A0A077ZKT5_TRITR Loading...

Reverse transcriptase

AlphaFold DB , UniProt , Accession A0A077ZKT5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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
1M80.2Confident88.9Confident197 Ų19790.1 Ų90.197%0.9742%0.417SS*.  0-54.80-158.6-176.1-67.600112.9R3 Q4 R5M1-R3 PolarHBondContact O-N 2.77Å; M1-Q4 PolarHBondContact O-N 3.42Å; M1-R5 PolarHBondContact O-N 3.36Å
2V84.2Confident88.8Confident73 Ų7384 Ų8444%0.44239%0.389SS..Hα-helixtrans-53-50.2-178.6178.90000112.7Q4 R5 V6 F35V2-Q4 PolarHBondContact O-N 3.39Å; V2-R5 PolarHBondContact O-N 2.9Å; V2-R5 VanDerWaalsContact O-N 3.09Å; V2-V6 HydrophobicContact CG1-CG2 4.22Å; V2-V6 WeakPolarHBondContact O-CG2 3.17Å; V2-V6 PolarHBondContact O-N 2.93Å; V2-F35 HydrophobicContact CG1-CD1 4.06Å; V2-F35 HydrophobicContact CG1-CE1 4.36Å
3R87.4Confident88.4Confident60 Ų6084.2 Ų84.223%0.22640%0.403CS..Hα-helixtrans-52.4-49.9178.1168.5168.4166.1-172.411.6113.7M1 R5 V6 E7 S15 L17 D19 I22M1-R3 PolarHBondContact O-N 2.77Å; R3-R5 VanDerWaalsContact C-N 3.28Å; R3-R5 PolarHBondContact O-N 3Å; R3-V6 WeakPolarHBondContact O-CB 3.27Å; R3-V6 PolarHBondContact O-N 3.24Å; R3-E7 HydrophobicContact CG-CG 4.36Å; R3-E7 IonicContact CZ-OE1 3.12Å; R3-E7 IonicContact NE-OE1 2.78Å; R3-E7 PolarHBondContact NE-OE1 3.05Å; R3-E7 VanDerWaalsContact NE-OE1 3.09Å; R3-E7 IonicContact NH2-OE1 3.91Å; R3-E7 WeakPolarHBondContact O-CG 3.36Å; R3-E7 PolarHBondContact O-N 3.27Å; R3-S15 PolarHBondContact NH2-O 3.16Å; R3-L17 PolarHBondContact NE-O 2.94Å; R3-L17 PolarHBondContact NH2-O 2.98Å; R3-D19 WeakPolarHBondContact CB-OD1 3.43Å; R3-D19 WeakPolarHBondContact CD-OD1 3.36Å; R3-D19 IonicContact CZ-OD2 3.82Å; R3-D19 IonicContact NH1-OD1 2.73Å; R3-D19 IonicContact NH1-OD2 3.95Å; R3-D19 PolarHBondContact NH1-OD2 2.78Å; R3-I22 HydrophobicContact CB-CD1 3.6Å; R3-I22 HydrophobicContact CG-CD1 3.72Å
4Q88.8Confident87.9Confident93 Ų9383.4 Ų83.444%0.43541%0.406SS..Hα-helixtrans-63.8-35.2-179.5-66.3173.7-26.400111.8M1 V2 E7 R8 V14M1-Q4 PolarHBondContact O-N 3.42Å; V2-Q4 PolarHBondContact O-N 3.39Å; Q4-E7 PolarHBondContact O-N 3.4Å; Q4-R8 WeakPolarHBondContact O-CG 3.22Å; Q4-R8 PolarHBondContact O-N 2.87Å; Q4-V14 HydrophobicContact CG-CG1 4.17Å
5R90.5Very high87.5Confident165 Ų16582.7 Ų82.762%0.62341%0.413SS*.Hα-helixtrans-68.5-42.5175.5-167.466.6178.3-1783.8111.4M1 V2 R3 R8 V9M1-R5 PolarHBondContact O-N 3.36Å; V2-R5 PolarHBondContact O-N 2.9Å; V2-R5 VanDerWaalsContact O-N 3.09Å; R3-R5 VanDerWaalsContact C-N 3.28Å; R3-R5 PolarHBondContact O-N 3Å; R5-R8 PolarHBondContact O-N 2.89Å; R5-V9 WeakPolarHBondContact O-CG2 3.38Å; R5-V9 PolarHBondContact O-N 3.38Å; R5-V9 VanDerWaalsContact O-N 3.08Å
6V90.4Very high87.3Confident11 Ų1178 Ų787%0.06739%0.39CS..Hα-helixtrans-59.6-46.8173.3172.60000110.6V2 R3 R8 V9 L10 L17 L33 F35V2-V6 HydrophobicContact CG1-CG2 4.22Å; V2-V6 WeakPolarHBondContact O-CG2 3.17Å; V2-V6 PolarHBondContact O-N 2.93Å; R3-V6 WeakPolarHBondContact O-CB 3.27Å; R3-V6 PolarHBondContact O-N 3.24Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 2.64Å; V6-V9 PolarHBondContact O-N 3.45Å; V6-L10 HydrophobicContact CG1-CD1 3.77Å; V6-L10 HydrophobicContact CG1-CG 4.26Å; V6-L10 WeakPolarHBondContact O-CB 3.16Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.5Å; V6-L17 HydrophobicContact CG1-CD2 4.15Å; V6-L33 HydrophobicContact CG1-CD1 3.65Å; V6-F35 HydrophobicContact CG2-CE1 4.03Å; V6-F35 HydrophobicContact CG2-CE2 3.9Å; V6-F35 HydrophobicContact CG2-CZ 3.63Å
7E91.7Very high87.3Confident1 Ų173.5 Ų73.51%0.00537%0.367CS..Hα-helixtrans-58.9-41.8177.5-72.8170.1162.200112.1R3 Q4 L10 H11 L12 V14 S15 T16 L17R3-E7 HydrophobicContact CG-CG 4.36Å; R3-E7 IonicContact CZ-OE1 3.12Å; R3-E7 IonicContact NE-OE1 2.78Å; R3-E7 PolarHBondContact NE-OE1 3.05Å; R3-E7 VanDerWaalsContact NE-OE1 3.09Å; R3-E7 IonicContact NH2-OE1 3.91Å; R3-E7 WeakPolarHBondContact O-CG 3.36Å; R3-E7 PolarHBondContact O-N 3.27Å; Q4-E7 PolarHBondContact O-N 3.4Å; E7-L10 CarbonylContact O-C 3.33Å; E7-L10 PolarHBondContact O-N 3.38Å; E7-H11 PolarHBondContact O-N 3.37Å; E7-H11 VanDerWaalsContact O-N 3.1Å; E7-L12 HydrophobicContact CB-CB 4.18Å; E7-L12 HydrophobicContact CG-CB 4.43Å; E7-L12 PolarHBondContact O-N 2.84Å; E7-V14 WeakPolarHBondContact OE2-CA 3.5Å; E7-S15 VanDerWaalsContact CD-N 3.3Å; E7-S15 VanDerWaalsContact OE1-CA 3.3Å; E7-S15 WeakPolarHBondContact OE1-CA 3.44Å; E7-S15 PolarHBondContact OE1-N 3.35Å; E7-S15 PolarHBondContact OE2-N 2.97Å; E7-T16 PolarHBondContact OE1-N 3.12Å; E7-L17 HydrophobicContact CG-CB 4.04Å; E7-L17 PolarHBondContact OE1-N 2.86Å
8R92.7Very high87.4Confident153 Ų15370.2 Ų70.258%0.57735%0.352SS*.Hα-helixtrans-62.2-44.8175.2-73.2179.3-167.3177.15.9112.5Q4 R5 V6 L10 H11Q4-R8 WeakPolarHBondContact O-CG 3.22Å; Q4-R8 PolarHBondContact O-N 2.87Å; R5-R8 PolarHBondContact O-N 2.89Å; V6-R8 VanDerWaalsContact C-N 3.33Å; V6-R8 PolarHBondContact O-N 2.64Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.87Å; R8-H11 PolarHBondContact O-N 3.22Å; R8-H11 VanDerWaalsContact O-N 3.14Å
9V90.8Very high87.4Confident90 Ų9070.4 Ų70.455%0.54535%0.354SS..Hα-helixtrans-62.8-37.8176.8172.30000111.2R5 V6 H11 I138R5-V9 WeakPolarHBondContact O-CG2 3.38Å; R5-V9 PolarHBondContact O-N 3.38Å; R5-V9 VanDerWaalsContact O-N 3.08Å; V6-V9 PolarHBondContact O-N 3.45Å; V9-H11 PolarHBondContact O-N 3.04Å; V9-I138 WeakPolarHBondContact O-CD1 3.28Å
10L90.4Very high87.6Confident11 Ų1168.7 Ų68.76%0.05835%0.346CS..THydrogen-bonded Turntrans-81.53.2178.2-62.7-179.5000113.6V6 E7 R8 L12 L17 L33 I138 L141 K142V6-L10 HydrophobicContact CG1-CD1 3.77Å; V6-L10 HydrophobicContact CG1-CG 4.26Å; V6-L10 WeakPolarHBondContact O-CB 3.16Å; V6-L10 VanDerWaalsContact O-CG 3.31Å; V6-L10 WeakPolarHBondContact O-CG 3.46Å; V6-L10 PolarHBondContact O-N 3.5Å; E7-L10 CarbonylContact O-C 3.33Å; E7-L10 PolarHBondContact O-N 3.38Å; R8-L10 VanDerWaalsContact C-N 3.28Å; R8-L10 PolarHBondContact O-N 2.87Å; L10-L12 HydrophobicContact CB-CD1 3.71Å; L10-L12 HydrophobicContact CB-CG 3.79Å; L10-L12 HydrophobicContact CD1-CD1 3.9Å; L10-L12 HydrophobicContact CG-CD1 4.48Å; L10-L12 PolarHBondContact O-N 3.16Å; L10-L17 HydrophobicContact CD1-CD2 4.16Å; L10-L33 HydrophobicContact CD1-CD1 4.25Å; L10-I138 HydrophobicContact CD2-CG1 3.98Å; L10-I138 WeakPolarHBondContact O-CG2 3.43Å; L10-L141 HydrophobicContact CD1-CD1 4.19Å; L10-L141 HydrophobicContact CD2-CD1 3.55Å; L10-K142 WeakPolarHBondContact O-CE 3.12Å; L10-K142 PolarHBondContact O-NZ 3.37Å
11H90.8Very high87.7Confident137 Ų13765.5 Ų65.563%0.63433%0.33SS*.THydrogen-bonded Turntrans48.948.3-173.4-51.1-64.8000111.9E7 R8 V9 K142E7-H11 PolarHBondContact O-N 3.37Å; E7-H11 VanDerWaalsContact O-N 3.1Å; R8-H11 PolarHBondContact O-N 3.22Å; R8-H11 VanDerWaalsContact O-N 3.14Å; V9-H11 PolarHBondContact O-N 3.04Å; H11-K142 WeakPolarHBondContact O-CE 3.28Å; H11-K142 PolarHBondContact O-NZ 3.03Å
12L87.5Confident88.2Confident17 Ų1756.2 Ų56.29%0.08928%0.284CS..  trans-106.9145.7176.8-67.5174.2000109.6E7 L10 L17 K142 L147E7-L12 HydrophobicContact CB-CB 4.18Å; E7-L12 HydrophobicContact CG-CB 4.43Å; E7-L12 PolarHBondContact O-N 2.84Å; L10-L12 HydrophobicContact CB-CD1 3.71Å; L10-L12 HydrophobicContact CB-CG 3.79Å; L10-L12 HydrophobicContact CD1-CD1 3.9Å; L10-L12 HydrophobicContact CG-CD1 4.48Å; L10-L12 PolarHBondContact O-N 3.16Å; L12-L17 HydrophobicContact CD1-CB 4.34Å; L12-L17 HydrophobicContact CD1-CD1 4.5Å; L12-K142 HydrophobicContact CD2-CD 4.44Å; L12-K142 HydrophobicContact CD2-CG 3.98Å; L12-L147 HydrophobicContact CD1-CD1 3.63Å; L12-L147 HydrophobicContact CD2-CB 3.78Å; L12-L147 HydrophobicContact CD2-CD1 3.78Å; L12-L147 HydrophobicContact CD2-CG 4.29Å; L12-L147 HydrophobicContact CG-CD1 4.34Å
13P83.6Confident88.5Confident87 Ų8755 Ų5557%0.56527%0.274SS*.  trans-60.1148.2170.1-16.328.2000110.5T16P13-T16 HydrophobicContact CB-CG2 3.7Å; P13-T16 HydrophobicContact CG-CG2 4.03Å; P13-T16 WeakPolarHBondContact O-CB 3.3Å; P13-T16 VanDerWaalsContact O-CG2 3.3Å; P13-T16 WeakPolarHBondContact O-CG2 3.1Å; P13-T16 PolarHBondContact O-N 3.15Å; P13-T16 PolarHBondContact O-OG1 3.36Å
14V81.8Confident88.6Confident73 Ų7352.3 Ų52.344%0.44226%0.264SS..THydrogen-bonded Turntrans-56.1142.8179.1-178.80000110.1Q4 E7 T16Q4-V14 HydrophobicContact CG-CG1 4.17Å; E7-V14 WeakPolarHBondContact OE2-CA 3.5Å; V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 PolarHBondContact O-N 3.5Å
15S81.1Confident88.4Confident73 Ų7350.3 Ų50.351%0.5126%0.259SS..THydrogen-bonded Turntrans60.426.6178.370.50000115.3R3 E7R3-S15 PolarHBondContact NH2-O 3.16Å; E7-S15 VanDerWaalsContact CD-N 3.3Å; E7-S15 VanDerWaalsContact OE1-CA 3.3Å; E7-S15 WeakPolarHBondContact OE1-CA 3.44Å; E7-S15 PolarHBondContact OE1-N 3.35Å; E7-S15 PolarHBondContact OE2-N 2.97Å
16T84.8Confident87.7Confident7 Ų747.6 Ų47.64%0.04325%0.252CS..  trans-94.9-29.117857.20000114.5E7 P13 V14 Q111 R153E7-T16 PolarHBondContact OE1-N 3.12Å; P13-T16 HydrophobicContact CB-CG2 3.7Å; P13-T16 HydrophobicContact CG-CG2 4.03Å; P13-T16 WeakPolarHBondContact O-CB 3.3Å; P13-T16 VanDerWaalsContact O-CG2 3.3Å; P13-T16 WeakPolarHBondContact O-CG2 3.1Å; P13-T16 PolarHBondContact O-N 3.15Å; P13-T16 PolarHBondContact O-OG1 3.36Å; V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 PolarHBondContact O-N 3.5Å; T16-Q111 PolarHBondContact O-NE2 3.45Å; T16-R153 PolarHBondContact O-NH2 2.95Å
17L88.1Confident86.6Confident1 Ų155.7 Ų55.71%0.00529%0.286CS..SBendtrans-89.3129.2-177.8-170.866.9000110R3 V6 E7 L10 L12 D19 F21 I22 L33 T145 L147R3-L17 PolarHBondContact NE-O 2.94Å; R3-L17 PolarHBondContact NH2-O 2.98Å; V6-L17 HydrophobicContact CG1-CD2 4.15Å; E7-L17 HydrophobicContact CG-CB 4.04Å; E7-L17 PolarHBondContact OE1-N 2.86Å; L10-L17 HydrophobicContact CD1-CD2 4.16Å; L12-L17 HydrophobicContact CD1-CB 4.34Å; L12-L17 HydrophobicContact CD1-CD1 4.5Å; L17-D19 PolarHBondContact O-N 3.27Å; L17-F21 HydrophobicContact CD1-CB 4.36Å; L17-F21 HydrophobicContact CD1-CD1 3.63Å; L17-F21 HydrophobicContact CD1-CE1 4.24Å; L17-F21 HydrophobicContact CD1-CG 4.2Å; L17-F21 HydrophobicContact CD2-CD1 4.09Å; L17-F21 HydrophobicContact CG-CD1 4.12Å; L17-I22 HydrophobicContact CD2-CD1 4.11Å; L17-I22 HydrophobicContact CD2-CG1 3.64Å; L17-I22 HydrophobicContact CG-CG1 4.29Å; L17-L33 HydrophobicContact CD2-CD1 4.19Å; L17-T145 HydrophobicContact CD1-CG2 4.3Å; L17-L147 HydrophobicContact CB-CD1 4.48Å; L17-L147 HydrophobicContact CD1-CD1 3.69Å
18P87.8Confident85.1Confident15 Ų1563.7 Ų63.710%0.09732%0.321CS..  trans-62.1137.8175.9-23.735.8000111.1D20 F21 F106 Q111P18-D20 PolarHBondContact O-N 2.82Å; P18-F21 PolarHBondContact O-N 3.34Å; P18-F21 VanDerWaalsContact O-N 3.07Å; P18-F106 HydrophobicContact CB-CD2 4.24Å; P18-F106 HydrophobicContact CG-CD2 4.13Å; P18-F106 HydrophobicContact CG-CE2 4.17Å; P18-Q111 HydrophobicContact CG-CB 4.45Å
19D88.8Confident83.8Confident74 Ų7463.6 Ų63.640%0.39633%0.325SS..Hα-helixtrans-57-32.5173.9-75.3-55.6000111.5R3 L17 F21 I22 H23R3-D19 WeakPolarHBondContact CB-OD1 3.43Å; R3-D19 WeakPolarHBondContact CD-OD1 3.36Å; R3-D19 IonicContact CZ-OD2 3.82Å; R3-D19 IonicContact NH1-OD1 2.73Å; R3-D19 IonicContact NH1-OD2 3.95Å; R3-D19 PolarHBondContact NH1-OD2 2.78Å; L17-D19 PolarHBondContact O-N 3.27Å; D19-F21 VanDerWaalsContact C-N 3.32Å; D19-F21 PolarHBondContact O-N 3.4Å; D19-I22 PolarHBondContact O-N 3.49Å; D19-H23 PolarHBondContact O-CD2 3.4Å
20D90.6Very high83Confident36 Ų3662.1 Ų62.119%0.19331%0.311CS..Hα-helixtrans-58.4-42.4176.7-62.8-49.4000112.3P18 I22 H23 L24 R102 K105 F106P18-D20 PolarHBondContact O-N 2.82Å; D20-I22 VanDerWaalsContact C-N 3.35Å; D20-I22 PolarHBondContact O-N 3.48Å; D20-H23 PolarHBondContact O-N 2.8Å; D20-L24 WeakPolarHBondContact O-CG 3.24Å; D20-L24 PolarHBondContact O-N 3.08Å; D20-L24 VanDerWaalsContact O-N 3.1Å; D20-R102 HydrophobicContact CB-CG 3.73Å; D20-R102 WeakPolarHBondContact OD1-CG 3.42Å; D20-R102 IonicContact OD1-NH1 3.24Å; D20-K105 WeakPolarHBondContact OD2-CB 3.39Å; D20-F106 HydrophobicContact CB-CB 3.99Å
21F90.8Very high82.5Confident2 Ų262.1 Ų62.11%0.00931%0.311CS..Hα-helixtrans-65.1-36.9-178.3-177.3-98.3000113.3L17 P18 D19 H23 L24 S31 L33 F106 L141 T145L17-F21 HydrophobicContact CD1-CB 4.36Å; L17-F21 HydrophobicContact CD1-CD1 3.63Å; L17-F21 HydrophobicContact CD1-CE1 4.24Å; L17-F21 HydrophobicContact CD1-CG 4.2Å; L17-F21 HydrophobicContact CD2-CD1 4.09Å; L17-F21 HydrophobicContact CG-CD1 4.12Å; P18-F21 PolarHBondContact O-N 3.34Å; P18-F21 VanDerWaalsContact O-N 3.07Å; D19-F21 VanDerWaalsContact C-N 3.32Å; D19-F21 PolarHBondContact O-N 3.4Å; F21-H23 PolarHBondContact O-N 3.06Å; F21-L24 HydrophobicContact CD2-CD1 4.4Å; F21-L24 PolarHBondContact O-N 2.89Å; F21-S31 WeakPolarHBondContact CE2-O 3.42Å; F21-S31 VanDerWaalsContact CZ-O 3.23Å; F21-S31 WeakPolarHBondContact CZ-O 3.49Å; F21-L33 HydrophobicContact CD1-CD1 4.35Å; F21-L33 HydrophobicContact CD1-CG 4.17Å; F21-L33 HydrophobicContact CE1-CD1 4.24Å; F21-L33 HydrophobicContact CE1-CD2 4.2Å; F21-L33 HydrophobicContact CE1-CG 3.8Å; F21-L33 PolarHBondContact O-N 3.31Å; F21-F106 HydrophobicContact CB-CD2 3.91Å; F21-F106 HydrophobicContact CB-CE2 3.76Å; F21-F106 HydrophobicContact CB-CZ 4.33Å; F21-F106 HydrophobicContact CD2-CD1 4.46Å; F21-F106 HydrophobicContact CD2-CD2 4.39Å; F21-F106 AromaticContact CD2-CE1 3.8Å; F21-F106 HydrophobicContact CD2-CE1 3.8Å; F21-F106 AromaticContact CD2-CE2 3.74Å; F21-F106 HydrophobicContact CD2-CE2 3.74Å; F21-F106 AromaticContact CD2-CZ 3.4Å; F21-F106 HydrophobicContact CD2-CZ 3.4Å; F21-F106 VanDerWaalsContact CD2-CZ 3.4Å; F21-F106 HydrophobicContact CE2-CE1 4.41Å; F21-F106 HydrophobicContact CE2-CZ 4.09Å; F21-F106 HydrophobicContact CG-CE2 4.09Å; F21-F106 HydrophobicContact CG-CZ 4.2Å; F21-L141 HydrophobicContact CE1-CD2 4.21Å; F21-L141 HydrophobicContact CZ-CD2 3.98Å; F21-T145 HydrophobicContact CD1-CG2 4.18Å; F21-T145 HydrophobicContact CD2-CG2 3.97Å; F21-T145 HydrophobicContact CE1-CG2 3.8Å; F21-T145 HydrophobicContact CE2-CG2 3.59Å; F21-T145 HydrophobicContact CG-CG2 4.23Å; F21-T145 HydrophobicContact CZ-CG2 3.49Å; F21-T145 VanDerWaalsContact CZ-CG2 3.49Å
22I90.8Very high82.3Confident1 Ų155.8 Ų55.81%0.00528%0.283CS..Hα-helixtrans-58.7-39.2179.7-69.1172.5000110.7R3 L17 D19 D20 L33 F35R3-I22 HydrophobicContact CB-CD1 3.6Å; R3-I22 HydrophobicContact CG-CD1 3.72Å; L17-I22 HydrophobicContact CD2-CD1 4.11Å; L17-I22 HydrophobicContact CD2-CG1 3.64Å; L17-I22 HydrophobicContact CG-CG1 4.29Å; D19-I22 PolarHBondContact O-N 3.49Å; D20-I22 VanDerWaalsContact C-N 3.35Å; D20-I22 PolarHBondContact O-N 3.48Å; I22-L33 HydrophobicContact CG1-CD1 4.41Å; I22-F35 HydrophobicContact CG2-CB 3.56Å; I22-F35 HydrophobicContact CG2-CD2 3.88Å; I22-F35 HydrophobicContact CG2-CG 3.83Å; I22-F35 WeakPolarHBondContact O-CB 3.43Å; I22-F35 PolarHBondContact O-N 2.82Å
23H90.3Very high82.4Confident48 Ų4856.2 Ų56.222%0.22229%0.286CS..Hα-helixtrans-95.6-6.2-176.1-61.9-61.3000113.9D19 D20 F21 F35 S37 R102D19-H23 PolarHBondContact O-CD2 3.4Å; D20-H23 PolarHBondContact O-N 2.8Å; F21-H23 PolarHBondContact O-N 3.06Å; H23-F35 WeakPolarHBondContact CA-O 3.2Å; H23-F35 PolarHBondContact ND1-O 3.42Å; H23-S37 PolarHBondContact ND1-N 3.28Å; H23-R102 VanDerWaalsContact CB-CZ 3.41Å; H23-R102 VanDerWaalsContact CB-NH1 3.31Å; H23-R102 PolarHBondContact CD2-NH1 3.35Å
24L89.7Confident82.6Confident3 Ų354.8 Ų54.82%0.01628%0.277CS..SBendtrans-63.7144170.8-77.4174.7000109.9D20 F21 G32 L33 S34 E103 F106 Y115D20-L24 WeakPolarHBondContact O-CG 3.24Å; D20-L24 PolarHBondContact O-N 3.08Å; D20-L24 VanDerWaalsContact O-N 3.1Å; F21-L24 HydrophobicContact CD2-CD1 4.4Å; F21-L24 PolarHBondContact O-N 2.89Å; L24-G32 CarbonylContact O-C 3.3Å; L24-G32 VanDerWaalsContact O-C 3.3Å; L24-G32 VanDerWaalsContact O-CA 3.3Å; L24-G32 WeakPolarHBondContact O-CA 3.49Å; L24-L33 PolarHBondContact O-N 3.45Å; L24-S34 WeakPolarHBondContact O-CA 3.48Å; L24-S34 PolarHBondContact O-N 3.25Å; L24-E103 HydrophobicContact CD2-CB 3.9Å; L24-E103 HydrophobicContact CD2-CG 4.39Å; L24-F106 HydrophobicContact CD1-CB 3.97Å; L24-F106 HydrophobicContact CD1-CD1 3.51Å; L24-F106 HydrophobicContact CD1-CE1 4.21Å; L24-F106 HydrophobicContact CD1-CG 3.81Å; L24-Y115 HydrophobicContact CD1-CE1 4.33Å; L24-Y115 HydrophobicContact CD1-CE2 4.04Å
25P82.9Confident82.9Confident52 Ų5255.5 Ų55.534%0.33828%0.275SS..  trans-71.3146.9-178.730.3-35.9000111.9K30 G32P25-K30 HydrophobicContact CG-CB 3.91Å; P25-K30 HydrophobicContact CG-CD 3.47Å; P25-K30 VanDerWaalsContact CG-CD 3.47Å; P25-K30 HydrophobicContact CG-CG 4.2Å; P25-K30 CarbonylContact O-C 3.51Å; P25-K30 WeakPolarHBondContact O-CB 3.47Å; P25-G32 PolarHBondContact O-N 2.77Å
26K77.3Confident83.2Confident108 Ų10857.7 Ų57.747%0.4728%0.28SS..  trans-81.3-24.8171.2-173-178.8178.3-178.20113.2K30 G32 S34K26-K30 CarbonylContact C-O 3.5Å; K26-K30 VanDerWaalsContact C-O 3.27Å; K26-G32 WeakPolarHBondContact CA-O 3.27Å; K26-G32 WeakPolarHBondContact CB-O 3.33Å; K26-S34 WeakPolarHBondContact CB-OG 3.33Å; K26-S34 PolarHBondContact N-OG 2.93Å
27K65.9Low83.3Confident181 Ų18158.4 Ų58.479%0.78729%0.285SS*.SBendtrans-69140.8-167.1-77.7-169177.9-176.70112.7K29 K30K27-K29 PolarHBondContact O-N 3.15Å; K27-K30 PolarHBondContact O-N 2.88Å; K27-K30 VanDerWaalsContact O-N 3.16Å
28K61.4Low83.3Confident169 Ų16964.7 Ų64.774%0.73532%0.318SS*.THydrogen-bonded Turntrans17.2-32.4175.9-70.8-168.1179.6-176.30121D120 W121K28-D120 CarbonylContact O-C 3.27Å; K28-W121 HydrophobicContact CB-CB 4.39Å; K28-W121 WeakPolarHBondContact O-CA 3.43Å; K28-W121 WeakPolarHBondContact O-CB 3.08Å; K28-W121 PolarHBondContact O-N 2.88Å; K28-W121 VanDerWaalsContact O-N 3.08Å
29K65.7Low83.3Confident151 Ų15169.8 Ų69.866%0.65734%0.34SS*.THydrogen-bonded Turntrans-118.45179.6-62.8-169.9178.9179.60113.5K27 F118 C119K27-K29 PolarHBondContact O-N 3.15Å; K29-F118 CarbonylContact C-O 3.43Å; K29-C119 WeakPolarHBondContact CA-O 3.07Å; K29-C119 WeakPolarHBondContact CB-O 3.48Å; K29-C119 VanDerWaalsContact CG-O 3.29Å; K29-C119 WeakPolarHBondContact CG-O 3.24Å; K29-C119 VanDerWaalsContact O-CA 3.23Å; K29-C119 WeakPolarHBondContact O-CA 3.35Å
30K74Confident83.2Confident58 Ų5867.6 Ų67.625%0.25233%0.328SS..  trans-146.9150.9-172.2-66.3-171.1178.6-168.90111.1P25 K26 K27 E103 Y115P25-K30 HydrophobicContact CG-CB 3.91Å; P25-K30 HydrophobicContact CG-CD 3.47Å; P25-K30 VanDerWaalsContact CG-CD 3.47Å; P25-K30 HydrophobicContact CG-CG 4.2Å; P25-K30 CarbonylContact O-C 3.51Å; P25-K30 WeakPolarHBondContact O-CB 3.47Å; K26-K30 CarbonylContact C-O 3.5Å; K26-K30 VanDerWaalsContact C-O 3.27Å; K27-K30 PolarHBondContact O-N 2.88Å; K27-K30 VanDerWaalsContact O-N 3.16Å; K30-E103 WeakPolarHBondContact CE-OE1 3.33Å; K30-E103 IonicContact NZ-OE1 3.79Å; K30-E103 PolarHBondContact NZ-OE1 3.48Å; K30-E103 IonicContact NZ-OE2 2.65Å; K30-E103 PolarHBondContact NZ-OE2 3.42Å; K30-Y115 WeakPolarHBondContact CB-OH 3.27Å
31S78.6Confident83.1Confident11 Ų1167.8 Ų67.88%0.07733%0.33CS..  trans-113.424.3-170.175.50000114.9F21 Y115 N124F21-S31 WeakPolarHBondContact CE2-O 3.42Å; F21-S31 VanDerWaalsContact CZ-O 3.23Å; F21-S31 WeakPolarHBondContact CZ-O 3.49Å; S31-Y115 WeakPolarHBondContact OG-CE2 3.46Å; S31-N124 WeakPolarHBondContact CB-OD1 3.41Å
32G87.7Confident83.1Confident4 Ų470 Ų704%0.04135%0.349CS..SBendtrans-79.8-177.3177.200000113.2L24 P25 K26L24-G32 CarbonylContact O-C 3.3Å; L24-G32 VanDerWaalsContact O-C 3.3Å; L24-G32 VanDerWaalsContact O-CA 3.3Å; L24-G32 WeakPolarHBondContact O-CA 3.49Å; P25-G32 PolarHBondContact O-N 2.77Å; K26-G32 WeakPolarHBondContact CA-O 3.27Å; K26-G32 WeakPolarHBondContact CB-O 3.33Å
33L88.7Confident83Confident27 Ų2770.7 Ų70.714%0.14135%0.353CS..  trans-93.4-5.9-177.2-60.6179.3000114.6V6 L10 L17 F21 I22 L24 F35 F137 L141V6-L33 HydrophobicContact CG1-CD1 3.65Å; L10-L33 HydrophobicContact CD1-CD1 4.25Å; L17-L33 HydrophobicContact CD2-CD1 4.19Å; F21-L33 HydrophobicContact CD1-CD1 4.35Å; F21-L33 HydrophobicContact CD1-CG 4.17Å; F21-L33 HydrophobicContact CE1-CD1 4.24Å; F21-L33 HydrophobicContact CE1-CD2 4.2Å; F21-L33 HydrophobicContact CE1-CG 3.8Å; F21-L33 PolarHBondContact O-N 3.31Å; I22-L33 HydrophobicContact CG1-CD1 4.41Å; L24-L33 PolarHBondContact O-N 3.45Å; L33-F35 HydrophobicContact CB-CD2 3.57Å; L33-F35 HydrophobicContact CB-CE2 3.84Å; L33-F35 HydrophobicContact CD1-CD2 4.4Å; L33-F35 HydrophobicContact CD1-CE2 4.19Å; L33-F35 PolarHBondContact O-N 2.86Å; L33-F137 HydrophobicContact CD2-CZ 4.48Å; L33-L141 HydrophobicContact CD2-CD1 3.75Å; L33-L141 HydrophobicContact CD2-CD2 4Å
34S87.4Confident82.8Confident56 Ų5670.2 Ų70.239%0.39235%0.349SS..  trans59.418.6-178.8-77.60000115.7L24 K26 I36L24-S34 WeakPolarHBondContact O-CA 3.48Å; L24-S34 PolarHBondContact O-N 3.25Å; K26-S34 WeakPolarHBondContact CB-OG 3.33Å; K26-S34 PolarHBondContact N-OG 2.93Å; S34-I36 PolarHBondContact O-N 3.42Å
35F88.8Confident82.8Confident89 Ų8973.7 Ų73.739%0.3937%0.37SS..  trans-65.2135.1175.9-79.3-98.1000110.1V2 V6 I22 H23 L33V2-F35 HydrophobicContact CG1-CD1 4.06Å; V2-F35 HydrophobicContact CG1-CE1 4.36Å; V6-F35 HydrophobicContact CG2-CE1 4.03Å; V6-F35 HydrophobicContact CG2-CE2 3.9Å; V6-F35 HydrophobicContact CG2-CZ 3.63Å; I22-F35 HydrophobicContact CG2-CB 3.56Å; I22-F35 HydrophobicContact CG2-CD2 3.88Å; I22-F35 HydrophobicContact CG2-CG 3.83Å; I22-F35 WeakPolarHBondContact O-CB 3.43Å; I22-F35 PolarHBondContact O-N 2.82Å; H23-F35 WeakPolarHBondContact CA-O 3.2Å; H23-F35 PolarHBondContact ND1-O 3.42Å; L33-F35 HydrophobicContact CB-CD2 3.57Å; L33-F35 HydrophobicContact CB-CE2 3.84Å; L33-F35 HydrophobicContact CD1-CD2 4.4Å; L33-F35 HydrophobicContact CD1-CE2 4.19Å; L33-F35 PolarHBondContact O-N 2.86Å
36I87.1Confident83.1Confident119 Ų11973.7 Ų73.761%0.6137%0.369SS*.  trans-73.4132.7175.1-63.5174.1000108.5S34 L38 T41S34-I36 PolarHBondContact O-N 3.42Å; I36-L38 PolarHBondContact O-N 3.37Å; I36-T41 HydrophobicContact CG2-CG2 4.2Å; I36-T41 WeakPolarHBondContact CG2-OG1 3.46Å
37S88Confident83.6Confident21 Ų2168.6 Ų68.615%0.14735%0.347CS..  trans-73.7110.3163.6173.10000107.9H23 Q39 E40 T41H23-S37 PolarHBondContact ND1-N 3.28Å; S37-Q39 VanDerWaalsContact C-N 3.34Å; S37-E40 PolarHBondContact O-N 3.32Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 2.85Å; S37-T41 WeakPolarHBondContact O-CB 3.42Å; S37-T41 PolarHBondContact O-N 3.44Å; S37-T41 PolarHBondContact O-OG1 3.05Å
38L88.1Confident84.6Confident134 Ų13464.8 Ų64.870%0.70233%0.328SS*.Hα-helixtrans-59.8-46.1-178.5-69.6176.3000110.8I36 E40 T41 A42I36-L38 PolarHBondContact O-N 3.37Å; L38-E40 PolarHBondContact O-N 3.42Å; L38-T41 PolarHBondContact O-N 2.87Å; L38-T41 VanDerWaalsContact O-N 3.17Å; L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 3.26Å
39Q87.1Confident86Confident121 Ų12161.6 Ų61.657%0.56532%0.318SS*.Hα-helixtrans-57.4-52.1177.2-171.864.947.700111.4S37 T41 A42 D43S37-Q39 VanDerWaalsContact C-N 3.34Å; Q39-T41 PolarHBondContact O-N 3.16Å; Q39-A42 PolarHBondContact O-N 3.07Å; Q39-D43 PolarHBondContact NE2-OD1 2.74Å; Q39-D43 WeakPolarHBondContact O-CB 3.47Å; Q39-D43 PolarHBondContact O-N 3.08Å
40E86.8Confident87Confident28 Ų2854.7 Ų54.713%0.13129%0.289CS..Hα-helixtrans-63.7-28.9-179-68.3171.4-171.100112.3S37 L38 R44 R98 R102S37-E40 PolarHBondContact O-N 3.32Å; S37-E40 WeakPolarHBondContact OG-CG 3.38Å; S37-E40 PolarHBondContact OG-N 2.85Å; L38-E40 PolarHBondContact O-N 3.42Å; E40-R44 WeakPolarHBondContact O-CB 3.36Å; E40-R44 VanDerWaalsContact O-CG 3.26Å; E40-R44 WeakPolarHBondContact O-CG 3.47Å; E40-R44 PolarHBondContact O-N 2.79Å; E40-R44 PolarHBondContact O-NE 2.74Å; E40-R98 IonicContact OE1-CZ 3.21Å; E40-R98 IonicContact OE1-NE 3.48Å; E40-R98 PolarHBondContact OE1-NE 3.45Å; E40-R98 IonicContact OE1-NH2 2.86Å; E40-R98 PolarHBondContact OE1-NH2 3.42Å; E40-R98 IonicContact OE2-NE 2.94Å; E40-R102 VanDerWaalsContact CD-NH2 3.3Å; E40-R102 IonicContact OE1-CZ 3.06Å; E40-R102 IonicContact OE1-NH2 3.98Å; E40-R102 PolarHBondContact OE1-NH2 3.25Å; E40-R102 IonicContact OE2-NH2 3.96Å; E40-R102 PolarHBondContact OE2-NH2 3.08Å; E40-R102 VanDerWaalsContact OE2-NH2 3.12Å
41T88.4Confident87.5Confident41 Ų4152.6 Ų52.625%0.25228%0.28SS..Hα-helixtrans-79.8-42.2179.1-56.90000111.4I36 S37 L38 Q39 R44 T45I36-T41 HydrophobicContact CG2-CG2 4.2Å; I36-T41 WeakPolarHBondContact CG2-OG1 3.46Å; S37-T41 WeakPolarHBondContact O-CB 3.42Å; S37-T41 PolarHBondContact O-N 3.44Å; S37-T41 PolarHBondContact O-OG1 3.05Å; L38-T41 PolarHBondContact O-N 2.87Å; L38-T41 VanDerWaalsContact O-N 3.17Å; Q39-T41 PolarHBondContact O-N 3.16Å; T41-R44 PolarHBondContact OG1-NH2 2.94Å; T41-R44 VanDerWaalsContact OG1-NH2 3.08Å; T41-T45 WeakPolarHBondContact O-CB 3.39Å; T41-T45 PolarHBondContact O-N 2.97Å; T41-T45 PolarHBondContact O-OG1 3.22Å
42A90.2Very high87.9Confident48 Ų4855.7 Ų55.740%0.39730%0.302SS..Hα-helixtrans-58.5-54.1171.800000110.3L38 Q39 R44 T45 T46L38-A42 WeakPolarHBondContact O-CB 3.4Å; L38-A42 PolarHBondContact O-N 3.26Å; Q39-A42 PolarHBondContact O-N 3.07Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 3.1Å; A42-T45 CarbonylContact O-C 3.59Å; A42-T45 WeakPolarHBondContact O-CA 3.47Å; A42-T45 PolarHBondContact O-N 2.8Å; A42-T46 PolarHBondContact O-N 3.02Å; A42-T46 PolarHBondContact O-OG1 3.33Å; A42-T46 VanDerWaalsContact O-OG1 3.09Å
43D88.8Confident88Confident16 Ų1657.3 Ų57.39%0.08631%0.309CS..Hα-helixtrans-52.2-48.7-179.5-66.3-13.2000112.2Q39 T45 T46 I47 L77 Q81Q39-D43 PolarHBondContact NE2-OD1 2.74Å; Q39-D43 WeakPolarHBondContact O-CB 3.47Å; Q39-D43 PolarHBondContact O-N 3.08Å; D43-T45 VanDerWaalsContact C-N 3.34Å; D43-T45 PolarHBondContact O-N 2.72Å; D43-T46 PolarHBondContact O-N 3.04Å; D43-I47 VanDerWaalsContact O-CG1 3.26Å; D43-I47 WeakPolarHBondContact O-CG1 3.36Å; D43-I47 PolarHBondContact O-N 2.85Å; D43-L77 HydrophobicContact CB-CD2 3.99Å; D43-L77 WeakPolarHBondContact OD1-CD2 3.32Å; D43-Q81 PolarHBondContact OD2-NE2 3.47Å
44R86.2Confident88Confident38 Ų3858 Ų5814%0.14332%0.316CS..Hα-helixtrans-69.2-31.9179.5-71.4176.6-60.3177.41.7113E40 T41 A42 R48 K95E40-R44 WeakPolarHBondContact O-CB 3.36Å; E40-R44 VanDerWaalsContact O-CG 3.26Å; E40-R44 WeakPolarHBondContact O-CG 3.47Å; E40-R44 PolarHBondContact O-N 2.79Å; E40-R44 PolarHBondContact O-NE 2.74Å; T41-R44 PolarHBondContact OG1-NH2 2.94Å; T41-R44 VanDerWaalsContact OG1-NH2 3.08Å; A42-R44 VanDerWaalsContact C-N 3.32Å; A42-R44 PolarHBondContact O-N 3.1Å; R44-R48 WeakPolarHBondContact O-CB 3.19Å; R44-R48 WeakPolarHBondContact O-CG 3.16Å; R44-R48 PolarHBondContact O-N 2.94Å; R44-R48 VanDerWaalsContact O-N 3.13Å; R44-R48 PolarHBondContact O-NE 3.37Å; R44-K95 VanDerWaalsContact NH1-CG 3.34Å
45T88.9Confident88Confident75 Ų7563.6 Ų63.646%0.4633%0.329SS..Hα-helixtrans-73.1-43.7178.2-55.70000109.6T41 A42 D43 R48 L49T41-T45 WeakPolarHBondContact O-CB 3.39Å; T41-T45 PolarHBondContact O-N 2.97Å; T41-T45 PolarHBondContact O-OG1 3.22Å; A42-T45 CarbonylContact O-C 3.59Å; A42-T45 WeakPolarHBondContact O-CA 3.47Å; A42-T45 PolarHBondContact O-N 2.8Å; D43-T45 VanDerWaalsContact C-N 3.34Å; D43-T45 PolarHBondContact O-N 2.72Å; T45-R48 PolarHBondContact O-N 2.91Å; T45-L49 WeakPolarHBondContact O-CB 3.31Å; T45-L49 PolarHBondContact O-N 2.85Å
46T90Very high88.1Confident53 Ų5361 Ų6133%0.32532%0.322SS..Hα-helixtrans-59.3-47.5173.4-55.90000111.5A42 D43 R48 L49 V50 L77A42-T46 PolarHBondContact O-N 3.02Å; A42-T46 PolarHBondContact O-OG1 3.33Å; A42-T46 VanDerWaalsContact O-OG1 3.09Å; D43-T46 PolarHBondContact O-N 3.04Å; T46-R48 VanDerWaalsContact C-N 3.33Å; T46-R48 PolarHBondContact O-N 2.92Å; T46-L49 PolarHBondContact O-N 2.95Å; T46-V50 WeakPolarHBondContact O-CG2 3.5Å; T46-V50 PolarHBondContact O-N 3.12Å; T46-L77 HydrophobicContact CG2-CD1 3.76Å
47I87.9Confident88.3Confident0 Ų062 Ų620%033%0.334CS..Hα-helixtrans-57.6-48.1175.9-67.4161.5000110.3D43 L49 L51 L77 I78 Q81 L91D43-I47 VanDerWaalsContact O-CG1 3.26Å; D43-I47 WeakPolarHBondContact O-CG1 3.36Å; D43-I47 PolarHBondContact O-N 2.85Å; I47-L49 PolarHBondContact O-N 2.94Å; I47-L51 HydrophobicContact CG2-CD1 3.65Å; I47-L51 HydrophobicContact CG2-CG 4.44Å; I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 VanDerWaalsContact O-CD1 3.24Å; I47-L51 WeakPolarHBondContact O-CD1 3.35Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.09Å; I47-L51 VanDerWaalsContact O-N 3.13Å; I47-L77 HydrophobicContact CD1-CB 3.82Å; I47-L77 HydrophobicContact CG1-CB 3.72Å; I47-L77 HydrophobicContact CG1-CD1 4.13Å; I47-I78 HydrophobicContact CG2-CG1 4.48Å; I47-Q81 HydrophobicContact CD1-CG 3.95Å; I47-L91 HydrophobicContact CD1-CD2 4.15Å; I47-L91 HydrophobicContact CG2-CD1 3.88Å; I47-L91 HydrophobicContact CG2-CD2 4.09Å
48R87.4Confident88.6Confident102 Ų10265 Ų6539%0.38535%0.348SS..Hα-helixtrans-62.9-40.5180-81.7-175.8-111.3167.61.6113.2R44 T45 T46 L51 S52 Q88 L91R44-R48 WeakPolarHBondContact O-CB 3.19Å; R44-R48 WeakPolarHBondContact O-CG 3.16Å; R44-R48 PolarHBondContact O-N 2.94Å; R44-R48 VanDerWaalsContact O-N 3.13Å; R44-R48 PolarHBondContact O-NE 3.37Å; T45-R48 PolarHBondContact O-N 2.91Å; T46-R48 VanDerWaalsContact C-N 3.33Å; T46-R48 PolarHBondContact O-N 2.92Å; R48-L51 PolarHBondContact O-N 2.99Å; R48-S52 WeakPolarHBondContact O-CB 3.3Å; R48-S52 PolarHBondContact O-N 3.45Å; R48-Q88 VanDerWaalsContact CD-OE1 3.3Å; R48-L91 HydrophobicContact CG-CD1 4.12Å
49L89.4Confident88.9Confident102 Ų10263.4 Ų63.453%0.53434%0.344SS..Hα-helixtrans-61.8-54.7178.8-175.472.2000110.3T45 T46 I47 L51 S52 D53T45-L49 WeakPolarHBondContact O-CB 3.31Å; T45-L49 PolarHBondContact O-N 2.85Å; T46-L49 PolarHBondContact O-N 2.95Å; I47-L49 PolarHBondContact O-N 2.94Å; L49-L51 PolarHBondContact O-N 3.05Å; L49-L51 VanDerWaalsContact O-N 3.1Å; L49-S52 WeakPolarHBondContact O-CA 3.2Å; L49-S52 WeakPolarHBondContact O-CB 3.23Å; L49-S52 PolarHBondContact O-N 3.38Å; L49-D53 VanDerWaalsContact O-CG 3.25Å; L49-D53 PolarHBondContact O-N 3Å
50V87.9Confident89.2Confident5 Ų560.3 Ų60.33%0.0334%0.339CS..Hα-helixtrans-58.1-32.6179.8177.70000111.6T46 S54 R74T46-V50 WeakPolarHBondContact O-CG2 3.5Å; T46-V50 PolarHBondContact O-N 3.12Å; V50-S54 WeakPolarHBondContact O-CB 3.4Å; V50-S54 PolarHBondContact O-N 2.66Å; V50-S54 VanDerWaalsContact O-N 3.12Å; V50-S54 PolarHBondContact O-OG 3.22Å; V50-R74 HydrophobicContact CG1-CB 4.19Å; V50-R74 HydrophobicContact CG1-CG 4.41Å
51L84.2Confident89.5Confident15 Ų1559.9 Ų59.98%0.07934%0.34CS..Hα-helixtrans-73.8-40.3175.6-71.2163.3000113.7I47 R48 L49 D53 S54 R55 S86 L91I47-L51 HydrophobicContact CG2-CD1 3.65Å; I47-L51 HydrophobicContact CG2-CG 4.44Å; I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 VanDerWaalsContact O-CD1 3.24Å; I47-L51 WeakPolarHBondContact O-CD1 3.35Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.09Å; I47-L51 VanDerWaalsContact O-N 3.13Å; R48-L51 PolarHBondContact O-N 2.99Å; L49-L51 PolarHBondContact O-N 3.05Å; L49-L51 VanDerWaalsContact O-N 3.1Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-S54 WeakPolarHBondContact CA-OG 3.29Å; L51-S54 PolarHBondContact O-N 3.02Å; L51-S54 PolarHBondContact O-OG 2.96Å; L51-R55 WeakPolarHBondContact O-CG 3.49Å; L51-R55 PolarHBondContact O-N 3.11Å; L51-S86 WeakPolarHBondContact CD1-O 3.36Å; L51-S86 WeakPolarHBondContact CD2-OG 3.43Å; L51-L91 HydrophobicContact CD1-CD1 4.49Å
52S88.3Confident89.7Confident75 Ų7561.4 Ų61.452%0.52435%0.345SS..Hα-helixtrans-60.3-46.9174.7-169.20000109.8R48 L49 S54 R55 S56R48-S52 WeakPolarHBondContact O-CB 3.3Å; R48-S52 PolarHBondContact O-N 3.45Å; L49-S52 WeakPolarHBondContact O-CA 3.2Å; L49-S52 WeakPolarHBondContact O-CB 3.23Å; L49-S52 PolarHBondContact O-N 3.38Å; S52-S54 VanDerWaalsContact C-N 3.34Å; S52-S54 PolarHBondContact O-N 2.99Å; S52-R55 CarbonylContact O-C 3.51Å; S52-R55 PolarHBondContact O-N 3.28Å; S52-R55 VanDerWaalsContact O-N 3.09Å; S52-S56 PolarHBondContact O-N 3.19Å
53D89.5Confident89.8Confident38 Ų3862.5 Ų62.520%0.20335%0.35CS..Hα-helixtrans-62-42.2179.8-62.4-16.4000111.2L49 L51 R55 S56 A61L49-D53 VanDerWaalsContact O-CG 3.25Å; L49-D53 PolarHBondContact O-N 3Å; L51-D53 VanDerWaalsContact C-N 3.31Å; D53-R55 PolarHBondContact O-N 3.44Å; D53-S56 WeakPolarHBondContact O-CB 3.21Å; D53-S56 PolarHBondContact O-N 3.49Å; D53-S56 VanDerWaalsContact O-N 3.17Å; D53-A61 HydrophobicContact CB-CB 4.4Å
54S87.4Confident90Very high41 Ų4164.9 Ų64.929%0.28737%0.365SS..Hα-helixtrans-65.5-17.4176.970.10000114.9V50 L51 S52 S65V50-S54 WeakPolarHBondContact O-CB 3.4Å; V50-S54 PolarHBondContact O-N 2.66Å; V50-S54 VanDerWaalsContact O-N 3.12Å; V50-S54 PolarHBondContact O-OG 3.22Å; L51-S54 WeakPolarHBondContact CA-OG 3.29Å; L51-S54 PolarHBondContact O-N 3.02Å; L51-S54 PolarHBondContact O-OG 2.96Å; S52-S54 VanDerWaalsContact C-N 3.34Å; S52-S54 PolarHBondContact O-N 2.99Å; S54-S65 VanDerWaalsContact CA-OG 3.26Å; S54-S65 WeakPolarHBondContact CA-OG 3.32Å; S54-S65 WeakPolarHBondContact CB-OG 3.2Å
55R87.5Confident90.2Very high174 Ų17463.2 Ų63.266%0.65736%0.359SS*.THydrogen-bonded Turntrans-110.20.5179.3-64.3176.6-175.6-167.7-2112.4L51 S52 D53L51-R55 WeakPolarHBondContact O-CG 3.49Å; L51-R55 PolarHBondContact O-N 3.11Å; S52-R55 CarbonylContact O-C 3.51Å; S52-R55 PolarHBondContact O-N 3.28Å; S52-R55 VanDerWaalsContact O-N 3.09Å; D53-R55 PolarHBondContact O-N 3.44Å
56S90.1Very high90.2Very high35 Ų3565.6 Ų65.625%0.24536%0.364CS..  trans-65.1150.4179.5-171.90000109.9S52 D53 D58 Q62S52-S56 PolarHBondContact O-N 3.19Å; D53-S56 WeakPolarHBondContact O-CB 3.21Å; D53-S56 PolarHBondContact O-N 3.49Å; D53-S56 VanDerWaalsContact O-N 3.17Å; S56-D58 WeakPolarHBondContact OG-CB 3.48Å; S56-D58 PolarHBondContact OG-N 2.69Å; S56-D58 VanDerWaalsContact OG-N 3.16Å; S56-Q62 WeakPolarHBondContact O-CG 3.29Å; S56-Q62 PolarHBondContact O-NE2 3.07Å
57T93.1Very high90.4Very high141 Ų14166.8 Ų66.887%0.86537%0.369SS*.SBendtrans-78.2-13.616852.40000112.2
58D94.3Very high90.6Very high82 Ų8275.7 Ų75.744%0.43940%0.402SS..  trans-77.4119.3175.6179.70.3000110.5S56 A60 A61 Q62S56-D58 WeakPolarHBondContact OG-CB 3.48Å; S56-D58 PolarHBondContact OG-N 2.69Å; S56-D58 VanDerWaalsContact OG-N 3.16Å; D58-A60 VanDerWaalsContact C-N 3.27Å; D58-A60 PolarHBondContact O-N 2.62Å; D58-A60 WeakPolarHBondContact OD1-CB 3.41Å; D58-A60 PolarHBondContact OD1-N 3.09Å; D58-A61 HydrophobicContact CB-CB 4.07Å; D58-A61 PolarHBondContact O-N 2.77Å; D58-Q62 PolarHBondContact O-N 3.11Å
59T94Very high90.8Very high102 Ų10276.2 Ų76.263%0.62641%0.408SS*.Hα-helixtrans-62.1-33.9-179.851.60000112.2Q62 S63T59-Q62 PolarHBondContact O-N 3.45Å; T59-S63 WeakPolarHBondContact O-CB 3.47Å; T59-S63 PolarHBondContact O-N 2.93Å; T59-S63 PolarHBondContact O-OG 2.96Å; T59-S63 VanDerWaalsContact O-OG 3.08Å
60A93.7Very high90.9Very high56 Ų5672.7 Ų72.746%0.46339%0.389SS..Hα-helixtrans-66.8-44.8177.600000111.1D58 Q62 S63 V64D58-A60 VanDerWaalsContact C-N 3.27Å; D58-A60 PolarHBondContact O-N 2.62Å; D58-A60 WeakPolarHBondContact OD1-CB 3.41Å; D58-A60 PolarHBondContact OD1-N 3.09Å; A60-Q62 PolarHBondContact O-N 3.18Å; A60-S63 PolarHBondContact O-N 2.91Å; A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.5Å; A60-V64 PolarHBondContact O-N 3.3Å
61A92Very high90.9Very high18 Ų1876.1 Ų76.115%0.14941%0.405CS..Hα-helixtrans-61.7-43175.900000111.8D53 D58 V64 S65D53-A61 HydrophobicContact CB-CB 4.4Å; D58-A61 HydrophobicContact CB-CB 4.07Å; D58-A61 PolarHBondContact O-N 2.77Å; A61-V64 PolarHBondContact O-N 3.47Å; A61-S65 PolarHBondContact O-N 3.43Å
62Q92.9Very high91.2Very high74 Ų7479.5 Ų79.535%0.34642%0.423SS..Hα-helixtrans-59.1-51.8174.7-71.2-180-8.800111.4S56 D58 T59 A60 V64 S65 E66S56-Q62 WeakPolarHBondContact O-CG 3.29Å; S56-Q62 PolarHBondContact O-NE2 3.07Å; D58-Q62 PolarHBondContact O-N 3.11Å; T59-Q62 PolarHBondContact O-N 3.45Å; A60-Q62 PolarHBondContact O-N 3.18Å; Q62-V64 VanDerWaalsContact C-N 3.31Å; Q62-V64 PolarHBondContact O-N 3.11Å; Q62-S65 WeakPolarHBondContact O-CB 3.37Å; Q62-S65 PolarHBondContact O-N 3.43Å; Q62-S65 PolarHBondContact O-OG 2.7Å; Q62-E66 WeakPolarHBondContact O-CG 3.11Å; Q62-E66 PolarHBondContact O-N 3.23Å; Q62-E66 VanDerWaalsContact O-N 3.11Å
63S93Very high91.3Very high71 Ų7177.5 Ų77.550%0.49741%0.408SS..Hα-helixtrans-58.5-41178.7-64.90000112.3T59 A60 S65 E66 L67T59-S63 WeakPolarHBondContact O-CB 3.47Å; T59-S63 PolarHBondContact O-N 2.93Å; T59-S63 PolarHBondContact O-OG 2.96Å; T59-S63 VanDerWaalsContact O-OG 3.08Å; A60-S63 PolarHBondContact O-N 2.91Å; S63-S65 VanDerWaalsContact C-N 3.34Å; S63-S65 PolarHBondContact O-N 2.88Å; S63-E66 PolarHBondContact O-N 3.28Å; S63-L67 PolarHBondContact O-N 2.8Å
64V92.1Very high91.1Very high66 Ų6678.5 Ų78.540%0.441%0.409SS..Hα-helixtrans-62-42.8175.41700000111.1A60 A61 Q62 E66 L67 N70A60-V64 VanDerWaalsContact O-CG2 3.29Å; A60-V64 WeakPolarHBondContact O-CG2 3.5Å; A60-V64 PolarHBondContact O-N 3.3Å; A61-V64 PolarHBondContact O-N 3.47Å; Q62-V64 VanDerWaalsContact C-N 3.31Å; Q62-V64 PolarHBondContact O-N 3.11Å; V64-E66 PolarHBondContact O-N 3.04Å; V64-L67 HydrophobicContact CB-CD1 4.47Å; V64-L67 HydrophobicContact CG1-CD1 4.42Å; V64-L67 HydrophobicContact CG2-CD1 4.49Å; V64-L67 WeakPolarHBondContact O-CB 3.38Å; V64-L67 WeakPolarHBondContact O-CG 3.45Å; V64-L67 PolarHBondContact O-N 3.32Å; V64-N70 PolarHBondContact O-ND2 3.34Å
65S89.9Confident91.1Very high3 Ų379.8 Ų79.82%0.02142%0.418CS..Hα-helixtrans-63.4-28.1178.3850000113.1S54 A61 Q62 S63S54-S65 VanDerWaalsContact CA-OG 3.26Å; S54-S65 WeakPolarHBondContact CA-OG 3.32Å; S54-S65 WeakPolarHBondContact CB-OG 3.2Å; A61-S65 PolarHBondContact O-N 3.43Å; Q62-S65 WeakPolarHBondContact O-CB 3.37Å; Q62-S65 PolarHBondContact O-N 3.43Å; Q62-S65 PolarHBondContact O-OG 2.7Å; S63-S65 VanDerWaalsContact C-N 3.34Å; S63-S65 PolarHBondContact O-N 2.88Å
66E90.7Very high91.2Very high124 Ų12477.8 Ų77.858%0.57941%0.41SS*.Hα-helixtrans-84-13.8179.8-70.9-179171.300113.8Q62 S63 V64 W68 Q71Q62-E66 WeakPolarHBondContact O-CG 3.11Å; Q62-E66 PolarHBondContact O-N 3.23Å; Q62-E66 VanDerWaalsContact O-N 3.11Å; S63-E66 PolarHBondContact O-N 3.28Å; V64-E66 PolarHBondContact O-N 3.04Å; E66-W68 PolarHBondContact O-N 3.48Å; E66-Q71 VanDerWaalsContact O-CD 3.29Å; E66-Q71 PolarHBondContact O-NE2 3.17Å
67L93.5Very high91.1Very high79 Ų7976.4 Ų76.441%0.41440%0.4SS..SBendtrans-53.3132175.2-65.5171.2000110S63 V64 F69 N70 Q71S63-L67 PolarHBondContact O-N 2.8Å; V64-L67 HydrophobicContact CB-CD1 4.47Å; V64-L67 HydrophobicContact CG1-CD1 4.42Å; V64-L67 HydrophobicContact CG2-CD1 4.49Å; V64-L67 WeakPolarHBondContact O-CB 3.38Å; V64-L67 WeakPolarHBondContact O-CG 3.45Å; V64-L67 PolarHBondContact O-N 3.32Å; L67-F69 HydrophobicContact CB-CD1 3.75Å; L67-F69 HydrophobicContact CB-CE1 3.45Å; L67-F69 VanDerWaalsContact CB-CE1 3.45Å; L67-F69 HydrophobicContact CB-CZ 4.16Å; L67-F69 HydrophobicContact CD1-CE1 3.48Å; L67-F69 VanDerWaalsContact CD1-CE1 3.48Å; L67-F69 HydrophobicContact CD1-CZ 3.88Å; L67-F69 HydrophobicContact CG-CE1 4.03Å; L67-F69 PolarHBondContact O-N 3.14Å; L67-N70 WeakPolarHBondContact O-CA 3.17Å; L67-N70 WeakPolarHBondContact O-CB 3.39Å; L67-N70 PolarHBondContact O-N 3.12Å; L67-Q71 PolarHBondContact O-N 3.31Å
68W91.9Very high90.8Very high187 Ų18770.9 Ų70.971%0.70837%0.365SS*.Hα-helixtrans-49.3-40.4-173.9167.986.3000113.4E66 N70 Q71 L72E66-W68 PolarHBondContact O-N 3.48Å; W68-N70 PolarHBondContact O-N 2.72Å; W68-Q71 PolarHBondContact O-N 2.92Å; W68-L72 HydrophobicContact CD2-CD1 3.78Å; W68-L72 HydrophobicContact CD2-CG 4.3Å; W68-L72 HydrophobicContact CE3-CD1 4.19Å; W68-L72 HydrophobicContact CH2-CD1 3.58Å; W68-L72 HydrophobicContact CZ2-CD1 3.1Å; W68-L72 HydrophobicContact CZ2-CG 4.29Å; W68-L72 HydrophobicContact CZ3-CD1 4.1Å; W68-L72 WeakPolarHBondContact O-CB 3.47Å; W68-L72 WeakPolarHBondContact O-CG 3.14Å; W68-L72 PolarHBondContact O-N 2.79Å
69F92.1Very high90.4Very high113 Ų11377.2 Ų77.250%0.49638%0.383SS..Hα-helixtrans-65.9-36.1179.173.3-93.9000112.6L67 C73L67-F69 HydrophobicContact CB-CD1 3.75Å; L67-F69 HydrophobicContact CB-CE1 3.45Å; L67-F69 VanDerWaalsContact CB-CE1 3.45Å; L67-F69 HydrophobicContact CB-CZ 4.16Å; L67-F69 HydrophobicContact CD1-CE1 3.48Å; L67-F69 VanDerWaalsContact CD1-CE1 3.48Å; L67-F69 HydrophobicContact CD1-CZ 3.88Å; L67-F69 HydrophobicContact CG-CE1 4.03Å; L67-F69 PolarHBondContact O-N 3.14Å; F69-C73 WeakPolarHBondContact O-CB 3.41Å; F69-C73 PolarHBondContact O-N 3.49Å
70N91.1Very high90Very high27 Ų2779.2 Ų79.214%0.14438%0.379CS..Hα-helixtrans-71.5-41.9176.7-82.3-29.3000110.9V64 L67 W68 C73 R74V64-N70 PolarHBondContact O-ND2 3.34Å; L67-N70 WeakPolarHBondContact O-CA 3.17Å; L67-N70 WeakPolarHBondContact O-CB 3.39Å; L67-N70 PolarHBondContact O-N 3.12Å; W68-N70 PolarHBondContact O-N 2.72Å; N70-C73 PolarHBondContact O-N 2.75Å; N70-R74 VanDerWaalsContact O-CB 3.23Å; N70-R74 WeakPolarHBondContact O-CB 3.45Å; N70-R74 PolarHBondContact O-N 3.24Å
71Q88.4Confident89.4Confident78 Ų7877.7 Ų77.736%0.36436%0.362SS..Hα-helixtrans-61.2-46.6174.2-65.8-171.7-10.500111.8E66 L67 W68 R74 S75E66-Q71 VanDerWaalsContact O-CD 3.29Å; E66-Q71 PolarHBondContact O-NE2 3.17Å; L67-Q71 PolarHBondContact O-N 3.31Å; W68-Q71 PolarHBondContact O-N 2.92Å; Q71-R74 PolarHBondContact O-N 3.37Å; Q71-S75 WeakPolarHBondContact O-CB 3.26Å; Q71-S75 PolarHBondContact O-N 3.12Å; Q71-S75 PolarHBondContact O-OG 3.08Å; Q71-S75 VanDerWaalsContact O-OG 3.08Å
72L89.9Confident88.8Confident86 Ų8680.1 Ų80.145%0.4539%0.389SS..Hα-helixtrans-63.3-45.8175.8-79.7-171.9000112.5W68 R74 S75 R76W68-L72 HydrophobicContact CD2-CD1 3.78Å; W68-L72 HydrophobicContact CD2-CG 4.3Å; W68-L72 HydrophobicContact CE3-CD1 4.19Å; W68-L72 HydrophobicContact CH2-CD1 3.58Å; W68-L72 HydrophobicContact CZ2-CD1 3.1Å; W68-L72 HydrophobicContact CZ2-CG 4.29Å; W68-L72 HydrophobicContact CZ3-CD1 4.1Å; W68-L72 WeakPolarHBondContact O-CB 3.47Å; W68-L72 WeakPolarHBondContact O-CG 3.14Å; W68-L72 PolarHBondContact O-N 2.79Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 3.48Å; L72-S75 PolarHBondContact O-N 3.04Å; L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.43Å; L72-R76 PolarHBondContact O-N 3.39Å
73C89.3Confident88.1Confident32 Ų3277.3 Ų77.322%0.21638%0.377CS..Hα-helixtrans-58.6-47.1177.7-171.90000110.4F69 N70 R76 L77F69-C73 WeakPolarHBondContact O-CB 3.41Å; F69-C73 PolarHBondContact O-N 3.49Å; N70-C73 PolarHBondContact O-N 2.75Å; C73-R76 PolarHBondContact O-N 3.3Å; C73-L77 WeakPolarHBondContact O-CB 3.46Å; C73-L77 VanDerWaalsContact O-CG 3.24Å; C73-L77 WeakPolarHBondContact O-CG 3.21Å; C73-L77 PolarHBondContact O-N 3.44Å
74R86.5Confident87Confident60 Ų6078.8 Ų78.823%0.22639%0.394CS..Hα-helixtrans-57.3-53.9175.3-178.5-176.871.5-165.42111.6V50 N70 Q71 L72 R76 L77 I78V50-R74 HydrophobicContact CG1-CB 4.19Å; V50-R74 HydrophobicContact CG1-CG 4.41Å; N70-R74 VanDerWaalsContact O-CB 3.23Å; N70-R74 WeakPolarHBondContact O-CB 3.45Å; N70-R74 PolarHBondContact O-N 3.24Å; Q71-R74 PolarHBondContact O-N 3.37Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 3.48Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 2.84Å; R74-L77 PolarHBondContact O-N 3.05Å; R74-I78 HydrophobicContact CG-CD1 3.7Å; R74-I78 HydrophobicContact CG-CG1 4.35Å; R74-I78 WeakPolarHBondContact O-CB 3.42Å; R74-I78 VanDerWaalsContact O-CG1 3.29Å; R74-I78 WeakPolarHBondContact O-CG1 3.16Å; R74-I78 PolarHBondContact O-N 3.22Å
75S86.8Confident85.9Confident67 Ų6778.5 Ų78.547%0.46939%0.392SS..Hα-helixtrans-59.8-41.6-178.8-65.20000112.1Q71 L72 R79Q71-S75 WeakPolarHBondContact O-CB 3.26Å; Q71-S75 PolarHBondContact O-N 3.12Å; Q71-S75 PolarHBondContact O-OG 3.08Å; Q71-S75 VanDerWaalsContact O-OG 3.08Å; L72-S75 PolarHBondContact O-N 3.04Å; S75-R79 WeakPolarHBondContact O-CB 3.37Å; S75-R79 PolarHBondContact O-N 2.82Å
76R89.7Confident84.9Confident133 Ų13380 Ų8050%0.50240%0.402SS..Hα-helixtrans-62.3-48175.3-176.7177.169.5-177.4-1.1111.8L72 C73 R74 R79 W80L72-R76 VanDerWaalsContact O-CB 3.29Å; L72-R76 WeakPolarHBondContact O-CB 3.43Å; L72-R76 PolarHBondContact O-N 3.39Å; C73-R76 PolarHBondContact O-N 3.3Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 2.84Å; R76-R79 PolarHBondContact O-N 3.08Å; R76-W80 HydrophobicContact CG-CD2 4.03Å; R76-W80 HydrophobicContact CG-CE3 4.36Å; R76-W80 HydrophobicContact CG-CH2 4.05Å; R76-W80 HydrophobicContact CG-CZ2 3.68Å; R76-W80 HydrophobicContact CG-CZ3 4.37Å; R76-W80 PolarHBondContact O-N 3.1Å
77L89Confident84.2Confident6 Ų679 Ų793%0.03140%0.398CS..Hα-helixtrans-66.2-41.4-179.7-70.9176.4000111.9D43 T46 I47 C73 R74 R79 W80 Q81D43-L77 HydrophobicContact CB-CD2 3.99Å; D43-L77 WeakPolarHBondContact OD1-CD2 3.32Å; T46-L77 HydrophobicContact CG2-CD1 3.76Å; I47-L77 HydrophobicContact CD1-CB 3.82Å; I47-L77 HydrophobicContact CG1-CB 3.72Å; I47-L77 HydrophobicContact CG1-CD1 4.13Å; C73-L77 WeakPolarHBondContact O-CB 3.46Å; C73-L77 VanDerWaalsContact O-CG 3.24Å; C73-L77 WeakPolarHBondContact O-CG 3.21Å; C73-L77 PolarHBondContact O-N 3.44Å; R74-L77 PolarHBondContact O-N 3.05Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 3.22Å; L77-W80 HydrophobicContact CD2-CE3 3.88Å; L77-W80 HydrophobicContact CD2-CZ3 4.19Å; L77-W80 PolarHBondContact O-N 2.85Å; L77-Q81 WeakPolarHBondContact O-CB 3.4Å; L77-Q81 VanDerWaalsContact O-CG 3.23Å; L77-Q81 WeakPolarHBondContact O-CG 3.32Å; L77-Q81 PolarHBondContact O-N 3.29Å
78I86.2Confident83.4Confident25 Ų2579.3 Ų79.313%0.12840%0.397CS..Hα-helixtrans-58.4-46.9175.2-74.4175.7000110.5I47 R74 W80 Q81 G82 V83I47-I78 HydrophobicContact CG2-CG1 4.48Å; R74-I78 HydrophobicContact CG-CD1 3.7Å; R74-I78 HydrophobicContact CG-CG1 4.35Å; R74-I78 WeakPolarHBondContact O-CB 3.42Å; R74-I78 VanDerWaalsContact O-CG1 3.29Å; R74-I78 WeakPolarHBondContact O-CG1 3.16Å; R74-I78 PolarHBondContact O-N 3.22Å; I78-W80 PolarHBondContact O-N 3.5Å; I78-Q81 PolarHBondContact O-N 2.88Å; I78-G82 PolarHBondContact O-N 3.38Å; I78-G82 VanDerWaalsContact O-N 3.08Å; I78-V83 HydrophobicContact CG2-CB 4.49Å; I78-V83 WeakPolarHBondContact CG2-O 3.4Å; I78-V83 PolarHBondContact O-N 2.93Å; I78-V83 VanDerWaalsContact O-N 3.15Å
79R86Confident83.1Confident214 Ų21473.3 Ų73.381%0.80839%0.387SS*.Hα-helixtrans-61-44.6175.7-176.3178.6175.8-177.6-0.4112.1S75 R76 L77 Q81 G82S75-R79 WeakPolarHBondContact O-CB 3.37Å; S75-R79 PolarHBondContact O-N 2.82Å; R76-R79 PolarHBondContact O-N 3.08Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 3.22Å; R79-Q81 VanDerWaalsContact C-N 3.3Å; R79-Q81 PolarHBondContact O-N 3.02Å; R79-G82 PolarHBondContact O-N 3.25Å; R79-G82 VanDerWaalsContact O-N 3.1Å
80W84.3Confident82.7Confident145 Ų14569.3 Ų69.355%0.54937%0.374SS..Hα-helixtrans-66-30.5177.5-72.2-9.5000113.7R76 L77 I78 G82R76-W80 HydrophobicContact CG-CD2 4.03Å; R76-W80 HydrophobicContact CG-CE3 4.36Å; R76-W80 HydrophobicContact CG-CH2 4.05Å; R76-W80 HydrophobicContact CG-CZ2 3.68Å; R76-W80 HydrophobicContact CG-CZ3 4.37Å; R76-W80 PolarHBondContact O-N 3.1Å; L77-W80 HydrophobicContact CD2-CE3 3.88Å; L77-W80 HydrophobicContact CD2-CZ3 4.19Å; L77-W80 PolarHBondContact O-N 2.85Å; I78-W80 PolarHBondContact O-N 3.5Å; W80-G82 VanDerWaalsContact C-N 3.28Å
81Q81.3Confident82.4Confident23 Ų2368.4 Ų68.411%0.10737%0.368CS..Hα-helixtrans-81.4-8.2174.4-65.2-68-26.300112.5D43 I47 L77 I78 R79 V83D43-Q81 PolarHBondContact OD2-NE2 3.47Å; I47-Q81 HydrophobicContact CD1-CG 3.95Å; L77-Q81 WeakPolarHBondContact O-CB 3.4Å; L77-Q81 VanDerWaalsContact O-CG 3.23Å; L77-Q81 WeakPolarHBondContact O-CG 3.32Å; L77-Q81 PolarHBondContact O-N 3.29Å; I78-Q81 PolarHBondContact O-N 2.88Å; R79-Q81 VanDerWaalsContact C-N 3.3Å; R79-Q81 PolarHBondContact O-N 3.02Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 HydrophobicContact CB-CG2 3.75Å
82G79.6Confident82.3Confident69 Ų6968.2 Ų68.271%0.71137%0.37SS*.THydrogen-bonded Turntrans67.832.5179.600000113.1I78 R79 W80I78-G82 PolarHBondContact O-N 3.38Å; I78-G82 VanDerWaalsContact O-N 3.08Å; R79-G82 PolarHBondContact O-N 3.25Å; R79-G82 VanDerWaalsContact O-N 3.1Å; W80-G82 VanDerWaalsContact C-N 3.28Å
83V79Confident82.2Confident16 Ų1669 Ų6910%0.09738%0.378CS..  trans-107.4135.1-176.9-160.30000109.2I78 Q81 T85 L91 A94I78-V83 HydrophobicContact CG2-CB 4.49Å; I78-V83 WeakPolarHBondContact CG2-O 3.4Å; I78-V83 PolarHBondContact O-N 2.93Å; I78-V83 VanDerWaalsContact O-N 3.15Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 HydrophobicContact CB-CG2 3.75Å; V83-T85 WeakPolarHBondContact CG1-O 3.46Å; V83-L91 HydrophobicContact CG2-CD2 4.33Å; V83-A94 HydrophobicContact CG2-CB 3.53Å
84A70.2Confident82.1Confident102 Ų10268.2 Ų68.284%0.84337%0.374SS*.SBendtrans-79-35.3178.100000112.3
85T69.2Low82.2Confident59 Ų5970.4 Ų70.436%0.36239%0.385SS..SBendtrans-123.7153.2-177.765.10000111.2V83 E87 S90V83-T85 WeakPolarHBondContact CG1-O 3.46Å; T85-E87 PolarHBondContact O-N 3.39Å; T85-S90 PolarHBondContact OG1-OG 2.97Å
86S67.4Low82.2Confident34 Ų3471.7 Ų71.724%0.23839%0.39CS..  trans-82.617.6178.460.10000112.9L51L51-S86 WeakPolarHBondContact CD1-O 3.36Å; L51-S86 WeakPolarHBondContact CD2-OG 3.43Å
87E76.3Confident82.3Confident105 Ų10568.1 Ų68.149%0.49139%0.389SS..  trans-73.8145-179.2-67176.4-176.200112.3T85 A89 S90 L91T85-E87 PolarHBondContact O-N 3.39Å; E87-A89 PolarHBondContact O-N 2.88Å; E87-S90 WeakPolarHBondContact O-CB 3.48Å; E87-S90 PolarHBondContact O-N 3.15Å; E87-L91 PolarHBondContact O-N 2.93Å
88Q77.9Confident82.2Confident84 Ų8473 Ų7339%0.39341%0.407SS..Hα-helixtrans-58.2-34.7179.5-176.256.454.800112.4R48 N92R48-Q88 VanDerWaalsContact CD-OE1 3.3Å; Q88-N92 PolarHBondContact NE2-OD1 3.32Å; Q88-N92 VanDerWaalsContact O-CG 3.3Å; Q88-N92 PolarHBondContact O-N 2.83Å; Q88-N92 VanDerWaalsContact O-N 3.12Å; Q88-N92 PolarHBondContact O-ND2 2.92Å
89A84.6Confident82.4Confident61 Ų6174.1 Ų74.150%0.50442%0.421SS..Hα-helixtrans-63.1-49.2174.500000111.2E87 L91 N92 V93E87-A89 PolarHBondContact O-N 2.88Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 3.16Å; A89-N92 WeakPolarHBondContact O-CB 3.47Å; A89-N92 PolarHBondContact O-N 3.49Å; A89-V93 WeakPolarHBondContact O-CG2 3.27Å; A89-V93 PolarHBondContact O-N 3.34Å
90S84.4Confident82.5Confident30 Ų3066.4 Ų66.421%0.2140%0.403CS..Hα-helixtrans-60.1-40178.7-51.40000112.4T85 E87 N92 V93 A94T85-S90 PolarHBondContact OG1-OG 2.97Å; E87-S90 WeakPolarHBondContact O-CB 3.48Å; E87-S90 PolarHBondContact O-N 3.15Å; S90-N92 PolarHBondContact O-N 2.73Å; S90-V93 PolarHBondContact O-N 2.92Å; S90-A94 WeakPolarHBondContact O-CB 3.5Å; S90-A94 PolarHBondContact O-N 2.89Å
91L83.6Confident82.9Confident7 Ų761.8 Ų61.84%0.03740%0.396CS..Hα-helixtrans-64.4-37.3174-67.1174.2000112.9I47 R48 L51 V83 E87 A89 K95I47-L91 HydrophobicContact CD1-CD2 4.15Å; I47-L91 HydrophobicContact CG2-CD1 3.88Å; I47-L91 HydrophobicContact CG2-CD2 4.09Å; R48-L91 HydrophobicContact CG-CD1 4.12Å; L51-L91 HydrophobicContact CD1-CD1 4.49Å; V83-L91 HydrophobicContact CG2-CD2 4.33Å; E87-L91 PolarHBondContact O-N 2.93Å; A89-L91 VanDerWaalsContact C-N 3.33Å; A89-L91 PolarHBondContact O-N 3.16Å; L91-K95 WeakPolarHBondContact O-CB 3.21Å; L91-K95 PolarHBondContact O-N 3.25Å
92N86.6Confident83.4Confident74 Ų7462.1 Ų62.140%0.39640%0.396SS..Hα-helixtrans-70-37.7176.6-75.3-24.3000112.1Q88 A89 S90 T96Q88-N92 PolarHBondContact NE2-OD1 3.32Å; Q88-N92 VanDerWaalsContact O-CG 3.3Å; Q88-N92 PolarHBondContact O-N 2.83Å; Q88-N92 VanDerWaalsContact O-N 3.12Å; Q88-N92 PolarHBondContact O-ND2 2.92Å; A89-N92 WeakPolarHBondContact O-CB 3.47Å; A89-N92 PolarHBondContact O-N 3.49Å; S90-N92 PolarHBondContact O-N 2.73Å; N92-T96 PolarHBondContact O-N 3.37Å; N92-T96 VanDerWaalsContact O-N 3.07Å; N92-T96 PolarHBondContact O-OG1 3.05Å
93V88.6Confident83.9Confident102 Ų10260.6 Ų60.662%0.61837%0.37SS*.Hα-helixtrans-62.6-50173.4172.20000110.2A89 S90 K95 T96 A97A89-V93 WeakPolarHBondContact O-CG2 3.27Å; A89-V93 PolarHBondContact O-N 3.34Å; S90-V93 PolarHBondContact O-N 2.92Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 2.99Å; V93-T96 WeakPolarHBondContact O-CB 3.48Å; V93-T96 PolarHBondContact O-N 2.65Å; V93-A97 PolarHBondContact O-N 3.01Å
94A87.1Confident84.5Confident17 Ų1762.4 Ų62.414%0.1439%0.386CS..Hα-helixtrans-59.9-41.6178.200000112.7V83 S90 T96 A97 R98V83-A94 HydrophobicContact CG2-CB 3.53Å; S90-A94 WeakPolarHBondContact O-CB 3.5Å; S90-A94 PolarHBondContact O-N 2.89Å; A94-T96 VanDerWaalsContact C-N 3.3Å; A94-T96 PolarHBondContact O-N 2.78Å; A94-A97 PolarHBondContact O-N 3.32Å; A94-R98 WeakPolarHBondContact O-CB 3.18Å; A94-R98 PolarHBondContact O-N 3.39Å
95K87.3Confident85.6Confident105 Ų10563.9 Ų63.946%0.45737%0.374SS..Hα-helixtrans-56.5-44.6172.4173.9-174.1-179.7-175.60111.8R44 L91 V93 A99R44-K95 VanDerWaalsContact NH1-CG 3.34Å; L91-K95 WeakPolarHBondContact O-CB 3.21Å; L91-K95 PolarHBondContact O-N 3.25Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 2.99Å; K95-A99 WeakPolarHBondContact O-CB 2.98Å; K95-A99 PolarHBondContact O-N 2.97Å
96T88.9Confident86.7Confident94 Ų9461.2 Ų61.258%0.57736%0.357SS*.Hα-helixtrans-68.9-44.6-178.8-55.40000111.1N92 V93 A94 R98 A99 A100N92-T96 PolarHBondContact O-N 3.37Å; N92-T96 VanDerWaalsContact O-N 3.07Å; N92-T96 PolarHBondContact O-OG1 3.05Å; V93-T96 WeakPolarHBondContact O-CB 3.48Å; V93-T96 PolarHBondContact O-N 2.65Å; A94-T96 VanDerWaalsContact C-N 3.3Å; A94-T96 PolarHBondContact O-N 2.78Å; T96-R98 VanDerWaalsContact C-N 3.34Å; T96-R98 PolarHBondContact O-N 3.27Å; T96-A99 PolarHBondContact O-N 2.85Å; T96-A100 PolarHBondContact O-N 2.81Å
97A90.1Very high87.8Confident58 Ų5863.3 Ų63.348%0.47936%0.364SS..Hα-helixtrans-59.5-43.2175.500000111.9V93 A94 A100 A101V93-A97 PolarHBondContact O-N 3.01Å; A94-A97 PolarHBondContact O-N 3.32Å; A97-A100 PolarHBondContact O-N 3.05Å; A97-A101 WeakPolarHBondContact O-CB 3.34Å; A97-A101 PolarHBondContact O-N 3.3Å
98R88.4Confident88.5Confident108 Ų10862.5 Ų62.541%0.40838%0.376SS..Hα-helixtrans-66.4-38.8177.2-168.3171.9-177.9121.2-5.1112.7E40 A94 T96 A100 A101 R102E40-R98 IonicContact OE1-CZ 3.21Å; E40-R98 IonicContact OE1-NE 3.48Å; E40-R98 PolarHBondContact OE1-NE 3.45Å; E40-R98 IonicContact OE1-NH2 2.86Å; E40-R98 PolarHBondContact OE1-NH2 3.42Å; E40-R98 IonicContact OE2-NE 2.94Å; A94-R98 WeakPolarHBondContact O-CB 3.18Å; A94-R98 PolarHBondContact O-N 3.39Å; T96-R98 VanDerWaalsContact C-N 3.34Å; T96-R98 PolarHBondContact O-N 3.27Å; R98-A100 VanDerWaalsContact C-N 3.34Å; R98-A101 PolarHBondContact O-N 3.41Å; R98-R102 VanDerWaalsContact O-CB 3.3Å; R98-R102 WeakPolarHBondContact O-CB 3.38Å; R98-R102 PolarHBondContact O-N 3.35Å
99A88.6Confident89Confident50 Ų5060.5 Ų60.541%0.41337%0.369SS..Hα-helixtrans-63.2-40.6173.800000111.8K95 T96 E103K95-A99 WeakPolarHBondContact O-CB 2.98Å; K95-A99 PolarHBondContact O-N 2.97Å; T96-A99 PolarHBondContact O-N 2.85Å; A99-E103 PolarHBondContact O-N 3.13Å; A99-E103 VanDerWaalsContact O-N 3.09Å
100A89.6Confident89Confident52 Ų5263.2 Ų63.243%0.4337%0.367SS..Hα-helixtrans-67-43.2175.100000112.2T96 A97 R98 R102 E103 A104T96-A100 PolarHBondContact O-N 2.81Å; A97-A100 PolarHBondContact O-N 3.05Å; R98-A100 VanDerWaalsContact C-N 3.34Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 2.99Å; A100-E103 WeakPolarHBondContact O-CB 3.44Å; A100-E103 PolarHBondContact O-N 3.38Å; A100-A104 PolarHBondContact O-N 2.91Å
101A91.8Very high89.2Confident48 Ų4862.7 Ų62.740%0.39736%0.362SS..Hα-helixtrans-62.7-40.5176.300000112.2A97 R98 E103 A104 K105A97-A101 WeakPolarHBondContact O-CB 3.34Å; A97-A101 PolarHBondContact O-N 3.3Å; R98-A101 PolarHBondContact O-N 3.41Å; A101-E103 VanDerWaalsContact C-N 3.35Å; A101-A104 PolarHBondContact O-N 3.19Å; A101-K105 WeakPolarHBondContact O-CG 3.4Å; A101-K105 PolarHBondContact O-N 2.99Å
102R91.2Very high89.4Confident29 Ų2962.5 Ų62.511%0.10936%0.362CS..Hα-helixtrans-60.1-44.9174-176.3-174.7-65.3-88.59.2111.6D20 H23 E40 R98 A100 K105 F106D20-R102 HydrophobicContact CB-CG 3.73Å; D20-R102 WeakPolarHBondContact OD1-CG 3.42Å; D20-R102 IonicContact OD1-NH1 3.24Å; H23-R102 VanDerWaalsContact CB-CZ 3.41Å; H23-R102 VanDerWaalsContact CB-NH1 3.31Å; H23-R102 PolarHBondContact CD2-NH1 3.35Å; E40-R102 VanDerWaalsContact CD-NH2 3.3Å; E40-R102 IonicContact OE1-CZ 3.06Å; E40-R102 IonicContact OE1-NH2 3.98Å; E40-R102 PolarHBondContact OE1-NH2 3.25Å; E40-R102 IonicContact OE2-NH2 3.96Å; E40-R102 PolarHBondContact OE2-NH2 3.08Å; E40-R102 VanDerWaalsContact OE2-NH2 3.12Å; R98-R102 VanDerWaalsContact O-CB 3.3Å; R98-R102 WeakPolarHBondContact O-CB 3.38Å; R98-R102 PolarHBondContact O-N 3.35Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 2.99Å; R102-K105 PolarHBondContact O-N 3.24Å; R102-F106 PolarHBondContact O-N 3.41Å
103E91.1Very high89.4Confident38 Ų3861.4 Ų61.418%0.17836%0.358CS..Hα-helixtrans-63.1-44.2176-177.8169.6-139.500112.1L24 K30 A99 A100 A101 K105 F106 M107 Y115L24-E103 HydrophobicContact CD2-CB 3.9Å; L24-E103 HydrophobicContact CD2-CG 4.39Å; K30-E103 WeakPolarHBondContact CE-OE1 3.33Å; K30-E103 IonicContact NZ-OE1 3.79Å; K30-E103 PolarHBondContact NZ-OE1 3.48Å; K30-E103 IonicContact NZ-OE2 2.65Å; K30-E103 PolarHBondContact NZ-OE2 3.42Å; A99-E103 PolarHBondContact O-N 3.13Å; A99-E103 VanDerWaalsContact O-N 3.09Å; A100-E103 WeakPolarHBondContact O-CB 3.44Å; A100-E103 PolarHBondContact O-N 3.38Å; A101-E103 VanDerWaalsContact C-N 3.35Å; E103-K105 PolarHBondContact O-N 3.33Å; E103-F106 PolarHBondContact O-N 3.34Å; E103-M107 HydrophobicContact CG-CE 3.95Å; E103-M107 HydrophobicContact CG-SD 4.3Å; E103-M107 WeakPolarHBondContact O-CB 3.45Å; E103-M107 WeakPolarHBondContact O-CG 3.44Å; E103-M107 PolarHBondContact O-N 2.95Å; E103-Y115 HydrophobicContact CG-CE1 3.88Å; E103-Y115 WeakPolarHBondContact OE1-CE1 3.19Å
104A92.1Very high89.2Confident53 Ų5356.9 Ų56.944%0.43833%0.331SS..Hα-helixtrans-59.8-44.5175.300000112.1A100 A101 F106 M107 A108A100-A104 PolarHBondContact O-N 2.91Å; A101-A104 PolarHBondContact O-N 3.19Å; A104-F106 PolarHBondContact O-N 3.13Å; A104-M107 PolarHBondContact O-N 3.41Å; A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 3.39Å
105K93.1Very high89.3Confident134 Ų13456.5 Ų56.558%0.58333%0.326SS*.Hα-helixtrans-58.9-46.2174.9-74.1177.4-178.4-174.40111.9D20 A101 R102 E103 A108 T109D20-K105 WeakPolarHBondContact OD2-CB 3.39Å; A101-K105 WeakPolarHBondContact O-CG 3.4Å; A101-K105 PolarHBondContact O-N 2.99Å; R102-K105 PolarHBondContact O-N 3.24Å; E103-K105 PolarHBondContact O-N 3.33Å; K105-A108 PolarHBondContact O-N 3.07Å; K105-T109 WeakPolarHBondContact O-CG2 3.22Å
106F92.1Very high89.2Confident2 Ų257.9 Ų57.91%0.00933%0.332CS..Hα-helixtrans-62.5-47177.1177.6-113.5000112P18 D20 F21 L24 R102 E103 A104 A108 T109 Q111 G112 Y115P18-F106 HydrophobicContact CB-CD2 4.24Å; P18-F106 HydrophobicContact CG-CD2 4.13Å; P18-F106 HydrophobicContact CG-CE2 4.17Å; D20-F106 HydrophobicContact CB-CB 3.99Å; F21-F106 HydrophobicContact CB-CD2 3.91Å; F21-F106 HydrophobicContact CB-CE2 3.76Å; F21-F106 HydrophobicContact CB-CZ 4.33Å; F21-F106 HydrophobicContact CD2-CD1 4.46Å; F21-F106 HydrophobicContact CD2-CD2 4.39Å; F21-F106 AromaticContact CD2-CE1 3.8Å; F21-F106 HydrophobicContact CD2-CE1 3.8Å; F21-F106 AromaticContact CD2-CE2 3.74Å; F21-F106 HydrophobicContact CD2-CE2 3.74Å; F21-F106 AromaticContact CD2-CZ 3.4Å; F21-F106 HydrophobicContact CD2-CZ 3.4Å; F21-F106 VanDerWaalsContact CD2-CZ 3.4Å; F21-F106 HydrophobicContact CE2-CE1 4.41Å; F21-F106 HydrophobicContact CE2-CZ 4.09Å; F21-F106 HydrophobicContact CG-CE2 4.09Å; F21-F106 HydrophobicContact CG-CZ 4.2Å; L24-F106 HydrophobicContact CD1-CB 3.97Å; L24-F106 HydrophobicContact CD1-CD1 3.51Å; L24-F106 HydrophobicContact CD1-CE1 4.21Å; L24-F106 HydrophobicContact CD1-CG 3.81Å; R102-F106 PolarHBondContact O-N 3.41Å; E103-F106 PolarHBondContact O-N 3.34Å; A104-F106 PolarHBondContact O-N 3.13Å; F106-A108 PolarHBondContact O-N 2.89Å; F106-T109 WeakPolarHBondContact O-CB 3.47Å; F106-T109 PolarHBondContact O-N 2.71Å; F106-T109 PolarHBondContact O-OG1 3.1Å; F106-Q111 HydrophobicContact CE2-CB 4.14Å; F106-Q111 WeakPolarHBondContact CZ-O 3.27Å; F106-G112 VanDerWaalsContact CE1-CA 3.45Å; F106-G112 VanDerWaalsContact CZ-CA 3.49Å; F106-G112 WeakPolarHBondContact O-CA 3.5Å; F106-Y115 HydrophobicContact CD1-CD1 4.19Å; F106-Y115 HydrophobicContact CD1-CD2 4.02Å; F106-Y115 HydrophobicContact CD1-CE2 4.34Å; F106-Y115 AromaticContact CD1-CG 3.93Å; F106-Y115 HydrophobicContact CD1-CG 3.93Å; F106-Y115 HydrophobicContact CE1-CD1 4.37Å; F106-Y115 AromaticContact CE1-CD2 3.47Å; F106-Y115 HydrophobicContact CE1-CD2 3.47Å; F106-Y115 VanDerWaalsContact CE1-CD2 3.47Å; F106-Y115 HydrophobicContact CE1-CE2 4.04Å; F106-Y115 AromaticContact CE1-CG 3.64Å; F106-Y115 HydrophobicContact CE1-CG 3.64Å
107M90.4Very high89.1Confident78 Ų7854.1 Ų54.138%0.38431%0.308SS..Hα-helixtrans-63.6-27.5179.1-71.3-172.2-57.200113.4E103 A104 T109 Y115E103-M107 HydrophobicContact CG-CE 3.95Å; E103-M107 HydrophobicContact CG-SD 4.3Å; E103-M107 WeakPolarHBondContact O-CB 3.45Å; E103-M107 WeakPolarHBondContact O-CG 3.44Å; E103-M107 PolarHBondContact O-N 2.95Å; A104-M107 PolarHBondContact O-N 3.41Å; M107-T109 PolarHBondContact O-N 3.04Å; M107-Y115 HydrophobicContact CG-CD1 3.73Å; M107-Y115 HydrophobicContact CG-CG 4.48Å; M107-Y115 HydrophobicContact SD-CD1 4.05Å
108A90.6Very high88.9Confident89 Ų8951.5 Ų51.574%0.73629%0.286SS*.THydrogen-bonded Turntrans-71.1-12.3173.600000113.2A104 K105 F106A104-A108 WeakPolarHBondContact O-CB 3.35Å; A104-A108 PolarHBondContact O-N 3.39Å; K105-A108 PolarHBondContact O-N 3.07Å; F106-A108 PolarHBondContact O-N 2.89Å
109T88.9Confident88.6Confident42 Ų4248 Ų4826%0.25828%0.278SS..SBendtrans-86.3155.7175.375.60000112K105 F106 M107 Q111 G112K105-T109 WeakPolarHBondContact O-CG2 3.22Å; F106-T109 WeakPolarHBondContact O-CB 3.47Å; F106-T109 PolarHBondContact O-N 2.71Å; F106-T109 PolarHBondContact O-OG1 3.1Å; M107-T109 PolarHBondContact O-N 3.04Å; T109-Q111 PolarHBondContact O-N 2.91Å; T109-Q111 VanDerWaalsContact O-N 3.13Å; T109-Q111 PolarHBondContact OG1-N 3.05Å; T109-G112 PolarHBondContact O-N 2.99Å; T109-G112 VanDerWaalsContact O-N 3.08Å; T109-G112 PolarHBondContact OG1-N 3.36Å; T109-G112 VanDerWaalsContact OG1-N 3.08Å
110Y84.6Confident88.2Confident118 Ų11846.8 Ų46.846%0.46326%0.264SS..G310 helixtrans-55-27167.8174.8-99.6000113.3T113Y110-T113 PolarHBondContact O-OG1 3.42Å
111Q88.1Confident87.8Confident18 Ų1849.7 Ų49.78%0.08426%0.264CS..G310 helixtrans-82.7-22.1-178.2-61.6169.6-65.500112.3T16 P18 F106 T109 T113 T145T16-Q111 PolarHBondContact O-NE2 3.45Å; P18-Q111 HydrophobicContact CG-CB 4.45Å; F106-Q111 HydrophobicContact CE2-CB 4.14Å; F106-Q111 WeakPolarHBondContact CZ-O 3.27Å; T109-Q111 PolarHBondContact O-N 2.91Å; T109-Q111 VanDerWaalsContact O-N 3.13Å; T109-Q111 PolarHBondContact OG1-N 3.05Å; Q111-T113 VanDerWaalsContact C-N 3.31Å; Q111-T145 WeakPolarHBondContact CB-O 3.38Å; Q111-T145 WeakPolarHBondContact CG-O 3.2Å
112G89.1Confident87.4Confident4 Ų449.4 Ų49.44%0.04125%0.253CS..G310 helixtrans-86.21.6172.600000113.7F106 T109 G114 Y115F106-G112 VanDerWaalsContact CE1-CA 3.45Å; F106-G112 VanDerWaalsContact CZ-CA 3.49Å; F106-G112 WeakPolarHBondContact O-CA 3.5Å; T109-G112 PolarHBondContact O-N 2.99Å; T109-G112 VanDerWaalsContact O-N 3.08Å; T109-G112 PolarHBondContact OG1-N 3.36Å; T109-G112 VanDerWaalsContact OG1-N 3.08Å; G112-G114 PolarHBondContact O-N 3.35Å; G112-Y115 WeakPolarHBondContact O-CB 3.18Å; G112-Y115 PolarHBondContact O-N 2.82Å
113T85.8Confident87.2Confident51 Ų5148 Ų4831%0.31325%0.248SC..THydrogen-bonded Turntrans-66.1133.8177-34.50000110Y110 Q111 Y115 T253Y110-T113 PolarHBondContact O-OG1 3.42Å; Q111-T113 VanDerWaalsContact C-N 3.31Å; T113-Y115 PolarHBondContact O-N 3.27Å; T113-T253 HydrophobicContact CG2-CG2 3.17Å
114G85.2Confident87Confident6 Ų646.9 Ų46.96%0.06224%0.243CC..THydrogen-bonded Turntrans83-14.3-172.400000114.5G112 K116 E117G112-G114 PolarHBondContact O-N 3.35Å; G114-K116 PolarHBondContact O-N 3.5Å; G114-K116 VanDerWaalsContact O-N 3.08Å; G114-E117 WeakPolarHBondContact O-CB 3.03Å; G114-E117 PolarHBondContact O-N 2.88Å
115Y88Confident86.5Confident9 Ų945.6 Ų45.64%0.03524%0.235CC..G310 helixtrans-55.1-35.8-175.6-179.6-100.3000114.1L24 K30 S31 E103 F106 M107 G112 T113 E117 F118L24-Y115 HydrophobicContact CD1-CE1 4.33Å; L24-Y115 HydrophobicContact CD1-CE2 4.04Å; K30-Y115 WeakPolarHBondContact CB-OH 3.27Å; S31-Y115 WeakPolarHBondContact OG-CE2 3.46Å; E103-Y115 HydrophobicContact CG-CE1 3.88Å; E103-Y115 WeakPolarHBondContact OE1-CE1 3.19Å; F106-Y115 HydrophobicContact CD1-CD1 4.19Å; F106-Y115 HydrophobicContact CD1-CD2 4.02Å; F106-Y115 HydrophobicContact CD1-CE2 4.34Å; F106-Y115 AromaticContact CD1-CG 3.93Å; F106-Y115 HydrophobicContact CD1-CG 3.93Å; F106-Y115 HydrophobicContact CE1-CD1 4.37Å; F106-Y115 AromaticContact CE1-CD2 3.47Å; F106-Y115 HydrophobicContact CE1-CD2 3.47Å; F106-Y115 VanDerWaalsContact CE1-CD2 3.47Å; F106-Y115 HydrophobicContact CE1-CE2 4.04Å; F106-Y115 AromaticContact CE1-CG 3.64Å; F106-Y115 HydrophobicContact CE1-CG 3.64Å; M107-Y115 HydrophobicContact CG-CD1 3.73Å; M107-Y115 HydrophobicContact CG-CG 4.48Å; M107-Y115 HydrophobicContact SD-CD1 4.05Å; G112-Y115 WeakPolarHBondContact O-CB 3.18Å; G112-Y115 PolarHBondContact O-N 2.82Å; T113-Y115 PolarHBondContact O-N 3.27Å; Y115-E117 PolarHBondContact O-N 2.85Å; Y115-F118 HydrophobicContact CD2-CD2 4.11Å; Y115-F118 WeakPolarHBondContact O-CB 3.23Å; Y115-F118 PolarHBondContact O-N 3.13Å
116K86.3Confident86Confident134 Ų13443 Ų4358%0.58322%0.221SC*.G310 helixtrans-59.1-26.9176.368.3-179.3-176.6-178.90113.9G114 F118 C119G114-K116 PolarHBondContact O-N 3.5Å; G114-K116 VanDerWaalsContact O-N 3.08Å; K116-F118 VanDerWaalsContact C-N 3.26Å; K116-F118 PolarHBondContact O-N 3.17Å; K116-C119 PolarHBondContact O-SG 3.1Å
117E86.4Confident85.6Confident16 Ų1643.7 Ų43.78%0.07523%0.225CC..G310 helixtrans-79.7-11.2179.3-52-61.3146.900111.6G114 Y115 C119 S123 E252 V257G114-E117 WeakPolarHBondContact O-CB 3.03Å; G114-E117 PolarHBondContact O-N 2.88Å; Y115-E117 PolarHBondContact O-N 2.85Å; E117-C119 PolarHBondContact O-N 3.2Å; E117-S123 PolarHBondContact O-OG 2.88Å; E117-S123 VanDerWaalsContact O-OG 3.13Å; E117-E252 HydrophobicContact CB-CG 4.07Å; E117-E252 HydrophobicContact CG-CB 4.05Å; E117-E252 HydrophobicContact CG-CG 4.08Å; E117-V257 HydrophobicContact CB-CG2 4.31Å; E117-V257 HydrophobicContact CG-CG2 4.24Å
118F86.5Confident85Confident3 Ų343.3 Ų43.31%0.01323%0.234CC..G310 helixtrans-89.522.7176.8-45.7-36.9000113.1K29 Y115 K116 D120 N124 E252 Q294K29-F118 CarbonylContact C-O 3.43Å; Y115-F118 HydrophobicContact CD2-CD2 4.11Å; Y115-F118 WeakPolarHBondContact O-CB 3.23Å; Y115-F118 PolarHBondContact O-N 3.13Å; K116-F118 VanDerWaalsContact C-N 3.26Å; K116-F118 PolarHBondContact O-N 3.17Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-D120 PolarHBondContact O-N 2.8Å; F118-N124 PolarHBondContact O-ND2 3.14Å; F118-E252 HydrophobicContact CE1-CG 4.36Å; F118-Q294 HydrophobicContact CE1-CB 3.99Å; F118-Q294 HydrophobicContact CZ-CB 3.66Å
119C80.6Confident84.3Confident34 Ų3440.1 Ų40.123%0.2321%0.209CC..  trans-79.3-7.5-175.860.80000115.2K29 K116 E117 R299K29-C119 WeakPolarHBondContact CA-O 3.07Å; K29-C119 WeakPolarHBondContact CB-O 3.48Å; K29-C119 VanDerWaalsContact CG-O 3.29Å; K29-C119 WeakPolarHBondContact CG-O 3.24Å; K29-C119 VanDerWaalsContact O-CA 3.23Å; K29-C119 WeakPolarHBondContact O-CA 3.35Å; K116-C119 PolarHBondContact O-SG 3.1Å; E117-C119 PolarHBondContact O-N 3.2Å; C119-R299 PolarHBondContact SG-NE 3.36Å; C119-R299 VanDerWaalsContact SG-NE 3.37Å; C119-R299 PolarHBondContact SG-NH2 3.27Å
120D81.8Confident83.7Confident24 Ų2446 Ų4613%0.12823%0.234CC..SBendtrans-103154.4179.7-162-81.5000111.7K28 F118 R122 S123 N124K28-D120 CarbonylContact O-C 3.27Å; F118-D120 VanDerWaalsContact C-N 3.32Å; F118-D120 PolarHBondContact O-N 2.8Å; D120-R122 VanDerWaalsContact C-N 3.26Å; D120-R122 PolarHBondContact O-N 2.94Å; D120-R122 WeakPolarHBondContact OD1-CB 3.31Å; D120-R122 VanDerWaalsContact OD1-CG 3.31Å; D120-R122 WeakPolarHBondContact OD1-CG 3.39Å; D120-R122 IonicContact OD1-CZ 3.6Å; D120-R122 PolarHBondContact OD1-N 3.38Å; D120-R122 IonicContact OD1-NH1 3.33Å; D120-R122 PolarHBondContact OD1-NH1 3.37Å; D120-R122 IonicContact OD2-NH1 3.83Å; D120-R122 PolarHBondContact OD2-NH1 3.22Å; D120-S123 WeakPolarHBondContact O-CB 3.37Å; D120-S123 PolarHBondContact O-N 3.49Å; D120-N124 PolarHBondContact O-N 3.12Å; D120-N124 PolarHBondContact O-ND2 3.3Å
121W81.2Confident83.5Confident114 Ų11443.9 Ų43.943%0.43225%0.248SC..Hα-helixtrans-67-30.4176.373.8-89.5000111.7K28 S123 N124 G125 A314K28-W121 HydrophobicContact CB-CB 4.39Å; K28-W121 WeakPolarHBondContact O-CA 3.43Å; K28-W121 WeakPolarHBondContact O-CB 3.08Å; K28-W121 PolarHBondContact O-N 2.88Å; K28-W121 VanDerWaalsContact O-N 3.08Å; W121-S123 VanDerWaalsContact C-N 3.32Å; W121-S123 PolarHBondContact O-N 3.08Å; W121-N124 CarbonylContact O-C 3.53Å; W121-N124 PolarHBondContact O-N 3.36Å; W121-N124 VanDerWaalsContact O-N 3.09Å; W121-G125 WeakPolarHBondContact O-CA 3.39Å; W121-G125 PolarHBondContact O-N 3.1Å; W121-A314 HydrophobicContact CH2-CB 4.46Å
122R83.1Confident83.4Confident42 Ų4245.6 Ų45.616%0.15826%0.257CS..Hα-helixtrans-64.7-38.7175.2-63172.9-170.685.7-11.9111.5D120 N124 W297 H309D120-R122 VanDerWaalsContact C-N 3.26Å; D120-R122 PolarHBondContact O-N 2.94Å; D120-R122 WeakPolarHBondContact OD1-CB 3.31Å; D120-R122 VanDerWaalsContact OD1-CG 3.31Å; D120-R122 WeakPolarHBondContact OD1-CG 3.39Å; D120-R122 IonicContact OD1-CZ 3.6Å; D120-R122 PolarHBondContact OD1-N 3.38Å; D120-R122 IonicContact OD1-NH1 3.33Å; D120-R122 PolarHBondContact OD1-NH1 3.37Å; D120-R122 IonicContact OD2-NH1 3.83Å; D120-R122 PolarHBondContact OD2-NH1 3.22Å; R122-N124 PolarHBondContact O-N 2.93Å; R122-W297 HydrophobicContact CB-CB 4.11Å; R122-W297 HydrophobicContact CB-CD2 3.9Å; R122-W297 HydrophobicContact CB-CE3 4.41Å; R122-W297 HydrophobicContact CB-CG 3.77Å; R122-W297 PolarHBondContact O-NE1 3.36Å; R122-H309 PolarHBondContact NH2-NE2 3.06Å; R122-H309 VanDerWaalsContact NH2-NE2 3.13Å
123S86.5Confident83.5Confident0 Ų048.8 Ų48.80%028%0.276CS..Hα-helixtrans-58.5-38.4172-53.10000110.9E117 D120 W121 W126 R144 G295 W297E117-S123 PolarHBondContact O-OG 2.88Å; E117-S123 VanDerWaalsContact O-OG 3.13Å; D120-S123 WeakPolarHBondContact O-CB 3.37Å; D120-S123 PolarHBondContact O-N 3.49Å; W121-S123 VanDerWaalsContact C-N 3.32Å; W121-S123 PolarHBondContact O-N 3.08Å; S123-W126 PolarHBondContact O-NE1 3.02Å; S123-R144 PolarHBondContact O-NH2 2.8Å; S123-G295 WeakPolarHBondContact CA-O 3.48Å; S123-W297 PolarHBondContact OG-N 3.07Å
124N85.8Confident83.7Confident14 Ų1449 Ų498%0.07529%0.288CS..Hα-helixtrans-97.9-18.6-173.4-61.3-60.5000114.7S31 F118 D120 W121 R122 W126 I127 R144S31-N124 WeakPolarHBondContact CB-OD1 3.41Å; F118-N124 PolarHBondContact O-ND2 3.14Å; D120-N124 PolarHBondContact O-N 3.12Å; D120-N124 PolarHBondContact O-ND2 3.3Å; W121-N124 CarbonylContact O-C 3.53Å; W121-N124 PolarHBondContact O-N 3.36Å; W121-N124 VanDerWaalsContact O-N 3.09Å; R122-N124 PolarHBondContact O-N 2.93Å; N124-W126 VanDerWaalsContact C-N 3.35Å; N124-W126 PolarHBondContact O-N 3.3Å; N124-I127 PolarHBondContact O-N 3.24Å; N124-I127 VanDerWaalsContact O-N 3.13Å; N124-R144 PolarHBondContact OD1-NH1 2.72Å
125G82.8Confident84Confident26 Ų2655.5 Ų55.527%0.26832%0.316SS..Hα-helixtrans-61.7-40.3-169.300000112.9W121 I127 A128 G129W121-G125 WeakPolarHBondContact O-CA 3.39Å; W121-G125 PolarHBondContact O-N 3.1Å; G125-I127 PolarHBondContact O-N 2.97Å; G125-A128 CarbonylContact O-C 3.54Å; G125-A128 PolarHBondContact O-N 3.36Å; G125-A128 VanDerWaalsContact O-N 3.08Å; G125-G129 PolarHBondContact O-N 3.42Å
126W82.3Confident84.2Confident79 Ų7958.9 Ų58.930%0.29934%0.335SS..Hα-helixtrans-65.4-24.7179.769.2-89.3000113.4S123 N124 M132 A140S123-W126 PolarHBondContact O-NE1 3.02Å; N124-W126 VanDerWaalsContact C-N 3.35Å; N124-W126 PolarHBondContact O-N 3.3Å; W126-M132 HydrophobicContact CE3-CE 3.91Å; W126-M132 HydrophobicContact CZ3-CE 4.22Å; W126-M132 WeakPolarHBondContact O-CE 3.39Å; W126-A140 HydrophobicContact CH2-CB 3.41Å; W126-A140 VanDerWaalsContact CH2-CB 3.41Å; W126-A140 HydrophobicContact CZ2-CB 4.47Å; W126-A140 HydrophobicContact CZ3-CB 3.53Å
127I83.8Confident84.4Confident17 Ų1755.2 Ų55.29%0.08732%0.319CS..Hα-helixtrans-79.2-25176.6-57.5-176.4000111.6N124 G125 F137 A140 R144N124-I127 PolarHBondContact O-N 3.24Å; N124-I127 VanDerWaalsContact O-N 3.13Å; G125-I127 PolarHBondContact O-N 2.97Å; I127-F137 HydrophobicContact CG2-CD2 3.6Å; I127-F137 HydrophobicContact CG2-CE2 3.62Å; I127-A140 HydrophobicContact CD1-CB 4.16Å; I127-A140 HydrophobicContact CG1-CB 4.18Å; I127-R144 HydrophobicContact CD1-CG 4.08Å
128A77.7Confident84.6Confident70 Ų7055.6 Ų55.658%0.57932%0.321SS*.Hα-helixtrans-108.35.1-176.700000113.4G125G125-A128 CarbonylContact O-C 3.54Å; G125-A128 PolarHBondContact O-N 3.36Å; G125-A128 VanDerWaalsContact O-N 3.08Å
129G76.4Confident84.9Confident21 Ų2157.3 Ų57.322%0.21634%0.336CS..SBendtrans-80.5165.2-174.400000114.1G125 M132G125-G129 PolarHBondContact O-N 3.42Å; G129-M132 WeakPolarHBondContact O-CB 3.35Å; G129-M132 PolarHBondContact O-N 3.3Å
130E75.3Confident85.4Confident166 Ų16656 Ų5678%0.77633%0.328SS*.THydrogen-bonded Turntrans-62137.8171.7-67.3171.1-176.600109.8
131G80.1Confident85.8Confident74 Ų7455.3 Ų55.376%0.76332%0.324SS*.THydrogen-bonded Turntrans87.1-4.7-17500000115.8T133G131-T133 PolarHBondContact O-N 2.87Å; G131-T133 VanDerWaalsContact O-N 3.08Å
132M86.4Confident86.3Confident53 Ų5351.6 Ų51.626%0.26131%0.311SS..  trans-69.8105172.6-178.456.961.900110.9W126 G129 N136 F137W126-M132 HydrophobicContact CE3-CE 3.91Å; W126-M132 HydrophobicContact CZ3-CE 4.22Å; W126-M132 WeakPolarHBondContact O-CE 3.39Å; G129-M132 WeakPolarHBondContact O-CB 3.35Å; G129-M132 PolarHBondContact O-N 3.3Å; M132-N136 HydrophobicContact CE-CB 4.42Å; M132-N136 HydrophobicContact SD-CB 3.34Å; M132-N136 WeakPolarHBondContact SD-CB 3.35Å; M132-F137 HydrophobicContact CG-CB 3.99Å; M132-F137 HydrophobicContact SD-CB 4.18Å; M132-F137 PolarHBondContact SD-N 2.9Å
133T91.1Very high86.8Confident72 Ų7251.3 Ų51.344%0.44231%0.314SS..  trans-71.1156.7174.670.40000111.4G131 H135 N136 F137G131-T133 PolarHBondContact O-N 2.87Å; G131-T133 VanDerWaalsContact O-N 3.08Å; T133-H135 PolarHBondContact O-N 2.74Å; T133-N136 PolarHBondContact O-N 2.95Å; T133-N136 VanDerWaalsContact O-N 3.16Å; T133-N136 WeakPolarHBondContact OG1-CB 3.15Å; T133-N136 PolarHBondContact OG1-N 3.4Å; T133-N136 VanDerWaalsContact OG1-N 3.15Å; T133-N136 PolarHBondContact OG1-ND2 2.96Å; T133-F137 WeakPolarHBondContact O-CB 3.47Å; T133-F137 PolarHBondContact O-N 3.19Å
134G89.8Confident86.9Confident54 Ų5451.5 Ų51.556%0.55732%0.315SS*.Hα-helixtrans-56.2-37.6174.400000112.9F137 I138G134-F137 PolarHBondContact O-N 3.21Å; G134-I138 VanDerWaalsContact O-CG1 3.28Å; G134-I138 WeakPolarHBondContact O-CG1 3.17Å; G134-I138 PolarHBondContact O-N 2.86Å
135H92Very high87.1Confident144 Ų14451 Ų5167%0.66731%0.312SS*.Hα-helixtrans-62.7-49.7175.1-179.185.8000112.2T133 F137 I138 A139T133-H135 PolarHBondContact O-N 2.74Å; H135-F137 VanDerWaalsContact C-N 3.29Å; H135-F137 PolarHBondContact O-N 2.94Å; H135-I138 PolarHBondContact O-N 3.06Å; H135-A139 PolarHBondContact O-N 3.06Å
136N91.8Very high87.4Confident79 Ų7950.1 Ų50.142%0.42230%0.302SS..Hα-helixtrans-66-34.5179.8-71.9-15.4000111.6M132 T133 A139 A140M132-N136 HydrophobicContact CE-CB 4.42Å; M132-N136 HydrophobicContact SD-CB 3.34Å; M132-N136 WeakPolarHBondContact SD-CB 3.35Å; T133-N136 PolarHBondContact O-N 2.95Å; T133-N136 VanDerWaalsContact O-N 3.16Å; T133-N136 WeakPolarHBondContact OG1-CB 3.15Å; T133-N136 PolarHBondContact OG1-N 3.4Å; T133-N136 VanDerWaalsContact OG1-N 3.15Å; T133-N136 PolarHBondContact OG1-ND2 2.96Å; N136-A139 PolarHBondContact O-N 2.84Å; N136-A140 VanDerWaalsContact O-CB 3.28Å; N136-A140 WeakPolarHBondContact O-CB 3.37Å; N136-A140 PolarHBondContact O-N 2.99Å
137F90.8Very high87.8Confident57 Ų5746.7 Ų46.725%0.2529%0.289CS..Hα-helixtrans-62.4-46174.2178.4-100.1000111.4L33 I127 M132 T133 G134 H135 A140 L141L33-F137 HydrophobicContact CD2-CZ 4.48Å; I127-F137 HydrophobicContact CG2-CD2 3.6Å; I127-F137 HydrophobicContact CG2-CE2 3.62Å; M132-F137 HydrophobicContact CG-CB 3.99Å; M132-F137 HydrophobicContact SD-CB 4.18Å; M132-F137 PolarHBondContact SD-N 2.9Å; T133-F137 WeakPolarHBondContact O-CB 3.47Å; T133-F137 PolarHBondContact O-N 3.19Å; G134-F137 PolarHBondContact O-N 3.21Å; H135-F137 VanDerWaalsContact C-N 3.29Å; H135-F137 PolarHBondContact O-N 2.94Å; F137-A140 PolarHBondContact O-N 3.05Å; F137-L141 HydrophobicContact CD1-CD1 3.92Å; F137-L141 HydrophobicContact CE1-CD1 3.32Å; F137-L141 HydrophobicContact CE1-CG 4.19Å; F137-L141 HydrophobicContact CE2-CD1 4.44Å; F137-L141 HydrophobicContact CZ-CD1 3.63Å; F137-L141 HydrophobicContact CZ-CD2 4.48Å; F137-L141 HydrophobicContact CZ-CG 4.17Å; F137-L141 WeakPolarHBondContact O-CG 3.41Å; F137-L141 PolarHBondContact O-N 3.06Å
138I92.1Very high88.2Confident24 Ų2447.7 Ų47.712%0.12330%0.296CS..Hα-helixtrans-63-43.5175.9-68.2167.9000110.8V9 L10 G134 H135 L141 K142V9-I138 WeakPolarHBondContact O-CD1 3.28Å; L10-I138 HydrophobicContact CD2-CG1 3.98Å; L10-I138 WeakPolarHBondContact O-CG2 3.43Å; G134-I138 VanDerWaalsContact O-CG1 3.28Å; G134-I138 WeakPolarHBondContact O-CG1 3.17Å; G134-I138 PolarHBondContact O-N 2.86Å; H135-I138 PolarHBondContact O-N 3.06Å; I138-L141 PolarHBondContact O-N 2.96Å; I138-K142 HydrophobicContact CG2-CD 4.12Å; I138-K142 WeakPolarHBondContact O-CG 3.28Å; I138-K142 PolarHBondContact O-N 3.24Å
139A92.3Very high88.8Confident40 Ų4048.8 Ų48.833%0.33130%0.297SS..Hα-helixtrans-62-43.5176.900000111.9H135 N136 L141 K142 V143H135-A139 PolarHBondContact O-N 3.06Å; N136-A139 PolarHBondContact O-N 2.84Å; A139-L141 PolarHBondContact O-N 3.5Å; A139-K142 WeakPolarHBondContact O-CB 3.26Å; A139-K142 PolarHBondContact O-N 2.86Å; A139-V143 WeakPolarHBondContact O-CG2 3.13Å; A139-V143 PolarHBondContact O-N 3.17Å
140A90.8Very high89.5Confident6 Ų648.1 Ų48.15%0.0529%0.289CS..Hα-helixtrans-59.6-46.317600000111.8W126 I127 N136 F137 K142 V143 R144W126-A140 HydrophobicContact CH2-CB 3.41Å; W126-A140 VanDerWaalsContact CH2-CB 3.41Å; W126-A140 HydrophobicContact CZ2-CB 4.47Å; W126-A140 HydrophobicContact CZ3-CB 3.53Å; I127-A140 HydrophobicContact CD1-CB 4.16Å; I127-A140 HydrophobicContact CG1-CB 4.18Å; N136-A140 VanDerWaalsContact O-CB 3.28Å; N136-A140 WeakPolarHBondContact O-CB 3.37Å; N136-A140 PolarHBondContact O-N 2.99Å; F137-A140 PolarHBondContact O-N 3.05Å; A140-K142 PolarHBondContact O-N 2.94Å; A140-V143 PolarHBondContact O-N 3.04Å; A140-R144 WeakPolarHBondContact O-CB 3.33Å; A140-R144 WeakPolarHBondContact O-CG 3.31Å; A140-R144 PolarHBondContact O-N 2.72Å
141L90.4Very high90.2Very high10 Ų1044 Ų445%0.05227%0.266CS..Hα-helixtrans-61-44.5175-73.2177000111.6L10 F21 L33 F137 I138 A139 V143 R144 T145L10-L141 HydrophobicContact CD1-CD1 4.19Å; L10-L141 HydrophobicContact CD2-CD1 3.55Å; F21-L141 HydrophobicContact CE1-CD2 4.21Å; F21-L141 HydrophobicContact CZ-CD2 3.98Å; L33-L141 HydrophobicContact CD2-CD1 3.75Å; L33-L141 HydrophobicContact CD2-CD2 4Å; F137-L141 HydrophobicContact CD1-CD1 3.92Å; F137-L141 HydrophobicContact CE1-CD1 3.32Å; F137-L141 HydrophobicContact CE1-CG 4.19Å; F137-L141 HydrophobicContact CE2-CD1 4.44Å; F137-L141 HydrophobicContact CZ-CD1 3.63Å; F137-L141 HydrophobicContact CZ-CD2 4.48Å; F137-L141 HydrophobicContact CZ-CG 4.17Å; F137-L141 WeakPolarHBondContact O-CG 3.41Å; F137-L141 PolarHBondContact O-N 3.06Å; I138-L141 PolarHBondContact O-N 2.96Å; A139-L141 PolarHBondContact O-N 3.5Å; L141-V143 VanDerWaalsContact C-N 3.29Å; L141-V143 PolarHBondContact O-N 3.41Å; L141-R144 WeakPolarHBondContact O-CB 3.49Å; L141-R144 PolarHBondContact O-N 3.28Å; L141-T145 PolarHBondContact O-N 3.42Å; L141-T145 PolarHBondContact O-OG1 3.13Å
142K92.2Very high90.6Very high35 Ų3543.2 Ų43.215%0.15224%0.244CC..Hα-helixtrans-59.2-40.9176.5-75.9174177-178.50111.9L10 H11 L12 I138 A139 A140 S146 L147 V148L10-K142 WeakPolarHBondContact O-CE 3.12Å; L10-K142 PolarHBondContact O-NZ 3.37Å; H11-K142 WeakPolarHBondContact O-CE 3.28Å; H11-K142 PolarHBondContact O-NZ 3.03Å; L12-K142 HydrophobicContact CD2-CD 4.44Å; L12-K142 HydrophobicContact CD2-CG 3.98Å; I138-K142 HydrophobicContact CG2-CD 4.12Å; I138-K142 WeakPolarHBondContact O-CG 3.28Å; I138-K142 PolarHBondContact O-N 3.24Å; A139-K142 WeakPolarHBondContact O-CB 3.26Å; A139-K142 PolarHBondContact O-N 2.86Å; A140-K142 PolarHBondContact O-N 2.94Å; K142-S146 CarbonylContact O-C 3.57Å; K142-S146 PolarHBondContact O-N 3.09Å; K142-L147 HydrophobicContact CG-CB 4.41Å; K142-L147 PolarHBondContact O-N 3.08Å; K142-V148 HydrophobicContact CB-CG2 3.94Å; K142-V148 PolarHBondContact O-N 2.89Å
143V92Very high90.6Very high37 Ų3743.6 Ų43.622%0.22424%0.243CC..Hα-helixtrans-66.9-46.1175.91710000111A139 A140 L141 T145 S146 V148 L181 Q294A139-V143 WeakPolarHBondContact O-CG2 3.13Å; A139-V143 PolarHBondContact O-N 3.17Å; A140-V143 PolarHBondContact O-N 3.04Å; L141-V143 VanDerWaalsContact C-N 3.29Å; L141-V143 PolarHBondContact O-N 3.41Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 2.91Å; V143-S146 PolarHBondContact O-N 2.61Å; V143-V148 HydrophobicContact CG2-CG2 3.79Å; V143-L181 HydrophobicContact CB-CD2 4.49Å; V143-L181 HydrophobicContact CG1-CD2 4.36Å; V143-L181 HydrophobicContact CG2-CD2 4.5Å; V143-Q294 HydrophobicContact CG1-CB 4.03Å; V143-Q294 HydrophobicContact CG1-CG 3.95Å; V143-Q294 PolarHBondContact O-NE2 3.46Å
144R89.1Confident90.2Very high4 Ų443.8 Ų43.82%0.01525%0.252CS..Hα-helixtrans-58.6-37.5179.8-78.6-98.7162.6127.37.3114.1S123 N124 I127 A140 L141 Q294S123-R144 PolarHBondContact O-NH2 2.8Å; N124-R144 PolarHBondContact OD1-NH1 2.72Å; I127-R144 HydrophobicContact CD1-CG 4.08Å; A140-R144 WeakPolarHBondContact O-CB 3.33Å; A140-R144 WeakPolarHBondContact O-CG 3.31Å; A140-R144 PolarHBondContact O-N 2.72Å; L141-R144 WeakPolarHBondContact O-CB 3.49Å; L141-R144 PolarHBondContact O-N 3.28Å; R144-Q294 PolarHBondContact NE-O 3.43Å; R144-Q294 VanDerWaalsContact NE-O 3.13Å
145T89.6Confident89.7Confident3 Ų343.4 Ų43.42%0.01824%0.237CC..THydrogen-bonded Turntrans-103.711.9-177.263.60000112.6L17 F21 Q111 L141 V143 L147L17-T145 HydrophobicContact CD1-CG2 4.3Å; F21-T145 HydrophobicContact CD1-CG2 4.18Å; F21-T145 HydrophobicContact CD2-CG2 3.97Å; F21-T145 HydrophobicContact CE1-CG2 3.8Å; F21-T145 HydrophobicContact CE2-CG2 3.59Å; F21-T145 HydrophobicContact CG-CG2 4.23Å; F21-T145 HydrophobicContact CZ-CG2 3.49Å; F21-T145 VanDerWaalsContact CZ-CG2 3.49Å; Q111-T145 WeakPolarHBondContact CB-O 3.38Å; Q111-T145 WeakPolarHBondContact CG-O 3.2Å; L141-T145 PolarHBondContact O-N 3.42Å; L141-T145 PolarHBondContact O-OG1 3.13Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 2.91Å; T145-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact O-N 3.13Å; T145-L147 WeakPolarHBondContact OG1-CB 3.36Å; T145-L147 VanDerWaalsContact OG1-CD1 3.24Å; T145-L147 WeakPolarHBondContact OG1-CD1 3.39Å; T145-L147 VanDerWaalsContact OG1-CG 3.25Å; T145-L147 WeakPolarHBondContact OG1-CG 3.49Å
146S89.4Confident88.4Confident7 Ų743.3 Ų43.35%0.04923%0.234CC..THydrogen-bonded Turntrans51.836.6-176.1-57.10000113.4K142 V143 Q294K142-S146 CarbonylContact O-C 3.57Å; K142-S146 PolarHBondContact O-N 3.09Å; V143-S146 PolarHBondContact O-N 2.61Å; S146-Q294 PolarHBondContact OG-NE2 3.41Å
147L90.8Very high86.9Confident7 Ų743.8 Ų43.84%0.03724%0.244CC..  trans-101.88.6-179.8-76.7-178.6000113.4L12 L17 K142 T145L12-L147 HydrophobicContact CD1-CD1 3.63Å; L12-L147 HydrophobicContact CD2-CB 3.78Å; L12-L147 HydrophobicContact CD2-CD1 3.78Å; L12-L147 HydrophobicContact CD2-CG 4.29Å; L12-L147 HydrophobicContact CG-CD1 4.34Å; L17-L147 HydrophobicContact CB-CD1 4.48Å; L17-L147 HydrophobicContact CD1-CD1 3.69Å; K142-L147 HydrophobicContact CG-CB 4.41Å; K142-L147 PolarHBondContact O-N 3.08Å; T145-L147 PolarHBondContact O-N 3.32Å; T145-L147 VanDerWaalsContact O-N 3.13Å; T145-L147 WeakPolarHBondContact OG1-CB 3.36Å; T145-L147 VanDerWaalsContact OG1-CD1 3.24Å; T145-L147 WeakPolarHBondContact OG1-CD1 3.39Å; T145-L147 VanDerWaalsContact OG1-CG 3.25Å; T145-L147 WeakPolarHBondContact OG1-CG 3.49Å
148V91.8Very high85.6Confident38 Ų3852.7 Ų52.723%0.2328%0.275CS..SBendtrans-58.7132.3169.2178.70000108.9K142 V143 T150 L181K142-V148 HydrophobicContact CB-CG2 3.94Å; K142-V148 PolarHBondContact O-N 2.89Å; V143-V148 HydrophobicContact CG2-CG2 3.79Å; V148-T150 HydrophobicContact CG1-CG2 4.41Å; V148-T150 PolarHBondContact O-N 3.47Å; V148-L181 HydrophobicContact CB-CD1 4.01Å; V148-L181 HydrophobicContact CB-CD2 4.13Å; V148-L181 HydrophobicContact CG1-CD1 4.18Å; V148-L181 HydrophobicContact CG2-CD1 3.89Å; V148-L181 HydrophobicContact CG2-CD2 3.73Å; V148-L181 HydrophobicContact CG2-CG 4.43Å
149P90.3Very high84.3Confident94 Ų9453.6 Ų53.661%0.6128%0.283SS*.  trans-65.592.5-179.6-22.934.2000113.1
150T91.7Very high83.3Confident6 Ų659.8 Ų59.84%0.03731%0.305CS..  trans-110.216117176.90000111V148 L152 R153 A154 E179 L181 I184V148-T150 HydrophobicContact CG1-CG2 4.41Å; V148-T150 PolarHBondContact O-N 3.47Å; T150-L152 VanDerWaalsContact C-N 3.3Å; T150-L152 PolarHBondContact O-N 2.79Å; T150-R153 PolarHBondContact O-N 2.95Å; T150-R153 PolarHBondContact OG1-N 3.25Å; T150-A154 WeakPolarHBondContact O-CB 3.5Å; T150-A154 PolarHBondContact O-N 3.01Å; T150-E179 WeakPolarHBondContact CA-OE1 3.49Å; T150-E179 WeakPolarHBondContact CB-O 3.08Å; T150-E179 PolarHBondContact OG1-O 2.97Å; T150-L181 HydrophobicContact CG2-CB 4.45Å; T150-I184 HydrophobicContact CG2-CD1 3.95Å
151R90.4Very high82.2Confident81 Ų8168.4 Ų68.431%0.30635%0.35SS..Hα-helixtrans-57.6-42.8176.1-72.7172.1155178.11.3112R153 A154 L155 R165 L167 R169 E179R151-R153 PolarHBondContact O-N 2.75Å; R151-A154 PolarHBondContact O-N 3.19Å; R151-L155 WeakPolarHBondContact O-CB 3.14Å; R151-L155 PolarHBondContact O-N 3.28Å; R151-R165 VanDerWaalsContact CD-O 3.23Å; R151-R165 WeakPolarHBondContact CD-O 3.37Å; R151-L167 WeakPolarHBondContact CD-O 3.1Å; R151-L167 PolarHBondContact NH1-O 3.08Å; R151-R169 HydrophobicContact CG-CG 4.3Å; R151-R169 VanDerWaalsContact CZ-CG 3.42Å; R151-R169 VanDerWaalsContact NE-CG 3.29Å; R151-E179 HydrophobicContact CB-CB 3.89Å; R151-E179 HydrophobicContact CG-CB 4.38Å; R151-E179 PolarHBondContact N-OE1 3.49Å
152L87.6Confident81.2Confident56 Ų5671.1 Ų71.129%0.29338%0.38SS..Hα-helixtrans-60.7-30.9175.8-170.167.2000112.2T150 P159 V166 E179T150-L152 VanDerWaalsContact C-N 3.3Å; T150-L152 PolarHBondContact O-N 2.79Å; L152-P159 HydrophobicContact CD1-CG 4.25Å; L152-V166 HydrophobicContact CD1-CB 4.5Å; L152-V166 HydrophobicContact CD1-CG1 4.42Å; L152-E179 WeakPolarHBondContact CB-O 3.43Å; L152-E179 PolarHBondContact N-O 3.25Å
153R85.9Confident80.8Confident61 Ų6170.7 Ų70.723%0.2338%0.379CS..Hα-helixtrans-80.8-36.8176.6-177.658.1-174.5171.30113T16 T150 R151T16-R153 PolarHBondContact O-NH2 2.95Å; T150-R153 PolarHBondContact O-N 2.95Å; T150-R153 PolarHBondContact OG1-N 3.25Å; R151-R153 PolarHBondContact O-N 2.75Å
154A84.1Confident80.4Confident76 Ų7677.5 Ų77.563%0.62840%0.401SS*.Hα-helixtrans-69.8-39.7-179.400000111.6T150 R151 K156T150-A154 WeakPolarHBondContact O-CB 3.5Å; T150-A154 PolarHBondContact O-N 3.01Å; R151-A154 PolarHBondContact O-N 3.19Å; A154-K156 VanDerWaalsContact C-N 3.28Å; A154-K156 PolarHBondContact O-N 3.32Å
155L77.8Confident80.4Confident47 Ų4785.2 Ų85.225%0.24643%0.43CS..  trans-81.178.2172.9-63.4165.3000108R151 S157 R165 V166R151-L155 WeakPolarHBondContact O-CB 3.14Å; R151-L155 PolarHBondContact O-N 3.28Å; L155-S157 PolarHBondContact O-N 3.19Å; L155-S157 VanDerWaalsContact O-O 3.13Å; L155-R165 HydrophobicContact CD1-CB 3.7Å; L155-R165 WeakPolarHBondContact CD1-O 3.19Å; L155-V166 HydrophobicContact CB-CG1 4.43Å; L155-V166 HydrophobicContact CD1-CB 4.43Å; L155-V166 HydrophobicContact CD1-CG1 3.49Å; L155-V166 VanDerWaalsContact CD1-CG1 3.49Å
156K65.3Low80.5Confident142 Ų14285.7 Ų85.762%0.61743%0.432SS*.  trans-59-23.7-178.7-70.7-177.1177.8179.60113.3A154A154-K156 VanDerWaalsContact C-N 3.28Å; A154-K156 PolarHBondContact O-N 3.32Å
157S59.6Low80.6Confident88 Ų8886.6 Ų86.662%0.61544%0.437SS*.SBendtrans-71.2144.8176.511.40000110.4L155 P159L155-S157 PolarHBondContact O-N 3.19Å; L155-S157 VanDerWaalsContact O-O 3.13Å; S157-P159 WeakPolarHBondContact O-CD 3.45Å
158R64.2Low80.8Confident244 Ų24486.6 Ų86.692%0.92144%0.437SS*.  trans-56.3105.9168.5-73.7-174.7-177-162.81.8107.2
159P64.1Low80.9Confident44 Ų4491.2 Ų91.229%0.28645%0.45SS..PPolyproline II helixtrans-69139178.128-24.8000106.8L152 S157 D163 V166L152-P159 HydrophobicContact CD1-CG 4.25Å; S157-P159 WeakPolarHBondContact O-CD 3.45Å; P159-D163 HydrophobicContact CB-CB 3.94Å; P159-V166 HydrophobicContact CB-CG1 3.4Å; P159-V166 VanDerWaalsContact CB-CG1 3.4Å; P159-V166 HydrophobicContact CB-CG2 4.48Å; P159-V166 HydrophobicContact CG-CG1 3.56Å
160E71.9Confident81.1Confident169 Ų16993.9 Ų93.979%0.7945%0.452SS*.PPolyproline II helixtrans-55.4146.6170.7-68.2-176.4177.200109.3G162 D163E160-G162 PolarHBondContact O-N 2.96Å; E160-D163 WeakPolarHBondContact O-CB 3.43Å; E160-D163 PolarHBondContact O-N 3.21Å
161L67Low81.3Confident188 Ų18893.9 Ų93.998%0.98445%0.453SS*.THydrogen-bonded Turntrans-57.4118.3178.1-147.3104.2000108
162G69.9Low81.4Confident66 Ų6690.1 Ų90.168%0.6844%0.439SS*.THydrogen-bonded Turntrans94.15.4-176.300000116.1E160 R164E160-G162 PolarHBondContact O-N 2.96Å; G162-R164 PolarHBondContact O-N 3.36Å
163D83.2Confident81.6Confident26 Ų2693.5 Ų93.514%0.13946%0.462CS..  trans-56.7112.2173.7-173.4-16.6000111P159 E160 R165 V166P159-D163 HydrophobicContact CB-CB 3.94Å; E160-D163 WeakPolarHBondContact O-CB 3.43Å; E160-D163 PolarHBondContact O-N 3.21Å; D163-R165 PolarHBondContact O-N 3.36Å; D163-R165 WeakPolarHBondContact OD1-CB 3.38Å; D163-R165 VanDerWaalsContact OD1-CG 3.3Å; D163-R165 WeakPolarHBondContact OD1-CG 3.05Å; D163-R165 IonicContact OD1-CZ 2.66Å; D163-R165 PolarHBondContact OD1-N 3.44Å; D163-R165 IonicContact OD1-NE 3.82Å; D163-R165 PolarHBondContact OD1-NE 3.28Å; D163-R165 IonicContact OD1-NH2 3.87Å; D163-R165 IonicContact OD2-CZ 2.8Å; D163-R165 VanDerWaalsContact OD2-CZ 3.31Å; D163-R165 IonicContact OD2-NE 4Å; D163-R165 PolarHBondContact OD2-NE 2.87Å; D163-R165 IonicContact OD2-NH2 3.85Å; D163-R165 PolarHBondContact OD2-NH2 3.46Å; D163-V166 HydrophobicContact CB-CG2 4.45Å; D163-V166 WeakPolarHBondContact O-CG2 3.3Å; D163-V166 PolarHBondContact O-N 2.93Å
164R85.3Confident82Confident180 Ų18097 Ų9768%0.67949%0.49SS*.G310 helixtrans-60.3-23.2-178.4-65176.963.282.3-2.9112.7G162 V166 L167G162-R164 PolarHBondContact O-N 3.36Å; R164-V166 VanDerWaalsContact C-N 3.27Å; R164-V166 PolarHBondContact O-N 3.25Å; R164-L167 HydrophobicContact CB-CD1 4.25Å; R164-L167 HydrophobicContact CG-CD1 4.3Å; R164-L167 WeakPolarHBondContact O-CB 3.02Å; R164-L167 PolarHBondContact O-N 3.2Å
165R88.3Confident82.4Confident167 Ų16796.3 Ų96.363%0.6348%0.48SS*.G310 helixtrans-71.4-20179.6-57.7174.8-65.2-173.80112.8R151 L155 D163R151-R165 VanDerWaalsContact CD-O 3.23Å; R151-R165 WeakPolarHBondContact CD-O 3.37Å; L155-R165 HydrophobicContact CD1-CB 3.7Å; L155-R165 WeakPolarHBondContact CD1-O 3.19Å; D163-R165 PolarHBondContact O-N 3.36Å; D163-R165 WeakPolarHBondContact OD1-CB 3.38Å; D163-R165 VanDerWaalsContact OD1-CG 3.3Å; D163-R165 WeakPolarHBondContact OD1-CG 3.05Å; D163-R165 IonicContact OD1-CZ 2.66Å; D163-R165 PolarHBondContact OD1-N 3.44Å; D163-R165 IonicContact OD1-NE 3.82Å; D163-R165 PolarHBondContact OD1-NE 3.28Å; D163-R165 IonicContact OD1-NH2 3.87Å; D163-R165 IonicContact OD2-CZ 2.8Å; D163-R165 VanDerWaalsContact OD2-CZ 3.31Å; D163-R165 IonicContact OD2-NE 4Å; D163-R165 PolarHBondContact OD2-NE 2.87Å; D163-R165 IonicContact OD2-NH2 3.85Å; D163-R165 PolarHBondContact OD2-NH2 3.46Å
166V91Very high83.1Confident12 Ų1296.4 Ų96.47%0.07349%0.493CS..G310 helixtrans-88.5-16174.9-59.90000113.6L152 L155 P159 D163 R164 P178 E179L152-V166 HydrophobicContact CD1-CB 4.5Å; L152-V166 HydrophobicContact CD1-CG1 4.42Å; L155-V166 HydrophobicContact CB-CG1 4.43Å; L155-V166 HydrophobicContact CD1-CB 4.43Å; L155-V166 HydrophobicContact CD1-CG1 3.49Å; L155-V166 VanDerWaalsContact CD1-CG1 3.49Å; P159-V166 HydrophobicContact CB-CG1 3.4Å; P159-V166 VanDerWaalsContact CB-CG1 3.4Å; P159-V166 HydrophobicContact CB-CG2 4.48Å; P159-V166 HydrophobicContact CG-CG1 3.56Å; D163-V166 HydrophobicContact CB-CG2 4.45Å; D163-V166 WeakPolarHBondContact O-CG2 3.3Å; D163-V166 PolarHBondContact O-N 2.93Å; R164-V166 VanDerWaalsContact C-N 3.27Å; R164-V166 PolarHBondContact O-N 3.25Å; V166-P178 HydrophobicContact CG2-CB 4.2Å; V166-P178 CarbonylContact O-C 3.57Å; V166-P178 WeakPolarHBondContact O-CA 3.44Å; V166-E179 PolarHBondContact O-N 3.02Å
167L92.7Very high84.4Confident26 Ų2690.6 Ų90.614%0.13647%0.471CS..BIsolated β-bridgetrans-58.7147-176.3-63.5179.5000111.6R151 R164 R169 G176 A177R151-L167 WeakPolarHBondContact CD-O 3.1Å; R151-L167 PolarHBondContact NH1-O 3.08Å; R164-L167 HydrophobicContact CB-CD1 4.25Å; R164-L167 HydrophobicContact CG-CD1 4.3Å; R164-L167 WeakPolarHBondContact O-CB 3.02Å; R164-L167 PolarHBondContact O-N 3.2Å; L167-R169 PolarHBondContact O-N 3.13Å; L167-G176 VanDerWaalsContact CD2-O 3.24Å; L167-G176 WeakPolarHBondContact CD2-O 3.22Å; L167-A177 WeakPolarHBondContact CA-O 3.43Å
168C94.7Very high85.9Confident7 Ų789.2 Ų89.25%0.04746%0.46CS..  trans-48126.7173.8178.30000111.1K170 C171 G172 A177 E179 H183C168-K170 PolarHBondContact O-N 3.25Å; C168-K170 VanDerWaalsContact O-N 3.07Å; C168-C171 PolarHBondContact SG-N 3.32Å; C168-G172 WeakPolarHBondContact O-CA 3.41Å; C168-G172 PolarHBondContact O-N 3.05Å; C168-A177 PolarHBondContact N-O 3.38Å; C168-E179 HydrophobicContact CB-CB 4.47Å; C168-H183 WeakPolarHBondContact CB-NE2 3.25Å; C168-H183 PolarHBondContact SG-NE2 2.86Å; C168-H183 VanDerWaalsContact SG-NE2 3.43Å
169R94.2Very high87.3Confident135 Ų13577.9 Ų77.951%0.50942%0.418SS..THydrogen-bonded Turntrans-57.8-24.9179.7-74.5165.2-176.3131.7-9.3113.2R151 L167 E179R151-R169 HydrophobicContact CG-CG 4.3Å; R151-R169 VanDerWaalsContact CZ-CG 3.42Å; R151-R169 VanDerWaalsContact NE-CG 3.29Å; L167-R169 PolarHBondContact O-N 3.13Å; R169-E179 WeakPolarHBondContact CB-OE2 3.35Å; R169-E179 WeakPolarHBondContact CD-OE2 3.31Å; R169-E179 WeakPolarHBondContact CG-OE2 3.42Å; R169-E179 IonicContact CZ-OE1 3.04Å; R169-E179 PolarHBondContact N-OE2 3.2Å; R169-E179 IonicContact NE-OE1 3.09Å; R169-E179 IonicContact NE-OE2 3.31Å; R169-E179 IonicContact NH1-OE1 3.95Å; R169-E179 PolarHBondContact NH1-OE1 3.01Å; R169-E179 IonicContact NH1-OE2 2.73Å
170K95Very high88.6Confident150 Ų15076.7 Ų76.765%0.65241%0.41SS*.THydrogen-bonded Turntrans-102.9-60.8-175.3-61.2-63.5-172.7177.90112.5C168 F190C168-K170 PolarHBondContact O-N 3.25Å; C168-K170 VanDerWaalsContact O-N 3.07Å; K170-F190 VanDerWaalsContact C-CE2 3.5Å; K170-F190 HydrophobicContact CB-CB 3.88Å; K170-F190 HydrophobicContact CB-CD1 4.23Å; K170-F190 HydrophobicContact CB-CD2 3.69Å; K170-F190 HydrophobicContact CB-CE2 4.28Å; K170-F190 HydrophobicContact CB-CG 3.66Å; K170-F190 HydrophobicContact CG-CB 4.44Å; K170-F190 VanDerWaalsContact O-CE2 3.32Å; K170-F190 WeakPolarHBondContact O-CE2 3.32Å
171C95.4Very high89.6Confident6 Ų669.5 Ų69.54%0.04138%0.377CS..THydrogen-bonded Turntrans-98.50.1-179.764.30000114.9C168 V173 V174 S175 H183 F190C168-C171 PolarHBondContact SG-N 3.32Å; C171-V173 PolarHBondContact O-N 3.02Å; C171-V174 PolarHBondContact O-N 2.65Å; C171-S175 WeakPolarHBondContact O-CB 3.48Å; C171-S175 PolarHBondContact O-N 3.03Å; C171-S175 PolarHBondContact O-OG 3.43Å; C171-S175 PolarHBondContact SG-OG 3.18Å; C171-H183 PolarHBondContact SG-CE1 2.73Å; C171-H183 PolarHBondContact SG-NE2 3.04Å; C171-F190 HydrophobicContact CB-CD2 3.66Å; C171-F190 HydrophobicContact CB-CE2 3.67Å
172G93.3Very high90.8Very high2 Ų261.8 Ų61.82%0.02134%0.339CS..Hα-helixtrans-58.9-34.3-169.900000113.9C168 V174 G176C168-G172 WeakPolarHBondContact O-CA 3.41Å; C168-G172 PolarHBondContact O-N 3.05Å; G172-V174 VanDerWaalsContact C-N 3.34Å; G172-V174 PolarHBondContact O-N 3.16Å; G172-G176 WeakPolarHBondContact O-CA 3.35Å; G172-G176 PolarHBondContact O-N 3.37Å
173V91.9Very high92Very high127 Ų12759.4 Ų59.477%0.7731%0.31SS*.Hα-helixtrans-63.5-38.6176.8178.40000112.2C171C171-V173 PolarHBondContact O-N 3.02Å
174V93Very high92.5Very high135 Ų13560.5 Ų60.582%0.81832%0.315SS*.Hα-helixtrans-91.4-42.2-176-178.70000111.6C171 G172C171-V174 PolarHBondContact O-N 2.65Å; G172-V174 VanDerWaalsContact C-N 3.34Å; G172-V174 PolarHBondContact O-N 3.16Å
175S92.8Very high92.9Very high61 Ų6152.9 Ų52.943%0.42729%0.29SS..Hα-helixtrans-89.2-18-173.162.70000114.6C171 A177C171-S175 WeakPolarHBondContact O-CB 3.48Å; C171-S175 PolarHBondContact O-N 3.03Å; C171-S175 PolarHBondContact O-OG 3.43Å; C171-S175 PolarHBondContact SG-OG 3.18Å; S175-A177 PolarHBondContact O-N 2.78Å; S175-A177 WeakPolarHBondContact OG-CB 3.5Å; S175-A177 PolarHBondContact OG-N 3.16Å
176G91.9Very high93.2Very high50 Ų5046.9 Ų46.952%0.51527%0.269SS..  trans63.84.6-169.400000114.7L167 G172L167-G176 VanDerWaalsContact CD2-O 3.24Å; L167-G176 WeakPolarHBondContact CD2-O 3.22Å; G172-G176 WeakPolarHBondContact O-CA 3.35Å; G172-G176 PolarHBondContact O-N 3.37Å
177A92.5Very high93.4Very high20 Ų2051.9 Ų51.917%0.16530%0.295CS..  trans-79.6138.9-17300000112.5L167 C168 S175 H183L167-A177 WeakPolarHBondContact CA-O 3.43Å; C168-A177 PolarHBondContact N-O 3.38Å; S175-A177 PolarHBondContact O-N 2.78Å; S175-A177 WeakPolarHBondContact OG-CB 3.5Å; S175-A177 PolarHBondContact OG-N 3.16Å; A177-H183 VanDerWaalsContact CB-CE1 3.44Å; A177-H183 WeakPolarHBondContact CB-CE1 3.24Å
178P92.4Very high93.6Very high58 Ų5850.8 Ų50.838%0.37729%0.289SS..BIsolated β-bridgetrans-70.4147172.529.5-34.3000111.7V166 S180V166-P178 HydrophobicContact CG2-CB 4.2Å; V166-P178 CarbonylContact O-C 3.57Å; V166-P178 WeakPolarHBondContact O-CA 3.44Å; P178-S180 PolarHBondContact O-N 2.9Å
179E93.9Very high93.6Very high7 Ų754.4 Ų54.43%0.03332%0.32CS..  trans-75.586.9176.1-156.1-177.779.300111.4T150 R151 L152 V166 C168 R169 I184T150-E179 WeakPolarHBondContact CA-OE1 3.49Å; T150-E179 WeakPolarHBondContact CB-O 3.08Å; T150-E179 PolarHBondContact OG1-O 2.97Å; R151-E179 HydrophobicContact CB-CB 3.89Å; R151-E179 HydrophobicContact CG-CB 4.38Å; R151-E179 PolarHBondContact N-OE1 3.49Å; L152-E179 WeakPolarHBondContact CB-O 3.43Å; L152-E179 PolarHBondContact N-O 3.25Å; V166-E179 PolarHBondContact O-N 3.02Å; C168-E179 HydrophobicContact CB-CB 4.47Å; R169-E179 WeakPolarHBondContact CB-OE2 3.35Å; R169-E179 WeakPolarHBondContact CD-OE2 3.31Å; R169-E179 WeakPolarHBondContact CG-OE2 3.42Å; R169-E179 IonicContact CZ-OE1 3.04Å; R169-E179 PolarHBondContact N-OE2 3.2Å; R169-E179 IonicContact NE-OE1 3.09Å; R169-E179 IonicContact NE-OE2 3.31Å; R169-E179 IonicContact NH1-OE1 3.95Å; R169-E179 PolarHBondContact NH1-OE1 3.01Å; R169-E179 IonicContact NH1-OE2 2.73Å; E179-I184 HydrophobicContact CG-CD1 3.54Å; E179-I184 HydrophobicContact CG-CG1 4.1Å
180S91.7Very high93.6Very high18 Ų1854.4 Ų54.413%0.12632%0.324CS..  trans-110.2159.8169.967.30000110.9P178 S182 H183 I184P178-S180 PolarHBondContact O-N 2.9Å; S180-S182 VanDerWaalsContact C-N 3.26Å; S180-S182 PolarHBondContact O-N 3.21Å; S180-H183 PolarHBondContact O-N 3.18Å; S180-H183 VanDerWaalsContact OG-CB 3.27Å; S180-H183 WeakPolarHBondContact OG-CB 3.49Å; S180-H183 PolarHBondContact OG-N 3.44Å; S180-I184 WeakPolarHBondContact O-CG1 3.43Å; S180-I184 PolarHBondContact O-N 3.08Å
181L92.3Very high93.6Very high18 Ų1848.5 Ų48.59%0.09430%0.301CS..Hα-helixtrans-61.8-37.5173.9-178.958.2000111.5V143 V148 T150 S185 W251V143-L181 HydrophobicContact CB-CD2 4.49Å; V143-L181 HydrophobicContact CG1-CD2 4.36Å; V143-L181 HydrophobicContact CG2-CD2 4.5Å; V148-L181 HydrophobicContact CB-CD1 4.01Å; V148-L181 HydrophobicContact CB-CD2 4.13Å; V148-L181 HydrophobicContact CG1-CD1 4.18Å; V148-L181 HydrophobicContact CG2-CD1 3.89Å; V148-L181 HydrophobicContact CG2-CD2 3.73Å; V148-L181 HydrophobicContact CG2-CG 4.43Å; T150-L181 HydrophobicContact CG2-CB 4.45Å; L181-S185 WeakPolarHBondContact O-CB 3.36Å; L181-S185 PolarHBondContact O-N 3.38Å; L181-S185 PolarHBondContact O-OG 3.08Å; L181-W251 HydrophobicContact CB-CH2 4.1Å; L181-W251 HydrophobicContact CD2-CH2 3.72Å; L181-W251 HydrophobicContact CD2-CZ3 4.45Å; L181-W251 HydrophobicContact CG-CH2 3.61Å; L181-W251 HydrophobicContact CG-CZ3 4.03Å
182S92.7Very high93.6Very high26 Ų2649.5 Ų49.518%0.18231%0.311CS..Hα-helixtrans-60-49.6173.3-177.10000111S180 S185 Q186S180-S182 VanDerWaalsContact C-N 3.26Å; S180-S182 PolarHBondContact O-N 3.21Å; S182-S185 PolarHBondContact O-N 3.05Å; S182-S185 PolarHBondContact O-OG 3.41Å; S182-Q186 VanDerWaalsContact O-CB 3.22Å; S182-Q186 WeakPolarHBondContact O-CB 3.05Å; S182-Q186 WeakPolarHBondContact O-CG 3.29Å; S182-Q186 PolarHBondContact O-N 3.2Å
183H93.9Very high93.8Very high17 Ų1759.8 Ų59.88%0.07935%0.35CS..Hα-helixtrans-59.6-52.1177.3171.671000112.5C168 C171 A177 S180 S185 Q186 N187 C188C168-H183 WeakPolarHBondContact CB-NE2 3.25Å; C168-H183 PolarHBondContact SG-NE2 2.86Å; C168-H183 VanDerWaalsContact SG-NE2 3.43Å; C171-H183 PolarHBondContact SG-CE1 2.73Å; C171-H183 PolarHBondContact SG-NE2 3.04Å; A177-H183 VanDerWaalsContact CB-CE1 3.44Å; A177-H183 WeakPolarHBondContact CB-CE1 3.24Å; S180-H183 PolarHBondContact O-N 3.18Å; S180-H183 VanDerWaalsContact OG-CB 3.27Å; S180-H183 WeakPolarHBondContact OG-CB 3.49Å; S180-H183 PolarHBondContact OG-N 3.44Å; H183-S185 VanDerWaalsContact C-N 3.27Å; H183-S185 PolarHBondContact O-N 3.08Å; H183-Q186 PolarHBondContact O-N 3.09Å; H183-N187 PolarHBondContact O-N 3.35Å; H183-C188 WeakPolarHBondContact NE2-CB 3.18Å; H183-C188 PolarHBondContact O-N 2.85Å
184I95Very high94Very high49 Ų4959.3 Ų59.325%0.25134%0.342SS..Hα-helixtrans-60.4-38.7-179.5-68167.1000111.1T150 E179 S180 T191T150-I184 HydrophobicContact CG2-CD1 3.95Å; E179-I184 HydrophobicContact CG-CD1 3.54Å; E179-I184 HydrophobicContact CG-CG1 4.1Å; S180-I184 WeakPolarHBondContact O-CG1 3.43Å; S180-I184 PolarHBondContact O-N 3.08Å; I184-T191 HydrophobicContact CG2-CG2 3.98Å; I184-T191 WeakPolarHBondContact O-CB 3.21Å; I184-T191 PolarHBondContact O-OG1 3.01Å
185S93.4Very high94.1Very high20 Ų2054.5 Ų54.514%0.1431%0.311CS..Hα-helixtrans-87.9-10.4-174.269.10000114.8L181 S182 H183 I195 R198 W251L181-S185 WeakPolarHBondContact O-CB 3.36Å; L181-S185 PolarHBondContact O-N 3.38Å; L181-S185 PolarHBondContact O-OG 3.08Å; S182-S185 PolarHBondContact O-N 3.05Å; S182-S185 PolarHBondContact O-OG 3.41Å; H183-S185 VanDerWaalsContact C-N 3.27Å; H183-S185 PolarHBondContact O-N 3.08Å; S185-I195 WeakPolarHBondContact O-CG1 3.3Å; S185-R198 PolarHBondContact O-NH1 2.82Å; S185-R198 PolarHBondContact O-NH2 2.99Å; S185-W251 WeakPolarHBondContact OG-CZ3 3.35Å
186Q94.4Very high94.2Very high40 Ų4055.4 Ų55.419%0.18732%0.315CS..Hα-helixtrans-130.3-36.8-173.2-58.9-57.5-44.700114.9S182 H183 I195 I249 W251S182-Q186 VanDerWaalsContact O-CB 3.22Å; S182-Q186 WeakPolarHBondContact O-CB 3.05Å; S182-Q186 WeakPolarHBondContact O-CG 3.29Å; S182-Q186 PolarHBondContact O-N 3.2Å; H183-Q186 PolarHBondContact O-N 3.09Å; Q186-I195 VanDerWaalsContact C-CD1 3.5Å; Q186-I249 PolarHBondContact OE1-O 3.12Å; Q186-W251 HydrophobicContact CG-CB 4.19Å; Q186-W251 HydrophobicContact CG-CE3 4.36Å
187N94.5Very high94.4Very high118 Ų11858.4 Ų58.463%0.63132%0.318SS*.THydrogen-bonded Turntrans-127.3-15.8-162.7-61.5-42.7000114.1H183 A189H183-N187 PolarHBondContact O-N 3.35Å; N187-A189 PolarHBondContact O-N 3.49Å
188C96.6Very high94.5Very high2 Ų261.1 Ų61.11%0.01432%0.324CS..  trans-70.1121.9-176.5-178.60000111.1H183 F190 T191 G192H183-C188 WeakPolarHBondContact NE2-CB 3.18Å; H183-C188 PolarHBondContact O-N 2.85Å; C188-F190 PolarHBondContact O-N 3.2Å; C188-T191 WeakPolarHBondContact CB-OG1 3.4Å; C188-T191 CarbonylContact O-C 3.53Å; C188-T191 PolarHBondContact O-N 2.92Å; C188-T191 PolarHBondContact O-OG1 3.09Å; C188-T191 VanDerWaalsContact O-OG1 3.09Å; C188-G192 PolarHBondContact O-N 2.96Å
189A94.5Very high94.6Very high83 Ų8359.5 Ų59.569%0.68631%0.311SS*.G310 helixtrans-57.7-33179.600000113.1N187 G192N187-A189 PolarHBondContact O-N 3.49Å; A189-G192 PolarHBondContact O-N 3.2Å
190F95.7Very high94.7Very high135 Ų13562 Ų6259%0.59233%0.325SS*.G310 helixtrans-74.9-23.7179.7-70-96.3000113.4K170 C171 C188K170-F190 VanDerWaalsContact C-CE2 3.5Å; K170-F190 HydrophobicContact CB-CB 3.88Å; K170-F190 HydrophobicContact CB-CD1 4.23Å; K170-F190 HydrophobicContact CB-CD2 3.69Å; K170-F190 HydrophobicContact CB-CE2 4.28Å; K170-F190 HydrophobicContact CB-CG 3.66Å; K170-F190 HydrophobicContact CG-CB 4.44Å; K170-F190 VanDerWaalsContact O-CE2 3.32Å; K170-F190 WeakPolarHBondContact O-CE2 3.32Å; C171-F190 HydrophobicContact CB-CD2 3.66Å; C171-F190 HydrophobicContact CB-CE2 3.67Å; C188-F190 PolarHBondContact O-N 3.2Å
191T94.7Very high94.8Very high27 Ų2762.7 Ų62.717%0.16634%0.335CS..G310 helixtrans-98.32.717259.10000112.3I184 C188 R193 L194 I195I184-T191 HydrophobicContact CG2-CG2 3.98Å; I184-T191 WeakPolarHBondContact O-CB 3.21Å; I184-T191 PolarHBondContact O-OG1 3.01Å; C188-T191 WeakPolarHBondContact CB-OG1 3.4Å; C188-T191 CarbonylContact O-C 3.53Å; C188-T191 PolarHBondContact O-N 2.92Å; C188-T191 PolarHBondContact O-OG1 3.09Å; C188-T191 VanDerWaalsContact O-OG1 3.09Å; T191-R193 PolarHBondContact O-N 3.42Å; T191-R193 VanDerWaalsContact O-N 3.16Å; T191-L194 HydrophobicContact CG2-CD1 4.5Å; T191-L194 WeakPolarHBondContact O-CA 3.17Å; T191-L194 WeakPolarHBondContact O-CB 3.23Å; T191-L194 PolarHBondContact O-N 3.13Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 2.8Å
192G94.9Very high94.8Very high26 Ų2663.5 Ų63.527%0.26834%0.34SS..Hα-helixtrans-49.8-43.3-179.600000113C188 A189 L194 I195 V196C188-G192 PolarHBondContact O-N 2.96Å; A189-G192 PolarHBondContact O-N 3.2Å; G192-L194 PolarHBondContact O-N 2.89Å; G192-I195 WeakPolarHBondContact O-CB 3.36Å; G192-I195 PolarHBondContact O-N 2.73Å; G192-V196 WeakPolarHBondContact O-CG2 3.37Å; G192-V196 PolarHBondContact O-N 2.67Å
193R96.5Very high94.8Very high218 Ų21862.3 Ų62.382%0.82333%0.331SS*.Hα-helixtrans-60.5-41.2175.1-67.9-177.4-178.2-1112.2112.7T191 V196 L197T191-R193 PolarHBondContact O-N 3.42Å; T191-R193 VanDerWaalsContact O-N 3.16Å; R193-V196 PolarHBondContact O-N 3.26Å; R193-L197 WeakPolarHBondContact O-CB 3.06Å; R193-L197 WeakPolarHBondContact O-CG 3.41Å; R193-L197 PolarHBondContact O-N 2.97Å
194L96.1Very high94.8Very high117 Ų11765.3 Ų65.361%0.61335%0.348SS*.Hα-helixtrans-69.3-35.4177.4-59.6175.2000111.9T191 G192 L197 R198T191-L194 HydrophobicContact CG2-CD1 4.5Å; T191-L194 WeakPolarHBondContact O-CA 3.17Å; T191-L194 WeakPolarHBondContact O-CB 3.23Å; T191-L194 PolarHBondContact O-N 3.13Å; G192-L194 PolarHBondContact O-N 2.89Å; L194-L197 HydrophobicContact CD2-CD1 4.28Å; L194-L197 PolarHBondContact O-N 3.36Å; L194-R198 WeakPolarHBondContact O-CB 3.49Å; L194-R198 PolarHBondContact O-N 3Å
195I95.4Very high94.7Very high34 Ų3468.7 Ų68.717%0.17436%0.361CS..Hα-helixtrans-63.2-45.8175.7-64.7165.8000109.9S185 Q186 T191 G192 R198 H199S185-I195 WeakPolarHBondContact O-CG1 3.3Å; Q186-I195 VanDerWaalsContact C-CD1 3.5Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 2.8Å; G192-I195 WeakPolarHBondContact O-CB 3.36Å; G192-I195 PolarHBondContact O-N 2.73Å; I195-R198 PolarHBondContact O-N 2.62Å; I195-H199 PolarHBondContact O-N 2.8Å; I195-H199 VanDerWaalsContact O-N 3.11Å
196V95.3Very high94.6Very high81 Ų8168 Ų6849%0.49136%0.355SS..Hα-helixtrans-64.8-45.7175.1173.80000111.1G192 R193 R198 H199 N200G192-V196 WeakPolarHBondContact O-CG2 3.37Å; G192-V196 PolarHBondContact O-N 2.67Å; R193-V196 PolarHBondContact O-N 3.26Å; V196-R198 VanDerWaalsContact C-N 3.29Å; V196-R198 PolarHBondContact O-N 3.3Å; V196-H199 WeakPolarHBondContact O-CB 3.23Å; V196-H199 PolarHBondContact O-N 3.37Å; V196-H199 VanDerWaalsContact O-N 3.08Å; V196-N200 WeakPolarHBondContact O-CB 3.37Å; V196-N200 PolarHBondContact O-N 3.3Å; V196-N200 PolarHBondContact O-OD1 3.41Å
197L96.5Very high94.6Very high113 Ų11367.6 Ų67.659%0.59235%0.354SS*.Hα-helixtrans-58.6-40.3177.3-76.1169.2000112.4R193 L194 G201R193-L197 WeakPolarHBondContact O-CB 3.06Å; R193-L197 WeakPolarHBondContact O-CG 3.41Å; R193-L197 PolarHBondContact O-N 2.97Å; L194-L197 HydrophobicContact CD2-CD1 4.28Å; L194-L197 PolarHBondContact O-N 3.36Å; L197-G201 PolarHBondContact O-N 3.17Å
198R94.9Very high94.6Very high77 Ų7767.7 Ų67.729%0.29135%0.35SS..Hα-helixtrans-62.8-44.2174.4-178.5-176.460.3-168.6-4.5111.5S185 L194 I195 V196 G201 I202 I249S185-R198 PolarHBondContact O-NH1 2.82Å; S185-R198 PolarHBondContact O-NH2 2.99Å; L194-R198 WeakPolarHBondContact O-CB 3.49Å; L194-R198 PolarHBondContact O-N 3Å; I195-R198 PolarHBondContact O-N 2.62Å; V196-R198 VanDerWaalsContact C-N 3.29Å; V196-R198 PolarHBondContact O-N 3.3Å; R198-G201 PolarHBondContact O-N 3.37Å; R198-I202 PolarHBondContact O-N 3.19Å; R198-I249 HydrophobicContact CB-CD1 4.5Å; R198-I249 HydrophobicContact CG-CD1 3.82Å
199H94.3Very high94.4Very high23 Ų2368.3 Ų68.311%0.10636%0.355CS..Hα-helixtrans-62.1-51.9177.1179.7-75.8000111.7I195 V196 G201 I202 L203 Y233 V247 I249I195-H199 PolarHBondContact O-N 2.8Å; I195-H199 VanDerWaalsContact O-N 3.11Å; V196-H199 WeakPolarHBondContact O-CB 3.23Å; V196-H199 PolarHBondContact O-N 3.37Å; V196-H199 VanDerWaalsContact O-N 3.08Å; H199-G201 VanDerWaalsContact C-N 3.26Å; H199-G201 PolarHBondContact O-N 3.07Å; H199-I202 PolarHBondContact O-N 3.33Å; H199-I202 VanDerWaalsContact O-N 3.11Å; H199-L203 PolarHBondContact O-N 2.67Å; H199-Y233 AromaticContact CE1-CD1 3.82Å; H199-Y233 AromaticContact CE1-CD2 3.84Å; H199-Y233 AromaticContact CE1-CE1 3.43Å; H199-Y233 VanDerWaalsContact CE1-CE1 3.43Å; H199-Y233 WeakPolarHBondContact CE1-CE1 3.46Å; H199-Y233 AromaticContact CE1-CE2 3.45Å; H199-Y233 VanDerWaalsContact CE1-CE2 3.45Å; H199-Y233 WeakPolarHBondContact CE1-CE2 3.41Å; H199-Y233 AromaticContact CE1-CZ 3.23Å; H199-Y233 AromaticContact NE2-CD2 3.84Å; H199-Y233 AromaticContact NE2-CE1 3.99Å; H199-Y233 AromaticContact NE2-CE2 3.2Å; H199-Y233 WeakPolarHBondContact NE2-CE2 3.36Å; H199-Y233 AromaticContact NE2-CZ 3.29Å; H199-Y233 VanDerWaalsContact NE2-CZ 3.29Å; H199-Y233 PolarHBondContact NE2-OH 3.27Å; H199-V247 PolarHBondContact NE2-O 3.1Å; H199-I249 HydrophobicContact CB-CD1 4.16Å
200N94.9Very high94.2Very high59 Ų5964.4 Ų64.432%0.31632%0.322SS..Hα-helixtrans-61.5-35.6178-66.93.7000111.7V196 I202 L203 N204V196-N200 WeakPolarHBondContact O-CB 3.37Å; V196-N200 PolarHBondContact O-N 3.3Å; V196-N200 PolarHBondContact O-OD1 3.41Å; N200-I202 VanDerWaalsContact C-N 3.34Å; N200-I202 PolarHBondContact O-N 3.29Å; N200-L203 PolarHBondContact O-N 3.34Å; N200-N204 WeakPolarHBondContact O-CB 3.4Å; N200-N204 PolarHBondContact O-N 3.3Å; N200-N204 PolarHBondContact O-ND2 3.36Å; N200-N204 PolarHBondContact O-OD1 3.24Å
201G94.2Very high94.1Very high34 Ų3463.1 Ų63.135%0.35132%0.318SS..Hα-helixtrans-61.5-38.7175.600000113.4L197 R198 H199 K205L197-G201 PolarHBondContact O-N 3.17Å; R198-G201 PolarHBondContact O-N 3.37Å; H199-G201 VanDerWaalsContact C-N 3.26Å; H199-G201 PolarHBondContact O-N 3.07Å; G201-K205 WeakPolarHBondContact O-CG 3.3Å; G201-K205 PolarHBondContact O-N 3.35Å
202I91.7Very high94Very high35 Ų3566.1 Ų66.118%0.17935%0.346CS..Hα-helixtrans-71.4-44173.7-65.5164.5000110.1R198 H199 N200 N204 K205 L206 V247 I249 V289 I291R198-I202 PolarHBondContact O-N 3.19Å; H199-I202 PolarHBondContact O-N 3.33Å; H199-I202 VanDerWaalsContact O-N 3.11Å; N200-I202 VanDerWaalsContact C-N 3.34Å; N200-I202 PolarHBondContact O-N 3.29Å; I202-N204 PolarHBondContact O-N 2.97Å; I202-K205 PolarHBondContact O-N 3.35Å; I202-L206 PolarHBondContact O-N 2.82Å; I202-V247 HydrophobicContact CB-CG1 4.16Å; I202-V247 HydrophobicContact CG2-CG1 3.73Å; I202-V247 HydrophobicContact CG2-CG2 4.4Å; I202-I249 HydrophobicContact CD1-CD1 3.55Å; I202-I249 HydrophobicContact CD1-CG1 3.96Å; I202-V289 HydrophobicContact CG2-CG1 4.37Å; I202-I291 HydrophobicContact CD1-CD1 4.02Å; I202-I291 HydrophobicContact CG1-CD1 4.36Å; I202-I291 HydrophobicContact CG2-CD1 4.13Å
203L92.6Very high93.9Very high1 Ų166.2 Ų66.21%0.00534%0.342CS..Hα-helixtrans-58.5-48.7179.8-171.161.6000111.3H199 N200 K205 L206 M207 H219 Y233 L234 V247H199-L203 PolarHBondContact O-N 2.67Å; N200-L203 PolarHBondContact O-N 3.34Å; L203-K205 VanDerWaalsContact C-N 3.33Å; L203-K205 PolarHBondContact O-N 3.48Å; L203-L206 WeakPolarHBondContact O-CA 3.41Å; L203-L206 WeakPolarHBondContact O-CB 3.34Å; L203-L206 PolarHBondContact O-N 2.98Å; L203-M207 HydrophobicContact CG-SD 4.18Å; L203-M207 VanDerWaalsContact O-CG 3.27Å; L203-M207 WeakPolarHBondContact O-CG 3.3Å; L203-M207 PolarHBondContact O-N 2.95Å; L203-H219 WeakPolarHBondContact CD2-NE2 3.49Å; L203-Y233 HydrophobicContact CD1-CG 4.43Å; L203-Y233 HydrophobicContact CD2-CD1 4.11Å; L203-Y233 HydrophobicContact CD2-CG 4.34Å; L203-L234 HydrophobicContact CD1-CD1 3.83Å; L203-L234 HydrophobicContact CD1-CD2 3.73Å; L203-L234 HydrophobicContact CD1-CG 3.65Å; L203-L234 HydrophobicContact CG-CD2 4.36Å; L203-V247 HydrophobicContact CD1-CG2 3.78Å
204N95.1Very high93.6Very high80 Ų8058.6 Ų58.643%0.42833%0.332SS..Hα-helixtrans-59.2-41178.2-69.5-10.6000112.3N200 I202 L206 M207 Q208N200-N204 WeakPolarHBondContact O-CB 3.4Å; N200-N204 PolarHBondContact O-N 3.3Å; N200-N204 PolarHBondContact O-ND2 3.36Å; N200-N204 PolarHBondContact O-OD1 3.24Å; I202-N204 PolarHBondContact O-N 2.97Å; N204-L206 VanDerWaalsContact C-N 3.32Å; N204-L206 PolarHBondContact O-N 3.34Å; N204-M207 PolarHBondContact O-N 2.8Å; N204-Q208 VanDerWaalsContact O-CG 3.27Å; N204-Q208 WeakPolarHBondContact O-CG 3.48Å; N204-Q208 PolarHBondContact O-N 3.27Å
205K92.2Very high93.5Very high120 Ų12053.9 Ų53.952%0.52231%0.306SS..Hα-helixtrans-65.9-36.4175.8-75.2-175179.6-64.70112.4G201 I202 L203 S209G201-K205 WeakPolarHBondContact O-CG 3.3Å; G201-K205 PolarHBondContact O-N 3.35Å; I202-K205 PolarHBondContact O-N 3.35Å; L203-K205 VanDerWaalsContact C-N 3.33Å; L203-K205 PolarHBondContact O-N 3.48Å; K205-S209 WeakPolarHBondContact O-CB 3.08Å; K205-S209 PolarHBondContact O-N 3.12Å; K205-S209 VanDerWaalsContact O-N 3.15Å; K205-S209 PolarHBondContact O-OG 2.9Å
206L92.1Very high93.4Very high6 Ų658.3 Ų58.33%0.03133%0.326CS..Hα-helixtrans-66.1-46.8174.6-179.160.7000110.5I202 L203 N204 Q208 S209 V210 L234 V245 V247 V289 V313I202-L206 PolarHBondContact O-N 2.82Å; L203-L206 WeakPolarHBondContact O-CA 3.41Å; L203-L206 WeakPolarHBondContact O-CB 3.34Å; L203-L206 PolarHBondContact O-N 2.98Å; N204-L206 VanDerWaalsContact C-N 3.32Å; N204-L206 PolarHBondContact O-N 3.34Å; L206-Q208 PolarHBondContact O-N 3.44Å; L206-S209 PolarHBondContact O-N 2.78Å; L206-S209 VanDerWaalsContact O-N 3.16Å; L206-V210 HydrophobicContact CD1-CG2 4.27Å; L206-V210 HydrophobicContact CG-CG2 4.41Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.35Å; L206-L234 HydrophobicContact CB-CD1 4.34Å; L206-L234 HydrophobicContact CD2-CD1 3.48Å; L206-L234 VanDerWaalsContact CD2-CD1 3.48Å; L206-L234 HydrophobicContact CG-CD1 3.68Å; L206-V245 HydrophobicContact CD2-CG1 3.89Å; L206-V247 HydrophobicContact CD2-CG2 4.07Å; L206-V289 HydrophobicContact CD1-CG2 4.35Å; L206-V289 HydrophobicContact CD2-CG2 3.85Å; L206-V313 HydrophobicContact CD1-CG2 3.88Å
207M94Very high93.4Very high30 Ų3055.8 Ų55.815%0.14831%0.31CS..Hα-helixtrans-56.2-51.9176.3-65.6172.763.700111.7L203 N204 S209 V210 E211 L217 H219 L234L203-M207 HydrophobicContact CG-SD 4.18Å; L203-M207 VanDerWaalsContact O-CG 3.27Å; L203-M207 WeakPolarHBondContact O-CG 3.3Å; L203-M207 PolarHBondContact O-N 2.95Å; N204-M207 PolarHBondContact O-N 2.8Å; M207-S209 PolarHBondContact O-N 3.09Å; M207-V210 WeakPolarHBondContact O-CA 3.4Å; M207-V210 WeakPolarHBondContact O-CB 3.47Å; M207-V210 PolarHBondContact O-N 3.27Å; M207-E211 WeakPolarHBondContact O-CG 3.46Å; M207-E211 PolarHBondContact O-N 3.47Å; M207-L217 HydrophobicContact CB-CD2 3.68Å; M207-L217 HydrophobicContact CE-CD2 3.9Å; M207-L217 HydrophobicContact CG-CD2 3.78Å; M207-H219 HydrophobicContact CE-CB 3.94Å; M207-H219 PolarHBondContact SD-CD2 2.94Å; M207-L234 HydrophobicContact CG-CD1 4.17Å; M207-L234 HydrophobicContact CG-CD2 3.51Å; M207-L234 HydrophobicContact SD-CD2 4.02Å
208Q94.4Very high93.2Very high121 Ų12153.1 Ų53.157%0.56530%0.298SS*.Hα-helixtrans-55-40.5176.7-73.3169.76.100112.2N204 L206 A212N204-Q208 VanDerWaalsContact O-CG 3.27Å; N204-Q208 WeakPolarHBondContact O-CG 3.48Å; N204-Q208 PolarHBondContact O-N 3.27Å; L206-Q208 PolarHBondContact O-N 3.44Å; Q208-A212 WeakPolarHBondContact O-CB 3.38Å; Q208-A212 PolarHBondContact O-N 2.9Å
209S91.7Very high93.1Very high15 Ų1553.4 Ų53.411%0.10530%0.302CS..Hα-helixtrans-72.3-33.3179.3-57.50000112.5K205 L206 M207 S213 T311 V313K205-S209 WeakPolarHBondContact O-CB 3.08Å; K205-S209 PolarHBondContact O-N 3.12Å; K205-S209 VanDerWaalsContact O-N 3.15Å; K205-S209 PolarHBondContact O-OG 2.9Å; L206-S209 PolarHBondContact O-N 2.78Å; L206-S209 VanDerWaalsContact O-N 3.16Å; M207-S209 PolarHBondContact O-N 3.09Å; S209-S213 WeakPolarHBondContact O-CB 3.34Å; S209-S213 PolarHBondContact O-N 3.24Å; S209-S213 PolarHBondContact O-OG 3.11Å; S209-T311 WeakPolarHBondContact O-CB 3.39Å; S209-V313 VanDerWaalsContact OG-CG2 3.29Å; S209-V313 WeakPolarHBondContact OG-CG2 3.45Å
210V91.5Very high92.9Very high0 Ų057.1 Ų57.10%032%0.32CS..Hα-helixtrans-67.9-49.7175.6173.40000110.5L206 M207 S213 F215 L217 F236 T311L206-V210 HydrophobicContact CD1-CG2 4.27Å; L206-V210 HydrophobicContact CG-CG2 4.41Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.35Å; M207-V210 WeakPolarHBondContact O-CA 3.4Å; M207-V210 WeakPolarHBondContact O-CB 3.47Å; M207-V210 PolarHBondContact O-N 3.27Å; V210-S213 PolarHBondContact O-N 3.46Å; V210-S213 VanDerWaalsContact O-N 3.12Å; V210-F215 HydrophobicContact CG1-CB 3.54Å; V210-F215 HydrophobicContact CG1-CD2 4.42Å; V210-F215 HydrophobicContact CG1-CG 4.13Å; V210-F215 PolarHBondContact O-N 3.47Å; V210-L217 HydrophobicContact CG1-CD1 4.06Å; V210-F236 HydrophobicContact CG1-CB 3.77Å; V210-F236 HydrophobicContact CG1-CD1 4.06Å; V210-F236 HydrophobicContact CG1-CD2 4.22Å; V210-F236 HydrophobicContact CG1-CG 3.77Å; V210-F236 HydrophobicContact CG2-CD1 4.29Å; V210-F236 HydrophobicContact CG2-CE1 4.28Å; V210-T311 HydrophobicContact CB-CG2 4.23Å; V210-T311 HydrophobicContact CG2-CG2 3.86Å
211E92.2Very high92.7Very high109 Ų10954.9 Ų54.951%0.50931%0.309SS..Hα-helixtrans-62.5-46.2177.7-69172.9154.800111.9M207 S213 G214 L217M207-E211 WeakPolarHBondContact O-CG 3.46Å; M207-E211 PolarHBondContact O-N 3.47Å; E211-S213 PolarHBondContact O-N 2.93Å; E211-G214 PolarHBondContact O-N 3.01Å; E211-L217 HydrophobicContact CG-CB 4.35Å; E211-L217 HydrophobicContact CG-CD2 3.94Å
212A93.4Very high92.4Very high90 Ų9057.1 Ų57.174%0.74432%0.315SS*.THydrogen-bonded Turntrans-61.4-18.6176.800000113.4Q208Q208-A212 WeakPolarHBondContact O-CB 3.38Å; Q208-A212 PolarHBondContact O-N 2.9Å
213S92.3Very high91.9Very high27 Ų2756.2 Ų56.219%0.18931%0.311CS..THydrogen-bonded Turntrans-94.87.4176.4-52.60000113S209 V210 E211 R238 S310 T311S209-S213 WeakPolarHBondContact O-CB 3.34Å; S209-S213 PolarHBondContact O-N 3.24Å; S209-S213 PolarHBondContact O-OG 3.11Å; V210-S213 PolarHBondContact O-N 3.46Å; V210-S213 VanDerWaalsContact O-N 3.12Å; E211-S213 PolarHBondContact O-N 2.93Å; S213-R238 PolarHBondContact O-NH1 3.17Å; S213-S310 PolarHBondContact OG-O 3.22Å; S213-T311 WeakPolarHBondContact OG-CA 3.47Å
214G91.9Very high91.5Very high59 Ų5964.6 Ų64.661%0.60834%0.342SS*.THydrogen-bonded Turntrans77.419.6175.100000114.9E211E211-G214 PolarHBondContact O-N 3.01Å
215F93.7Very high90.9Very high17 Ų1761.9 Ų61.98%0.07533%0.327CS..  trans-83.1142.5172.3-69.1-97.7000110.2V210 F236 T237 R238 W243 T311V210-F215 HydrophobicContact CG1-CB 3.54Å; V210-F215 HydrophobicContact CG1-CD2 4.42Å; V210-F215 HydrophobicContact CG1-CG 4.13Å; V210-F215 PolarHBondContact O-N 3.47Å; F215-F236 HydrophobicContact CB-CB 4.24Å; F215-F236 HydrophobicContact CB-CD2 4.36Å; F215-F236 AromaticContact CD1-CD2 3.53Å; F215-F236 HydrophobicContact CD1-CD2 3.53Å; F215-F236 HydrophobicContact CD1-CE2 4.11Å; F215-F236 HydrophobicContact CE1-CD2 4.04Å; F215-F236 HydrophobicContact CE1-CE2 4.18Å; F215-F236 HydrophobicContact CG-CD2 4.05Å; F215-T237 WeakPolarHBondContact CA-O 3.37Å; F215-R238 HydrophobicContact CD1-CB 3.29Å; F215-R238 HydrophobicContact CD1-CG 4.31Å; F215-R238 HydrophobicContact CE1-CB 3.43Å; F215-R238 VanDerWaalsContact CE1-CB 3.43Å; F215-R238 HydrophobicContact CE1-CG 4.26Å; F215-R238 HydrophobicContact CG-CB 4.05Å; F215-R238 HydrophobicContact CZ-CB 4.28Å; F215-W243 HydrophobicContact CD1-CE3 4.37Å; F215-W243 HydrophobicContact CD1-CZ3 4.07Å; F215-W243 HydrophobicContact CE1-CE3 4.01Å; F215-W243 AromaticContact CE1-CH2 3.98Å; F215-W243 HydrophobicContact CE1-CH2 3.98Å; F215-W243 AromaticContact CE1-CZ3 3.5Å; F215-W243 HydrophobicContact CE1-CZ3 3.5Å; F215-T311 HydrophobicContact CD2-CG2 4.14Å; F215-T311 HydrophobicContact CE2-CG2 3.97Å
216H93Very high90.5Very high127 Ų12763.6 Ų63.659%0.58834%0.337SS*.EExtended strand (participates in β ladder)trans-77.9128.9166.7177.672.5000109.1F236 T237H216-F236 CarbonylContact O-C 3.47Å; H216-F236 WeakPolarHBondContact O-CA 2.96Å; H216-F236 VanDerWaalsContact O-CB 3.3Å; H216-F236 WeakPolarHBondContact O-CB 3.36Å; H216-T237 PolarHBondContact N-O 3.27Å; H216-T237 PolarHBondContact O-N 3.03Å
217L93.9Very high90.1Very high29 Ų2966.8 Ų66.815%0.15237%0.372CS..EExtended strand (participates in β ladder)trans-118.2132.6-169.2-179.766.6000111.5M207 V210 E211 L234 F236M207-L217 HydrophobicContact CB-CD2 3.68Å; M207-L217 HydrophobicContact CE-CD2 3.9Å; M207-L217 HydrophobicContact CG-CD2 3.78Å; V210-L217 HydrophobicContact CG1-CD1 4.06Å; E211-L217 HydrophobicContact CG-CB 4.35Å; E211-L217 HydrophobicContact CG-CD2 3.94Å; L217-L234 HydrophobicContact CD1-CB 4.2Å; L217-L234 HydrophobicContact CD1-CD2 4.07Å; L217-L234 HydrophobicContact CD1-CG 4.5Å; L217-F236 HydrophobicContact CD1-CB 3.97Å; L217-F236 HydrophobicContact CD1-CD1 4.42Å
218V92.5Very high89.7Confident57 Ų5770.4 Ų70.435%0.34539%0.388SS..EExtended strand (participates in β ladder)trans-116.7117.1169-1750000108.6P221 L235V218-P221 HydrophobicContact CG1-CB 3.95Å; V218-L235 HydrophobicContact CB-CB 4.28Å; V218-L235 PolarHBondContact N-O 3.4Å; V218-L235 PolarHBondContact O-N 2.97Å
219H92.8Very high89.3Confident82 Ų8267.5 Ų67.538%0.3838%0.379SS..EExtended strand (participates in β ladder)trans-88.8135.4178.5-178.2-110.3000111.1L203 M207 P221L203-H219 WeakPolarHBondContact CD2-NE2 3.49Å; M207-H219 HydrophobicContact CE-CB 3.94Å; M207-H219 PolarHBondContact SD-CD2 2.94Å; H219-P221 VanDerWaalsContact C-CD 3.49Å
220E91.5Very high88.9Confident101 Ų10167.5 Ų67.547%0.47238%0.377SS..SBendtrans44.650.9-179.9-68.1-177.7166.800114.8V222 Y233E220-V222 PolarHBondContact O-N 2.67Å; E220-Y233 HydrophobicContact CG-CD1 4.4Å; E220-Y233 PolarHBondContact N-O 2.87Å
221P89.3Confident88.7Confident13 Ų1374.2 Ų74.28%0.08441%0.406CS..  trans-61.5137.2178.129.2-37.5000110.5V218 H219 I223 P232 L235V218-P221 HydrophobicContact CG1-CB 3.95Å; H219-P221 VanDerWaalsContact C-CD 3.49Å; P221-I223 HydrophobicContact CB-CD1 3.94Å; P221-I223 HydrophobicContact CB-CG1 4.36Å; P221-I223 HydrophobicContact CG-CD1 4.02Å; P221-P232 WeakPolarHBondContact CD-O 3.48Å; P221-P232 HydrophobicContact CG-CG 3.91Å; P221-P232 WeakPolarHBondContact O-CD 3.42Å; P221-L235 HydrophobicContact CG-CB 3.9Å
222V88.8Confident88.5Confident81 Ų8169.1 Ų69.149%0.49138%0.382SS..  trans-97.7114.6169.5-177.40000107.2E220 T229 K231E220-V222 PolarHBondContact O-N 2.67Å; V222-T229 HydrophobicContact CG1-CG2 3.68Å; V222-K231 HydrophobicContact CG2-CD 4.5Å; V222-K231 HydrophobicContact CG2-CG 4.39Å
223I81.6Confident88.3Confident16 Ų1668 Ų688%0.08236%0.36CS..EExtended strand (participates in β ladder)trans-119.8134.1176.7-40.3103.4000112.4P221 T229 F230 P232 F271 A274 L278P221-I223 HydrophobicContact CB-CD1 3.94Å; P221-I223 HydrophobicContact CB-CG1 4.36Å; P221-I223 HydrophobicContact CG-CD1 4.02Å; I223-T229 CarbonylContact O-C 3.49Å; I223-T229 WeakPolarHBondContact O-CA 2.91Å; I223-F230 PolarHBondContact N-O 2.88Å; I223-F230 PolarHBondContact O-N 3Å; I223-P232 HydrophobicContact CD1-CG 3.74Å; I223-F271 HydrophobicContact CB-CD2 4.26Å; I223-F271 HydrophobicContact CB-CE2 3.45Å; I223-F271 VanDerWaalsContact CB-CE2 3.45Å; I223-F271 HydrophobicContact CB-CZ 4.14Å; I223-F271 HydrophobicContact CD1-CD2 4.09Å; I223-F271 HydrophobicContact CD1-CE1 4.21Å; I223-F271 HydrophobicContact CD1-CE2 3.38Å; I223-F271 HydrophobicContact CD1-CZ 3.42Å; I223-F271 VanDerWaalsContact CD1-CZ 3.42Å; I223-F271 HydrophobicContact CG1-CD2 4.41Å; I223-F271 HydrophobicContact CG1-CE2 3.39Å; I223-F271 HydrophobicContact CG1-CZ 3.54Å; I223-F271 HydrophobicContact CG2-CD2 4.36Å; I223-F271 HydrophobicContact CG2-CE2 3.42Å; I223-F271 VanDerWaalsContact CG2-CE2 3.42Å; I223-F271 HydrophobicContact CG2-CZ 4.16Å; I223-A274 HydrophobicContact CG2-CB 4.08Å; I223-L278 HydrophobicContact CG1-CD2 4.31Å
224W83.3Confident88.3Confident177 Ų17766.8 Ų66.867%0.6735%0.351SS*.EExtended strand (participates in β ladder)trans-98.4127175.5-72.389.9000110.6T229W224-T229 WeakPolarHBondContact CH2-OG1 3.46Å; W224-T229 VanDerWaalsContact CZ2-OG1 3.27Å; W224-T229 WeakPolarHBondContact CZ2-OG1 3.39Å; W224-T229 WeakPolarHBondContact CZ3-OG1 3.3Å
225L82Confident88.4Confident22 Ų2264.1 Ų64.112%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-145.9122.1177.3177.166.5000109.5G227 E228 F230 R270 A274L225-G227 PolarHBondContact O-N 2.79Å; L225-G227 VanDerWaalsContact O-N 3.15Å; L225-E228 PolarHBondContact N-O 3.08Å; L225-E228 PolarHBondContact O-N 2.82Å; L225-F230 HydrophobicContact CB-CD2 4.15Å; L225-F230 HydrophobicContact CB-CE2 3.98Å; L225-F230 HydrophobicContact CD2-CE2 4.27Å; L225-R270 VanDerWaalsContact CD2-O 3.29Å; L225-R270 WeakPolarHBondContact CD2-O 3.26Å; L225-A274 HydrophobicContact CD1-CB 4.3Å
226E84.4Confident88.4Confident156 Ų15663.4 Ų63.473%0.72932%0.32SS*.THydrogen-bonded Turntrans5338171.9-62.1177.6174.800113.9E228 R273E226-E228 PolarHBondContact O-N 3.39Å; E226-R273 IonicContact OE1-CZ 3.62Å; E226-R273 IonicContact OE1-NH1 3.55Å; E226-R273 IonicContact OE1-NH2 2.74Å; E226-R273 PolarHBondContact OE1-NH2 3.43Å
227G83.6Confident88.4Confident73 Ų7358.8 Ų58.875%0.75330%0.3SS*.THydrogen-bonded Turntrans81.4-6.3-178.100000114.8L225L225-G227 PolarHBondContact O-N 2.79Å; L225-G227 VanDerWaalsContact O-N 3.15Å
228E85.9Confident88.4Confident107 Ų10762.7 Ų62.750%0.531%0.313SS..EExtended strand (participates in β ladder)trans-99.9138.3174.8-66.2-171.5170.700111.6L225 E226 F230L225-E228 PolarHBondContact N-O 3.08Å; L225-E228 PolarHBondContact O-N 2.82Å; E226-E228 PolarHBondContact O-N 3.39Å; E228-F230 HydrophobicContact CB-CD2 4.44Å; E228-F230 HydrophobicContact CB-CE2 3.68Å; E228-F230 HydrophobicContact CB-CZ 4.05Å; E228-F230 VanDerWaalsContact OE2-CZ 3.26Å; E228-F230 WeakPolarHBondContact OE2-CZ 3.49Å
229T86.5Confident88.3Confident60 Ų6066.9 Ų66.937%0.36833%0.333SS..EExtended strand (participates in β ladder)trans-94.9121.9170.8-56.60000110.5V222 I223 W224 K231V222-T229 HydrophobicContact CG1-CG2 3.68Å; I223-T229 CarbonylContact O-C 3.49Å; I223-T229 WeakPolarHBondContact O-CA 2.91Å; W224-T229 WeakPolarHBondContact CH2-OG1 3.46Å; W224-T229 VanDerWaalsContact CZ2-OG1 3.27Å; W224-T229 WeakPolarHBondContact CZ2-OG1 3.39Å; W224-T229 WeakPolarHBondContact CZ3-OG1 3.3Å; T229-K231 HydrophobicContact CG2-CG 4.25Å
230F83.6Confident88.3Confident14 Ų1466.7 Ų66.76%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-102.5130.3172.2-63.3-91.2000110I223 L225 E228 P232I223-F230 PolarHBondContact N-O 2.88Å; I223-F230 PolarHBondContact O-N 3Å; L225-F230 HydrophobicContact CB-CD2 4.15Å; L225-F230 HydrophobicContact CB-CE2 3.98Å; L225-F230 HydrophobicContact CD2-CE2 4.27Å; E228-F230 HydrophobicContact CB-CD2 4.44Å; E228-F230 HydrophobicContact CB-CE2 3.68Å; E228-F230 HydrophobicContact CB-CZ 4.05Å; E228-F230 VanDerWaalsContact OE2-CZ 3.26Å; E228-F230 WeakPolarHBondContact OE2-CZ 3.49Å; F230-P232 WeakPolarHBondContact O-CD 3.34Å
231K87.6Confident88.4Confident141 Ų14163.2 Ų63.261%0.61332%0.322SS*.  trans-120.679.6171.7-60.6-173.9179.5-1750109.2V222 T229 Y268V222-K231 HydrophobicContact CG2-CD 4.5Å; V222-K231 HydrophobicContact CG2-CG 4.39Å; T229-K231 HydrophobicContact CG2-CG 4.25Å; K231-Y268 PolarHBondContact O-OH 3.25Å
232P86.8Confident88.6Confident2 Ų262.6 Ų62.61%0.01332%0.318CS..  trans-66.1160.7164.317.9-12.8000110.5P221 I223 F230 V244 Y268P221-P232 WeakPolarHBondContact CD-O 3.48Å; P221-P232 HydrophobicContact CG-CG 3.91Å; P221-P232 WeakPolarHBondContact O-CD 3.42Å; I223-P232 HydrophobicContact CD1-CG 3.74Å; F230-P232 WeakPolarHBondContact O-CD 3.34Å; P232-V244 HydrophobicContact CB-CG1 3.33Å; P232-V244 HydrophobicContact CG-CG1 3.77Å; P232-V244 HydrophobicContact CG-CG2 4.32Å; P232-Y268 HydrophobicContact CB-CD1 4Å; P232-Y268 HydrophobicContact CB-CE1 3.55Å; P232-Y268 HydrophobicContact CG-CD1 4.32Å; P232-Y268 HydrophobicContact CG-CE1 4Å
233Y89.2Confident88.9Confident68 Ų6861.5 Ų61.527%0.26731%0.305SS..SBendtrans-79.7-40.1176.9-69.3-66000111.6H199 L203 E220 N246 V247H199-Y233 AromaticContact CE1-CD1 3.82Å; H199-Y233 AromaticContact CE1-CD2 3.84Å; H199-Y233 AromaticContact CE1-CE1 3.43Å; H199-Y233 VanDerWaalsContact CE1-CE1 3.43Å; H199-Y233 WeakPolarHBondContact CE1-CE1 3.46Å; H199-Y233 AromaticContact CE1-CE2 3.45Å; H199-Y233 VanDerWaalsContact CE1-CE2 3.45Å; H199-Y233 WeakPolarHBondContact CE1-CE2 3.41Å; H199-Y233 AromaticContact CE1-CZ 3.23Å; H199-Y233 AromaticContact NE2-CD2 3.84Å; H199-Y233 AromaticContact NE2-CE1 3.99Å; H199-Y233 AromaticContact NE2-CE2 3.2Å; H199-Y233 WeakPolarHBondContact NE2-CE2 3.36Å; H199-Y233 AromaticContact NE2-CZ 3.29Å; H199-Y233 VanDerWaalsContact NE2-CZ 3.29Å; H199-Y233 PolarHBondContact NE2-OH 3.27Å; L203-Y233 HydrophobicContact CD1-CG 4.43Å; L203-Y233 HydrophobicContact CD2-CD1 4.11Å; L203-Y233 HydrophobicContact CD2-CG 4.34Å; E220-Y233 HydrophobicContact CG-CD1 4.4Å; E220-Y233 PolarHBondContact N-O 2.87Å; Y233-N246 HydrophobicContact CD2-CB 4.22Å; Y233-N246 WeakPolarHBondContact CD2-ND2 3.44Å; Y233-N246 WeakPolarHBondContact CD2-OD1 3.39Å; Y233-N246 WeakPolarHBondContact CE2-OD1 3.48Å; Y233-V247 HydrophobicContact CD2-CB 4.5Å; Y233-V247 WeakPolarHBondContact CE2-O 3.5Å
234L93.3Very high89.4Confident0 Ų060.7 Ų60.70%030%0.301CS..EExtended strand (participates in β ladder)trans-133.2138-179.5-53.1178.1000110.9L203 L206 M207 L217 F236 V244 V245L203-L234 HydrophobicContact CD1-CD1 3.83Å; L203-L234 HydrophobicContact CD1-CD2 3.73Å; L203-L234 HydrophobicContact CD1-CG 3.65Å; L203-L234 HydrophobicContact CG-CD2 4.36Å; L206-L234 HydrophobicContact CB-CD1 4.34Å; L206-L234 HydrophobicContact CD2-CD1 3.48Å; L206-L234 VanDerWaalsContact CD2-CD1 3.48Å; L206-L234 HydrophobicContact CG-CD1 3.68Å; M207-L234 HydrophobicContact CG-CD1 4.17Å; M207-L234 HydrophobicContact CG-CD2 3.51Å; M207-L234 HydrophobicContact SD-CD2 4.02Å; L217-L234 HydrophobicContact CD1-CB 4.2Å; L217-L234 HydrophobicContact CD1-CD2 4.07Å; L217-L234 HydrophobicContact CD1-CG 4.5Å; L234-F236 HydrophobicContact CB-CD1 4.44Å; L234-V244 WeakPolarHBondContact O-CA 3.47Å; L234-V245 PolarHBondContact N-O 3.43Å; L234-V245 VanDerWaalsContact N-O 3.08Å; L234-V245 PolarHBondContact O-N 3.43Å
235L92.7Very high89.8Confident3 Ų352.8 Ų52.82%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-120.7129.1160.116868.3000106.8V218 P221 C242 W243 V244 F271 L278 T279V218-L235 HydrophobicContact CB-CB 4.28Å; V218-L235 PolarHBondContact N-O 3.4Å; V218-L235 PolarHBondContact O-N 2.97Å; P221-L235 HydrophobicContact CG-CB 3.9Å; L235-C242 HydrophobicContact CD1-CB 4.42Å; L235-W243 CarbonylContact C-O 3.56Å; L235-W243 WeakPolarHBondContact CA-O 3.33Å; L235-V244 HydrophobicContact CB-CG2 4.37Å; L235-V244 HydrophobicContact CD1-CG2 3.76Å; L235-F271 HydrophobicContact CD1-CE1 4.38Å; L235-L278 HydrophobicContact CD2-CD2 3.64Å; L235-T279 HydrophobicContact CD1-CG2 4.16Å; L235-T279 HydrophobicContact CD2-CG2 3.96Å; L235-T279 HydrophobicContact CG-CG2 4.36Å
236F93.8Very high90.2Very high3 Ų352 Ų521%0.01327%0.268CS..EExtended strand (participates in β ladder)trans-137.4150174.455.5-95000112.2V210 F215 H216 L217 L234 C242 W243 V245 A307V210-F236 HydrophobicContact CG1-CB 3.77Å; V210-F236 HydrophobicContact CG1-CD1 4.06Å; V210-F236 HydrophobicContact CG1-CD2 4.22Å; V210-F236 HydrophobicContact CG1-CG 3.77Å; V210-F236 HydrophobicContact CG2-CD1 4.29Å; V210-F236 HydrophobicContact CG2-CE1 4.28Å; F215-F236 HydrophobicContact CB-CB 4.24Å; F215-F236 HydrophobicContact CB-CD2 4.36Å; F215-F236 AromaticContact CD1-CD2 3.53Å; F215-F236 HydrophobicContact CD1-CD2 3.53Å; F215-F236 HydrophobicContact CD1-CE2 4.11Å; F215-F236 HydrophobicContact CE1-CD2 4.04Å; F215-F236 HydrophobicContact CE1-CE2 4.18Å; F215-F236 HydrophobicContact CG-CD2 4.05Å; H216-F236 CarbonylContact O-C 3.47Å; H216-F236 WeakPolarHBondContact O-CA 2.96Å; H216-F236 VanDerWaalsContact O-CB 3.3Å; H216-F236 WeakPolarHBondContact O-CB 3.36Å; L217-F236 HydrophobicContact CD1-CB 3.97Å; L217-F236 HydrophobicContact CD1-CD1 4.42Å; L234-F236 HydrophobicContact CB-CD1 4.44Å; F236-C242 CarbonylContact O-C 3.59Å; F236-C242 WeakPolarHBondContact O-CA 3.37Å; F236-W243 HydrophobicContact CD2-CB 3.98Å; F236-W243 HydrophobicContact CD2-CD2 4.28Å; F236-W243 AromaticContact CD2-CE3 3.74Å; F236-W243 HydrophobicContact CD2-CE3 3.74Å; F236-W243 HydrophobicContact CD2-CG 4.43Å; F236-W243 HydrophobicContact CE1-CB 4.09Å; F236-W243 HydrophobicContact CE2-CB 3.47Å; F236-W243 VanDerWaalsContact CE2-CB 3.47Å; F236-W243 AromaticContact CE2-CD2 3.78Å; F236-W243 HydrophobicContact CE2-CD2 3.78Å; F236-W243 AromaticContact CE2-CE3 3.67Å; F236-W243 HydrophobicContact CE2-CE3 3.67Å; F236-W243 AromaticContact CE2-CG 3.73Å; F236-W243 HydrophobicContact CE2-CG 3.73Å; F236-W243 HydrophobicContact CG-CB 4.5Å; F236-W243 HydrophobicContact CZ-CB 3.52Å; F236-W243 HydrophobicContact CZ-CG 4.08Å; F236-W243 PolarHBondContact N-O 3.4Å; F236-W243 PolarHBondContact O-N 3.04Å; F236-V245 HydrophobicContact CE1-CB 4.03Å; F236-V245 HydrophobicContact CE1-CG2 3.47Å; F236-V245 VanDerWaalsContact CE1-CG2 3.47Å; F236-V245 HydrophobicContact CZ-CG2 3.76Å; F236-A307 HydrophobicContact CE2-CB 4.46Å; F236-A307 HydrophobicContact CZ-CB 4.43Å
237T94.2Very high90.5Very high29 Ų2944.6 Ų44.618%0.17823%0.234CC..EExtended strand (participates in β ladder)trans-128.8146.5-174.653.80000110.7F215 H216 S241 C242 T279F215-T237 WeakPolarHBondContact CA-O 3.37Å; H216-T237 PolarHBondContact N-O 3.27Å; H216-T237 PolarHBondContact O-N 3.03Å; T237-S241 WeakPolarHBondContact CA-O 3.44Å; T237-C242 HydrophobicContact CG2-CB 3.63Å; T237-T279 HydrophobicContact CG2-CG2 3.37Å
238R93.3Very high90.9Very high111 Ų11141.4 Ų41.442%0.41920%0.2SC..EExtended strand (participates in β ladder)trans-158.3133.7168.6-179.5176.7175.91674.4108.2S213 F215 D240 S241 W243S213-R238 PolarHBondContact O-NH1 3.17Å; F215-R238 HydrophobicContact CD1-CB 3.29Å; F215-R238 HydrophobicContact CD1-CG 4.31Å; F215-R238 HydrophobicContact CE1-CB 3.43Å; F215-R238 VanDerWaalsContact CE1-CB 3.43Å; F215-R238 HydrophobicContact CE1-CG 4.26Å; F215-R238 HydrophobicContact CG-CB 4.05Å; F215-R238 HydrophobicContact CZ-CB 4.28Å; R238-D240 PolarHBondContact O-N 3.19Å; R238-S241 PolarHBondContact N-O 2.8Å; R238-S241 PolarHBondContact O-N 3.27Å; R238-S241 VanDerWaalsContact O-N 3.1Å; R238-W243 HydrophobicContact CB-CZ3 4.44Å
239D90.7Very high91.3Very high145 Ų14537.3 Ų37.378%0.77518%0.182SC*.THydrogen-bonded Turntrans51.9-135.8-174.3-46.5-41.7000110S241D239-S241 PolarHBondContact O-N 3.47Å
240D92.8Very high91.6Very high78 Ų7835.4 Ų35.442%0.41717%0.17SC..THydrogen-bonded Turntrans-84.422.6178.6-77.9-34.9000113.9R238 K282 S283R238-D240 PolarHBondContact O-N 3.19Å; D240-K282 HydrophobicContact CB-CB 4.14Å; D240-K282 HydrophobicContact CB-CD 4.03Å; D240-K282 HydrophobicContact CB-CG 4.07Å; D240-K282 PolarHBondContact O-N 2.99Å; D240-K282 IonicContact OD1-NZ 3.28Å; D240-K282 WeakPolarHBondContact OD2-CD 3.35Å; D240-K282 WeakPolarHBondContact OD2-CE 3.43Å; D240-K282 IonicContact OD2-NZ 2.79Å; D240-K282 PolarHBondContact OD2-NZ 3.42Å; D240-S283 PolarHBondContact O-N 3.39Å
241S93.9Very high92Very high29 Ų2935.5 Ų35.520%0.20317%0.17CC..EExtended strand (participates in β ladder)trans-131.9141.1-171.7-58.60000113T237 R238 D239 W243 S283T237-S241 WeakPolarHBondContact CA-O 3.44Å; R238-S241 PolarHBondContact N-O 2.8Å; R238-S241 PolarHBondContact O-N 3.27Å; R238-S241 VanDerWaalsContact O-N 3.1Å; D239-S241 PolarHBondContact O-N 3.47Å; S241-W243 VanDerWaalsContact CB-CZ3 3.49Å; S241-W243 VanDerWaalsContact O-CZ3 3.31Å; S241-W243 WeakPolarHBondContact O-CZ3 3.45Å; S241-S283 WeakPolarHBondContact CA-O 3.16Å; S241-S283 WeakPolarHBondContact CB-OG 3.35Å; S241-S283 PolarHBondContact OG-OG 2.86Å
242C93.5Very high91.9Very high0 Ų029 Ų290%014%0.142CC..EExtended strand (participates in β ladder)trans-130.9149.4175.171.60000112.2L235 F236 T237 T279 A281 S283 F284 G285L235-C242 HydrophobicContact CD1-CB 4.42Å; F236-C242 CarbonylContact O-C 3.59Å; F236-C242 WeakPolarHBondContact O-CA 3.37Å; T237-C242 HydrophobicContact CG2-CB 3.63Å; C242-T279 HydrophobicContact CB-CG2 4Å; C242-T279 PolarHBondContact SG-OG1 2.99Å; C242-T279 VanDerWaalsContact SG-OG1 3.38Å; C242-A281 HydrophobicContact CB-CB 3.82Å; C242-S283 PolarHBondContact N-O 3Å; C242-F284 CarbonylContact O-C 3.6Å; C242-F284 VanDerWaalsContact O-CA 3.3Å; C242-F284 WeakPolarHBondContact O-CA 3.44Å; C242-G285 PolarHBondContact O-N 2.73Å
243W93.6Very high91.4Very high57 Ų5732 Ų3222%0.21616%0.161CC..EExtended strand (participates in β ladder)trans-135.1137.5-178.8-63.6-94.4000111.5F215 L235 F236 R238 S241 G285 A307F215-W243 HydrophobicContact CD1-CE3 4.37Å; F215-W243 HydrophobicContact CD1-CZ3 4.07Å; F215-W243 HydrophobicContact CE1-CE3 4.01Å; F215-W243 AromaticContact CE1-CH2 3.98Å; F215-W243 HydrophobicContact CE1-CH2 3.98Å; F215-W243 AromaticContact CE1-CZ3 3.5Å; F215-W243 HydrophobicContact CE1-CZ3 3.5Å; L235-W243 CarbonylContact C-O 3.56Å; L235-W243 WeakPolarHBondContact CA-O 3.33Å; F236-W243 HydrophobicContact CD2-CB 3.98Å; F236-W243 HydrophobicContact CD2-CD2 4.28Å; F236-W243 AromaticContact CD2-CE3 3.74Å; F236-W243 HydrophobicContact CD2-CE3 3.74Å; F236-W243 HydrophobicContact CD2-CG 4.43Å; F236-W243 HydrophobicContact CE1-CB 4.09Å; F236-W243 HydrophobicContact CE2-CB 3.47Å; F236-W243 VanDerWaalsContact CE2-CB 3.47Å; F236-W243 AromaticContact CE2-CD2 3.78Å; F236-W243 HydrophobicContact CE2-CD2 3.78Å; F236-W243 AromaticContact CE2-CE3 3.67Å; F236-W243 HydrophobicContact CE2-CE3 3.67Å; F236-W243 AromaticContact CE2-CG 3.73Å; F236-W243 HydrophobicContact CE2-CG 3.73Å; F236-W243 HydrophobicContact CG-CB 4.5Å; F236-W243 HydrophobicContact CZ-CB 3.52Å; F236-W243 HydrophobicContact CZ-CG 4.08Å; F236-W243 PolarHBondContact N-O 3.4Å; F236-W243 PolarHBondContact O-N 3.04Å; R238-W243 HydrophobicContact CB-CZ3 4.44Å; S241-W243 VanDerWaalsContact CB-CZ3 3.49Å; S241-W243 VanDerWaalsContact O-CZ3 3.31Å; S241-W243 WeakPolarHBondContact O-CZ3 3.45Å; W243-G285 CarbonylContact C-O 3.52Å; W243-G285 WeakPolarHBondContact CA-O 3.37Å; W243-A307 HydrophobicContact CD2-CB 4.39Å; W243-A307 HydrophobicContact CG-CB 4.2Å
244V92.4Very high90.4Very high0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-105.5125.2166.7164.60000109.3P232 L234 L235 Y268 F271 F284 G285 G287P232-V244 HydrophobicContact CB-CG1 3.33Å; P232-V244 HydrophobicContact CG-CG1 3.77Å; P232-V244 HydrophobicContact CG-CG2 4.32Å; L234-V244 WeakPolarHBondContact O-CA 3.47Å; L235-V244 HydrophobicContact CB-CG2 4.37Å; L235-V244 HydrophobicContact CD1-CG2 3.76Å; V244-Y268 HydrophobicContact CG1-CD1 3.66Å; V244-Y268 HydrophobicContact CG1-CD2 4.48Å; V244-Y268 HydrophobicContact CG1-CE1 4.37Å; V244-Y268 HydrophobicContact CG1-CG 3.74Å; V244-F271 HydrophobicContact CB-CD1 4.31Å; V244-F271 HydrophobicContact CG2-CD1 3.35Å; V244-F271 HydrophobicContact CG2-CE1 3.48Å; V244-F271 VanDerWaalsContact CG2-CE1 3.48Å; V244-F271 HydrophobicContact CG2-CG 4.4Å; V244-F284 HydrophobicContact CB-CE2 4.27Å; V244-F284 HydrophobicContact CB-CZ 4.12Å; V244-F284 HydrophobicContact CG2-CE2 4.01Å; V244-F284 HydrophobicContact CG2-CZ 4.26Å; V244-G285 PolarHBondContact N-O 2.86Å; V244-G287 PolarHBondContact O-N 2.76Å
245V91.8Very high89.5Confident10 Ų1035.6 Ų35.66%0.06119%0.19CC..EExtended strand (participates in β ladder)trans-125.7136.2179.3179.50000110.9L206 L234 F236 G287 V289L206-V245 HydrophobicContact CD2-CG1 3.89Å; L234-V245 PolarHBondContact N-O 3.43Å; L234-V245 VanDerWaalsContact N-O 3.08Å; L234-V245 PolarHBondContact O-N 3.43Å; F236-V245 HydrophobicContact CE1-CB 4.03Å; F236-V245 HydrophobicContact CE1-CG2 3.47Å; F236-V245 VanDerWaalsContact CE1-CG2 3.47Å; F236-V245 HydrophobicContact CZ-CG2 3.76Å; V245-G287 WeakPolarHBondContact CA-O 3.43Å; V245-V289 HydrophobicContact CG1-CG2 4.09Å
246N90.8Very high89.1Confident5 Ų537.4 Ų37.43%0.02720%0.202CC..EExtended strand (participates in β ladder)trans-121.7140.8175.5-168.9-57.2000111.2Y233 K264 Y268 G287 A288 V289Y233-N246 HydrophobicContact CD2-CB 4.22Å; Y233-N246 WeakPolarHBondContact CD2-ND2 3.44Å; Y233-N246 WeakPolarHBondContact CD2-OD1 3.39Å; Y233-N246 WeakPolarHBondContact CE2-OD1 3.48Å; N246-K264 HydrophobicContact CB-CD 4.46Å; N246-K264 PolarHBondContact OD1-NZ 3.3Å; N246-Y268 HydrophobicContact CB-CD2 4.04Å; N246-Y268 HydrophobicContact CB-CE2 3.47Å; N246-Y268 VanDerWaalsContact CB-CE2 3.47Å; N246-Y268 WeakPolarHBondContact ND2-CE2 3.47Å; N246-Y268 PolarHBondContact ND2-OH 3.06Å; N246-G287 PolarHBondContact N-O 2.86Å; N246-A288 CarbonylContact O-C 3.55Å; N246-A288 WeakPolarHBondContact O-CA 3.42Å; N246-V289 PolarHBondContact O-N 3.43Å
247V91.5Very high88.8Confident1 Ų137.2 Ų37.21%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-95.3137.9175.3178.30000110.9H199 I202 L203 L206 Y233 K264 V289H199-V247 PolarHBondContact NE2-O 3.1Å; I202-V247 HydrophobicContact CB-CG1 4.16Å; I202-V247 HydrophobicContact CG2-CG1 3.73Å; I202-V247 HydrophobicContact CG2-CG2 4.4Å; L203-V247 HydrophobicContact CD1-CG2 3.78Å; L206-V247 HydrophobicContact CD2-CG2 4.07Å; Y233-V247 HydrophobicContact CD2-CB 4.5Å; Y233-V247 WeakPolarHBondContact CE2-O 3.5Å; V247-K264 PolarHBondContact O-NZ 3.4Å; V247-V289 CarbonylContact C-O 3.57Å; V247-V289 WeakPolarHBondContact CA-O 3.26Å; V247-V289 HydrophobicContact CG2-CB 4.32Å
248A92.1Very high88.5Confident7 Ų738.7 Ų38.76%0.05821%0.208CC..EExtended strand (participates in β ladder)trans-139.9143.4177.100000112K264 V289 V290 I291A248-K264 HydrophobicContact CB-CD 3.68Å; A248-V289 PolarHBondContact N-O 3.12Å; A248-V290 HydrophobicContact CB-CG1 4.16Å; A248-V290 HydrophobicContact CB-CG2 4.11Å; A248-V290 WeakPolarHBondContact O-CA 3.34Å; A248-I291 PolarHBondContact O-N 3.31Å
249I93.2Very high88.4Confident20 Ų2040.6 Ų40.610%0.10322%0.216CC..  trans-128.766.7179.3-43.2176.5000111.3Q186 R198 H199 I202 I291Q186-I249 PolarHBondContact OE1-O 3.12Å; R198-I249 HydrophobicContact CB-CD1 4.5Å; R198-I249 HydrophobicContact CG-CD1 3.82Å; H199-I249 HydrophobicContact CB-CD1 4.16Å; I202-I249 HydrophobicContact CD1-CD1 3.55Å; I202-I249 HydrophobicContact CD1-CG1 3.96Å; I249-I291 WeakPolarHBondContact CA-O 3.23Å; I249-I291 WeakPolarHBondContact CG2-O 3.14Å
250P92.5Very high88.4Confident20 Ų2034.5 Ų34.513%0.1318%0.184CC..  trans-68.5158.4-178.931.4-35.7000111.4C260 V290 G292 A293P250-C260 HydrophobicContact CG-CB 4.18Å; P250-V290 VanDerWaalsContact CD-CG1 3.46Å; P250-V290 HydrophobicContact CG-CG1 3.62Å; P250-G292 CarbonylContact O-C 3.36Å; P250-G292 VanDerWaalsContact O-CA 3.28Å; P250-G292 WeakPolarHBondContact O-CA 3.46Å; P250-A293 PolarHBondContact O-N 3.13Å
251W91.5Very high88.3Confident17 Ų1731.3 Ų31.36%0.06417%0.167CC..  trans-75.7126.8161.6-169.3-101.5000109.2L181 S185 Q186 T253 T254 A293 Q294L181-W251 HydrophobicContact CB-CH2 4.1Å; L181-W251 HydrophobicContact CD2-CH2 3.72Å; L181-W251 HydrophobicContact CD2-CZ3 4.45Å; L181-W251 HydrophobicContact CG-CH2 3.61Å; L181-W251 HydrophobicContact CG-CZ3 4.03Å; S185-W251 WeakPolarHBondContact OG-CZ3 3.35Å; Q186-W251 HydrophobicContact CG-CB 4.19Å; Q186-W251 HydrophobicContact CG-CE3 4.36Å; W251-T253 PolarHBondContact NE1-OG1 2.94Å; W251-T253 PolarHBondContact O-N 3.48Å; W251-T254 PolarHBondContact O-N 3.07Å; W251-T254 VanDerWaalsContact O-N 3.08Å; W251-A293 HydrophobicContact CD2-CB 4.43Å; W251-A293 HydrophobicContact CE3-CB 3.44Å; W251-A293 VanDerWaalsContact CE3-CB 3.44Å; W251-A293 HydrophobicContact CZ3-CB 3.82Å; W251-Q294 HydrophobicContact CH2-CG 3.67Å; W251-Q294 HydrophobicContact CZ2-CG 4.16Å; W251-Q294 HydrophobicContact CZ3-CG 3.93Å
252E85.6Confident88.1Confident3 Ų332.1 Ų32.11%0.01418%0.175CC..THydrogen-bonded Turntrans-56.4-17.6-168.5-75.985.6163.400114.9E117 F118 V257 G292 A293 Q294 G295 G296E117-E252 HydrophobicContact CB-CG 4.07Å; E117-E252 HydrophobicContact CG-CB 4.05Å; E117-E252 HydrophobicContact CG-CG 4.08Å; F118-E252 HydrophobicContact CE1-CG 4.36Å; E252-V257 HydrophobicContact CG-CG2 4.26Å; E252-G292 VanDerWaalsContact CD-CA 3.45Å; E252-G292 WeakPolarHBondContact OE1-CA 3.41Å; E252-A293 PolarHBondContact OE1-N 3.22Å; E252-A293 PolarHBondContact OE2-N 2.78Å; E252-A293 VanDerWaalsContact OE2-N 3.12Å; E252-Q294 VanDerWaalsContact CD-N 3.33Å; E252-Q294 VanDerWaalsContact OE1-CA 3.26Å; E252-Q294 WeakPolarHBondContact OE1-CA 3.29Å; E252-Q294 VanDerWaalsContact OE1-CB 3.31Å; E252-Q294 WeakPolarHBondContact OE1-CB 3.43Å; E252-Q294 PolarHBondContact OE1-N 2.86Å; E252-Q294 WeakPolarHBondContact OE2-CG 3.48Å; E252-Q294 PolarHBondContact OE2-N 3.45Å; E252-Q294 VanDerWaalsContact OE2-N 3.1Å; E252-G295 PolarHBondContact OE1-N 2.88Å; E252-G296 PolarHBondContact OE1-N 3.4Å; E252-G296 VanDerWaalsContact OE1-N 3.1Å
253T77Confident88.1Confident67 Ų6736 Ų3641%0.41119%0.193SC..THydrogen-bonded Turntrans-97.7-22.8-175810000113.1T113 W251T113-T253 HydrophobicContact CG2-CG2 3.17Å; W251-T253 PolarHBondContact NE1-OG1 2.94Å; W251-T253 PolarHBondContact O-N 3.48Å
254T67.9Low87.9Confident106 Ų10635.6 Ų35.665%0.6519%0.193SC*.THydrogen-bonded Turntrans-82.4-44-175.7-51.80000110.7W251W251-T254 PolarHBondContact O-N 3.07Å; W251-T254 VanDerWaalsContact O-N 3.08Å
255V75Confident87.9Confident37 Ų3736.6 Ų36.622%0.22420%0.2CC..SBendtrans-141.6128.9175.4-176.10000106.2R259 C260V255-R259 HydrophobicContact CG1-CB 3.83Å; V255-R259 HydrophobicContact CG1-CG 3.78Å; V255-C260 HydrophobicContact CG1-CB 4.01Å
256S84.9Confident87.9Confident40 Ų4044.9 Ų44.928%0.2823%0.23SC..  trans-59145.8174.568.30000109.7N258 R259 C260S256-N258 PolarHBondContact O-N 3.36Å; S256-R259 PolarHBondContact O-N 3.07Å; S256-R259 WeakPolarHBondContact OG-CB 3.47Å; S256-R259 PolarHBondContact OG-N 3.37Å; S256-C260 PolarHBondContact O-N 2.8Å
257V87.4Confident87.9Confident0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-58.2-38.1-175.4-173.80000110.4E117 E252 C260 H261 V290 C298E117-V257 HydrophobicContact CB-CG2 4.31Å; E117-V257 HydrophobicContact CG-CG2 4.24Å; E252-V257 HydrophobicContact CG-CG2 4.26Å; V257-C260 PolarHBondContact O-N 3.49Å; V257-H261 PolarHBondContact O-N 2.96Å; V257-V290 HydrophobicContact CB-CG1 4.42Å; V257-V290 HydrophobicContact CG1-CB 3.78Å; V257-V290 HydrophobicContact CG1-CG1 3.49Å; V257-V290 VanDerWaalsContact CG1-CG1 3.49Å; V257-V290 WeakPolarHBondContact CG1-O 3.47Å; V257-C298 HydrophobicContact CG1-CB 3.87Å; V257-C298 VanDerWaalsContact CG1-N 3.3Å
258N88Confident87.8Confident60 Ų6050.2 Ų50.232%0.32125%0.253SS..Hα-helixtrans-66.2-38.6175.6-61.3-29000113.2S256 H261 A262 C298 R299S256-N258 PolarHBondContact O-N 3.36Å; N258-H261 PolarHBondContact O-N 3.48Å; N258-A262 PolarHBondContact O-N 3.37Å; N258-C298 PolarHBondContact OD1-SG 3.39Å; N258-R299 PolarHBondContact OD1-N 2.92Å
259R89.8Confident87.7Confident150 Ų15053.8 Ų53.857%0.56627%0.268SS*.Hα-helixtrans-67.1-44.2177.3176.7175171.3178.71.7110.7V255 S256 H261 A262 E263V255-R259 HydrophobicContact CG1-CB 3.83Å; V255-R259 HydrophobicContact CG1-CG 3.78Å; S256-R259 PolarHBondContact O-N 3.07Å; S256-R259 WeakPolarHBondContact OG-CB 3.47Å; S256-R259 PolarHBondContact OG-N 3.37Å; R259-H261 VanDerWaalsContact C-N 3.29Å; R259-H261 PolarHBondContact O-N 3.13Å; R259-A262 PolarHBondContact O-N 2.91Å; R259-E263 HydrophobicContact CG-CG 4.39Å; R259-E263 WeakPolarHBondContact CG-OE1 3.23Å; R259-E263 IonicContact CZ-OE1 3Å; R259-E263 IonicContact NE-OE1 3.89Å; R259-E263 PolarHBondContact NE-OE1 3.09Å; R259-E263 IonicContact NH2-OE1 2.62Å; R259-E263 PolarHBondContact NH2-OE1 3.43Å; R259-E263 WeakPolarHBondContact O-CG 3.41Å; R259-E263 PolarHBondContact O-N 2.98Å
260C90.7Very high87.6Confident17 Ų1760.7 Ų60.712%0.11529%0.293CS..Hα-helixtrans-59.8-40.6175.7-175.10000111.6P250 V255 S256 V257 K264 V290P250-C260 HydrophobicContact CG-CB 4.18Å; V255-C260 HydrophobicContact CG1-CB 4.01Å; S256-C260 PolarHBondContact O-N 2.8Å; V257-C260 PolarHBondContact O-N 3.49Å; C260-K264 PolarHBondContact O-N 3.23Å; C260-V290 HydrophobicContact CB-CG1 3.96Å
261H90.8Very high87.3Confident11 Ų1159.8 Ų59.85%0.05129%0.287CS..Hα-helixtrans-59.4-52.1173.4175.3-74.2000111.2V257 N258 R259 E263 K264 C265 A288 V290 S304V257-H261 PolarHBondContact O-N 2.96Å; N258-H261 PolarHBondContact O-N 3.48Å; R259-H261 VanDerWaalsContact C-N 3.29Å; R259-H261 PolarHBondContact O-N 3.13Å; H261-E263 PolarHBondContact O-N 3.35Å; H261-K264 PolarHBondContact O-N 3.22Å; H261-C265 PolarHBondContact CE1-SG 3Å; H261-C265 PolarHBondContact O-N 3.1Å; H261-A288 PolarHBondContact CD2-O 3.42Å; H261-V290 HydrophobicContact CB-CG2 3.76Å; H261-S304 PolarHBondContact CE1-OG 2.93Å; H261-S304 VanDerWaalsContact CE1-OG 3.3Å; H261-S304 PolarHBondContact NE2-OG 3.36Å
262A91.1Very high87.2Confident47 Ų4763.7 Ų63.739%0.38831%0.305SS..Hα-helixtrans-60.4-42.1-17900000112.8N258 R259 R266N258-A262 PolarHBondContact O-N 3.37Å; R259-A262 PolarHBondContact O-N 2.91Å; A262-R266 WeakPolarHBondContact O-CB 3.34Å; A262-R266 PolarHBondContact O-N 2.89Å
263E91.9Very high87.4Confident81 Ų8171.1 Ų71.138%0.37933%0.332SS..Hα-helixtrans-63.7-41.2177-73.7172.617700111.8R259 H261 R266 K267R259-E263 HydrophobicContact CG-CG 4.39Å; R259-E263 WeakPolarHBondContact CG-OE1 3.23Å; R259-E263 IonicContact CZ-OE1 3Å; R259-E263 IonicContact NE-OE1 3.89Å; R259-E263 PolarHBondContact NE-OE1 3.09Å; R259-E263 IonicContact NH2-OE1 2.62Å; R259-E263 PolarHBondContact NH2-OE1 3.43Å; R259-E263 WeakPolarHBondContact O-CG 3.41Å; R259-E263 PolarHBondContact O-N 2.98Å; H261-E263 PolarHBondContact O-N 3.35Å; E263-R266 PolarHBondContact O-N 3.48Å; E263-K267 WeakPolarHBondContact O-CB 2.94Å; E263-K267 PolarHBondContact O-N 3.31Å
264K90.8Very high87.9Confident49 Ų4968.6 Ų68.621%0.21332%0.319CS..Hα-helixtrans-69.3-44.2176.7-79.1-177.5175.3-116.40112.7N246 V247 A248 C260 H261 R266 K267 Y268 A288N246-K264 HydrophobicContact CB-CD 4.46Å; N246-K264 PolarHBondContact OD1-NZ 3.3Å; V247-K264 PolarHBondContact O-NZ 3.4Å; A248-K264 HydrophobicContact CB-CD 3.68Å; C260-K264 PolarHBondContact O-N 3.23Å; H261-K264 PolarHBondContact O-N 3.22Å; K264-R266 VanDerWaalsContact C-N 3.32Å; K264-R266 PolarHBondContact O-N 2.75Å; K264-K267 WeakPolarHBondContact O-CB 3.48Å; K264-K267 PolarHBondContact O-N 3.21Å; K264-Y268 WeakPolarHBondContact O-CD2 3.24Å; K264-Y268 PolarHBondContact O-N 2.97Å; K264-A288 HydrophobicContact CB-CB 3.71Å; K264-A288 HydrophobicContact CD-CB 4.3Å
265C91.4Very high88.9Confident21 Ų2163.6 Ų63.614%0.14229%0.288CS..Hα-helixtrans-56.4-48.3172.9-770000111.1H261 K267 Y268 E269 A286H261-C265 PolarHBondContact CE1-SG 3Å; H261-C265 PolarHBondContact O-N 3.1Å; C265-K267 VanDerWaalsContact C-N 3.33Å; C265-K267 PolarHBondContact O-N 2.83Å; C265-Y268 PolarHBondContact O-N 2.89Å; C265-E269 WeakPolarHBondContact O-CB 3.37Å; C265-E269 PolarHBondContact O-N 2.84Å; C265-A286 WeakPolarHBondContact O-CB 3.29Å; C265-A286 PolarHBondContact SG-O 3.37Å; C265-A286 VanDerWaalsContact SG-O 3.39Å
266R92.2Very high89.6Confident183 Ų18363.8 Ų63.869%0.69129%0.288SS*.Hα-helixtrans-60.1-41.1177.2-171.7-172.9-61174.5-0.4112.6A262 E263 K264 Y268A262-R266 WeakPolarHBondContact O-CB 3.34Å; A262-R266 PolarHBondContact O-N 2.89Å; E263-R266 PolarHBondContact O-N 3.48Å; K264-R266 VanDerWaalsContact C-N 3.32Å; K264-R266 PolarHBondContact O-N 2.75Å; R266-Y268 VanDerWaalsContact C-N 3.35Å; R266-Y268 PolarHBondContact O-N 3.37Å
267K90.1Very high89.8Confident112 Ų11271 Ų7149%0.48731%0.314SS..Hα-helixtrans-59.1-46.2176.9-179.9178.3179.6175.80111.4E263 K264 C265E263-K267 WeakPolarHBondContact O-CB 2.94Å; E263-K267 PolarHBondContact O-N 3.31Å; K264-K267 WeakPolarHBondContact O-CB 3.48Å; K264-K267 PolarHBondContact O-N 3.21Å; C265-K267 VanDerWaalsContact C-N 3.33Å; C265-K267 PolarHBondContact O-N 2.83Å
268Y90.3Very high89.9Confident6 Ų676.1 Ų76.12%0.02434%0.341CS..Hα-helixtrans-87.9-11.5-176-68.5-68.4000114.2K231 P232 V244 N246 K264 C265 R266 R270 F271 F284K231-Y268 PolarHBondContact O-OH 3.25Å; P232-Y268 HydrophobicContact CB-CD1 4Å; P232-Y268 HydrophobicContact CB-CE1 3.55Å; P232-Y268 HydrophobicContact CG-CD1 4.32Å; P232-Y268 HydrophobicContact CG-CE1 4Å; V244-Y268 HydrophobicContact CG1-CD1 3.66Å; V244-Y268 HydrophobicContact CG1-CD2 4.48Å; V244-Y268 HydrophobicContact CG1-CE1 4.37Å; V244-Y268 HydrophobicContact CG1-CG 3.74Å; N246-Y268 HydrophobicContact CB-CD2 4.04Å; N246-Y268 HydrophobicContact CB-CE2 3.47Å; N246-Y268 VanDerWaalsContact CB-CE2 3.47Å; N246-Y268 WeakPolarHBondContact ND2-CE2 3.47Å; N246-Y268 PolarHBondContact ND2-OH 3.06Å; K264-Y268 WeakPolarHBondContact O-CD2 3.24Å; K264-Y268 PolarHBondContact O-N 2.97Å; C265-Y268 PolarHBondContact O-N 2.89Å; R266-Y268 VanDerWaalsContact C-N 3.35Å; R266-Y268 PolarHBondContact O-N 3.37Å; Y268-R270 PolarHBondContact O-N 3.04Å; Y268-F271 WeakPolarHBondContact O-CB 3.03Å; Y268-F271 PolarHBondContact O-N 3.06Å; Y268-F284 WeakPolarHBondContact O-CZ 3.5Å
269E90.7Very high90Very high82 Ų8275.3 Ų75.338%0.38334%0.338SS..Hα-helixtrans-62.5-31171.6-166.858.9-148.700111.8C265 F271 K272 A286C265-E269 WeakPolarHBondContact O-CB 3.37Å; C265-E269 PolarHBondContact O-N 2.84Å; E269-F271 PolarHBondContact O-N 3.41Å; E269-F271 VanDerWaalsContact O-N 3.09Å; E269-K272 VanDerWaalsContact O-CB 3.27Å; E269-K272 WeakPolarHBondContact O-CB 3.24Å; E269-K272 PolarHBondContact O-N 3.22Å; E269-A286 HydrophobicContact CB-CB 4.43Å; E269-A286 WeakPolarHBondContact OE2-CB 2.95Å
270R89.5Confident90Very high166 Ų16671.2 Ų71.263%0.62634%0.342SS*.THydrogen-bonded Turntrans-57.5-24.3172.6-60.2-178.7180-170.3-3.1112.8L225 Y268 K272L225-R270 VanDerWaalsContact CD2-O 3.29Å; L225-R270 WeakPolarHBondContact CD2-O 3.26Å; Y268-R270 PolarHBondContact O-N 3.04Å; R270-K272 PolarHBondContact O-N 2.92Å
271F86.3Confident90.1Very high0 Ų071 Ų710%034%0.342CS..THydrogen-bonded Turntrans-75-11.9-180-176.8-109.5000113.4I223 L235 V244 Y268 E269 R273 A274 G275 F284I223-F271 HydrophobicContact CB-CD2 4.26Å; I223-F271 HydrophobicContact CB-CE2 3.45Å; I223-F271 VanDerWaalsContact CB-CE2 3.45Å; I223-F271 HydrophobicContact CB-CZ 4.14Å; I223-F271 HydrophobicContact CD1-CD2 4.09Å; I223-F271 HydrophobicContact CD1-CE1 4.21Å; I223-F271 HydrophobicContact CD1-CE2 3.38Å; I223-F271 HydrophobicContact CD1-CZ 3.42Å; I223-F271 VanDerWaalsContact CD1-CZ 3.42Å; I223-F271 HydrophobicContact CG1-CD2 4.41Å; I223-F271 HydrophobicContact CG1-CE2 3.39Å; I223-F271 HydrophobicContact CG1-CZ 3.54Å; I223-F271 HydrophobicContact CG2-CD2 4.36Å; I223-F271 HydrophobicContact CG2-CE2 3.42Å; I223-F271 VanDerWaalsContact CG2-CE2 3.42Å; I223-F271 HydrophobicContact CG2-CZ 4.16Å; L235-F271 HydrophobicContact CD1-CE1 4.38Å; V244-F271 HydrophobicContact CB-CD1 4.31Å; V244-F271 HydrophobicContact CG2-CD1 3.35Å; V244-F271 HydrophobicContact CG2-CE1 3.48Å; V244-F271 VanDerWaalsContact CG2-CE1 3.48Å; V244-F271 HydrophobicContact CG2-CG 4.4Å; Y268-F271 WeakPolarHBondContact O-CB 3.03Å; Y268-F271 PolarHBondContact O-N 3.06Å; E269-F271 PolarHBondContact O-N 3.41Å; E269-F271 VanDerWaalsContact O-N 3.09Å; F271-R273 VanDerWaalsContact C-N 3.33Å; F271-R273 PolarHBondContact O-N 2.95Å; F271-R273 VanDerWaalsContact O-N 3.12Å; F271-A274 HydrophobicContact CD2-CB 3.74Å; F271-A274 HydrophobicContact CE2-CB 3.41Å; F271-A274 VanDerWaalsContact CE2-CB 3.41Å; F271-A274 HydrophobicContact CZ-CB 4.17Å; F271-A274 PolarHBondContact O-N 2.86Å; F271-G275 VanDerWaalsContact CZ-N 3.35Å; F271-G275 PolarHBondContact O-N 3.49Å; F271-F284 HydrophobicContact CB-CZ 4.15Å; F271-F284 AromaticContact CD1-CE2 3.56Å; F271-F284 HydrophobicContact CD1-CE2 3.56Å; F271-F284 AromaticContact CD1-CZ 3.8Å; F271-F284 HydrophobicContact CD1-CZ 3.8Å; F271-F284 HydrophobicContact CE1-CE2 4.17Å; F271-F284 HydrophobicContact CG-CZ 4.48Å
272K90Very high90.3Very high100 Ų10078 Ų7844%0.43537%0.372SS..Hα-helixtrans-44.2-52.5-173.8176.9166.2-177.3178.90114E269 R270 A274 G275 L276 F284E269-K272 VanDerWaalsContact O-CB 3.27Å; E269-K272 WeakPolarHBondContact O-CB 3.24Å; E269-K272 PolarHBondContact O-N 3.22Å; R270-K272 PolarHBondContact O-N 2.92Å; K272-A274 PolarHBondContact O-N 3.25Å; K272-G275 PolarHBondContact O-N 2.89Å; K272-L276 HydrophobicContact CG-CD1 3.96Å; K272-L276 VanDerWaalsContact O-CG 3.23Å; K272-L276 WeakPolarHBondContact O-CG 3.39Å; K272-L276 PolarHBondContact O-N 3.15Å; K272-F284 HydrophobicContact CB-CB 4.35Å; K272-F284 HydrophobicContact CB-CD1 3.54Å; K272-F284 HydrophobicContact CB-CE1 3.98Å; K272-F284 HydrophobicContact CB-CG 3.93Å; K272-F284 HydrophobicContact CD-CB 4.31Å; K272-F284 HydrophobicContact CD-CD1 4.28Å; K272-F284 HydrophobicContact CG-CB 3.78Å; K272-F284 HydrophobicContact CG-CD1 3.85Å; K272-F284 HydrophobicContact CG-CG 3.92Å
273R89.4Confident90.4Very high158 Ų15878.1 Ų78.160%0.59637%0.37SS*.Hα-helixtrans-62.2-44.2-178.3-169.9177.267.8-175.3-5.6112.4E226 F271 K277E226-R273 IonicContact OE1-CZ 3.62Å; E226-R273 IonicContact OE1-NH1 3.55Å; E226-R273 IonicContact OE1-NH2 2.74Å; E226-R273 PolarHBondContact OE1-NH2 3.43Å; F271-R273 VanDerWaalsContact C-N 3.33Å; F271-R273 PolarHBondContact O-N 2.95Å; F271-R273 VanDerWaalsContact O-N 3.12Å; R273-K277 WeakPolarHBondContact O-CB 3.43Å; R273-K277 PolarHBondContact O-N 3.08Å; R273-K277 VanDerWaalsContact O-N 3.16Å
274A88Confident90.5Very high15 Ų1575.4 Ų75.412%0.12436%0.357CS..Hα-helixtrans-70.8-39179.200000111.9I223 L225 F271 K272 K277 L278I223-A274 HydrophobicContact CG2-CB 4.08Å; L225-A274 HydrophobicContact CD1-CB 4.3Å; F271-A274 HydrophobicContact CD2-CB 3.74Å; F271-A274 HydrophobicContact CE2-CB 3.41Å; F271-A274 VanDerWaalsContact CE2-CB 3.41Å; F271-A274 HydrophobicContact CZ-CB 4.17Å; F271-A274 PolarHBondContact O-N 2.86Å; K272-A274 PolarHBondContact O-N 3.25Å; A274-K277 PolarHBondContact O-N 3.47Å; A274-L278 VanDerWaalsContact O-CB 3.24Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.25Å
275G88Confident90.5Very high0 Ų073.8 Ų73.80%035%0.354CS..Hα-helixtrans-61.8-47176.300000112.6F271 K272 L278 T279F271-G275 VanDerWaalsContact CZ-N 3.35Å; F271-G275 PolarHBondContact O-N 3.49Å; K272-G275 PolarHBondContact O-N 2.89Å; G275-L278 PolarHBondContact O-N 3.1Å; G275-T279 WeakPolarHBondContact O-CB 3.32Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 3.16Å; G275-T279 PolarHBondContact O-OG1 3.09Å
276L91.3Very high90.5Very high42 Ų4273.4 Ų73.422%0.2235%0.353CS..Hα-helixtrans-62.3-43.8176.1-64.3171.2000111.3K272 L278 T279 G280 A281 F284K272-L276 HydrophobicContact CG-CD1 3.96Å; K272-L276 VanDerWaalsContact O-CG 3.23Å; K272-L276 WeakPolarHBondContact O-CG 3.39Å; K272-L276 PolarHBondContact O-N 3.15Å; L276-L278 PolarHBondContact O-N 2.96Å; L276-T279 PolarHBondContact O-N 3.17Å; L276-G280 WeakPolarHBondContact O-CA 3.44Å; L276-G280 PolarHBondContact O-N 3.29Å; L276-A281 HydrophobicContact CD2-CB 4.22Å; L276-A281 WeakPolarHBondContact CD2-O 3.14Å; L276-F284 HydrophobicContact CD2-CB 3.96Å; L276-F284 HydrophobicContact CG-CB 4.18Å
277K89.1Confident90.4Very high192 Ų19265 Ų6584%0.83532%0.323SS*.Hα-helixtrans-63.1-42.7177-174.8178179.2-179.50112.7R273 A274 T279R273-K277 WeakPolarHBondContact O-CB 3.43Å; R273-K277 PolarHBondContact O-N 3.08Å; R273-K277 VanDerWaalsContact O-N 3.16Å; A274-K277 PolarHBondContact O-N 3.47Å; K277-T279 VanDerWaalsContact C-N 3.33Å
278L88Confident90.5Very high107 Ų10760 Ų6056%0.5630%0.302SS*.Hα-helixtrans-69.3-32.6-177.8-175.769.1000112.2I223 L235 A274 G275 L276I223-L278 HydrophobicContact CG1-CD2 4.31Å; L235-L278 HydrophobicContact CD2-CD2 3.64Å; A274-L278 VanDerWaalsContact O-CB 3.24Å; A274-L278 WeakPolarHBondContact O-CB 3.45Å; A274-L278 PolarHBondContact O-N 3.25Å; G275-L278 PolarHBondContact O-N 3.1Å; L276-L278 PolarHBondContact O-N 2.96Å
279T89.9Confident90.5Very high43 Ų4360.7 Ų60.726%0.26431%0.307SS..Hα-helixtrans-105.7-16.3-171.459.60000114.3L235 T237 C242 G275 L276 K277 A281L235-T279 HydrophobicContact CD1-CG2 4.16Å; L235-T279 HydrophobicContact CD2-CG2 3.96Å; L235-T279 HydrophobicContact CG-CG2 4.36Å; T237-T279 HydrophobicContact CG2-CG2 3.37Å; C242-T279 HydrophobicContact CB-CG2 4Å; C242-T279 PolarHBondContact SG-OG1 2.99Å; C242-T279 VanDerWaalsContact SG-OG1 3.38Å; G275-T279 WeakPolarHBondContact O-CB 3.32Å; G275-T279 WeakPolarHBondContact O-CG2 3.39Å; G275-T279 PolarHBondContact O-N 3.16Å; G275-T279 PolarHBondContact O-OG1 3.09Å; L276-T279 PolarHBondContact O-N 3.17Å; K277-T279 VanDerWaalsContact C-N 3.33Å; T279-A281 PolarHBondContact O-N 3.17Å; T279-A281 WeakPolarHBondContact OG1-CB 3.46Å; T279-A281 PolarHBondContact OG1-N 3.43Å
280G91.3Very high90.6Very high64 Ų6457 Ų5766%0.6629%0.29SS*.  trans713.3-171.100000114.3L276L276-G280 WeakPolarHBondContact O-CA 3.44Å; L276-G280 PolarHBondContact O-N 3.29Å
281A93.1Very high90.7Very high12 Ų1250.1 Ų50.110%0.09927%0.266CS..  trans-66.4157.3179.500000112.2C242 L276 T279C242-A281 HydrophobicContact CB-CB 3.82Å; L276-A281 HydrophobicContact CD2-CB 4.22Å; L276-A281 WeakPolarHBondContact CD2-O 3.14Å; T279-A281 PolarHBondContact O-N 3.17Å; T279-A281 WeakPolarHBondContact OG1-CB 3.46Å; T279-A281 PolarHBondContact OG1-N 3.43Å
282K93.4Very high90.9Very high157 Ų15750.2 Ų50.268%0.68327%0.267SS*.SBendtrans-95.5-24.5174.9-58.7177.2-172.4152.90112.6D240D240-K282 HydrophobicContact CB-CB 4.14Å; D240-K282 HydrophobicContact CB-CD 4.03Å; D240-K282 HydrophobicContact CB-CG 4.07Å; D240-K282 PolarHBondContact O-N 2.99Å; D240-K282 IonicContact OD1-NZ 3.28Å; D240-K282 WeakPolarHBondContact OD2-CD 3.35Å; D240-K282 WeakPolarHBondContact OD2-CE 3.43Å; D240-K282 IonicContact OD2-NZ 2.79Å; D240-K282 PolarHBondContact OD2-NZ 3.42Å
283S94.2Very high91Very high51 Ų5146.3 Ų46.336%0.35725%0.253SS..EExtended strand (participates in β ladder)trans-122147.3179.899.50000111.8D240 S241 C242D240-S283 PolarHBondContact O-N 3.39Å; S241-S283 WeakPolarHBondContact CA-O 3.16Å; S241-S283 WeakPolarHBondContact CB-OG 3.35Å; S241-S283 PolarHBondContact OG-OG 2.86Å; C242-S283 PolarHBondContact N-O 3Å
284F92.9Very high91.1Very high24 Ų2438.9 Ų38.911%0.10523%0.225CC..EExtended strand (participates in β ladder)trans-130.7139.6-178.2177.4-96.3000110.1C242 V244 Y268 F271 K272 L276 A286C242-F284 CarbonylContact O-C 3.6Å; C242-F284 VanDerWaalsContact O-CA 3.3Å; C242-F284 WeakPolarHBondContact O-CA 3.44Å; V244-F284 HydrophobicContact CB-CE2 4.27Å; V244-F284 HydrophobicContact CB-CZ 4.12Å; V244-F284 HydrophobicContact CG2-CE2 4.01Å; V244-F284 HydrophobicContact CG2-CZ 4.26Å; Y268-F284 WeakPolarHBondContact O-CZ 3.5Å; F271-F284 HydrophobicContact CB-CZ 4.15Å; F271-F284 AromaticContact CD1-CE2 3.56Å; F271-F284 HydrophobicContact CD1-CE2 3.56Å; F271-F284 AromaticContact CD1-CZ 3.8Å; F271-F284 HydrophobicContact CD1-CZ 3.8Å; F271-F284 HydrophobicContact CE1-CE2 4.17Å; F271-F284 HydrophobicContact CG-CZ 4.48Å; K272-F284 HydrophobicContact CB-CB 4.35Å; K272-F284 HydrophobicContact CB-CD1 3.54Å; K272-F284 HydrophobicContact CB-CE1 3.98Å; K272-F284 HydrophobicContact CB-CG 3.93Å; K272-F284 HydrophobicContact CD-CB 4.31Å; K272-F284 HydrophobicContact CD-CD1 4.28Å; K272-F284 HydrophobicContact CG-CB 3.78Å; K272-F284 HydrophobicContact CG-CD1 3.85Å; K272-F284 HydrophobicContact CG-CG 3.92Å; L276-F284 HydrophobicContact CD2-CB 3.96Å; L276-F284 HydrophobicContact CG-CB 4.18Å; F284-A286 HydrophobicContact CE1-CB 4.02Å; F284-A286 HydrophobicContact CZ-CB 4.43Å
285G91.9Very high91.2Very high15 Ų1538.6 Ų38.616%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-133.1133.8169.100000113.3C242 W243 V244C242-G285 PolarHBondContact O-N 2.73Å; W243-G285 CarbonylContact C-O 3.52Å; W243-G285 WeakPolarHBondContact CA-O 3.37Å; V244-G285 PolarHBondContact N-O 2.86Å
286A91.6Very high91.2Very high13 Ų1338.6 Ų38.611%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-96.8129167.400000111.2C265 E269 F284C265-A286 WeakPolarHBondContact O-CB 3.29Å; C265-A286 PolarHBondContact SG-O 3.37Å; C265-A286 VanDerWaalsContact SG-O 3.39Å; E269-A286 HydrophobicContact CB-CB 4.43Å; E269-A286 WeakPolarHBondContact OE2-CB 2.95Å; F284-A286 HydrophobicContact CE1-CB 4.02Å; F284-A286 HydrophobicContact CZ-CB 4.43Å
287G90.4Very high91Very high6 Ų639 Ų396%0.06222%0.223CC..EExtended strand (participates in β ladder)trans-131.8162.7178.800000113.2V244 V245 N246V244-G287 PolarHBondContact O-N 2.76Å; V245-G287 WeakPolarHBondContact CA-O 3.43Å; N246-G287 PolarHBondContact N-O 2.86Å
288A91.2Very high90.7Very high7 Ų730.1 Ų30.16%0.05818%0.184CC..EExtended strand (participates in β ladder)trans-140.1137.7169.100000110.9N246 H261 K264 V290N246-A288 CarbonylContact O-C 3.55Å; N246-A288 WeakPolarHBondContact O-CA 3.42Å; H261-A288 PolarHBondContact CD2-O 3.42Å; K264-A288 HydrophobicContact CB-CB 3.71Å; K264-A288 HydrophobicContact CD-CB 4.3Å; A288-V290 HydrophobicContact CB-CG2 3.95Å
289V91.5Very high89.9Confident20 Ų2031.8 Ų31.812%0.12118%0.183CC..EExtended strand (participates in β ladder)trans-98.5105.81671760000107.2I202 L206 V245 N246 V247 A248 I291I202-V289 HydrophobicContact CG2-CG1 4.37Å; L206-V289 HydrophobicContact CD1-CG2 4.35Å; L206-V289 HydrophobicContact CD2-CG2 3.85Å; V245-V289 HydrophobicContact CG1-CG2 4.09Å; N246-V289 PolarHBondContact O-N 3.43Å; V247-V289 CarbonylContact C-O 3.57Å; V247-V289 WeakPolarHBondContact CA-O 3.26Å; V247-V289 HydrophobicContact CG2-CB 4.32Å; A248-V289 PolarHBondContact N-O 3.12Å; V289-I291 HydrophobicContact CG1-CD1 4.36Å; V289-I291 HydrophobicContact CG1-CG1 4.2Å
290V91.8Very high88.4Confident4 Ų432.4 Ų32.42%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-112.7116.5-178.9-167.80000109.3A248 P250 V257 C260 H261 A288 C298A248-V290 HydrophobicContact CB-CG1 4.16Å; A248-V290 HydrophobicContact CB-CG2 4.11Å; A248-V290 WeakPolarHBondContact O-CA 3.34Å; P250-V290 VanDerWaalsContact CD-CG1 3.46Å; P250-V290 HydrophobicContact CG-CG1 3.62Å; V257-V290 HydrophobicContact CB-CG1 4.42Å; V257-V290 HydrophobicContact CG1-CB 3.78Å; V257-V290 HydrophobicContact CG1-CG1 3.49Å; V257-V290 VanDerWaalsContact CG1-CG1 3.49Å; V257-V290 WeakPolarHBondContact CG1-O 3.47Å; C260-V290 HydrophobicContact CB-CG1 3.96Å; H261-V290 HydrophobicContact CB-CG2 3.76Å; A288-V290 HydrophobicContact CB-CG2 3.95Å; V290-C298 PolarHBondContact O-N 2.92Å
291I91.2Very high86.4Confident22 Ų2232.9 Ų32.911%0.11318%0.178CC..BIsolated β-bridgetrans-122.7115.4176.6-51-174.9000107.1I202 A248 I249 V289 G296 W297I202-I291 HydrophobicContact CD1-CD1 4.02Å; I202-I291 HydrophobicContact CG1-CD1 4.36Å; I202-I291 HydrophobicContact CG2-CD1 4.13Å; A248-I291 PolarHBondContact O-N 3.31Å; I249-I291 WeakPolarHBondContact CA-O 3.23Å; I249-I291 WeakPolarHBondContact CG2-O 3.14Å; V289-I291 HydrophobicContact CG1-CD1 4.36Å; V289-I291 HydrophobicContact CG1-CG1 4.2Å; I291-G296 CarbonylContact C-O 3.52Å; I291-G296 WeakPolarHBondContact CA-O 3.29Å; I291-W297 HydrophobicContact CD1-CH2 3.74Å; I291-W297 HydrophobicContact CD1-CZ2 3.59Å; I291-W297 HydrophobicContact CD1-CZ3 4.27Å; I291-W297 HydrophobicContact CG1-CD2 4.37Å; I291-W297 HydrophobicContact CG1-CE3 4.47Å; I291-W297 HydrophobicContact CG1-CH2 4.4Å; I291-W297 HydrophobicContact CG1-CZ2 4.29Å; I291-W297 HydrophobicContact CG1-CZ3 4.48Å
292G91.9Very high83.9Confident3 Ų337.8 Ų37.83%0.03121%0.207CC..  trans-59.3153.417600000112.4P250 E252 Q294 G295 G296P250-G292 CarbonylContact O-C 3.36Å; P250-G292 VanDerWaalsContact O-CA 3.28Å; P250-G292 WeakPolarHBondContact O-CA 3.46Å; E252-G292 VanDerWaalsContact CD-CA 3.45Å; E252-G292 WeakPolarHBondContact OE1-CA 3.41Å; G292-Q294 PolarHBondContact O-N 2.85Å; G292-Q294 VanDerWaalsContact O-N 3.17Å; G292-G295 WeakPolarHBondContact O-CA 3.4Å; G292-G295 PolarHBondContact O-N 3.38Å; G292-G296 PolarHBondContact N-O 2.9Å
293A92.1Very high81.5Confident18 Ų1836.2 Ų36.215%0.14921%0.211CC..THydrogen-bonded Turntrans-60-25.4-177.200000114.2P250 W251 E252P250-A293 PolarHBondContact O-N 3.13Å; W251-A293 HydrophobicContact CD2-CB 4.43Å; W251-A293 HydrophobicContact CE3-CB 3.44Å; W251-A293 VanDerWaalsContact CE3-CB 3.44Å; W251-A293 HydrophobicContact CZ3-CB 3.82Å; E252-A293 PolarHBondContact OE1-N 3.22Å; E252-A293 PolarHBondContact OE2-N 2.78Å; E252-A293 VanDerWaalsContact OE2-N 3.12Å
294Q91.4Very high79.2Confident1 Ų134.8 Ų34.81%0.00520%0.201CC..THydrogen-bonded Turntrans-96.77.7175-52.7175-61.500112.6F118 V143 R144 S146 W251 E252 G292F118-Q294 HydrophobicContact CE1-CB 3.99Å; F118-Q294 HydrophobicContact CZ-CB 3.66Å; V143-Q294 HydrophobicContact CG1-CB 4.03Å; V143-Q294 HydrophobicContact CG1-CG 3.95Å; V143-Q294 PolarHBondContact O-NE2 3.46Å; R144-Q294 PolarHBondContact NE-O 3.43Å; R144-Q294 VanDerWaalsContact NE-O 3.13Å; S146-Q294 PolarHBondContact OG-NE2 3.41Å; W251-Q294 HydrophobicContact CH2-CG 3.67Å; W251-Q294 HydrophobicContact CZ2-CG 4.16Å; W251-Q294 HydrophobicContact CZ3-CG 3.93Å; E252-Q294 VanDerWaalsContact CD-N 3.33Å; E252-Q294 VanDerWaalsContact OE1-CA 3.26Å; E252-Q294 WeakPolarHBondContact OE1-CA 3.29Å; E252-Q294 VanDerWaalsContact OE1-CB 3.31Å; E252-Q294 WeakPolarHBondContact OE1-CB 3.43Å; E252-Q294 PolarHBondContact OE1-N 2.86Å; E252-Q294 WeakPolarHBondContact OE2-CG 3.48Å; E252-Q294 PolarHBondContact OE2-N 3.45Å; E252-Q294 VanDerWaalsContact OE2-N 3.1Å; G292-Q294 PolarHBondContact O-N 2.85Å; G292-Q294 VanDerWaalsContact O-N 3.17Å
295G89.2Confident76.8Confident9 Ų934.9 Ų34.99%0.09320%0.202CC..SBendtrans88.621.7175.300000114.5S123 E252 G292S123-G295 WeakPolarHBondContact CA-O 3.48Å; E252-G295 PolarHBondContact OE1-N 2.88Å; G292-G295 WeakPolarHBondContact O-CA 3.4Å; G292-G295 PolarHBondContact O-N 3.38Å
296G88.4Confident74.4Confident0 Ų043.1 Ų43.10%023%0.228CC..PPolyproline II helixtrans-73.7129.5171.300000112.1E252 I291 G292E252-G296 PolarHBondContact OE1-N 3.4Å; E252-G296 VanDerWaalsContact OE1-N 3.1Å; I291-G296 CarbonylContact C-O 3.52Å; I291-G296 WeakPolarHBondContact CA-O 3.29Å; G292-G296 PolarHBondContact N-O 2.9Å
297W86.7Confident72.2Confident51 Ų5142.9 Ų42.919%0.19323%0.226CC..BIsolated β-bridgetrans-97.5146.6176.5-75.963.9000111.6R122 S123 I291R122-W297 HydrophobicContact CB-CB 4.11Å; R122-W297 HydrophobicContact CB-CD2 3.9Å; R122-W297 HydrophobicContact CB-CE3 4.41Å; R122-W297 HydrophobicContact CB-CG 3.77Å; R122-W297 PolarHBondContact O-NE1 3.36Å; S123-W297 PolarHBondContact OG-N 3.07Å; I291-W297 HydrophobicContact CD1-CH2 3.74Å; I291-W297 HydrophobicContact CD1-CZ2 3.59Å; I291-W297 HydrophobicContact CD1-CZ3 4.27Å; I291-W297 HydrophobicContact CG1-CD2 4.37Å; I291-W297 HydrophobicContact CG1-CE3 4.47Å; I291-W297 HydrophobicContact CG1-CH2 4.4Å; I291-W297 HydrophobicContact CG1-CZ2 4.29Å; I291-W297 HydrophobicContact CG1-CZ3 4.48Å
298C83Confident70Confident5 Ų543.6 Ų43.63%0.03423%0.231CC..PPolyproline II helixtrans-58.4138.9166.7-171.40000109.3V257 N258 V290V257-C298 HydrophobicContact CG1-CB 3.87Å; V257-C298 VanDerWaalsContact CG1-N 3.3Å; N258-C298 PolarHBondContact OD1-SG 3.39Å; V290-C298 PolarHBondContact O-N 2.92Å
299R71.2Confident67.6Low142 Ų14246.5 Ų46.554%0.53624%0.243SC..PPolyproline II helixtrans-67.1142.7171-69.4-175.8-179.9177.71.6108.7C119 N258 T301C119-R299 PolarHBondContact SG-NE 3.36Å; C119-R299 VanDerWaalsContact SG-NE 3.37Å; C119-R299 PolarHBondContact SG-NH2 3.27Å; N258-R299 PolarHBondContact OD1-N 2.92Å; R299-T301 PolarHBondContact O-N 3.07Å
300P58.8Low65.1Low56 Ų5648.4 Ų48.436%0.36426%0.258SS..  trans-61.2114174.9-17.128.4000110.2H305P300-H305 HydrophobicContact CB-CB 4.38Å
301T48.4Very low62.5Low74 Ų7448.2 Ų48.245%0.45426%0.256SS..  trans-88.8138.7154.644.80000108.4R299 T303R299-T301 PolarHBondContact O-N 3.07Å; T301-T303 PolarHBondContact O-N 2.72Å
302T41.8Very low60Low115 Ų11550.8 Ų50.871%0.70627%0.27SS*.THydrogen-bonded Turntrans-60.7-16.3-155.5-32.50000115.7
303T42.9Very low57.5Low124 Ų12452.3 Ų52.376%0.76128%0.279SS*.THydrogen-bonded Turntrans-106.2-50.4-170.623.80000114.9T301T301-T303 PolarHBondContact O-N 2.72Å
304S45.4Very low54.7Low22 Ų2252.8 Ų52.815%0.15428%0.283CS..Hα-helixtrans-72-32-177.658.60000112.7H261 R306 A307H261-S304 PolarHBondContact CE1-OG 2.93Å; H261-S304 VanDerWaalsContact CE1-OG 3.3Å; H261-S304 PolarHBondContact NE2-OG 3.36Å; S304-R306 VanDerWaalsContact C-N 3.34Å; S304-R306 PolarHBondContact O-N 3.49Å; S304-A307 PolarHBondContact O-N 3.08Å
305H43Very low51.8Low25 Ų2559.9 Ų59.912%0.11631%0.314CS..Hα-helixtrans-73.5-21.3-179.1-81.6-86.4000113.7P300 A307 A308 H309P300-H305 HydrophobicContact CB-CB 4.38Å; H305-A307 VanDerWaalsContact C-N 3.27Å; H305-A307 PolarHBondContact O-N 2.94Å; H305-A308 CarbonylContact O-C 3.53Å; H305-A308 PolarHBondContact O-N 3.44Å; H305-H309 WeakPolarHBondContact O-CA 3.42Å; H305-H309 WeakPolarHBondContact O-CB 3.26Å; H305-H309 PolarHBondContact O-N 2.69Å
306R40.5Very low49Very low189 Ų18964 Ų6471%0.71333%0.334SS*.Hα-helixtrans-63.6-33.5176-78.7-174.2-178.2-168.10.5112S304 H309 S310S304-R306 VanDerWaalsContact C-N 3.34Å; S304-R306 PolarHBondContact O-N 3.49Å; R306-H309 PolarHBondContact O-N 3.11Å; R306-S310 WeakPolarHBondContact O-CB 3.42Å; R306-S310 PolarHBondContact O-N 3.33Å; R306-S310 PolarHBondContact O-OG 3.24Å; R306-S310 VanDerWaalsContact O-OG 3.08Å
307A46Very low46.5Very low8 Ų869.4 Ų69.47%0.06636%0.359CS..Hα-helixtrans-75.2-34.4174.100000113F236 W243 S304 H305 H309 S310 T311F236-A307 HydrophobicContact CE2-CB 4.46Å; F236-A307 HydrophobicContact CZ-CB 4.43Å; W243-A307 HydrophobicContact CD2-CB 4.39Å; W243-A307 HydrophobicContact CG-CB 4.2Å; S304-A307 PolarHBondContact O-N 3.08Å; H305-A307 VanDerWaalsContact C-N 3.27Å; H305-A307 PolarHBondContact O-N 2.94Å; A307-H309 VanDerWaalsContact C-N 3.32Å; A307-S310 WeakPolarHBondContact CA-OG 3.49Å; A307-S310 PolarHBondContact O-OG 3.26Å; A307-T311 PolarHBondContact O-OG1 3.21Å
308A43.8Very low43.9Very low20 Ų2073.8 Ų73.817%0.16538%0.382CS..Hα-helixtrans-82.9-5.2173.300000113.9H305 T311H305-A308 CarbonylContact O-C 3.53Å; H305-A308 PolarHBondContact O-N 3.44Å; A308-T311 CarbonylContact C-O 3.57Å; A308-T311 VanDerWaalsContact C-OG1 3.31Å; A308-T311 WeakPolarHBondContact CA-OG1 3.46Å; A308-T311 PolarHBondContact O-OG1 3.48Å
309H41.3Very low41.2Very low68 Ų6875.3 Ų75.332%0.31540%0.399SS..Hα-helixtrans-111.8-25.1176.5-81.1-32.2000112.8R122 H305 R306 A307 T311R122-H309 PolarHBondContact NH2-NE2 3.06Å; R122-H309 VanDerWaalsContact NH2-NE2 3.13Å; H305-H309 WeakPolarHBondContact O-CA 3.42Å; H305-H309 WeakPolarHBondContact O-CB 3.26Å; H305-H309 PolarHBondContact O-N 2.69Å; R306-H309 PolarHBondContact O-N 3.11Å; A307-H309 VanDerWaalsContact C-N 3.32Å; H309-T311 PolarHBondContact O-N 3.2Å
310S38.2Very low39.1Very low60 Ų6076.2 Ų76.242%0.4241%0.409SS..Hα-helixtrans-59.4-27.5160.256.10000110.3S213 R306 A307S213-S310 PolarHBondContact OG-O 3.22Å; R306-S310 WeakPolarHBondContact O-CB 3.42Å; R306-S310 PolarHBondContact O-N 3.33Å; R306-S310 PolarHBondContact O-OG 3.24Å; R306-S310 VanDerWaalsContact O-OG 3.08Å; A307-S310 WeakPolarHBondContact CA-OG 3.49Å; A307-S310 PolarHBondContact O-OG 3.26Å
311T38.4Very low37.8Very low0 Ų088.6 Ų88.60%045%0.448CS..SBendtrans-92.7112.1167.455.90000108.7S209 V210 S213 F215 A307 A308 H309 V313S209-T311 WeakPolarHBondContact O-CB 3.39Å; V210-T311 HydrophobicContact CB-CG2 4.23Å; V210-T311 HydrophobicContact CG2-CG2 3.86Å; S213-T311 WeakPolarHBondContact OG-CA 3.47Å; F215-T311 HydrophobicContact CD2-CG2 4.14Å; F215-T311 HydrophobicContact CE2-CG2 3.97Å; A307-T311 PolarHBondContact O-OG1 3.21Å; A308-T311 CarbonylContact C-O 3.57Å; A308-T311 VanDerWaalsContact C-OG1 3.31Å; A308-T311 WeakPolarHBondContact CA-OG1 3.46Å; A308-T311 PolarHBondContact O-OG1 3.48Å; H309-T311 PolarHBondContact O-N 3.2Å; T311-V313 PolarHBondContact O-N 3.29Å
312N37.3Very low37.3Very low76 Ų7689.4 Ų89.441%0.40645%0.448SS..  trans-67.736.9-168.2-104.5-41.2000115.8A314 K315 N316N312-A314 PolarHBondContact O-N 3.05Å; N312-A314 VanDerWaalsContact O-N 3.12Å; N312-K315 PolarHBondContact O-N 3.05Å; N312-K315 VanDerWaalsContact O-N 3.14Å; N312-K315 WeakPolarHBondContact OD1-CD 3.42Å; N312-N316 PolarHBondContact O-N 2.88Å
313V40.7Very low37Very low36 Ų3688 Ų8822%0.21843%0.434CS..THydrogen-bonded Turntrans-57.3-32.1-176.9-173.80000112.1L206 S209 T311L206-V313 HydrophobicContact CD1-CG2 3.88Å; S209-V313 VanDerWaalsContact OG-CG2 3.29Å; S209-V313 WeakPolarHBondContact OG-CG2 3.45Å; T311-V313 PolarHBondContact O-N 3.29Å
314A33.4Very low36.7Very low27 Ų2786 Ų8622%0.22342%0.416CS..THydrogen-bonded Turntrans-87.1-17.7-177.600000114.5W121 N312W121-A314 HydrophobicContact CH2-CB 4.46Å; N312-A314 PolarHBondContact O-N 3.05Å; N312-A314 VanDerWaalsContact O-N 3.12Å
315K30.1Very low36.2Very low150 Ų15089.8 Ų89.865%0.65243%0.431SS*.THydrogen-bonded Turntrans-93-30.9179.2-72.5-167.6-175.6174.60112.7N312 Q317 Q318N312-K315 PolarHBondContact O-N 3.05Å; N312-K315 VanDerWaalsContact O-N 3.14Å; N312-K315 WeakPolarHBondContact OD1-CD 3.42Å; K315-Q317 PolarHBondContact O-N 3.08Å; K315-Q318 PolarHBondContact O-N 3.38Å; K315-Q318 VanDerWaalsContact O-N 3.12Å
316N30.5Very low35.8Very low97 Ų9793.8 Ų93.852%0.51945%0.451SS..THydrogen-bonded Turntrans-76.813.2-177.9-78.27.6000115.3N312N312-N316 PolarHBondContact O-N 2.88Å
317Q35Very low35.5Very low112 Ų11287.5 Ų87.552%0.52343%0.434SS..THydrogen-bonded Turntrans-92.8-3163.1-73.2-167.83.200113.5K315K315-Q317 PolarHBondContact O-N 3.08Å
318Q32.8Very low34.7Very low143 Ų14393.1 Ų93.167%0.66846%0.46SS*.SBendtrans-121.315.9178.5-75.5-171.5-25.500113.8K315K315-Q318 PolarHBondContact O-N 3.38Å; K315-Q318 VanDerWaalsContact O-N 3.12Å
319G26.1Very low34Very low38 Ų3898.8 Ų98.839%0.39248%0.483SS..  trans-158.782.4-179.100000111.2
320H27.5Very low33.4Very low161 Ų161101.3 Ų101.375%0.74550%0.497SS*.  trans-160.299.5145.9-90.6-51.1000109.5
321R30.9Very low33Very low316 Ų316105.1 Ų105.1100%1.19250%0.504SS*.  trans62.70157.7-62.8-173.8-178.9-164.60.7118

Retrieved 321 of 321 residues in 88.9 ms (Link to these results)

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