBondContact CA-OD1 3.3Å
230E90.9Very high92.2Very high81 Ų8160.9 Ų60.938%0.37934%0.339SS..THydrogen-bonded Turntrans59.516.7175.4-63.1-174.1-177.600115.4R239 P240 G241 D242E230-R239 IonicContact OE1-CZ 3.85Å; E230-R239 IonicContact OE1-NE 3.81Å; E230-R239 PolarHBondContact OE1-NE 3.16Å; E230-R239 IonicContact OE1-NH2 3.72Å; E230-R239 PolarHBondContact OE1-NH2 2.99Å; E230-P240 HydrophobicContact CB-CG 3.75Å; E230-P240 HydrophobicContact CG-CG 4.11Å; E230-G241 CarbonylContact C-O 3.56Å; E230-G241 VanDerWaalsContact CA-O 3.28Å; E230-G241 WeakPolarHBondContact CA-O 3.48Å; E230-D242 PolarHBondContact N-OD1 3.45Å
231E92Very high92.1Very high40 Ų4060.8 Ų60.819%0.18734%0.338CS..  trans-88.2-1.7178-71.2-60.9164.900114.1K134 K210 I212 F228 S229 G241 V243K134-E231 VanDerWaalsContact CD-O 3.25Å; K134-E231 WeakPolarHBondContact CD-O 3.27Å; K134-E231 IonicContact NZ-OE2 2.87Å; K134-E231 PolarHBondContact NZ-OE2 2.97Å; K210-E231 WeakPolarHBondContact CD-OE2 3.46Å; K210-E231 WeakPolarHBondContact CE-OE2 3.49Å; K210-E231 IonicContact NZ-OE1 3.56Å; K210-E231 PolarHBondContact NZ-OE1 2.77Å; K210-E231 IonicContact NZ-OE2 2.72Å; K210-E231 PolarHBondContact NZ-OE2 2.71Å; I212-E231 HydrophobicContact CD1-CB 4.31Å; I212-E231 HydrophobicContact CD1-CG 4.39Å; F228-E231 HydrophobicContact CB-CB 4.04Å; F228-E231 HydrophobicContact CB-CG 3.83Å; S229-E231 PolarHBondContact O-N 2.7Å; E231-G241 PolarHBondContact N-O 2.91Å; E231-V243 HydrophobicContact CB-CB 4.04Å; E231-V243 HydrophobicContact CB-CG2 3.79Å; E231-V243 WeakPolarHBondContact O-CG2 3.24Å
232G90.1Very high92.1Very high1 Ų157.3 Ų57.31%0.0132%0.323CS..SBendtrans-71.4-173.3177.400000114.1Q234 G241G232-Q234 PolarHBondContact O-N 3.41Å; G232-G241 WeakPolarHBondContact CA-O 3.41Å; G232-G241 PolarHBondContact N-O 3.3Å
233D91.9Very high92.1Very high63 Ų6353.4 Ų53.434%0.33730%0.302SS..  trans-64.9129.1177.5-83-16.5000111.5K134 N135K134-D233 WeakPolarHBondContact CA-OD1 3.38Å; N135-D233 HydrophobicContact CB-CB 4.22Å; N135-D233 PolarHBondContact N-OD1 2.87Å; N135-D233 PolarHBondContact ND2-OD1 3.3Å; N135-D233 PolarHBondContact ND2-OD2 3.47Å; N135-D233 VanDerWaalsContact ND2-OD2 3.09Å
234Q91.6Very high92.1Very high49 Ų4953.4 Ų53.423%0.22929%0.294CS..  trans-89.3142175.2-58.9-177.9-500111.1N135 V137 G232 P240N135-Q234 WeakPolarHBondContact O-CB 3.22Å; N135-Q234 PolarHBondContact O-N 3.47Å; V137-Q234 HydrophobicContact CG2-CB 4.02Å; V137-Q234 VanDerWaalsContact N-OE1 3.1Å; G232-Q234 PolarHBondContact O-N 3.41Å; Q234-P240 HydrophobicContact CG-CB 4.07Å; Q234-P240 HydrophobicContact CG-CG 4.39Å
235L88.5Confident92.1Very high88 Ų8850.7 Ų50.746%0.46128%0.283SS..BIsolated β-bridgetrans-130.2145.1170.7-70.3167.9000108.7G237 V238L235-G237 PolarHBondContact O-N 2.86Å; L235-V238 HydrophobicContact CB-CB 3.94Å; L235-V238 HydrophobicContact CB-CG1 4.5Å; L235-V238 HydrophobicContact CB-CG2 4.09Å; L235-V238 PolarHBondContact O-N 3.49Å; L235-V238 VanDerWaalsContact O-N 3.14Å
236P87Confident92.1Very high53 Ų5346 Ų4634%0.34426%0.263SS..THydrogen-bonded Turntrans-56125.1177.7-23.432.4000111.7K204 V238K204-P236 HydrophobicContact CB-CG 3.79Å; K204-P236 HydrophobicContact CD-CG 4.42Å; P236-V238 VanDerWaalsContact C-N 3.3Å; P236-V238 PolarHBondContact O-N 2.78Å
237G83.6Confident92.2Very high88 Ų8844.3 Ų44.391%0.90726%0.255SS*.THydrogen-bonded Turntrans74.112.4178.200000115.7L235L235-G237 PolarHBondContact O-N 2.86Å
238V88Confident92.2Very high35 Ų3543.8 Ų43.821%0.21225%0.249CC..BIsolated β-bridgetrans-125.4131.6-179.9178.60000107.8R106 L235 P236R106-V238 HydrophobicContact CB-CG1 4.13Å; R106-V238 HydrophobicContact CB-CG2 4.15Å; R106-V238 CarbonylContact O-C 3.49Å; R106-V238 WeakPolarHBondContact O-CA 3.38Å; R106-V238 WeakPolarHBondContact O-CG1 3.39Å; L235-V238 HydrophobicContact CB-CB 3.94Å; L235-V238 HydrophobicContact CB-CG1 4.5Å; L235-V238 HydrophobicContact CB-CG2 4.09Å; L235-V238 PolarHBondContact O-N 3.49Å; L235-V238 VanDerWaalsContact O-N 3.14Å; P236-V238 VanDerWaalsContact C-N 3.3Å; P236-V238 PolarHBondContact O-N 2.78Å
239R90.3Very high92.3Very high119 Ų11943.6 Ų43.645%0.44925%0.249SC..BIsolated β-bridgetrans-67.9130.2175.5-174.3177.6179.6-164.1-1.2108.7R106 R107 G108 E230R106-R239 PolarHBondContact O-N 2.95Å; R107-R239 CarbonylContact C-O 3.55Å; R107-R239 VanDerWaalsContact CA-O 3.3Å; R107-R239 WeakPolarHBondContact CA-O 3.49Å; G108-R239 PolarHBondContact N-O 2.85Å; E230-R239 IonicContact OE1-CZ 3.85Å; E230-R239 IonicContact OE1-NE 3.81Å; E230-R239 PolarHBondContact OE1-NE 3.16Å; E230-R239 IonicContact OE1-NH2 3.72Å; E230-R239 PolarHBondContact OE1-NH2 2.99Å
240P92.1Very high92.5Very high18 Ų1844.7 Ų44.712%0.11725%0.245CC..  trans-60.9152.1179.424.6-33.6000112.1E230 Q234E230-P240 HydrophobicContact CB-CG 3.75Å; E230-P240 HydrophobicContact CG-CG 4.11Å; Q234-P240 HydrophobicContact CG-CB 4.07Å; Q234-P240 HydrophobicContact CG-CG 4.39Å
241G92.7Very high92.7Very high0 Ų049.2 Ų49.20%027%0.266CS..  trans-75.5-179.2168.300000111.8G108 D110 E230 E231 G232G108-G241 WeakPolarHBondContact O-CA 3.23Å; D110-G241 WeakPolarHBondContact OD1-CA 3.1Å; E230-G241 CarbonylContact C-O 3.56Å; E230-G241 VanDerWaalsContact CA-O 3.28Å; E230-G241 WeakPolarHBondContact CA-O 3.48Å; E231-G241 PolarHBondContact N-O 2.91Å; G232-G241 WeakPolarHBondContact CA-O 3.41Å; G232-G241 PolarHBondContact N-O 3.3Å
242D94.7Very high92.8Very high22 Ų2250.2 Ų50.212%0.11827%0.271CS..  trans-96.3155.1177.8-60.5-21.1000110.9R107 D110 V111 V227 F228 S229 E230R107-D242 IonicContact CZ-OD2 2.77Å; R107-D242 IonicContact NH1-OD2 2.84Å; R107-D242 IonicContact NH2-OD1 3.37Å; R107-D242 PolarHBondContact NH2-OD1 2.93Å; R107-D242 IonicContact NH2-OD2 3.53Å; R107-D242 PolarHBondContact NH2-OD2 3.06Å; D110-D242 CarbonylContact C-O 3.51Å; D110-D242 VanDerWaalsContact CA-O 3.24Å; D110-D242 WeakPolarHBondContact CA-O 3.28Å; D110-D242 WeakPolarHBondContact CB-O 2.94Å; D110-D242 PolarHBondContact OD1-N 2.63Å; V111-D242 PolarHBondContact N-O 3.27Å; V227-D242 HydrophobicContact CG1-CB 3.89Å; F228-D242 WeakPolarHBondContact O-CA 3.36Å; S229-D242 VanDerWaalsContact CA-OD1 3.23Å; S229-D242 WeakPolarHBondContact CA-OD1 3.3Å; E230-D242 PolarHBondContact N-OD1 3.45Å
243V94.4Very high93Very high3 Ų356 Ų562%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-97.4119.3165.6169.80000108.3V111 I132 I212 F228 E231 I245V111-V243 HydrophobicContact CB-CG2 4.39Å; V111-V243 CarbonylContact O-C 3.56Å; V111-V243 WeakPolarHBondContact O-CA 3.48Å; I132-V243 HydrophobicContact CD1-CG1 3.79Å; I212-V243 HydrophobicContact CD1-CG1 4.5Å; F228-V243 HydrophobicContact CB-CB 4.25Å; F228-V243 PolarHBondContact N-O 3.03Å; F228-V243 PolarHBondContact O-N 2.61Å; E231-V243 HydrophobicContact CB-CB 4.04Å; E231-V243 HydrophobicContact CB-CG2 3.79Å; E231-V243 WeakPolarHBondContact O-CG2 3.24Å; V243-I245 HydrophobicContact CG1-CG1 4.07Å
244I96Very high93.1Very high32 Ų3258 Ų5816%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-106.4113.4179.5-54.1174.5000107.9D110 V111 I112 H113 K225 V227 I246D110-I244 HydrophobicContact CB-CD1 4.21Å; V111-I244 PolarHBondContact O-N 3.29Å; I112-I244 CarbonylContact C-O 3.56Å; I112-I244 WeakPolarHBondContact CA-O 3.48Å; I112-I244 HydrophobicContact CG1-CB 4.44Å; H113-I244 PolarHBondContact N-O 3.08Å; K225-I244 HydrophobicContact CB-CG2 4.16Å; K225-I244 HydrophobicContact CD-CG2 4.42Å; K225-I244 HydrophobicContact CG-CG2 4.48Å; V227-I244 HydrophobicContact CG2-CG1 4.39Å; V227-I244 HydrophobicContact CG2-CG2 4.49Å; I244-I246 HydrophobicContact CG2-CG1 4.39Å
245I95.9Very high93.4Very high0 Ų056.2 Ų56.20%031%0.309CS..EExtended strand (participates in β ladder)trans-96.3120175.2-57.1-174.1000108.3H113 L115 L130 V214 K225 I226 F228 V243 L247H113-I245 HydrophobicContact CB-CG1 4.46Å; H113-I245 CarbonylContact O-C 3.5Å; H113-I245 VanDerWaalsContact O-CA 3.3Å; H113-I245 WeakPolarHBondContact O-CA 3.48Å; L115-I245 HydrophobicContact CB-CG2 3.62Å; L115-I245 HydrophobicContact CD2-CG2 4.2Å; L130-I245 HydrophobicContact CD2-CD1 3.67Å; L130-I245 HydrophobicContact CD2-CG1 4.34Å; V214-I245 HydrophobicContact CG2-CD1 3.39Å; K225-I245 CarbonylContact C-O 3.57Å; K225-I245 WeakPolarHBondContact CA-O 3.34Å; I226-I245 HydrophobicContact CB-CB 4.49Å; I226-I245 PolarHBondContact N-O 3.12Å; I226-I245 PolarHBondContact O-N 3.1Å; F228-I245 HydrophobicContact CD2-CD1 3.91Å; F228-I245 HydrophobicContact CD2-CG1 4.08Å; F228-I245 HydrophobicContact CE2-CB 4.46Å; F228-I245 HydrophobicContact CE2-CD1 3.48Å; F228-I245 VanDerWaalsContact CE2-CD1 3.48Å; F228-I245 HydrophobicContact CE2-CG1 3.96Å; F228-I245 HydrophobicContact CZ-CD1 4.39Å; V243-I245 HydrophobicContact CG1-CG1 4.07Å; I245-L247 HydrophobicContact CG2-CD2 4.46Å
246I96.6Very high93.7Very high34 Ų3457.9 Ų57.917%0.17431%0.314CS..EExtended strand (participates in β ladder)trans-99.3121174.7-51.9-174.8000107.1I112 H113 Q114 L115 K225 I244I112-I246 HydrophobicContact CG2-CD1 3.58Å; I112-I246 HydrophobicContact CG2-CG1 3.94Å; H113-I246 PolarHBondContact O-N 2.92Å; Q114-I246 WeakPolarHBondContact CA-O 3.42Å; L115-I246 PolarHBondContact N-O 3.38Å; K225-I246 HydrophobicContact CG-CG1 4.25Å; I244-I246 HydrophobicContact CG2-CG1 4.39Å
247L96.5Very high94.1Very high1 Ų156.8 Ų56.81%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-72.9133.3173.4-57.9-171.8000109.4L115 V117 V220 G223 K224 I226 I245L115-L247 HydrophobicContact CB-CD2 4.32Å; L115-L247 HydrophobicContact CD2-CD2 4.01Å; V117-L247 HydrophobicContact CG2-CD2 3.96Å; V220-L247 HydrophobicContact CG1-CD1 3.92Å; V220-L247 HydrophobicContact CG2-CD1 3.83Å; G223-L247 VanDerWaalsContact CA-O 3.24Å; G223-L247 WeakPolarHBondContact CA-O 3.45Å; G223-L247 PolarHBondContact N-O 3.43Å; K224-L247 HydrophobicContact CB-CD1 4.25Å; K224-L247 HydrophobicContact CB-CG 4.45Å; K224-L247 PolarHBondContact O-N 3.24Å; I226-L247 HydrophobicContact CD1-CD1 4.14Å; I226-L247 HydrophobicContact CD1-CD2 4.04Å; I226-L247 HydrophobicContact CD1-CG 4.17Å; I245-L247 HydrophobicContact CG2-CD2 4.46Å
248D96.7Very high94.7Very high65 Ų6559.5 Ų59.535%0.34829%0.29SS..EExtended strand (participates in β ladder)trans-121.8112.3179.4178.542.2000108.2L115 T116 V117 Q250L115-D248 PolarHBondContact O-N 3.35Å; T116-D248 CarbonylContact C-O 3.45Å; T116-D248 VanDerWaalsContact CA-O 3.29Å; T116-D248 WeakPolarHBondContact CA-O 3.49Å; V117-D248 PolarHBondContact N-O 2.91Å; D248-Q250 PolarHBondContact O-N 3.34Å
249E96.6Very high94.9Very high40 Ų4060.5 Ų60.519%0.18731%0.307CS..EExtended strand (participates in β ladder)trans-71.9117.8-176.8-178172.5142.800111L119 M122 D222 E251 R257L119-E249 WeakPolarHBondContact CD1-OE1 3.3Å; M122-E249 HydrophobicContact CE-CB 4.22Å; M122-E249 HydrophobicContact CE-CG 4.45Å; M122-E249 HydrophobicContact SD-CB 3.82Å; M122-E249 HydrophobicContact SD-CG 3.6Å; D222-E249 HydrophobicContact CB-CB 3.84Å; D222-E249 PolarHBondContact OD1-N 2.81Å; E249-E251 PolarHBondContact O-N 2.93Å; E249-R257 WeakPolarHBondContact OE1-CB 3.33Å; E249-R257 WeakPolarHBondContact OE1-CD 3.32Å; E249-R257 WeakPolarHBondContact OE2-CD 3.04Å; E249-R257 IonicContact OE2-CZ 2.79Å; E249-R257 IonicContact OE2-NE 3.71Å; E249-R257 IonicContact OE2-NH1 2.74Å; E249-R257 PolarHBondContact OE2-NH1 2.91Å
250Q95.9Very high95.1Very high107 Ų10756.8 Ų56.850%0.530%0.298SS..EExtended strand (participates in β ladder)trans-73128.4174.2-170.4-179.12.200110.6T116 V117 D248 H252T116-Q250 HydrophobicContact CG2-CB 3.85Å; T116-Q250 HydrophobicContact CG2-CG 4.28Å; V117-Q250 WeakPolarHBondContact O-CB 3.39Å; V117-Q250 PolarHBondContact O-N 3.33Å; D248-Q250 PolarHBondContact O-N 3.34Å; Q250-H252 PolarHBondContact O-N 3.38Å
251E95Very high95.4Very high176 Ų17659 Ų5982%0.82231%0.306SS*.PPolyproline II helixtrans-55.6127.2172.5-66.4-174.1170.900111.3E249E249-E251 PolarHBondContact O-N 2.93Å
252H95.2Very high95.6Very high61 Ų6159.1 Ų59.128%0.28231%0.307SS..PPolyproline II helixtrans-95.5137.9178-174.6-86.2000110.3L119 Q250 I254 F255L119-H252 HydrophobicContact CB-CB 4.13Å; L119-H252 HydrophobicContact CD2-CB 3.96Å; Q250-H252 PolarHBondContact O-N 3.38Å; H252-I254 VanDerWaalsContact C-N 3.25Å; H252-I254 PolarHBondContact ND1-N 3.42Å; H252-I254 PolarHBondContact O-N 3.07Å; H252-F255 HydrophobicContact CB-CB 4.46Å; H252-F255 WeakPolarHBondContact CB-O 3.29Å; H252-F255 AromaticContact CE1-CD2 3.47Å; H252-F255 VanDerWaalsContact CE1-CD2 3.47Å; H252-F255 WeakPolarHBondContact CE1-CD2 3.31Å; H252-F255 AromaticContact ND1-CD2 3.52Å; H252-F255 PolarHBondContact ND1-N 3.36Å
253P94.4Very high95.7Very high123 Ų12360.7 Ų60.780%0.79931%0.313SS*.SBendtrans-64.7-26.9-172.423.4-35.3000114.3
254I94.1Very high95.8Very high103 Ų10360.8 Ų60.853%0.52831%0.314SS..SBendtrans-110-34.5-174.5-58.2169.2000111.7H252 V264H252-I254 VanDerWaalsContact C-N 3.25Å; H252-I254 PolarHBondContact ND1-N 3.42Å; H252-I254 PolarHBondContact O-N 3.07Å; I254-V264 HydrophobicContact CG2-CG2 3.6Å; I254-V264 WeakPolarHBondContact O-CG2 3.44Å
255F96.4Very high95.8Very high13 Ų1365.7 Ų65.76%0.05733%0.334CS..EExtended strand (participates in β ladder)trans-114.5132.9-169.2-69.6-69.5000108.3L119 H252 F263 V264 L281 E282 L284 L324L119-F255 HydrophobicContact CD2-CB 3.73Å; H252-F255 HydrophobicContact CB-CB 4.46Å; H252-F255 WeakPolarHBondContact CB-O 3.29Å; H252-F255 AromaticContact CE1-CD2 3.47Å; H252-F255 VanDerWaalsContact CE1-CD2 3.47Å; H252-F255 WeakPolarHBondContact CE1-CD2 3.31Å; H252-F255 AromaticContact ND1-CD2 3.52Å; H252-F255 PolarHBondContact ND1-N 3.36Å; F255-F263 CarbonylContact C-O 3.56Å; F255-F263 WeakPolarHBondContact CA-O 3.47Å; F255-V264 HydrophobicContact CD1-CB 4.05Å; F255-V264 HydrophobicContact CD1-CG2 4.47Å; F255-V264 HydrophobicContact CE1-CB 4.15Å; F255-V264 HydrophobicContact CE1-CG2 4.37Å; F255-L281 HydrophobicContact CE1-CD2 4Å; F255-L281 HydrophobicContact CZ-CD2 3.76Å; F255-L281 HydrophobicContact CZ-CG 4.44Å; F255-E282 WeakPolarHBondContact CE2-O 3.42Å; F255-E282 VanDerWaalsContact CZ-O 3.24Å; F255-E282 WeakPolarHBondContact CZ-O 3.3Å; F255-L284 HydrophobicContact CD2-CD2 3.71Å; F255-L284 HydrophobicContact CD2-CG 4.07Å; F255-L284 HydrophobicContact CE2-CD2 4.16Å; F255-L284 HydrophobicContact CE2-CG 4.28Å; F255-L324 HydrophobicContact CD1-CD1 4.18Å; F255-L324 HydrophobicContact CE1-CD1 3.93Å
256H96Very high95.8Very high123 Ų12366.4 Ų66.457%0.56934%0.338SS*.EExtended strand (participates in β ladder)trans-118.4122174.8-175.270.6000108.8F263H256-F263 HydrophobicContact CB-CB 4.26Å; H256-F263 PolarHBondContact N-O 3.06Å; H256-F263 WeakPolarHBondContact O-CB 3.48Å; H256-F263 PolarHBondContact O-N 3.09Å
257R96Very high95.8Very high30 Ų3066.7 Ų66.711%0.11335%0.346CS..EExtended strand (participates in β ladder)trans-86.4135.7-178.5-172.6-169.5179.1170.44.9110.5L119 M122 G219 V220 E249 G259 L262 M312L119-R257 HydrophobicContact CD1-CB 3.92Å; L119-R257 HydrophobicContact CD1-CG 4.27Å; M122-R257 VanDerWaalsContact CE-NH1 3.27Å; G219-R257 PolarHBondContact O-NH2 2.78Å; V220-R257 VanDerWaalsContact O-CZ 3.23Å; V220-R257 PolarHBondContact O-NH1 2.84Å; V220-R257 PolarHBondContact O-NH2 3.21Å; E249-R257 WeakPolarHBondContact OE1-CB 3.33Å; E249-R257 WeakPolarHBondContact OE1-CD 3.32Å; E249-R257 WeakPolarHBondContact OE2-CD 3.04Å; E249-R257 IonicContact OE2-CZ 2.79Å; E249-R257 IonicContact OE2-NE 3.71Å; E249-R257 IonicContact OE2-NH1 2.74Å; E249-R257 PolarHBondContact OE2-NH1 2.91Å; R257-G259 PolarHBondContact NE-O 2.94Å; R257-L262 HydrophobicContact CB-CD2 4.2Å; R257-L262 HydrophobicContact CG-CD2 4.37Å; R257-M312 HydrophobicContact CG-CG 3.9Å
258K95.2Very high95.7Very high144 Ų14466.7 Ų66.763%0.62635%0.345SS*.EExtended strand (participates in β ladder)trans-135.499.1167-169.9177.3-179.2177.30109.5V260 H261 F263K258-V260 PolarHBondContact O-N 3.15Å; K258-H261 PolarHBondContact N-O 3.4Å; K258-H261 PolarHBondContact O-N 3.21Å; K258-H261 VanDerWaalsContact O-N 3.11Å; K258-F263 HydrophobicContact CB-CD2 3.99Å; K258-F263 HydrophobicContact CB-CE2 3.68Å; K258-F263 HydrophobicContact CD-CE2 4.15Å; K258-F263 HydrophobicContact CD-CZ 4.44Å; K258-F263 HydrophobicContact CG-CE2 4.49Å
259G93.4Very high95.7Very high56 Ų5667.5 Ų67.558%0.57735%0.348SS*.THydrogen-bonded Turntrans64.6-117.1-173.100000111.2R257R257-G259 PolarHBondContact NE-O 2.94Å
260V94.6Very high95.5Very high41 Ų4168.3 Ų68.325%0.24835%0.354CS..THydrogen-bonded Turntrans-93.4-9.4177-62.40000113.1K258 M312 F314 G322K258-V260 PolarHBondContact O-N 3.15Å; V260-M312 PolarHBondContact O-N 3.45Å; V260-F314 HydrophobicContact CB-CE1 4.34Å; V260-F314 HydrophobicContact CB-CZ 4.34Å; V260-F314 HydrophobicContact CG1-CD1 3.85Å; V260-F314 HydrophobicContact CG1-CE1 3.73Å; V260-F314 HydrophobicContact CG1-CG 4.43Å; V260-F314 HydrophobicContact CG1-CZ 4.21Å; V260-F314 HydrophobicContact CG2-CE1 4.25Å; V260-F314 HydrophobicContact CG2-CZ 4.08Å; V260-G322 WeakPolarHBondContact O-CA 3.36Å
261H96.7Very high95.3Very high64 Ų6466.8 Ų66.830%0.29636%0.355SS..EExtended strand (participates in β ladder)trans-93.1146.6-179.3-59.9-67.8000111.3K258 F263 N323 I325K258-H261 PolarHBondContact N-O 3.4Å; K258-H261 PolarHBondContact O-N 3.21Å; K258-H261 VanDerWaalsContact O-N 3.11Å; H261-F263 HydrophobicContact CB-CE2 4Å; H261-N323 VanDerWaalsContact CA-O 3.31Å; H261-N323 WeakPolarHBondContact CA-O 3.49Å; H261-N323 PolarHBondContact ND1-N 3.41Å; H261-N323 VanDerWaalsContact ND1-N 3.13Å; H261-I325 HydrophobicContact CB-CD1 4.05Å
262L97Very high95.3Very high4 Ų460.7 Ų60.72%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-106.8137.6170.8-69.6175.6000108.9L119 Y123 R257 L284 M312 N323 L324 I325L119-L262 HydrophobicContact CD1-CD2 4.41Å; L119-L262 HydrophobicContact CD2-CD2 3.95Å; Y123-L262 HydrophobicContact CD2-CD1 4.37Å; Y123-L262 HydrophobicContact CE2-CD1 4.18Å; R257-L262 HydrophobicContact CB-CD2 4.2Å; R257-L262 HydrophobicContact CG-CD2 4.37Å; L262-L284 HydrophobicContact CD1-CD1 3.74Å; L262-L284 HydrophobicContact CD2-CD1 4.36Å; L262-M312 HydrophobicContact CD1-CG 4.49Å; L262-M312 HydrophobicContact CD1-SD 4.37Å; L262-M312 HydrophobicContact CD2-CG 3.73Å; L262-M312 HydrophobicContact CD2-SD 3.89Å; L262-M312 HydrophobicContact CG-CG 3.99Å; L262-M312 HydrophobicContact CG-SD 4.38Å; L262-N323 PolarHBondContact N-O 2.92Å; L262-L324 HydrophobicContact CB-CD1 3.74Å; L262-L324 CarbonylContact O-C 3.4Å; L262-L324 WeakPolarHBondContact O-CA 3.34Å; L262-I325 PolarHBondContact O-N 2.88Å
263F97.6Very high95.3Very high55 Ų5557.9 Ų57.924%0.24131%0.313CS..EExtended strand (participates in β ladder)trans-112.6137.7175.4-72.4-101.1000109F255 H256 K258 H261 I325F255-F263 CarbonylContact C-O 3.56Å; F255-F263 WeakPolarHBondContact CA-O 3.47Å; H256-F263 HydrophobicContact CB-CB 4.26Å; H256-F263 PolarHBondContact N-O 3.06Å; H256-F263 WeakPolarHBondContact O-CB 3.48Å; H256-F263 PolarHBondContact O-N 3.09Å; K258-F263 HydrophobicContact CB-CD2 3.99Å; K258-F263 HydrophobicContact CB-CE2 3.68Å; K258-F263 HydrophobicContact CD-CE2 4.15Å; K258-F263 HydrophobicContact CD-CZ 4.44Å; K258-F263 HydrophobicContact CG-CE2 4.49Å; H261-F263 HydrophobicContact CB-CE2 4Å; F263-I325 CarbonylContact C-O 3.56Å; F263-I325 VanDerWaalsContact CA-O 3.29Å; F263-I325 WeakPolarHBondContact CA-O 3.33Å; F263-I325 HydrophobicContact CD1-CB 3.89Å; F263-I325 HydrophobicContact CD1-CD1 4.49Å; F263-I325 HydrophobicContact CD1-CG2 3.78Å; F263-I325 HydrophobicContact CE1-CB 3.86Å; F263-I325 HydrophobicContact CE1-CD1 3.72Å; F263-I325 HydrophobicContact CE1-CG1 4.4Å; F263-I325 HydrophobicContact CE1-CG2 3.6Å; F263-I325 HydrophobicContact CE2-CD1 3.84Å; F263-I325 HydrophobicContact CG-CB 4.37Å; F263-I325 HydrophobicContact CZ-CB 4.28Å; F263-I325 HydrophobicContact CZ-CD1 3.34Å; F263-I325 HydrophobicContact CZ-CG1 4.39Å; F263-I325 HydrophobicContact CZ-CG2 4.39Å
264V96.8Very high95.2Very high4 Ų455 Ų552%0.02429%0.291CS..EExtended strand (participates in β ladder)trans-139.7142.4175.460.50000109.7I254 F255 V266 L281 L324 I325 I326 E327I254-V264 HydrophobicContact CG2-CG2 3.6Å; I254-V264 WeakPolarHBondContact O-CG2 3.44Å; F255-V264 HydrophobicContact CD1-CB 4.05Å; F255-V264 HydrophobicContact CD1-CG2 4.47Å; F255-V264 HydrophobicContact CE1-CB 4.15Å; F255-V264 HydrophobicContact CE1-CG2 4.37Å; V264-V266 HydrophobicContact CG1-CG2 4.33Å; V264-V266 HydrophobicContact CG2-CG2 4.22Å; V264-L281 HydrophobicContact CB-CD1 4.5Å; V264-L281 HydrophobicContact CG1-CD1 3.91Å; V264-L281 HydrophobicContact CG2-CD1 3.97Å; V264-L324 HydrophobicContact CB-CD1 4.44Å; V264-L324 HydrophobicContact CG1-CD1 3.84Å; V264-L324 HydrophobicContact CG1-CG 4.34Å; V264-I325 PolarHBondContact N-O 3.11Å; V264-I326 HydrophobicContact CG1-CB 4.22Å; V264-I326 HydrophobicContact CG1-CG1 3.73Å; V264-I326 HydrophobicContact CG1-CG2 4.28Å; V264-I326 WeakPolarHBondContact O-CA 3.19Å; V264-E327 PolarHBondContact O-N 2.8Å
265K96.3Very high95.1Very high135 Ų13554.2 Ų54.259%0.58729%0.294SS*.EExtended strand (participates in β ladder)trans-97.8120.7172-61.7-166.9178.6-131.80109.2E327 V329K265-E327 WeakPolarHBondContact CA-O 3.34Å; K265-E327 WeakPolarHBondContact CE-OE2 3.37Å; K265-E327 HydrophobicContact CG-CB 4.27Å; K265-E327 VanDerWaalsContact NZ-CD 3.29Å; K265-E327 IonicContact NZ-OE1 3.64Å; K265-E327 PolarHBondContact NZ-OE1 2.95Å; K265-E327 IonicContact NZ-OE2 3.56Å; K265-E327 PolarHBondContact NZ-OE2 2.98Å; K265-E327 VanDerWaalsContact NZ-OE2 3.08Å; K265-V329 HydrophobicContact CB-CG2 4.47Å
266V95.6Very high94.9Very high16 Ų1654.5 Ų54.510%0.09730%0.3CS..EExtended strand (participates in β ladder)trans-113.7115.9177.5178.30000108.5V264 I268 K279 L281 I326 E327 F328 V329V264-V266 HydrophobicContact CG1-CG2 4.33Å; V264-V266 HydrophobicContact CG2-CG2 4.22Å; V266-I268 HydrophobicContact CG1-CG2 4.09Å; V266-K279 HydrophobicContact CG1-CD 4.1Å; V266-L281 HydrophobicContact CG2-CD1 4.09Å; V266-I326 HydrophobicContact CB-CG2 3.9Å; V266-I326 HydrophobicContact CG2-CG2 3.61Å; V266-E327 PolarHBondContact N-O 3.01Å; V266-F328 HydrophobicContact CB-CD1 4.42Å; V266-F328 HydrophobicContact CB-CE1 4.47Å; V266-F328 HydrophobicContact CG1-CE1 4.48Å; V266-F328 WeakPolarHBondContact O-CA 3.16Å; V266-V329 PolarHBondContact O-N 3.4Å
267A95.2Very high94.8Very high40 Ų4048.8 Ų48.833%0.33127%0.274SS..EExtended strand (participates in β ladder)trans-75.3129.1172.200000109.7K279 V329 Q331A267-K279 PolarHBondContact O-NZ 2.87Å; A267-V329 VanDerWaalsContact CA-O 3.3Å; A267-V329 WeakPolarHBondContact CA-O 2.92Å; A267-Q331 HydrophobicContact CB-CG 4.35Å
268I95.5Very high94.7Very high0 Ų054.5 Ų54.50%030%0.302CS..EExtended strand (participates in β ladder)trans-127150.517558.9171000110.5V266 E272 A273 M277 K279 I299 F328 V329 V330 Q331V266-I268 HydrophobicContact CG1-CG2 4.09Å; I268-E272 VanDerWaalsContact CA-OE2 3.24Å; I268-E272 WeakPolarHBondContact CA-OE2 3.36Å; I268-E272 HydrophobicContact CB-CB 4.23Å; I268-E272 WeakPolarHBondContact CB-OE2 3.43Å; I268-A273 HydrophobicContact CD1-CB 3.75Å; I268-A273 HydrophobicContact CG1-CB 4.42Å; I268-M277 HydrophobicContact CG2-SD 3.93Å; I268-K279 HydrophobicContact CG2-CD 4.3Å; I268-I299 HydrophobicContact CD1-CB 4Å; I268-I299 HydrophobicContact CD1-CD1 3.87Å; I268-I299 HydrophobicContact CD1-CG2 3.83Å; I268-F328 HydrophobicContact CD1-CB 4.1Å; I268-F328 HydrophobicContact CD1-CD1 3.73Å; I268-F328 HydrophobicContact CD1-CG 4.17Å; I268-F328 HydrophobicContact CG1-CB 4.43Å; I268-F328 HydrophobicContact CG1-CD1 4.16Å; I268-F328 HydrophobicContact CG2-CD1 3.84Å; I268-F328 HydrophobicContact CG2-CE1 4.18Å; I268-V329 PolarHBondContact N-O 3.03Å; I268-V330 HydrophobicContact CD1-CG2 4.12Å; I268-V330 HydrophobicContact CG1-CG2 4.04Å; I268-V330 CarbonylContact O-C 3.58Å; I268-V330 WeakPolarHBondContact O-CA 3.09Å; I268-Q331 PolarHBondContact O-N 3.47Å
269M95.5Very high94.6Very high82 Ų8250.1 Ų50.140%0.40428%0.283SS..EExtended strand (participates in β ladder)trans-75.5155.5175.2-63-63.714300110.7S271 E272 A273 Q331M269-S271 PolarHBondContact O-N 2.8Å; M269-E272 HydrophobicContact CB-CB 4.33Å; M269-E272 HydrophobicContact CB-CG 4.08Å; M269-E272 PolarHBondContact N-OE2 3.14Å; M269-E272 WeakPolarHBondContact O-CB 3.46Å; M269-E272 PolarHBondContact O-N 3.41Å; M269-A273 PolarHBondContact O-N 3.22Å; M269-Q331 HydrophobicContact CE-CB 4.35Å; M269-Q331 HydrophobicContact SD-CB 4.23Å
270L93.1Very high94.6Very high58 Ų5851.8 Ų51.830%0.30428%0.282SS..Hα-helixtrans-56-36.6174.4-178.363000112.5A273 L274 V330 Q331 F332L270-A273 PolarHBondContact O-N 3.38Å; L270-L274 HydrophobicContact CD1-CD1 4.16Å; L270-L274 HydrophobicContact CD1-CG 4.39Å; L270-L274 HydrophobicContact CG-CD1 4.15Å; L270-L274 WeakPolarHBondContact O-CG 2.99Å; L270-L274 PolarHBondContact O-N 3.09Å; L270-V330 HydrophobicContact CB-CG1 4.3Å; L270-V330 HydrophobicContact CD1-CG1 4.08Å; L270-Q331 PolarHBondContact N-O 2.95Å; L270-Q331 VanDerWaalsContact N-O 3.13Å; L270-F332 HydrophobicContact CD1-CE1 4.04Å; L270-F332 HydrophobicContact CD1-CZ 4.4Å; L270-F332 HydrophobicContact CD2-CD1 3.95Å; L270-F332 HydrophobicContact CD2-CE1 4.02Å
271S92.7Very high94.6Very high75 Ų7550.6 Ų50.652%0.52427%0.274SS..Hα-helixtrans-64.6-43.6174.751.20000112.3M269 A273 L274 C275M269-S271 PolarHBondContact O-N 2.8Å; S271-A273 VanDerWaalsContact C-N 3.29Å; S271-A273 PolarHBondContact O-N 2.86Å; S271-L274 PolarHBondContact O-N 2.87Å; S271-C275 VanDerWaalsContact O-CB 3.25Å; S271-C275 WeakPolarHBondContact O-CB 3.32Å; S271-C275 PolarHBondContact O-N 3.29Å
272E94.4Very high94.5Very high48 Ų4853.2 Ų53.222%0.22429%0.287CS..Hα-helixtrans-62.6-37.6175.8-70.9178156.400111.4I268 M269 L274 G276 M277 K279I268-E272 VanDerWaalsContact CA-OE2 3.24Å; I268-E272 WeakPolarHBondContact CA-OE2 3.36Å; I268-E272 HydrophobicContact CB-CB 4.23Å; I268-E272 WeakPolarHBondContact CB-OE2 3.43Å; M269-E272 HydrophobicContact CB-CB 4.33Å; M269-E272 HydrophobicContact CB-CG 4.08Å; M269-E272 PolarHBondContact N-OE2 3.14Å; M269-E272 WeakPolarHBondContact O-CB 3.46Å; M269-E272 PolarHBondContact O-N 3.41Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 3.2Å; E272-G276 CarbonylContact O-C 3.56Å; E272-G276 PolarHBondContact O-N 3.29Å; E272-M277 HydrophobicContact CB-CB 3.83Å; E272-M277 HydrophobicContact CG-CB 4.4Å; E272-K279 VanDerWaalsContact CD-CE 3.44Å; E272-K279 WeakPolarHBondContact OE1-CE 3.38Å; E272-K279 IonicContact OE1-NZ 2.93Å; E272-K279 WeakPolarHBondContact OE2-CE 3.42Å; E272-K279 IonicContact OE2-NZ 3.72Å; E272-K279 PolarHBondContact OE2-NZ 3.04Å
273A94.4Very high94.3Very high1 Ų153.7 Ų53.71%0.00829%0.29CS..Hα-helixtrans-68.6-27178.900000113.7I268 M269 L270 S271 I298 I299 V330I268-A273 HydrophobicContact CD1-CB 3.75Å; I268-A273 HydrophobicContact CG1-CB 4.42Å; M269-A273 PolarHBondContact O-N 3.22Å; L270-A273 PolarHBondContact O-N 3.38Å; S271-A273 VanDerWaalsContact C-N 3.29Å; S271-A273 PolarHBondContact O-N 2.86Å; A273-I298 WeakPolarHBondContact O-CA 3.36Å; A273-I299 HydrophobicContact CB-CB 4.37Å; A273-I299 PolarHBondContact O-N 3.49Å; A273-V330 HydrophobicContact CB-CG1 4.14Å; A273-V330 HydrophobicContact CB-CG2 3.96Å
274L92.2Very high94.1Very high62 Ų6251.5 Ų51.533%0.32528%0.28SS..Hα-helixtrans-100.2-43.2-178.2-65.4173.7000112.8L270 S271 E272 G296 I298L270-L274 HydrophobicContact CD1-CD1 4.16Å; L270-L274 HydrophobicContact CD1-CG 4.39Å; L270-L274 HydrophobicContact CG-CD1 4.15Å; L270-L274 WeakPolarHBondContact O-CG 2.99Å; L270-L274 PolarHBondContact O-N 3.09Å; S271-L274 PolarHBondContact O-N 2.87Å; E272-L274 VanDerWaalsContact C-N 3.31Å; E272-L274 PolarHBondContact O-N 3.2Å; L274-G296 PolarHBondContact O-N 3.1Å; L274-I298 HydrophobicContact CD2-CG1 4.27Å; L274-I298 HydrophobicContact CD2-CG2 4.1Å
275C92Very high93.8Very high87 Ų8753.9 Ų53.959%0.58829%0.293SS*.Hα-helixtrans-985.6-170.7-590000113.4S271 P295S271-C275 VanDerWaalsContact O-CB 3.25Å; S271-C275 WeakPolarHBondContact O-CB 3.32Å; S271-C275 PolarHBondContact O-N 3.29Å; C275-P295 WeakPolarHBondContact O-CA 3.22Å; C275-P295 VanDerWaalsContact O-CB 3.28Å; C275-P295 WeakPolarHBondContact O-CB 3.38Å; C275-P295 WeakPolarHBondContact O-CG 3.32Å
276G92.3Very high93.6Very high19 Ų1949.9 Ų49.920%0.19629%0.29CS..  trans91.3147.6-173.100000111.6E272 T293E272-G276 CarbonylContact O-C 3.56Å; E272-G276 PolarHBondContact O-N 3.29Å; G276-T293 WeakPolarHBondContact CA-O 3.22Å
277M93.5Very high93.5Very high4 Ų456.4 Ų56.42%0.0231%0.313CS..  trans-124.4144.9-177.163.8132.7-7500110.9I268 E272 K279 L291 S292 T293 I299 F328I268-M277 HydrophobicContact CG2-SD 3.93Å; E272-M277 HydrophobicContact CB-CB 3.83Å; E272-M277 HydrophobicContact CG-CB 4.4Å; M277-K279 HydrophobicContact CE-CB 3.63Å; M277-K279 HydrophobicContact CE-CG 3.8Å; M277-K279 VanDerWaalsContact CE-N 3.31Å; M277-L291 HydrophobicContact CE-CB 3.69Å; M277-L291 WeakPolarHBondContact CE-O 3.44Å; M277-S292 CarbonylContact O-C 3.53Å; M277-S292 VanDerWaalsContact O-CA 3.22Å; M277-S292 WeakPolarHBondContact O-CA 3.22Å; M277-T293 HydrophobicContact CG-CG2 4Å; M277-T293 WeakPolarHBondContact CG-OG1 3.21Å; M277-T293 PolarHBondContact N-OG1 3.2Å; M277-T293 PolarHBondContact O-N 2.94Å; M277-I299 HydrophobicContact CG-CD1 4.13Å; M277-F328 HydrophobicContact SD-CE1 3.69Å; M277-F328 HydrophobicContact SD-CZ 4.34Å
278E93.9Very high93.5Very high150 Ų15061.4 Ų61.470%0.70133%0.327SS*.EExtended strand (participates in β ladder)trans-127110168.1-69.7-174.1177.500108.4L291E278-L291 WeakPolarHBondContact CA-O 3.31Å
279K93.1Very high93.4Very high51 Ų5162.8 Ų62.822%0.22234%0.335CS..EExtended strand (participates in β ladder)trans-131.6153.6176-68.3-165.2-178.6-171.40111.2V266 A267 I268 E272 M277 L291V266-K279 HydrophobicContact CG1-CD 4.1Å; A267-K279 PolarHBondContact O-NZ 2.87Å; I268-K279 HydrophobicContact CG2-CD 4.3Å; E272-K279 VanDerWaalsContact CD-CE 3.44Å; E272-K279 WeakPolarHBondContact OE1-CE 3.38Å; E272-K279 IonicContact OE1-NZ 2.93Å; E272-K279 WeakPolarHBondContact OE2-CE 3.42Å; E272-K279 IonicContact OE2-NZ 3.72Å; E272-K279 PolarHBondContact OE2-NZ 3.04Å; M277-K279 HydrophobicContact CE-CB 3.63Å; M277-K279 HydrophobicContact CE-CG 3.8Å; M277-K279 VanDerWaalsContact CE-N 3.31Å; K279-L291 PolarHBondContact N-O 3.1Å; K279-L291 PolarHBondContact O-N 2.87Å
280T94.6Very high93.4Very high92 Ų9265.3 Ų65.356%0.56435%0.345SS*.EExtended strand (participates in β ladder)trans-108.9131.3173-55.60000109.2K288 L289T280-K288 HydrophobicContact CG2-CB 3.62Å; T280-K288 HydrophobicContact CG2-CD 4.12Å; T280-K288 HydrophobicContact CG2-CG 4.02Å; T280-L289 CarbonylContact C-O 3.54Å; T280-L289 WeakPolarHBondContact CA-O 3.46Å
281L94.5Very high93.5Very high15 Ų1563.4 Ų63.48%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-116.7129.3175.9-178.1141.9000109.5F255 V264 V266 L289 L291 L324F255-L281 HydrophobicContact CE1-CD2 4Å; F255-L281 HydrophobicContact CZ-CD2 3.76Å; F255-L281 HydrophobicContact CZ-CG 4.44Å; V264-L281 HydrophobicContact CB-CD1 4.5Å; V264-L281 HydrophobicContact CG1-CD1 3.91Å; V264-L281 HydrophobicContact CG2-CD1 3.97Å; V266-L281 HydrophobicContact CG2-CD1 4.09Å; L281-L289 HydrophobicContact CD2-CD1 4.47Å; L281-L289 PolarHBondContact N-O 3.29Å; L281-L289 PolarHBondContact O-N 3.27Å; L281-L291 HydrophobicContact CB-CD1 4.04Å; L281-L291 HydrophobicContact CD1-CD1 4.34Å; L281-L324 HydrophobicContact CD2-CD2 3.96Å
282E94.3Very high93.5Very high120 Ų12063.8 Ų63.856%0.56134%0.338SS*.EExtended strand (participates in β ladder)trans-85.7121.5176.4-63-168.4161.900110F255 K288F255-E282 WeakPolarHBondContact CE2-O 3.42Å; F255-E282 VanDerWaalsContact CZ-O 3.24Å; F255-E282 WeakPolarHBondContact CZ-O 3.3Å; E282-K288 HydrophobicContact CG-CG 4.3Å; E282-K288 VanDerWaalsContact OE1-CE 3.31Å; E282-K288 WeakPolarHBondContact OE1-CE 3.43Å; E282-K288 IonicContact OE1-NZ 2.6Å
283T93.2Very high93.5Very high14 Ų1462.8 Ų62.89%0.08634%0.335CS..  trans-75.9166.6176.556.90000111.8D285 G286 R287 L289T283-D285 PolarHBondContact O-N 2.84Å; T283-G286 PolarHBondContact O-N 2.93Å; T283-R287 PolarHBondContact N-O 2.79Å; T283-R287 WeakPolarHBondContact OG1-CA 3.18Å; T283-R287 WeakPolarHBondContact OG1-CB 3.26Å; T283-R287 PolarHBondContact OG1-N 3.32Å; T283-R287 PolarHBondContact OG1-O 3.19Å; T283-L289 HydrophobicContact CG2-CD1 3.26Å; T283-L289 HydrophobicContact CG2-CG 3.54Å
284L93.2Very high93.3Very high8 Ų865.8 Ų65.84%0.04236%0.36CS..THydrogen-bonded Turntrans-61.4-27.3176.8-66168.7000113L119 K120 Y123 F255 L262 G286 M312L119-L284 HydrophobicContact CD2-CD1 4.02Å; L119-L284 HydrophobicContact CD2-CD2 4.48Å; L119-L284 HydrophobicContact CG-CD1 3.8Å; L119-L284 HydrophobicContact CG-CD2 4.42Å; K120-L284 HydrophobicContact CB-CD2 4.26Å; K120-L284 VanDerWaalsContact CE-O 3.3Å; K120-L284 WeakPolarHBondContact CE-O 3.39Å; K120-L284 WeakPolarHBondContact CG-O 3.38Å; Y123-L284 HydrophobicContact CD1-CB 4.29Å; Y123-L284 HydrophobicContact CD2-CB 3.93Å; Y123-L284 HydrophobicContact CD2-CD1 3.52Å; Y123-L284 HydrophobicContact CD2-CG 4.33Å; Y123-L284 HydrophobicContact CE2-CB 4.44Å; Y123-L284 HydrophobicContact CE2-CD1 4.26Å; Y123-L284 HydrophobicContact CG-CB 3.81Å; Y123-L284 HydrophobicContact CG-CD1 4.02Å; F255-L284 HydrophobicContact CD2-CD2 3.71Å; F255-L284 HydrophobicContact CD2-CG 4.07Å; F255-L284 HydrophobicContact CE2-CD2 4.16Å; F255-L284 HydrophobicContact CE2-CG 4.28Å; L262-L284 HydrophobicContact CD1-CD1 3.74Å; L262-L284 HydrophobicContact CD2-CD1 4.36Å; L284-G286 VanDerWaalsContact C-N 3.27Å; L284-G286 PolarHBondContact O-N 3.42Å; L284-M312 HydrophobicContact CD1-SD 4.3Å
285D91.4Very high93.2Very high55 Ų5568 Ų6829%0.29438%0.378SS..THydrogen-bonded Turntrans-76-8.9173.3-77.8-15.4000113.9Y123 T124 T283 R287 K321Y123-D285 WeakPolarHBondContact CD1-OD1 3.19Å; Y123-D285 HydrophobicContact CE1-CB 4.41Å; Y123-D285 WeakPolarHBondContact CE1-OD1 3.17Å; Y123-D285 WeakPolarHBondContact CE1-OD2 3.49Å; T124-D285 WeakPolarHBondContact CG2-OD1 3.45Å; T283-D285 PolarHBondContact O-N 2.84Å; D285-R287 HydrophobicContact CB-CG 4.37Å; D285-K321 IonicContact OD2-NZ 3.28Å
286G91.6Very high92.9Very high51 Ų5166.6 Ų66.653%0.52638%0.378SS..SBendtrans84.74.4-174.200000114.9T283 L284T283-G286 PolarHBondContact O-N 2.93Å; L284-G286 VanDerWaalsContact C-N 3.27Å; L284-G286 PolarHBondContact O-N 3.42Å
287R93Very high92.9Very high153 Ų15368.5 Ų68.558%0.57738%0.384SS*.PPolyproline II helixtrans-75.5149.2171.8-57.1177.8-172.7171.70.9110.4T283 D285T283-R287 PolarHBondContact N-O 2.79Å; T283-R287 WeakPolarHBondContact OG1-CA 3.18Å; T283-R287 WeakPolarHBondContact OG1-CB 3.26Å; T283-R287 PolarHBondContact OG1-N 3.32Å; T283-R287 PolarHBondContact OG1-O 3.19Å; D285-R287 HydrophobicContact CB-CG 4.37Å
288K95.2Very high92.8Very high144 Ų14472.8 Ų72.863%0.62641%0.406SS*.EExtended strand (participates in β ladder)trans-98117.5176.9-68.9-173.5178.8-170.20109.8T280 E282T280-K288 HydrophobicContact CG2-CB 3.62Å; T280-K288 HydrophobicContact CG2-CD 4.12Å; T280-K288 HydrophobicContact CG2-CG 4.02Å; E282-K288 HydrophobicContact CG-CG 4.3Å; E282-K288 VanDerWaalsContact OE1-CE 3.31Å; E282-K288 WeakPolarHBondContact OE1-CE 3.43Å; E282-K288 IonicContact OE1-NZ 2.6Å
289L94.4Very high92.8Very high30 Ų3065.9 Ų65.916%0.15737%0.373CS..EExtended strand (participates in β ladder)trans-95.1119.9173-69.3174.2000109.2T280 L281 T283 E310 L324T280-L289 CarbonylContact C-O 3.54Å; T280-L289 WeakPolarHBondContact CA-O 3.46Å; L281-L289 HydrophobicContact CD2-CD1 4.47Å; L281-L289 PolarHBondContact N-O 3.29Å; L281-L289 PolarHBondContact O-N 3.27Å; T283-L289 HydrophobicContact CG2-CD1 3.26Å; T283-L289 HydrophobicContact CG2-CG 3.54Å; L289-E310 HydrophobicContact CD1-CB 4.09Å; L289-E310 HydrophobicContact CD1-CG 3.78Å; L289-E310 HydrophobicContact CD2-CG 4.21Å; L289-L324 HydrophobicContact CD1-CD2 4.23Å
290Q95Very high92.8Very high134 Ų13468.6 Ų68.663%0.62639%0.39SS*.EExtended strand (participates in β ladder)trans-82.5117.4170-173175.8-0.800108.8
291L93.8Very high92.8Very high18 Ų1870 Ų709%0.09439%0.39CS..EExtended strand (participates in β ladder)trans-95.5121172.5-56.6174.9000107M277 E278 K279 L281 V307 I326M277-L291 HydrophobicContact CE-CB 3.69Å; M277-L291 WeakPolarHBondContact CE-O 3.44Å; E278-L291 WeakPolarHBondContact CA-O 3.31Å; K279-L291 PolarHBondContact N-O 3.1Å; K279-L291 PolarHBondContact O-N 2.87Å; L281-L291 HydrophobicContact CB-CD1 4.04Å; L281-L291 HydrophobicContact CD1-CD1 4.34Å; L291-V307 HydrophobicContact CD2-CG2 3.91Å; L291-I326 HydrophobicContact CD1-CD1 3.69Å; L291-I326 HydrophobicContact CD2-CD1 3.63Å; L291-I326 HydrophobicContact CG-CD1 4.31Å
292S93.6Very high92.9Very high84 Ų8470.6 Ų70.659%0.58740%0.4SS*.EExtended strand (participates in β ladder)trans-130.2133.8177.858.90000110.7M277M277-S292 CarbonylContact O-C 3.53Å; M277-S292 VanDerWaalsContact O-CA 3.22Å; M277-S292 WeakPolarHBondContact O-CA 3.22Å
293T93.3Very high92.9Very high27 Ų2767.1 Ų67.117%0.16639%0.386CS..  trans-117.6145.5167.658.70000111G276 M277 I299G276-T293 WeakPolarHBondContact CA-O 3.22Å; M277-T293 HydrophobicContact CG-CG2 4Å; M277-T293 WeakPolarHBondContact CG-OG1 3.21Å; M277-T293 PolarHBondContact N-OG1 3.2Å; M277-T293 PolarHBondContact O-N 2.94Å; T293-I299 HydrophobicContact CG2-CD1 3.83Å
294A91.8Very high93Very high63 Ų6372.2 Ų72.252%0.52140%0.404SS..  trans-70.8143.8179.100000110.4G296 D297A294-G296 PolarHBondContact O-N 2.9Å; A294-D297 WeakPolarHBondContact O-CB 3.32Å; A294-D297 PolarHBondContact O-N 2.94Å
295P90.3Very high93.1Very high110 Ų11075.9 Ų75.971%0.71442%0.417SS*.THydrogen-bonded Turntrans-54.9128170.7-2433.1000111.4C275C275-P295 WeakPolarHBondContact O-CA 3.22Å; C275-P295 VanDerWaalsContact O-CB 3.28Å; C275-P295 WeakPolarHBondContact O-CB 3.38Å; C275-P295 WeakPolarHBondContact O-CG 3.32Å
296G85Confident93.4Very high56 Ų5676.9 Ų76.958%0.57743%0.425SS*.THydrogen-bonded Turntrans90.5-9.8-175.800000115.5L274 A294 I298L274-G296 PolarHBondContact O-N 3.1Å; A294-G296 PolarHBondContact O-N 2.9Å; G296-I298 PolarHBondContact O-N 2.87Å; G296-I298 VanDerWaalsContact O-N 3.09Å
297D92.2Very high93.5Very high60 Ų6076.3 Ų76.332%0.32141%0.412SS..  trans-77.589164.9-17314.1000108.8A294 I299 R305A294-D297 WeakPolarHBondContact O-CB 3.32Å; A294-D297 PolarHBondContact O-N 2.94Å; D297-I299 PolarHBondContact O-N 3.06Å; D297-R305 IonicContact OD1-CZ 2.72Å; D297-R305 IonicContact OD1-NH1 2.7Å; D297-R305 IonicContact OD1-NH2 3.65Å; D297-R305 PolarHBondContact OD1-NH2 3.21Å; D297-R305 IonicContact OD2-CZ 3.01Å; D297-R305 IonicContact OD2-NH1 3.59Å; D297-R305 PolarHBondContact OD2-NH1 3.34Å; D297-R305 IonicContact OD2-NH2 2.66Å; D297-R305 PolarHBondContact OD2-NH2 3.16Å
298I91.2Very high93.7Very high93 Ų9375.5 Ų75.548%0.47742%0.418SS..PPolyproline II helixtrans-68.5124.8-172.6-61.3170.3000110.3A273 L274 G296A273-I298 WeakPolarHBondContact O-CA 3.36Å; L274-I298 HydrophobicContact CD2-CG1 4.27Å; L274-I298 HydrophobicContact CD2-CG2 4.1Å; G296-I298 PolarHBondContact O-N 2.87Å; G296-I298 VanDerWaalsContact O-N 3.09Å
299I93.7Very high93.6Very high5 Ų570.1 Ų70.13%0.02640%0.404CS..PPolyproline II helixtrans-99118.8173.4-54.7175.1000109.1I268 A273 M277 T293 D297 D303 F328I268-I299 HydrophobicContact CD1-CB 4Å; I268-I299 HydrophobicContact CD1-CD1 3.87Å; I268-I299 HydrophobicContact CD1-CG2 3.83Å; A273-I299 HydrophobicContact CB-CB 4.37Å; A273-I299 PolarHBondContact O-N 3.49Å; M277-I299 HydrophobicContact CG-CD1 4.13Å; T293-I299 HydrophobicContact CG2-CD1 3.83Å; D297-I299 PolarHBondContact O-N 3.06Å; I299-D303 HydrophobicContact CG2-CB 4.08Å; I299-F328 HydrophobicContact CD1-CD1 4.4Å; I299-F328 HydrophobicContact CD1-CE1 4.29Å; I299-F328 HydrophobicContact CD1-CZ 4.35Å; I299-F328 HydrophobicContact CG2-CB 3.54Å; I299-F328 HydrophobicContact CG2-CD1 4.3Å; I299-F328 HydrophobicContact CG2-CD2 3.71Å; I299-F328 HydrophobicContact CG2-CE2 4.5Å; I299-F328 HydrophobicContact CG2-CG 3.58Å
300N94.1Very high93.6Very high108 Ų10870.7 Ų70.758%0.57841%0.406SS*.PPolyproline II helixtrans-78.9156.8175.4-66.3-53.1000111.5G302 D303N300-G302 PolarHBondContact O-N 3.38Å; N300-D303 HydrophobicContact CB-CB 4.27Å; N300-D303 WeakPolarHBondContact O-CB 3.49Å; N300-D303 PolarHBondContact O-N 3.25Å
301H94.8Very high93.7Very high122 Ų12264.3 Ų64.357%0.56538%0.376SS*.THydrogen-bonded Turntrans-63.2126.4170.1-175.493.9000110.2D303 V330H301-D303 VanDerWaalsContact C-N 3.31Å; H301-V330 HydrophobicContact CB-CB 4.11Å; H301-V330 HydrophobicContact CB-CG2 4.2Å; H301-V330 PolarHBondContact ND1-N 2.84Å; H301-V330 PolarHBondContact ND1-O 2.87Å
302G94.7Very high93.8Very high28 Ų2863.5 Ų63.529%0.28937%0.371SS..THydrogen-bonded Turntrans79.310.3-175.300000114.2N300 F328N300-G302 PolarHBondContact O-N 3.38Å; G302-F328 WeakPolarHBondContact CA-O 3.37Å; G302-F328 PolarHBondContact N-O 2.71Å
303D95Very high93.9Very high47 Ų4759.7 Ų59.725%0.25135%0.345SS..  trans-69.4150.7173.4-167.925.7000111.3I299 N300 H301 R305 F328I299-D303 HydrophobicContact CG2-CB 4.08Å; N300-D303 HydrophobicContact CB-CB 4.27Å; N300-D303 WeakPolarHBondContact O-CB 3.49Å; N300-D303 PolarHBondContact O-N 3.25Å; H301-D303 VanDerWaalsContact C-N 3.31Å; D303-R305 IonicContact OD2-NE 3.11Å; D303-R305 PolarHBondContact OD2-NE 3.47Å; D303-F328 PolarHBondContact O-N 3.02Å
304Y96Very high94Very high121 Ų12162 Ų6248%0.47535%0.353SS..EExtended strand (participates in β ladder)trans-115.4125.6179.9-69-83.8000110.6I325 I326 E327Y304-I325 HydrophobicContact CD1-CG2 3.71Å; Y304-I325 HydrophobicContact CE1-CG2 4.5Å; Y304-I325 HydrophobicContact CG-CG2 4.47Å; Y304-I326 VanDerWaalsContact CA-O 3.29Å; Y304-I326 WeakPolarHBondContact CA-O 3.45Å; Y304-E327 HydrophobicContact CD1-CB 3.94Å; Y304-E327 HydrophobicContact CD1-CG 4.35Å; Y304-E327 HydrophobicContact CE1-CB 3.55Å; Y304-E327 HydrophobicContact CE1-CG 3.72Å; Y304-E327 PolarHBondContact OH-OE2 2.83Å
305R95.4Very high94.1Very high85 Ų8563.4 Ų63.432%0.32135%0.345SS..EExtended strand (participates in β ladder)trans-116.7154.5165.9-58-69.9-178.61220.5110.5D297 D303 I326 F328D297-R305 IonicContact OD1-CZ 2.72Å; D297-R305 IonicContact OD1-NH1 2.7Å; D297-R305 IonicContact OD1-NH2 3.65Å; D297-R305 PolarHBondContact OD1-NH2 3.21Å; D297-R305 IonicContact OD2-CZ 3.01Å; D297-R305 IonicContact OD2-NH1 3.59Å; D297-R305 PolarHBondContact OD2-NH1 3.34Å; D297-R305 IonicContact OD2-NH2 2.66Å; D297-R305 PolarHBondContact OD2-NH2 3.16Å; D303-R305 IonicContact OD2-NE 3.11Å; D303-R305 PolarHBondContact OD2-NE 3.47Å; R305-I326 PolarHBondContact N-O 3.37Å; R305-I326 PolarHBondContact O-N 3.17Å; R305-F328 HydrophobicContact CB-CE2 3.74Å; R305-F328 HydrophobicContact CG-CD2 4.27Å; R305-F328 HydrophobicContact CG-CE2 3.54Å; R305-F328 HydrophobicContact CG-CZ 4.43Å
306T96.3Very high94.2Very high75 Ų7561.7 Ų61.746%0.4635%0.347SS..EExtended strand (participates in β ladder)trans-121.3130.8-175.5-58.40000110.4L308 N323 L324 I325T306-L308 HydrophobicContact CG2-CD2 4.26Å; T306-N323 HydrophobicContact CG2-CB 3.49Å; T306-N323 VanDerWaalsContact CG2-CB 3.49Å; T306-L324 CarbonylContact C-O 3.22Å; T306-L324 WeakPolarHBondContact CA-O 3.33Å; T306-I325 HydrophobicContact CG2-CG1 4.35Å
307V95.6Very high94.6Very high40 Ų4062.1 Ų62.124%0.24234%0.336CS..EExtended strand (participates in β ladder)trans-99.7116166.2-172.90000107.7L291 E310 L324 I326L291-V307 HydrophobicContact CD2-CG2 3.91Å; V307-E310 HydrophobicContact CB-CB 4.34Å; V307-E310 HydrophobicContact CB-CG 4.48Å; V307-E310 HydrophobicContact CG1-CB 4Å; V307-E310 HydrophobicContact CG1-CG 3.62Å; V307-L324 HydrophobicContact CB-CB 4.26Å; V307-L324 PolarHBondContact N-O 2.94Å; V307-L324 PolarHBondContact O-N 3.06Å; V307-I326 HydrophobicContact CG2-CD1 3.86Å
308L95.6Very high94.4Very high136 Ų13662.1 Ų62.171%0.71234%0.34SS*.THydrogen-bonded Turntrans-69.9136.7-176.5-61.4176.2000110.6T306 E310 N323T306-L308 HydrophobicContact CG2-CD2 4.26Å; L308-E310 VanDerWaalsContact C-N 3.27Å; L308-E310 PolarHBondContact O-N 3.25Å; L308-N323 WeakPolarHBondContact CA-OD1 3.24Å
309G94.3Very high94.4Very high31 Ų3163.8 Ų63.832%0.3235%0.354SS..THydrogen-bonded Turntrans74.47.3174.600000116K321 G322 N323G309-K321 VanDerWaalsContact O-CB 3.29Å; G309-K321 WeakPolarHBondContact O-CB 3.27Å; G309-K321 WeakPolarHBondContact O-CD 3.37Å; G309-G322 CarbonylContact C-O 3.13Å; G309-G322 WeakPolarHBondContact CA-O 3.17Å; G309-G322 PolarHBondContact N-O 3.24Å; G309-N323 PolarHBondContact N-OD1 3.49Å; G309-N323 VanDerWaalsContact N-OD1 3.16Å
310E94.9Very high94.5Very high42 Ų4269 Ų6920%0.19638%0.378CS..  trans-106.216-179.9-68.5-63.4163.400113.8L289 V307 L308 G322 L324L289-E310 HydrophobicContact CD1-CB 4.09Å; L289-E310 HydrophobicContact CD1-CG 3.78Å; L289-E310 HydrophobicContact CD2-CG 4.21Å; V307-E310 HydrophobicContact CB-CB 4.34Å; V307-E310 HydrophobicContact CB-CG 4.48Å; V307-E310 HydrophobicContact CG1-CB 4Å; V307-E310 HydrophobicContact CG1-CG 3.62Å; L308-E310 VanDerWaalsContact C-N 3.27Å; L308-E310 PolarHBondContact O-N 3.25Å; E310-G322 PolarHBondContact N-O 3.38Å; E310-L324 HydrophobicContact CB-CB 3.84Å
311G95.3Very high94.5Very high0 Ų066.3 Ų66.30%036%0.361CS..SBendtrans-86.3-161.3173.900000113.7Y123 G322 N323Y123-G311 WeakPolarHBondContact CE2-O 3.41Å; G311-G322 VanDerWaalsContact CA-C 3.5Å; G311-G322 WeakPolarHBondContact CA-O 3.18Å; G311-G322 PolarHBondContact N-O 3.33Å; G311-N323 WeakPolarHBondContact CA-O 3.47Å
312M96.3Very high94.5Very high0 Ų060.7 Ų60.70%034%0.336CS..PPolyproline II helixtrans-69.2143.8175.6-70.4-64.6-75.400111L119 M122 Y123 R257 V260 L262 L284 K321 G322L119-M312 HydrophobicContact CD1-CE 3.86Å; L119-M312 HydrophobicContact CD1-SD 3.7Å; L119-M312 HydrophobicContact CG-SD 4.46Å; M122-M312 HydrophobicContact CB-CE 3.94Å; Y123-M312 HydrophobicContact CD2-SD 3.64Å; Y123-M312 HydrophobicContact CG-SD 4.4Å; R257-M312 HydrophobicContact CG-CG 3.9Å; V260-M312 PolarHBondContact O-N 3.45Å; L262-M312 HydrophobicContact CD1-CG 4.49Å; L262-M312 HydrophobicContact CD1-SD 4.37Å; L262-M312 HydrophobicContact CD2-CG 3.73Å; L262-M312 HydrophobicContact CD2-SD 3.89Å; L262-M312 HydrophobicContact CG-CG 3.99Å; L262-M312 HydrophobicContact CG-SD 4.38Å; L284-M312 HydrophobicContact CD1-SD 4.3Å; M312-K321 WeakPolarHBondContact O-CA 3.37Å; M312-G322 PolarHBondContact O-N 3Å
313P96.5Very high94.7Very high4 Ų461.4 Ų61.43%0.02633%0.333CS..EExtended strand (participates in β ladder)trans-62.9147.9170.123.7-29.4000111.4K218 G219 P318 E320 K321K218-P313 HydrophobicContact CB-CG 4.24Å; G219-P313 WeakPolarHBondContact CA-O 3.44Å; P313-P318 HydrophobicContact CB-CB 4.48Å; P313-E320 WeakPolarHBondContact CA-O 3.18Å; P313-K321 HydrophobicContact CB-CG 4.39Å
314F95.2Very high94.8Very high77 Ų7759.3 Ų59.334%0.33832%0.322SS..EExtended strand (participates in β ladder)trans-70.7135.1172.6-75.4-94.6000110.2V260 G316 N317 E320V260-F314 HydrophobicContact CB-CE1 4.34Å; V260-F314 HydrophobicContact CB-CZ 4.34Å; V260-F314 HydrophobicContact CG1-CD1 3.85Å; V260-F314 HydrophobicContact CG1-CE1 3.73Å; V260-F314 HydrophobicContact CG1-CG 4.43Å; V260-F314 HydrophobicContact CG1-CZ 4.21Å; V260-F314 HydrophobicContact CG2-CE1 4.25Å; V260-F314 HydrophobicContact CG2-CZ 4.08Å; F314-G316 PolarHBondContact O-N 3.32Å; F314-N317 CarbonylContact O-C 3.58Å; F314-N317 PolarHBondContact O-N 3.25Å; F314-N317 VanDerWaalsContact O-N 3.16Å; F314-E320 HydrophobicContact CD2-CB 3.66Å; F314-E320 WeakPolarHBondContact CD2-O 3.41Å; F314-E320 HydrophobicContact CE2-CB 4.17Å; F314-E320 PolarHBondContact N-O 2.72Å
315Y93.5Very high94.8Very high92 Ų9254.8 Ų54.836%0.36131%0.306SS..THydrogen-bonded Turntrans-60.6127.2174.9-176.4-110.3000110.5E217 V220 K224 N317E217-Y315 HydrophobicContact CB-CE2 3.99Å; E217-Y315 WeakPolarHBondContact OE2-CE2 3.49Å; E217-Y315 PolarHBondContact OE2-OH 3.06Å; V220-Y315 HydrophobicContact CB-CD2 4.18Å; V220-Y315 HydrophobicContact CB-CE2 4.19Å; V220-Y315 HydrophobicContact CG2-CD2 4.48Å; V220-Y315 HydrophobicContact CG2-CE2 4.16Å; K224-Y315 PolarHBondContact NZ-OH 2.87Å; Y315-N317 PolarHBondContact O-N 3.12Å
316G92.1Very high94.9Very high74 Ų7450.9 Ų50.976%0.76329%0.291SS*.THydrogen-bonded Turntrans80.3-20.9-176.900000115.3F314F314-G316 PolarHBondContact O-N 3.32Å
317N93.5Very high95Very high64 Ų6449 Ų4934%0.34228%0.277SS..EExtended strand (participates in β ladder)trans-127.878.9172.2-173.312.3000110.8F314 Y315 V319 E320F314-N317 CarbonylContact O-C 3.58Å; F314-N317 PolarHBondContact O-N 3.25Å; F314-N317 VanDerWaalsContact O-N 3.16Å; Y315-N317 PolarHBondContact O-N 3.12Å; N317-V319 PolarHBondContact O-N 3.09Å; N317-V319 VanDerWaalsContact O-N 3.13Å; N317-E320 PolarHBondContact ND2-OE2 3.22Å; N317-E320 PolarHBondContact O-N 2.82Å
318P88.8Confident95Very high60 Ų6047.4 Ų47.439%0.3927%0.267SS..EExtended strand (participates in β ladder)trans-72.8-5.1-172.830.3-36.4000114.4K218 P313K218-P318 HydrophobicContact CB-CB 4.07Å; K218-P318 HydrophobicContact CD-CB 3.93Å; P313-P318 HydrophobicContact CB-CB 4.48Å
319V91.5Very high95.1Very high128 Ų12843 Ų4378%0.77625%0.245SC*.EExtended strand (participates in β ladder)trans-73.6-39.3176.9-178.70000110.4N317N317-V319 PolarHBondContact O-N 3.09Å; N317-V319 VanDerWaalsContact O-N 3.13Å
320E94.4Very high95.1Very high114 Ų11441.9 Ų41.953%0.53323%0.233SC..EExtended strand (participates in β ladder)trans-84.6141.2175.3-68.8177.7-177.100109.8P313 F314 N317P313-E320 WeakPolarHBondContact CA-O 3.18Å; F314-E320 HydrophobicContact CD2-CB 3.66Å; F314-E320 WeakPolarHBondContact CD2-O 3.41Å; F314-E320 HydrophobicContact CE2-CB 4.17Å; F314-E320 PolarHBondContact N-O 2.72Å; N317-E320 PolarHBondContact ND2-OE2 3.22Å; N317-E320 PolarHBondContact O-N 2.82Å
321K95.3Very high95.2Very high53 Ų5344.1 Ų44.123%0.2324%0.243CC..EExtended strand (participates in β ladder)trans-128.7150.6177.8-65.2-178.8177.8-173.20109.4Y123 D285 G309 M312 P313Y123-K321 WeakPolarHBondContact OH-CE 3.15Å; Y123-K321 PolarHBondContact OH-NZ 3.33Å; D285-K321 IonicContact OD2-NZ 3.28Å; G309-K321 VanDerWaalsContact O-CB 3.29Å; G309-K321 WeakPolarHBondContact O-CB 3.27Å; G309-K321 WeakPolarHBondContact O-CD 3.37Å; M312-K321 WeakPolarHBondContact O-CA 3.37Å; P313-K321 HydrophobicContact CB-CG 4.39Å
322G95.2Very high95Very high3 Ų350.9 Ų50.93%0.03127%0.273CS..  trans-69.6-162.316700000111.7V260 G309 E310 G311 M312V260-G322 WeakPolarHBondContact O-CA 3.36Å; G309-G322 CarbonylContact C-O 3.13Å; G309-G322 WeakPolarHBondContact CA-O 3.17Å; G309-G322 PolarHBondContact N-O 3.24Å; E310-G322 PolarHBondContact N-O 3.38Å; G311-G322 VanDerWaalsContact CA-C 3.5Å; G311-G322 WeakPolarHBondContact CA-O 3.18Å; G311-G322 PolarHBondContact N-O 3.33Å; M312-G322 PolarHBondContact O-N 3Å
323N97.3Very high94.7Very high43 Ų4353.7 Ų53.723%0.2329%0.291CS..  trans-109.3151.2-178.4-55.5-34.3000112.1H261 L262 T306 L308 G309 G311H261-N323 VanDerWaalsContact CA-O 3.31Å; H261-N323 WeakPolarHBondContact CA-O 3.49Å; H261-N323 PolarHBondContact ND1-N 3.41Å; H261-N323 VanDerWaalsContact ND1-N 3.13Å; L262-N323 PolarHBondContact N-O 2.92Å; T306-N323 HydrophobicContact CG2-CB 3.49Å; T306-N323 VanDerWaalsContact CG2-CB 3.49Å; L308-N323 WeakPolarHBondContact CA-OD1 3.24Å; G309-N323 PolarHBondContact N-OD1 3.49Å; G309-N323 VanDerWaalsContact N-OD1 3.16Å; G311-N323 WeakPolarHBondContact CA-O 3.47Å
324L97.3Very high94.4Very high3 Ų358.2 Ų58.22%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-92.4121.2167.4176.766.6000108.9F255 L262 V264 L281 L289 T306 V307 E310 I326F255-L324 HydrophobicContact CD1-CD1 4.18Å; F255-L324 HydrophobicContact CE1-CD1 3.93Å; L262-L324 HydrophobicContact CB-CD1 3.74Å; L262-L324 CarbonylContact O-C 3.4Å; L262-L324 WeakPolarHBondContact O-CA 3.34Å; V264-L324 HydrophobicContact CB-CD1 4.44Å; V264-L324 HydrophobicContact CG1-CD1 3.84Å; V264-L324 HydrophobicContact CG1-CG 4.34Å; L281-L324 HydrophobicContact CD2-CD2 3.96Å; L289-L324 HydrophobicContact CD1-CD2 4.23Å; T306-L324 CarbonylContact C-O 3.22Å; T306-L324 WeakPolarHBondContact CA-O 3.33Å; V307-L324 HydrophobicContact CB-CB 4.26Å; V307-L324 PolarHBondContact N-O 2.94Å; V307-L324 PolarHBondContact O-N 3.06Å; E310-L324 HydrophobicContact CB-CB 3.84Å; L324-I326 HydrophobicContact CD2-CD1 4.44Å; L324-I326 HydrophobicContact CD2-CG1 4.4Å; L324-I326 HydrophobicContact CG-CG1 4.18Å
325I97.6Very high93.9Very high27 Ų2757.2 Ų57.214%0.13833%0.327CS..EExtended strand (participates in β ladder)trans-106.7123.1179.6-61.7165.3000107.8H261 L262 F263 V264 Y304 T306H261-I325 HydrophobicContact CB-CD1 4.05Å; L262-I325 PolarHBondContact O-N 2.88Å; F263-I325 CarbonylContact C-O 3.56Å; F263-I325 VanDerWaalsContact CA-O 3.29Å; F263-I325 WeakPolarHBondContact CA-O 3.33Å; F263-I325 HydrophobicContact CD1-CB 3.89Å; F263-I325 HydrophobicContact CD1-CD1 4.49Å; F263-I325 HydrophobicContact CD1-CG2 3.78Å; F263-I325 HydrophobicContact CE1-CB 3.86Å; F263-I325 HydrophobicContact CE1-CD1 3.72Å; F263-I325 HydrophobicContact CE1-CG1 4.4Å; F263-I325 HydrophobicContact CE1-CG2 3.6Å; F263-I325 HydrophobicContact CE2-CD1 3.84Å; F263-I325 HydrophobicContact CG-CB 4.37Å; F263-I325 HydrophobicContact CZ-CB 4.28Å; F263-I325 HydrophobicContact CZ-CD1 3.34Å; F263-I325 HydrophobicContact CZ-CG1 4.39Å; F263-I325 HydrophobicContact CZ-CG2 4.39Å; V264-I325 PolarHBondContact N-O 3.11Å; Y304-I325 HydrophobicContact CD1-CG2 3.71Å; Y304-I325 HydrophobicContact CE1-CG2 4.5Å; Y304-I325 HydrophobicContact CG-CG2 4.47Å; T306-I325 HydrophobicContact CG2-CG1 4.35Å
326I97Very high93.3Very high3 Ų360.9 Ų60.92%0.01535%0.352CS..EExtended strand (participates in β ladder)trans-110.3116.5-173.8-55.9173.2000107.8V264 V266 L291 Y304 R305 V307 L324 F328V264-I326 HydrophobicContact CG1-CB 4.22Å; V264-I326 HydrophobicContact CG1-CG1 3.73Å; V264-I326 HydrophobicContact CG1-CG2 4.28Å; V264-I326 WeakPolarHBondContact O-CA 3.19Å; V266-I326 HydrophobicContact CB-CG2 3.9Å; V266-I326 HydrophobicContact CG2-CG2 3.61Å; L291-I326 HydrophobicContact CD1-CD1 3.69Å; L291-I326 HydrophobicContact CD2-CD1 3.63Å; L291-I326 HydrophobicContact CG-CD1 4.31Å; Y304-I326 VanDerWaalsContact CA-O 3.29Å; Y304-I326 WeakPolarHBondContact CA-O 3.45Å; R305-I326 PolarHBondContact N-O 3.37Å; R305-I326 PolarHBondContact O-N 3.17Å; V307-I326 HydrophobicContact CG2-CD1 3.86Å; L324-I326 HydrophobicContact CD2-CD1 4.44Å; L324-I326 HydrophobicContact CD2-CG1 4.4Å; L324-I326 HydrophobicContact CG-CG1 4.18Å; I326-F328 HydrophobicContact CB-CE2 4.23Å; I326-F328 HydrophobicContact CB-CZ 4.34Å; I326-F328 HydrophobicContact CG2-CD1 4.38Å; I326-F328 HydrophobicContact CG2-CD2 4.31Å; I326-F328 HydrophobicContact CG2-CE1 3.95Å; I326-F328 HydrophobicContact CG2-CE2 3.85Å; I326-F328 HydrophobicContact CG2-CZ 3.67Å
327E97.1Very high93.1Very high35 Ų3560.3 Ų60.316%0.16434%0.336CS..EExtended strand (participates in β ladder)trans-89.4122.6169.3-173.5-175.814400109V264 K265 V266 Y304V264-E327 PolarHBondContact O-N 2.8Å; K265-E327 WeakPolarHBondContact CA-O 3.34Å; K265-E327 WeakPolarHBondContact CE-OE2 3.37Å; K265-E327 HydrophobicContact CG-CB 4.27Å; K265-E327 VanDerWaalsContact NZ-CD 3.29Å; K265-E327 IonicContact NZ-OE1 3.64Å; K265-E327 PolarHBondContact NZ-OE1 2.95Å; K265-E327 IonicContact NZ-OE2 3.56Å; K265-E327 PolarHBondContact NZ-OE2 2.98Å; K265-E327 VanDerWaalsContact NZ-OE2 3.08Å; V266-E327 PolarHBondContact N-O 3.01Å; Y304-E327 HydrophobicContact CD1-CB 3.94Å; Y304-E327 HydrophobicContact CD1-CG 4.35Å; Y304-E327 HydrophobicContact CE1-CB 3.55Å; Y304-E327 HydrophobicContact CE1-CG 3.72Å; Y304-E327 PolarHBondContact OH-OE2 2.83Å
328F96.5Very high92.8Very high6 Ų660.3 Ų60.33%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-90.9122.8179.2-70-80.3000111.9V266 I268 M277 I299 G302 D303 R305 I326V266-F328 HydrophobicContact CB-CD1 4.42Å; V266-F328 HydrophobicContact CB-CE1 4.47Å; V266-F328 HydrophobicContact CG1-CE1 4.48Å; V266-F328 WeakPolarHBondContact O-CA 3.16Å; I268-F328 HydrophobicContact CD1-CB 4.1Å; I268-F328 HydrophobicContact CD1-CD1 3.73Å; I268-F328 HydrophobicContact CD1-CG 4.17Å; I268-F328 HydrophobicContact CG1-CB 4.43Å; I268-F328 HydrophobicContact CG1-CD1 4.16Å; I268-F328 HydrophobicContact CG2-CD1 3.84Å; I268-F328 HydrophobicContact CG2-CE1 4.18Å; M277-F328 HydrophobicContact SD-CE1 3.69Å; M277-F328 HydrophobicContact SD-CZ 4.34Å; I299-F328 HydrophobicContact CD1-CD1 4.4Å; I299-F328 HydrophobicContact CD1-CE1 4.29Å; I299-F328 HydrophobicContact CD1-CZ 4.35Å; I299-F328 HydrophobicContact CG2-CB 3.54Å; I299-F328 HydrophobicContact CG2-CD1 4.3Å; I299-F328 HydrophobicContact CG2-CD2 3.71Å; I299-F328 HydrophobicContact CG2-CE2 4.5Å; I299-F328 HydrophobicContact CG2-CG 3.58Å; G302-F328 WeakPolarHBondContact CA-O 3.37Å; G302-F328 PolarHBondContact N-O 2.71Å; D303-F328 PolarHBondContact O-N 3.02Å; R305-F328 HydrophobicContact CB-CE2 3.74Å; R305-F328 HydrophobicContact CG-CD2 4.27Å; R305-F328 HydrophobicContact CG-CE2 3.54Å; R305-F328 HydrophobicContact CG-CZ 4.43Å; I326-F328 HydrophobicContact CB-CE2 4.23Å; I326-F328 HydrophobicContact CB-CZ 4.34Å; I326-F328 HydrophobicContact CG2-CD1 4.38Å; I326-F328 HydrophobicContact CG2-CD2 4.31Å; I326-F328 HydrophobicContact CG2-CE1 3.95Å; I326-F328 HydrophobicContact CG2-CE2 3.85Å; I326-F328 HydrophobicContact CG2-CZ 3.67Å
329V96.7Very high92.8Very high43 Ų4362.5 Ų62.526%0.26134%0.344SS..EExtended strand (participates in β ladder)trans-103.998.1174.2-177.40000108K265 V266 A267 I268 Q331K265-V329 HydrophobicContact CB-CG2 4.47Å; V266-V329 PolarHBondContact O-N 3.4Å; A267-V329 VanDerWaalsContact CA-O 3.3Å; A267-V329 WeakPolarHBondContact CA-O 2.92Å; I268-V329 PolarHBondContact N-O 3.03Å; V329-Q331 PolarHBondContact O-N 3.03Å
330V96.2Very high92.6Very high8 Ų861.4 Ų61.45%0.04834%0.339CS..EExtended strand (participates in β ladder)trans-72.5120.8178.1-176.50000109.7I268 L270 A273 H301 F332I268-V330 HydrophobicContact CD1-CG2 4.12Å; I268-V330 HydrophobicContact CG1-CG2 4.04Å; I268-V330 CarbonylContact O-C 3.58Å; I268-V330 WeakPolarHBondContact O-CA 3.09Å; L270-V330 HydrophobicContact CB-CG1 4.3Å; L270-V330 HydrophobicContact CD1-CG1 4.08Å; A273-V330 HydrophobicContact CB-CG1 4.14Å; A273-V330 HydrophobicContact CB-CG2 3.96Å; H301-V330 HydrophobicContact CB-CB 4.11Å; H301-V330 HydrophobicContact CB-CG2 4.2Å; H301-V330 PolarHBondContact ND1-N 2.84Å; H301-V330 PolarHBondContact ND1-O 2.87Å; V330-F332 HydrophobicContact CG1-CE2 4.39Å
331Q95.1Very high92.4Very high90 Ų9063.5 Ų63.542%0.42135%0.349SS..EExtended strand (participates in β ladder)trans-91.8118.2174.1-65.2-171.2-7.600109.6A267 I268 M269 L270 V329A267-Q331 HydrophobicContact CB-CG 4.35Å; I268-Q331 PolarHBondContact O-N 3.47Å; M269-Q331 HydrophobicContact CE-CB 4.35Å; M269-Q331 HydrophobicContact SD-CB 4.23Å; L270-Q331 PolarHBondContact N-O 2.95Å; L270-Q331 VanDerWaalsContact N-O 3.13Å; V329-Q331 PolarHBondContact O-N 3.03Å
332F92.5Very high92.1Very high141 Ų14164.7 Ų64.762%0.61836%0.356SS*.PPolyproline II helixtrans-79.2151.5172.6-74.9-93.4000110.6L270 V330L270-F332 HydrophobicContact CD1-CE1 4.04Å; L270-F332 HydrophobicContact CD1-CZ 4.4Å; L270-F332 HydrophobicContact CD2-CD1 3.95Å; L270-F332 HydrophobicContact CD2-CE1 4.02Å; V330-F332 HydrophobicContact CG1-CE2 4.39Å
333P90.3Very high91.7Very high60 Ų6068.8 Ų68.839%0.3938%0.376SS..PPolyproline II helixtrans-56.7146.6174.723.1-32.7000111.1L338P333-L338 HydrophobicContact CG-CD1 4.12Å
334P89.5Confident91.3Very high99 Ų9969.3 Ų69.364%0.64339%0.387SS*.PPolyproline II helixtrans-62.2155.1-179.620.1-24.3000111.3N336 S337P334-N336 PolarHBondContact O-N 3.46Å; P334-S337 VanDerWaalsContact O-CB 3.28Å; P334-S337 WeakPolarHBondContact O-CB 3.38Å; P334-S337 PolarHBondContact O-N 3.13Å; P334-S337 VanDerWaalsContact O-N 3.15Å; P334-S337 PolarHBondContact O-OG 2.92Å; P334-S337 VanDerWaalsContact O-OG 3.05Å
335A83.7Confident91Very high56 Ų5675.9 Ų75.946%0.46342%0.415SS..THydrogen-bonded Turntrans-58.9135.3-177.300000111.5S337A335-S337 PolarHBondContact O-N 3.35Å
336N82.8Confident90.5Very high168 Ų16878.1 Ų78.190%0.89843%0.427SS*.THydrogen-bonded Turntrans6219.3-178.8-50.6-28.7000114.9P334 L338P334-N336 PolarHBondContact O-N 3.46Å; N336-L338 VanDerWaalsContact C-N 3.33Å
337S87.2Confident90Very high62 Ų6282.8 Ų82.843%0.43445%0.449SS..  trans-77.2-20.4176.573.80000113.8P334 A335P334-S337 VanDerWaalsContact O-CB 3.28Å; P334-S337 WeakPolarHBondContact O-CB 3.38Å; P334-S337 PolarHBondContact O-N 3.13Å; P334-S337 VanDerWaalsContact O-N 3.15Å; P334-S337 PolarHBondContact O-OG 2.92Å; P334-S337 VanDerWaalsContact O-OG 3.05Å; A335-S337 PolarHBondContact O-N 3.35Å
338L86.2Confident89.7Confident64 Ų6486.7 Ų86.734%0.33548%0.475SS..SBendtrans-100.7135.8-176.8-63.9172.3000110.6P333 N336 E342 L343 L346P333-L338 HydrophobicContact CG-CD1 4.12Å; N336-L338 VanDerWaalsContact C-N 3.33Å; L338-E342 WeakPolarHBondContact CA-OE2 3.3Å; L338-L343 HydrophobicContact CB-CD2 4.03Å; L338-L343 HydrophobicContact CB-CG 4.22Å; L338-L343 HydrophobicContact CD1-CD2 3.91Å; L338-L346 HydrophobicContact CD1-CD1 3.88Å
339L89.1Confident89.3Confident107 Ų10793.1 Ų93.156%0.5651%0.509SS*.  trans-74.4152.3175.5-70.3159.2000110.7Q341 E342 L343L339-Q341 PolarHBondContact O-N 2.66Å; L339-Q341 VanDerWaalsContact O-N 3.12Å; L339-E342 HydrophobicContact CB-CG 4.15Å; L339-E342 PolarHBondContact N-OE2 2.96Å; L339-E342 WeakPolarHBondContact O-CB 3.42Å; L339-E342 PolarHBondContact O-N 2.9Å; L339-L343 PolarHBondContact O-N 2.87Å; L339-L343 VanDerWaalsContact O-N 3.1Å
340P88.2Confident88.8Confident104 Ų10495.5 Ų95.568%0.67552%0.52SS*.Hα-helixtrans-55-34.4178.1-27.134.8000114.1E342 L343 A344P340-E342 VanDerWaalsContact C-N 3.34Å; P340-L343 PolarHBondContact O-N 3.3Å; P340-A344 PolarHBondContact O-N 2.94Å; P340-A344 VanDerWaalsContact O-N 3.14Å
341Q90.5Very high88.4Confident158 Ų158100.4 Ų100.474%0.73855%0.552SS**Hα-helixtrans-67.7-32.7176.9-64.1-178.91.500112.8L339 K345L339-Q341 PolarHBondContact O-N 2.66Å; L339-Q341 VanDerWaalsContact O-N 3.12Å; Q341-K345 PolarHBondContact O-N 3.28Å
342E89.1Confident87.9Confident79 Ų79101.8 Ų101.837%0.36957%0.569SS.*Hα-helixtrans-75.1-37.5177.4-61.9170.7157.200110.7L338 L339 P340 A344 K345 L346L338-E342 WeakPolarHBondContact CA-OE2 3.3Å; L339-E342 HydrophobicContact CB-CG 4.15Å; L339-E342 PolarHBondContact N-OE2 2.96Å; L339-E342 WeakPolarHBondContact O-CB 3.42Å; L339-E342 PolarHBondContact O-N 2.9Å; P340-E342 VanDerWaalsContact C-N 3.34Å; E342-A344 VanDerWaalsContact C-N 3.33Å; E342-A344 PolarHBondContact O-N 3.48Å; E342-K345 PolarHBondContact O-N 3.12Å; E342-L346 PolarHBondContact O-N 2.92Å
343L86.9Confident87.5Confident88 Ų88102 Ų10246%0.46157%0.57SS.*Hα-helixtrans-61-41.2173.8-67.3173.9000111.9L338 L339 P340 K345 L346 E347L338-L343 HydrophobicContact CB-CD2 4.03Å; L338-L343 HydrophobicContact CB-CG 4.22Å; L338-L343 HydrophobicContact CD1-CD2 3.91Å; L339-L343 PolarHBondContact O-N 2.87Å; L339-L343 VanDerWaalsContact O-N 3.1Å; P340-L343 PolarHBondContact O-N 3.3Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.25Å; L343-L346 HydrophobicContact CD2-CD1 4.47Å; L343-L346 PolarHBondContact O-N 3.08Å; L343-E347 PolarHBondContact O-N 3.24Å
344A87.9Confident87.4Confident55 Ų55107.2 Ų107.246%0.45559%0.593SS.*Hα-helixtrans-62-37.5175.800000112.4P340 E342 E347 T348P340-A344 PolarHBondContact O-N 2.94Å; P340-A344 VanDerWaalsContact O-N 3.14Å; E342-A344 VanDerWaalsContact C-N 3.33Å; E342-A344 PolarHBondContact O-N 3.48Å; A344-E347 PolarHBondContact O-N 3.14Å; A344-T348 PolarHBondContact O-N 2.9Å
345K90.9Very high87.1Confident141 Ų141111.5 Ų111.561%0.61360%0.604SS**Hα-helixtrans-69.6-33.8174.2-67.5176.4-176.5177.10112.6Q341 E342 L343 T348 L349Q341-K345 PolarHBondContact O-N 3.28Å; E342-K345 PolarHBondContact O-N 3.12Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.25Å; K345-T348 PolarHBondContact O-OG1 3.46Å; K345-L349 WeakPolarHBondContact O-CG 3.46Å
346L88Confident87.2Confident73 Ų73117 Ų11738%0.38262%0.618SS.*Hα-helixtrans-68.4-38174.6-73.5169.9000111.3L338 E342 L343 T348 L349 L350L338-L346 HydrophobicContact CD1-CD1 3.88Å; E342-L346 PolarHBondContact O-N 2.92Å; L343-L346 HydrophobicContact CD2-CD1 4.47Å; L343-L346 PolarHBondContact O-N 3.08Å; L346-T348 VanDerWaalsContact C-N 3.27Å; L346-T348 PolarHBondContact O-N 2.79Å; L346-L349 PolarHBondContact O-N 2.87Å; L346-L349 VanDerWaalsContact O-N 3.14Å; L346-L350 WeakPolarHBondContact O-CB 3.33Å; L346-L350 WeakPolarHBondContact O-CG 3.37Å; L346-L350 PolarHBondContact O-N 2.88Å
347E86.5Confident87.4Confident102 Ų102114.6 Ų114.648%0.47761%0.61SS.*Hα-helixtrans-64.7-28.9178.4-174.3158.8-162.600113.1L343 A344 K353L343-E347 PolarHBondContact O-N 3.24Å; A344-E347 PolarHBondContact O-N 3.14Å; E347-K353 WeakPolarHBondContact OE1-CD 3.37Å; E347-K353 VanDerWaalsContact OE1-CE 3.26Å; E347-K353 WeakPolarHBondContact OE1-CE 3.28Å; E347-K353 IonicContact OE1-NZ 2.81Å; E347-K353 PolarHBondContact OE1-NZ 3.23Å; E347-K353 IonicContact OE2-NZ 3.49Å; E347-K353 PolarHBondContact OE2-NZ 3.31Å
348T90.4Very high87.4Confident116 Ų116115.3 Ų115.371%0.71261%0.613SS**Hα-helixtrans-78.5-20.3174.258.10000113.9A344 K345 L346A344-T348 PolarHBondContact O-N 2.9Å; K345-T348 PolarHBondContact O-OG1 3.46Å; L346-T348 VanDerWaalsContact C-N 3.27Å; L346-T348 PolarHBondContact O-N 2.79Å
349L86.8Confident87.6Confident142 Ų142116.7 Ų116.774%0.74363%0.626SS**Hα-helixtrans-95.6-22.7-178-66.5173.8000113.3K345 L346K345-L349 WeakPolarHBondContact O-CG 3.46Å; L346-L349 PolarHBondContact O-N 2.87Å; L346-L349 VanDerWaalsContact O-N 3.14Å
350L87.5Confident87.6Confident92 Ų92117 Ų11748%0.48264%0.644SS.*SBendtrans-97.5162.1-177.8-67.1175.7000111.7L346L346-L350 WeakPolarHBondContact O-CB 3.33Å; L346-L350 WeakPolarHBondContact O-CG 3.37Å; L346-L350 PolarHBondContact O-N 2.88Å
351P86.4Confident87.6Confident112 Ų112116 Ų11673%0.72765%0.651SS**PPolyproline II helixtrans-54.1143.1173.9-23.232.5000111.6
352P85Confident87.5Confident118 Ų118111.2 Ų111.277%0.76664%0.639SS**PPolyproline II helixtrans-61.1143.4-177.325.6-34000111L354P352-L354 PolarHBondContact O-N 3.4Å
353K84.8Confident87.4Confident147 Ų147117 Ų11764%0.63966%0.663SS**PPolyproline II helixtrans-59.8135.9172.7-67.1172.6-173149.80109E347 E355E347-K353 WeakPolarHBondContact OE1-CD 3.37Å; E347-K353 VanDerWaalsContact OE1-CE 3.26Å; E347-K353 WeakPolarHBondContact OE1-CE 3.28Å; E347-K353 IonicContact OE1-NZ 2.81Å; E347-K353 PolarHBondContact OE1-NZ 3.23Å; E347-K353 IonicContact OE2-NZ 3.49Å; E347-K353 PolarHBondContact OE2-NZ 3.31Å; K353-E355 PolarHBondContact O-N 3.12Å
354L87.4Confident87.4Confident169 Ų169122.2 Ų122.289%0.88569%0.685SS**PPolyproline II helixtrans-63.7127.7170.6-70.6166.5000108.8P352 F356P352-L354 PolarHBondContact O-N 3.4Å; L354-F356 PolarHBondContact O-N 2.72Å
355E83.7Confident87.4Confident188 Ų188123.5 Ų123.588%0.87970%0.696SS**PPolyproline II helixtrans-61.1122.6175.2-71.8-173.6170.700109.6K353K353-E355 PolarHBondContact O-N 3.12Å
356F86.1Confident87.2Confident171 Ų171122.8 Ų122.875%0.7570%0.703SS**  trans-99.9112176.3175.3-106.7000109.3L354 P358L354-F356 PolarHBondContact O-N 2.72Å; F356-P358 HydrophobicContact CE1-CB 3.84Å; F356-P358 HydrophobicContact CE1-CG 4.33Å; F356-P358 HydrophobicContact CZ-CB 4.05Å
357V87.5Confident86.9Confident119 Ų119127.4 Ų127.472%0.72173%0.727SS**  trans-103109.8170.2-176.50000108
358P86.9Confident86.8Confident76 Ų76129.5 Ų129.549%0.49474%0.741SS.*PPolyproline II helixtrans-65.7135.5178.225.3-31.6000110.2F356 A362F356-P358 HydrophobicContact CE1-CB 3.84Å; F356-P358 HydrophobicContact CE1-CG 4.33Å; F356-P358 HydrophobicContact CZ-CB 4.05Å; P358-A362 HydrophobicContact CB-CB 4.34Å
359P89.9Confident86.1Confident94 Ų94133.7 Ų133.761%0.6174%0.744SS**PPolyproline II helixtrans-65.1151.6175.724.3-30000111.3G361 A362P359-G361 PolarHBondContact O-N 2.79Å; P359-A362 HydrophobicContact CG-CB 4.2Å; P359-A362 VanDerWaalsContact O-CB 3.28Å; P359-A362 WeakPolarHBondContact O-CB 3.47Å; P359-A362 PolarHBondContact O-N 3.21Å
360A88.8Confident85.7Confident114 Ų114131.8 Ų131.894%0.94274%0.738SS**THydrogen-bonded Turntrans-57.3125.918000000111.1
361G89.4Confident84.8Confident81 Ų81132.9 Ų132.984%0.83574%0.744SS**THydrogen-bonded Turntrans901.8-177.600000115.7P359 K363P359-G361 PolarHBondContact O-N 2.79Å; G361-K363 PolarHBondContact O-N 3.11Å
362A88.2Confident83.8Confident59 Ų59133.6 Ų133.649%0.48874%0.742SS.*PPolyproline II helixtrans-65.1128.6173.900000111.7P358 P359P358-A362 HydrophobicContact CB-CB 4.34Å; P359-A362 HydrophobicContact CG-CB 4.2Å; P359-A362 VanDerWaalsContact O-CB 3.28Å; P359-A362 WeakPolarHBondContact O-CB 3.47Å; P359-A362 PolarHBondContact O-N 3.21Å
363K87.4Confident82.6Confident199 Ų199138.2 Ų138.287%0.86574%0.744SS**PPolyproline II helixtrans-87.3133.9172.8-66.9-176.1-179.9178.90109.9G361 A365G361-K363 PolarHBondContact O-N 3.11Å; K363-A365 PolarHBondContact O-N 2.85Å
364E86.1Confident81.1Confident199 Ų199136.8 Ų136.893%0.9374%0.743SS**PPolyproline II helixtrans-67.6130.5173.7-167.6173.8-17500110.3
365A87.2Confident79.6Confident81 Ų81134.9 Ų134.967%0.66973%0.73SS**  trans-114.7129.4-179.400000110.1K363 L367K363-A365 PolarHBondContact O-N 2.85Å; A365-L367 PolarHBondContact O-N 2.92Å
366V86.7Confident78.2Confident127 Ų127133.2 Ų133.277%0.7772%0.722SS**  trans-81.5118.9174.4-1790000109.2L368V366-L368 HydrophobicContact CG1-CD2 4.25Å; V366-L368 PolarHBondContact O-N 3.01Å
367L82.4Confident76.6Confident170 Ų170132.9 Ų132.989%0.8972%0.72SS**  trans-80.5113175.4-66.2174000110.1A365A365-L367 PolarHBondContact O-N 2.92Å
368L83.8Confident74.9Confident146 Ų146134 Ų13476%0.76472%0.719SS**  trans-95.4141.9173.7-62174.4000110.4V366 V370V366-L368 HydrophobicContact CG1-CD2 4.25Å; V366-L368 PolarHBondContact O-N 3.01Å; L368-V370 PolarHBondContact O-N 3.31Å
369R76.6Confident73.1Confident204 Ų204132.9 Ų132.977%0.7772%0.722SS**  trans-66.3124.9169-78.9-174.5177.1170.31.8109.6N371R369-N371 PolarHBondContact O-N 3.03Å; R369-N371 VanDerWaalsContact O-N 3.14Å
370V78.2Confident71.2Confident101 Ų101138.5 Ų138.561%0.61273%0.731SS**  trans-72.5108.5173.6-176.60000108.5L368 N372 Q375L368-V370 PolarHBondContact O-N 3.31Å; V370-N372 PolarHBondContact O-N 2.81Å; V370-Q375 HydrophobicContact CG1-CG 4.43Å
371N68.1Low69.2Low115 Ų115136.4 Ų136.462%0.61571%0.709SS**  trans-75113.9168.5-75.9-19.3000108.6R369 R373 N374R369-N371 PolarHBondContact O-N 3.03Å; R369-N371 VanDerWaalsContact O-N 3.14Å; N371-R373 PolarHBondContact O-N 3.11Å; N371-N374 PolarHBondContact O-N 3.42Å
372N64.8Low67Low128 Ų128143.4 Ų143.468%0.68471%0.711SS**Hα-helixtrans-51.6-19.6179.8-87.5-7.5000114.6V370 N374V370-N372 PolarHBondContact O-N 2.81Å; N372-N374 VanDerWaalsContact C-N 3.31Å; N372-N374 PolarHBondContact O-N 3.47Å
373R59.8Low64.9Low215 Ų215145.7 Ų145.781%0.81172%0.723SS**Hα-helixtrans-63.6-28173.7-90.2-177.6162.8176.9-4.3114.6N371N371-R373 PolarHBondContact O-N 3.11Å
374N54.5Low62.9Low117 Ų117140.1 Ų140.163%0.62671%0.714SS**Hα-helixtrans-84.2-24.6-178.2-79.8-4.3000113.5N371 N372 K377 M378N371-N374 PolarHBondContact O-N 3.42Å; N372-N374 VanDerWaalsContact C-N 3.31Å; N372-N374 PolarHBondContact O-N 3.47Å; N374-K377 PolarHBondContact O-N 3.4Å; N374-M378 PolarHBondContact O-N 2.94Å
375Q55.5Low60.8Low128 Ų128138 Ų13860%0.59871%0.709SS**Hα-helixtrans-72.5-31.9176.9-79-174.8-200112.9V370 K377 M378 G379V370-Q375 HydrophobicContact CG1-CG 4.43Å; Q375-K377 PolarHBondContact O-N 2.83Å; Q375-M378 PolarHBondContact O-N 2.85Å; Q375-G379 PolarHBondContact O-N 3.19Å; Q375-G379 VanDerWaalsContact O-N 3.13Å
376Q53.9Low58.6Low153 Ų153139.2 Ų139.272%0.71571%0.713SS**Hα-helixtrans-66.5-23.4175.1-76.5-176.8-13.900113.6
377K53.8Low56.3Low165 Ų165141.1 Ų141.172%0.71772%0.718SS**Hα-helixtrans-82.8-38.3174.6-76.6-171175.2-174.50112.8N374 Q375 G379 R380 S381N374-K377 PolarHBondContact O-N 3.4Å; Q375-K377 PolarHBondContact O-N 2.83Å; K377-G379 VanDerWaalsContact C-N 3.34Å; K377-G379 PolarHBondContact O-N 3.4Å; K377-R380 PolarHBondContact O-N 3.49Å; K377-S381 PolarHBondContact O-N 2.94Å
378M51.3Low54Low142 Ų142142.2 Ų142.270%0.772%0.719SS**Hα-helixtrans-71.7-25.3178-84.7-68.9-169.300113.7N374 Q375 R380N374-M378 PolarHBondContact O-N 2.94Å; Q375-M378 PolarHBondContact O-N 2.85Å; M378-R380 VanDerWaalsContact C-N 3.33Å
379G49.4Very low51.7Low53 Ų53144.3 Ų144.355%0.54673%0.725SS.*THydrogen-bonded Turntrans-76-17.117300000114.6Q375 K377Q375-G379 PolarHBondContact O-N 3.19Å; Q375-G379 VanDerWaalsContact O-N 3.13Å; K377-G379 VanDerWaalsContact C-N 3.34Å; K377-G379 PolarHBondContact O-N 3.4Å
380R48.8Very low49.7Very low211 Ų211143 Ų14380%0.79673%0.728SS**THydrogen-bonded Turntrans-96.5-20.7-179.5-88.4-177.1154.5-174.6-6.4114.4K377 M378K377-R380 PolarHBondContact O-N 3.49Å; M378-R380 VanDerWaalsContact C-N 3.33Å
381S47Very low47.7Very low71 Ų71146.3 Ų146.350%0.49774%0.738SS.*G310 helixtrans-84.1-11-179.880.10000114.1K377 S383K377-S381 PolarHBondContact O-N 2.94Å; S381-S383 VanDerWaalsContact C-N 3.31Å
382R44.3Very low46.1Very low228 Ų228148.2 Ų148.286%0.8675%0.749SS**G310 helixtrans-87.13.7175.8-81.7-175.5169.5173.5-2.9114.3
383S44.3Very low44.8Very low107 Ų107147.7 Ų147.775%0.74876%0.755SS**G310 helixtrans-113.813.8-179.5-44.10000112.8S381S381-S383 VanDerWaalsContact C-N 3.31Å
384A43.7Very low43.8Very low82 Ų82140.9 Ų140.968%0.67875%0.752SS**SBendtrans-132.717.5-173.400000114.3
385D42.8Very low43.1Very low154 Ų154141.5 Ų141.582%0.82476%0.763SS**SBendtrans-130.834.5-177.5-116.5-3.9000112
386S40.1Very low42.1Very low107 Ų107147 Ų14775%0.74878%0.778SS**SBendtrans-146.964.7174.5-59.30000108.8
387D39Very low41.4Very low166 Ų166146.5 Ų146.589%0.88879%0.785SS**  trans-170.655.9162.7-84.4-27.8000108.9
388E35.2Very low40.8Very low193 Ų193147.3 Ų147.390%0.90279%0.794SS**  trans-133.370.7163.1-75.2-161.8179.500108.8
389E34Very low40.2Very low190 Ų190150 Ų15089%0.88881%0.805SS**SBendtrans-166.2128150.5-106.2166.3-148.900108.6
390E34.3Very low40Very low178 Ų178153.5 Ų153.583%0.83282%0.819SS**  trans95130.1171.7-53.8-167.8149.800119.6
391M36.3Very low39.9Very low169 Ų169152.4 Ų152.483%0.83382%0.823SS**  trans95.965.1163.4-47-153.1-161.200118.2
392N34.8Very low40.5Very low155 Ų155155 Ų15583%0.82984%0.838SS**  -15.5138.6125.2-163.614.3000115.8
393S38Very low40.8Very low117 Ų117157 Ų15782%0.81886%0.857SS**  trans94.1102.8160.176.70000120.2
394G37.8Very low40.6Very low73 Ų73159.5 Ų159.575%0.75386%0.863SS**  trans170.7137.715900000113.1
395P41Very low40.4Very low130 Ų130163.5 Ų163.584%0.84487%0.872SS**  trans-101.2158.3-131.936.5-33.7000117.4
396R34.8Very low40.3Very low244 Ų244164.1 Ų164.192%0.92188%0.875SS**  trans-48.2124.5175.7-65.7174.6169.8-168.2-4.6114
397T39.4Very low40.3Very low141 Ų141167.4 Ų167.487%0.86588%0.882SS**  trans-92.5114.9157.5460000109.9
398M41.1Very low40.4Very low182 Ų182167.5 Ų167.590%0.89788%0.882SS**PPolyproline II helixtrans-71.9128.3169.3-76.9-174.1162.300110.5
399Q39.1Very low40.8Very low199 Ų199165.8 Ų165.893%0.9388%0.881SS**PPolyproline II helixtrans-101.1117.8162.4-105.3176-6.500108.5
400C45.1Very low41.2Very low126 Ų126164.1 Ų164.185%0.85188%0.88SS**PPolyproline II helixtrans-80130.5168.7-65.60000109.8
401Q45.5Very low41.8Very low189 Ų189163 Ų16388%0.88388%0.884SS**PPolyproline II helixtrans-93.1145.8162.1-100.5-179.7-8.900109.6
402P60Low42.2Very low125 Ų125162.5 Ų162.581%0.81289%0.888SS**PPolyproline II helixtrans-84.6144.6177.533.8-30.9000111.6
403Q50.3Low42.9Very low269 Ų269163.2 Ų163.2100%1.25789%0.894SS**  trans-86.20156.6-79.1-175.8-8.800110.2

Retrieved 403 of 403 residues in 283.5 ms (Link to these results)

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