A0A060X7Y6_ONCMY Loading...

TRAF-interacting protein

AlphaFold DB , UniProt , Accession A0A060X7Y6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 455 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
1M45.7Very low77Confident206 Ų20688.5 Ų88.5100%1.01546%0.455SS*.  0141.40-72.4-169.5166.500108.4I3M1-I3 PolarHBondContact O-N 3.43Å
2P54.5Low78.1Confident87 Ų8787.3 Ų87.357%0.56545%0.45SS*.  trans-57.6141.6169.126.1-31.4000107.9R4P2-R4 PolarHBondContact O-N 3.41Å
3I59.2Low78.7Confident54 Ų5490 Ų9028%0.27746%0.457SS..  trans-49.7118.3168.7-59.1173.4000104.8M1 A5 F64 I66M1-I3 PolarHBondContact O-N 3.43Å; I3-A5 HydrophobicContact CG2-CB 3.82Å; I3-A5 PolarHBondContact O-N 2.99Å; I3-F64 HydrophobicContact CD1-CB 3.94Å; I3-F64 HydrophobicContact CD1-CD1 3.86Å; I3-F64 HydrophobicContact CD1-CD2 3.42Å; I3-F64 VanDerWaalsContact CD1-CD2 3.42Å; I3-F64 HydrophobicContact CD1-CE1 4.21Å; I3-F64 HydrophobicContact CD1-CE2 3.8Å; I3-F64 HydrophobicContact CD1-CG 3.45Å; I3-F64 VanDerWaalsContact CD1-CG 3.45Å; I3-F64 HydrophobicContact CD1-CZ 4.18Å; I3-I66 HydrophobicContact CD1-CD1 4.26Å; I3-I66 HydrophobicContact CG1-CD1 4.11Å
4R68.2Low79.2Confident226 Ų22684.2 Ų84.285%0.85343%0.427SS*.SBendtrans-72.743.9-179.8-79.6-178.3144.1179.1-4.4111P2P2-R4 PolarHBondContact O-N 3.41Å
5A79.6Confident79.1Confident33 Ų3382.9 Ų82.927%0.27342%0.421SS..  trans-123.1141.2172.800000107.4I3 F14I3-A5 HydrophobicContact CG2-CB 3.82Å; I3-A5 PolarHBondContact O-N 2.99Å; A5-F14 VanDerWaalsContact C-CD2 3.47Å; A5-F14 HydrophobicContact CB-CD2 3.69Å; A5-F14 HydrophobicContact CB-CE2 3.82Å; A5-F14 WeakPolarHBondContact O-CD2 3.43Å; A5-F14 PolarHBondContact O-N 3.28Å; A5-F14 VanDerWaalsContact O-N 3.17Å
6Y88Confident78.7Confident127 Ų12789.1 Ų89.150%0.49845%0.448SS..BIsolated β-bridgetrans-125.8151.1-178.860.1-87.5000108.7T8 D12Y6-T8 HydrophobicContact CD2-CG2 4.31Å; Y6-T8 HydrophobicContact CE2-CG2 3.8Å; Y6-T8 PolarHBondContact O-N 2.95Å; Y6-D12 CarbonylContact C-O 3.53Å; Y6-D12 WeakPolarHBondContact CA-O 3.47Å; Y6-D12 VanDerWaalsContact CB-O 3.25Å; Y6-D12 WeakPolarHBondContact CB-O 3.47Å
7C91.8Very high78.6Confident0 Ų089.5 Ų89.50%046%0.461CS..  trans-72.9116.2174.1178.10000108.8I9 C10 S11 D12 F14 H30C7-I9 PolarHBondContact O-N 2.65Å; C7-I9 VanDerWaalsContact O-N 3.08Å; C7-C10 VanDerWaalsContact CB-SG 3.57Å; C7-C10 PolarHBondContact O-N 3.48Å; C7-S11 WeakPolarHBondContact O-CA 3.24Å; C7-S11 PolarHBondContact O-N 3.03Å; C7-D12 PolarHBondContact N-O 2.94Å; C7-F14 HydrophobicContact CB-CD1 4.48Å; C7-F14 HydrophobicContact CB-CE1 3.65Å; C7-F14 HydrophobicContact CB-CZ 3.99Å; C7-H30 WeakPolarHBondContact CB-ND1 3.29Å; C7-H30 PolarHBondContact SG-N 3.11Å; C7-H30 VanDerWaalsContact SG-N 3.37Å
8T89.6Confident78.9Confident56 Ų5688.5 Ų88.534%0.34445%0.45SS..THydrogen-bonded Turntrans-68.4-8.9-178.652.10000114.4Y6 F29 Q48Y6-T8 HydrophobicContact CD2-CG2 4.31Å; Y6-T8 HydrophobicContact CE2-CG2 3.8Å; Y6-T8 PolarHBondContact O-N 2.95Å; T8-F29 WeakPolarHBondContact OG1-CE1 3.3Å; T8-Q48 PolarHBondContact OG1-OE1 3.3Å
9I90.4Very high79.4Confident54 Ų5487.4 Ų87.428%0.27745%0.446SS..THydrogen-bonded Turntrans-79.1-46174.6-59.8165.9000111.3C7 F29 C33 W37 P47C7-I9 PolarHBondContact O-N 2.65Å; C7-I9 VanDerWaalsContact O-N 3.08Å; I9-F29 HydrophobicContact CD1-CB 4Å; I9-F29 HydrophobicContact CD1-CD1 3.5Å; I9-F29 VanDerWaalsContact CD1-CD1 3.5Å; I9-F29 HydrophobicContact CD1-CE1 4.16Å; I9-F29 HydrophobicContact CD1-CG 3.86Å; I9-F29 HydrophobicContact CG1-CD1 3.57Å; I9-F29 HydrophobicContact CG1-CE1 3.95Å; I9-F29 HydrophobicContact CG1-CG 4.43Å; I9-C33 HydrophobicContact CB-CB 4Å; I9-C33 HydrophobicContact CD1-CB 3.89Å; I9-C33 HydrophobicContact CG2-CB 3.93Å; I9-W37 HydrophobicContact CD1-CB 4.24Å; I9-P47 HydrophobicContact CD1-CG 3.76Å; I9-P47 HydrophobicContact CG1-CB 4.07Å; I9-P47 HydrophobicContact CG1-CG 3.86Å
10C91.4Very high80Confident45 Ų4583.4 Ų83.430%0.30443%0.425SS..THydrogen-bonded Turntrans-106.2-8.3-178.456.30000113.7C7 D12 H30 C33C7-C10 VanDerWaalsContact CB-SG 3.57Å; C7-C10 PolarHBondContact O-N 3.48Å; C10-D12 PolarHBondContact O-N 3.36Å; C10-H30 PolarHBondContact SG-ND1 3.24Å; C10-C33 VanDerWaalsContact SG-SG 3.62Å
11S89.3Confident80.5Confident86 Ų8679.4 Ų79.460%0.60141%0.405SS*.  trans62.511.8-174.1-51.20000115.5C7C7-S11 WeakPolarHBondContact O-CA 3.24Å; C7-S11 PolarHBondContact O-N 3.03Å
12D89.4Confident82.7Confident73 Ų7370.2 Ų70.239%0.3936%0.362SS..PPolyproline II helixtrans-86.4150175.7-74.9-11.8000112.5Y6 C7 C10 R18Y6-D12 CarbonylContact C-O 3.53Å; Y6-D12 WeakPolarHBondContact CA-O 3.47Å; Y6-D12 VanDerWaalsContact CB-O 3.25Å; Y6-D12 WeakPolarHBondContact CB-O 3.47Å; C7-D12 PolarHBondContact N-O 2.94Å; C10-D12 PolarHBondContact O-N 3.36Å; D12-R18 IonicContact OD2-CZ 3.52Å; D12-R18 IonicContact OD2-NH1 3.71Å; D12-R18 PolarHBondContact OD2-NH1 3.47Å; D12-R18 IonicContact OD2-NH2 3.75Å; D12-R18 PolarHBondContact OD2-NH2 3.23Å
13F85.9Confident84.5Confident123 Ų12366.3 Ų66.354%0.53934%0.336SS..BIsolated β-bridgetrans-64.1147.7171.3-66.6-77.9000112.2D15F13-D15 PolarHBondContact O-N 3.47Å
14F85.6Confident85.8Confident9 Ų968.4 Ų68.44%0.03935%0.345CS..PPolyproline II helixtrans-71.7122.5167.3-61.7-55.2000110A5 C7 V20 H30A5-F14 VanDerWaalsContact C-CD2 3.47Å; A5-F14 HydrophobicContact CB-CD2 3.69Å; A5-F14 HydrophobicContact CB-CE2 3.82Å; A5-F14 WeakPolarHBondContact O-CD2 3.43Å; A5-F14 PolarHBondContact O-N 3.28Å; A5-F14 VanDerWaalsContact O-N 3.17Å; C7-F14 HydrophobicContact CB-CD1 4.48Å; C7-F14 HydrophobicContact CB-CE1 3.65Å; C7-F14 HydrophobicContact CB-CZ 3.99Å; F14-V20 HydrophobicContact CB-CG2 3.93Å; F14-V20 HydrophobicContact CD1-CB 4.31Å; F14-V20 HydrophobicContact CD1-CG1 3.95Å; F14-V20 HydrophobicContact CD1-CG2 3.46Å; F14-V20 VanDerWaalsContact CD1-CG2 3.46Å; F14-V20 HydrophobicContact CE1-CG1 3.83Å; F14-V20 HydrophobicContact CE1-CG2 4.14Å; F14-V20 HydrophobicContact CG-CG1 4.33Å; F14-V20 HydrophobicContact CG-CG2 3.81Å; F14-V20 HydrophobicContact CZ-CG1 4.14Å; F14-H30 AromaticContact CD1-CD2 3.71Å; F14-H30 AromaticContact CD1-NE2 3.49Å; F14-H30 WeakPolarHBondContact CD1-NE2 3.42Å
15D78.1Confident86.9Confident64 Ų6459.1 Ų59.134%0.34231%0.314SS..  trans-121.5177.8178.863.340.4000111.3F13 S17 R18F13-D15 PolarHBondContact O-N 3.47Å; D15-S17 PolarHBondContact O-N 3.3Å; D15-S17 WeakPolarHBondContact OD1-CA 3.2Å; D15-S17 WeakPolarHBondContact OD1-CB 3.38Å; D15-S17 PolarHBondContact OD1-N 3.41Å; D15-S17 PolarHBondContact OD1-OG 3.36Å; D15-S17 PolarHBondContact OD2-OG 3.29Å; D15-R18 PolarHBondContact OD1-N 3.38Å; D15-R18 IonicContact OD2-NE 2.61Å; D15-R18 IonicContact OD2-NH2 3.37Å
16H72.1Confident87.3Confident182 Ų18260.4 Ų60.484%0.84333%0.33SS*.SBendtrans-79.3-5.4179.3-6285.9000113.4
17S77.6Confident87.5Confident96 Ų9656.6 Ų56.667%0.67132%0.317SS*.SBendtrans-90.5-25.8-175.4750000112.8D15D15-S17 PolarHBondContact O-N 3.3Å; D15-S17 WeakPolarHBondContact OD1-CA 3.2Å; D15-S17 WeakPolarHBondContact OD1-CB 3.38Å; D15-S17 PolarHBondContact OD1-N 3.41Å; D15-S17 PolarHBondContact OD1-OG 3.36Å; D15-S17 PolarHBondContact OD2-OG 3.29Å
18R83.3Confident87.5Confident72 Ų7258.6 Ų58.627%0.27233%0.329SS..SBendtrans-119138.9-177.2-69-178.6-73.5-177.7-3.7112.2D12 D15D12-R18 IonicContact OD2-CZ 3.52Å; D12-R18 IonicContact OD2-NH1 3.71Å; D12-R18 PolarHBondContact OD2-NH1 3.47Å; D12-R18 IonicContact OD2-NH2 3.75Å; D12-R18 PolarHBondContact OD2-NH2 3.23Å; D15-R18 PolarHBondContact OD1-N 3.38Å; D15-R18 IonicContact OD2-NE 2.61Å; D15-R18 IonicContact OD2-NH2 3.37Å
19D89.3Confident87.7Confident68 Ų6856 Ų5636%0.36431%0.313SS..  trans-70.3133.8179.2-71.4-19.2000111.6H30 Y31 K61D19-H30 CarbonylContact O-C 3.56Å; D19-H30 WeakPolarHBondContact O-CA 3.47Å; D19-Y31 PolarHBondContact O-N 3.17Å; D19-K61 HydrophobicContact CB-CD 4.43Å; D19-K61 HydrophobicContact CB-CG 4.32Å; D19-K61 WeakPolarHBondContact OD1-CD 3.36Å; D19-K61 WeakPolarHBondContact OD1-CE 3.42Å; D19-K61 IonicContact OD1-NZ 2.98Å; D19-K61 PolarHBondContact OD1-NZ 3.46Å; D19-K61 IonicContact OD2-NZ 2.65Å
20V91.2Very high87.7Confident7 Ų753.5 Ų53.54%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-99.9123.1176.3-174.90000109.8F14 F29 K61 L62 F64F14-V20 HydrophobicContact CB-CG2 3.93Å; F14-V20 HydrophobicContact CD1-CB 4.31Å; F14-V20 HydrophobicContact CD1-CG1 3.95Å; F14-V20 HydrophobicContact CD1-CG2 3.46Å; F14-V20 VanDerWaalsContact CD1-CG2 3.46Å; F14-V20 HydrophobicContact CE1-CG1 3.83Å; F14-V20 HydrophobicContact CE1-CG2 4.14Å; F14-V20 HydrophobicContact CG-CG1 4.33Å; F14-V20 HydrophobicContact CG-CG2 3.81Å; F14-V20 HydrophobicContact CZ-CG1 4.14Å; V20-F29 CarbonylContact C-O 3.47Å; V20-K61 CarbonylContact O-C 3.55Å; V20-K61 VanDerWaalsContact O-CA 3.31Å; V20-K61 WeakPolarHBondContact O-CA 3.43Å; V20-L62 HydrophobicContact CG1-CD1 4.34Å; V20-L62 PolarHBondContact O-N 3.24Å; V20-F64 HydrophobicContact CB-CE2 4.02Å; V20-F64 HydrophobicContact CB-CZ 4.5Å; V20-F64 HydrophobicContact CG1-CE2 4.2Å; V20-F64 HydrophobicContact CG1-CZ 4.21Å; V20-F64 HydrophobicContact CG2-CE2 4.09Å
21A91.2Very high87.7Confident0 Ų055.1 Ų55.10%030%0.301CS..EExtended strand (participates in β ladder)trans-104.6147177.600000111.7T28 F29 Y31 L34 I59A21-T28 CarbonylContact O-C 3.51Å; A21-T28 VanDerWaalsContact O-CA 3.23Å; A21-T28 WeakPolarHBondContact O-CA 3.45Å; A21-F29 PolarHBondContact N-O 3.31Å; A21-F29 PolarHBondContact O-N 3.4Å; A21-Y31 HydrophobicContact CB-CD2 4.01Å; A21-L34 HydrophobicContact CB-CD2 3.94Å; A21-I59 CarbonylContact C-O 3.44Å; A21-I59 WeakPolarHBondContact CA-O 3.48Å; A21-I59 WeakPolarHBondContact CB-O 3.21Å
22A91.9Very high87.9Confident13 Ų1357.8 Ų57.811%0.10730%0.304CS..EExtended strand (participates in β ladder)trans-118.2139.8173.400000111.8T28 I59 L62A22-T28 HydrophobicContact CB-CG2 4.01Å; A22-I59 HydrophobicContact CB-CB 4.45Å; A22-I59 PolarHBondContact N-O 3.12Å; A22-I59 PolarHBondContact O-N 3.34Å; A22-L62 HydrophobicContact CB-CD1 3.91Å; A22-L62 HydrophobicContact CB-CD2 4.16Å; A22-L62 HydrophobicContact CB-CG 4.21Å
23I91Very high88Confident5 Ų555.2 Ų55.23%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-95.1149.3174.2-56.5177.3000108.8C25 G26 H27 F29 L34 F38 C46 V53I23-C25 PolarHBondContact O-N 3.34Å; I23-G26 PolarHBondContact O-N 3.21Å; I23-H27 PolarHBondContact N-O 3Å; I23-F29 HydrophobicContact CD1-CD2 3.92Å; I23-F29 HydrophobicContact CD1-CE2 3.53Å; I23-F29 HydrophobicContact CG1-CD2 4.33Å; I23-F29 HydrophobicContact CG1-CE2 4.24Å; I23-L34 HydrophobicContact CD1-CD1 3.65Å; I23-L34 HydrophobicContact CD1-CD2 4.22Å; I23-L34 HydrophobicContact CG1-CD1 4.25Å; I23-L34 HydrophobicContact CG1-CD2 3.87Å; I23-F38 HydrophobicContact CD1-CZ 4.24Å; I23-C46 HydrophobicContact CD1-CB 4.04Å; I23-V53 HydrophobicContact CD1-CG2 4.24Å; I23-V53 HydrophobicContact CG2-CB 4.16Å; I23-V53 HydrophobicContact CG2-CG1 3.64Å; I23-V53 HydrophobicContact CG2-CG2 3.41Å; I23-V53 VanDerWaalsContact CG2-CG2 3.41Å
24H87.9Confident88.2Confident98 Ų9849.5 Ų49.545%0.45427%0.266SS..THydrogen-bonded Turntrans-50.6-14.4174.272.8-71.5000116.5G26 Q52 H57H24-G26 VanDerWaalsContact C-N 3.33Å; H24-Q52 PolarHBondContact CE1-O 3.05Å; H24-Q52 PolarHBondContact NE2-O 3.33Å; H24-H57 HydrophobicContact CB-CB 3.85Å; H24-H57 PolarHBondContact N-O 2.97Å
25C91.3Very high88.4Confident30 Ų3052.6 Ų52.620%0.20328%0.283CS..THydrogen-bonded Turntrans-84.9-2.1172.267.10000114.4I23 H27 C49 K51I23-C25 PolarHBondContact O-N 3.34Å; C25-H27 PolarHBondContact SG-ND1 3.24Å; C25-C49 VanDerWaalsContact SG-SG 3.63Å; C25-K51 HydrophobicContact CB-CB 4.34Å; C25-K51 HydrophobicContact CB-CD 3.95Å
26G87Confident89Confident60 Ų6055.5 Ų55.562%0.61929%0.294SS*.SBendtrans96.1-12.1177.100000115.8I23 H24I23-G26 PolarHBondContact O-N 3.21Å; H24-G26 VanDerWaalsContact C-N 3.33Å
27H92.2Very high89.8Confident48 Ų4851.7 Ų51.722%0.22227%0.273CS..  trans-80.2141.5-179.4-62.9106000112.6I23 C25 F29 Q48 C49I23-H27 PolarHBondContact N-O 3Å; C25-H27 PolarHBondContact SG-ND1 3.24Å; H27-F29 HydrophobicContact CB-CE2 3.62Å; H27-F29 HydrophobicContact CB-CZ 3.83Å; H27-Q48 PolarHBondContact CD2-NE2 3.28Å; H27-Q48 PolarHBondContact NE2-NE2 3.03Å; H27-C49 VanDerWaalsContact CE1-SG 3.58Å; H27-C49 PolarHBondContact ND1-SG 3.28Å
28T92.6Very high90.3Very high42 Ų4248.1 Ų48.126%0.25825%0.245SC..EExtended strand (participates in β ladder)trans-113.2145.2-177.154.50000112.6A21 A22 L62A21-T28 CarbonylContact O-C 3.51Å; A21-T28 VanDerWaalsContact O-CA 3.23Å; A21-T28 WeakPolarHBondContact O-CA 3.45Å; A22-T28 HydrophobicContact CB-CG2 4.01Å; T28-L62 HydrophobicContact CG2-CD1 3.79Å
29F92.1Very high90.4Very high0 Ų051.8 Ų51.80%027%0.265CS..EExtended strand (participates in β ladder)trans-149.9163.3-177.5-53.9-85.9000109.9T8 I9 V20 A21 I23 H27 Y31 L34 P47 Q48T8-F29 WeakPolarHBondContact OG1-CE1 3.3Å; I9-F29 HydrophobicContact CD1-CB 4Å; I9-F29 HydrophobicContact CD1-CD1 3.5Å; I9-F29 VanDerWaalsContact CD1-CD1 3.5Å; I9-F29 HydrophobicContact CD1-CE1 4.16Å; I9-F29 HydrophobicContact CD1-CG 3.86Å; I9-F29 HydrophobicContact CG1-CD1 3.57Å; I9-F29 HydrophobicContact CG1-CE1 3.95Å; I9-F29 HydrophobicContact CG1-CG 4.43Å; V20-F29 CarbonylContact C-O 3.47Å; A21-F29 PolarHBondContact N-O 3.31Å; A21-F29 PolarHBondContact O-N 3.4Å; I23-F29 HydrophobicContact CD1-CD2 3.92Å; I23-F29 HydrophobicContact CD1-CE2 3.53Å; I23-F29 HydrophobicContact CG1-CD2 4.33Å; I23-F29 HydrophobicContact CG1-CE2 4.24Å; H27-F29 HydrophobicContact CB-CE2 3.62Å; H27-F29 HydrophobicContact CB-CZ 3.83Å; F29-Y31 PolarHBondContact O-N 3.18Å; F29-L34 HydrophobicContact CB-CB 4.1Å; F29-L34 HydrophobicContact CD2-CD1 4.04Å; F29-L34 HydrophobicContact CG-CD1 4.46Å; F29-P47 HydrophobicContact CD1-CG 4.29Å; F29-P47 HydrophobicContact CE1-CB 3.87Å; F29-P47 HydrophobicContact CE1-CG 3.7Å; F29-P47 HydrophobicContact CE2-CG 4.28Å; F29-P47 HydrophobicContact CZ-CB 4.03Å; F29-P47 HydrophobicContact CZ-CG 3.72Å; F29-Q48 HydrophobicContact CZ-CB 4.16Å
30H92.3Very high90.1Very high2 Ų254 Ų541%0.00928%0.281CS..EExtended strand (participates in β ladder)trans-62.3138165.1-65.9124.6000109C7 C10 F14 D19 E32 C33 L34C7-H30 WeakPolarHBondContact CB-ND1 3.29Å; C7-H30 PolarHBondContact SG-N 3.11Å; C7-H30 VanDerWaalsContact SG-N 3.37Å; C10-H30 PolarHBondContact SG-ND1 3.24Å; F14-H30 AromaticContact CD1-CD2 3.71Å; F14-H30 AromaticContact CD1-NE2 3.49Å; F14-H30 WeakPolarHBondContact CD1-NE2 3.42Å; D19-H30 CarbonylContact O-C 3.56Å; D19-H30 WeakPolarHBondContact O-CA 3.47Å; H30-E32 VanDerWaalsContact C-N 3.25Å; H30-E32 PolarHBondContact O-N 2.94Å; H30-C33 HydrophobicContact CB-CB 4.05Å; H30-C33 PolarHBondContact O-N 3.49Å; H30-C33 VanDerWaalsContact O-N 3.16Å; H30-L34 WeakPolarHBondContact O-CB 3.46Å; H30-L34 PolarHBondContact O-N 2.69Å
31Y91.4Very high89.6Confident79 Ų7954.7 Ų54.731%0.3129%0.288SS..Hα-helixtrans-55.5-43.9-178.5178.2-111.5000111.4D19 A21 F29 L34 L35 N60D19-Y31 PolarHBondContact O-N 3.17Å; A21-Y31 HydrophobicContact CB-CD2 4.01Å; F29-Y31 PolarHBondContact O-N 3.18Å; Y31-L34 PolarHBondContact O-N 2.88Å; Y31-L35 WeakPolarHBondContact O-CB 3.43Å; Y31-L35 PolarHBondContact O-N 3.18Å; Y31-N60 HydrophobicContact CD2-CB 3.86Å; Y31-N60 HydrophobicContact CE2-CB 3.63Å; Y31-N60 VanDerWaalsContact CE2-CG 3.47Å; Y31-N60 WeakPolarHBondContact CE2-OD1 3.4Å
32E91.7Very high88.6Confident142 Ų14260.9 Ų60.966%0.66433%0.328SS*.Hα-helixtrans-63.1-46.7177.4-63.2-177.1169.500112.3H30 L34 L35 Q36H30-E32 VanDerWaalsContact C-N 3.25Å; H30-E32 PolarHBondContact O-N 2.94Å; E32-L34 VanDerWaalsContact C-N 3.3Å; E32-L34 PolarHBondContact O-N 3.44Å; E32-L35 PolarHBondContact O-N 3.46Å; E32-Q36 WeakPolarHBondContact O-CB 3.32Å; E32-Q36 PolarHBondContact O-N 3.25Å
33C92.1Very high88.1Confident19 Ų1965.6 Ų65.613%0.12835%0.352CS..Hα-helixtrans-61.7-40.8177.9-63.20000111.6I9 C10 H30 W37I9-C33 HydrophobicContact CB-CB 4Å; I9-C33 HydrophobicContact CD1-CB 3.89Å; I9-C33 HydrophobicContact CG2-CB 3.93Å; C10-C33 VanDerWaalsContact SG-SG 3.62Å; H30-C33 HydrophobicContact CB-CB 4.05Å; H30-C33 PolarHBondContact O-N 3.49Å; H30-C33 VanDerWaalsContact O-N 3.16Å; C33-W37 WeakPolarHBondContact O-CB 3.42Å; C33-W37 PolarHBondContact O-N 3.43Å
34L90.3Very high87.8Confident3 Ų369.9 Ų69.92%0.01637%0.37CS..Hα-helixtrans-67.7-40.8177.8-176.660.5000111.9A21 I23 F29 H30 Y31 E32 W37 F38 P47 I58A21-L34 HydrophobicContact CB-CD2 3.94Å; I23-L34 HydrophobicContact CD1-CD1 3.65Å; I23-L34 HydrophobicContact CD1-CD2 4.22Å; I23-L34 HydrophobicContact CG1-CD1 4.25Å; I23-L34 HydrophobicContact CG1-CD2 3.87Å; F29-L34 HydrophobicContact CB-CB 4.1Å; F29-L34 HydrophobicContact CD2-CD1 4.04Å; F29-L34 HydrophobicContact CG-CD1 4.46Å; H30-L34 WeakPolarHBondContact O-CB 3.46Å; H30-L34 PolarHBondContact O-N 2.69Å; Y31-L34 PolarHBondContact O-N 2.88Å; E32-L34 VanDerWaalsContact C-N 3.3Å; E32-L34 PolarHBondContact O-N 3.44Å; L34-W37 PolarHBondContact O-N 3.38Å; L34-F38 HydrophobicContact CD1-CD2 4.33Å; L34-F38 HydrophobicContact CD1-CE1 4.2Å; L34-F38 HydrophobicContact CD1-CE2 3.67Å; L34-F38 HydrophobicContact CD1-CZ 3.6Å; L34-F38 HydrophobicContact CD2-CE2 4.16Å; L34-F38 HydrophobicContact CG-CD2 4.21Å; L34-F38 HydrophobicContact CG-CE2 3.7Å; L34-F38 HydrophobicContact CG-CZ 4.16Å; L34-F38 PolarHBondContact O-N 3.21Å; L34-F38 VanDerWaalsContact O-N 3.09Å; L34-P47 HydrophobicContact CD1-CG 4.5Å; L34-I58 HydrophobicContact CD2-CG2 4.15Å
35L88.9Confident87.9Confident75 Ų7566.9 Ų66.939%0.39336%0.359SS..Hα-helixtrans-62.8-46.8177.3-174.566.2000110.9Y31 E32 W37 F38 Q39Y31-L35 WeakPolarHBondContact O-CB 3.43Å; Y31-L35 PolarHBondContact O-N 3.18Å; E32-L35 PolarHBondContact O-N 3.46Å; L35-W37 VanDerWaalsContact C-N 3.33Å; L35-W37 PolarHBondContact O-N 2.8Å; L35-F38 PolarHBondContact O-N 2.99Å; L35-Q39 WeakPolarHBondContact O-CG 3.3Å; L35-Q39 PolarHBondContact O-N 3.2Å; L35-Q39 VanDerWaalsContact O-N 3.13Å
36Q90.7Very high87.9Confident125 Ų12565.4 Ų65.458%0.58435%0.349SS*.Hα-helixtrans-60.7-43.7176.4-172.2177.7-8.300111.2E32 F38 Q39 T40E32-Q36 WeakPolarHBondContact O-CB 3.32Å; E32-Q36 PolarHBondContact O-N 3.25Å; Q36-F38 VanDerWaalsContact C-N 3.33Å; Q36-F38 PolarHBondContact O-N 2.79Å; Q36-Q39 WeakPolarHBondContact O-CB 3.32Å; Q36-Q39 PolarHBondContact O-N 2.96Å; Q36-Q39 VanDerWaalsContact O-N 3.07Å; Q36-T40 PolarHBondContact O-N 3.02Å; Q36-T40 PolarHBondContact O-OG1 2.84Å; Q36-T40 VanDerWaalsContact O-OG1 3.13Å
37W90.5Very high88Confident101 Ų10164 Ų6438%0.38333%0.329SS..Hα-helixtrans-57.4-43.5176.6-178.4-96.1000112.8I9 C33 L34 L35 Q39 T40 A41 T45 P47I9-W37 HydrophobicContact CD1-CB 4.24Å; C33-W37 WeakPolarHBondContact O-CB 3.42Å; C33-W37 PolarHBondContact O-N 3.43Å; L34-W37 PolarHBondContact O-N 3.38Å; L35-W37 VanDerWaalsContact C-N 3.33Å; L35-W37 PolarHBondContact O-N 2.8Å; W37-Q39 VanDerWaalsContact C-N 3.29Å; W37-Q39 PolarHBondContact O-N 3.16Å; W37-T40 PolarHBondContact O-N 3.4Å; W37-A41 VanDerWaalsContact O-CB 3.3Å; W37-A41 WeakPolarHBondContact O-CB 3.39Å; W37-A41 PolarHBondContact O-N 2.97Å; W37-T45 PolarHBondContact NE1-O 3.31Å; W37-P47 HydrophobicContact CD2-CB 4.28Å; W37-P47 HydrophobicContact CD2-CG 4.03Å; W37-P47 HydrophobicContact CG-CG 3.87Å; W37-P47 HydrophobicContact CZ2-CB 4.19Å
38F88.3Confident87.8Confident22 Ų2266.7 Ų66.710%0.09634%0.342CS..Hα-helixtrans-72.1-19.3177.1-69.6-30000114.8I23 L34 L35 Q36 K44 T45 V53 I58I23-F38 HydrophobicContact CD1-CZ 4.24Å; L34-F38 HydrophobicContact CD1-CD2 4.33Å; L34-F38 HydrophobicContact CD1-CE1 4.2Å; L34-F38 HydrophobicContact CD1-CE2 3.67Å; L34-F38 HydrophobicContact CD1-CZ 3.6Å; L34-F38 HydrophobicContact CD2-CE2 4.16Å; L34-F38 HydrophobicContact CG-CD2 4.21Å; L34-F38 HydrophobicContact CG-CE2 3.7Å; L34-F38 HydrophobicContact CG-CZ 4.16Å; L34-F38 PolarHBondContact O-N 3.21Å; L34-F38 VanDerWaalsContact O-N 3.09Å; L35-F38 PolarHBondContact O-N 2.99Å; Q36-F38 VanDerWaalsContact C-N 3.33Å; Q36-F38 PolarHBondContact O-N 2.79Å; F38-K44 HydrophobicContact CB-CG 4.24Å; F38-K44 HydrophobicContact CD1-CB 3.93Å; F38-K44 HydrophobicContact CD1-CG 4.06Å; F38-K44 HydrophobicContact CE1-CB 4.14Å; F38-K44 HydrophobicContact CG-CB 4.46Å; F38-K44 HydrophobicContact CG-CG 4.18Å; F38-T45 WeakPolarHBondContact CE1-O 3.46Å; F38-V53 HydrophobicContact CE1-CB 4.17Å; F38-V53 HydrophobicContact CE1-CG2 4.27Å; F38-V53 HydrophobicContact CE2-CG1 4.25Å; F38-V53 HydrophobicContact CZ-CB 3.79Å; F38-V53 HydrophobicContact CZ-CG1 3.72Å; F38-V53 HydrophobicContact CZ-CG2 4Å; F38-I58 HydrophobicContact CD2-CD1 4.24Å; F38-I58 HydrophobicContact CE2-CD1 3.52Å; F38-I58 HydrophobicContact CZ-CD1 4.38Å
39Q85.6Confident87.8Confident149 Ų14967 Ų6770%0.69634%0.344SS*.Hα-helixtrans-79-35.1172.4-70.3172.63.400111.5L35 Q36 W37L35-Q39 WeakPolarHBondContact O-CG 3.3Å; L35-Q39 PolarHBondContact O-N 3.2Å; L35-Q39 VanDerWaalsContact O-N 3.13Å; Q36-Q39 WeakPolarHBondContact O-CB 3.32Å; Q36-Q39 PolarHBondContact O-N 2.96Å; Q36-Q39 VanDerWaalsContact O-N 3.07Å; W37-Q39 VanDerWaalsContact C-N 3.29Å; W37-Q39 PolarHBondContact O-N 3.16Å
40T82.9Confident87.6Confident113 Ų11377.1 Ų77.169%0.69338%0.383SS*.Hα-helixtrans-87.5-30.8-177-46.10000113.2Q36 W37Q36-T40 PolarHBondContact O-N 3.02Å; Q36-T40 PolarHBondContact O-OG1 2.84Å; Q36-T40 VanDerWaalsContact O-OG1 3.13Å; W37-T40 PolarHBondContact O-N 3.4Å
41A78.7Confident87.4Confident23 Ų2383.2 Ų83.219%0.1941%0.409CS..SBendtrans-84.8133.2-177.900000112.2W37 N43W37-A41 VanDerWaalsContact O-CB 3.3Å; W37-A41 WeakPolarHBondContact O-CB 3.39Å; W37-A41 PolarHBondContact O-N 2.97Å; A41-N43 VanDerWaalsContact C-N 3.26Å; A41-N43 PolarHBondContact O-N 3.34Å
42P72.1Confident87.2Confident130 Ų13086.8 Ų86.884%0.84443%0.429SS*.SBendtrans-65.6-27.8-177.623.2-31.9000113.3
43N79.5Confident87Confident112 Ų11280.2 Ų80.260%0.59940%0.399SS*.SBendtrans-121.6123174.2-68.5-39.5000109.4A41 T45A41-N43 VanDerWaalsContact C-N 3.26Å; A41-N43 PolarHBondContact O-N 3.34Å; N43-T45 HydrophobicContact CB-CG2 4.18Å; N43-T45 PolarHBondContact O-N 2.94Å; N43-T45 PolarHBondContact O-OG1 3.32Å; N43-T45 VanDerWaalsContact O-OG1 3.13Å
44K85.1Confident86.5Confident94 Ų9481.9 Ų81.941%0.40941%0.41SS..  trans-61.897.5175.8-66.5-177.7176.3179.70109.5F38 V53 T55F38-K44 HydrophobicContact CB-CG 4.24Å; F38-K44 HydrophobicContact CD1-CB 3.93Å; F38-K44 HydrophobicContact CD1-CG 4.06Å; F38-K44 HydrophobicContact CE1-CB 4.14Å; F38-K44 HydrophobicContact CG-CB 4.46Å; F38-K44 HydrophobicContact CG-CG 4.18Å; K44-V53 WeakPolarHBondContact CB-O 3.29Å; K44-V53 PolarHBondContact O-N 3.46Å; K44-T55 PolarHBondContact NZ-OG1 2.84Å; K44-T55 VanDerWaalsContact NZ-OG1 3.09Å
45T90.3Very high85.9Confident35 Ų3585.8 Ų85.822%0.21543%0.434CS..BIsolated β-bridgetrans-134147-176.451.90000109.6W37 F38 N43 R50 K51W37-T45 PolarHBondContact NE1-O 3.31Å; F38-T45 WeakPolarHBondContact CE1-O 3.46Å; N43-T45 HydrophobicContact CB-CG2 4.18Å; N43-T45 PolarHBondContact O-N 2.94Å; N43-T45 PolarHBondContact O-OG1 3.32Å; N43-T45 VanDerWaalsContact O-OG1 3.13Å; T45-R50 WeakPolarHBondContact CG2-O 3.3Å; T45-K51 CarbonylContact C-O 3.59Å; T45-K51 WeakPolarHBondContact CA-O 3.35Å
46C91.1Very high85.5Confident0 Ų093.1 Ų93.10%046%0.457CS..  trans-60.4128.3178.1174.70000109.9I23 Q48 C49 R50 K51 V53I23-C46 HydrophobicContact CD1-CB 4.04Å; C46-Q48 PolarHBondContact O-N 2.81Å; C46-Q48 VanDerWaalsContact O-N 3.11Å; C46-Q48 PolarHBondContact SG-N 3.2Å; C46-C49 VanDerWaalsContact SG-SG 3.67Å; C46-R50 WeakPolarHBondContact O-CA 3.39Å; C46-R50 PolarHBondContact O-N 3.39Å; C46-K51 PolarHBondContact N-O 2.88Å; C46-V53 HydrophobicContact CB-CG2 4.24Å
47P89.4Confident85Confident31 Ų3192.7 Ų92.720%0.20146%0.455CS..THydrogen-bonded Turntrans-55.9-29.5178.8-20.123.6000114I9 F29 L34 W37I9-P47 HydrophobicContact CD1-CG 3.76Å; I9-P47 HydrophobicContact CG1-CB 4.07Å; I9-P47 HydrophobicContact CG1-CG 3.86Å; F29-P47 HydrophobicContact CD1-CG 4.29Å; F29-P47 HydrophobicContact CE1-CB 3.87Å; F29-P47 HydrophobicContact CE1-CG 3.7Å; F29-P47 HydrophobicContact CE2-CG 4.28Å; F29-P47 HydrophobicContact CZ-CB 4.03Å; F29-P47 HydrophobicContact CZ-CG 3.72Å; L34-P47 HydrophobicContact CD1-CG 4.5Å; W37-P47 HydrophobicContact CD2-CB 4.28Å; W37-P47 HydrophobicContact CD2-CG 4.03Å; W37-P47 HydrophobicContact CG-CG 3.87Å; W37-P47 HydrophobicContact CZ2-CB 4.19Å
48Q88.8Confident84.8Confident104 Ų10489.1 Ų89.149%0.48644%0.443SS..THydrogen-bonded Turntrans-92.7-44.2-173.2-170.9161.1-30.700113.6T8 H27 F29 C46T8-Q48 PolarHBondContact OG1-OE1 3.3Å; H27-Q48 PolarHBondContact CD2-NE2 3.28Å; H27-Q48 PolarHBondContact NE2-NE2 3.03Å; F29-Q48 HydrophobicContact CZ-CB 4.16Å; C46-Q48 PolarHBondContact O-N 2.81Å; C46-Q48 VanDerWaalsContact O-N 3.11Å; C46-Q48 PolarHBondContact SG-N 3.2Å
49C91.2Very high84.9Confident47 Ų4792.8 Ų92.832%0.31846%0.462SS..THydrogen-bonded Turntrans-117.31.9-175.669.70000114.7C25 H27 C46 K51C25-C49 VanDerWaalsContact SG-SG 3.63Å; H27-C49 VanDerWaalsContact CE1-SG 3.58Å; H27-C49 PolarHBondContact ND1-SG 3.28Å; C46-C49 VanDerWaalsContact SG-SG 3.67Å; C49-K51 PolarHBondContact O-N 2.7Å
50R88.9Confident85Confident214 Ų21489.5 Ų89.581%0.80845%0.45SS*.  trans57.58.8178.2-56.3-174.6179.7-168.4-0.1116.2T45 C46T45-R50 WeakPolarHBondContact CG2-O 3.3Å; C46-R50 WeakPolarHBondContact O-CA 3.39Å; C46-R50 PolarHBondContact O-N 3.39Å
51K88.4Confident85.2Confident129 Ų12988.2 Ų88.256%0.56143%0.434SS*.  trans-60137.7171.1-69.4-173.5-179.1-173.10110.3C25 T45 C46 C49 V53C25-K51 HydrophobicContact CB-CB 4.34Å; C25-K51 HydrophobicContact CB-CD 3.95Å; T45-K51 CarbonylContact C-O 3.59Å; T45-K51 WeakPolarHBondContact CA-O 3.35Å; C46-K51 PolarHBondContact N-O 2.88Å; C49-K51 PolarHBondContact O-N 2.7Å; K51-V53 WeakPolarHBondContact O-CG2 3.44Å
52Q87.3Confident85.6Confident154 Ų15489.3 Ų89.372%0.7244%0.437SS*.BIsolated β-bridgetrans-65.9132.7-179-169.9174.816.200111.1H24H24-Q52 PolarHBondContact CE1-O 3.05Å; H24-Q52 PolarHBondContact NE2-O 3.33Å
53V86.8Confident86.1Confident5 Ų591.3 Ų91.33%0.0343%0.432CS..  trans-112.5119-174.3-1740000110.6I23 F38 K44 C46 K51 I58I23-V53 HydrophobicContact CD1-CG2 4.24Å; I23-V53 HydrophobicContact CG2-CB 4.16Å; I23-V53 HydrophobicContact CG2-CG1 3.64Å; I23-V53 HydrophobicContact CG2-CG2 3.41Å; I23-V53 VanDerWaalsContact CG2-CG2 3.41Å; F38-V53 HydrophobicContact CE1-CB 4.17Å; F38-V53 HydrophobicContact CE1-CG2 4.27Å; F38-V53 HydrophobicContact CE2-CG1 4.25Å; F38-V53 HydrophobicContact CZ-CB 3.79Å; F38-V53 HydrophobicContact CZ-CG1 3.72Å; F38-V53 HydrophobicContact CZ-CG2 4Å; K44-V53 WeakPolarHBondContact CB-O 3.29Å; K44-V53 PolarHBondContact O-N 3.46Å; C46-V53 HydrophobicContact CB-CG2 4.24Å; K51-V53 WeakPolarHBondContact O-CG2 3.44Å; V53-I58 HydrophobicContact CG1-CD1 4Å; V53-I58 HydrophobicContact CG1-CG1 3.79Å
54S82.4Confident86Confident54 Ų5490.5 Ų90.538%0.37842%0.424SS..  trans-84.2132.7165.6177.80000109.9R56 H57S54-R56 PolarHBondContact O-N 2.99Å; S54-H57 PolarHBondContact O-N 3.22Å
55T77.1Confident85.2Confident84 Ų8493.8 Ų93.852%0.51545%0.446SS..G310 helixtrans-56.7-23.9179.1-36.10000112.8K44 H57 I58K44-T55 PolarHBondContact NZ-OG1 2.84Å; K44-T55 VanDerWaalsContact NZ-OG1 3.09Å; T55-H57 VanDerWaalsContact C-N 3.29Å; T55-H57 PolarHBondContact O-N 3.41Å; T55-I58 HydrophobicContact CG2-CD1 4.4Å
56R80Confident84.1Confident229 Ų22996.4 Ų96.486%0.86446%0.458SS*.G310 helixtrans-74.6-16.2-179.8-59.6-173.5-173.7-137.22.1113.9S54S54-R56 PolarHBondContact O-N 2.99Å
57H81.3Confident82.2Confident117 Ų11798.9 Ų98.954%0.54248%0.483SS..G310 helixtrans-115.230.1-176.4-50.7123.2000112.1H24 S54 T55H24-H57 HydrophobicContact CB-CB 3.85Å; H24-H57 PolarHBondContact N-O 2.97Å; S54-H57 PolarHBondContact O-N 3.22Å; T55-H57 VanDerWaalsContact C-N 3.29Å; T55-H57 PolarHBondContact O-N 3.41Å
58I86Confident80.6Confident25 Ų25101.5 Ų101.513%0.12852%0.515CS..EExtended strand (participates in β ladder)trans-104.1130.3173-57.4167.4000107.8L34 F38 V53 T55L34-I58 HydrophobicContact CD2-CG2 4.15Å; F38-I58 HydrophobicContact CD2-CD1 4.24Å; F38-I58 HydrophobicContact CE2-CD1 3.52Å; F38-I58 HydrophobicContact CZ-CD1 4.38Å; V53-I58 HydrophobicContact CG1-CD1 4Å; V53-I58 HydrophobicContact CG1-CG1 3.79Å; T55-I58 HydrophobicContact CG2-CD1 4.4Å
59I89.7Confident78.6Confident100 Ų100105.6 Ų105.651%0.51354%0.535SS..EExtended strand (participates in β ladder)trans-93107.2169.4-56.1172.5000106.2A21 A22 K61 L62A21-I59 CarbonylContact C-O 3.44Å; A21-I59 WeakPolarHBondContact CA-O 3.48Å; A21-I59 WeakPolarHBondContact CB-O 3.21Å; A22-I59 HydrophobicContact CB-CB 4.45Å; A22-I59 PolarHBondContact N-O 3.12Å; A22-I59 PolarHBondContact O-N 3.34Å; I59-K61 VanDerWaalsContact C-N 3.3Å; I59-K61 PolarHBondContact O-N 3.28Å; I59-L62 HydrophobicContact CB-CD2 4.35Å; I59-L62 HydrophobicContact CG2-CD2 3.78Å
60N87.1Confident76.4Confident80 Ų80106.4 Ų106.443%0.42855%0.551SS.*SBendtrans-70-26.7-169.7-65.2-16.3000113.6Y31Y31-N60 HydrophobicContact CD2-CB 3.86Å; Y31-N60 HydrophobicContact CE2-CB 3.63Å; Y31-N60 VanDerWaalsContact CE2-CG 3.47Å; Y31-N60 WeakPolarHBondContact CE2-OD1 3.4Å
61K88.4Confident74.5Confident86 Ų86106.3 Ų106.337%0.37456%0.559SS.*  trans-143.9121.2-179.6-173.1168.7-177.2151.50110.3D19 V20 I59 F63D19-K61 HydrophobicContact CB-CD 4.43Å; D19-K61 HydrophobicContact CB-CG 4.32Å; D19-K61 WeakPolarHBondContact OD1-CD 3.36Å; D19-K61 WeakPolarHBondContact OD1-CE 3.42Å; D19-K61 IonicContact OD1-NZ 2.98Å; D19-K61 PolarHBondContact OD1-NZ 3.46Å; D19-K61 IonicContact OD2-NZ 2.65Å; V20-K61 CarbonylContact O-C 3.55Å; V20-K61 VanDerWaalsContact O-CA 3.31Å; V20-K61 WeakPolarHBondContact O-CA 3.43Å; I59-K61 VanDerWaalsContact C-N 3.3Å; I59-K61 PolarHBondContact O-N 3.28Å; K61-F63 HydrophobicContact CB-CE2 4.44Å; K61-F63 HydrophobicContact CD-CE1 3.98Å; K61-F63 HydrophobicContact CD-CE2 4.13Å; K61-F63 HydrophobicContact CD-CZ 3.57Å; K61-F63 VanDerWaalsContact CE-CE1 3.47Å; K61-F63 HydrophobicContact CG-CE1 4.36Å; K61-F63 HydrophobicContact CG-CE2 4Å; K61-F63 HydrophobicContact CG-CZ 3.92Å
62L86.1Confident72.5Confident46 Ų46103.6 Ų103.624%0.24157%0.568CS.*  trans-93.2132.7169.2-65-177.4000109.2V20 A22 T28 I59 F64V20-L62 HydrophobicContact CG1-CD1 4.34Å; V20-L62 PolarHBondContact O-N 3.24Å; A22-L62 HydrophobicContact CB-CD1 3.91Å; A22-L62 HydrophobicContact CB-CD2 4.16Å; A22-L62 HydrophobicContact CB-CG 4.21Å; T28-L62 HydrophobicContact CG2-CD1 3.79Å; I59-L62 HydrophobicContact CB-CD2 4.35Å; I59-L62 HydrophobicContact CG2-CD2 3.78Å; L62-F64 HydrophobicContact CB-CE1 4.48Å; L62-F64 HydrophobicContact CB-CE2 3.97Å; L62-F64 HydrophobicContact CB-CZ 3.91Å; L62-F64 HydrophobicContact CD1-CE1 4.21Å; L62-F64 HydrophobicContact CD1-CZ 3.75Å
63F82.4Confident70.7Confident171 Ų171101.4 Ų101.475%0.7557%0.57SS**  trans-103.2113.4169.5-62.3-87.8000107.2K61K61-F63 HydrophobicContact CB-CE2 4.44Å; K61-F63 HydrophobicContact CD-CE1 3.98Å; K61-F63 HydrophobicContact CD-CE2 4.13Å; K61-F63 HydrophobicContact CD-CZ 3.57Å; K61-F63 VanDerWaalsContact CE-CE1 3.47Å; K61-F63 HydrophobicContact CG-CE1 4.36Å; K61-F63 HydrophobicContact CG-CE2 4Å; K61-F63 HydrophobicContact CG-CZ 3.92Å
64F77.3Confident68.9Low96 Ų96105.9 Ų105.942%0.42160%0.601SS.*  trans-88.6113.8176-59.9-80000108.1I3 V20 L62 I66I3-F64 HydrophobicContact CD1-CB 3.94Å; I3-F64 HydrophobicContact CD1-CD1 3.86Å; I3-F64 HydrophobicContact CD1-CD2 3.42Å; I3-F64 VanDerWaalsContact CD1-CD2 3.42Å; I3-F64 HydrophobicContact CD1-CE1 4.21Å; I3-F64 HydrophobicContact CD1-CE2 3.8Å; I3-F64 HydrophobicContact CD1-CG 3.45Å; I3-F64 VanDerWaalsContact CD1-CG 3.45Å; I3-F64 HydrophobicContact CD1-CZ 4.18Å; V20-F64 HydrophobicContact CB-CE2 4.02Å; V20-F64 HydrophobicContact CB-CZ 4.5Å; V20-F64 HydrophobicContact CG1-CE2 4.2Å; V20-F64 HydrophobicContact CG1-CZ 4.21Å; V20-F64 HydrophobicContact CG2-CE2 4.09Å; L62-F64 HydrophobicContact CB-CE1 4.48Å; L62-F64 HydrophobicContact CB-CE2 3.97Å; L62-F64 HydrophobicContact CB-CZ 3.91Å; L62-F64 HydrophobicContact CD1-CE1 4.21Å; L62-F64 HydrophobicContact CD1-CZ 3.75Å; F64-I66 HydrophobicContact CB-CD1 4.48Å; F64-I66 HydrophobicContact CB-CG1 3.97Å; F64-I66 PolarHBondContact O-N 3.01Å
65D69.9Low67.6Low163 Ų163105.8 Ų105.887%0.87260%0.604SS**  trans-76.378.9167.8-161.76.4000107.6G67D65-G67 VanDerWaalsContact C-N 3.31Å; D65-G67 PolarHBondContact O-N 3.48Å
66I66.3Low67.3Low90 Ų90105.8 Ų105.846%0.46260%0.601SS.*  trans-72.297.7172.9-56.9172.5000104.5I3 F64 G68I3-I66 HydrophobicContact CD1-CD1 4.26Å; I3-I66 HydrophobicContact CG1-CD1 4.11Å; F64-I66 HydrophobicContact CB-CD1 4.48Å; F64-I66 HydrophobicContact CB-CG1 3.97Å; F64-I66 PolarHBondContact O-N 3.01Å; I66-G68 PolarHBondContact O-N 3.02Å; I66-G68 VanDerWaalsContact O-N 3.1Å
67G51.3Low67.2Low51 Ų5199.6 Ų99.653%0.52659%0.59SS.*  trans-42.8121.8175.100000109.2D65 E69D65-G67 VanDerWaalsContact C-N 3.31Å; D65-G67 PolarHBondContact O-N 3.48Å; G67-E69 VanDerWaalsContact C-N 3.25Å; G67-E69 PolarHBondContact O-N 3.44Å
68G56.3Low67.3Low86 Ų86100.2 Ų100.289%0.88759%0.593SS**  trans-61.685.1-174.800000111.1I66 G70I66-G68 PolarHBondContact O-N 3.02Å; I66-G68 VanDerWaalsContact O-N 3.1Å; G68-G70 PolarHBondContact O-N 2.87Å
69E46.5Very low67.1Low191 Ų191102.2 Ų102.289%0.89361%0.609SS**  trans-86.3103.6170-73.2-169.2169.700109.1G67G67-E69 VanDerWaalsContact C-N 3.25Å; G67-E69 PolarHBondContact O-N 3.44Å
70G45Very low67Low64 Ų64102.2 Ų102.266%0.6661%0.609SS**  trans89.2105.1141.200000116.5G68 G72G68-G70 PolarHBondContact O-N 2.87Å; G70-G72 PolarHBondContact O-N 3.36Å
71E49.6Very low67.2Low211 Ų211102.6 Ų102.699%0.98661%0.609SS**THydrogen-bonded Turntrans-51.450.6139.4-88175.8148.900112.8
72G45.8Very low67.3Low72 Ų72102.2 Ų102.274%0.74261%0.611SS**THydrogen-bonded Turntrans-116.5-0.1-17900000114.2G70G70-G72 PolarHBondContact O-N 3.36Å
73S48.7Very low67.6Low109 Ų109104 Ų10476%0.76262%0.618SS**  trans-120.270.2156.3-177.70000106.6A75S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact O-N 3.33Å
74S49.8Very low68.2Low98 Ų98100.3 Ų100.369%0.68561%0.605SS**  trans-47.3112.6151.156.40000104.7D76S74-D76 PolarHBondContact O-N 2.99Å
75A55.7Low69Low53 Ų5398.9 Ų98.944%0.43860%0.602SS.*  trans-50.6112.7172.300000105.2S73 P77 L80S73-A75 VanDerWaalsContact C-N 3.33Å; S73-A75 PolarHBondContact O-N 3.33Å; A75-P77 VanDerWaalsContact O-N 3.16Å; A75-L80 HydrophobicContact CB-CD1 3.93Å; A75-L80 HydrophobicContact CB-CD2 4.03Å; A75-L80 HydrophobicContact CB-CG 3.83Å
76D70.1Confident70.3Confident84 Ų8497.6 Ų97.645%0.44959%0.585SS.*  trans-48.5125.9-173.9171.117.5000107.5S74 E78 C79 L80S74-D76 PolarHBondContact O-N 2.99Å; D76-E78 PolarHBondContact O-N 3.45Å; D76-E78 PolarHBondContact OD1-N 3.02Å; D76-C79 HydrophobicContact CB-CB 4Å; D76-C79 WeakPolarHBondContact O-CA 3.28Å; D76-C79 WeakPolarHBondContact O-CB 3.49Å; D76-C79 PolarHBondContact O-N 3.5Å; D76-L80 PolarHBondContact O-N 3.13Å; D76-L80 VanDerWaalsContact O-N 3.1Å
77P78.8Confident71.6Confident98 Ų9898.2 Ų98.264%0.63659%0.587SS**Hα-helixtrans-47.9-33.2179.2-29.634.7000112.5A75 Q81A75-P77 VanDerWaalsContact O-N 3.16Å; P77-Q81 VanDerWaalsContact O-CB 3.26Å; P77-Q81 WeakPolarHBondContact O-CB 3.36Å; P77-Q81 PolarHBondContact O-N 3.22Å
78E82Confident73.8Confident130 Ų130101.2 Ų101.261%0.60759%0.586SS**Hα-helixtrans-69.7-37.1175.7-164.7169.7-17300112.9D76 Q81 N82D76-E78 PolarHBondContact O-N 3.45Å; D76-E78 PolarHBondContact OD1-N 3.02Å; E78-Q81 PolarHBondContact O-N 2.75Å; E78-N82 WeakPolarHBondContact O-CB 3.48Å; E78-N82 PolarHBondContact O-N 3.24Å; E78-N82 PolarHBondContact O-ND2 2.79Å
79C83.1Confident75.7Confident68 Ų6899.8 Ų99.846%0.45957%0.565SS.*Hα-helixtrans-66.9-41.7175.2-171.20000112.4D76 N82 E83D76-C79 HydrophobicContact CB-CB 4Å; D76-C79 WeakPolarHBondContact O-CA 3.28Å; D76-C79 WeakPolarHBondContact O-CB 3.49Å; D76-C79 PolarHBondContact O-N 3.5Å; C79-N82 PolarHBondContact O-N 2.9Å; C79-E83 PolarHBondContact O-N 2.86Å
80L87.8Confident78.2Confident99 Ų9994.3 Ų94.352%0.51855%0.545SS..Hα-helixtrans-67.3-39.6174.3-70.2176.7000111.9A75 D76 E83 L84A75-L80 HydrophobicContact CB-CD1 3.93Å; A75-L80 HydrophobicContact CB-CD2 4.03Å; A75-L80 HydrophobicContact CB-CG 3.83Å; D76-L80 PolarHBondContact O-N 3.13Å; D76-L80 VanDerWaalsContact O-N 3.1Å; L80-E83 PolarHBondContact O-N 2.82Å; L80-L84 WeakPolarHBondContact O-CG 3.28Å; L80-L84 PolarHBondContact O-N 2.89Å
81Q89.9Confident80.6Confident88 Ų8897 Ų9741%0.41154%0.543SS..Hα-helixtrans-62.9-44.3175.5-175.759.344.200111.4P77 E78 E83 L84 D85P77-Q81 VanDerWaalsContact O-CB 3.26Å; P77-Q81 WeakPolarHBondContact O-CB 3.36Å; P77-Q81 PolarHBondContact O-N 3.22Å; E78-Q81 PolarHBondContact O-N 2.75Å; Q81-E83 VanDerWaalsContact C-N 3.34Å; Q81-E83 PolarHBondContact O-N 3.48Å; Q81-L84 PolarHBondContact O-N 2.84Å; Q81-D85 VanDerWaalsContact NE2-CG 3.32Å; Q81-D85 PolarHBondContact NE2-OD1 3.46Å; Q81-D85 VanDerWaalsContact NE2-OD1 3.16Å; Q81-D85 PolarHBondContact NE2-OD2 3.06Å; Q81-D85 PolarHBondContact O-N 3.31Å
82N91.1Very high82.9Confident78 Ų7889.3 Ų89.342%0.41751%0.513SS..Hα-helixtrans-60.9-40.4175-76.6-37.1000112.3E78 C79 D85 R86E78-N82 WeakPolarHBondContact O-CB 3.48Å; E78-N82 PolarHBondContact O-N 3.24Å; E78-N82 PolarHBondContact O-ND2 2.79Å; C79-N82 PolarHBondContact O-N 2.9Å; N82-D85 PolarHBondContact O-N 3.49Å; N82-R86 WeakPolarHBondContact O-CB 3.31Å; N82-R86 VanDerWaalsContact O-CG 3.32Å; N82-R86 WeakPolarHBondContact O-CG 3.49Å; N82-R86 PolarHBondContact O-N 2.91Å
83E93.1Very high85.4Confident83 Ų8388.7 Ų88.739%0.38850%0.495SS..Hα-helixtrans-66.4-41.9174.9-172.958.1-148.500111.9C79 L80 Q81 D85 R86 M87C79-E83 PolarHBondContact O-N 2.86Å; L80-E83 PolarHBondContact O-N 2.82Å; Q81-E83 VanDerWaalsContact C-N 3.34Å; Q81-E83 PolarHBondContact O-N 3.48Å; E83-D85 VanDerWaalsContact C-N 3.33Å; E83-D85 PolarHBondContact O-N 2.95Å; E83-R86 PolarHBondContact O-N 3.44Å; E83-R86 IonicContact OE2-CZ 3.47Å; E83-R86 IonicContact OE2-NE 3.5Å; E83-R86 PolarHBondContact OE2-NE 3.25Å; E83-R86 IonicContact OE2-NH2 3.45Å; E83-R86 PolarHBondContact OE2-NH2 2.93Å; E83-M87 WeakPolarHBondContact O-CB 3.27Å; E83-M87 VanDerWaalsContact O-CG 3.3Å; E83-M87 WeakPolarHBondContact O-CG 3.43Å; E83-M87 PolarHBondContact O-N 3.39Å
84L93.9Very high87.7Confident94 Ų9489.8 Ų89.849%0.49249%0.486SS..Hα-helixtrans-60.7-42.7174.7-76.9174.4000111.9L80 Q81 M87 K88L80-L84 WeakPolarHBondContact O-CG 3.28Å; L80-L84 PolarHBondContact O-N 2.89Å; Q81-L84 PolarHBondContact O-N 2.84Å; L84-M87 PolarHBondContact O-N 3.29Å; L84-K88 WeakPolarHBondContact O-CB 3.25Å; L84-K88 VanDerWaalsContact O-CG 3.26Å; L84-K88 WeakPolarHBondContact O-CG 3.32Å; L84-K88 PolarHBondContact O-N 2.94Å
85D95.2Very high90Very high67 Ų6790.2 Ų90.236%0.35848%0.477SS..Hα-helixtrans-72.1-35.5-179.7-66.9-26.7000112Q81 N82 E83 K88 A89Q81-D85 VanDerWaalsContact NE2-CG 3.32Å; Q81-D85 PolarHBondContact NE2-OD1 3.46Å; Q81-D85 VanDerWaalsContact NE2-OD1 3.16Å; Q81-D85 PolarHBondContact NE2-OD2 3.06Å; Q81-D85 PolarHBondContact O-N 3.31Å; N82-D85 PolarHBondContact O-N 3.49Å; E83-D85 VanDerWaalsContact C-N 3.33Å; E83-D85 PolarHBondContact O-N 2.95Å; D85-K88 PolarHBondContact O-N 3.48Å; D85-K88 IonicContact OD1-NZ 2.77Å; D85-K88 PolarHBondContact OD1-NZ 3.19Å; D85-A89 WeakPolarHBondContact O-CB 3.41Å; D85-A89 PolarHBondContact O-N 2.99Å
86R96Very high92Very high136 Ų13693.1 Ų93.151%0.51348%0.477SS..Hα-helixtrans-57.1-50166.9-78.5-168.1-70.2-1056.4111.3N82 E83 K88 A89 V90N82-R86 WeakPolarHBondContact O-CB 3.31Å; N82-R86 VanDerWaalsContact O-CG 3.32Å; N82-R86 WeakPolarHBondContact O-CG 3.49Å; N82-R86 PolarHBondContact O-N 2.91Å; E83-R86 PolarHBondContact O-N 3.44Å; E83-R86 IonicContact OE2-CZ 3.47Å; E83-R86 IonicContact OE2-NE 3.5Å; E83-R86 PolarHBondContact OE2-NE 3.25Å; E83-R86 IonicContact OE2-NH2 3.45Å; E83-R86 PolarHBondContact OE2-NH2 2.93Å; R86-K88 PolarHBondContact O-N 2.95Å; R86-A89 PolarHBondContact O-N 2.93Å; R86-V90 WeakPolarHBondContact O-CG2 3.27Å; R86-V90 PolarHBondContact O-N 3.43Å
87M95.1Very high93.3Very high103 Ų10391.9 Ų91.951%0.50747%0.471SS..Hα-helixtrans-66.1-38.9-178.5-71.4-64.3-8800112.4E83 L84 V90 L91E83-M87 WeakPolarHBondContact O-CB 3.27Å; E83-M87 VanDerWaalsContact O-CG 3.3Å; E83-M87 WeakPolarHBondContact O-CG 3.43Å; E83-M87 PolarHBondContact O-N 3.39Å; L84-M87 PolarHBondContact O-N 3.29Å; M87-V90 PolarHBondContact O-N 2.87Å; M87-L91 WeakPolarHBondContact O-CB 3.31Å; M87-L91 WeakPolarHBondContact O-CG 3.45Å; M87-L91 PolarHBondContact O-N 2.95Å
88K96.6Very high94.2Very high114 Ų11495 Ų9550%0.49647%0.47SS..Hα-helixtrans-61.1-43172-72.9171.4-161.2157.40111.9L84 D85 R86 L91 S92L84-K88 WeakPolarHBondContact O-CB 3.25Å; L84-K88 VanDerWaalsContact O-CG 3.26Å; L84-K88 WeakPolarHBondContact O-CG 3.32Å; L84-K88 PolarHBondContact O-N 2.94Å; D85-K88 PolarHBondContact O-N 3.48Å; D85-K88 IonicContact OD1-NZ 2.77Å; D85-K88 PolarHBondContact OD1-NZ 3.19Å; R86-K88 PolarHBondContact O-N 2.95Å; K88-L91 PolarHBondContact O-N 3.49Å; K88-S92 WeakPolarHBondContact O-CB 3.38Å; K88-S92 PolarHBondContact O-N 2.96Å
89A96.6Very high95Very high55 Ų5593.5 Ų93.546%0.45546%0.458SS..Hα-helixtrans-64.3-40.6177.400000111.9D85 R86 T93D85-A89 WeakPolarHBondContact O-CB 3.41Å; D85-A89 PolarHBondContact O-N 2.99Å; R86-A89 PolarHBondContact O-N 2.93Å; A89-T93 WeakPolarHBondContact O-CB 3.44Å; A89-T93 PolarHBondContact O-N 3.48Å; A89-T93 PolarHBondContact O-OG1 3.33Å
90V97.4Very high95.7Very high77 Ų7794 Ų9447%0.46746%0.457SS..Hα-helixtrans-62.9-47.41741720000110.8R86 M87 S92 T93 K94R86-V90 WeakPolarHBondContact O-CG2 3.27Å; R86-V90 PolarHBondContact O-N 3.43Å; M87-V90 PolarHBondContact O-N 2.87Å; V90-S92 PolarHBondContact O-N 2.97Å; V90-T93 PolarHBondContact O-N 2.79Å; V90-K94 HydrophobicContact CG1-CG 4.41Å; V90-K94 WeakPolarHBondContact O-CG 3.16Å; V90-K94 PolarHBondContact O-N 2.88Å
91L97Very high96.2Very high119 Ų11997.8 Ų97.862%0.62346%0.464SS*.Hα-helixtrans-60.4-46.2177.8-75.8172.4000111.9M87 K88 T93 K94 E95M87-L91 WeakPolarHBondContact O-CB 3.31Å; M87-L91 WeakPolarHBondContact O-CG 3.45Å; M87-L91 PolarHBondContact O-N 2.95Å; K88-L91 PolarHBondContact O-N 3.49Å; L91-T93 VanDerWaalsContact C-N 3.28Å; L91-T93 PolarHBondContact O-N 3.03Å; L91-K94 PolarHBondContact O-N 3.49Å; L91-E95 WeakPolarHBondContact O-CB 3.31Å; L91-E95 PolarHBondContact O-N 3.39Å
92S97.5Very high96.6Very high50 Ų5097.7 Ų97.735%0.3547%0.466SS..Hα-helixtrans-59.8-39.5176.6-176.30000112.1K88 V90 E95 R96K88-S92 WeakPolarHBondContact O-CB 3.38Å; K88-S92 PolarHBondContact O-N 2.96Å; V90-S92 PolarHBondContact O-N 2.97Å; S92-E95 PolarHBondContact O-N 2.76Å; S92-R96 PolarHBondContact O-N 2.87Å
93T97.5Very high97Very high60 Ų60101 Ų10137%0.36848%0.477SS..Hα-helixtrans-66.7-45.1175.9-57.10000111.2A89 V90 L91 E95 R96 D97A89-T93 WeakPolarHBondContact O-CB 3.44Å; A89-T93 PolarHBondContact O-N 3.48Å; A89-T93 PolarHBondContact O-OG1 3.33Å; V90-T93 PolarHBondContact O-N 2.79Å; L91-T93 VanDerWaalsContact C-N 3.28Å; L91-T93 PolarHBondContact O-N 3.03Å; T93-E95 VanDerWaalsContact C-N 3.32Å; T93-E95 PolarHBondContact O-N 3.22Å; T93-R96 WeakPolarHBondContact O-CB 3.5Å; T93-R96 PolarHBondContact O-N 2.89Å; T93-D97 VanDerWaalsContact O-CG 3.29Å; T93-D97 PolarHBondContact O-N 3.41Å
94K97.3Very high97.2Very high132 Ų132103.2 Ų103.257%0.57449%0.488SS*.Hα-helixtrans-63.4-35.9176.2-70.7-62.1-177.3-169.60113V90 L91 D97 W98V90-K94 HydrophobicContact CG1-CG 4.41Å; V90-K94 WeakPolarHBondContact O-CG 3.16Å; V90-K94 PolarHBondContact O-N 2.88Å; L91-K94 PolarHBondContact O-N 3.49Å; K94-D97 PolarHBondContact O-N 2.93Å; K94-W98 VanDerWaalsContact O-CB 3.3Å; K94-W98 WeakPolarHBondContact O-CB 3.47Å; K94-W98 PolarHBondContact O-N 2.96Å
95E98Very high97.4Very high106 Ų106102.9 Ų102.950%0.49549%0.49SS..Hα-helixtrans-66.7-39.6175.8-162.1-166.5157.800111.5L91 S92 T93 R99L91-E95 WeakPolarHBondContact O-CB 3.31Å; L91-E95 PolarHBondContact O-N 3.39Å; S92-E95 PolarHBondContact O-N 2.76Å; T93-E95 VanDerWaalsContact C-N 3.32Å; T93-E95 PolarHBondContact O-N 3.22Å; E95-R99 VanDerWaalsContact CD-NH1 3.26Å; E95-R99 WeakPolarHBondContact O-CG 3.35Å; E95-R99 PolarHBondContact O-N 3.47Å; E95-R99 IonicContact OE1-CZ 2.88Å; E95-R99 IonicContact OE1-NH1 3.29Å; E95-R99 PolarHBondContact OE1-NH1 2.97Å
96R97.9Very high97.6Very high114 Ų114103.6 Ų103.643%0.4349%0.491SS..Hα-helixtrans-63.8-50.3172.3-167.7-173.8-55.5105.54111.2S92 T93 W98 R99 D100S92-R96 PolarHBondContact O-N 2.87Å; T93-R96 WeakPolarHBondContact O-CB 3.5Å; T93-R96 PolarHBondContact O-N 2.89Å; R96-W98 VanDerWaalsContact C-N 3.27Å; R96-W98 PolarHBondContact O-N 3.28Å; R96-R99 WeakPolarHBondContact O-CB 3.26Å; R96-R99 PolarHBondContact O-N 3.33Å; R96-R99 VanDerWaalsContact O-N 3.1Å; R96-D100 PolarHBondContact O-N 3.15Å
97D98.1Very high97.7Very high59 Ų5998.6 Ų98.632%0.31648%0.482SS..Hα-helixtrans-57.2-41.6177.5-69.5-10.3000111.6T93 K94 D100 R101T93-D97 VanDerWaalsContact O-CG 3.29Å; T93-D97 PolarHBondContact O-N 3.41Å; K94-D97 PolarHBondContact O-N 2.93Å; D97-D100 PolarHBondContact O-N 3.32Å; D97-R101 WeakPolarHBondContact O-CB 3.3Å; D97-R101 WeakPolarHBondContact O-CG 3.46Å; D97-R101 PolarHBondContact O-N 3.02Å
98W97.9Very high97.8Very high163 Ų16398.7 Ų98.762%0.61748%0.484SS*.Hα-helixtrans-63.3-44.3176.917789.1000111.5K94 R96 D100 R101 L102K94-W98 VanDerWaalsContact O-CB 3.3Å; K94-W98 WeakPolarHBondContact O-CB 3.47Å; K94-W98 PolarHBondContact O-N 2.96Å; R96-W98 VanDerWaalsContact C-N 3.27Å; R96-W98 PolarHBondContact O-N 3.28Å; W98-D100 PolarHBondContact O-N 3.45Å; W98-R101 PolarHBondContact O-N 3.13Å; W98-L102 HydrophobicContact CH2-CD2 3.63Å; W98-L102 HydrophobicContact CZ2-CD2 4.06Å; W98-L102 HydrophobicContact CZ3-CD2 4.01Å; W98-L102 WeakPolarHBondContact O-CB 3.44Å; W98-L102 PolarHBondContact O-N 3.49Å
99R98.3Very high97.9Very high98 Ų9898.4 Ų98.437%0.3748%0.483SS..Hα-helixtrans-61.7-42.7175.3-78.4-171.1-71.1-98.1-4.9112.2E95 R96 L102 K103E95-R99 VanDerWaalsContact CD-NH1 3.26Å; E95-R99 WeakPolarHBondContact O-CG 3.35Å; E95-R99 PolarHBondContact O-N 3.47Å; E95-R99 IonicContact OE1-CZ 2.88Å; E95-R99 IonicContact OE1-NH1 3.29Å; E95-R99 PolarHBondContact OE1-NH1 2.97Å; R96-R99 WeakPolarHBondContact O-CB 3.26Å; R96-R99 PolarHBondContact O-N 3.33Å; R96-R99 VanDerWaalsContact O-N 3.1Å; R99-L102 PolarHBondContact O-N 2.86Å; R99-K103 WeakPolarHBondContact O-CG 3.44Å; R99-K103 PolarHBondContact O-N 3.46Å
100D98.1Very high98Very high79 Ų79101.4 Ų101.442%0.42249%0.487SS..Hα-helixtrans-69.1-39.9-179.3-67.4-22.4000111.3R96 D97 W98 K103 M104R96-D100 PolarHBondContact O-N 3.15Å; D97-D100 PolarHBondContact O-N 3.32Å; W98-D100 PolarHBondContact O-N 3.45Å; D100-K103 PolarHBondContact O-N 2.8Å; D100-M104 PolarHBondContact O-N 3.03Å
101R98Very high98.1Very high178 Ų17899.9 Ų99.967%0.67248%0.478SS*.Hα-helixtrans-62.3-41.3171.2-73.6171.9-175.2-111.80.2112D97 W98 M104 V105D97-R101 WeakPolarHBondContact O-CB 3.3Å; D97-R101 WeakPolarHBondContact O-CG 3.46Å; D97-R101 PolarHBondContact O-N 3.02Å; W98-R101 PolarHBondContact O-N 3.13Å; R101-M104 WeakPolarHBondContact O-CB 3.44Å; R101-M104 PolarHBondContact O-N 2.99Å; R101-V105 WeakPolarHBondContact O-CG2 3.15Å; R101-V105 PolarHBondContact O-N 3.21Å
102L98.3Very high98.1Very high87 Ų8797.3 Ų97.346%0.45547%0.467SS..Hα-helixtrans-62.3-44.7177.3-176.964.3000111.5W98 R99 M104 V105 E106W98-L102 HydrophobicContact CH2-CD2 3.63Å; W98-L102 HydrophobicContact CZ2-CD2 4.06Å; W98-L102 HydrophobicContact CZ3-CD2 4.01Å; W98-L102 WeakPolarHBondContact O-CB 3.44Å; W98-L102 PolarHBondContact O-N 3.49Å; R99-L102 PolarHBondContact O-N 2.86Å; L102-M104 VanDerWaalsContact C-N 3.32Å; L102-M104 PolarHBondContact O-N 2.74Å; L102-V105 PolarHBondContact O-N 3.03Å; L102-E106 PolarHBondContact O-N 2.84Å
103K98.4Very high98.2Very high147 Ų14797.9 Ų97.964%0.63947%0.466SS*.Hα-helixtrans-60.2-41.5174-72.1173.8-176.5171.50112.1R99 D100 E106 G107R99-K103 WeakPolarHBondContact O-CG 3.44Å; R99-K103 PolarHBondContact O-N 3.46Å; D100-K103 PolarHBondContact O-N 2.8Å; K103-E106 PolarHBondContact O-N 3.41Å; K103-G107 PolarHBondContact O-N 2.9Å
104M98.3Very high98.2Very high129 Ų129101.2 Ų101.264%0.63547%0.472SS*.Hα-helixtrans-62.7-44.1176.2-176.3-175.4-68.700111.6D100 R101 L102 E106 G107 L108D100-M104 PolarHBondContact O-N 3.03Å; R101-M104 WeakPolarHBondContact O-CB 3.44Å; R101-M104 PolarHBondContact O-N 2.99Å; L102-M104 VanDerWaalsContact C-N 3.32Å; L102-M104 PolarHBondContact O-N 2.74Å; M104-E106 PolarHBondContact O-N 2.94Å; M104-G107 PolarHBondContact O-N 3.14Å; M104-L108 HydrophobicContact CG-CD1 4.27Å; M104-L108 WeakPolarHBondContact O-CB 3.48Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å; M104-L108 PolarHBondContact O-N 2.91Å
105V98.3Very high98.3Very high87 Ų87100.2 Ų100.253%0.52747%0.47SS..Hα-helixtrans-61.6-43.6177.7169.20000111.3R101 L102 L108 K109R101-V105 WeakPolarHBondContact O-CG2 3.15Å; R101-V105 PolarHBondContact O-N 3.21Å; L102-V105 PolarHBondContact O-N 3.03Å; V105-L108 PolarHBondContact O-N 2.73Å; V105-K109 WeakPolarHBondContact O-CB 3.3Å; V105-K109 PolarHBondContact O-N 3.46Å
106E98.3Very high98.3Very high83 Ų83100.3 Ų100.339%0.38847%0.468SS..Hα-helixtrans-65.1-42.9177.4-163.462.1-145.200111.4L102 K103 M104 L108 K109 E110L102-E106 PolarHBondContact O-N 2.84Å; K103-E106 PolarHBondContact O-N 3.41Å; M104-E106 PolarHBondContact O-N 2.94Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.75Å; E106-K109 WeakPolarHBondContact O-CB 3.45Å; E106-K109 PolarHBondContact O-N 3.32Å; E106-K109 VanDerWaalsContact O-N 3.14Å; E106-K109 IonicContact OE1-NZ 2.89Å; E106-K109 PolarHBondContact OE1-NZ 2.93Å; E106-K109 IonicContact OE2-NZ 3.06Å; E106-E110 WeakPolarHBondContact O-CG 3.29Å; E106-E110 PolarHBondContact O-N 2.88Å
107G98.4Very high98.3Very high30 Ų30101.7 Ų101.731%0.30948%0.477SS..Hα-helixtrans-63-35.8175.700000113.8K103 M104 T111K103-G107 PolarHBondContact O-N 2.9Å; M104-G107 PolarHBondContact O-N 3.14Å; G107-T111 WeakPolarHBondContact O-CB 3.38Å; G107-T111 PolarHBondContact O-N 2.87Å; G107-T111 VanDerWaalsContact O-N 3.1Å; G107-T111 PolarHBondContact O-OG1 2.92Å
108L98.4Very high98.4Very high105 Ų105102.9 Ų102.955%0.5548%0.484SS..Hα-helixtrans-66.8-41.8172.7-74.3174.6000111.4M104 V105 E106 T111 V112M104-L108 HydrophobicContact CG-CD1 4.27Å; M104-L108 WeakPolarHBondContact O-CB 3.48Å; M104-L108 WeakPolarHBondContact O-CG 3.41Å; M104-L108 PolarHBondContact O-N 2.91Å; V105-L108 PolarHBondContact O-N 2.73Å; E106-L108 VanDerWaalsContact C-N 3.32Å; E106-L108 PolarHBondContact O-N 2.75Å; L108-T111 WeakPolarHBondContact O-CB 3.26Å; L108-T111 PolarHBondContact O-N 3.27Å; L108-V112 WeakPolarHBondContact O-CG2 3.38Å; L108-V112 PolarHBondContact O-N 3.39Å
109K98.5Very high98.4Very high109 Ų109100.6 Ų100.647%0.47448%0.483SS..Hα-helixtrans-62.6-45.7177.5-178.4-177.7162.5-147.60111.8V105 E106 T111 V112 D113V105-K109 WeakPolarHBondContact O-CB 3.3Å; V105-K109 PolarHBondContact O-N 3.46Å; E106-K109 WeakPolarHBondContact O-CB 3.45Å; E106-K109 PolarHBondContact O-N 3.32Å; E106-K109 VanDerWaalsContact O-N 3.14Å; E106-K109 IonicContact OE1-NZ 2.89Å; E106-K109 PolarHBondContact OE1-NZ 2.93Å; E106-K109 IonicContact OE2-NZ 3.06Å; K109-T111 VanDerWaalsContact C-N 3.26Å; K109-T111 PolarHBondContact O-N 3.43Å; K109-V112 PolarHBondContact O-N 3.49Å; K109-D113 PolarHBondContact O-N 2.9Å
110E98.5Very high98.4Very high118 Ų118100.2 Ų100.255%0.55149%0.488SS*.Hα-helixtrans-58.6-39.1173.5-71.9179.1176.700112E106 D113 R114E106-E110 WeakPolarHBondContact O-CG 3.29Å; E106-E110 PolarHBondContact O-N 2.88Å; E110-D113 PolarHBondContact O-N 3.44Å; E110-R114 WeakPolarHBondContact O-CB 3.45Å; E110-R114 PolarHBondContact O-N 2.85Å
111T98.4Very high98.4Very high45 Ų45100.7 Ų100.728%0.27649%0.49SS..Hα-helixtrans-67.7-43.2177.3-61.90000112G107 L108 K109 D113 R114 Q115G107-T111 WeakPolarHBondContact O-CB 3.38Å; G107-T111 PolarHBondContact O-N 2.87Å; G107-T111 VanDerWaalsContact O-N 3.1Å; G107-T111 PolarHBondContact O-OG1 2.92Å; L108-T111 WeakPolarHBondContact O-CB 3.26Å; L108-T111 PolarHBondContact O-N 3.27Å; K109-T111 VanDerWaalsContact C-N 3.26Å; K109-T111 PolarHBondContact O-N 3.43Å; T111-D113 VanDerWaalsContact C-N 3.33Å; T111-D113 PolarHBondContact O-N 2.85Å; T111-R114 PolarHBondContact O-N 3.47Å; T111-R114 PolarHBondContact OG1-NH2 3.08Å; T111-R114 VanDerWaalsContact OG1-NH2 3.12Å; T111-Q115 WeakPolarHBondContact O-CG 3.41Å; T111-Q115 PolarHBondContact O-N 2.85Å
112V98.6Very high98.4Very high64 Ų6495.7 Ų95.739%0.38848%0.479SS..Hα-helixtrans-61-43.4174.71660000110.7L108 K109 R114 Q115 K116L108-V112 WeakPolarHBondContact O-CG2 3.38Å; L108-V112 PolarHBondContact O-N 3.39Å; K109-V112 PolarHBondContact O-N 3.49Å; V112-R114 VanDerWaalsContact C-N 3.34Å; V112-R114 PolarHBondContact O-N 3.39Å; V112-Q115 PolarHBondContact O-N 3.22Å; V112-K116 HydrophobicContact CG1-CD 4.3Å; V112-K116 VanDerWaalsContact CG1-CE 3.49Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 3.47Å
113D98.4Very high98.4Very high62 Ų62100.3 Ų100.333%0.33249%0.49SS..Hα-helixtrans-69.7-32.1-179.7-71.5-19.6000112.5K109 E110 T111 K116 K117K109-D113 PolarHBondContact O-N 2.9Å; E110-D113 PolarHBondContact O-N 3.44Å; T111-D113 VanDerWaalsContact C-N 3.33Å; T111-D113 PolarHBondContact O-N 2.85Å; D113-K116 IonicContact OD1-NZ 3.46Å; D113-K116 PolarHBondContact OD1-NZ 3.35Å; D113-K117 WeakPolarHBondContact O-CG 3.18Å; D113-K117 PolarHBondContact O-N 3.43Å
114R98.5Very high98.5Very high130 Ų130100.3 Ų100.349%0.49149%0.49SS..Hα-helixtrans-63.7-50.1169.2-171.2179.2-13.21097.6111.3E110 T111 V112 K116 K117 D118E110-R114 WeakPolarHBondContact O-CB 3.45Å; E110-R114 PolarHBondContact O-N 2.85Å; T111-R114 PolarHBondContact O-N 3.47Å; T111-R114 PolarHBondContact OG1-NH2 3.08Å; T111-R114 VanDerWaalsContact OG1-NH2 3.12Å; V112-R114 VanDerWaalsContact C-N 3.34Å; V112-R114 PolarHBondContact O-N 3.39Å; R114-K116 VanDerWaalsContact C-N 3.31Å; R114-K116 PolarHBondContact O-N 3.47Å; R114-K117 WeakPolarHBondContact O-CB 3.44Å; R114-K117 PolarHBondContact O-N 3.02Å; R114-K117 VanDerWaalsContact O-N 3.11Å; R114-D118 PolarHBondContact O-N 3.44Å
115Q98.3Very high98.5Very high112 Ų11299.1 Ų99.152%0.52348%0.483SS..Hα-helixtrans-60.9-37.4178.6-73.9178-25.400112.8T111 V112 D118 L119T111-Q115 WeakPolarHBondContact O-CG 3.41Å; T111-Q115 PolarHBondContact O-N 2.85Å; V112-Q115 PolarHBondContact O-N 3.22Å; Q115-D118 PolarHBondContact O-N 2.94Å; Q115-L119 WeakPolarHBondContact O-CB 3.38Å; Q115-L119 VanDerWaalsContact O-CG 3.3Å; Q115-L119 WeakPolarHBondContact O-CG 3.2Å; Q115-L119 PolarHBondContact O-N 3.2Å
116K98.5Very high98.5Very high108 Ų10899.4 Ų99.447%0.4748%0.481SS..Hα-helixtrans-60.4-44.4174-75.1172.7-170.5157.40111.9V112 D113 R114 L119 D120V112-K116 HydrophobicContact CG1-CD 4.3Å; V112-K116 VanDerWaalsContact CG1-CE 3.49Å; V112-K116 WeakPolarHBondContact O-CG 3.49Å; V112-K116 PolarHBondContact O-N 3.47Å; D113-K116 IonicContact OD1-NZ 3.46Å; D113-K116 PolarHBondContact OD1-NZ 3.35Å; R114-K116 VanDerWaalsContact C-N 3.31Å; R114-K116 PolarHBondContact O-N 3.47Å; K116-L119 PolarHBondContact O-N 3.34Å; K116-D120 PolarHBondContact O-N 3.26Å
117K98.5Very high98.5Very high142 Ų14297.3 Ų97.362%0.61748%0.481SS*.Hα-helixtrans-62.6-44.3177.1-69.9171.5-176.7175.10111.3D113 R114 L119 D120 I121D113-K117 WeakPolarHBondContact O-CG 3.18Å; D113-K117 PolarHBondContact O-N 3.43Å; R114-K117 WeakPolarHBondContact O-CB 3.44Å; R114-K117 PolarHBondContact O-N 3.02Å; R114-K117 VanDerWaalsContact O-N 3.11Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3Å; K117-D120 PolarHBondContact O-N 3.18Å; K117-I121 WeakPolarHBondContact O-CG1 3.25Å; K117-I121 PolarHBondContact O-N 3.15Å
118D98.4Very high98.5Very high85 Ų85102.3 Ų102.346%0.45550%0.497SS..Hα-helixtrans-62.5-42.3177.6-63.2-21.8000111.2R114 Q115 D120 I121 V122R114-D118 PolarHBondContact O-N 3.44Å; Q115-D118 PolarHBondContact O-N 2.94Å; D118-D120 VanDerWaalsContact C-N 3.34Å; D118-D120 PolarHBondContact O-N 3.16Å; D118-I121 PolarHBondContact O-N 2.75Å; D118-V122 WeakPolarHBondContact O-CG2 3.34Å; D118-V122 PolarHBondContact O-N 3.23Å
119L98.5Very high98.4Very high115 Ų115103.9 Ų103.960%0.60250%0.499SS*.Hα-helixtrans-61.9-39.7174.8-76.7173.6000112.6Q115 K116 K117 R123Q115-L119 WeakPolarHBondContact O-CB 3.38Å; Q115-L119 VanDerWaalsContact O-CG 3.3Å; Q115-L119 WeakPolarHBondContact O-CG 3.2Å; Q115-L119 PolarHBondContact O-N 3.2Å; K116-L119 PolarHBondContact O-N 3.34Å; K117-L119 VanDerWaalsContact C-N 3.34Å; K117-L119 PolarHBondContact O-N 3Å; L119-R123 WeakPolarHBondContact O-CB 3.21Å; L119-R123 PolarHBondContact O-N 3.28Å
120D98.5Very high98.4Very high89 Ų89103.2 Ų103.248%0.47650%0.501SS..Hα-helixtrans-67.2-37.2177-78.4-17.9000112K116 K117 D118 K124K116-D120 PolarHBondContact O-N 3.26Å; K117-D120 PolarHBondContact O-N 3.18Å; D118-D120 VanDerWaalsContact C-N 3.34Å; D118-D120 PolarHBondContact O-N 3.16Å; D120-K124 WeakPolarHBondContact O-CG 3.5Å; D120-K124 PolarHBondContact O-N 2.93Å; D120-K124 VanDerWaalsContact O-N 3.15Å
121I98.5Very high98.4Very high90 Ų90103.7 Ų103.746%0.46251%0.505SS..Hα-helixtrans-63.7-53.9174.4-67.7164.9000109.7K117 D118 R123 K124 E125K117-I121 WeakPolarHBondContact O-CG1 3.25Å; K117-I121 PolarHBondContact O-N 3.15Å; D118-I121 PolarHBondContact O-N 2.75Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 3.36Å; I121-K124 WeakPolarHBondContact O-CB 3.26Å; I121-K124 PolarHBondContact O-N 3.3Å; I121-K124 VanDerWaalsContact O-N 3.08Å; I121-E125 PolarHBondContact O-N 3.13Å
122V98.5Very high98.4Very high72 Ų72106.2 Ų106.244%0.43652%0.516SS..Hα-helixtrans-60.5-38.5-179.61730000111.3D118 K124 E125 I126D118-V122 WeakPolarHBondContact O-CG2 3.34Å; D118-V122 PolarHBondContact O-N 3.23Å; V122-K124 VanDerWaalsContact C-N 3.34Å; V122-K124 PolarHBondContact O-N 3.35Å; V122-E125 PolarHBondContact O-N 3.25Å; V122-I126 HydrophobicContact CG1-CD1 3.86Å; V122-I126 HydrophobicContact CG1-CG1 4.35Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.4Å; V122-I126 PolarHBondContact O-N 3.41Å
123R98.5Very high98.4Very high185 Ų185105.9 Ų105.970%0.69852%0.515SS*.Hα-helixtrans-61.4-40.9176.1-176.2-177-65-131.2-0.3112.3L119 I121 G127L119-R123 WeakPolarHBondContact O-CB 3.21Å; L119-R123 PolarHBondContact O-N 3.28Å; I121-R123 VanDerWaalsContact C-N 3.27Å; I121-R123 PolarHBondContact O-N 3.36Å; R123-G127 PolarHBondContact O-N 2.92Å; R123-G127 VanDerWaalsContact O-N 3.09Å
124K98.5Very high98.4Very high147 Ų147105.7 Ų105.764%0.63952%0.519SS*.Hα-helixtrans-65.9-45.4175.9-72.8172.2-176.8176.60111.1D120 I121 V122 I126 G127 E128D120-K124 WeakPolarHBondContact O-CG 3.5Å; D120-K124 PolarHBondContact O-N 2.93Å; D120-K124 VanDerWaalsContact O-N 3.15Å; I121-K124 WeakPolarHBondContact O-CB 3.26Å; I121-K124 PolarHBondContact O-N 3.3Å; I121-K124 VanDerWaalsContact O-N 3.08Å; V122-K124 VanDerWaalsContact C-N 3.34Å; V122-K124 PolarHBondContact O-N 3.35Å; K124-I126 VanDerWaalsContact C-N 3.34Å; K124-I126 PolarHBondContact O-N 3.33Å; K124-G127 PolarHBondContact O-N 3.02Å; K124-G127 VanDerWaalsContact O-N 3.13Å; K124-E128 WeakPolarHBondContact O-CG 3.4Å; K124-E128 PolarHBondContact O-N 3.5Å
125E98.6Very high98.4Very high104 Ų104103.2 Ų103.249%0.48652%0.518SS..Hα-helixtrans-59.6-43.6177-69.5-179.7177.500111.9I121 V122 G127 E128 K129I121-E125 PolarHBondContact O-N 3.13Å; V122-E125 PolarHBondContact O-N 3.25Å; E125-G127 VanDerWaalsContact C-N 3.34Å; E125-G127 PolarHBondContact O-N 3.48Å; E125-E128 PolarHBondContact O-N 3.38Å; E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.27Å
126I98.5Very high98.5Very high92 Ų92101.9 Ų101.947%0.47251%0.514SS..Hα-helixtrans-58.6-46.8174.3-70.9168.9000110.4V122 K124 E128 K129 D130V122-I126 HydrophobicContact CG1-CD1 3.86Å; V122-I126 HydrophobicContact CG1-CG1 4.35Å; V122-I126 VanDerWaalsContact O-CG1 3.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.4Å; V122-I126 PolarHBondContact O-N 3.41Å; K124-I126 VanDerWaalsContact C-N 3.34Å; K124-I126 PolarHBondContact O-N 3.33Å; I126-E128 PolarHBondContact O-N 2.9Å; I126-K129 PolarHBondContact O-N 3.23Å; I126-D130 WeakPolarHBondContact O-CB 3.3Å; I126-D130 PolarHBondContact O-N 3.47Å
127G98.2Very high98.5Very high39 Ų39105.5 Ų105.540%0.40253%0.525SS..Hα-helixtrans-60.1-41178.200000113.7R123 K124 E125 D130 M131R123-G127 PolarHBondContact O-N 2.92Å; R123-G127 VanDerWaalsContact O-N 3.09Å; K124-G127 PolarHBondContact O-N 3.02Å; K124-G127 VanDerWaalsContact O-N 3.13Å; E125-G127 VanDerWaalsContact C-N 3.34Å; E125-G127 PolarHBondContact O-N 3.48Å; G127-D130 PolarHBondContact O-N 2.84Å; G127-M131 PolarHBondContact O-N 3.36Å
128E98.2Very high98.5Very high136 Ų136106.4 Ų106.464%0.63653%0.529SS*.Hα-helixtrans-64.2-43.2175.4-70.9177-176.900111.8K124 E125 I126 M131 L132K124-E128 WeakPolarHBondContact O-CG 3.4Å; K124-E128 PolarHBondContact O-N 3.5Å; E125-E128 PolarHBondContact O-N 3.38Å; I126-E128 PolarHBondContact O-N 2.9Å; E128-M131 PolarHBondContact O-N 3.39Å; E128-L132 PolarHBondContact O-N 2.88Å
129K98.2Very high98.5Very high138 Ų138107.5 Ų107.560%0.653%0.531SS*.Hα-helixtrans-67.2-38.4178-63.6-74.6174.9153.80111.6E125 I126 L132 C133E125-K129 WeakPolarHBondContact O-CG 3.5Å; E125-K129 PolarHBondContact O-N 3.27Å; I126-K129 PolarHBondContact O-N 3.23Å; K129-L132 PolarHBondContact O-N 3.04Å; K129-C133 WeakPolarHBondContact O-CB 3.37Å; K129-C133 PolarHBondContact O-N 3.3Å; K129-C133 PolarHBondContact O-SG 3.44Å; K129-C133 VanDerWaalsContact O-SG 3.34Å
130D98.6Very high98.5Very high94 Ų94107.4 Ų107.450%0.50353%0.529SS..Hα-helixtrans-65.3-39.2176.1-79.3-18.8000112.1I126 G127 C133 S134I126-D130 WeakPolarHBondContact O-CB 3.3Å; I126-D130 PolarHBondContact O-N 3.47Å; G127-D130 PolarHBondContact O-N 2.84Å; D130-C133 PolarHBondContact O-N 3.43Å; D130-S134 WeakPolarHBondContact O-CB 3.45Å; D130-S134 PolarHBondContact O-N 2.91Å; D130-S134 PolarHBondContact O-OG 3.25Å
131M98.3Very high98.5Very high129 Ų129110.5 Ų110.564%0.63554%0.539SS*.Hα-helixtrans-61.9-46.6172.7-174.562.270.500110.9G127 E128 S134 V135G127-M131 PolarHBondContact O-N 3.36Å; E128-M131 PolarHBondContact O-N 3.39Å; M131-S134 WeakPolarHBondContact O-CB 3.34Å; M131-S134 PolarHBondContact O-N 3.41Å; M131-V135 WeakPolarHBondContact O-CG2 3.49Å; M131-V135 PolarHBondContact O-N 3.45Å
132L98.5Very high98.5Very high98 Ų98112.9 Ų112.951%0.51354%0.543SS..Hα-helixtrans-60.9-46.8177179.462.1000111.8E128 K129 S134 V135 L136E128-L132 PolarHBondContact O-N 2.88Å; K129-L132 PolarHBondContact O-N 3.04Å; L132-S134 VanDerWaalsContact C-N 3.27Å; L132-S134 PolarHBondContact O-N 3.48Å; L132-V135 PolarHBondContact O-N 2.91Å; L132-L136 HydrophobicContact CD1-CD1 4.32Å; L132-L136 HydrophobicContact CD1-CG 4.33Å; L132-L136 HydrophobicContact CG-CD1 4.08Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 3.4Å
133C98.3Very high98.5Very high56 Ų56114.1 Ų114.138%0.37855%0.546SS..Hα-helixtrans-57.6-41.1174.8-77.10000111.7K129 D130 L136 R137K129-C133 WeakPolarHBondContact O-CB 3.37Å; K129-C133 PolarHBondContact O-N 3.3Å; K129-C133 PolarHBondContact O-SG 3.44Å; K129-C133 VanDerWaalsContact O-SG 3.34Å; D130-C133 PolarHBondContact O-N 3.43Å; C133-L136 PolarHBondContact O-N 3.48Å; C133-R137 WeakPolarHBondContact O-CB 3.42Å; C133-R137 VanDerWaalsContact O-CG 3.26Å; C133-R137 WeakPolarHBondContact O-CG 3.45Å; C133-R137 PolarHBondContact O-N 3.23Å
134S98.6Very high98.5Very high59 Ų59110.6 Ų110.641%0.41354%0.538SS..Hα-helixtrans-63.8-41.1177.5-63.30000112.2D130 M131 L132 K138D130-S134 WeakPolarHBondContact O-CB 3.45Å; D130-S134 PolarHBondContact O-N 2.91Å; D130-S134 PolarHBondContact O-OG 3.25Å; M131-S134 WeakPolarHBondContact O-CB 3.34Å; M131-S134 PolarHBondContact O-N 3.41Å; L132-S134 VanDerWaalsContact C-N 3.27Å; L132-S134 PolarHBondContact O-N 3.48Å; S134-K138 WeakPolarHBondContact O-CG 3.3Å; S134-K138 PolarHBondContact O-N 2.93Å
135V98.6Very high98.5Very high77 Ų77107.5 Ų107.547%0.46753%0.528SS..Hα-helixtrans-65.4-47.8175173.60000110.9M131 L132 R137 K138 Q139M131-V135 WeakPolarHBondContact O-CG2 3.49Å; M131-V135 PolarHBondContact O-N 3.45Å; L132-V135 PolarHBondContact O-N 2.91Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 2.87Å; V135-K138 WeakPolarHBondContact O-CB 3.36Å; V135-K138 PolarHBondContact O-N 3.25Å; V135-K138 VanDerWaalsContact O-N 3.15Å; V135-Q139 PolarHBondContact O-N 3.43Å
136L98.6Very high98.5Very high84 Ų84105.9 Ų105.944%0.4452%0.52SS..Hα-helixtrans-60.8-42179.4-71.5173.2000111.9L132 C133 K138 Q139 M140L132-L136 HydrophobicContact CD1-CD1 4.32Å; L132-L136 HydrophobicContact CD1-CG 4.33Å; L132-L136 HydrophobicContact CG-CD1 4.08Å; L132-L136 WeakPolarHBondContact O-CG 3.38Å; L132-L136 PolarHBondContact O-N 3.4Å; C133-L136 PolarHBondContact O-N 3.48Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 3.47Å; L136-Q139 PolarHBondContact O-N 3.41Å; L136-M140 WeakPolarHBondContact O-CG 3.38Å; L136-M140 PolarHBondContact O-N 2.9Å
137R98.6Very high98.4Very high185 Ų185108.3 Ų108.370%0.69853%0.53SS*.Hα-helixtrans-60.3-41.3174.7-73.8177.2-167-169.36.5112.4C133 V135 Q139 M140 K141C133-R137 WeakPolarHBondContact O-CB 3.42Å; C133-R137 VanDerWaalsContact O-CG 3.26Å; C133-R137 WeakPolarHBondContact O-CG 3.45Å; C133-R137 PolarHBondContact O-N 3.23Å; V135-R137 VanDerWaalsContact C-N 3.34Å; V135-R137 PolarHBondContact O-N 2.87Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; R137-M140 PolarHBondContact O-N 2.97Å; R137-K141 PolarHBondContact O-N 3.07Å
138K98.5Very high98.5Very high160 Ų160110.1 Ų110.170%0.69654%0.536SS*.Hα-helixtrans-63.5-41.5175.2-73.1176.1-178.6178.60111.5S134 V135 L136 K141 Y142S134-K138 WeakPolarHBondContact O-CG 3.3Å; S134-K138 PolarHBondContact O-N 2.93Å; V135-K138 WeakPolarHBondContact O-CB 3.36Å; V135-K138 PolarHBondContact O-N 3.25Å; V135-K138 VanDerWaalsContact O-N 3.15Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 3.47Å; K138-K141 PolarHBondContact O-N 3.45Å; K138-Y142 PolarHBondContact O-N 3Å
139Q98.6Very high98.5Very high108 Ų108108.3 Ų108.351%0.50553%0.528SS..Hα-helixtrans-65.5-43176.8-173.1176.2-0.500111.9V135 L136 R137 K141 Y142 L143V135-Q139 PolarHBondContact O-N 3.43Å; L136-Q139 PolarHBondContact O-N 3.41Å; R137-Q139 VanDerWaalsContact C-N 3.34Å; Q139-K141 PolarHBondContact O-N 3.36Å; Q139-Y142 PolarHBondContact O-N 2.98Å; Q139-L143 HydrophobicContact CG-CD1 4.34Å; Q139-L143 WeakPolarHBondContact O-CG 3.28Å; Q139-L143 PolarHBondContact O-N 3.13Å
140M98.2Very high98.5Very high114 Ų114105 Ų10556%0.56252%0.519SS*.Hα-helixtrans-58.1-49174.6-72.8-177.970.400111.1L136 R137 Y142 L143 E144L136-M140 WeakPolarHBondContact O-CG 3.38Å; L136-M140 PolarHBondContact O-N 2.9Å; R137-M140 PolarHBondContact O-N 2.97Å; M140-Y142 VanDerWaalsContact C-N 3.3Å; M140-Y142 PolarHBondContact O-N 3.45Å; M140-L143 PolarHBondContact O-N 3.08Å; M140-L143 VanDerWaalsContact O-N 3.13Å; M140-E144 WeakPolarHBondContact O-CG 3.33Å; M140-E144 PolarHBondContact O-N 3.49Å
141K98.6Very high98.5Very high154 Ų154106.1 Ų106.167%0.6752%0.521SS*.Hα-helixtrans-60-39.2177.7-173.2173.6-176.7175.50112.8R137 K138 Q139 N145R137-K141 PolarHBondContact O-N 3.07Å; K138-K141 PolarHBondContact O-N 3.45Å; Q139-K141 PolarHBondContact O-N 3.36Å; K141-N145 WeakPolarHBondContact O-CB 3.33Å; K141-N145 PolarHBondContact O-N 2.94Å
142Y98.6Very high98.5Very high140 Ų140102.9 Ų102.955%0.54952%0.515SS..Hα-helixtrans-62.8-46.2175171.6-100.5000111.6K138 Q139 M140 N145 Q146K138-Y142 PolarHBondContact O-N 3Å; Q139-Y142 PolarHBondContact O-N 2.98Å; M140-Y142 VanDerWaalsContact C-N 3.3Å; M140-Y142 PolarHBondContact O-N 3.45Å; Y142-N145 PolarHBondContact O-N 3.18Å; Y142-Q146 HydrophobicContact CD1-CG 4.37Å; Y142-Q146 HydrophobicContact CD2-CG 4.43Å; Y142-Q146 HydrophobicContact CE1-CG 3.89Å; Y142-Q146 HydrophobicContact CE2-CG 3.94Å; Y142-Q146 WeakPolarHBondContact O-CG 3.4Å; Y142-Q146 PolarHBondContact O-N 2.92Å
143L98.6Very high98.4Very high97 Ų97101.1 Ų101.151%0.50852%0.515SS..Hα-helixtrans-65.4-40.6178.7-69.3174.2000112.3Q139 M140 N145 Q146 Q147Q139-L143 HydrophobicContact CG-CD1 4.34Å; Q139-L143 WeakPolarHBondContact O-CG 3.28Å; Q139-L143 PolarHBondContact O-N 3.13Å; M140-L143 PolarHBondContact O-N 3.08Å; M140-L143 VanDerWaalsContact O-N 3.13Å; L143-N145 VanDerWaalsContact C-N 3.34Å; L143-N145 PolarHBondContact O-N 3.03Å; L143-Q146 PolarHBondContact O-N 2.91Å; L143-Q147 WeakPolarHBondContact O-CB 3.25Å; L143-Q147 PolarHBondContact O-N 3.3Å
144E98.6Very high98.5Very high112 Ų112104.3 Ų104.352%0.52352%0.523SS..Hα-helixtrans-59.3-44.7173.6-74.7169.8176.200111.4M140 Q147 S148M140-E144 WeakPolarHBondContact O-CG 3.33Å; M140-E144 PolarHBondContact O-N 3.49Å; E144-Q147 PolarHBondContact O-N 3.28Å; E144-S148 PolarHBondContact O-N 3.05Å
145N98.4Very high98.4Very high81 Ų81105.9 Ų105.943%0.43352%0.523SS..Hα-helixtrans-63.8-44.6177-171.479.5000111.7K141 Y142 L143 Q147 S148 E149K141-N145 WeakPolarHBondContact O-CB 3.33Å; K141-N145 PolarHBondContact O-N 2.94Å; Y142-N145 PolarHBondContact O-N 3.18Å; L143-N145 VanDerWaalsContact C-N 3.34Å; L143-N145 PolarHBondContact O-N 3.03Å; N145-Q147 VanDerWaalsContact C-N 3.32Å; N145-Q147 PolarHBondContact O-N 2.91Å; N145-S148 WeakPolarHBondContact O-CB 3.48Å; N145-S148 PolarHBondContact O-N 3.33Å; N145-E149 PolarHBondContact ND2-OE1 3.24Å; N145-E149 WeakPolarHBondContact O-CG 3.42Å; N145-E149 PolarHBondContact O-N 3.17Å
146Q98.3Very high98.4Very high70 Ų70106.1 Ų106.133%0.32752%0.519SS..Hα-helixtrans-61.2-38.9175.3-74.2-62.8-6100112.5Y142 L143 E149 T150Y142-Q146 HydrophobicContact CD1-CG 4.37Å; Y142-Q146 HydrophobicContact CD2-CG 4.43Å; Y142-Q146 HydrophobicContact CE1-CG 3.89Å; Y142-Q146 HydrophobicContact CE2-CG 3.94Å; Y142-Q146 WeakPolarHBondContact O-CG 3.4Å; Y142-Q146 PolarHBondContact O-N 2.92Å; L143-Q146 PolarHBondContact O-N 2.91Å; Q146-E149 PolarHBondContact NE2-OE2 3.43Å; Q146-T150 WeakPolarHBondContact O-CB 3.46Å; Q146-T150 PolarHBondContact O-N 3.15Å; Q146-T150 PolarHBondContact O-OG1 3.49Å
147Q98.3Very high98.4Very high143 Ų143103.7 Ų103.767%0.66851%0.511SS*.Hα-helixtrans-64.8-43.9175.6-176.61799.400111.4L143 E144 N145 T150 Q151L143-Q147 WeakPolarHBondContact O-CB 3.25Å; L143-Q147 PolarHBondContact O-N 3.3Å; E144-Q147 PolarHBondContact O-N 3.28Å; N145-Q147 VanDerWaalsContact C-N 3.32Å; N145-Q147 PolarHBondContact O-N 2.91Å; Q147-T150 PolarHBondContact O-N 3.24Å; Q147-Q151 WeakPolarHBondContact O-CB 3.35Å; Q147-Q151 PolarHBondContact O-N 3.37Å
148S98.4Very high98.4Very high77 Ų77101 Ų10154%0.53850%0.501SS..Hα-helixtrans-61-48.6176.9-174.70000112E144 N145 T150 Q151 A152E144-S148 PolarHBondContact O-N 3.05Å; N145-S148 WeakPolarHBondContact O-CB 3.48Å; N145-S148 PolarHBondContact O-N 3.33Å; S148-T150 VanDerWaalsContact C-N 3.34Å; S148-T150 PolarHBondContact O-N 3.16Å; S148-Q151 PolarHBondContact O-N 3.35Å; S148-Q151 VanDerWaalsContact O-N 3.15Å; S148-A152 PolarHBondContact O-N 3.08Å
149E98.6Very high98.4Very high98 Ų9897.5 Ų97.546%0.45848%0.484SS..Hα-helixtrans-59-44.7175.9-73.8172.4-174.900111.7N145 Q146 Q151 A152 A153N145-E149 PolarHBondContact ND2-OE1 3.24Å; N145-E149 WeakPolarHBondContact O-CG 3.42Å; N145-E149 PolarHBondContact O-N 3.17Å; Q146-E149 PolarHBondContact NE2-OE2 3.43Å; E149-Q151 VanDerWaalsContact C-N 3.3Å; E149-Q151 PolarHBondContact O-N 3.44Å; E149-A152 PolarHBondContact O-N 3.08Å; E149-A153 WeakPolarHBondContact O-CB 3.11Å; E149-A153 PolarHBondContact O-N 3.03Å
150T98.3Very high98.3Very high68 Ų6896.6 Ų96.642%0.41748%0.482SS..Hα-helixtrans-61.9-39.7176.8-59.90000111.4Q146 Q147 S148 K154Q146-T150 WeakPolarHBondContact O-CB 3.46Å; Q146-T150 PolarHBondContact O-N 3.15Å; Q146-T150 PolarHBondContact O-OG1 3.49Å; Q147-T150 PolarHBondContact O-N 3.24Å; S148-T150 VanDerWaalsContact C-N 3.34Å; S148-T150 PolarHBondContact O-N 3.16Å; T150-K154 HydrophobicContact CG2-CD 4.36Å; T150-K154 WeakPolarHBondContact O-CB 3.47Å; T150-K154 VanDerWaalsContact O-CG 3.3Å; T150-K154 WeakPolarHBondContact O-CG 3.47Å; T150-K154 PolarHBondContact O-N 3.27Å
151Q98.5Very high98.3Very high118 Ų11898.6 Ų98.655%0.55148%0.483SS*.Hα-helixtrans-68.8-42.4179-171.164.48.300111.7Q147 S148 E149 K154 E155Q147-Q151 WeakPolarHBondContact O-CB 3.35Å; Q147-Q151 PolarHBondContact O-N 3.37Å; S148-Q151 PolarHBondContact O-N 3.35Å; S148-Q151 VanDerWaalsContact O-N 3.15Å; E149-Q151 VanDerWaalsContact C-N 3.3Å; E149-Q151 PolarHBondContact O-N 3.44Å; Q151-K154 PolarHBondContact O-N 2.99Å; Q151-E155 PolarHBondContact O-N 3.49Å
152A98.4Very high98.2Very high61 Ų6195 Ų9550%0.50447%0.474SS..Hα-helixtrans-61.1-44.8174.600000111.6S148 E149 K154 E155 E156S148-A152 PolarHBondContact O-N 3.08Å; E149-A152 PolarHBondContact O-N 3.08Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.49Å; A152-E155 PolarHBondContact O-N 3.39Å; A152-E156 WeakPolarHBondContact O-CB 3.37Å; A152-E156 PolarHBondContact O-N 3.45Å
153A97.9Very high98Very high62 Ų6293.2 Ų93.251%0.51247%0.469SS..Hα-helixtrans-62.4-39.6176.300000112.4E149 A157E149-A153 WeakPolarHBondContact O-CB 3.11Å; E149-A153 PolarHBondContact O-N 3.03Å; A153-A157 VanDerWaalsContact O-CB 3.3Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 2.9Å
154K98.4Very high97.8Very high123 Ų12394 Ų9454%0.53547%0.471SS..Hα-helixtrans-63.3-42.7175.4-79.3175.1-179.7177.50112.2T150 Q151 A152 A157 R158T150-K154 HydrophobicContact CG2-CD 4.36Å; T150-K154 WeakPolarHBondContact O-CB 3.47Å; T150-K154 VanDerWaalsContact O-CG 3.3Å; T150-K154 WeakPolarHBondContact O-CG 3.47Å; T150-K154 PolarHBondContact O-N 3.27Å; Q151-K154 PolarHBondContact O-N 2.99Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.49Å; K154-A157 PolarHBondContact O-N 2.92Å; K154-R158 WeakPolarHBondContact O-CB 3.4Å; K154-R158 PolarHBondContact O-N 3.46Å
155E98.4Very high97.5Very high91 Ų9195.4 Ų95.443%0.42548%0.476SS..Hα-helixtrans-67.4-42.1179.3-177.654.8-16000111.5Q151 A152 A157 R158 R159Q151-E155 PolarHBondContact O-N 3.49Å; A152-E155 PolarHBondContact O-N 3.39Å; E155-A157 PolarHBondContact O-N 3.4Å; E155-R158 WeakPolarHBondContact O-CB 3.29Å; E155-R158 PolarHBondContact O-N 3.38Å; E155-R158 IonicContact OE1-CZ 2.75Å; E155-R158 IonicContact OE1-NE 3.37Å; E155-R158 PolarHBondContact OE1-NE 3.26Å; E155-R158 IonicContact OE1-NH2 3.41Å; E155-R158 PolarHBondContact OE1-NH2 2.88Å; E155-R158 IonicContact OE2-CZ 3.68Å; E155-R158 IonicContact OE2-NE 3.72Å; E155-R158 PolarHBondContact OE2-NE 2.84Å; E155-R158 IonicContact OE2-NH2 3.38Å; E155-R159 WeakPolarHBondContact O-CB 3.42Å; E155-R159 PolarHBondContact O-N 3.32Å
156E98.1Very high97Very high82 Ų8294 Ų9438%0.38347%0.47SS..Hα-helixtrans-63.3-42.8174.5-179.957.3-163.900111.8A152 R158 R159 L160A152-E156 WeakPolarHBondContact O-CB 3.37Å; A152-E156 PolarHBondContact O-N 3.45Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.41Å; E156-R159 WeakPolarHBondContact O-CB 3.45Å; E156-R159 PolarHBondContact O-N 3.38Å; E156-R159 IonicContact OE1-CZ 2.9Å; E156-R159 IonicContact OE1-NE 2.65Å; E156-R159 PolarHBondContact OE1-NE 3.29Å; E156-R159 IonicContact OE1-NH2 2.63Å; E156-R159 PolarHBondContact OE1-NH2 3.04Å; E156-R159 IonicContact OE2-CZ 2.88Å; E156-R159 IonicContact OE2-NE 3.71Å; E156-R159 PolarHBondContact OE2-NE 2.86Å; E156-R159 IonicContact OE2-NH2 3.16Å; E156-R159 PolarHBondContact OE2-NH2 3.4Å; E156-L160 HydrophobicContact CG-CD1 4.22Å; E156-L160 WeakPolarHBondContact O-CB 3.2Å; E156-L160 WeakPolarHBondContact O-CG 3.18Å; E156-L160 PolarHBondContact O-N 3.05Å
157A98Very high96.2Very high33 Ų3398.1 Ų98.127%0.27348%0.484SS..Hα-helixtrans-62.5-37174.600000112A153 K154 E155 R161A153-A157 VanDerWaalsContact O-CB 3.3Å; A153-A157 WeakPolarHBondContact O-CB 3.45Å; A153-A157 PolarHBondContact O-N 2.9Å; K154-A157 PolarHBondContact O-N 2.92Å; E155-A157 PolarHBondContact O-N 3.4Å; A157-R161 WeakPolarHBondContact O-CB 3.39Å; A157-R161 WeakPolarHBondContact O-CG 3.49Å; A157-R161 PolarHBondContact O-N 3.32Å
158R98.4Very high95.6Very high128 Ų12896.2 Ų96.248%0.48348%0.475SS..Hα-helixtrans-63.7-47.7173.8-171.1-170.772.979.7-1.4110.6K154 E155 E156 L160 R161 T162K154-R158 WeakPolarHBondContact O-CB 3.4Å; K154-R158 PolarHBondContact O-N 3.46Å; E155-R158 WeakPolarHBondContact O-CB 3.29Å; E155-R158 PolarHBondContact O-N 3.38Å; E155-R158 IonicContact OE1-CZ 2.75Å; E155-R158 IonicContact OE1-NE 3.37Å; E155-R158 PolarHBondContact OE1-NE 3.26Å; E155-R158 IonicContact OE1-NH2 3.41Å; E155-R158 PolarHBondContact OE1-NH2 2.88Å; E155-R158 IonicContact OE2-CZ 3.68Å; E155-R158 IonicContact OE2-NE 3.72Å; E155-R158 PolarHBondContact OE2-NE 2.84Å; E155-R158 IonicContact OE2-NH2 3.38Å; E156-R158 VanDerWaalsContact C-N 3.29Å; E156-R158 PolarHBondContact O-N 3.41Å; R158-L160 PolarHBondContact O-N 2.96Å; R158-R161 PolarHBondContact O-N 3.45Å; R158-T162 PolarHBondContact O-N 3.25Å; R158-T162 PolarHBondContact O-OG1 3.44Å
159R98.3Very high94.8Very high88 Ų8894.3 Ų94.333%0.33246%0.462SS..Hα-helixtrans-59.1-44.9177.8-167.9-166.667.569.6-9.5112.1E155 E156 T162 K163E155-R159 WeakPolarHBondContact O-CB 3.42Å; E155-R159 PolarHBondContact O-N 3.32Å; E156-R159 WeakPolarHBondContact O-CB 3.45Å; E156-R159 PolarHBondContact O-N 3.38Å; E156-R159 IonicContact OE1-CZ 2.9Å; E156-R159 IonicContact OE1-NE 2.65Å; E156-R159 PolarHBondContact OE1-NE 3.29Å; E156-R159 IonicContact OE1-NH2 2.63Å; E156-R159 PolarHBondContact OE1-NH2 3.04Å; E156-R159 IonicContact OE2-CZ 2.88Å; E156-R159 IonicContact OE2-NE 3.71Å; E156-R159 PolarHBondContact OE2-NE 2.86Å; E156-R159 IonicContact OE2-NH2 3.16Å; E156-R159 PolarHBondContact OE2-NH2 3.4Å; R159-T162 PolarHBondContact O-N 3.27Å; R159-K163 VanDerWaalsContact NH1-CD 3.3Å; R159-K163 PolarHBondContact O-N 3.33Å; R159-K163 VanDerWaalsContact O-N 3.11Å
160L97.9Very high93.9Very high89 Ų8992 Ų9247%0.46645%0.452SS..Hα-helixtrans-66.1-41.1177.9-71.8174000111.9E156 R158 T162 K163 M164E156-L160 HydrophobicContact CG-CD1 4.22Å; E156-L160 WeakPolarHBondContact O-CB 3.2Å; E156-L160 WeakPolarHBondContact O-CG 3.18Å; E156-L160 PolarHBondContact O-N 3.05Å; R158-L160 PolarHBondContact O-N 2.96Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.19Å; L160-K163 PolarHBondContact O-N 3.05Å; L160-M164 WeakPolarHBondContact O-CB 3.39Å; L160-M164 PolarHBondContact O-N 2.89Å
161R97.4Very high92.8Very high155 Ų15592.5 Ų92.559%0.58545%0.452SS*.Hα-helixtrans-59.6-41.9174-78.9-173.5-67.1-89.2-0.5112.4A157 R158 M164 K165A157-R161 WeakPolarHBondContact O-CB 3.39Å; A157-R161 WeakPolarHBondContact O-CG 3.49Å; A157-R161 PolarHBondContact O-N 3.32Å; R158-R161 PolarHBondContact O-N 3.45Å; R161-M164 PolarHBondContact O-N 3.12Å; R161-K165 PolarHBondContact O-N 2.96Å
162T95.8Very high91.9Very high78 Ų7890.2 Ų90.248%0.47945%0.446SS..Hα-helixtrans-62.1-44.8175.3-57.60000111.6R158 R159 L160 K165 T166R158-T162 PolarHBondContact O-N 3.25Å; R158-T162 PolarHBondContact O-OG1 3.44Å; R159-T162 PolarHBondContact O-N 3.27Å; L160-T162 VanDerWaalsContact C-N 3.33Å; L160-T162 PolarHBondContact O-N 3.19Å; T162-K165 PolarHBondContact O-N 3.17Å; T162-T166 PolarHBondContact O-N 3.05Å; T162-T166 VanDerWaalsContact O-N 3.15Å
163K94.3Very high90.8Very high103 Ų10388.4 Ų88.445%0.44843%0.429SS..Hα-helixtrans-63.7-41175.9-74.9-167.3175.2177.10112.8R159 L160 K165 T166 Y167R159-K163 VanDerWaalsContact NH1-CD 3.3Å; R159-K163 PolarHBondContact O-N 3.33Å; R159-K163 VanDerWaalsContact O-N 3.11Å; L160-K163 PolarHBondContact O-N 3.05Å; K163-K165 VanDerWaalsContact C-N 3.31Å; K163-K165 PolarHBondContact O-N 2.99Å; K163-T166 WeakPolarHBondContact CA-OG1 3.41Å; K163-T166 PolarHBondContact O-N 3.46Å; K163-T166 VanDerWaalsContact O-N 3.16Å; K163-T166 PolarHBondContact O-OG1 3.05Å; K163-Y167 HydrophobicContact CB-CE2 4.34Å; K163-Y167 WeakPolarHBondContact O-CD2 3.33Å; K163-Y167 PolarHBondContact O-N 3.2Å
164M94.6Very high89.5Confident113 Ų11391 Ų9156%0.55743%0.433SS*.Hα-helixtrans-58.3-46176.6-176.5169.3171.900110.8L160 R161 T166 Y167 E168L160-M164 WeakPolarHBondContact O-CB 3.39Å; L160-M164 PolarHBondContact O-N 2.89Å; R161-M164 PolarHBondContact O-N 3.12Å; M164-T166 VanDerWaalsContact C-N 3.31Å; M164-T166 PolarHBondContact O-N 3.3Å; M164-Y167 PolarHBondContact O-N 3.41Å; M164-Y167 VanDerWaalsContact O-N 3.08Å; M164-E168 VanDerWaalsContact CE-OE1 3.25Å; M164-E168 WeakPolarHBondContact CE-OE1 3.47Å; M164-E168 WeakPolarHBondContact O-CG 3.47Å; M164-E168 PolarHBondContact O-N 2.98Å
165K93.2Very high88.2Confident143 Ų14391.8 Ų91.862%0.62244%0.439SS*.Hα-helixtrans-58.5-40175.2-168175.4-179-178.30112.8R161 T162 K163 Y167 E168 S169R161-K165 PolarHBondContact O-N 2.96Å; T162-K165 PolarHBondContact O-N 3.17Å; K163-K165 VanDerWaalsContact C-N 3.31Å; K163-K165 PolarHBondContact O-N 2.99Å; K165-Y167 VanDerWaalsContact C-N 3.35Å; K165-Y167 PolarHBondContact O-N 2.88Å; K165-E168 PolarHBondContact O-N 3.2Å; K165-S169 PolarHBondContact O-N 3.36Å; K165-S169 PolarHBondContact O-OG 3.47Å
166T87.9Confident86.8Confident51 Ų5188.4 Ų88.431%0.31343%0.428SS..Hα-helixtrans-66.2-35.717657.10000113T162 K163 M164 L170T162-T166 PolarHBondContact O-N 3.05Å; T162-T166 VanDerWaalsContact O-N 3.15Å; K163-T166 WeakPolarHBondContact CA-OG1 3.41Å; K163-T166 PolarHBondContact O-N 3.46Å; K163-T166 VanDerWaalsContact O-N 3.16Å; K163-T166 PolarHBondContact O-OG1 3.05Å; M164-T166 VanDerWaalsContact C-N 3.31Å; M164-T166 PolarHBondContact O-N 3.3Å; T166-L170 PolarHBondContact O-N 2.65Å; T166-L170 VanDerWaalsContact O-N 3.08Å
167Y81.4Confident85.3Confident156 Ų15691.9 Ų91.961%0.61245%0.445SS*.Hα-helixtrans-70.9-38.4175.3-71.2-58.2000111.9K163 M164 K165 L170 D171K163-Y167 HydrophobicContact CB-CE2 4.34Å; K163-Y167 WeakPolarHBondContact O-CD2 3.33Å; K163-Y167 PolarHBondContact O-N 3.2Å; M164-Y167 PolarHBondContact O-N 3.41Å; M164-Y167 VanDerWaalsContact O-N 3.08Å; K165-Y167 VanDerWaalsContact C-N 3.35Å; K165-Y167 PolarHBondContact O-N 2.88Å; Y167-L170 HydrophobicContact CD1-CD1 4.31Å; Y167-L170 PolarHBondContact O-N 3.38Å; Y167-D171 WeakPolarHBondContact O-CB 3.43Å; Y167-D171 PolarHBondContact O-N 3Å
168E86.1Confident83.6Confident104 Ų10499.9 Ų99.949%0.48647%0.468SS..Hα-helixtrans-59.9-44.7173.1-70.9168.2170.500111.2M164 K165 L170 D171 V172M164-E168 VanDerWaalsContact CE-OE1 3.25Å; M164-E168 WeakPolarHBondContact CE-OE1 3.47Å; M164-E168 WeakPolarHBondContact O-CG 3.47Å; M164-E168 PolarHBondContact O-N 2.98Å; K165-E168 PolarHBondContact O-N 3.2Å; E168-L170 PolarHBondContact O-N 2.92Å; E168-D171 PolarHBondContact O-N 2.91Å; E168-V172 PolarHBondContact O-N 2.96Å
169S80.4Confident82.3Confident36 Ų3697.1 Ų97.125%0.25247%0.472SS..Hα-helixtrans-60.8-44.8173.9-60.90000112.2K165 D171 V172 V173 M184 Y201K165-S169 PolarHBondContact O-N 3.36Å; K165-S169 PolarHBondContact O-OG 3.47Å; S169-D171 VanDerWaalsContact C-N 3.32Å; S169-D171 PolarHBondContact O-N 3.47Å; S169-V172 PolarHBondContact O-N 3.42Å; S169-V173 PolarHBondContact O-N 2.98Å; S169-M184 WeakPolarHBondContact O-CE 3.48Å; S169-Y201 WeakPolarHBondContact CB-OH 3.38Å
170L80Confident81Confident50 Ų5097.9 Ų97.926%0.26248%0.479SS..Hα-helixtrans-60.5-40.4177.1-84.3167.2000112.8T166 Y167 E168 V172 V173 L174 Y201T166-L170 PolarHBondContact O-N 2.65Å; T166-L170 VanDerWaalsContact O-N 3.08Å; Y167-L170 HydrophobicContact CD1-CD1 4.31Å; Y167-L170 PolarHBondContact O-N 3.38Å; E168-L170 PolarHBondContact O-N 2.92Å; L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 3.17Å; L170-V173 PolarHBondContact O-N 3.48Å; L170-V173 VanDerWaalsContact O-N 3.13Å; L170-L174 WeakPolarHBondContact O-CG 3.28Å; L170-L174 PolarHBondContact O-N 3.42Å; L170-Y201 HydrophobicContact CD1-CE1 4.49Å; L170-Y201 HydrophobicContact CD2-CD1 3.27Å; L170-Y201 HydrophobicContact CD2-CE1 3.2Å; L170-Y201 HydrophobicContact CD2-CG 4.25Å; L170-Y201 HydrophobicContact CG-CD1 4.17Å; L170-Y201 HydrophobicContact CG-CE1 3.57Å
171D74.6Confident79.8Confident79 Ų7995.3 Ų95.342%0.42247%0.468SS..Hα-helixtrans-62.3-41.7-179.9-168.253.3000111.5Y167 E168 S169 V173 L174 Q175Y167-D171 WeakPolarHBondContact O-CB 3.43Å; Y167-D171 PolarHBondContact O-N 3Å; E168-D171 PolarHBondContact O-N 2.91Å; S169-D171 VanDerWaalsContact C-N 3.32Å; S169-D171 PolarHBondContact O-N 3.47Å; D171-V173 VanDerWaalsContact C-N 3.29Å; D171-V173 PolarHBondContact O-N 2.95Å; D171-L174 PolarHBondContact O-N 2.72Å; D171-Q175 VanDerWaalsContact CG-NE2 3.26Å; D171-Q175 WeakPolarHBondContact O-CB 3.44Å; D171-Q175 WeakPolarHBondContact O-CG 3.2Å; D171-Q175 PolarHBondContact O-N 2.93Å; D171-Q175 PolarHBondContact OD1-NE2 2.96Å; D171-Q175 PolarHBondContact OD2-NE2 3.33Å; D171-Q175 VanDerWaalsContact OD2-NE2 3.14Å
172V79.5Confident78.7Confident70 Ų7092.1 Ų92.142%0.42446%0.459SS..Hα-helixtrans-63.5-32.8174.6178.20000111.6E168 S169 L170 G176 M184E168-V172 PolarHBondContact O-N 2.96Å; S169-V172 PolarHBondContact O-N 3.42Å; L170-V172 VanDerWaalsContact C-N 3.33Å; L170-V172 PolarHBondContact O-N 3.17Å; V172-G176 WeakPolarHBondContact O-CA 3.3Å; V172-G176 PolarHBondContact O-N 3.25Å; V172-M184 HydrophobicContact CB-CE 3.33Å; V172-M184 HydrophobicContact CG1-CE 3.29Å
173V76.9Confident78Confident22 Ų2291.5 Ų91.513%0.13346%0.458CS..Hα-helixtrans-70-42.5176-1800000110.6S169 L170 D171 M184 Y201 L205S169-V173 PolarHBondContact O-N 2.98Å; L170-V173 PolarHBondContact O-N 3.48Å; L170-V173 VanDerWaalsContact O-N 3.13Å; D171-V173 VanDerWaalsContact C-N 3.29Å; D171-V173 PolarHBondContact O-N 2.95Å; V173-M184 HydrophobicContact CB-CE 4.15Å; V173-M184 HydrophobicContact CG2-CE 3.27Å; V173-M184 HydrophobicContact CG2-SD 3.26Å; V173-M184 WeakPolarHBondContact CG2-SD 3.37Å; V173-M184 VanDerWaalsContact N-CE 3.31Å; V173-Y201 HydrophobicContact CG2-CD2 3.91Å; V173-Y201 HydrophobicContact CG2-CE2 3.87Å; V173-L205 HydrophobicContact CG1-CD1 4.33Å
174L69.2Low77.3Confident116 Ų11687.6 Ų87.661%0.60744%0.441SS*.Hα-helixtrans-73.6-36.5-174.5-71.9169000112.7L170 D171 L205L170-L174 WeakPolarHBondContact O-CG 3.28Å; L170-L174 PolarHBondContact O-N 3.42Å; D171-L174 PolarHBondContact O-N 2.72Å; L174-L205 HydrophobicContact CD2-CD2 3.47Å; L174-L205 VanDerWaalsContact CD2-CD2 3.47Å
175Q72.5Confident76.6Confident141 Ų14185.6 Ų85.666%0.65943%0.432SS*.Hα-helixtrans-92.4-17.6179.2-59.8-171.623.100112.7D171D171-Q175 VanDerWaalsContact CG-NE2 3.26Å; D171-Q175 WeakPolarHBondContact O-CB 3.44Å; D171-Q175 WeakPolarHBondContact O-CG 3.2Å; D171-Q175 PolarHBondContact O-N 2.93Å; D171-Q175 PolarHBondContact OD1-NE2 2.96Å; D171-Q175 PolarHBondContact OD2-NE2 3.33Å; D171-Q175 VanDerWaalsContact OD2-NE2 3.14Å
176G68.1Low76.2Confident19 Ų1983 Ų8320%0.19643%0.433CS..  trans-69.4134.9-170.500000114.4V172 E180V172-G176 WeakPolarHBondContact O-CA 3.3Å; V172-G176 PolarHBondContact O-N 3.25Å; G176-E180 WeakPolarHBondContact CA-OE2 3.41Å
177Q65.8Low76Confident156 Ų15687.1 Ų87.173%0.72945%0.452SS*.  trans-68.8161.9158.8-67.5-179.218.100109.7A179 E180 V181Q177-A179 PolarHBondContact O-N 3.4Å; Q177-E180 PolarHBondContact N-OE2 3.11Å; Q177-E180 PolarHBondContact O-N 3.06Å; Q177-V181 PolarHBondContact O-N 3.22Å
178R64Low76Confident201 Ų20181.8 Ų81.876%0.75843%0.434SS*.Hα-helixtrans-45.6-38.6-174.8-167.4-177.5-155-111.311.4113.8E182R178-E182 IonicContact CZ-OE1 3.72Å; R178-E182 IonicContact NE-OE1 3.77Å; R178-E182 IonicContact NH1-OE1 3.2Å; R178-E182 PolarHBondContact NH1-OE1 2.94Å; R178-E182 WeakPolarHBondContact O-CB 3.4Å; R178-E182 VanDerWaalsContact O-CG 3.26Å; R178-E182 WeakPolarHBondContact O-CG 3.3Å; R178-E182 PolarHBondContact O-N 2.64Å
179A69.4Low75.7Confident69 Ų6978.7 Ų78.757%0.5743%0.429SS*.Hα-helixtrans-68.3-34.4179.100000114.3Q177 S183Q177-A179 PolarHBondContact O-N 3.4Å; A179-S183 PolarHBondContact O-N 2.93Å
180E72.3Confident75.8Confident104 Ų10484.8 Ų84.849%0.48647%0.465SS..Hα-helixtrans-75.7-37.6179-65.4167.4152.900110.7G176 Q177 S183 M184G176-E180 WeakPolarHBondContact CA-OE2 3.41Å; Q177-E180 PolarHBondContact N-OE2 3.11Å; Q177-E180 PolarHBondContact O-N 3.06Å; E180-S183 PolarHBondContact O-N 3.18Å; E180-M184 PolarHBondContact O-N 3.43Å
181V72.6Confident76.1Confident36 Ų3684.4 Ų84.422%0.21847%0.473CS..Hα-helixtrans-66.1-42.6171.9-176.60000110.8Q177 S183 M184 I185Q177-V181 PolarHBondContact O-N 3.22Å; V181-S183 PolarHBondContact O-N 3.38Å; V181-M184 PolarHBondContact O-N 3.01Å; V181-I185 HydrophobicContact CG1-CD1 3.88Å; V181-I185 HydrophobicContact CG1-CG1 4.42Å; V181-I185 WeakPolarHBondContact O-CG1 3.45Å; V181-I185 PolarHBondContact O-N 3.44Å
182E74.6Confident76.7Confident88 Ų8886.9 Ų86.941%0.41148%0.482SS..Hα-helixtrans-62.9-38.3175-78.9172.7-175.100112.4R178 S186R178-E182 IonicContact CZ-OE1 3.72Å; R178-E182 IonicContact NE-OE1 3.77Å; R178-E182 IonicContact NH1-OE1 3.2Å; R178-E182 PolarHBondContact NH1-OE1 2.94Å; R178-E182 WeakPolarHBondContact O-CB 3.4Å; R178-E182 VanDerWaalsContact O-CG 3.26Å; R178-E182 WeakPolarHBondContact O-CG 3.3Å; R178-E182 PolarHBondContact O-N 2.64Å; E182-S186 WeakPolarHBondContact O-CB 3.37Å; E182-S186 PolarHBondContact O-N 3.29Å; E182-S186 PolarHBondContact O-OG 2.87Å
183S80.2Confident76.9Confident65 Ų6587.1 Ų87.146%0.45549%0.491SS..Hα-helixtrans-63.9-44.2173.5-168.90000111.8A179 E180 V181 S186 D187A179-S183 PolarHBondContact O-N 2.93Å; E180-S183 PolarHBondContact O-N 3.18Å; V181-S183 PolarHBondContact O-N 3.38Å; S183-S186 WeakPolarHBondContact O-CB 3.3Å; S183-S186 PolarHBondContact O-N 3.47Å; S183-D187 PolarHBondContact O-N 2.92Å
184M79.3Confident77.4Confident20 Ų2086.5 Ų86.510%0.09949%0.489CS..Hα-helixtrans-64.1-43.7177.3-174.1-162.2-47.400112.5S169 V172 V173 E180 V181 S186 D187 M188 Y201S169-M184 WeakPolarHBondContact O-CE 3.48Å; V172-M184 HydrophobicContact CB-CE 3.33Å; V172-M184 HydrophobicContact CG1-CE 3.29Å; V173-M184 HydrophobicContact CB-CE 4.15Å; V173-M184 HydrophobicContact CG2-CE 3.27Å; V173-M184 HydrophobicContact CG2-SD 3.26Å; V173-M184 WeakPolarHBondContact CG2-SD 3.37Å; V173-M184 VanDerWaalsContact N-CE 3.31Å; E180-M184 PolarHBondContact O-N 3.43Å; V181-M184 PolarHBondContact O-N 3.01Å; M184-S186 PolarHBondContact O-N 2.86Å; M184-D187 PolarHBondContact O-N 3.02Å; M184-D187 VanDerWaalsContact O-N 3.16Å; M184-M188 HydrophobicContact CG-SD 4.31Å; M184-M188 WeakPolarHBondContact O-CG 3.47Å; M184-M188 PolarHBondContact O-N 3.11Å; M184-M188 HydrophobicContact SD-SD 4.47Å; M184-Y201 HydrophobicContact SD-CE2 4.22Å
185I80.8Confident78.2Confident71 Ų7186.4 Ų86.436%0.36449%0.487SS..Hα-helixtrans-59.5-38.4175.6-68.2167.4000110.1V181 M188 L198V181-I185 HydrophobicContact CG1-CD1 3.88Å; V181-I185 HydrophobicContact CG1-CG1 4.42Å; V181-I185 WeakPolarHBondContact O-CG1 3.45Å; V181-I185 PolarHBondContact O-N 3.44Å; I185-M188 PolarHBondContact O-N 2.69Å; I185-L198 HydrophobicContact CD1-CD2 4.36Å; I185-L198 HydrophobicContact CG1-CD2 3.85Å; I185-L198 HydrophobicContact CG2-CD1 4.46Å
186S84.3Confident78.9Confident90 Ų9085.5 Ų85.563%0.62948%0.482SS*.Hα-helixtrans-66.2-40.7176.6-580000112E182 S183 M184 G189E182-S186 WeakPolarHBondContact O-CB 3.37Å; E182-S186 PolarHBondContact O-N 3.29Å; E182-S186 PolarHBondContact O-OG 2.87Å; S183-S186 WeakPolarHBondContact O-CB 3.3Å; S183-S186 PolarHBondContact O-N 3.47Å; M184-S186 PolarHBondContact O-N 2.86Å; S186-G189 PolarHBondContact O-N 3.22Å
187D83.6Confident79.6Confident136 Ų13688 Ų8873%0.72749%0.489SS*.Hα-helixtrans-70.2-30178-71-20.7000113.3S183 M184 G189S183-D187 PolarHBondContact O-N 2.92Å; M184-D187 PolarHBondContact O-N 3.02Å; M184-D187 VanDerWaalsContact O-N 3.16Å; D187-G189 PolarHBondContact O-N 3.39Å
188M81.6Confident80.6Confident45 Ų4583.3 Ų83.322%0.22247%0.468CS..Hα-helixtrans-65.2-20.2173.1-72.7168.762.200112.5M184 I185 A194 E197 L198 Y201M184-M188 HydrophobicContact CG-SD 4.31Å; M184-M188 WeakPolarHBondContact O-CG 3.47Å; M184-M188 PolarHBondContact O-N 3.11Å; M184-M188 HydrophobicContact SD-SD 4.47Å; I185-M188 PolarHBondContact O-N 2.69Å; M188-A194 HydrophobicContact CB-CB 4.22Å; M188-A194 HydrophobicContact CE-CB 4.44Å; M188-E197 HydrophobicContact CE-CB 3.41Å; M188-E197 VanDerWaalsContact CE-CB 3.41Å; M188-E197 HydrophobicContact CE-CG 4.43Å; M188-E197 WeakPolarHBondContact CE-OE2 3.44Å; M188-L198 HydrophobicContact CE-CD2 4.05Å; M188-L198 HydrophobicContact CE-CG 3.83Å; M188-L198 HydrophobicContact SD-CD2 4.32Å; M188-Y201 HydrophobicContact CE-CE2 4.46Å; M188-Y201 HydrophobicContact SD-CE2 4.21Å
189G80.9Confident81.7Confident38 Ų3876.3 Ų76.339%0.39245%0.45SS..  trans71.5-175.2179.100000113.9S186 D187 A194S186-G189 PolarHBondContact O-N 3.22Å; D187-G189 PolarHBondContact O-N 3.39Å; G189-A194 VanDerWaalsContact O-CB 3.3Å; G189-A194 WeakPolarHBondContact O-CB 3.44Å
190V81.9Confident82.6Confident164 Ų16477.6 Ų77.699%0.99445%0.447SS*.SBendtrans-106.3114.4-176.9-140.70000109.9
191G85.3Confident83.3Confident43 Ų4373.4 Ų73.444%0.44343%0.426SS..SBendtrans175.7173-179.700000114A193 A194 M195G191-A193 PolarHBondContact O-N 3.21Å; G191-A194 PolarHBondContact O-N 3.43Å; G191-M195 PolarHBondContact O-N 2.89Å
192Q87.8Confident84Confident131 Ų13175.6 Ų75.661%0.61244%0.443SS*.Hα-helixtrans-61.8-40.9-179.5-74.3-64.9-28.500112.6A194 M195 E196Q192-A194 PolarHBondContact O-N 2.65Å; Q192-M195 WeakPolarHBondContact O-CB 3.48Å; Q192-M195 PolarHBondContact O-N 3.49Å; Q192-E196 WeakPolarHBondContact O-CG 3.47Å; Q192-E196 PolarHBondContact O-N 2.88Å
193A83.6Confident84.7Confident74 Ų7476.8 Ų76.861%0.61245%0.451SS*.Hα-helixtrans-63.2-39.2177.100000113G191 E196 E197G191-A193 PolarHBondContact O-N 3.21Å; A193-E196 PolarHBondContact O-N 3.29Å; A193-E197 PolarHBondContact O-N 2.96Å
194A87.4Confident85.1Confident10 Ų1076.2 Ų76.28%0.08345%0.447CS..Hα-helixtrans-66.9-38.5175.200000111.5M188 G189 G191 Q192 E197 L198M188-A194 HydrophobicContact CB-CB 4.22Å; M188-A194 HydrophobicContact CE-CB 4.44Å; G189-A194 VanDerWaalsContact O-CB 3.3Å; G189-A194 WeakPolarHBondContact O-CB 3.44Å; G191-A194 PolarHBondContact O-N 3.43Å; Q192-A194 PolarHBondContact O-N 2.65Å; A194-E197 PolarHBondContact O-N 2.77Å; A194-L198 WeakPolarHBondContact O-CB 3.42Å; A194-L198 VanDerWaalsContact O-CG 3.28Å; A194-L198 WeakPolarHBondContact O-CG 3.49Å; A194-L198 PolarHBondContact O-N 3.47Å
195M85.9Confident85.5Confident114 Ų11479 Ų7956%0.56246%0.461SS*.Hα-helixtrans-63.6-43173.7-173.1-170.1-63.600111.8G191 Q192 L198 S199G191-M195 PolarHBondContact O-N 2.89Å; Q192-M195 WeakPolarHBondContact O-CB 3.48Å; Q192-M195 PolarHBondContact O-N 3.49Å; M195-L198 PolarHBondContact O-N 2.77Å; M195-S199 WeakPolarHBondContact O-CB 3.33Å; M195-S199 PolarHBondContact O-N 2.98Å
196E86.9Confident85.9Confident121 Ų12182.7 Ų82.757%0.56548%0.475SS*.Hα-helixtrans-61.4-47.5175.7-74.7176.8-178.100111.3Q192 A193 L198 S199 I200Q192-E196 WeakPolarHBondContact O-CG 3.47Å; Q192-E196 PolarHBondContact O-N 2.88Å; A193-E196 PolarHBondContact O-N 3.29Å; E196-L198 PolarHBondContact O-N 2.92Å; E196-S199 PolarHBondContact O-N 3.44Å; E196-S199 PolarHBondContact O-OG 3.28Å; E196-I200 WeakPolarHBondContact O-CG1 3.42Å; E196-I200 PolarHBondContact O-N 3Å
197E84.3Confident86.4Confident73 Ų7384.9 Ų84.934%0.34147%0.473SS..Hα-helixtrans-60.5-44.5175.8-84.4-163.7152.900112.6M188 A193 A194 S199 I200 Y201M188-E197 HydrophobicContact CE-CB 3.41Å; M188-E197 VanDerWaalsContact CE-CB 3.41Å; M188-E197 HydrophobicContact CE-CG 4.43Å; M188-E197 WeakPolarHBondContact CE-OE2 3.44Å; A193-E197 PolarHBondContact O-N 2.96Å; A194-E197 PolarHBondContact O-N 2.77Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 2.93Å; E197-I200 WeakPolarHBondContact O-CB 3.49Å; E197-I200 PolarHBondContact O-N 3.35Å; E197-I200 VanDerWaalsContact O-N 3.17Å; E197-Y201 PolarHBondContact O-N 3.15Å
198L86.8Confident86.6Confident56 Ų5683.8 Ų83.829%0.29346%0.463SS..Hα-helixtrans-62.7-36.7176.2-70.7171.2000112.2I185 M188 A194 M195 E196 Y201 C202I185-L198 HydrophobicContact CD1-CD2 4.36Å; I185-L198 HydrophobicContact CG1-CD2 3.85Å; I185-L198 HydrophobicContact CG2-CD1 4.46Å; M188-L198 HydrophobicContact CE-CD2 4.05Å; M188-L198 HydrophobicContact CE-CG 3.83Å; M188-L198 HydrophobicContact SD-CD2 4.32Å; A194-L198 WeakPolarHBondContact O-CB 3.42Å; A194-L198 VanDerWaalsContact O-CG 3.28Å; A194-L198 WeakPolarHBondContact O-CG 3.49Å; A194-L198 PolarHBondContact O-N 3.47Å; M195-L198 PolarHBondContact O-N 2.77Å; E196-L198 PolarHBondContact O-N 2.92Å; L198-Y201 HydrophobicContact CD2-CD2 4.44Å; L198-Y201 PolarHBondContact O-N 3.38Å; L198-C202 WeakPolarHBondContact O-CB 3.42Å; L198-C202 PolarHBondContact O-N 3.29Å; L198-C202 PolarHBondContact O-SG 3.32Å
199S86.8Confident87.1Confident54 Ų5488.7 Ų88.738%0.37848%0.481SS..Hα-helixtrans-65.1-40.2175.980.20000111.6M195 E196 E197 Y201 C202 I203M195-S199 WeakPolarHBondContact O-CB 3.33Å; M195-S199 PolarHBondContact O-N 2.98Å; E196-S199 PolarHBondContact O-N 3.44Å; E196-S199 PolarHBondContact O-OG 3.28Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 2.93Å; S199-Y201 VanDerWaalsContact C-N 3.35Å; S199-C202 PolarHBondContact O-N 2.61Å; S199-I203 WeakPolarHBondContact O-CB 3.43Å; S199-I203 WeakPolarHBondContact O-CD1 3.29Å; S199-I203 WeakPolarHBondContact O-CG1 3.38Å; S199-I203 PolarHBondContact O-N 3.24Å
200I88.5Confident87.6Confident96 Ų9690.6 Ų90.649%0.49248%0.479SS..Hα-helixtrans-63.2-43175.3-67.1164.8000110.1E196 E197 I203 S204E196-I200 WeakPolarHBondContact O-CG1 3.42Å; E196-I200 PolarHBondContact O-N 3Å; E197-I200 WeakPolarHBondContact O-CB 3.49Å; E197-I200 PolarHBondContact O-N 3.35Å; E197-I200 VanDerWaalsContact O-N 3.17Å; I200-I203 PolarHBondContact O-N 2.95Å; I200-S204 VanDerWaalsContact O-CB 3.28Å; I200-S204 WeakPolarHBondContact O-CB 3.42Å; I200-S204 PolarHBondContact O-N 2.92Å; I200-S204 PolarHBondContact O-OG 3.41Å
201Y85.3Confident88.2Confident16 Ų1686.7 Ų86.76%0.06345%0.453CS..Hα-helixtrans-63.3-47.8176.9-65-13.7000112S169 L170 V173 M184 M188 E197 L198 S199 I203 S204 L205S169-Y201 WeakPolarHBondContact CB-OH 3.38Å; L170-Y201 HydrophobicContact CD1-CE1 4.49Å; L170-Y201 HydrophobicContact CD2-CD1 3.27Å; L170-Y201 HydrophobicContact CD2-CE1 3.2Å; L170-Y201 HydrophobicContact CD2-CG 4.25Å; L170-Y201 HydrophobicContact CG-CD1 4.17Å; L170-Y201 HydrophobicContact CG-CE1 3.57Å; V173-Y201 HydrophobicContact CG2-CD2 3.91Å; V173-Y201 HydrophobicContact CG2-CE2 3.87Å; M184-Y201 HydrophobicContact SD-CE2 4.22Å; M188-Y201 HydrophobicContact CE-CE2 4.46Å; M188-Y201 HydrophobicContact SD-CE2 4.21Å; E197-Y201 PolarHBondContact O-N 3.15Å; L198-Y201 HydrophobicContact CD2-CD2 4.44Å; L198-Y201 PolarHBondContact O-N 3.38Å; S199-Y201 VanDerWaalsContact C-N 3.35Å; Y201-I203 PolarHBondContact O-N 3.42Å; Y201-S204 PolarHBondContact O-N 2.97Å; Y201-L205 WeakPolarHBondContact O-CB 3.37Å; Y201-L205 WeakPolarHBondContact O-CG 3.39Å; Y201-L205 PolarHBondContact O-N 3.45Å
202C87.2Confident88.6Confident83 Ų8390.5 Ų90.556%0.56146%0.463SS*.Hα-helixtrans-59.5-44.8176.9-68.50000112.4L198 S199 K206L198-C202 WeakPolarHBondContact O-CB 3.42Å; L198-C202 PolarHBondContact O-N 3.29Å; L198-C202 PolarHBondContact O-SG 3.32Å; S199-C202 PolarHBondContact O-N 2.61Å; C202-K206 VanDerWaalsContact O-CB 3.3Å; C202-K206 WeakPolarHBondContact O-CB 3.47Å; C202-K206 PolarHBondContact O-N 3.01Å
203I91.3Very high88.8Confident113 Ų11388.1 Ų88.158%0.57945%0.45SS*.Hα-helixtrans-65-43.3178.9-68.5165.6000110.5S199 I200 Y201 K206 K207S199-I203 WeakPolarHBondContact O-CB 3.43Å; S199-I203 WeakPolarHBondContact O-CD1 3.29Å; S199-I203 WeakPolarHBondContact O-CG1 3.38Å; S199-I203 PolarHBondContact O-N 3.24Å; I200-I203 PolarHBondContact O-N 2.95Å; Y201-I203 PolarHBondContact O-N 3.42Å; I203-K206 PolarHBondContact O-N 3.13Å; I203-K207 WeakPolarHBondContact O-CB 3.44Å; I203-K207 PolarHBondContact O-N 2.97Å
204S87.5Confident89.3Confident53 Ų5385.9 Ų85.937%0.37143%0.434SS..Hα-helixtrans-63.9-46.8179.9-58.80000111.4I200 Y201 K206 K207 E208I200-S204 VanDerWaalsContact O-CB 3.28Å; I200-S204 WeakPolarHBondContact O-CB 3.42Å; I200-S204 PolarHBondContact O-N 2.92Å; I200-S204 PolarHBondContact O-OG 3.41Å; Y201-S204 PolarHBondContact O-N 2.97Å; S204-K206 PolarHBondContact O-N 2.87Å; S204-K207 PolarHBondContact O-N 2.87Å; S204-E208 PolarHBondContact O-N 3.32Å
205L87.5Confident89.6Confident78 Ų7889.1 Ų89.141%0.40846%0.456SS..Hα-helixtrans-61.6-43.7175.6-73.3169.9000112.2V173 L174 Y201 K207 E208 Y209V173-L205 HydrophobicContact CG1-CD1 4.33Å; L174-L205 HydrophobicContact CD2-CD2 3.47Å; L174-L205 VanDerWaalsContact CD2-CD2 3.47Å; Y201-L205 WeakPolarHBondContact O-CB 3.37Å; Y201-L205 WeakPolarHBondContact O-CG 3.39Å; Y201-L205 PolarHBondContact O-N 3.45Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.49Å; L205-E208 PolarHBondContact O-N 2.95Å; L205-Y209 WeakPolarHBondContact O-CB 3.38Å; L205-Y209 PolarHBondContact O-N 3.32Å
206K90.4Very high90Very high149 Ų14989.7 Ų89.765%0.64846%0.461SS*.Hα-helixtrans-61.6-41.5176.6-177.1177.4179.9179.50111.8C202 I203 S204 Y209 E210C202-K206 VanDerWaalsContact O-CB 3.3Å; C202-K206 WeakPolarHBondContact O-CB 3.47Å; C202-K206 PolarHBondContact O-N 3.01Å; I203-K206 PolarHBondContact O-N 3.13Å; S204-K206 PolarHBondContact O-N 2.87Å; K206-Y209 PolarHBondContact O-N 2.94Å; K206-E210 PolarHBondContact O-N 2.73Å
207K93.6Very high90.3Very high136 Ų13690.6 Ų90.659%0.59146%0.459SS*.Hα-helixtrans-64.6-46.3178.2-176-179.5176.8-174.90111.3I203 S204 L205 E210 N211I203-K207 WeakPolarHBondContact O-CB 3.44Å; I203-K207 PolarHBondContact O-N 2.97Å; S204-K207 PolarHBondContact O-N 2.87Å; L205-K207 VanDerWaalsContact C-N 3.33Å; L205-K207 PolarHBondContact O-N 3.49Å; K207-E210 PolarHBondContact O-N 3.4Å; K207-N211 WeakPolarHBondContact O-CB 3.42Å; K207-N211 PolarHBondContact O-N 2.84Å
208E88.4Confident90.9Very high112 Ų11294.4 Ų94.452%0.52347%0.472SS..Hα-helixtrans-64.5-40.1177.6-72.7-53.9130.100112S204 L205 N211 L212S204-E208 PolarHBondContact O-N 3.32Å; L205-E208 PolarHBondContact O-N 2.95Å; E208-N211 WeakPolarHBondContact O-CB 3.16Å; E208-N211 PolarHBondContact O-N 3.31Å; E208-L212 WeakPolarHBondContact O-CB 3.26Å; E208-L212 PolarHBondContact O-N 3.42Å
209Y91Very high91.1Very high148 Ų14895.2 Ų95.258%0.5848%0.482SS*.Hα-helixtrans-61-47.3174.6176.4-99.4000112.6L205 K206 N211 L212 K213L205-Y209 WeakPolarHBondContact O-CB 3.38Å; L205-Y209 PolarHBondContact O-N 3.32Å; K206-Y209 PolarHBondContact O-N 2.94Å; Y209-N211 VanDerWaalsContact C-N 3.32Å; Y209-N211 PolarHBondContact O-N 3.03Å; Y209-L212 PolarHBondContact O-N 3.27Å; Y209-K213 HydrophobicContact CE1-CD 4.07Å; Y209-K213 VanDerWaalsContact O-CB 3.25Å; Y209-K213 WeakPolarHBondContact O-CB 3.41Å; Y209-K213 PolarHBondContact O-N 3Å
210E93.1Very high91.4Very high79 Ų7997.3 Ų97.337%0.36949%0.489SS..Hα-helixtrans-65.8-35177.8-73.6-62.6161.200112.2K206 K207 K213 G214K206-E210 PolarHBondContact O-N 2.73Å; K207-E210 PolarHBondContact O-N 3.4Å; E210-K213 IonicContact OE1-NZ 2.74Å; E210-K213 PolarHBondContact OE1-NZ 3.18Å; E210-K213 IonicContact OE2-NZ 3.36Å; E210-K213 PolarHBondContact OE2-NZ 2.98Å; E210-G214 PolarHBondContact O-N 3.42Å
211N94.2Very high91.8Very high81 Ų8199.1 Ų99.143%0.43350%0.495SS..Hα-helixtrans-61.1-51.9171.3-79.5-11.5000111.3K207 E208 Y209 K213 G214 S215K207-N211 WeakPolarHBondContact O-CB 3.42Å; K207-N211 PolarHBondContact O-N 2.84Å; E208-N211 WeakPolarHBondContact O-CB 3.16Å; E208-N211 PolarHBondContact O-N 3.31Å; Y209-N211 VanDerWaalsContact C-N 3.32Å; Y209-N211 PolarHBondContact O-N 3.03Å; N211-K213 VanDerWaalsContact C-N 3.31Å; N211-K213 PolarHBondContact O-N 3.36Å; N211-G214 CarbonylContact O-C 3.6Å; N211-G214 WeakPolarHBondContact O-CA 3.41Å; N211-G214 PolarHBondContact O-N 3.45Å; N211-S215 PolarHBondContact O-N 3.01Å; N211-S215 PolarHBondContact O-OG 3.5Å
212L92.4Very high92.2Very high124 Ų124101.8 Ų101.865%0.64951%0.509SS*.Hα-helixtrans-59.8-42.8179.9-13180.1000111.6E208 Y209 G214 S215 L216E208-L212 WeakPolarHBondContact O-CB 3.26Å; E208-L212 PolarHBondContact O-N 3.42Å; Y209-L212 PolarHBondContact O-N 3.27Å; L212-G214 VanDerWaalsContact C-N 3.31Å; L212-G214 PolarHBondContact O-N 3.33Å; L212-S215 PolarHBondContact O-N 2.91Å; L212-L216 WeakPolarHBondContact O-CB 3.45Å; L212-L216 PolarHBondContact O-N 3.4Å
213K92.8Very high92.5Very high80 Ų80100.1 Ų100.135%0.34850%0.499SS..Hα-helixtrans-63.3-36.7174.9180-179.6167.1-160.70112Y209 E210 N211 R217Y209-K213 HydrophobicContact CE1-CD 4.07Å; Y209-K213 VanDerWaalsContact O-CB 3.25Å; Y209-K213 WeakPolarHBondContact O-CB 3.41Å; Y209-K213 PolarHBondContact O-N 3Å; E210-K213 IonicContact OE1-NZ 2.74Å; E210-K213 PolarHBondContact OE1-NZ 3.18Å; E210-K213 IonicContact OE2-NZ 3.36Å; E210-K213 PolarHBondContact OE2-NZ 2.98Å; N211-K213 VanDerWaalsContact C-N 3.31Å; N211-K213 PolarHBondContact O-N 3.36Å; K213-R217 WeakPolarHBondContact O-CG 3.36Å; K213-R217 PolarHBondContact O-N 3.2Å; K213-R217 VanDerWaalsContact O-N 3.12Å; K213-R217 PolarHBondContact O-NE 2.91Å
214G94.3Very high92.8Very high27 Ų2797.9 Ų97.928%0.27849%0.486SS..Hα-helixtrans-63.5-50.4171.400000112.1E210 N211 L212 L216 R217 Y218E210-G214 PolarHBondContact O-N 3.42Å; N211-G214 CarbonylContact O-C 3.6Å; N211-G214 WeakPolarHBondContact O-CA 3.41Å; N211-G214 PolarHBondContact O-N 3.45Å; L212-G214 VanDerWaalsContact C-N 3.31Å; L212-G214 PolarHBondContact O-N 3.33Å; G214-L216 VanDerWaalsContact C-N 3.34Å; G214-L216 PolarHBondContact O-N 3.15Å; G214-R217 PolarHBondContact O-N 3.41Å; G214-Y218 PolarHBondContact O-N 3.05Å
215S93.4Very high93.2Very high79 Ų79100.7 Ų100.755%0.55249%0.491SS*.Hα-helixtrans-60.9-40.7177.7-62.90000112.6N211 L212 Y218 S219N211-S215 PolarHBondContact O-N 3.01Å; N211-S215 PolarHBondContact O-OG 3.5Å; L212-S215 PolarHBondContact O-N 2.91Å; S215-Y218 PolarHBondContact O-N 3.42Å; S215-S219 VanDerWaalsContact O-CB 3.3Å; S215-S219 WeakPolarHBondContact O-CB 3.37Å; S215-S219 PolarHBondContact O-N 3.01Å
216L93.4Very high93.6Very high125 Ų125101.4 Ų101.465%0.65450%0.495SS*.Hα-helixtrans-63.8-44.9176.1-177.764.9000111.4L212 G214 S219 N220L212-L216 WeakPolarHBondContact O-CB 3.45Å; L212-L216 PolarHBondContact O-N 3.4Å; G214-L216 VanDerWaalsContact C-N 3.34Å; G214-L216 PolarHBondContact O-N 3.15Å; L216-S219 PolarHBondContact O-N 3.48Å; L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 PolarHBondContact O-N 3.2Å
217R94.7Very high93.8Very high141 Ų14199.7 Ų99.753%0.53249%0.487SS..Hα-helixtrans-59.8-48.1175.6-79.3-173.3-74.1169.5-4.1111.5K213 G214 S219 N220 E221K213-R217 WeakPolarHBondContact O-CG 3.36Å; K213-R217 PolarHBondContact O-N 3.2Å; K213-R217 VanDerWaalsContact O-N 3.12Å; K213-R217 PolarHBondContact O-NE 2.91Å; G214-R217 PolarHBondContact O-N 3.41Å; R217-S219 PolarHBondContact O-N 3.34Å; R217-N220 PolarHBondContact O-N 3.28Å; R217-E221 WeakPolarHBondContact O-CG 3.47Å; R217-E221 PolarHBondContact O-N 3.2Å
218Y95.3Very high94Very high153 Ų153101.1 Ų101.160%0.649%0.489SS*.Hα-helixtrans-60.6-45.2177.8179.3-98.7000112.4G214 S215 N220 E221 M222G214-Y218 PolarHBondContact O-N 3.05Å; S215-Y218 PolarHBondContact O-N 3.42Å; Y218-N220 VanDerWaalsContact C-N 3.33Å; Y218-N220 PolarHBondContact O-N 2.85Å; Y218-E221 PolarHBondContact O-N 3.46Å; Y218-M222 WeakPolarHBondContact O-CB 3.43Å; Y218-M222 PolarHBondContact O-N 2.99Å
219S91.4Very high94.4Very high73 Ų73100.6 Ų100.651%0.5149%0.487SS..Hα-helixtrans-61.5-41.6176.8-1770000111.7S215 L216 R217 M222 S223S215-S219 VanDerWaalsContact O-CB 3.3Å; S215-S219 WeakPolarHBondContact O-CB 3.37Å; S215-S219 PolarHBondContact O-N 3.01Å; L216-S219 PolarHBondContact O-N 3.48Å; R217-S219 PolarHBondContact O-N 3.34Å; S219-M222 PolarHBondContact O-N 3.22Å; S219-S223 WeakPolarHBondContact O-CB 3.35Å; S219-S223 PolarHBondContact O-N 3.31Å
220N93.6Very high94.6Very high97 Ų9798.3 Ų98.352%0.51949%0.488SS..Hα-helixtrans-68.1-43.1178.7-162.538.9000112.1L216 R217 Y218 M222 S223 E224L216-N220 WeakPolarHBondContact O-CB 3.49Å; L216-N220 PolarHBondContact O-N 3.2Å; R217-N220 PolarHBondContact O-N 3.28Å; Y218-N220 VanDerWaalsContact C-N 3.33Å; Y218-N220 PolarHBondContact O-N 2.85Å; N220-M222 VanDerWaalsContact C-N 3.32Å; N220-M222 PolarHBondContact O-N 3.32Å; N220-S223 WeakPolarHBondContact O-CB 3.3Å; N220-S223 PolarHBondContact O-N 3.01Å; N220-E224 WeakPolarHBondContact O-CG 3.45Å; N220-E224 PolarHBondContact O-N 2.9Å
221E96.6Very high94.8Very high134 Ų134101.7 Ų101.763%0.62650%0.502SS*.Hα-helixtrans-59.5-42.7174-76.8174.5-166.700111.9R217 Y218 E224 K225R217-E221 WeakPolarHBondContact O-CG 3.47Å; R217-E221 PolarHBondContact O-N 3.2Å; Y218-E221 PolarHBondContact O-N 3.46Å; E221-E224 PolarHBondContact O-N 2.84Å; E221-K225 WeakPolarHBondContact O-CB 3.3Å; E221-K225 PolarHBondContact O-N 3.28Å
222M94.2Very high94.9Very high73 Ų73100 Ų10036%0.3650%0.499SS..Hα-helixtrans-65.1-43.1175.4-173.363.376.300111.8Y218 S219 N220 E224 K225 L226Y218-M222 WeakPolarHBondContact O-CB 3.43Å; Y218-M222 PolarHBondContact O-N 2.99Å; S219-M222 PolarHBondContact O-N 3.22Å; N220-M222 VanDerWaalsContact C-N 3.32Å; N220-M222 PolarHBondContact O-N 3.32Å; M222-E224 VanDerWaalsContact C-N 3.34Å; M222-E224 PolarHBondContact O-N 2.96Å; M222-K225 PolarHBondContact O-N 3.4Å; M222-L226 HydrophobicContact CG-CD1 4.27Å; M222-L226 WeakPolarHBondContact O-CG 3.34Å; M222-L226 PolarHBondContact O-N 3.46Å
223S93.6Very high95Very high48 Ų4897.8 Ų97.834%0.33649%0.493SS..Hα-helixtrans-58.9-46.4176-170.80000111.2S219 N220 K225 L226 K227S219-S223 WeakPolarHBondContact O-CB 3.35Å; S219-S223 PolarHBondContact O-N 3.31Å; N220-S223 WeakPolarHBondContact O-CB 3.3Å; N220-S223 PolarHBondContact O-N 3.01Å; S223-K225 VanDerWaalsContact C-N 3.35Å; S223-K225 PolarHBondContact O-N 3.41Å; S223-L226 PolarHBondContact O-N 3.05Å; S223-K227 VanDerWaalsContact O-CG 3.3Å; S223-K227 WeakPolarHBondContact O-CG 3.38Å; S223-K227 PolarHBondContact O-N 3.47Å
224E96.4Very high95.1Very high66 Ų6698.6 Ų98.631%0.30850%0.502SS..Hα-helixtrans-63.6-38.7177.1-74.4-59.8119.700112.5N220 E221 M222 K227 R228N220-E224 WeakPolarHBondContact O-CG 3.45Å; N220-E224 PolarHBondContact O-N 2.9Å; E221-E224 PolarHBondContact O-N 2.84Å; M222-E224 VanDerWaalsContact C-N 3.34Å; M222-E224 PolarHBondContact O-N 2.96Å; E224-K227 PolarHBondContact O-N 2.82Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 2.69Å; E224-K227 PolarHBondContact OE1-NZ 3.45Å; E224-R228 WeakPolarHBondContact O-CG 3.46Å; E224-R228 PolarHBondContact O-N 2.9Å; E224-R228 VanDerWaalsContact O-N 3.07Å
225K97.1Very high95.2Very high112 Ų112100.1 Ų100.149%0.48750%0.504SS..Hα-helixtrans-62-49.5174.1-173.8-179176.7-1730111.5E221 M222 S223 K227 R228 E229E221-K225 WeakPolarHBondContact O-CB 3.3Å; E221-K225 PolarHBondContact O-N 3.28Å; M222-K225 PolarHBondContact O-N 3.4Å; S223-K225 VanDerWaalsContact C-N 3.35Å; S223-K225 PolarHBondContact O-N 3.41Å; K225-K227 VanDerWaalsContact C-N 3.33Å; K225-K227 PolarHBondContact O-N 3.08Å; K225-R228 PolarHBondContact O-N 2.95Å; K225-E229 WeakPolarHBondContact CE-OE1 3.41Å; K225-E229 PolarHBondContact O-N 3.3Å
226L95.6Very high95.4Very high92 Ų92103.6 Ų103.648%0.48251%0.509SS..Hα-helixtrans-62.1-40178.2-72.4172.2000111.7M222 S223 R228 E229 V230M222-L226 HydrophobicContact CG-CD1 4.27Å; M222-L226 WeakPolarHBondContact O-CG 3.34Å; M222-L226 PolarHBondContact O-N 3.46Å; S223-L226 PolarHBondContact O-N 3.05Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 2.88Å; L226-E229 PolarHBondContact O-N 3.44Å; L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 VanDerWaalsContact O-CG2 3.29Å; L226-V230 WeakPolarHBondContact O-CG2 3.2Å; L226-V230 PolarHBondContact O-N 2.9Å
227K95.6Very high95.5Very high114 Ų114102.6 Ų102.650%0.49650%0.504SS..Hα-helixtrans-58.8-43.4174.1-74.5176.1-164168.50111.9S223 E224 K225 V230 F231S223-K227 VanDerWaalsContact O-CG 3.3Å; S223-K227 WeakPolarHBondContact O-CG 3.38Å; S223-K227 PolarHBondContact O-N 3.47Å; E224-K227 PolarHBondContact O-N 2.82Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 2.69Å; E224-K227 PolarHBondContact OE1-NZ 3.45Å; K225-K227 VanDerWaalsContact C-N 3.33Å; K225-K227 PolarHBondContact O-N 3.08Å; K227-V230 PolarHBondContact O-N 3.09Å; K227-F231 WeakPolarHBondContact O-CB 3.33Å; K227-F231 PolarHBondContact O-N 3.43Å
228R96.7Very high95.6Very high166 Ų166101.2 Ų101.263%0.62650%0.503SS*.Hα-helixtrans-64.7-41.9176.6-68.6175.7-154.7142.76.5112.1E224 K225 L226 F231 A232E224-R228 WeakPolarHBondContact O-CG 3.46Å; E224-R228 PolarHBondContact O-N 2.9Å; E224-R228 VanDerWaalsContact O-N 3.07Å; K225-R228 PolarHBondContact O-N 2.95Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 2.88Å; R228-F231 PolarHBondContact O-N 3.23Å; R228-A232 WeakPolarHBondContact O-CB 3.48Å; R228-A232 PolarHBondContact O-N 3.13Å
229E96.7Very high95.6Very high101 Ų10199.8 Ų99.847%0.47250%0.5SS..Hα-helixtrans-64.9-43.4177.3-72.9177.1-169.100111.9K225 L226 A232 S233K225-E229 WeakPolarHBondContact CE-OE1 3.41Å; K225-E229 PolarHBondContact O-N 3.3Å; L226-E229 PolarHBondContact O-N 3.44Å; E229-A232 PolarHBondContact O-N 3.01Å; E229-S233 VanDerWaalsContact O-CB 3.26Å; E229-S233 WeakPolarHBondContact O-CB 3.34Å; E229-S233 PolarHBondContact O-N 3.35Å
230V96Very high95.8Very high100 Ų10098.7 Ų98.761%0.60650%0.495SS*.Hα-helixtrans-60.9-46.3174169.30000110.6L226 K227 A232 S233 N234L226-V230 WeakPolarHBondContact O-CB 3.49Å; L226-V230 VanDerWaalsContact O-CG2 3.29Å; L226-V230 WeakPolarHBondContact O-CG2 3.2Å; L226-V230 PolarHBondContact O-N 2.9Å; K227-V230 PolarHBondContact O-N 3.09Å; V230-A232 PolarHBondContact O-N 3.15Å; V230-S233 PolarHBondContact O-N 2.89Å; V230-N234 VanDerWaalsContact O-CB 3.27Å; V230-N234 WeakPolarHBondContact O-CB 3.5Å; V230-N234 PolarHBondContact O-N 2.95Å
231F96.1Very high95.9Very high150 Ų15096.8 Ų96.866%0.65849%0.487SS*.Hα-helixtrans-60.6-45.9177.9-175.1-95.1000112K227 R228 N234 N235K227-F231 WeakPolarHBondContact O-CB 3.33Å; K227-F231 PolarHBondContact O-N 3.43Å; R228-F231 PolarHBondContact O-N 3.23Å; F231-N234 PolarHBondContact O-N 3.34Å; F231-N235 WeakPolarHBondContact O-CB 3.43Å; F231-N235 PolarHBondContact O-N 3.48Å
232A96.8Very high95.9Very high46 Ų4696.4 Ų96.438%0.3849%0.487SS..Hα-helixtrans-65-41.617800000112.3R228 E229 V230 N235 K236R228-A232 WeakPolarHBondContact O-CB 3.48Å; R228-A232 PolarHBondContact O-N 3.13Å; E229-A232 PolarHBondContact O-N 3.01Å; V230-A232 PolarHBondContact O-N 3.15Å; A232-N235 PolarHBondContact O-N 3.33Å; A232-K236 WeakPolarHBondContact O-CG 3.47Å; A232-K236 PolarHBondContact O-N 3.28Å; A232-K236 VanDerWaalsContact O-N 3.08Å
233S94.9Very high96Very high76 Ų7699.1 Ų99.153%0.53150%0.499SS..Hα-helixtrans-64.3-44176.4-171.20000111.6E229 V230 N235 K236 L237E229-S233 VanDerWaalsContact O-CB 3.26Å; E229-S233 WeakPolarHBondContact O-CB 3.34Å; E229-S233 PolarHBondContact O-N 3.35Å; V230-S233 PolarHBondContact O-N 2.89Å; S233-N235 VanDerWaalsContact C-N 3.35Å; S233-N235 PolarHBondContact O-N 2.98Å; S233-K236 PolarHBondContact O-N 3.48Å; S233-L237 WeakPolarHBondContact O-CB 3.47Å; S233-L237 PolarHBondContact O-N 3.3Å
234N95.2Very high96.1Very high97 Ų97102.5 Ų102.552%0.51951%0.511SS..Hα-helixtrans-63.3-40.3177.9-16539.6000111.9V230 F231 L237 Q238V230-N234 VanDerWaalsContact O-CB 3.27Å; V230-N234 WeakPolarHBondContact O-CB 3.5Å; V230-N234 PolarHBondContact O-N 2.95Å; F231-N234 PolarHBondContact O-N 3.34Å; N234-L237 PolarHBondContact O-N 3.02Å; N234-Q238 WeakPolarHBondContact O-CB 3.38Å; N234-Q238 PolarHBondContact O-N 3.11Å
235N96.3Very high96.1Very high60 Ų60103.1 Ų103.132%0.32152%0.516SS..Hα-helixtrans-63-43.2174.6-169.2-55.2000111.8F231 A232 S233 Q238 K239F231-N235 WeakPolarHBondContact O-CB 3.43Å; F231-N235 PolarHBondContact O-N 3.48Å; A232-N235 PolarHBondContact O-N 3.33Å; S233-N235 VanDerWaalsContact C-N 3.35Å; S233-N235 PolarHBondContact O-N 2.98Å; N235-Q238 PolarHBondContact O-N 3.12Å; N235-K239 WeakPolarHBondContact O-CG 3.42Å; N235-K239 PolarHBondContact O-N 3.34Å; N235-K239 WeakPolarHBondContact OD1-CE 3.48Å
236K96.9Very high96.1Very high151 Ų151106.3 Ų106.366%0.65753%0.525SS*.Hα-helixtrans-62.2-44.4174.3-71.9174.7-177.6179.30111.9A232 S233 Q238 K239 A240A232-K236 WeakPolarHBondContact O-CG 3.47Å; A232-K236 PolarHBondContact O-N 3.28Å; A232-K236 VanDerWaalsContact O-N 3.08Å; S233-K236 PolarHBondContact O-N 3.48Å; K236-Q238 VanDerWaalsContact C-N 3.33Å; K236-Q238 PolarHBondContact O-N 2.92Å; K236-K239 PolarHBondContact O-N 3.47Å; K236-A240 WeakPolarHBondContact O-CB 3.42Å; K236-A240 PolarHBondContact O-N 3.48Å
237L95.4Very high96.1Very high105 Ų105105.8 Ų105.855%0.5553%0.526SS..Hα-helixtrans-61.2-43.5177.5179.563.4000111.3S233 N234 A240 T241S233-L237 WeakPolarHBondContact O-CB 3.47Å; S233-L237 PolarHBondContact O-N 3.3Å; N234-L237 PolarHBondContact O-N 3.02Å; L237-A240 PolarHBondContact O-N 3.26Å; L237-T241 VanDerWaalsContact O-CB 3.31Å; L237-T241 WeakPolarHBondContact O-CB 3.35Å; L237-T241 PolarHBondContact O-N 3.36Å; L237-T241 PolarHBondContact O-OG1 2.96Å
238Q96.3Very high96.1Very high112 Ų112103.5 Ų103.552%0.52352%0.519SS..Hα-helixtrans-60.3-47.6176.3-173.7-179.78.100111.2N234 N235 K236 T241 M242N234-Q238 WeakPolarHBondContact O-CB 3.38Å; N234-Q238 PolarHBondContact O-N 3.11Å; N235-Q238 PolarHBondContact O-N 3.12Å; K236-Q238 VanDerWaalsContact C-N 3.33Å; K236-Q238 PolarHBondContact O-N 2.92Å; Q238-T241 PolarHBondContact O-N 3.1Å; Q238-M242 HydrophobicContact CG-SD 4.31Å; Q238-M242 VanDerWaalsContact O-CG 3.31Å; Q238-M242 WeakPolarHBondContact O-CG 3.37Å; Q238-M242 PolarHBondContact O-N 3.2Å
239K96.5Very high96.1Very high123 Ų12399.9 Ų99.954%0.53551%0.512SS..Hα-helixtrans-59.1-49.8175.8-73.4176.8177.1177.90112.2N235 K236 T241 M242 E243N235-K239 WeakPolarHBondContact O-CG 3.42Å; N235-K239 PolarHBondContact O-N 3.34Å; N235-K239 WeakPolarHBondContact OD1-CE 3.48Å; K236-K239 PolarHBondContact O-N 3.47Å; K239-T241 VanDerWaalsContact C-N 3.26Å; K239-T241 PolarHBondContact O-N 2.9Å; K239-M242 PolarHBondContact O-N 2.87Å; K239-M242 VanDerWaalsContact O-N 3.15Å; K239-E243 WeakPolarHBondContact O-CG 3.21Å; K239-E243 PolarHBondContact O-N 2.92Å
240A95.8Very high96.1Very high50 Ų5099.3 Ų99.341%0.41351%0.513SS..Hα-helixtrans-61.5-35.8178.500000112.2K236 L237 E243 M244K236-A240 WeakPolarHBondContact O-CB 3.42Å; K236-A240 PolarHBondContact O-N 3.48Å; L237-A240 PolarHBondContact O-N 3.26Å; A240-E243 PolarHBondContact O-N 2.98Å; A240-M244 VanDerWaalsContact O-CB 3.3Å; A240-M244 WeakPolarHBondContact O-CB 3.47Å; A240-M244 PolarHBondContact O-N 3.02Å
241T95.9Very high96Very high57 Ų57100.7 Ų100.735%0.3551%0.514SS..Hα-helixtrans-68.3-40.8176.4-60.10000111.2L237 Q238 K239 M244 N245L237-T241 VanDerWaalsContact O-CB 3.31Å; L237-T241 WeakPolarHBondContact O-CB 3.35Å; L237-T241 PolarHBondContact O-N 3.36Å; L237-T241 PolarHBondContact O-OG1 2.96Å; Q238-T241 PolarHBondContact O-N 3.1Å; K239-T241 VanDerWaalsContact C-N 3.26Å; K239-T241 PolarHBondContact O-N 2.9Å; T241-M244 PolarHBondContact O-N 2.89Å; T241-N245 WeakPolarHBondContact O-CB 3.34Å; T241-N245 VanDerWaalsContact O-CG 3.23Å; T241-N245 PolarHBondContact O-N 3.14Å; T241-N245 PolarHBondContact O-ND2 3.38Å
242M96.2Very high96.1Very high125 Ų12598.6 Ų98.662%0.61650%0.504SS*.Hα-helixtrans-63.4-42.3174.7-68.3173105.400111.6Q238 K239 N245 R246Q238-M242 HydrophobicContact CG-SD 4.31Å; Q238-M242 VanDerWaalsContact O-CG 3.31Å; Q238-M242 WeakPolarHBondContact O-CG 3.37Å; Q238-M242 PolarHBondContact O-N 3.2Å; K239-M242 PolarHBondContact O-N 2.87Å; K239-M242 VanDerWaalsContact O-N 3.15Å; M242-N245 PolarHBondContact O-N 2.94Å; M242-R246 PolarHBondContact O-N 3.23Å
243E96.8Very high96Very high130 Ų13098.7 Ų98.761%0.60751%0.505SS*.Hα-helixtrans-65.7-43.5175.3-71.2171.6-168.900112.4K239 A240 N245 R246 T247K239-E243 WeakPolarHBondContact O-CG 3.21Å; K239-E243 PolarHBondContact O-N 2.92Å; A240-E243 PolarHBondContact O-N 2.98Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.92Å; E243-R246 PolarHBondContact O-N 3.34Å; E243-T247 WeakPolarHBondContact O-CG2 3.47Å; E243-T247 PolarHBondContact O-N 3.5Å; E243-T247 PolarHBondContact O-OG1 3.02Å; E243-T247 VanDerWaalsContact O-OG1 3.13Å
244M95.5Very high96.1Very high119 Ų11999.7 Ų99.759%0.58651%0.508SS*.Hα-helixtrans-60.6-43.4176-173.6176.679.800111.6A240 T241 T247 N248A240-M244 VanDerWaalsContact O-CB 3.3Å; A240-M244 WeakPolarHBondContact O-CB 3.47Å; A240-M244 PolarHBondContact O-N 3.02Å; T241-M244 PolarHBondContact O-N 2.89Å; M244-T247 WeakPolarHBondContact CA-OG1 3.3Å; M244-T247 PolarHBondContact O-N 3.34Å; M244-T247 PolarHBondContact O-OG1 3.43Å; M244-N248 VanDerWaalsContact O-CB 3.25Å; M244-N248 WeakPolarHBondContact O-CB 3.46Å; M244-N248 PolarHBondContact O-N 3.2Å
245N95.7Very high96.1Very high80 Ų80100 Ų10043%0.42851%0.507SS..Hα-helixtrans-62.8-43.7176.2-72.3-22000111.5T241 M242 E243 N248 D249T241-N245 WeakPolarHBondContact O-CB 3.34Å; T241-N245 VanDerWaalsContact O-CG 3.23Å; T241-N245 PolarHBondContact O-N 3.14Å; T241-N245 PolarHBondContact O-ND2 3.38Å; M242-N245 PolarHBondContact O-N 2.94Å; E243-N245 VanDerWaalsContact C-N 3.34Å; E243-N245 PolarHBondContact O-N 2.92Å; N245-N248 PolarHBondContact O-N 3.39Å; N245-D249 PolarHBondContact O-N 2.91Å
246R96.9Very high96.1Very high178 Ų178101.7 Ų101.767%0.67252%0.515SS*.Hα-helixtrans-59.4-50.6176.9-172.6174.3-176.9158.12.6112M242 E243 N248 D249 D250M242-R246 PolarHBondContact O-N 3.23Å; E243-R246 PolarHBondContact O-N 3.34Å; R246-N248 VanDerWaalsContact C-N 3.31Å; R246-N248 PolarHBondContact O-N 2.99Å; R246-D249 PolarHBondContact O-N 3.26Å; R246-D250 PolarHBondContact O-N 3.45Å
247T95.4Very high96.1Very high81 Ų8199.6 Ų99.650%0.49751%0.511SS..Hα-helixtrans-64.2-33.5177.953.70000113.4E243 M244 D250 M251E243-T247 WeakPolarHBondContact O-CG2 3.47Å; E243-T247 PolarHBondContact O-N 3.5Å; E243-T247 PolarHBondContact O-OG1 3.02Å; E243-T247 VanDerWaalsContact O-OG1 3.13Å; M244-T247 WeakPolarHBondContact CA-OG1 3.3Å; M244-T247 PolarHBondContact O-N 3.34Å; M244-T247 PolarHBondContact O-OG1 3.43Å; T247-D250 PolarHBondContact O-N 3.48Å; T247-M251 VanDerWaalsContact O-CB 3.32Å; T247-M251 WeakPolarHBondContact O-CB 3.41Å; T247-M251 PolarHBondContact O-N 3Å
248N96.5Very high96.1Very high66 Ų6698.8 Ų98.835%0.35351%0.507SS..Hα-helixtrans-66.5-39.8174.3-179.455.9000111.7M244 N245 R246 M251 K252M244-N248 VanDerWaalsContact O-CB 3.25Å; M244-N248 WeakPolarHBondContact O-CB 3.46Å; M244-N248 PolarHBondContact O-N 3.2Å; N245-N248 PolarHBondContact O-N 3.39Å; R246-N248 VanDerWaalsContact C-N 3.31Å; R246-N248 PolarHBondContact O-N 2.99Å; N248-M251 PolarHBondContact O-N 3.32Å; N248-K252 WeakPolarHBondContact ND2-CE 3.41Å; N248-K252 PolarHBondContact ND2-NZ 3.06Å; N248-K252 WeakPolarHBondContact O-CG 3.4Å; N248-K252 PolarHBondContact O-N 3.4Å
249D96.4Very high96.1Very high91 Ų9195.7 Ų95.749%0.48750%0.496SS..Hα-helixtrans-68.7-40.4175.9-67.9-22.9000111.5N245 R246 M251 K252 A253N245-D249 PolarHBondContact O-N 2.91Å; R246-D249 PolarHBondContact O-N 3.26Å; D249-M251 PolarHBondContact O-N 3.25Å; D249-K252 PolarHBondContact O-N 2.89Å; D249-K252 IonicContact OD1-NZ 3.46Å; D249-K252 PolarHBondContact OD1-NZ 3.1Å; D249-A253 PolarHBondContact O-N 3.06Å
250D96Very high96Very high89 Ų8993.9 Ų93.948%0.47649%0.492SS..Hα-helixtrans-60.9-43172-66.7-25.2000111.6R246 T247 K252 A253 V254R246-D250 PolarHBondContact O-N 3.45Å; T247-D250 PolarHBondContact O-N 3.48Å; D250-K252 PolarHBondContact O-N 3.46Å; D250-A253 WeakPolarHBondContact O-CB 3.34Å; D250-A253 PolarHBondContact O-N 3.31Å; D250-V254 WeakPolarHBondContact O-CG2 3.41Å; D250-V254 PolarHBondContact O-N 2.93Å
251M95Very high96Very high129 Ų12993.5 Ų93.564%0.63549%0.489SS*.Hα-helixtrans-62-41.6176.6-173-171.9-56.900111.8T247 N248 D249 V254 Q255T247-M251 VanDerWaalsContact O-CB 3.32Å; T247-M251 WeakPolarHBondContact O-CB 3.41Å; T247-M251 PolarHBondContact O-N 3Å; N248-M251 PolarHBondContact O-N 3.32Å; D249-M251 PolarHBondContact O-N 3.25Å; M251-V254 PolarHBondContact O-N 2.86Å; M251-Q255 VanDerWaalsContact O-CB 3.27Å; M251-Q255 WeakPolarHBondContact O-CB 3.26Å; M251-Q255 PolarHBondContact O-N 2.69Å
252K96.8Very high95.9Very high105 Ų10594.8 Ų94.846%0.45749%0.493SS..Hα-helixtrans-64-40.2174.8-72.6170.6-170.6162.70111.8N248 D249 D250 Q255 N256N248-K252 WeakPolarHBondContact ND2-CE 3.41Å; N248-K252 PolarHBondContact ND2-NZ 3.06Å; N248-K252 WeakPolarHBondContact O-CG 3.4Å; N248-K252 PolarHBondContact O-N 3.4Å; D249-K252 PolarHBondContact O-N 2.89Å; D249-K252 IonicContact OD1-NZ 3.46Å; D249-K252 PolarHBondContact OD1-NZ 3.1Å; D250-K252 PolarHBondContact O-N 3.46Å; K252-Q255 PolarHBondContact O-N 2.88Å; K252-N256 VanDerWaalsContact O-CG 3.25Å; K252-N256 PolarHBondContact O-N 3.42Å; K252-N256 PolarHBondContact O-ND2 3.01Å
253A96.7Very high95.9Very high48 Ų4894.9 Ų94.940%0.39749%0.491SS..Hα-helixtrans-61.4-51176.300000111D249 D250 Q255 N256 D257D249-A253 PolarHBondContact O-N 3.06Å; D250-A253 WeakPolarHBondContact O-CB 3.34Å; D250-A253 PolarHBondContact O-N 3.31Å; A253-Q255 VanDerWaalsContact C-N 3.31Å; A253-Q255 PolarHBondContact O-N 2.85Å; A253-N256 WeakPolarHBondContact O-CB 3.32Å; A253-N256 PolarHBondContact O-N 3.47Å; A253-N256 VanDerWaalsContact O-N 3.13Å; A253-D257 PolarHBondContact O-N 3.49Å
254V95.7Very high95.8Very high98 Ų9894.8 Ų94.859%0.59449%0.49SS*.Hα-helixtrans-61.3-38.7176.9174.20000111.8D250 M251 N256 D257 L258D250-V254 WeakPolarHBondContact O-CG2 3.41Å; D250-V254 PolarHBondContact O-N 2.93Å; M251-V254 PolarHBondContact O-N 2.86Å; V254-N256 VanDerWaalsContact C-N 3.35Å; V254-N256 PolarHBondContact O-N 2.84Å; V254-D257 PolarHBondContact O-N 2.89Å; V254-L258 WeakPolarHBondContact O-CB 3.45Å; V254-L258 PolarHBondContact O-N 2.87Å
255Q96.4Very high95.7Very high104 Ų10492.8 Ų92.849%0.48648%0.481SS..Hα-helixtrans-62.7-42.1175.9-175.962.442.800111.5M251 K252 A253 L258 T259M251-Q255 VanDerWaalsContact O-CB 3.27Å; M251-Q255 WeakPolarHBondContact O-CB 3.26Å; M251-Q255 PolarHBondContact O-N 2.69Å; K252-Q255 PolarHBondContact O-N 2.88Å; A253-Q255 VanDerWaalsContact C-N 3.31Å; A253-Q255 PolarHBondContact O-N 2.85Å; Q255-L258 PolarHBondContact O-N 3.41Å; Q255-T259 VanDerWaalsContact O-CG2 3.31Å; Q255-T259 WeakPolarHBondContact O-CG2 3.48Å; Q255-T259 PolarHBondContact O-N 3.22Å
256N95.9Very high95.6Very high95 Ų9593.2 Ų93.251%0.50849%0.487SS..Hα-helixtrans-62.6-45.6175.6-71.7-27.2000110.9K252 A253 V254 L258 T259 N260K252-N256 VanDerWaalsContact O-CG 3.25Å; K252-N256 PolarHBondContact O-N 3.42Å; K252-N256 PolarHBondContact O-ND2 3.01Å; A253-N256 WeakPolarHBondContact O-CB 3.32Å; A253-N256 PolarHBondContact O-N 3.47Å; A253-N256 VanDerWaalsContact O-N 3.13Å; V254-N256 VanDerWaalsContact C-N 3.35Å; V254-N256 PolarHBondContact O-N 2.84Å; N256-L258 VanDerWaalsContact C-N 3.35Å; N256-L258 PolarHBondContact O-N 3.2Å; N256-T259 PolarHBondContact O-N 2.88Å; N256-T259 PolarHBondContact O-OG1 3.36Å; N256-N260 PolarHBondContact O-N 3.22Å; N256-N260 PolarHBondContact O-ND2 3.46Å
257D95.9Very high95.4Very high107 Ų10787.5 Ų87.557%0.57247%0.474SS*.Hα-helixtrans-60.4-43.6177.7-68.3-18.9000111.8A253 V254 T259 N260 A261A253-D257 PolarHBondContact O-N 3.49Å; V254-D257 PolarHBondContact O-N 2.89Å; D257-T259 PolarHBondContact O-N 2.97Å; D257-N260 PolarHBondContact O-N 3.49Å; D257-A261 PolarHBondContact O-N 2.94Å
258L95.8Very high95.2Very high88 Ų8887.7 Ų87.746%0.46147%0.471SS..Hα-helixtrans-60-46.2175.1-178.763.8000111.6V254 Q255 N256 N260 A261 D262V254-L258 WeakPolarHBondContact O-CB 3.45Å; V254-L258 PolarHBondContact O-N 2.87Å; Q255-L258 PolarHBondContact O-N 3.41Å; N256-L258 VanDerWaalsContact C-N 3.35Å; N256-L258 PolarHBondContact O-N 3.2Å; L258-N260 PolarHBondContact O-N 3.47Å; L258-A261 PolarHBondContact O-N 3.34Å; L258-D262 PolarHBondContact O-N 3.22Å
259T95.6Very high95Very high46 Ų4691.3 Ų91.328%0.28248%0.484SS..Hα-helixtrans-64-31.1177.965.20000112.7Q255 N256 D257 K263Q255-T259 VanDerWaalsContact O-CG2 3.31Å; Q255-T259 WeakPolarHBondContact O-CG2 3.48Å; Q255-T259 PolarHBondContact O-N 3.22Å; N256-T259 PolarHBondContact O-N 2.88Å; N256-T259 PolarHBondContact O-OG1 3.36Å; D257-T259 PolarHBondContact O-N 2.97Å; T259-K263 WeakPolarHBondContact O-CD 3.35Å; T259-K263 WeakPolarHBondContact O-CG 3.36Å; T259-K263 PolarHBondContact O-N 3.36Å; T259-K263 VanDerWaalsContact O-N 3.11Å
260N95.6Very high94.8Very high86 Ų8693.5 Ų93.546%0.4649%0.489SS..Hα-helixtrans-72.2-43.8175.3-70.3-23.8000111.1N256 D257 L258 D262 K263 E264N256-N260 PolarHBondContact O-N 3.22Å; N256-N260 PolarHBondContact O-ND2 3.46Å; D257-N260 PolarHBondContact O-N 3.49Å; L258-N260 PolarHBondContact O-N 3.47Å; N260-D262 VanDerWaalsContact C-N 3.33Å; N260-D262 PolarHBondContact O-N 2.86Å; N260-K263 WeakPolarHBondContact O-CB 3.44Å; N260-K263 PolarHBondContact O-N 2.87Å; N260-K263 PolarHBondContact OD1-NZ 3.32Å; N260-E264 PolarHBondContact O-N 2.88Å
261A94.6Very high94.5Very high41 Ų4195.1 Ų95.134%0.33949%0.492SS..Hα-helixtrans-61.2-40.2173.500000111.9D257 L258 K263 E264 I265D257-A261 PolarHBondContact O-N 2.94Å; L258-A261 PolarHBondContact O-N 3.34Å; A261-K263 PolarHBondContact O-N 3.43Å; A261-E264 CarbonylContact O-C 3.57Å; A261-E264 WeakPolarHBondContact O-CB 3.41Å; A261-E264 PolarHBondContact O-N 3.37Å; A261-I265 WeakPolarHBondContact O-CB 3.45Å; A261-I265 VanDerWaalsContact O-CG1 3.28Å; A261-I265 WeakPolarHBondContact O-CG1 3.3Å; A261-I265 PolarHBondContact O-N 2.88Å
262D94.7Very high94.2Very high84 Ų8493 Ų9345%0.44949%0.486SS..Hα-helixtrans-64-40.2175.4-82.6-28.6000112.4L258 N260 E264 I265 T266L258-D262 PolarHBondContact O-N 3.22Å; N260-D262 VanDerWaalsContact C-N 3.33Å; N260-D262 PolarHBondContact O-N 2.86Å; D262-E264 VanDerWaalsContact C-N 3.31Å; D262-I265 PolarHBondContact O-N 2.9Å; D262-T266 WeakPolarHBondContact O-CB 3.41Å; D262-T266 PolarHBondContact O-N 3.44Å; D262-T266 PolarHBondContact O-OG1 2.93Å
263K95.2Very high93.8Very high128 Ų12892.4 Ų92.456%0.55749%0.485SS*.Hα-helixtrans-62.1-40.1172.3-72166.1-165.7162.60111.2T259 N260 A261 T266 S267T259-K263 WeakPolarHBondContact O-CD 3.35Å; T259-K263 WeakPolarHBondContact O-CG 3.36Å; T259-K263 PolarHBondContact O-N 3.36Å; T259-K263 VanDerWaalsContact O-N 3.11Å; N260-K263 WeakPolarHBondContact O-CB 3.44Å; N260-K263 PolarHBondContact O-N 2.87Å; N260-K263 PolarHBondContact OD1-NZ 3.32Å; A261-K263 PolarHBondContact O-N 3.43Å; K263-T266 VanDerWaalsContact CA-OG1 3.3Å; K263-T266 WeakPolarHBondContact CA-OG1 3.33Å; K263-T266 PolarHBondContact O-OG1 3.23Å; K263-S267 VanDerWaalsContact O-CB 3.29Å; K263-S267 WeakPolarHBondContact O-CB 3.26Å; K263-S267 PolarHBondContact O-N 2.89Å
264E94.8Very high93.2Very high127 Ų12794.7 Ų94.759%0.59349%0.489SS*.Hα-helixtrans-67-46.5176.5-172.6174.5-171.300111.5N260 A261 D262 T266 S267 L268N260-E264 PolarHBondContact O-N 2.88Å; A261-E264 CarbonylContact O-C 3.57Å; A261-E264 WeakPolarHBondContact O-CB 3.41Å; A261-E264 PolarHBondContact O-N 3.37Å; D262-E264 VanDerWaalsContact C-N 3.31Å; E264-T266 PolarHBondContact O-N 2.9Å; E264-S267 WeakPolarHBondContact O-CB 3.22Å; E264-S267 PolarHBondContact O-N 3.33Å; E264-L268 HydrophobicContact CG-CD1 4.04Å; E264-L268 HydrophobicContact CG-CG 4.39Å; E264-L268 WeakPolarHBondContact O-CB 3.38Å; E264-L268 WeakPolarHBondContact O-CG 3.46Å; E264-L268 PolarHBondContact O-N 2.9Å
265I94Very high92.5Very high77 Ų7794 Ų9440%0.39548%0.482SS..Hα-helixtrans-59.5-44.9176-70.6166.2000110.8A261 D262 L268 K269A261-I265 WeakPolarHBondContact O-CB 3.45Å; A261-I265 VanDerWaalsContact O-CG1 3.28Å; A261-I265 WeakPolarHBondContact O-CG1 3.3Å; A261-I265 PolarHBondContact O-N 2.88Å; D262-I265 PolarHBondContact O-N 2.9Å; I265-L268 PolarHBondContact O-N 3.44Å; I265-K269 HydrophobicContact CG2-CD 4.01Å; I265-K269 HydrophobicContact CG2-CG 4.31Å; I265-K269 VanDerWaalsContact O-CB 3.32Å; I265-K269 WeakPolarHBondContact O-CB 3.39Å; I265-K269 VanDerWaalsContact O-CG 3.3Å; I265-K269 WeakPolarHBondContact O-CG 3.25Å; I265-K269 PolarHBondContact O-N 3.16Å
266T93.5Very high91.7Very high90 Ų9094.9 Ų94.955%0.55249%0.486SS*.Hα-helixtrans-65.4-39.6177.238.60000112D262 K263 E264 K270D262-T266 WeakPolarHBondContact O-CB 3.41Å; D262-T266 PolarHBondContact O-N 3.44Å; D262-T266 PolarHBondContact O-OG1 2.93Å; K263-T266 VanDerWaalsContact CA-OG1 3.3Å; K263-T266 WeakPolarHBondContact CA-OG1 3.33Å; K263-T266 PolarHBondContact O-OG1 3.23Å; E264-T266 PolarHBondContact O-N 2.9Å; T266-K270 WeakPolarHBondContact O-CB 3.18Å; T266-K270 PolarHBondContact O-N 3.04Å
267S93Very high91Very high58 Ų5896.4 Ų96.441%0.40649%0.488SS..Hα-helixtrans-60.5-48172.1-179.50000111.9K263 E264 K270 K271K263-S267 VanDerWaalsContact O-CB 3.29Å; K263-S267 WeakPolarHBondContact O-CB 3.26Å; K263-S267 PolarHBondContact O-N 2.89Å; E264-S267 WeakPolarHBondContact O-CB 3.22Å; E264-S267 PolarHBondContact O-N 3.33Å; S267-K270 PolarHBondContact O-N 3.01Å; S267-K271 WeakPolarHBondContact O-CG 3.4Å; S267-K271 PolarHBondContact O-N 3.47Å
268L92Very high89.9Confident84 Ų8494.8 Ų94.844%0.4448%0.482SS..Hα-helixtrans-64.7-43.9177.7-71.6173000111.9E264 I265 K270 K271 V272E264-L268 HydrophobicContact CG-CD1 4.04Å; E264-L268 HydrophobicContact CG-CG 4.39Å; E264-L268 WeakPolarHBondContact O-CB 3.38Å; E264-L268 WeakPolarHBondContact O-CG 3.46Å; E264-L268 PolarHBondContact O-N 2.9Å; I265-L268 PolarHBondContact O-N 3.44Å; L268-K270 VanDerWaalsContact C-N 3.31Å; L268-K270 PolarHBondContact O-N 2.8Å; L268-K271 HydrophobicContact CD2-CD 4.49Å; L268-K271 WeakPolarHBondContact O-CB 3.48Å; L268-K271 PolarHBondContact O-N 3.1Å; L268-K271 VanDerWaalsContact O-N 3.16Å; L268-V272 WeakPolarHBondContact O-CG2 3.49Å; L268-V272 PolarHBondContact O-N 2.63Å
269K91.3Very high88.4Confident143 Ų14396.1 Ų96.162%0.62249%0.489SS*.Hα-helixtrans-57.8-43173.9-79.5179.3177.4178.30111.6I265 V272 E273I265-K269 HydrophobicContact CG2-CD 4.01Å; I265-K269 HydrophobicContact CG2-CG 4.31Å; I265-K269 VanDerWaalsContact O-CB 3.32Å; I265-K269 WeakPolarHBondContact O-CB 3.39Å; I265-K269 VanDerWaalsContact O-CG 3.3Å; I265-K269 WeakPolarHBondContact O-CG 3.25Å; I265-K269 PolarHBondContact O-N 3.16Å; K269-V272 PolarHBondContact O-N 2.98Å; K269-E273 WeakPolarHBondContact O-CB 3.45Å; K269-E273 PolarHBondContact O-N 2.92Å
270K91.8Very high86.9Confident137 Ų13798.2 Ų98.260%0.59651%0.506SS*.Hα-helixtrans-63.7-41.8175.6-171.4176.6-178178.80111.8T266 S267 L268 E273 I274T266-K270 WeakPolarHBondContact O-CB 3.18Å; T266-K270 PolarHBondContact O-N 3.04Å; S267-K270 PolarHBondContact O-N 3.01Å; L268-K270 VanDerWaalsContact C-N 3.31Å; L268-K270 PolarHBondContact O-N 2.8Å; K270-E273 PolarHBondContact O-N 3.26Å; K270-I274 HydrophobicContact CG-CD1 4.24Å; K270-I274 WeakPolarHBondContact O-CD1 3.45Å; K270-I274 VanDerWaalsContact O-CG1 3.24Å; K270-I274 WeakPolarHBondContact O-CG1 3.37Å; K270-I274 PolarHBondContact O-N 3Å
271K90.9Very high85.1Confident122 Ų12298.6 Ų98.653%0.5351%0.511SS..Hα-helixtrans-61.5-46.4173.9-71.2176.6-176.5-179.80111.5S267 L268 I274 L275S267-K271 WeakPolarHBondContact O-CG 3.4Å; S267-K271 PolarHBondContact O-N 3.47Å; L268-K271 HydrophobicContact CD2-CD 4.49Å; L268-K271 WeakPolarHBondContact O-CB 3.48Å; L268-K271 PolarHBondContact O-N 3.1Å; L268-K271 VanDerWaalsContact O-N 3.16Å; K271-I274 PolarHBondContact O-N 2.61Å; K271-L275 VanDerWaalsContact O-CG 3.3Å; K271-L275 WeakPolarHBondContact O-CG 3.38Å; K271-L275 PolarHBondContact O-N 2.81Å
272V87.4Confident82.9Confident84 Ų84102.8 Ų102.851%0.50954%0.535SS..Hα-helixtrans-61.5-43.2176.5171.30000111.1L268 K269 I274 L275 Q276L268-V272 WeakPolarHBondContact O-CG2 3.49Å; L268-V272 PolarHBondContact O-N 2.63Å; K269-V272 PolarHBondContact O-N 2.98Å; V272-I274 PolarHBondContact O-N 2.89Å; V272-L275 PolarHBondContact O-N 3.43Å; V272-Q276 VanDerWaalsContact O-CB 3.29Å; V272-Q276 WeakPolarHBondContact O-CB 3.33Å; V272-Q276 PolarHBondContact O-N 2.74Å
273E88.8Confident80.8Confident94 Ų94105.2 Ų105.244%0.43955%0.553SS.*Hα-helixtrans-61.6-43176.6-172.8-170.6168.500111.9K269 K270 Q276 K277K269-E273 WeakPolarHBondContact O-CB 3.45Å; K269-E273 PolarHBondContact O-N 2.92Å; K270-E273 PolarHBondContact O-N 3.26Å; E273-Q276 PolarHBondContact O-N 2.91Å; E273-K277 HydrophobicContact CG-CD 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.47Å; E273-K277 WeakPolarHBondContact O-CG 2.98Å; E273-K277 PolarHBondContact O-N 3.06Å; E273-K277 WeakPolarHBondContact OE1-CE 3.32Å; E273-K277 IonicContact OE1-NZ 2.65Å; E273-K277 PolarHBondContact OE1-NZ 3.31Å
274I84.9Confident78.7Confident95 Ų95109.2 Ų109.249%0.48757%0.565SS.*Hα-helixtrans-60.4-51.2174.8-68.6163000109.8K270 K271 V272 Q276 K277 T278K270-I274 HydrophobicContact CG-CD1 4.24Å; K270-I274 WeakPolarHBondContact O-CD1 3.45Å; K270-I274 VanDerWaalsContact O-CG1 3.24Å; K270-I274 WeakPolarHBondContact O-CG1 3.37Å; K270-I274 PolarHBondContact O-N 3Å; K271-I274 PolarHBondContact O-N 2.61Å; V272-I274 PolarHBondContact O-N 2.89Å; I274-Q276 VanDerWaalsContact C-N 3.31Å; I274-Q276 PolarHBondContact O-N 3.24Å; I274-K277 PolarHBondContact O-N 3.32Å; I274-T278 PolarHBondContact O-N 3.07Å; I274-T278 PolarHBondContact O-OG1 2.85Å
275L79.7Confident76.9Confident83 Ų83107.5 Ų107.544%0.43556%0.563SS.*Hα-helixtrans-57.4-43.5177.8-70.6170.5000111.6K271 V272 T278 L279 L292K271-L275 VanDerWaalsContact O-CG 3.3Å; K271-L275 WeakPolarHBondContact O-CG 3.38Å; K271-L275 PolarHBondContact O-N 2.81Å; V272-L275 PolarHBondContact O-N 3.43Å; L275-T278 PolarHBondContact O-N 3.13Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.16Å; L275-L279 PolarHBondContact O-N 3.27Å; L275-L292 HydrophobicContact CD2-CD2 3.49Å; L275-L292 VanDerWaalsContact CD2-CD2 3.49Å
276Q81.3Confident75Confident124 Ų124109.5 Ų109.558%0.57957%0.574SS**Hα-helixtrans-67.7-39179.3-167.6172.8-0.700112.3V272 E273 I274 L279 S280V272-Q276 VanDerWaalsContact O-CB 3.29Å; V272-Q276 WeakPolarHBondContact O-CB 3.33Å; V272-Q276 PolarHBondContact O-N 2.74Å; E273-Q276 PolarHBondContact O-N 2.91Å; I274-Q276 VanDerWaalsContact C-N 3.31Å; I274-Q276 PolarHBondContact O-N 3.24Å; Q276-L279 PolarHBondContact O-N 3.09Å; Q276-S280 WeakPolarHBondContact O-CB 3.3Å; Q276-S280 PolarHBondContact O-N 2.83Å; Q276-S280 PolarHBondContact O-OG 2.74Å
277K79.8Confident73.4Confident127 Ų127111.4 Ų111.455%0.55258%0.577SS**Hα-helixtrans-63.8-42.3172.9-78.1178.3-174.91690111.7E273 I274 L279 S280E273-K277 HydrophobicContact CG-CD 4.44Å; E273-K277 WeakPolarHBondContact O-CB 3.47Å; E273-K277 WeakPolarHBondContact O-CG 2.98Å; E273-K277 PolarHBondContact O-N 3.06Å; E273-K277 WeakPolarHBondContact OE1-CE 3.32Å; E273-K277 IonicContact OE1-NZ 2.65Å; E273-K277 PolarHBondContact OE1-NZ 3.31Å; I274-K277 PolarHBondContact O-N 3.32Å; K277-L279 VanDerWaalsContact C-N 3.26Å; K277-L279 PolarHBondContact O-N 3.32Å; K277-S280 PolarHBondContact O-N 3.08Å; K277-S280 VanDerWaalsContact O-N 3.17Å
278T73.1Confident71.7Confident72 Ų72111.1 Ų111.144%0.44258%0.578SS.*Hα-helixtrans-61.7-33.9174.7-57.60000112.2I274 L275 T281 L292I274-T278 PolarHBondContact O-N 3.07Å; I274-T278 PolarHBondContact O-OG1 2.85Å; L275-T278 PolarHBondContact O-N 3.13Å; T278-T281 PolarHBondContact O-OG1 3.35Å; T278-L292 HydrophobicContact CG2-CD1 3.96Å
279L65.4Low69.9Low117 Ų117110.9 Ų110.961%0.61358%0.577SS**Hα-helixtrans-80.3-17.6176.3-68.1169.5000114.2L275 Q276 K277 L289L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.16Å; L275-L279 PolarHBondContact O-N 3.27Å; Q276-L279 PolarHBondContact O-N 3.09Å; K277-L279 VanDerWaalsContact C-N 3.26Å; K277-L279 PolarHBondContact O-N 3.32Å; L279-L289 HydrophobicContact CD2-CD2 3.79Å
280S63.8Low68.2Low89 Ų89107.4 Ų107.462%0.62257%0.571SS**Hα-helixtrans-95.4-7.4-174.3-560000114.6Q276 K277Q276-S280 WeakPolarHBondContact O-CB 3.3Å; Q276-S280 PolarHBondContact O-N 2.83Å; Q276-S280 PolarHBondContact O-OG 2.74Å; K277-S280 PolarHBondContact O-N 3.08Å; K277-S280 VanDerWaalsContact O-N 3.17Å
281T57.6Low66.8Low94 Ų94108.5 Ų108.558%0.57757%0.571SS**SBendtrans-77.9139.7175.833.70000112.4T278 T283T278-T281 PolarHBondContact O-OG1 3.35Å; T281-T283 VanDerWaalsContact C-N 3.33Å; T281-T283 PolarHBondContact O-N 3.47Å
282P48.1Very low65.2Low129 Ų129106 Ų10684%0.83856%0.563SS**SBendtrans-78.4-2-166-12.529.4000116.3R284P282-R284 PolarHBondContact O-N 3.37Å
283T49.7Very low63.7Low135 Ų135107.2 Ų107.283%0.82857%0.571SS**  trans-93.786.4-175.5-32.10000110.4T281T281-T283 VanDerWaalsContact C-N 3.33Å; T281-T283 PolarHBondContact O-N 3.47Å
284R52.4Low62.1Low213 Ų213111.1 Ų111.180%0.80459%0.586SS**  trans-81.4117.1-176.2-171.4-178.7177.2-178.2-0.4111.3P282P282-R284 PolarHBondContact O-N 3.37Å
285T55.4Low60.8Low90 Ų90114.4 Ų114.455%0.55260%0.6SS**  trans-129.8129.8154.555.90000109.5E287 A288T285-E287 PolarHBondContact O-N 2.99Å; T285-A288 PolarHBondContact O-N 3.06Å; T285-A288 VanDerWaalsContact O-N 3.12Å
286N55.6Low59.4Low119 Ų119114.7 Ų114.764%0.63661%0.608SS**Hα-helixtrans-55.2-19.5-178.9-108.4-31000113.4S290N286-S290 PolarHBondContact O-N 3.07Å; N286-S290 PolarHBondContact O-OG 3.34Å
287E59.8Low58Low130 Ų130113.6 Ų113.661%0.60761%0.612SS**Hα-helixtrans-73.6-30-179.8-159175171.400113.2T285 R291T285-E287 PolarHBondContact O-N 2.99Å; E287-R291 PolarHBondContact O-N 3.42Å; E287-R291 IonicContact OE1-NH2 3.73Å
288A57Low56.1Low53 Ų53111.2 Ų111.244%0.43862%0.616SS.*Hα-helixtrans-73.6-35.6176.800000112.4T285 R291 L292T285-A288 PolarHBondContact O-N 3.06Å; T285-A288 VanDerWaalsContact O-N 3.12Å; A288-R291 PolarHBondContact O-N 3.13Å; A288-L292 PolarHBondContact O-N 3.17Å
289L54.3Low54.7Low78 Ų78113 Ų11341%0.40863%0.629SS.*Hα-helixtrans-67.3-37.1174.4-84.3156000112L279 L292 V293L279-L289 HydrophobicContact CD2-CD2 3.79Å; L289-L292 PolarHBondContact O-N 3.42Å; L289-V293 WeakPolarHBondContact O-CG2 3.19Å; L289-V293 PolarHBondContact O-N 3.37Å
290S55.1Low54Low70 Ų70114.1 Ų114.149%0.4964%0.64SS.*Hα-helixtrans-68.7-31.6175.2-63.60000113.2N286 F294N286-S290 PolarHBondContact O-N 3.07Å; N286-S290 PolarHBondContact O-OG 3.34Å; S290-F294 WeakPolarHBondContact O-CD2 3.23Å; S290-F294 PolarHBondContact O-N 3.39Å
291R62Low53.5Low160 Ų160117.6 Ų117.660%0.60465%0.647SS**Hα-helixtrans-72.2-37.5174.1-71-174.3-177.6170.15.7112.8E287 A288 V293 F294 E295E287-R291 PolarHBondContact O-N 3.42Å; E287-R291 IonicContact OE1-NH2 3.73Å; A288-R291 PolarHBondContact O-N 3.13Å; R291-V293 PolarHBondContact O-N 2.96Å; R291-F294 PolarHBondContact O-N 2.73Å; R291-E295 WeakPolarHBondContact O-CB 3.18Å; R291-E295 PolarHBondContact O-N 2.9Å
292L57Low53Low71 Ų71121.3 Ų121.337%0.37266%0.662SS.*Hα-helixtrans-67.3-31.1175.8-99.5133000114.2L275 T278 A288 L289L275-L292 HydrophobicContact CD2-CD2 3.49Å; L275-L292 VanDerWaalsContact CD2-CD2 3.49Å; T278-L292 HydrophobicContact CG2-CD1 3.96Å; A288-L292 PolarHBondContact O-N 3.17Å; L289-L292 PolarHBondContact O-N 3.42Å
293V56.2Low53.1Low109 Ų109122.4 Ų122.466%0.66166%0.656SS**Hα-helixtrans-78.8-25.2175.4174.20000111.9L289 R291L289-V293 WeakPolarHBondContact O-CG2 3.19Å; L289-V293 PolarHBondContact O-N 3.37Å; R291-V293 PolarHBondContact O-N 2.96Å
294F55.4Low53.2Low176 Ų176124.2 Ų124.277%0.77266%0.655SS**Hα-helixtrans-91-24.3177.7-93.5-88.8000114.5S290 R291S290-F294 WeakPolarHBondContact O-CD2 3.23Å; S290-F294 PolarHBondContact O-N 3.39Å; R291-F294 PolarHBondContact O-N 2.73Å
295E59.1Low52.7Low164 Ų164119.5 Ų119.577%0.76665%0.652SS**SBendtrans-86.3-5.6176.2-76.2-177.4177.300114.3R291 P297R291-E295 WeakPolarHBondContact O-CB 3.18Å; R291-E295 PolarHBondContact O-N 2.9Å; E295-P297 WeakPolarHBondContact O-CD 3.31Å
296S50Low52.4Low88 Ų88125.4 Ų125.462%0.61566%0.664SS**SBendtrans-118.878.7168.3-168.40000109.6A298S296-A298 PolarHBondContact O-N 3.37Å
297P50.7Low52.1Low102 Ų102127.3 Ų127.366%0.66267%0.674SS**  trans-56.8127.4167-11.124.5000107.3E295E295-P297 WeakPolarHBondContact O-CD 3.31Å
298A41.2Very low51.3Low76 Ų76129.6 Ų129.663%0.62868%0.684SS**  trans-50.1131.3162.200000107.3S296 V300S296-A298 PolarHBondContact O-N 3.37Å; A298-V300 PolarHBondContact O-N 3.16Å
299P42.9Very low50.8Low111 Ų111134 Ų13472%0.72170%0.695SS**  trans-63.8104.2-179.523.9-29.6000108Q301P299-Q301 PolarHBondContact O-N 2.93Å
300V51.1Low50.4Low139 Ų139135.3 Ų135.384%0.84271%0.709SS**SBendtrans-74.964.9165.1-176.60000106.8A298A298-V300 PolarHBondContact O-N 3.16Å
301Q53Low50.2Low163 Ų163136.9 Ų136.976%0.76273%0.726SS**  trans-176.979.1168.7-100.3152.23100106.5P299 Q303P299-Q301 PolarHBondContact O-N 2.93Å; Q301-Q303 PolarHBondContact O-N 3.26Å
302L47.2Very low49.8Very low171 Ų171136.7 Ų136.790%0.89574%0.737SS**  trans-62.592.6152.8-73167.4000106Q304L302-Q304 PolarHBondContact O-N 3.3Å
303Q51Low49.1Very low152 Ų152136.3 Ų136.371%0.7174%0.74SS**PPolyproline II helixtrans-59.9123157-76.3-1604.200106Q301Q301-Q303 PolarHBondContact O-N 3.26Å
304Q49.9Very low48.8Very low173 Ų173139.7 Ų139.781%0.80875%0.749SS**PPolyproline II helixtrans-48.3137.2169.2-83.6174-24.200108.4L302 R306L302-Q304 PolarHBondContact O-N 3.3Å; Q304-R306 PolarHBondContact O-N 2.88Å
305P42.9Very low48.5Very low114 Ų114138.8 Ų138.874%0.7475%0.752SS**PPolyproline II helixtrans-54.3122.717321.9-29.6000107.3L307P305-L307 PolarHBondContact O-N 3.46Å
306R49.1Very low48.3Very low214 Ų214137.8 Ų137.881%0.80875%0.751SS**  trans-64.393.1170.2-73.2-166.1178.3-166.2-0.6106.8Q304 H308Q304-R306 PolarHBondContact O-N 2.88Å; R306-H308 VanDerWaalsContact C-N 3.31Å; R306-H308 PolarHBondContact O-N 2.82Å
307L48.2Very low48.6Very low160 Ų160138.3 Ų138.384%0.83875%0.746SS**  trans-59.2104.6158.6-68.9170.8000105P305 Q309P305-L307 PolarHBondContact O-N 3.46Å; L307-Q309 PolarHBondContact O-N 2.65Å
308H43.6Very low49Very low178 Ų178141.1 Ų141.182%0.82476%0.755SS**  trans-57.6108.7168.1-95.1-83.9000107.4R306R306-H308 VanDerWaalsContact C-N 3.31Å; R306-H308 PolarHBondContact O-N 2.82Å
309Q47Very low49.8Very low145 Ų145144.1 Ų144.168%0.67876%0.761SS**  trans-74123.3165.7-164166.79.600106.9L307 S313L307-Q309 PolarHBondContact O-N 2.65Å; Q309-S313 PolarHBondContact NE2-OG 3.31Å
310P46.5Very low50.3Low106 Ų106144.2 Ų144.269%0.68875%0.753SS**  trans-60.5143.4177-20.231.4000110.4N312P310-N312 PolarHBondContact O-N 3.42Å
311A49.6Very low50.4Low103 Ų103143.6 Ų143.685%0.85175%0.749SS**SBendtrans-66.614.9-168.400000117
312N54.1Low50.2Low155 Ų155143.2 Ų143.283%0.82975%0.746SS**  trans-133.650.4176.2-68.98000111.5P310 E314P310-N312 PolarHBondContact O-N 3.42Å; N312-E314 PolarHBondContact O-N 3.37Å
313S41.9Very low50.3Low64 Ų64142.8 Ų142.845%0.44874%0.744SS.*  trans-88.790167.9174.70000108.5Q309 D315Q309-S313 PolarHBondContact NE2-OG 3.31Å; S313-D315 PolarHBondContact O-N 3.22Å
314E49.6Very low49.8Very low179 Ų179142.5 Ų142.584%0.83675%0.746SS**  trans-64.5129159.1-71.3-178171.700107.7N312 I316N312-E314 PolarHBondContact O-N 3.37Å; E314-I316 PolarHBondContact O-N 3.27Å
315D49.1Very low49.7Very low158 Ų158140.4 Ų140.485%0.84575%0.745SS**  trans-51.3117.7179.7-75.1-43.6000110.9S313 D317S313-D315 PolarHBondContact O-N 3.22Å; D315-D317 PolarHBondContact O-N 2.94Å
316I55.2Low49.6Very low143 Ų143141.2 Ų141.273%0.73375%0.748SS**  trans-82.599167.6-59.3172.6000106.6E314 L318E314-I316 PolarHBondContact O-N 3.27Å; I316-L318 HydrophobicContact CG2-CD2 3.93Å; I316-L318 HydrophobicContact CG2-CG 4.27Å; I316-L318 PolarHBondContact O-N 2.75Å; I316-L318 VanDerWaalsContact O-N 3.15Å
317D56Low49.3Very low98 Ų98136.6 Ų136.652%0.52475%0.746SS.*  trans-68.4104.4166.7-176.56000109.4D315 N319 M320D315-D317 PolarHBondContact O-N 2.94Å; D317-N319 PolarHBondContact O-N 3.46Å; D317-N319 VanDerWaalsContact O-N 3.13Å; D317-N319 PolarHBondContact OD1-N 2.92Å; D317-M320 HydrophobicContact CB-SD 4.44Å
318L59Low48.8Very low161 Ų161136.7 Ų136.784%0.84375%0.747SS**THydrogen-bonded Turntrans-75.312.7178.7-70.1171.1000113.4I316I316-L318 HydrophobicContact CG2-CD2 3.93Å; I316-L318 HydrophobicContact CG2-CG 4.27Å; I316-L318 PolarHBondContact O-N 2.75Å; I316-L318 VanDerWaalsContact O-N 3.15Å
319N58.8Low48.5Very low140 Ų140135.4 Ų135.475%0.74975%0.746SS**THydrogen-bonded Turntrans-121.312175.2-115.34.2000114.7D317 T321D317-N319 PolarHBondContact O-N 3.46Å; D317-N319 VanDerWaalsContact O-N 3.13Å; D317-N319 PolarHBondContact OD1-N 2.92Å; N319-T321 PolarHBondContact O-N 3.09Å; N319-T321 VanDerWaalsContact O-N 3.08Å
320M52.9Low48Very low112 Ų112134.5 Ų134.555%0.55275%0.75SS**  trans-79.991.6170.1-88.2173.557.200111.4D317 F322D317-M320 HydrophobicContact CB-SD 4.44Å; M320-F322 HydrophobicContact CB-CD2 4.4Å; M320-F322 HydrophobicContact CB-CE2 4Å; M320-F322 HydrophobicContact CE-CE1 4.02Å; M320-F322 HydrophobicContact CE-CE2 3.42Å; M320-F322 VanDerWaalsContact CE-CE2 3.42Å; M320-F322 HydrophobicContact CE-CZ 3.06Å; M320-F322 PolarHBondContact O-N 2.9Å
321T54.2Low47.6Very low126 Ų126135.5 Ų135.577%0.77375%0.749SS**  trans-62.9111.5163.9-43.80000109.1N319N319-T321 PolarHBondContact O-N 3.09Å; N319-T321 VanDerWaalsContact O-N 3.08Å
322F49.4Very low47Very low156 Ų156139.2 Ų139.268%0.68475%0.746SS**  trans-102.4114.8165.2-72.5-76.7000109.3M320 I324M320-F322 HydrophobicContact CB-CD2 4.4Å; M320-F322 HydrophobicContact CB-CE2 4Å; M320-F322 HydrophobicContact CE-CE1 4.02Å; M320-F322 HydrophobicContact CE-CE2 3.42Å; M320-F322 VanDerWaalsContact CE-CE2 3.42Å; M320-F322 HydrophobicContact CE-CZ 3.06Å; M320-F322 PolarHBondContact O-N 2.9Å; F322-I324 PolarHBondContact O-N 2.76Å
323D47.8Very low46.1Very low161 Ų161143.3 Ų143.386%0.86175%0.75SS**  trans-64.297.5169.6-91.9-30.7000109.6
324I42.1Very low45.6Very low147 Ų147144.9 Ų144.975%0.75477%0.767SS**  trans-87.8110.4164.9-60.5173.5000106.5F322 T326F322-I324 PolarHBondContact O-N 2.76Å; I324-T326 PolarHBondContact O-N 2.94Å
325T46.9Very low44.8Very low128 Ų128141.1 Ų141.179%0.78576%0.76SS**PPolyproline II helixtrans-65.6120.8168.4-12.90000108.1P327T325-P327 VanDerWaalsContact O-CD 3.29Å; T325-P327 WeakPolarHBondContact O-CD 3.45Å
326T40.5Very low44.2Very low131 Ų131142 Ų14280%0.80476%0.759SS**PPolyproline II helixtrans-80.2122.9172.2-48.30000110I324I324-T326 PolarHBondContact O-N 2.94Å
327P43.7Very low43.3Very low118 Ų118142 Ų14277%0.76677%0.766SS**PPolyproline II helixtrans-102.6149.3155.5-1.123.5000111T325T325-P327 VanDerWaalsContact O-CD 3.29Å; T325-P327 WeakPolarHBondContact O-CD 3.45Å
328D36.8Very low42.5Very low161 Ų161143 Ų14386%0.86178%0.778SS**PPolyproline II helixtrans-64.6159.5-156.5-125.3-28.4000117.5
329L38.1Very low41.4Very low152 Ų152140.8 Ų140.880%0.79678%0.776SS**PPolyproline II helixtrans-65170.9172.1-85.6162.8000113.1
330V35.5Very low40.1Very low125 Ų125143.5 Ų143.576%0.75878%0.781SS**  trans104.6112.3161.7-170.50000111.9
331D37.8Very low39.2Very low128 Ų128146.9 Ų146.968%0.68479%0.792SS**  cis-170164.126.3-134-19.7000114.3
332K38Very low38.1Very low181 Ų181148.6 Ų148.679%0.78779%0.794SS**  trans98.684.8156.8-65.1165-171.9-178.70121.1
333R34.8Very low37.3Very low240 Ų240151.4 Ų151.491%0.90680%0.8SS**  28.4111122.2-65.9-176.5-176.3-175.21.1117.6
334A31.5Very low36.4Very low98 Ų98151 Ų15181%0.8180%0.796SS**  98.8137.382.700000110.8
335S33.3Very low36Very low99 Ų99151.4 Ų151.469%0.69280%0.801SS**  cis-168154.5-5.2-142.50000108
336Q36.3Very low35.7Very low177 Ų177151.1 Ų151.183%0.82780%0.801SS**  trans63.2114.4147.3-70.9175.6-1.200121.3
337V36.6Very low35.2Very low144 Ų144148.7 Ų148.787%0.87379%0.794SS**  trans-116.9125.4148.6-176.80000107.7
338P38.7Very low34.4Very low119 Ų119149.2 Ų149.277%0.77380%0.795SS**  trans-102.1144.4169.934.2-25.9000112.8
339S35.4Very low34.1Very low114 Ų114148.8 Ų148.880%0.79779%0.792SS**  trans-72.8145173.2-31.60000112.7
340K32.9Very low33.6Very low196 Ų196146.8 Ų146.885%0.85279%0.79SS**  160.7134.9119.7-100.6176.3172.4170.40114.3
341K32.8Very low33.3Very low183 Ų183146.2 Ų146.280%0.79679%0.792SS**  trans25.5134.8137-64.8-163.9175.4-173.70122.5
342M31.2Very low32.8Very low163 Ų163145.3 Ų145.380%0.80380%0.796SS**  trans64110.4133.9-78.717459.700122.1
343R32Very low32.9Very low215 Ų215141.9 Ų141.981%0.81179%0.792SS**  68.8114.6120.4-134.3-162.6-170.4-167.33.7119.9
344L29.2Very low32.6Very low151 Ų151136.1 Ų136.179%0.79178%0.784SS**  148.3130.9117.5-79.4169.8000111.1
345D34.4Very low32.6Very low157 Ų157140 Ų14084%0.8478%0.783SS**  trans-56154.2169.3-88.2-38000112.5
346P40.5Very low32.4Very low121 Ų121143.2 Ų143.279%0.78679%0.786SS**  -156.4163.474.838.8-16.4000119.4
347A29Very low32.1Very low80 Ų80144.6 Ų144.666%0.66178%0.784SS**  trans62.3114.1141.900000123.1
348T28Very low32Very low129 Ų129143.5 Ų143.579%0.79177%0.773SS**  88.5137125.7650000123.1
349L30.4Very low31.7Very low153 Ų153143.3 Ų143.380%0.80177%0.774SS**  trans97.2118.6150-61.5-174.9000121.3
350S27.7Very low31.4Very low109 Ų109142.3 Ų142.376%0.76277%0.773SS**  trans78.2138.4139.6-550000117
351S28.5Very low31.2Very low113 Ų113137.9 Ų137.979%0.7977%0.767SS**  cis-167.8147.322.543.70000110.9
352S27.7Very low31Very low110 Ų110139.3 Ų139.377%0.76977%0.774SS**  trans-59.4172.3159.1-18.90000112.1
353P40.1Very low30.9Very low108 Ų108134.6 Ų134.670%0.70177%0.767SS**  -155.5154.463.437.4-13.3000117.2
354T29.4Very low30.9Very low119 Ų119129.6 Ų129.673%0.7377%0.765SS**  144.1141.5108.151.50000105.4
355K29.9Very low30.9Very low181 Ų181132.1 Ų132.179%0.78777%0.769SS**  cis-158.8135.640.7-77.9-176.5174171.80109.2
356H29.2Very low30.6Very low166 Ų166128.8 Ų128.877%0.76976%0.764SS**  55.3143.3117.1-78.4-82.5000118
357R30.7Very low30.1Very low205 Ų205132.9 Ų132.977%0.77476%0.763SS**  cis179.7136.7-6.8-143.6-171.5167.6-173.3-6.8102.7
358D33.9Very low30.1Very low122 Ų122134.7 Ų134.765%0.65276%0.758SS**  174.2122.388.8-81-36.6000106.4
359S32.1Very low30.2Very low114 Ų114135.9 Ų135.980%0.79776%0.755SS**  50130.797.5880000115.2
360A29.4Very low30Very low94 Ų94136.3 Ų136.378%0.77775%0.753SS**  cis-165.2150.316.700000112.8
361S29.6Very low30.4Very low103 Ų103137.2 Ų137.272%0.7275%0.753SS**  trans35.2122.8136.9-170.10000123
362F29Very low31.2Very low213 Ų213136.5 Ų136.593%0.93475%0.746SS**  168132.1120.9-103-82.5000105.3
363G27.5Very low31.3Very low64 Ų64140 Ų14066%0.6675%0.752SS**  cis149.1114.610.700000106.5
364S31.8Very low30.8Very low109 Ų109137.8 Ų137.876%0.76275%0.749SS**  trans88.2115.4152.4-55.90000122.6
365K29.6Very low30.9Very low205 Ų205137.6 Ų137.689%0.89175%0.748SS**  trans73.2136.2133.3-66.7178.2178.4-178.70118
366A28.4Very low31Very low87 Ų87138.5 Ų138.572%0.71975%0.752SS**  cis-161130.3-000000106
367R30.2Very low31.3Very low206 Ų206139.8 Ų139.878%0.77776%0.756SS**  51106.5104.7-102.2-157.8162.5-150.7-18.7113.7
368E29.2Very low31.3Very low119 Ų119140.8 Ų140.856%0.55676%0.759SS**  96.6142.891.3-102.3177.4-151.500108.4
369E29Very low31.3Very low154 Ų154141.5 Ų141.572%0.7276%0.763SS**  cis-159136.638.7-89.1-155.3138.900108.6
370E27.3Very low31.4Very low162 Ų162140.5 Ų140.576%0.75776%0.756SS**  84.7110.4101-60.4-104.813300114.9
371V36.2Very low31.8Very low127 Ų127142.7 Ų142.777%0.7775%0.753SS**  trans-81152.5151.2-174.80000106.1
372P44.4Very low32Very low98 Ų98144.9 Ų144.964%0.63676%0.756SS**  -153.7154.3102.632.4-11.8000116.7
373M29.8Very low32.4Very low185 Ų185144.5 Ų144.591%0.91176%0.755SS**  trans40.9140.1141.8-72.7-175.4-90.300120.1
374G30.8Very low32.7Very low61 Ų61151.1 Ų151.163%0.62976%0.76SS**  cis145.5138.916.600000108.8
375T31.4Very low32.8Very low115 Ų115153.5 Ų153.571%0.70676%0.756SS**  trans76.8125.3160.6-32.50000118.4
376F31.9Very low33.1Very low200 Ų200153.6 Ų153.688%0.87776%0.757SS**  174.1138122.3-86.2-65.2000111.6
377F34.6Very low33.4Very low193 Ų193155.4 Ų155.485%0.84676%0.759SS**  trans-73.2147.8-178.1-80.2-101.3000114.1
378R32.4Very low33.5Very low225 Ų225155.6 Ų155.685%0.84977%0.766SS**  172.7127.3128.8-105.5-179.7166.8-168.5-2.5113.4
379N32.8Very low33.6Very low138 Ų138153.3 Ų153.374%0.73877%0.774SS**  33.5142.8123.8-58.1-2.9000119
380S34.8Very low33.7Very low92 Ų92151.6 Ų151.664%0.64378%0.779SS**  cis167.4163.7-10.445.70000106.1
381I36.5Very low34.1Very low140 Ų140151.5 Ų151.572%0.71878%0.781SS**  trans87.1111.4150.8-45.5-170.7000121
382L35.3Very low34Very low149 Ų149152.7 Ų152.778%0.7878%0.782SS**  trans57.2132.6136.9-52.6168.7000123.4
383F36.4Very low33.4Very low206 Ų206155.3 Ų155.390%0.90479%0.791SS**  -171.9105.3121.9-95.8-75.2000108.5
384R34.6Very low33.8Very low202 Ų202151.5 Ų151.576%0.76278%0.78SS**  66.8119.994.8-108.4-164.2-174.9-152.32.7117.7
385K34.1Very low34.3Very low160 Ų160157.6 Ų157.670%0.69679%0.792SS**  trans70.3124.2144.6-80.4-178.2169.9-175.30119.9
386K35Very low34.4Very low206 Ų206163.1 Ų163.190%0.89680%0.8SS**  -161.2129.7100.2-99.4170.3-173.6-179.50111.9
387T35.5Very low34.6Very low125 Ų125158.9 Ų158.977%0.76780%0.795SS**  trans-105.2128.3166.443.70000108.4
388F32.3Very low34.8Very low210 Ų210159.4 Ų159.492%0.92180%0.797SS**  trans-162.2129.9157.6-93.1-83.3000103.3
389G31.3Very low35.3Very low71 Ų71156.8 Ų156.873%0.73280%0.799SS**  cis116.2119.423.900000108.5
390S29.8Very low36.2Very low118 Ų118153.2 Ų153.283%0.82580%0.795SS**  trans89.8103.9172.3-154.60000116.2
391M36.6Very low36.9Very low160 Ų160152.6 Ų152.679%0.78880%0.795SS**  73.4126.780.1-88.7-161.966.400115.2
392L34.2Very low37.8Very low153 Ų153149.5 Ų149.580%0.80178%0.783SS**  trans99.194.3167.2-52.8-179.6000117.9
393D31.1Very low39Very low152 Ų152150.6 Ų150.681%0.81378%0.776SS**  trans57.3157.4146-113.411000120.7
394P38.8Very low40.4Very low105 Ų105143.8 Ų143.868%0.68275%0.754SS**  cis-128.8159.613.629.2-6.5000117R396P394-R396 PolarHBondContact O-N 3.39Å
395Q40.4Very low42.2Very low190 Ų190135.1 Ų135.189%0.88873%0.728SS**  trans-47.3100.8157.5-80.8-163.7-60.100111.5
396R33.9Very low43.7Very low231 Ų231135.1 Ų135.187%0.87273%0.725SS**  trans-14687148.5-74.9-163.5179.2-173.4-0.3108.1P394 K398P394-R396 PolarHBondContact O-N 3.39Å; R396-K398 PolarHBondContact O-N 2.73Å
397S37.1Very low45.4Very low111 Ų111129 Ų12978%0.77670%0.702SS**  trans-63.1103.2168.155.70000108.7L399S397-L399 PolarHBondContact O-N 3.1Å
398K38.2Very low46.7Very low204 Ų204125.5 Ų125.589%0.88769%0.691SS**  trans-57.2117.9165.5-78.3179.7175.8178.80108.2R396 G400R396-K398 PolarHBondContact O-N 2.73Å; K398-G400 PolarHBondContact O-N 3.02Å
399L43.1Very low48.2Very low170 Ų170123.4 Ų123.489%0.8969%0.688SS**SBendtrans-61.3128.1164.3-98.681000109S397S397-L399 PolarHBondContact O-N 3.1Å
400G50.6Low49.4Very low63 Ų63122.8 Ų122.865%0.64968%0.682SS**  trans77.585.3162.900000116K398K398-G400 PolarHBondContact O-N 3.02Å
401A50.8Low50.9Low79 Ų79118.4 Ų118.465%0.65366%0.656SS**  trans-96.3120.416400000110.3
402V54.3Low52.3Low75 Ų75120.3 Ų120.346%0.45565%0.654SS.*EExtended strand (participates in β ladder)trans-75.2121.1173.8177.30000109.2K414 F416V402-K414 HydrophobicContact CG1-CB 3.7Å; V402-K414 HydrophobicContact CG1-CD 4.09Å; V402-K414 HydrophobicContact CG1-CG 4.16Å; V402-F416 HydrophobicContact CG2-CD1 3.74Å; V402-F416 HydrophobicContact CG2-CE1 3.25Å; V402-F416 HydrophobicContact CG2-CZ 3.76Å
403R61.8Low54Low172 Ų172116.6 Ų116.665%0.64964%0.638SS**EExtended strand (participates in β ladder)trans-109.4142.8172.8-60.4-169.695.3-141.86.1110.2K414 F415R403-K414 WeakPolarHBondContact O-CA 3.18Å; R403-F415 PolarHBondContact N-O 2.78Å; R403-F415 PolarHBondContact O-N 3.04Å; R403-F415 VanDerWaalsContact O-N 3.11Å
404S65.4Low55.9Low62 Ų62116.9 Ų116.943%0.43463%0.632SS.*EExtended strand (participates in β ladder)trans-95.7121.8172.8-172.10000108.9
405G70.9Confident57.2Low21 Ų21117.5 Ų117.522%0.21662%0.624CS.*EExtended strand (participates in β ladder)trans-131.5157.1-178.200000111.6R412 T413G405-R412 CarbonylContact O-C 3.6Å; G405-R412 VanDerWaalsContact O-CA 3.29Å; G405-R412 WeakPolarHBondContact O-CA 3.45Å; G405-T413 PolarHBondContact N-O 3.19Å; G405-T413 PolarHBondContact O-N 3.28Å
406Y65.6Low57.9Low160 Ų160115.8 Ų115.863%0.62761%0.614SS**EExtended strand (participates in β ladder)trans-73.3126.9175.5-174.2-106.7000109.4G410 G411Y406-G410 WeakPolarHBondContact OH-CA 3.5Å; Y406-G410 PolarHBondContact OH-N 3.13Å; Y406-G411 WeakPolarHBondContact CA-O 3.33Å; Y406-G411 WeakPolarHBondContact CD2-O 3.41Å
407D71.3Confident58.8Low76 Ų76111.2 Ų111.241%0.40660%0.602SS.*  trans-93.97.7-17160.515.3000114.2L409 G411 T413D407-L409 PolarHBondContact O-N 3.11Å; D407-L409 PolarHBondContact OD1-N 2.9Å; D407-L409 VanDerWaalsContact OD1-N 3.17Å; D407-G411 PolarHBondContact N-O 3.47Å; D407-G411 PolarHBondContact OD1-N 2.84Å; D407-T413 PolarHBondContact OD2-OG1 2.84Å
408G64.2Low59.4Low53 Ų53111.4 Ų111.455%0.54660%0.601SS.*SBendtrans77.72176.500000114.9
409L63.6Low59.9Low165 Ų165106.5 Ų106.586%0.86459%0.592SS**SBendtrans-118.421.9176.6-63.4178.3000112.8D407D407-L409 PolarHBondContact O-N 3.11Å; D407-L409 PolarHBondContact OD1-N 2.9Å; D407-L409 VanDerWaalsContact OD1-N 3.17Å
410G56.5Low60Low58 Ų58102.8 Ų102.860%0.59858%0.578SS**SBendtrans88.53.6-179.700000114.8Y406Y406-G410 WeakPolarHBondContact OH-CA 3.5Å; Y406-G410 PolarHBondContact OH-N 3.13Å
411G60.9Low59.9Low27 Ų27107.2 Ų107.228%0.27859%0.586SS.*  trans-115162.8179.400000114.1Y406 D407Y406-G411 WeakPolarHBondContact CA-O 3.33Å; Y406-G411 WeakPolarHBondContact CD2-O 3.41Å; D407-G411 PolarHBondContact N-O 3.47Å; D407-G411 PolarHBondContact OD1-N 2.84Å
412R66.1Low59.8Low199 Ų199108.2 Ų108.275%0.75159%0.589SS**EExtended strand (participates in β ladder)trans-110.8118.6165.4-78.1-171.8-179.4-160.41.3109.4G405G405-R412 CarbonylContact O-C 3.6Å; G405-R412 VanDerWaalsContact O-CA 3.29Å; G405-R412 WeakPolarHBondContact O-CA 3.45Å
413T68.6Low59.4Low75 Ų75111.2 Ų111.246%0.4660%0.602SS.*EExtended strand (participates in β ladder)trans-120.9144.2-175.8-53.90000110.2G405 D407G405-T413 PolarHBondContact N-O 3.19Å; G405-T413 PolarHBondContact O-N 3.28Å; D407-T413 PolarHBondContact OD2-OG1 2.84Å
414K71.7Confident58.7Low158 Ų158109.7 Ų109.769%0.68761%0.605SS**EExtended strand (participates in β ladder)trans-92.4125.7-177.1-70.3-178.7-174.9177.10110V402 R403V402-K414 HydrophobicContact CG1-CB 3.7Å; V402-K414 HydrophobicContact CG1-CD 4.09Å; V402-K414 HydrophobicContact CG1-CG 4.16Å; R403-K414 WeakPolarHBondContact O-CA 3.18Å
415F66.3Low57.9Low119 Ų119117.7 Ų117.752%0.52263%0.626SS.*EExtended strand (participates in β ladder)trans-133.2158.5177.564.3-90000112.6R403R403-F415 PolarHBondContact N-O 2.78Å; R403-F415 PolarHBondContact O-N 3.04Å; R403-F415 VanDerWaalsContact O-N 3.11Å
416F55.9Low56.4Low154 Ų154122.1 Ų122.168%0.67565%0.651SS**EExtended strand (participates in β ladder)trans-91.4123.2176.5-62.5-86.6000109.2V402 P418V402-F416 HydrophobicContact CG2-CD1 3.74Å; V402-F416 HydrophobicContact CG2-CE1 3.25Å; V402-F416 HydrophobicContact CG2-CZ 3.76Å; F416-P418 WeakPolarHBondContact O-CD 3.43Å
417Q52.6Low55.1Low134 Ų134122.2 Ų122.263%0.62666%0.661SS**PPolyproline II helixtrans-84.6120.6178-175174.4-1000109.8
418P49Very low53.5Low115 Ų115127.2 Ų127.275%0.74769%0.685SS**PPolyproline II helixtrans-66.4142.4172.4-15.229.2000110.8F416F416-P418 WeakPolarHBondContact O-CD 3.43Å
419S49.9Very low52.3Low101 Ų101132.8 Ų132.871%0.70670%0.698SS**PPolyproline II helixtrans-62150.8176.6-60.60000111.9
420P45.2Very low51.1Low92 Ų92131.4 Ų131.460%0.59770%0.697SS**PPolyproline II helixtrans-60.3139.7-178.3-17.730.3000111.8S422P420-S422 PolarHBondContact O-N 3.26Å
421L48.1Very low50.3Low156 Ų156133.3 Ų133.382%0.81771%0.707SS**G310 helixtrans-64.32-176.9-66.3174000115D423L421-D423 VanDerWaalsContact C-N 3.34Å; L421-D423 PolarHBondContact O-N 2.92Å
422S48Very low49.2Very low100 Ų100141.7 Ų141.770%0.69974%0.736SS**G310 helixtrans-78.8-7.7-177.941.10000115P420P420-S422 PolarHBondContact O-N 3.26Å
423D46Very low48Very low139 Ų139144.1 Ų144.174%0.74375%0.745SS**G310 helixtrans-103.57.3-175.8-70.2-23.1000115.1L421 R425L421-D423 VanDerWaalsContact C-N 3.34Å; L421-D423 PolarHBondContact O-N 2.92Å; D423-R425 PolarHBondContact O-N 3.04Å
424I46Very low46.7Very low139 Ų139149.9 Ų149.971%0.71376%0.764SS**  trans-94.389.8177.8-51.5175.2000109.4
425R48.9Very low45.4Very low231 Ų231152.7 Ų152.787%0.87278%0.776SS**PPolyproline II helixtrans-90.5129171.1-160-178.1-112.6-177.7-2.2110.1D423D423-R425 PolarHBondContact O-N 3.04Å
426P39.7Very low44.2Very low113 Ų113153.5 Ų153.573%0.73479%0.79SS**PPolyproline II helixtrans-68.7132.4175.3-16.429.3000111.7M428P426-M428 PolarHBondContact O-N 3.05Å
427L38.7Very low43.6Very low162 Ų162151.3 Ų151.385%0.84879%0.794SS**PPolyproline II helixtrans-69.4123.9172.2-75.1164.2000110.3M429L427-M429 PolarHBondContact O-N 3.45Å
428M38.5Very low43Very low182 Ų182156.5 Ų156.590%0.89781%0.808SS**PPolyproline II helixtrans-72.3119.4175.1-59.1-165.688.700110.5P426P426-M428 PolarHBondContact O-N 3.05Å
429M38.4Very low42.9Very low169 Ų169156.7 Ų156.783%0.83381%0.809SS**PPolyproline II helixtrans-78120.5173.4-72.9-78.3102.700110.3L427 A431L427-M429 PolarHBondContact O-N 3.45Å; M429-A431 PolarHBondContact O-N 3.47Å
430T39.2Very low43Very low137 Ų137156.1 Ų156.184%0.8481%0.811SS**  trans-81106.8171.249.30000109.7K432T430-K432 PolarHBondContact O-N 3.46Å
431A37.6Very low43.2Very low97 Ų97157.5 Ų157.580%0.80282%0.82SS**  trans-78.2102.8177.800000111.2M429M429-A431 PolarHBondContact O-N 3.47Å
432K38.9Very low43.1Very low203 Ų203156 Ų15688%0.88382%0.819SS**  trans-83.9105.6160.4-76.7-175.1178178.20109T430 K434T430-K432 PolarHBondContact O-N 3.46Å; K432-K434 PolarHBondContact O-N 2.94Å
433R41.6Very low42.9Very low251 Ų251160.7 Ų160.795%0.94783%0.827SS**  trans-64.3110.9171.9-79.2177.9168.4170.2-3.6110.3
434K40Very low43.1Very low196 Ų196162.2 Ų162.285%0.85283%0.834SS**  trans-96.8120.3157.9-89.9-176174.2-179.10108.6K432K432-K434 PolarHBondContact O-N 2.94Å
435K45.8Very low43Very low217 Ų217161 Ų16194%0.94384%0.837SS**  trans-71.5121.4168.5-74.1-179.3176.5-1790108.1
436V39.7Very low42.9Very low135 Ų135156.4 Ų156.482%0.81884%0.835SS**  trans-119.8119.7168.4178.90000107.4
437S43.4Very low43Very low109 Ų109156.4 Ų156.476%0.76284%0.836SS**PPolyproline II helixtrans-73.3141174.246.40000111
438R41.4Very low43.7Very low242 Ų242156.1 Ų156.191%0.91384%0.835SS**PPolyproline II helixtrans-71.2132.6-179-156.6-179.5-162.6-169.73.8111
439P45.2Very low45Very low119 Ų119152 Ų15277%0.77382%0.82SS**PPolyproline II helixtrans-75.7147.2166.4-8.525.1000111
440A52Low45.5Very low90 Ų90152.1 Ų152.174%0.74482%0.823SS**PPolyproline II helixtrans-69.1153.6175.400000112.1
441P49.6Very low46.3Very low120 Ų120152.5 Ų152.578%0.77982%0.82SS**PPolyproline II helixtrans-75.1140.4-177.130.5-32.7000111.4
442P47Very low47Very low125 Ų125151.9 Ų151.981%0.81281%0.81SS**PPolyproline II helixtrans-76.1149171.431.1-30.7000110.9
443K44.3Very low47.4Very low199 Ų199152.2 Ų152.287%0.86581%0.807SS**PPolyproline II helixtrans-61.8140.1-180-65.7175.3178.6178.30111.1S445K443-S445 PolarHBondContact O-N 2.78Å
444I48.9Very low47.9Very low171 Ų171148.3 Ų148.388%0.87780%0.804SS**PPolyproline II helixtrans-62.8120.7176.9-62.3158.5000108.9
445S44.1Very low48Very low112 Ų112152 Ų15278%0.78382%0.824SS**PPolyproline II helixtrans-103.3137.3163.1-65.50000109K443K443-S445 PolarHBondContact O-N 2.78Å
446T46Very low48.1Very low136 Ų136148.7 Ų148.783%0.83482%0.818SS**PPolyproline II helixtrans-51.9133-169.1-4.60000114.1L448T446-L448 PolarHBondContact O-N 2.84Å
447C42.6Very low48.5Very low112 Ų112149.4 Ų149.476%0.75782%0.818SS**PPolyproline II helixtrans-69.4121.3171.8-172.70000109.2
448L52.5Low48.8Very low156 Ų156151.7 Ų151.782%0.81782%0.822SS**  trans-81.6112.3169.3-70.6167.4000108T446T446-L448 PolarHBondContact O-N 2.84Å
449T67.6Low49.3Very low96 Ų96146.4 Ų146.459%0.58982%0.816SS**  trans-86.1155.4170.746.10000110.7D451T449-D451 PolarHBondContact O-N 3.29Å
450L48.3Very low49.5Very low172 Ų172148.1 Ų148.190%0.90182%0.819SS**THydrogen-bonded Turntrans-60.70.9-169.9-104.4148.3000116.7
451D55.3Low49.3Very low144 Ų144151.9 Ų151.977%0.7782%0.824SS**THydrogen-bonded Turntrans-88.8-6.5-176.6-62.2-39.6000113.7T449 Y453T449-D451 PolarHBondContact O-N 3.29Å; D451-Y453 VanDerWaalsContact C-N 3.28Å; D451-Y453 PolarHBondContact O-N 3.03Å
452S52.2Low49.3Very low85 Ų85154.2 Ų154.259%0.59483%0.827SS**THydrogen-bonded Turntrans-88.424.6-178.263.30000114.6
453Y47.2Very low49.5Very low209 Ų209156.5 Ų156.582%0.8283%0.828SS**THydrogen-bonded Turntrans-119.611.6-177.2-112-83.4000114.9D451D451-Y453 VanDerWaalsContact C-N 3.28Å; D451-Y453 PolarHBondContact O-N 3.03Å
454L51.9Low49.9Very low170 Ų170152.9 Ų152.989%0.8983%0.825SS**  trans-134.574.6172.2-70.6173.8000110.5
455E42.7Very low50Low272 Ų272151.3 Ų151.3100%1.27182%0.821SS**  trans-147.80153.5-118.6175.2-170.800110.2

Retrieved 455 of 455 residues in 2248.3 ms (Link to these results)

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