A0A077YYP8_TRITR Loading...

FCH and SH3 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYP8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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
1M61.5Low82.3Confident228 Ų228115.1 Ų115.1100%1.12359%0.585SS**  0133.20-70.6-170.1-103.300109D6M1-D6 WeakPolarHBondContact CA-OD2 3.48Å; M1-D6 WeakPolarHBondContact CB-OD2 3.34Å
2S81.7Confident82.9Confident68 Ų68116.6 Ų116.648%0.47660%0.595SS.*  trans-133.1134.3175.7169.60000107.5G4 K5 D6S2-G4 PolarHBondContact O-N 3.09Å; S2-G4 VanDerWaalsContact O-N 3.12Å; S2-K5 PolarHBondContact O-N 3Å; S2-D6 PolarHBondContact N-OD2 3.42Å; S2-D6 PolarHBondContact O-N 2.87Å
3W81.5Confident83.3Confident135 Ų135114.3 Ų114.351%0.51159%0.59SS.*Hα-helixtrans-52.7-38.6-179-66.13.3000112.1K5 L7 V14 H17 T18W3-K5 VanDerWaalsContact C-N 3.26Å; W3-K5 PolarHBondContact O-N 3.27Å; W3-L7 HydrophobicContact CB-CD1 4.22Å; W3-L7 HydrophobicContact CD2-CD1 4.46Å; W3-L7 HydrophobicContact CG-CD1 3.93Å; W3-L7 CarbonylContact O-C 3.57Å; W3-L7 WeakPolarHBondContact O-CA 3.37Å; W3-L7 WeakPolarHBondContact O-CB 3.17Å; W3-L7 PolarHBondContact O-N 3.18Å; W3-V14 HydrophobicContact CD2-CG1 4.45Å; W3-V14 HydrophobicContact CE3-CG1 3.46Å; W3-V14 VanDerWaalsContact CE3-CG1 3.46Å; W3-V14 HydrophobicContact CE3-CG2 4.38Å; W3-V14 HydrophobicContact CZ3-CG1 3.64Å; W3-H17 AromaticContact CH2-CD2 3.41Å; W3-H17 VanDerWaalsContact CH2-CD2 3.41Å; W3-H17 WeakPolarHBondContact CH2-CD2 3.36Å; W3-H17 AromaticContact CH2-NE2 3.77Å; W3-H17 AromaticContact CZ2-CD2 3.84Å; W3-H17 AromaticContact CZ2-NE2 3.91Å; W3-T18 HydrophobicContact CH2-CG2 4.22Å; W3-T18 HydrophobicContact CZ3-CG2 3.76Å
4G83.5Confident83.5Confident62 Ų62108.5 Ų108.564%0.63956%0.562SS**Hα-helixtrans-68.2-16.9178.600000115.6S2S2-G4 PolarHBondContact O-N 3.09Å; S2-G4 VanDerWaalsContact O-N 3.12Å
5K83.3Confident84Confident170 Ų170105.8 Ų105.874%0.73956%0.556SS**Hα-helixtrans-105-38.1176.9-68.9-172.5179.4-177.90112.7S2 W3S2-K5 PolarHBondContact O-N 3Å; W3-K5 VanDerWaalsContact C-N 3.26Å; W3-K5 PolarHBondContact O-N 3.27Å
6D83.4Confident84.4Confident82 Ų82103.7 Ų103.744%0.43955%0.549SS..Hα-helixtrans-100.7-18.1-170.8-54.6-59.9000113.4M1 S2M1-D6 WeakPolarHBondContact CA-OD2 3.48Å; M1-D6 WeakPolarHBondContact CB-OD2 3.34Å; S2-D6 PolarHBondContact N-OD2 3.42Å; S2-D6 PolarHBondContact O-N 2.87Å
7L83.8Confident84.7Confident63 Ų63104.1 Ų104.133%0.3355%0.547SS..SBendtrans-12128.3179.1-60.2177.4000111.5W3 D9 Q10 V14W3-L7 HydrophobicContact CB-CD1 4.22Å; W3-L7 HydrophobicContact CD2-CD1 4.46Å; W3-L7 HydrophobicContact CG-CD1 3.93Å; W3-L7 CarbonylContact O-C 3.57Å; W3-L7 WeakPolarHBondContact O-CA 3.37Å; W3-L7 WeakPolarHBondContact O-CB 3.17Å; W3-L7 PolarHBondContact O-N 3.18Å; L7-D9 PolarHBondContact O-N 3.22Å; L7-D9 VanDerWaalsContact O-N 3.16Å; L7-Q10 HydrophobicContact CB-CB 4.17Å; L7-Q10 HydrophobicContact CD2-CB 4.36Å; L7-Q10 HydrophobicContact CD2-CG 4.27Å; L7-Q10 PolarHBondContact O-N 3Å; L7-V14 HydrophobicContact CB-CG2 4.08Å; L7-V14 HydrophobicContact CD1-CG2 3.76Å
8W85.8Confident85.2Confident193 Ų193101.8 Ų101.873%0.73154%0.538SS*.THydrogen-bonded Turntrans-62.7-23-170.869-91.6000114
9D85.5Confident85.5Confident92 Ų92101.2 Ų101.249%0.49253%0.534SS..THydrogen-bonded Turntrans-103.2-1.4176.767.1-34.9000113.2L7L7-D9 PolarHBondContact O-N 3.22Å; L7-D9 VanDerWaalsContact O-N 3.16Å
10Q88.8Confident85.8Confident75 Ų75102.8 Ų102.835%0.3554%0.536SS..  trans-106.533.8-175-58-60.9-43.600112.7L7 D12 V13 V14L7-Q10 HydrophobicContact CB-CB 4.17Å; L7-Q10 HydrophobicContact CD2-CB 4.36Å; L7-Q10 HydrophobicContact CD2-CG 4.27Å; L7-Q10 PolarHBondContact O-N 3Å; Q10-D12 PolarHBondContact O-N 2.95Å; Q10-V13 HydrophobicContact CB-CB 4.24Å; Q10-V13 HydrophobicContact CB-CG2 4.36Å; Q10-V13 PolarHBondContact O-N 2.7Å; Q10-V14 PolarHBondContact O-N 3.49Å
11T86.6Confident85.9Confident98 Ų9899.5 Ų99.560%0.60153%0.528SS*.Hα-helixtrans-53-40.6-176.5-52.60000112.7V14 S15T11-V14 PolarHBondContact O-N 3.47Å; T11-S15 VanDerWaalsContact O-CB 3.27Å; T11-S15 WeakPolarHBondContact O-CB 3.35Å; T11-S15 PolarHBondContact O-N 3.16Å
12D89.5Confident87.4Confident133 Ų13393 Ų9371%0.71150%0.497SS*.Hα-helixtrans-66.6-41.2179.3-64.5-29.8000112.2Q10 S15 V16Q10-D12 PolarHBondContact O-N 2.95Å; D12-S15 WeakPolarHBondContact O-CB 3.21Å; D12-S15 PolarHBondContact O-N 2.91Å; D12-V16 WeakPolarHBondContact O-CG2 3.43Å; D12-V16 PolarHBondContact O-N 3.06Å
13V87.6Confident87.9Confident87 Ų8793.7 Ų93.753%0.52749%0.492SS..Hα-helixtrans-64.9-44.6177.8-179.40000110.4Q10 V16 H17Q10-V13 HydrophobicContact CB-CB 4.24Å; Q10-V13 HydrophobicContact CB-CG2 4.36Å; Q10-V13 PolarHBondContact O-N 2.7Å; V13-V16 PolarHBondContact O-N 2.9Å; V13-H17 WeakPolarHBondContact O-CB 2.84Å; V13-H17 PolarHBondContact O-N 3.1Å
14V86.4Confident88.3Confident33 Ų3393.5 Ų93.520%0.250%0.495CS..Hα-helixtrans-62.2-43.8176.1173.70000110.7W3 L7 Q10 T11 H17 T18W3-V14 HydrophobicContact CD2-CG1 4.45Å; W3-V14 HydrophobicContact CE3-CG1 3.46Å; W3-V14 VanDerWaalsContact CE3-CG1 3.46Å; W3-V14 HydrophobicContact CE3-CG2 4.38Å; W3-V14 HydrophobicContact CZ3-CG1 3.64Å; L7-V14 HydrophobicContact CB-CG2 4.08Å; L7-V14 HydrophobicContact CD1-CG2 3.76Å; Q10-V14 PolarHBondContact O-N 3.49Å; T11-V14 PolarHBondContact O-N 3.47Å; V14-H17 PolarHBondContact O-N 3.45Å; V14-T18 HydrophobicContact CG1-CG2 4.46Å; V14-T18 WeakPolarHBondContact O-CG2 3.27Å; V14-T18 PolarHBondContact O-N 3.25Å; V14-T18 PolarHBondContact O-OG1 3.5Å
15S90.9Very high88.6Confident68 Ų6896 Ų9648%0.47649%0.493SS..Hα-helixtrans-59.8-47.2177.1-178.30000112.5T11 D12 H17 T18 L19T11-S15 VanDerWaalsContact O-CB 3.27Å; T11-S15 WeakPolarHBondContact O-CB 3.35Å; T11-S15 PolarHBondContact O-N 3.16Å; D12-S15 WeakPolarHBondContact O-CB 3.21Å; D12-S15 PolarHBondContact O-N 2.91Å; S15-H17 PolarHBondContact O-N 3.02Å; S15-T18 PolarHBondContact O-N 3.44Å; S15-T18 PolarHBondContact O-OG1 2.95Å; S15-L19 WeakPolarHBondContact O-CB 3.28Å; S15-L19 PolarHBondContact O-N 3.46Å
16V91.1Very high89.1Confident72 Ų7293.9 Ų93.944%0.43649%0.486SS..Hα-helixtrans-65.7-39.6176.91720000111.3D12 V13 K20D12-V16 WeakPolarHBondContact O-CG2 3.43Å; D12-V16 PolarHBondContact O-N 3.06Å; V13-V16 PolarHBondContact O-N 2.9Å; V16-K20 HydrophobicContact CG1-CD 4.04Å; V16-K20 HydrophobicContact CG1-CG 4.43Å; V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 VanDerWaalsContact O-CG 3.28Å; V16-K20 WeakPolarHBondContact O-CG 3.41Å; V16-K20 PolarHBondContact O-N 3.19Å
17H89.8Confident89.3Confident110 Ų11097 Ų9751%0.50950%0.496SS..Hα-helixtrans-64.3-44.8177.8173.771.7000112.2W3 V13 V14 S15 K20 G21W3-H17 AromaticContact CH2-CD2 3.41Å; W3-H17 VanDerWaalsContact CH2-CD2 3.41Å; W3-H17 WeakPolarHBondContact CH2-CD2 3.36Å; W3-H17 AromaticContact CH2-NE2 3.77Å; W3-H17 AromaticContact CZ2-CD2 3.84Å; W3-H17 AromaticContact CZ2-NE2 3.91Å; V13-H17 WeakPolarHBondContact O-CB 2.84Å; V13-H17 PolarHBondContact O-N 3.1Å; V14-H17 PolarHBondContact O-N 3.45Å; S15-H17 PolarHBondContact O-N 3.02Å; H17-K20 PolarHBondContact O-N 2.87Å; H17-G21 PolarHBondContact O-N 3.12Å; H17-G21 VanDerWaalsContact O-N 3.08Å
18T92.1Very high89.6Confident63 Ų6396.3 Ų96.339%0.38750%0.496SS..Hα-helixtrans-67.1-40.3177.554.50000111.8W3 V14 S15 G21 I22W3-T18 HydrophobicContact CH2-CG2 4.22Å; W3-T18 HydrophobicContact CZ3-CG2 3.76Å; V14-T18 HydrophobicContact CG1-CG2 4.46Å; V14-T18 WeakPolarHBondContact O-CG2 3.27Å; V14-T18 PolarHBondContact O-N 3.25Å; V14-T18 PolarHBondContact O-OG1 3.5Å; S15-T18 PolarHBondContact O-N 3.44Å; S15-T18 PolarHBondContact O-OG1 2.95Å; T18-G21 PolarHBondContact O-N 3.08Å; T18-I22 WeakPolarHBondContact O-CG1 3.49Å; T18-I22 PolarHBondContact O-N 3.49Å
19L92.3Very high89.8Confident91 Ų9191 Ų9148%0.47649%0.488SS..Hα-helixtrans-59.9-48.5174.1179.961.8000111.8S15 G21 I22 E23S15-L19 WeakPolarHBondContact O-CB 3.28Å; S15-L19 PolarHBondContact O-N 3.46Å; L19-G21 PolarHBondContact O-N 3.47Å; L19-I22 WeakPolarHBondContact O-CA 3.41Å; L19-I22 WeakPolarHBondContact O-CB 3.42Å; L19-I22 PolarHBondContact O-N 3.3Å; L19-E23 HydrophobicContact CD1-CG 4.48Å; L19-E23 HydrophobicContact CG-CG 4.49Å; L19-E23 WeakPolarHBondContact O-CG 3.43Å; L19-E23 PolarHBondContact O-N 3.42Å
20K90.6Very high90Very high132 Ų13288.9 Ų88.957%0.57448%0.484SS*.Hα-helixtrans-58.3-36.5176.1-76.3175178.9178.10112.6V16 H17 F24V16-K20 HydrophobicContact CG1-CD 4.04Å; V16-K20 HydrophobicContact CG1-CG 4.43Å; V16-K20 WeakPolarHBondContact O-CB 3.35Å; V16-K20 VanDerWaalsContact O-CG 3.28Å; V16-K20 WeakPolarHBondContact O-CG 3.41Å; V16-K20 PolarHBondContact O-N 3.19Å; H17-K20 PolarHBondContact O-N 2.87Å; K20-F24 WeakPolarHBondContact O-CB 3.42Å; K20-F24 PolarHBondContact O-N 3.32Å
21G88.9Confident89.9Confident35 Ų3591.6 Ų91.636%0.36149%0.492SS..Hα-helixtrans-63.4-41.1173.500000112.7H17 T18 L19 F24 L25H17-G21 PolarHBondContact O-N 3.12Å; H17-G21 VanDerWaalsContact O-N 3.08Å; T18-G21 PolarHBondContact O-N 3.08Å; L19-G21 PolarHBondContact O-N 3.47Å; G21-F24 PolarHBondContact O-N 2.93Å; G21-L25 WeakPolarHBondContact O-CG 3.39Å; G21-L25 PolarHBondContact O-N 2.94Å; G21-L25 VanDerWaalsContact O-N 3.13Å
22I92.4Very high90Very high91 Ų9191 Ų9147%0.46749%0.488SS..Hα-helixtrans-65.8-49.1175.2-65.1166.4000110.6T18 L19 F24 L25 E26T18-I22 WeakPolarHBondContact O-CG1 3.49Å; T18-I22 PolarHBondContact O-N 3.49Å; L19-I22 WeakPolarHBondContact O-CA 3.41Å; L19-I22 WeakPolarHBondContact O-CB 3.42Å; L19-I22 PolarHBondContact O-N 3.3Å; I22-F24 PolarHBondContact O-N 2.98Å; I22-L25 WeakPolarHBondContact O-CB 3.43Å; I22-L25 PolarHBondContact O-N 3.16Å; I22-E26 WeakPolarHBondContact O-CG 3.48Å; I22-E26 PolarHBondContact O-N 3.36Å
23E92.1Very high90Very high82 Ų8291.6 Ų91.638%0.38348%0.484SS..Hα-helixtrans-58.2-37.1177.2-69.4177.6167.900112.2L19 E26 K27L19-E23 HydrophobicContact CD1-CG 4.48Å; L19-E23 HydrophobicContact CG-CG 4.49Å; L19-E23 WeakPolarHBondContact O-CG 3.43Å; L19-E23 PolarHBondContact O-N 3.42Å; E23-E26 PolarHBondContact O-N 3.27Å; E23-K27 WeakPolarHBondContact O-CG 3.48Å; E23-K27 PolarHBondContact O-N 2.96Å
24F90.2Very high89.9Confident131 Ų13191 Ų9158%0.57548%0.478SS*.Hα-helixtrans-64-44.4173.8172.6-100.7000111.9K20 G21 I22 E26 K27 C28K20-F24 WeakPolarHBondContact O-CB 3.42Å; K20-F24 PolarHBondContact O-N 3.32Å; G21-F24 PolarHBondContact O-N 2.93Å; I22-F24 PolarHBondContact O-N 2.98Å; F24-E26 VanDerWaalsContact C-N 3.32Å; F24-E26 PolarHBondContact O-N 2.98Å; F24-K27 PolarHBondContact O-N 3.47Å; F24-C28 WeakPolarHBondContact CZ-SG 3.34Å; F24-C28 PolarHBondContact O-N 3.33Å; F24-C28 PolarHBondContact O-SG 3.24Å
25L90Very high90Very high114 Ų11494.6 Ų94.660%0.59749%0.488SS*.Hα-helixtrans-63.7-37.7176-71.2175000111.9G21 I22 C28 S29G21-L25 WeakPolarHBondContact O-CG 3.39Å; G21-L25 PolarHBondContact O-N 2.94Å; G21-L25 VanDerWaalsContact O-N 3.13Å; I22-L25 WeakPolarHBondContact O-CB 3.43Å; I22-L25 PolarHBondContact O-N 3.16Å; L25-C28 PolarHBondContact O-N 3.34Å; L25-S29 WeakPolarHBondContact O-CB 3.4Å; L25-S29 PolarHBondContact O-N 3.28Å
26E92.5Very high90Very high126 Ų12694.9 Ų94.959%0.58949%0.489SS*.Hα-helixtrans-61.8-44.4173.9-71.117816700111.7I22 E23 F24 S29 A30I22-E26 WeakPolarHBondContact O-CG 3.48Å; I22-E26 PolarHBondContact O-N 3.36Å; E23-E26 PolarHBondContact O-N 3.27Å; F24-E26 VanDerWaalsContact C-N 3.32Å; F24-E26 PolarHBondContact O-N 2.98Å; E26-S29 WeakPolarHBondContact O-CB 3.49Å; E26-S29 PolarHBondContact O-N 2.98Å; E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 2.89Å
27K89.1Confident89.9Confident147 Ų14795.5 Ų95.564%0.63949%0.493SS*.Hα-helixtrans-62.1-44.1174.5-72172-175.8174.40112.3E23 F24 A30 Y31E23-K27 WeakPolarHBondContact O-CG 3.48Å; E23-K27 PolarHBondContact O-N 2.96Å; F24-K27 PolarHBondContact O-N 3.47Å; K27-A30 PolarHBondContact O-N 3.06Å; K27-Y31 WeakPolarHBondContact O-CB 3.49Å; K27-Y31 PolarHBondContact O-N 3.21Å
28C89.1Confident89.7Confident49 Ų4991.5 Ų91.533%0.33148%0.476SS..Hα-helixtrans-61.7-42.7175-75.70000111.9F24 L25 Y31 V32F24-C28 WeakPolarHBondContact CZ-SG 3.34Å; F24-C28 PolarHBondContact O-N 3.33Å; F24-C28 PolarHBondContact O-SG 3.24Å; L25-C28 PolarHBondContact O-N 3.34Å; C28-Y31 PolarHBondContact O-N 3.06Å; C28-V32 WeakPolarHBondContact O-CG2 3.45Å; C28-V32 PolarHBondContact O-N 3.02Å
29S91.4Very high89.5Confident82 Ų8292.5 Ų92.557%0.57348%0.476SS*.Hα-helixtrans-62.1-46.3177.2-176.30000111.7L25 E26 V32 K33L25-S29 WeakPolarHBondContact O-CB 3.4Å; L25-S29 PolarHBondContact O-N 3.28Å; E26-S29 WeakPolarHBondContact O-CB 3.49Å; E26-S29 PolarHBondContact O-N 2.98Å; S29-V32 PolarHBondContact O-N 3.32Å; S29-K33 WeakPolarHBondContact O-CB 3.29Å; S29-K33 PolarHBondContact O-N 3.21Å
30A89.5Confident89.4Confident48 Ų4893.9 Ų93.940%0.39748%0.48SS..Hα-helixtrans-60.3-46.7175.200000111.7E26 K27 V32 K33 D34E26-A30 WeakPolarHBondContact O-CB 3.45Å; E26-A30 PolarHBondContact O-N 2.89Å; K27-A30 PolarHBondContact O-N 3.06Å; A30-V32 PolarHBondContact O-N 3.43Å; A30-K33 WeakPolarHBondContact O-CB 3.35Å; A30-K33 PolarHBondContact O-N 3.17Å; A30-D34 PolarHBondContact O-N 3.45Å
31Y85.6Confident89.3Confident132 Ų13293 Ų9352%0.51848%0.478SS..Hα-helixtrans-56.9-49177.3172.8-98000112.5K27 C28 K33 D34 R35K27-Y31 WeakPolarHBondContact O-CB 3.49Å; K27-Y31 PolarHBondContact O-N 3.21Å; C28-Y31 PolarHBondContact O-N 3.06Å; Y31-K33 VanDerWaalsContact C-N 3.34Å; Y31-K33 PolarHBondContact O-N 3.24Å; Y31-D34 PolarHBondContact O-N 3.13Å; Y31-R35 WeakPolarHBondContact O-CB 3.47Å; Y31-R35 PolarHBondContact O-N 3.29Å
32V88.5Confident89.3Confident85 Ų8596.6 Ų96.652%0.51548%0.482SS..Hα-helixtrans-63.4-43179.2173.20000110.3C28 S29 A30 D34 R35 C36C28-V32 WeakPolarHBondContact O-CG2 3.45Å; C28-V32 PolarHBondContact O-N 3.02Å; S29-V32 PolarHBondContact O-N 3.32Å; A30-V32 PolarHBondContact O-N 3.43Å; V32-D34 PolarHBondContact O-N 3.02Å; V32-R35 PolarHBondContact O-N 3.48Å; V32-C36 WeakPolarHBondContact O-CB 3.26Å; V32-C36 PolarHBondContact O-N 2.84Å; V32-C36 PolarHBondContact O-SG 2.78Å
33K89.4Confident89.3Confident146 Ų14694.5 Ų94.564%0.63548%0.478SS*.Hα-helixtrans-59.3-49178.3-173.7-178.3178.2-173.70111.8S29 A30 Y31 C36 V37S29-K33 WeakPolarHBondContact O-CB 3.29Å; S29-K33 PolarHBondContact O-N 3.21Å; A30-K33 WeakPolarHBondContact O-CB 3.35Å; A30-K33 PolarHBondContact O-N 3.17Å; Y31-K33 VanDerWaalsContact C-N 3.34Å; Y31-K33 PolarHBondContact O-N 3.24Å; K33-C36 WeakPolarHBondContact O-CB 3.43Å; K33-C36 PolarHBondContact O-N 3.49Å; K33-V37 WeakPolarHBondContact O-CG2 3.34Å; K33-V37 PolarHBondContact O-N 3.2Å; K33-V37 VanDerWaalsContact O-N 3.08Å
34D86.9Confident89.4Confident75 Ų7592.9 Ų92.940%0.40148%0.476SS..Hα-helixtrans-68.7-37.2-178.4-65.2-16000111.8A30 Y31 V32 V37 V38 R244A30-D34 PolarHBondContact O-N 3.45Å; Y31-D34 PolarHBondContact O-N 3.13Å; V32-D34 PolarHBondContact O-N 3.02Å; D34-V37 PolarHBondContact O-N 2.92Å; D34-V38 PolarHBondContact O-N 3.25Å; D34-R244 VanDerWaalsContact C-NH2 3.29Å; D34-R244 PolarHBondContact O-NH2 2.71Å
35R86.9Confident89.4Confident107 Ų10787.9 Ų87.940%0.40446%0.457SS..Hα-helixtrans-62.8-43173-176.658.2172.1151.76.9111.3Y31 V32 V37 V38 E39Y31-R35 WeakPolarHBondContact O-CB 3.47Å; Y31-R35 PolarHBondContact O-N 3.29Å; V32-R35 PolarHBondContact O-N 3.48Å; R35-V37 VanDerWaalsContact C-N 3.32Å; R35-V37 PolarHBondContact O-N 3.43Å; R35-V38 PolarHBondContact O-N 3.2Å; R35-E39 IonicContact CZ-OE1 2.81Å; R35-E39 IonicContact NE-OE1 3.69Å; R35-E39 IonicContact NH1-OE1 2.77Å; R35-E39 PolarHBondContact NH1-OE1 2.91Å; R35-E39 IonicContact NH2-OE1 2.64Å; R35-E39 PolarHBondContact NH2-OE1 3.27Å; R35-E39 WeakPolarHBondContact O-CG 3.49Å; R35-E39 PolarHBondContact O-N 3.36Å
36C90.8Very high89.6Confident74 Ų7487.3 Ų87.350%0.545%0.454SS..Hα-helixtrans-60-39.7175.6-73.40000112.3V32 K33 Q40V32-C36 WeakPolarHBondContact O-CB 3.26Å; V32-C36 PolarHBondContact O-N 2.84Å; V32-C36 PolarHBondContact O-SG 2.78Å; K33-C36 WeakPolarHBondContact O-CB 3.43Å; K33-C36 PolarHBondContact O-N 3.49Å; C36-Q40 WeakPolarHBondContact O-CB 3.48Å; C36-Q40 PolarHBondContact O-N 3.02Å
37V89.2Confident89.7Confident85 Ų8587.1 Ų87.152%0.51545%0.448SS..Hα-helixtrans-63.1-46.3178.5172.50000111.7K33 D34 R35 Q40 Q41K33-V37 WeakPolarHBondContact O-CG2 3.34Å; K33-V37 PolarHBondContact O-N 3.2Å; K33-V37 VanDerWaalsContact O-N 3.08Å; D34-V37 PolarHBondContact O-N 2.92Å; R35-V37 VanDerWaalsContact C-N 3.32Å; R35-V37 PolarHBondContact O-N 3.43Å; V37-Q40 PolarHBondContact O-N 2.82Å; V37-Q41 PolarHBondContact O-N 3.27Å
38V85.6Confident90Very high27 Ų2783.9 Ų83.916%0.16444%0.435CS..Hα-helixtrans-64.5-46.5179.21700000111.5D34 R35 Q40 Q41 Y42 T240D34-V38 PolarHBondContact O-N 3.25Å; R35-V38 PolarHBondContact O-N 3.2Å; V38-Q40 VanDerWaalsContact C-N 3.3Å; V38-Q40 PolarHBondContact O-N 3.5Å; V38-Q41 PolarHBondContact O-N 3.19Å; V38-Y42 HydrophobicContact CG1-CD2 3.67Å; V38-Y42 HydrophobicContact CG1-CE2 3.32Å; V38-Y42 VanDerWaalsContact O-CD2 3.25Å; V38-Y42 WeakPolarHBondContact O-CD2 3.33Å; V38-Y42 PolarHBondContact O-N 3.05Å; V38-T240 HydrophobicContact CG2-CG2 4.27Å
39E88Confident90.3Very high83 Ų8383.9 Ų83.939%0.38843%0.431SS..Hα-helixtrans-62.6-38.2176.2-71.5-60143.200112R35 Q41 A43R35-E39 IonicContact CZ-OE1 2.81Å; R35-E39 IonicContact NE-OE1 3.69Å; R35-E39 IonicContact NH1-OE1 2.77Å; R35-E39 PolarHBondContact NH1-OE1 2.91Å; R35-E39 IonicContact NH2-OE1 2.64Å; R35-E39 PolarHBondContact NH2-OE1 3.27Å; R35-E39 WeakPolarHBondContact O-CG 3.49Å; R35-E39 PolarHBondContact O-N 3.36Å; E39-Q41 VanDerWaalsContact C-N 3.32Å; E39-Q41 PolarHBondContact O-N 3.26Å; E39-A43 WeakPolarHBondContact O-CB 3.45Å; E39-A43 PolarHBondContact O-N 3.24Å
40Q91Very high90.5Very high120 Ų12084.5 Ų84.556%0.56143%0.428SS*.Hα-helixtrans-63.6-38.2175.4-17465.333.300111.8C36 V37 V38 S44C36-Q40 WeakPolarHBondContact O-CB 3.48Å; C36-Q40 PolarHBondContact O-N 3.02Å; V37-Q40 PolarHBondContact O-N 2.82Å; V38-Q40 VanDerWaalsContact C-N 3.3Å; V38-Q40 PolarHBondContact O-N 3.5Å; Q40-S44 WeakPolarHBondContact O-CB 3.5Å; Q40-S44 PolarHBondContact O-N 3.3Å
41Q88.6Confident90.8Very high115 Ų11585.7 Ų85.754%0.53743%0.428SS..Hα-helixtrans-66.4-52.1177.1-174.4173.5-9.800111.2V37 V38 E39 A43 S44 S45V37-Q41 PolarHBondContact O-N 3.27Å; V38-Q41 PolarHBondContact O-N 3.19Å; E39-Q41 VanDerWaalsContact C-N 3.32Å; E39-Q41 PolarHBondContact O-N 3.26Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.02Å; Q41-S44 WeakPolarHBondContact O-CB 3.36Å; Q41-S44 PolarHBondContact O-N 3.49Å; Q41-S45 PolarHBondContact O-N 3.1Å; Q41-S45 PolarHBondContact O-OG 3.09Å
42Y89.2Confident91.3Very high109 Ų10981.8 Ų81.843%0.42741%0.414SS..Hα-helixtrans-59.6-41.4176.9-71.7-60.1000112.4V38 S44 S45 L46 D237V38-Y42 HydrophobicContact CG1-CD2 3.67Å; V38-Y42 HydrophobicContact CG1-CE2 3.32Å; V38-Y42 VanDerWaalsContact O-CD2 3.25Å; V38-Y42 WeakPolarHBondContact O-CD2 3.33Å; V38-Y42 PolarHBondContact O-N 3.05Å; Y42-S44 VanDerWaalsContact C-N 3.31Å; Y42-S44 PolarHBondContact O-N 3.38Å; Y42-S45 PolarHBondContact O-N 2.65Å; Y42-L46 WeakPolarHBondContact O-CB 3.5Å; Y42-L46 PolarHBondContact O-N 2.99Å; Y42-D237 PolarHBondContact OH-OD2 2.87Å; Y42-D237 VanDerWaalsContact OH-OD2 3.04Å
43A92.6Very high91.6Very high47 Ų4781.6 Ų81.639%0.38841%0.41SS..Hα-helixtrans-66.3-31.4175.800000112.8E39 Q41 R47E39-A43 WeakPolarHBondContact O-CB 3.45Å; E39-A43 PolarHBondContact O-N 3.24Å; Q41-A43 VanDerWaalsContact C-N 3.32Å; Q41-A43 PolarHBondContact O-N 3.02Å; A43-R47 WeakPolarHBondContact O-CB 3.44Å; A43-R47 PolarHBondContact O-N 2.85Å
44S92.7Very high92Very high48 Ų4880 Ų8034%0.33641%0.408SS..Hα-helixtrans-68.6-50.1173.5-161.80000110.8Q40 Q41 Y42 L46 R47 E48Q40-S44 WeakPolarHBondContact O-CB 3.5Å; Q40-S44 PolarHBondContact O-N 3.3Å; Q41-S44 WeakPolarHBondContact O-CB 3.36Å; Q41-S44 PolarHBondContact O-N 3.49Å; Y42-S44 VanDerWaalsContact C-N 3.31Å; Y42-S44 PolarHBondContact O-N 3.38Å; S44-L46 PolarHBondContact O-N 2.92Å; S44-R47 WeakPolarHBondContact O-CB 3.5Å; S44-R47 PolarHBondContact O-N 3.37Å; S44-R47 VanDerWaalsContact O-N 3.11Å; S44-E48 PolarHBondContact O-N 3Å; S44-E48 VanDerWaalsContact O-N 3.11Å
45S91.7Very high92.4Very high26 Ų2680.1 Ų80.118%0.18241%0.409CS..Hα-helixtrans-58.5-45.3178.8-630000112.6Q41 Y42 R47 E48 I49 E228Q41-S45 PolarHBondContact O-N 3.1Å; Q41-S45 PolarHBondContact O-OG 3.09Å; Y42-S45 PolarHBondContact O-N 2.65Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.38Å; S45-E48 PolarHBondContact O-N 2.94Å; S45-I49 PolarHBondContact O-N 3.43Å; S45-I49 VanDerWaalsContact O-N 3.13Å; S45-E228 WeakPolarHBondContact CA-OE1 3.49Å; S45-E228 WeakPolarHBondContact CB-OE1 3.24Å; S45-E228 WeakPolarHBondContact O-CG 3.19Å; S45-E228 PolarHBondContact OG-OE1 3.35Å
46L92.9Very high92.8Very high102 Ų10276.2 Ų76.253%0.53440%0.395SS..Hα-helixtrans-60.9-39176.3178.960.2000112.1Y42 S44 E48 I49 L50Y42-L46 WeakPolarHBondContact O-CB 3.5Å; Y42-L46 PolarHBondContact O-N 2.99Å; S44-L46 PolarHBondContact O-N 2.92Å; L46-E48 VanDerWaalsContact C-N 3.34Å; L46-I49 PolarHBondContact O-N 2.75Å; L46-L50 HydrophobicContact CD1-CD1 4.46Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.48Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.31Å; L46-L50 PolarHBondContact O-N 3.3Å
47R95.7Very high93Very high122 Ų12275.3 Ų75.346%0.4639%0.394SS..Hα-helixtrans-64.1-40178.6-167.6-170.7-25.3-137.9-4.8111.8A43 S44 S45 L50 N51A43-R47 WeakPolarHBondContact O-CB 3.44Å; A43-R47 PolarHBondContact O-N 2.85Å; S44-R47 WeakPolarHBondContact O-CB 3.5Å; S44-R47 PolarHBondContact O-N 3.37Å; S44-R47 VanDerWaalsContact O-N 3.11Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.38Å; R47-L50 PolarHBondContact O-N 3.35Å; R47-N51 PolarHBondContact O-N 2.85Å; R47-N51 PolarHBondContact O-ND2 2.78Å; R47-N51 PolarHBondContact O-OD1 3.31Å
48E95.1Very high93.4Very high80 Ų8072.6 Ų72.637%0.37438%0.382SS..Hα-helixtrans-65.9-41.8176.4-60.6-47.4143.700111.7S44 S45 L46 L50 N51 E52 E228S44-E48 PolarHBondContact O-N 3Å; S44-E48 VanDerWaalsContact O-N 3.11Å; S45-E48 PolarHBondContact O-N 2.94Å; L46-E48 VanDerWaalsContact C-N 3.34Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 2.88Å; E48-N51 WeakPolarHBondContact O-CB 3.31Å; E48-N51 PolarHBondContact O-N 2.69Å; E48-N51 VanDerWaalsContact O-N 3.13Å; E48-N51 PolarHBondContact OE2-ND2 3.44Å; E48-N51 VanDerWaalsContact OE2-ND2 3.09Å; E48-E52 PolarHBondContact O-N 3.5Å; E48-E228 HydrophobicContact CB-CG 4.35Å
49I94.4Very high93.9Very high48 Ų4873 Ų7325%0.24638%0.382CS..Hα-helixtrans-60.1-41.2173-65.4169.5000111.2S45 L46 N51 E52 L53 M225 E228S45-I49 PolarHBondContact O-N 3.43Å; S45-I49 VanDerWaalsContact O-N 3.13Å; L46-I49 PolarHBondContact O-N 2.75Å; I49-N51 VanDerWaalsContact C-N 3.33Å; I49-N51 PolarHBondContact O-N 3.33Å; I49-E52 PolarHBondContact O-N 2.85Å; I49-L53 HydrophobicContact CG2-CD1 4.25Å; I49-L53 WeakPolarHBondContact O-CG 3.41Å; I49-L53 PolarHBondContact O-N 3.38Å; I49-M225 HydrophobicContact CG2-CG 4.27Å; I49-M225 HydrophobicContact CG2-SD 4.49Å; I49-E228 HydrophobicContact CD1-CB 4.49Å; I49-E228 HydrophobicContact CD1-CG 4.33Å; I49-E228 HydrophobicContact CG1-CB 4.05Å; I49-E228 HydrophobicContact CG1-CG 4.05Å
50L96.1Very high94.2Very high96 Ų9673.8 Ų73.850%0.50339%0.386SS..Hα-helixtrans-66.6-33.3176.8-71172.4000112.6L46 R47 E48 L53 N54L46-L50 HydrophobicContact CD1-CD1 4.46Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 HydrophobicContact CG-CG 4.48Å; L46-L50 VanDerWaalsContact O-CG 3.28Å; L46-L50 WeakPolarHBondContact O-CG 3.31Å; L46-L50 PolarHBondContact O-N 3.3Å; R47-L50 PolarHBondContact O-N 3.35Å; E48-L50 VanDerWaalsContact C-N 3.29Å; E48-L50 PolarHBondContact O-N 2.88Å; L50-L53 HydrophobicContact CD2-CD1 4.38Å; L50-L53 PolarHBondContact O-N 2.88Å; L50-N54 WeakPolarHBondContact O-CB 3.5Å; L50-N54 PolarHBondContact O-N 3.3Å
51N96.5Very high94.5Very high73 Ų7374 Ų7439%0.3939%0.387SS..Hα-helixtrans-63.6-47.4173.1-66.9-25.6000110.5R47 E48 I49 L53 N54 D55R47-N51 PolarHBondContact O-N 2.85Å; R47-N51 PolarHBondContact O-ND2 2.78Å; R47-N51 PolarHBondContact O-OD1 3.31Å; E48-N51 WeakPolarHBondContact O-CB 3.31Å; E48-N51 PolarHBondContact O-N 2.69Å; E48-N51 VanDerWaalsContact O-N 3.13Å; E48-N51 PolarHBondContact OE2-ND2 3.44Å; E48-N51 VanDerWaalsContact OE2-ND2 3.09Å; I49-N51 VanDerWaalsContact C-N 3.33Å; I49-N51 PolarHBondContact O-N 3.33Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 2.8Å; N51-N54 WeakPolarHBondContact O-CB 3.36Å; N51-N54 PolarHBondContact O-N 3.41Å; N51-N54 VanDerWaalsContact O-N 3.1Å; N51-D55 PolarHBondContact O-N 2.88Å
52E95.7Very high94.9Very high50 Ų5071.9 Ų71.923%0.23438%0.382CS..Hα-helixtrans-62.7-37.7177.6-65-64173.300112.5E48 I49 N54 D55 L56 C221 M225E48-E52 PolarHBondContact O-N 3.5Å; I49-E52 PolarHBondContact O-N 2.85Å; E52-N54 VanDerWaalsContact C-N 3.33Å; E52-D55 PolarHBondContact O-N 2.79Å; E52-L56 WeakPolarHBondContact O-CB 3.46Å; E52-L56 PolarHBondContact O-N 3.21Å; E52-C221 HydrophobicContact CB-CB 4.47Å; E52-C221 VanDerWaalsContact OE2-CA 3.26Å; E52-C221 WeakPolarHBondContact OE2-CA 3.4Å; E52-M225 HydrophobicContact CB-CE 3.95Å; E52-M225 HydrophobicContact CB-CG 3.56Å; E52-M225 HydrophobicContact CB-SD 4.38Å; E52-M225 HydrophobicContact CG-CG 4.1Å
53L95.3Very high95.2Very high81 Ų8168.6 Ų68.642%0.42437%0.371SS..Hα-helixtrans-65.9-36.1173.8-75.9172.7000112.6I49 L50 N51 L56 A57 M225I49-L53 HydrophobicContact CG2-CD1 4.25Å; I49-L53 WeakPolarHBondContact O-CG 3.41Å; I49-L53 PolarHBondContact O-N 3.38Å; L50-L53 HydrophobicContact CD2-CD1 4.38Å; L50-L53 PolarHBondContact O-N 2.88Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 2.8Å; L53-L56 HydrophobicContact CD2-CD2 4.46Å; L53-A57 PolarHBondContact O-N 2.9Å; L53-M225 HydrophobicContact CD2-CE 4.05Å; L53-M225 HydrophobicContact CD2-SD 3.91Å; L53-M225 HydrophobicContact CG-CE 4.41Å; L53-M225 HydrophobicContact CG-SD 4.05Å
54N96.2Very high95.4Very high111 Ų11170.7 Ų70.759%0.59438%0.379SS*.Hα-helixtrans-66.6-42.2174.617979.9000111.2L50 N51 E52 A57 G58L50-N54 WeakPolarHBondContact O-CB 3.5Å; L50-N54 PolarHBondContact O-N 3.3Å; N51-N54 WeakPolarHBondContact O-CB 3.36Å; N51-N54 PolarHBondContact O-N 3.41Å; N51-N54 VanDerWaalsContact O-N 3.1Å; E52-N54 VanDerWaalsContact C-N 3.33Å; N54-A57 WeakPolarHBondContact O-CB 3.31Å; N54-A57 PolarHBondContact O-N 3.34Å; N54-G58 PolarHBondContact O-N 3.48Å
55D96Very high95.6Very high79 Ų7973.4 Ų73.442%0.42239%0.386SS..Hα-helixtrans-64.7-41.2176.6-71.7-9.7000111.4N51 E52 A57 G58 Q59N51-D55 PolarHBondContact O-N 2.88Å; E52-D55 PolarHBondContact O-N 2.79Å; D55-A57 VanDerWaalsContact C-N 3.33Å; D55-A57 PolarHBondContact O-N 3.48Å; D55-G58 PolarHBondContact O-N 3.24Å; D55-G58 VanDerWaalsContact O-N 3.16Å; D55-Q59 WeakPolarHBondContact O-CG 3.36Å; D55-Q59 PolarHBondContact O-N 2.73Å
56L95.2Very high95.8Very high24 Ų2472.8 Ų72.813%0.12638%0.384CS..Hα-helixtrans-57.6-43.9171.9176.758.8000112.3E52 L53 G58 Q59 H60 V218 F222 M225E52-L56 WeakPolarHBondContact O-CB 3.46Å; E52-L56 PolarHBondContact O-N 3.21Å; L53-L56 HydrophobicContact CD2-CD2 4.46Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 2.87Å; L56-Q59 WeakPolarHBondContact O-CB 3.5Å; L56-Q59 PolarHBondContact O-N 3.23Å; L56-H60 PolarHBondContact O-N 2.9Å; L56-H60 VanDerWaalsContact O-N 3.17Å; L56-V218 HydrophobicContact CD1-CB 4.09Å; L56-V218 HydrophobicContact CD1-CG1 3.65Å; L56-V218 HydrophobicContact CD1-CG2 3.62Å; L56-F222 HydrophobicContact CD2-CE1 3.78Å; L56-F222 HydrophobicContact CD2-CZ 4.26Å; L56-M225 HydrophobicContact CD2-CE 4.39Å
57A96.3Very high96Very high56 Ų5670.3 Ų70.346%0.46337%0.369SS..Hα-helixtrans-62.1-42.2175.800000111.6L53 N54 D55 Q59 H60 E61L53-A57 PolarHBondContact O-N 2.9Å; N54-A57 WeakPolarHBondContact O-CB 3.31Å; N54-A57 PolarHBondContact O-N 3.34Å; D55-A57 VanDerWaalsContact C-N 3.33Å; D55-A57 PolarHBondContact O-N 3.48Å; A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 2.92Å; A57-H60 PolarHBondContact O-N 3.38Å; A57-E61 PolarHBondContact O-N 3.2Å; A57-E61 VanDerWaalsContact O-N 3.1Å
58G96.6Very high96.1Very high27 Ų2769.4 Ų69.428%0.27837%0.37SS..Hα-helixtrans-61.3-36.5174.100000112.9N54 D55 L56 H60 E61 V62N54-G58 PolarHBondContact O-N 3.48Å; D55-G58 PolarHBondContact O-N 3.24Å; D55-G58 VanDerWaalsContact O-N 3.16Å; L56-G58 VanDerWaalsContact C-N 3.33Å; L56-G58 PolarHBondContact O-N 2.87Å; G58-H60 PolarHBondContact O-N 3.39Å; G58-E61 WeakPolarHBondContact O-CB 3.14Å; G58-E61 PolarHBondContact O-N 3.31Å; G58-E61 VanDerWaalsContact O-N 3.17Å; G58-V62 WeakPolarHBondContact O-CG2 3.28Å; G58-V62 PolarHBondContact O-N 2.88Å
59Q95.9Very high96.1Very high35 Ų3570.7 Ų70.716%0.16438%0.379CS..Hα-helixtrans-64.9-36.5174.7-69.6-43.1-4200113.4D55 L56 A57 E61 V62 M63 V214 I217 V218D55-Q59 WeakPolarHBondContact O-CG 3.36Å; D55-Q59 PolarHBondContact O-N 2.73Å; L56-Q59 WeakPolarHBondContact O-CB 3.5Å; L56-Q59 PolarHBondContact O-N 3.23Å; A57-Q59 VanDerWaalsContact C-N 3.3Å; A57-Q59 PolarHBondContact O-N 2.92Å; Q59-E61 VanDerWaalsContact C-N 3.34Å; Q59-V62 PolarHBondContact O-N 3.25Å; Q59-M63 PolarHBondContact O-N 2.99Å; Q59-M63 VanDerWaalsContact O-N 3.13Å; Q59-V214 HydrophobicContact CB-CG1 3.67Å; Q59-V214 HydrophobicContact CG-CG1 4.4Å; Q59-I217 HydrophobicContact CG-CB 4.03Å; Q59-I217 HydrophobicContact CG-CG2 3.79Å; Q59-V218 HydrophobicContact CB-CG2 4.06Å; Q59-V218 HydrophobicContact CG-CG2 4.4Å
60H94.5Very high96.2Very high100 Ų10073 Ų7346%0.46339%0.385SS..Hα-helixtrans-68.6-32.3171.9-69.8170.9000112.5L56 A57 G58 M63 V64L56-H60 PolarHBondContact O-N 2.9Å; L56-H60 VanDerWaalsContact O-N 3.17Å; A57-H60 PolarHBondContact O-N 3.38Å; G58-H60 PolarHBondContact O-N 3.39Å; H60-M63 WeakPolarHBondContact O-CB 3.3Å; H60-M63 PolarHBondContact O-N 2.84Å; H60-V64 WeakPolarHBondContact O-CG2 3.42Å; H60-V64 PolarHBondContact O-N 3.09Å; H60-V64 VanDerWaalsContact O-N 3.08Å
61E96.9Very high96.3Very high125 Ų12568.9 Ų68.958%0.58436%0.364SS*.Hα-helixtrans-63.2-45.6172.4-173.4171.2-162.800111.3A57 G58 Q59 M63 V64 E65A57-E61 PolarHBondContact O-N 3.2Å; A57-E61 VanDerWaalsContact O-N 3.1Å; G58-E61 WeakPolarHBondContact O-CB 3.14Å; G58-E61 PolarHBondContact O-N 3.31Å; G58-E61 VanDerWaalsContact O-N 3.17Å; Q59-E61 VanDerWaalsContact C-N 3.34Å; E61-M63 VanDerWaalsContact C-N 3.26Å; E61-M63 PolarHBondContact O-N 3.12Å; E61-V64 WeakPolarHBondContact O-CB 3.36Å; E61-V64 PolarHBondContact O-N 3.32Å; E61-V64 VanDerWaalsContact O-N 3.08Å; E61-E65 PolarHBondContact O-N 3.17Å
62V96.4Very high96.3Very high71 Ų7169.3 Ų69.343%0.4337%0.366SS..Hα-helixtrans-57.3-39.4174.2173.10000111.8G58 Q59 E65 G66 V214G58-V62 WeakPolarHBondContact O-CG2 3.28Å; G58-V62 PolarHBondContact O-N 2.88Å; Q59-V62 PolarHBondContact O-N 3.25Å; V62-E65 PolarHBondContact O-N 2.89Å; V62-G66 PolarHBondContact O-N 3.45Å; V62-V214 HydrophobicContact CG1-CG2 4.43Å
63M95.7Very high96.4Very high39 Ų3970.3 Ų70.319%0.19238%0.375CS..Hα-helixtrans-62.7-45.5175.7-171.4-167.8-66.100111.6Q59 H60 E61 G66 F67 V210 E211 V214Q59-M63 PolarHBondContact O-N 2.99Å; Q59-M63 VanDerWaalsContact O-N 3.13Å; H60-M63 WeakPolarHBondContact O-CB 3.3Å; H60-M63 PolarHBondContact O-N 2.84Å; E61-M63 VanDerWaalsContact C-N 3.26Å; E61-M63 PolarHBondContact O-N 3.12Å; M63-G66 PolarHBondContact O-N 3.39Å; M63-F67 HydrophobicContact CG-CD2 4Å; M63-F67 HydrophobicContact CG-CE2 3.48Å; M63-F67 VanDerWaalsContact CG-CE2 3.48Å; M63-F67 HydrophobicContact CG-CZ 4.23Å; M63-F67 WeakPolarHBondContact O-CD2 3.16Å; M63-F67 PolarHBondContact O-N 3.3Å; M63-F67 HydrophobicContact SD-CE2 3.82Å; M63-F67 HydrophobicContact SD-CZ 4.48Å; M63-V210 HydrophobicContact CG-CG1 4.03Å; M63-V210 WeakPolarHBondContact O-CG1 3.43Å; M63-E211 HydrophobicContact CE-CG 4.32Å; M63-E211 HydrophobicContact CG-CG 4.39Å; M63-E211 HydrophobicContact SD-CG 3.97Å; M63-V214 HydrophobicContact CB-CG2 4.39Å; M63-V214 HydrophobicContact CE-CB 4.43Å; M63-V214 HydrophobicContact CE-CG1 4.33Å
64V97.2Very high96.5Very high91 Ų9169.1 Ų69.155%0.55237%0.368SS*.Hα-helixtrans-62.3-45.1177.7172.30000111.2H60 E61 G66 F67 Q68H60-V64 WeakPolarHBondContact O-CG2 3.42Å; H60-V64 PolarHBondContact O-N 3.09Å; H60-V64 VanDerWaalsContact O-N 3.08Å; E61-V64 WeakPolarHBondContact O-CB 3.36Å; E61-V64 PolarHBondContact O-N 3.32Å; E61-V64 VanDerWaalsContact O-N 3.08Å; V64-G66 VanDerWaalsContact C-N 3.31Å; V64-G66 PolarHBondContact O-N 3.33Å; V64-F67 PolarHBondContact O-N 3.18Å; V64-Q68 WeakPolarHBondContact O-CB 3.5Å; V64-Q68 PolarHBondContact O-N 2.73Å
65E96.5Very high96.6Very high105 Ų10567.1 Ų67.149%0.49136%0.356SS..Hα-helixtrans-59.5-43.3174-69.4-176.2164.400111.3E61 V62 F67 Q68 D69E61-E65 PolarHBondContact O-N 3.17Å; V62-E65 PolarHBondContact O-N 2.89Å; E65-F67 PolarHBondContact O-N 2.91Å; E65-Q68 PolarHBondContact O-N 2.77Å; E65-D69 WeakPolarHBondContact O-CB 3.16Å; E65-D69 PolarHBondContact O-N 2.96Å
66G96Very high96.7Very high13 Ų1367.1 Ų67.113%0.13436%0.359CS..Hα-helixtrans-56.9-45.7174.700000112.9V62 M63 V64 R70V62-G66 PolarHBondContact O-N 3.45Å; M63-G66 PolarHBondContact O-N 3.39Å; V64-G66 VanDerWaalsContact C-N 3.31Å; V64-G66 PolarHBondContact O-N 3.33Å; G66-R70 WeakPolarHBondContact O-CA 3.33Å; G66-R70 WeakPolarHBondContact O-CB 3.36Å; G66-R70 WeakPolarHBondContact O-CG 3.41Å; G66-R70 PolarHBondContact O-N 3.08Å
67F97.9Very high96.9Very high51 Ų5170.9 Ų70.922%0.22437%0.374CS..Hα-helixtrans-65.2-42.7174.7-71.7-55.4000112.5M63 V64 E65 V71 L72 C207 V210 E211M63-F67 HydrophobicContact CG-CD2 4Å; M63-F67 HydrophobicContact CG-CE2 3.48Å; M63-F67 VanDerWaalsContact CG-CE2 3.48Å; M63-F67 HydrophobicContact CG-CZ 4.23Å; M63-F67 WeakPolarHBondContact O-CD2 3.16Å; M63-F67 PolarHBondContact O-N 3.3Å; M63-F67 HydrophobicContact SD-CE2 3.82Å; M63-F67 HydrophobicContact SD-CZ 4.48Å; V64-F67 PolarHBondContact O-N 3.18Å; E65-F67 PolarHBondContact O-N 2.91Å; F67-V71 HydrophobicContact CD1-CG2 4.17Å; F67-V71 CarbonylContact O-C 3.56Å; F67-V71 WeakPolarHBondContact O-CA 3.35Å; F67-V71 VanDerWaalsContact O-CB 3.24Å; F67-V71 WeakPolarHBondContact O-CB 3.44Å; F67-V71 PolarHBondContact O-N 2.64Å; F67-V71 VanDerWaalsContact O-N 3.08Å; F67-L72 PolarHBondContact O-N 3.22Å; F67-C207 HydrophobicContact CE1-CB 3.82Å; F67-V210 HydrophobicContact CD1-CG1 4.46Å; F67-V210 HydrophobicContact CE1-CB 4.49Å; F67-V210 HydrophobicContact CE1-CG1 4.45Å; F67-E211 HydrophobicContact CE2-CG 4.33Å; F67-E211 HydrophobicContact CZ-CG 3.63Å; F67-E211 WeakPolarHBondContact CZ-OE1 3.39Å
68Q97.6Very high97Very high103 Ų10369.1 Ų69.148%0.48136%0.357SS..Iπ-helixtrans-62.9-50.5-179.1-168.573.926.800111.5V64 E65 T73V64-Q68 WeakPolarHBondContact O-CB 3.5Å; V64-Q68 PolarHBondContact O-N 2.73Å; E65-Q68 PolarHBondContact O-N 2.77Å; Q68-T73 PolarHBondContact O-N 2.91Å; Q68-T73 VanDerWaalsContact O-N 3.07Å; Q68-T73 PolarHBondContact O-OG1 3.4Å
69D95.8Very high97.1Very high107 Ų10771.2 Ų71.257%0.57236%0.364SS*.Iπ-helixtrans-82.4-39.7-171.6-71.3-12.6000112.3E65 T73E65-D69 WeakPolarHBondContact O-CB 3.16Å; E65-D69 PolarHBondContact O-N 2.96Å; D69-T73 WeakPolarHBondContact O-CB 3.27Å
70R96.5Very high97.2Very high95 Ų9576.6 Ų76.636%0.35839%0.387SS..Iπ-helixtrans-94.1-23.7-173.4-52.6174.856.9-179.5-0.7113.5G66 E74 V206 E209G66-R70 WeakPolarHBondContact O-CA 3.33Å; G66-R70 WeakPolarHBondContact O-CB 3.36Å; G66-R70 WeakPolarHBondContact O-CG 3.41Å; G66-R70 PolarHBondContact O-N 3.08Å; R70-E74 WeakPolarHBondContact O-CG 3.39Å; R70-V206 HydrophobicContact CB-CG1 3.94Å; R70-E209 IonicContact CZ-OE1 3.55Å; R70-E209 IonicContact NH1-OE1 3.91Å; R70-E209 PolarHBondContact NH1-OE1 2.98Å; R70-E209 VanDerWaalsContact NH1-OE1 3.08Å; R70-E209 IonicContact NH2-OE1 2.66Å; R70-E209 PolarHBondContact NH2-OE1 3.5Å; R70-E209 IonicContact NH2-OE2 3.9Å; R70-E209 PolarHBondContact NH2-OE2 3.2Å
71V97.7Very high97.4Very high11 Ų1175.6 Ų75.67%0.06738%0.383CS..Iπ-helixtrans-111.4-60.3-176.3-175.20000111F67 T73 E74 I75 V206F67-V71 HydrophobicContact CD1-CG2 4.17Å; F67-V71 CarbonylContact O-C 3.56Å; F67-V71 WeakPolarHBondContact O-CA 3.35Å; F67-V71 VanDerWaalsContact O-CB 3.24Å; F67-V71 WeakPolarHBondContact O-CB 3.44Å; F67-V71 PolarHBondContact O-N 2.64Å; F67-V71 VanDerWaalsContact O-N 3.08Å; V71-T73 PolarHBondContact O-N 3.46Å; V71-E74 PolarHBondContact O-N 2.93Å; V71-I75 HydrophobicContact CG1-CD1 3.74Å; V71-I75 HydrophobicContact CG1-CG1 4.44Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.21Å; V71-I75 PolarHBondContact O-N 2.92Å; V71-V206 HydrophobicContact CG2-CG1 3.9Å
72L97.1Very high97.5Very high81 Ų8170.9 Ų70.942%0.42436%0.36SS..Iπ-helixtrans-67.2-39.8-173.5-65.8-179.8000113F67 T76F67-L72 PolarHBondContact O-N 3.22Å; L72-T76 WeakPolarHBondContact O-CB 3.23Å; L72-T76 PolarHBondContact O-N 3.02Å; L72-T76 PolarHBondContact O-OG1 2.89Å
73T98Very high97.6Very high71 Ų7174.6 Ų74.644%0.43637%0.371SS..Hα-helixtrans-62.4-44.6175.5-61.90000111.3Q68 D69 V71 T76 K77Q68-T73 PolarHBondContact O-N 2.91Å; Q68-T73 VanDerWaalsContact O-N 3.07Å; Q68-T73 PolarHBondContact O-OG1 3.4Å; D69-T73 WeakPolarHBondContact O-CB 3.27Å; V71-T73 PolarHBondContact O-N 3.46Å; T73-T76 PolarHBondContact O-N 3.49Å; T73-K77 PolarHBondContact O-N 3.42Å; T73-K77 VanDerWaalsContact O-N 3.07Å
74E97.3Very high97.7Very high57 Ų5777.1 Ų77.127%0.26638%0.382SS..Hα-helixtrans-67.9-42.1178.2-70.5-58.5127.300112.3R70 V71 T76 K77 L78 L203R70-E74 WeakPolarHBondContact O-CG 3.39Å; V71-E74 PolarHBondContact O-N 2.93Å; E74-T76 VanDerWaalsContact C-N 3.31Å; E74-T76 PolarHBondContact O-N 3.13Å; E74-K77 WeakPolarHBondContact O-CB 3.37Å; E74-K77 PolarHBondContact O-N 2.78Å; E74-L78 WeakPolarHBondContact O-CB 3.08Å; E74-L78 VanDerWaalsContact O-CG 3.31Å; E74-L78 WeakPolarHBondContact O-CG 3.31Å; E74-L78 PolarHBondContact O-N 3.45Å; E74-L203 HydrophobicContact CB-CD2 3.95Å
75I98.3Very high97.8Very high68 Ų6875.8 Ų75.835%0.34937%0.37SS..Hα-helixtrans-56.4-48173.1-73171.2000110.3V71 K77 L78 V79 L203V71-I75 HydrophobicContact CG1-CD1 3.74Å; V71-I75 HydrophobicContact CG1-CG1 4.44Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.21Å; V71-I75 PolarHBondContact O-N 2.92Å; I75-K77 VanDerWaalsContact C-N 3.26Å; I75-K77 PolarHBondContact O-N 3.37Å; I75-L78 PolarHBondContact O-N 3.38Å; I75-V79 HydrophobicContact CG2-CG2 4.26Å; I75-V79 WeakPolarHBondContact O-CB 3.33Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.47Å; I75-V79 PolarHBondContact O-N 3.49Å; I75-L203 HydrophobicContact CD1-CD1 4.36Å; I75-L203 HydrophobicContact CG1-CD1 3.52Å
76T98.1Very high97.9Very high80 Ų8077.7 Ų77.749%0.49137%0.373SS..Hα-helixtrans-60.9-38.7-178.5-59.70000111.7L72 T73 E74 K80L72-T76 WeakPolarHBondContact O-CB 3.23Å; L72-T76 PolarHBondContact O-N 3.02Å; L72-T76 PolarHBondContact O-OG1 2.89Å; T73-T76 PolarHBondContact O-N 3.49Å; E74-T76 VanDerWaalsContact C-N 3.31Å; E74-T76 PolarHBondContact O-N 3.13Å; T76-K80 WeakPolarHBondContact O-CG 3.37Å; T76-K80 PolarHBondContact O-N 2.96Å
77K98.3Very high98Very high102 Ų10284.1 Ų84.144%0.44340%0.397SS..Hα-helixtrans-66.4-52.3175177.5-175.6165.5-163.50111.6T73 E74 I75 V79 K80 E81T73-K77 PolarHBondContact O-N 3.42Å; T73-K77 VanDerWaalsContact O-N 3.07Å; E74-K77 WeakPolarHBondContact O-CB 3.37Å; E74-K77 PolarHBondContact O-N 2.78Å; I75-K77 VanDerWaalsContact C-N 3.26Å; I75-K77 PolarHBondContact O-N 3.37Å; K77-V79 VanDerWaalsContact C-N 3.32Å; K77-V79 PolarHBondContact O-N 3.42Å; K77-K80 WeakPolarHBondContact O-CB 3.25Å; K77-K80 PolarHBondContact O-N 2.8Å; K77-E81 WeakPolarHBondContact CE-OE1 3.28Å; K77-E81 WeakPolarHBondContact CG-OE1 3.21Å; K77-E81 PolarHBondContact O-N 3.4Å
78L98.5Very high98Very high20 Ų2088.9 Ų88.911%0.10541%0.413CS..Hα-helixtrans-58.8-41.4-179.7-72170.1000112.3E74 I75 K80 E81 F82 Q199 L203E74-L78 WeakPolarHBondContact O-CB 3.08Å; E74-L78 VanDerWaalsContact O-CG 3.31Å; E74-L78 WeakPolarHBondContact O-CG 3.31Å; E74-L78 PolarHBondContact O-N 3.45Å; I75-L78 PolarHBondContact O-N 3.38Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 2.68Å; L78-E81 PolarHBondContact O-N 3.41Å; L78-F82 HydrophobicContact CB-CD2 4.23Å; L78-F82 HydrophobicContact CB-CE2 4.13Å; L78-F82 HydrophobicContact CD2-CE2 4.04Å; L78-F82 WeakPolarHBondContact O-CD2 3.39Å; L78-F82 PolarHBondContact O-N 3.19Å; L78-Q199 HydrophobicContact CD1-CB 3.8Å; L78-Q199 HydrophobicContact CD1-CG 4.28Å; L78-Q199 HydrophobicContact CD2-CB 4.38Å; L78-Q199 HydrophobicContact CD2-CG 3.95Å; L78-L203 HydrophobicContact CD1-CD1 3.83Å
79V98.5Very high98.1Very high70 Ų7085.3 Ų85.342%0.42440%0.397SS..Hα-helixtrans-58.4-42176.1167.60000111.4I75 K77 K83I75-V79 HydrophobicContact CG2-CG2 4.26Å; I75-V79 WeakPolarHBondContact O-CB 3.33Å; I75-V79 VanDerWaalsContact O-CG2 3.29Å; I75-V79 WeakPolarHBondContact O-CG2 3.47Å; I75-V79 PolarHBondContact O-N 3.49Å; K77-V79 VanDerWaalsContact C-N 3.32Å; K77-V79 PolarHBondContact O-N 3.42Å; V79-K83 HydrophobicContact CG1-CD 4.11Å; V79-K83 WeakPolarHBondContact O-CB 3.41Å; V79-K83 VanDerWaalsContact O-CG 3.25Å; V79-K83 WeakPolarHBondContact O-CG 3.46Å; V79-K83 PolarHBondContact O-N 2.94Å; V79-K83 VanDerWaalsContact O-N 3.1Å
80K98.5Very high98.2Very high148 Ų14883 Ų8364%0.64339%0.385SS*.Hα-helixtrans-66.3-45177.3-70.1176.1-178.3178.40111.2T76 K77 L78 K83 E84T76-K80 WeakPolarHBondContact O-CG 3.37Å; T76-K80 PolarHBondContact O-N 2.96Å; K77-K80 WeakPolarHBondContact O-CB 3.25Å; K77-K80 PolarHBondContact O-N 2.8Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 2.68Å; K80-K83 PolarHBondContact O-N 2.9Å; K80-E84 PolarHBondContact O-N 2.77Å; K80-E84 VanDerWaalsContact O-N 3.12Å
81E98.4Very high98.3Very high80 Ų8081.1 Ų81.137%0.37439%0.389SS..Hα-helixtrans-62.6-49.3-179.6-69.9173.4-179.400111.8K77 L78 K83 E84 Q85K77-E81 WeakPolarHBondContact CE-OE1 3.28Å; K77-E81 WeakPolarHBondContact CG-OE1 3.21Å; K77-E81 PolarHBondContact O-N 3.4Å; L78-E81 PolarHBondContact O-N 3.41Å; E81-K83 PolarHBondContact O-N 3.39Å; E81-E84 PolarHBondContact O-N 2.83Å; E81-Q85 WeakPolarHBondContact O-CG 3.29Å; E81-Q85 PolarHBondContact O-N 3.4Å
82F98.6Very high98.3Very high26 Ų2683.7 Ų83.711%0.11440%0.401CS..Hα-helixtrans-66.9-36.2179-72.9-56.6000113.1L78 E84 Q85 R86 M192 D195 R196 Q199L78-F82 HydrophobicContact CB-CD2 4.23Å; L78-F82 HydrophobicContact CB-CE2 4.13Å; L78-F82 HydrophobicContact CD2-CE2 4.04Å; L78-F82 WeakPolarHBondContact O-CD2 3.39Å; L78-F82 PolarHBondContact O-N 3.19Å; F82-E84 VanDerWaalsContact C-N 3.34Å; F82-E84 PolarHBondContact O-N 2.85Å; F82-Q85 PolarHBondContact O-N 3.23Å; F82-R86 WeakPolarHBondContact O-CB 3.44Å; F82-R86 PolarHBondContact O-N 2.91Å; F82-M192 HydrophobicContact CD1-CG 3.72Å; F82-M192 HydrophobicContact CE1-CG 4.11Å; F82-M192 WeakPolarHBondContact CE1-O 3.34Å; F82-D195 HydrophobicContact CE1-CB 4.4Å; F82-D195 WeakPolarHBondContact CE1-OD2 3.46Å; F82-D195 HydrophobicContact CZ-CB 4.48Å; F82-D195 WeakPolarHBondContact CZ-OD2 3.45Å; F82-R196 HydrophobicContact CD1-CB 4.36Å; F82-R196 HydrophobicContact CD2-CB 4.23Å; F82-R196 HydrophobicContact CD2-CG 4.22Å; F82-R196 HydrophobicContact CE1-CB 3.99Å; F82-R196 HydrophobicContact CE2-CB 3.84Å; F82-R196 HydrophobicContact CE2-CG 4.1Å; F82-R196 HydrophobicContact CG-CB 4.5Å; F82-R196 HydrophobicContact CZ-CB 3.73Å; F82-R196 HydrophobicContact CZ-CG 4.49Å; F82-Q199 HydrophobicContact CE2-CG 4.4Å; F82-Q199 HydrophobicContact CZ-CG 4.19Å
83K98.6Very high98.4Very high149 Ų14981.2 Ų81.265%0.64839%0.389SS*.Hα-helixtrans-61-44173.9-81-179.6176-176.60111.7V79 K80 E81 K87V79-K83 HydrophobicContact CG1-CD 4.11Å; V79-K83 WeakPolarHBondContact O-CB 3.41Å; V79-K83 VanDerWaalsContact O-CG 3.25Å; V79-K83 WeakPolarHBondContact O-CG 3.46Å; V79-K83 PolarHBondContact O-N 2.94Å; V79-K83 VanDerWaalsContact O-N 3.1Å; K80-K83 PolarHBondContact O-N 2.9Å; E81-K83 PolarHBondContact O-N 3.39Å; K83-K87 WeakPolarHBondContact O-CB 3.32Å; K83-K87 PolarHBondContact O-N 2.86Å
84E98.6Very high98.4Very high91 Ų9183.2 Ų83.243%0.42540%0.397SS..Hα-helixtrans-68.5-44.7178.6-176.257.7-152.700111.6K80 E81 F82 K87 R88K80-E84 PolarHBondContact O-N 2.77Å; K80-E84 VanDerWaalsContact O-N 3.12Å; E81-E84 PolarHBondContact O-N 2.83Å; F82-E84 VanDerWaalsContact C-N 3.34Å; F82-E84 PolarHBondContact O-N 2.85Å; E84-K87 PolarHBondContact O-N 3.2Å; E84-R88 WeakPolarHBondContact O-CG 3.25Å; E84-R88 PolarHBondContact O-N 2.89Å
85Q98.4Very high98.5Very high63 Ų6386.2 Ų86.229%0.29441%0.405SS..Hα-helixtrans-59.1-49175.4-71.2-175.544.600112E81 F82 K87 R88 L89 M192E81-Q85 WeakPolarHBondContact O-CG 3.29Å; E81-Q85 PolarHBondContact O-N 3.4Å; F82-Q85 PolarHBondContact O-N 3.23Å; Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 2.88Å; Q85-R88 PolarHBondContact O-N 3.24Å; Q85-L89 WeakPolarHBondContact O-CG 3.42Å; Q85-L89 PolarHBondContact O-N 2.93Å; Q85-M192 HydrophobicContact CB-CG 4.31Å; Q85-M192 HydrophobicContact CB-SD 3.79Å
86R98.7Very high98.5Very high146 Ų14683.1 Ų83.155%0.55139%0.39SS*.Hα-helixtrans-58.8-44.7177.5-177.5176178-93.41.8111.7F82 R88 L89 L90 M192F82-R86 WeakPolarHBondContact O-CB 3.44Å; F82-R86 PolarHBondContact O-N 2.91Å; R86-R88 PolarHBondContact O-N 3.48Å; R86-L89 PolarHBondContact O-N 3.43Å; R86-L90 HydrophobicContact CG-CD1 3.94Å; R86-L90 HydrophobicContact CG-CG 4.37Å; R86-L90 WeakPolarHBondContact O-CB 3.15Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å; R86-L90 PolarHBondContact O-N 2.92Å; R86-M192 HydrophobicContact CB-CE 4.01Å; R86-M192 HydrophobicContact CB-SD 3.94Å; R86-M192 HydrophobicContact CG-CE 4.36Å
87K98.7Very high98.5Very high147 Ų14782.4 Ų82.464%0.63938%0.381SS*.Hα-helixtrans-59.8-44.9178.1-176.9-177.7176.6-173.60111.7K83 E84 Q85 A91K83-K87 WeakPolarHBondContact O-CB 3.32Å; K83-K87 PolarHBondContact O-N 2.86Å; E84-K87 PolarHBondContact O-N 3.2Å; Q85-K87 VanDerWaalsContact C-N 3.34Å; Q85-K87 PolarHBondContact O-N 2.88Å; K87-A91 WeakPolarHBondContact O-CB 3.37Å; K87-A91 PolarHBondContact O-N 2.83Å
88R98.7Very high98.5Very high151 Ų15182.4 Ų82.457%0.5738%0.383SS*.Hα-helixtrans-64.1-42.9178.2-69.8-174.7-59.6-160.13.2112.4E84 Q85 R86 A91 E92E84-R88 WeakPolarHBondContact O-CG 3.25Å; E84-R88 PolarHBondContact O-N 2.89Å; Q85-R88 PolarHBondContact O-N 3.24Å; R86-R88 PolarHBondContact O-N 3.48Å; R88-A91 PolarHBondContact O-N 3.33Å; R88-E92 PolarHBondContact O-N 2.87Å; R88-E92 VanDerWaalsContact O-N 3.16Å
89L98.7Very high98.5Very high29 Ų2984.3 Ų84.315%0.15239%0.393CS..Hα-helixtrans-67.7-41.4179.3-70169.9000112.1Q85 R86 E92 V93 V185 K188 L189 M192Q85-L89 WeakPolarHBondContact O-CG 3.42Å; Q85-L89 PolarHBondContact O-N 2.93Å; R86-L89 PolarHBondContact O-N 3.43Å; L89-E92 WeakPolarHBondContact O-CB 3.48Å; L89-E92 PolarHBondContact O-N 3.2Å; L89-V93 PolarHBondContact O-N 2.88Å; L89-V93 VanDerWaalsContact O-N 3.12Å; L89-V185 HydrophobicContact CD2-CG1 4.39Å; L89-V185 WeakPolarHBondContact O-CG1 3.4Å; L89-K188 HydrophobicContact CD1-CB 4.31Å; L89-K188 HydrophobicContact CD2-CB 3.74Å; L89-K188 HydrophobicContact CD2-CD 4.13Å; L89-L189 HydrophobicContact CB-CD2 3.7Å; L89-L189 HydrophobicContact CB-CG 3.89Å; L89-L189 HydrophobicContact CD1-CD2 3.71Å; L89-L189 HydrophobicContact CD1-CG 3.93Å; L89-L189 HydrophobicContact CG-CD2 4.36Å; L89-L189 HydrophobicContact CG-CG 4.48Å; L89-M192 HydrophobicContact CD1-CB 4.48Å; L89-M192 HydrophobicContact CD1-SD 4.14Å
90L98.6Very high98.5Very high59 Ų5982.3 Ų82.331%0.30938%0.378SS..Hα-helixtrans-67.2-39176.1-68.8177.2000112.3R86 E92 V93 D94 L189R86-L90 HydrophobicContact CG-CD1 3.94Å; R86-L90 HydrophobicContact CG-CG 4.37Å; R86-L90 WeakPolarHBondContact O-CB 3.15Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å; R86-L90 PolarHBondContact O-N 2.92Å; L90-E92 PolarHBondContact O-N 2.72Å; L90-V93 WeakPolarHBondContact O-CB 3.41Å; L90-V93 PolarHBondContact O-N 2.73Å; L90-V93 VanDerWaalsContact O-N 3.08Å; L90-D94 PolarHBondContact O-N 2.89Å; L90-L189 HydrophobicContact CD2-CD1 4.19Å
91A98.6Very high98.5Very high54 Ų5477.4 Ų77.445%0.44636%0.36SS..Hα-helixtrans-60.8-32.7173.900000112.4K87 R88 R95K87-A91 WeakPolarHBondContact O-CB 3.37Å; K87-A91 PolarHBondContact O-N 2.83Å; R88-A91 PolarHBondContact O-N 3.33Å; A91-R95 WeakPolarHBondContact O-CB 3.46Å; A91-R95 PolarHBondContact O-N 2.95Å
92E98.4Very high98.5Very high66 Ų6676.6 Ų76.631%0.30836%0.358SS..Hα-helixtrans-69.4-40.2173.6-178.464.6-177.900111.9R88 L89 L90 R95 L96 V185R88-E92 PolarHBondContact O-N 2.87Å; R88-E92 VanDerWaalsContact O-N 3.16Å; L89-E92 WeakPolarHBondContact O-CB 3.48Å; L89-E92 PolarHBondContact O-N 3.2Å; L90-E92 PolarHBondContact O-N 2.72Å; E92-R95 PolarHBondContact O-N 2.94Å; E92-R95 IonicContact OE1-CZ 2.75Å; E92-R95 IonicContact OE1-NE 3.64Å; E92-R95 IonicContact OE1-NH2 3.08Å; E92-R95 PolarHBondContact OE1-NH2 3.18Å; E92-R95 IonicContact OE2-CZ 2.62Å; E92-R95 IonicContact OE2-NE 3.94Å; E92-R95 PolarHBondContact OE2-NE 3.31Å; E92-R95 IonicContact OE2-NH2 3.63Å; E92-R95 PolarHBondContact OE2-NH2 3.27Å; E92-L96 HydrophobicContact CG-CD1 4.3Å; E92-L96 VanDerWaalsContact O-CG 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 3.42Å; E92-V185 HydrophobicContact CB-CG1 4.44Å; E92-V185 HydrophobicContact CG-CG1 4.41Å; E92-V185 HydrophobicContact CG-CG2 3.73Å
93V98.5Very high98.5Very high29 Ų2976.5 Ų76.518%0.17636%0.362CS..Hα-helixtrans-57.8-50.3172176.40000110.4L89 L90 R95 L96 E97 L182 V185L89-V93 PolarHBondContact O-N 2.88Å; L89-V93 VanDerWaalsContact O-N 3.12Å; L90-V93 WeakPolarHBondContact O-CB 3.41Å; L90-V93 PolarHBondContact O-N 2.73Å; L90-V93 VanDerWaalsContact O-N 3.08Å; V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 2.91Å; V93-L96 PolarHBondContact O-N 3.04Å; V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 PolarHBondContact O-N 3.26Å; V93-L182 HydrophobicContact CG1-CD1 4.23Å; V93-V185 HydrophobicContact CG2-CB 4.3Å; V93-V185 HydrophobicContact CG2-CG1 3.53Å
94D98.5Very high98.5Very high113 Ų11371 Ų7160%0.60434%0.339SS*.Hα-helixtrans-60.5-41179.6-66.5-25.6000111.6L90 E97 Q98L90-D94 PolarHBondContact O-N 2.89Å; D94-E97 PolarHBondContact O-N 3.34Å; D94-Q98 VanDerWaalsContact O-CB 3.31Å; D94-Q98 WeakPolarHBondContact O-CB 3.29Å; D94-Q98 PolarHBondContact O-N 3.34Å
95R98.6Very high98.5Very high119 Ų11972 Ų7245%0.44934%0.344SS..Hα-helixtrans-62-46.1176.9-171.8-169.371.576.43.6111.8A91 E92 V93 Q98 N99A91-R95 WeakPolarHBondContact O-CB 3.46Å; A91-R95 PolarHBondContact O-N 2.95Å; E92-R95 PolarHBondContact O-N 2.94Å; E92-R95 IonicContact OE1-CZ 2.75Å; E92-R95 IonicContact OE1-NE 3.64Å; E92-R95 IonicContact OE1-NH2 3.08Å; E92-R95 PolarHBondContact OE1-NH2 3.18Å; E92-R95 IonicContact OE2-CZ 2.62Å; E92-R95 IonicContact OE2-NE 3.94Å; E92-R95 PolarHBondContact OE2-NE 3.31Å; E92-R95 IonicContact OE2-NH2 3.63Å; E92-R95 PolarHBondContact OE2-NH2 3.27Å; V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 2.91Å; R95-Q98 PolarHBondContact O-N 3.19Å; R95-N99 PolarHBondContact NH1-ND2 3.27Å; R95-N99 PolarHBondContact O-N 3.04Å; R95-N99 PolarHBondContact O-ND2 3.05Å; R95-N99 VanDerWaalsContact O-ND2 3.07Å
96L98.5Very high98.4Very high4 Ų471.8 Ų71.82%0.02135%0.349CS..Hα-helixtrans-64.9-43.4178.9-69.3173000111.3E92 V93 N99 R100 F177 L181 V185E92-L96 HydrophobicContact CG-CD1 4.3Å; E92-L96 VanDerWaalsContact O-CG 3.25Å; E92-L96 WeakPolarHBondContact O-CG 3.31Å; E92-L96 PolarHBondContact O-N 3.42Å; V93-L96 PolarHBondContact O-N 3.04Å; L96-N99 PolarHBondContact O-N 3.38Å; L96-R100 PolarHBondContact O-N 3.04Å; L96-R100 VanDerWaalsContact O-N 3.09Å; L96-F177 HydrophobicContact CB-CD2 4.08Å; L96-F177 HydrophobicContact CB-CE2 3.72Å; L96-L181 HydrophobicContact CD1-CB 3.97Å; L96-L181 HydrophobicContact CD2-CB 4.19Å; L96-L181 HydrophobicContact CD2-CD1 4.02Å; L96-V185 HydrophobicContact CD1-CG2 3.85Å
97E98.1Very high98.4Very high65 Ų6566.4 Ų66.430%0.30433%0.331SS..Hα-helixtrans-64.7-42.5177.7-175.664-173.100111.3V93 D94 N99 R100 V101 F177V93-E97 WeakPolarHBondContact O-CB 3.46Å; V93-E97 PolarHBondContact O-N 3.26Å; D94-E97 PolarHBondContact O-N 3.34Å; E97-N99 PolarHBondContact O-N 3.42Å; E97-R100 VanDerWaalsContact O-CB 3.29Å; E97-R100 WeakPolarHBondContact O-CB 3.41Å; E97-R100 PolarHBondContact O-N 2.73Å; E97-R100 VanDerWaalsContact O-N 3.15Å; E97-R100 IonicContact OE1-CZ 3.28Å; E97-R100 IonicContact OE1-NE 2.71Å; E97-R100 IonicContact OE1-NH2 3.04Å; E97-R100 PolarHBondContact OE1-NH2 3.38Å; E97-R100 IonicContact OE2-CZ 3.49Å; E97-R100 IonicContact OE2-NE 3.35Å; E97-R100 PolarHBondContact OE2-NE 2.86Å; E97-R100 IonicContact OE2-NH2 2.82Å; E97-V101 WeakPolarHBondContact O-CG2 3.44Å; E97-V101 PolarHBondContact O-N 2.98Å; E97-F177 WeakPolarHBondContact OE2-CZ 3.47Å
98Q98.4Very high98.4Very high102 Ų10265.6 Ų65.648%0.47733%0.327SS..Hα-helixtrans-62.4-41.7176.2-172.662.249.600112.1D94 R95 R100 V101 N102D94-Q98 VanDerWaalsContact O-CB 3.31Å; D94-Q98 WeakPolarHBondContact O-CB 3.29Å; D94-Q98 PolarHBondContact O-N 3.34Å; R95-Q98 PolarHBondContact O-N 3.19Å; Q98-R100 VanDerWaalsContact C-N 3.27Å; Q98-R100 PolarHBondContact O-N 3.5Å; Q98-V101 PolarHBondContact O-N 2.96Å; Q98-N102 PolarHBondContact NE2-OD1 3.28Å; Q98-N102 WeakPolarHBondContact O-CB 3.47Å; Q98-N102 PolarHBondContact O-N 2.87Å; Q98-N102 PolarHBondContact O-ND2 3.43Å; Q98-N102 PolarHBondContact O-OD1 3.08Å
99N98.4Very high98.4Very high59 Ų5964.9 Ų64.932%0.31633%0.328SS..Hα-helixtrans-60.7-39.4175.3-69.9-29.5000111.7R95 L96 E97 N102 A103 Y173R95-N99 PolarHBondContact NH1-ND2 3.27Å; R95-N99 PolarHBondContact O-N 3.04Å; R95-N99 PolarHBondContact O-ND2 3.05Å; R95-N99 VanDerWaalsContact O-ND2 3.07Å; L96-N99 PolarHBondContact O-N 3.38Å; E97-N99 PolarHBondContact O-N 3.42Å; N99-N102 PolarHBondContact O-N 3.39Å; N99-A103 PolarHBondContact O-N 2.79Å; N99-Y173 HydrophobicContact CB-CE1 4.04Å; N99-Y173 VanDerWaalsContact CB-OH 3.23Å; N99-Y173 WeakPolarHBondContact CB-OH 3.49Å
100R98.2Very high98.4Very high29 Ų2963.8 Ų63.811%0.10932%0.324CS..Hα-helixtrans-64.4-47.3176.8-161.6-175.669.868.31.8111.6L96 E97 Q98 A103 I104 Y173 F177L96-R100 PolarHBondContact O-N 3.04Å; L96-R100 VanDerWaalsContact O-N 3.09Å; E97-R100 VanDerWaalsContact O-CB 3.29Å; E97-R100 WeakPolarHBondContact O-CB 3.41Å; E97-R100 PolarHBondContact O-N 2.73Å; E97-R100 VanDerWaalsContact O-N 3.15Å; E97-R100 IonicContact OE1-CZ 3.28Å; E97-R100 IonicContact OE1-NE 2.71Å; E97-R100 IonicContact OE1-NH2 3.04Å; E97-R100 PolarHBondContact OE1-NH2 3.38Å; E97-R100 IonicContact OE2-CZ 3.49Å; E97-R100 IonicContact OE2-NE 3.35Å; E97-R100 PolarHBondContact OE2-NE 2.86Å; E97-R100 IonicContact OE2-NH2 2.82Å; Q98-R100 VanDerWaalsContact C-N 3.27Å; Q98-R100 PolarHBondContact O-N 3.5Å; R100-A103 PolarHBondContact O-N 3.47Å; R100-I104 WeakPolarHBondContact O-CG1 3.45Å; R100-I104 PolarHBondContact O-N 3.34Å; R100-I104 VanDerWaalsContact O-N 3.07Å; R100-Y173 HydrophobicContact CB-CD1 4.04Å; R100-Y173 HydrophobicContact CB-CE1 3.73Å; R100-Y173 HydrophobicContact CG-CD1 4.08Å; R100-Y173 HydrophobicContact CG-CE1 4.2Å; R100-F177 VanDerWaalsContact CD-CD1 3.43Å; R100-F177 HydrophobicContact CG-CG 4.41Å
101V98.3Very high98.4Very high44 Ų4465.4 Ų65.427%0.26733%0.328SS..Hα-helixtrans-60.7-45.6176.6171.60000110.6E97 Q98 A103 I104 E105E97-V101 WeakPolarHBondContact O-CG2 3.44Å; E97-V101 PolarHBondContact O-N 2.98Å; Q98-V101 PolarHBondContact O-N 2.96Å; V101-A103 VanDerWaalsContact C-N 3.32Å; V101-A103 PolarHBondContact O-N 3.48Å; V101-I104 WeakPolarHBondContact O-CB 3.3Å; V101-I104 PolarHBondContact O-N 2.87Å; V101-I104 VanDerWaalsContact O-N 3.15Å; V101-E105 HydrophobicContact CG1-CG 4.41Å; V101-E105 WeakPolarHBondContact O-CG 3.47Å; V101-E105 PolarHBondContact O-N 3.26Å
102N98.3Very high98.4Very high64 Ų6469.9 Ų69.934%0.34234%0.337SS..Hα-helixtrans-59.7-39.6177.2-69-13.8000112.5Q98 N99 E105 S106Q98-N102 PolarHBondContact NE2-OD1 3.28Å; Q98-N102 WeakPolarHBondContact O-CB 3.47Å; Q98-N102 PolarHBondContact O-N 2.87Å; Q98-N102 PolarHBondContact O-ND2 3.43Å; Q98-N102 PolarHBondContact O-OD1 3.08Å; N99-N102 PolarHBondContact O-N 3.39Å; N102-E105 PolarHBondContact O-N 2.77Å; N102-S106 WeakPolarHBondContact O-CB 3.22Å; N102-S106 PolarHBondContact O-N 3.12Å; N102-S106 PolarHBondContact O-OG 3.32Å
103A98.1Very high98.4Very high23 Ų2371.3 Ų71.319%0.1934%0.344CS..Hα-helixtrans-63.6-45.6175.100000111.3N99 R100 V101 E105 S106 M107 T170N99-A103 PolarHBondContact O-N 2.79Å; R100-A103 PolarHBondContact O-N 3.47Å; V101-A103 VanDerWaalsContact C-N 3.32Å; V101-A103 PolarHBondContact O-N 3.48Å; A103-E105 PolarHBondContact O-N 3.37Å; A103-S106 PolarHBondContact O-N 3.33Å; A103-M107 WeakPolarHBondContact O-CB 3.49Å; A103-M107 PolarHBondContact O-N 3.06Å; A103-T170 HydrophobicContact CB-CG2 4.37Å; A103-T170 PolarHBondContact O-OG1 2.69Å
104I98.6Very high98.4Very high34 Ų3472.8 Ų72.817%0.17435%0.347CS..Hα-helixtrans-61.4-42.9176.7-69.3169.2000111.5R100 V101 M107 K108 T170R100-I104 WeakPolarHBondContact O-CG1 3.45Å; R100-I104 PolarHBondContact O-N 3.34Å; R100-I104 VanDerWaalsContact O-N 3.07Å; V101-I104 WeakPolarHBondContact O-CB 3.3Å; V101-I104 PolarHBondContact O-N 2.87Å; V101-I104 VanDerWaalsContact O-N 3.15Å; I104-M107 HydrophobicContact CG2-CE 4.47Å; I104-M107 PolarHBondContact O-N 3.3Å; I104-K108 HydrophobicContact CG2-CD 4.05Å; I104-K108 HydrophobicContact CG2-CG 4.42Å; I104-K108 WeakPolarHBondContact O-CB 3.35Å; I104-K108 VanDerWaalsContact O-CG 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.28Å; I104-K108 PolarHBondContact O-N 2.84Å; I104-T170 HydrophobicContact CG1-CG2 3.72Å
105E98.5Very high98.4Very high113 Ų11371.6 Ų71.653%0.52834%0.338SS..Hα-helixtrans-64.3-42.2177.5-73.3-177173.800112.1V101 N102 A103 K108 K109V101-E105 HydrophobicContact CG1-CG 4.41Å; V101-E105 WeakPolarHBondContact O-CG 3.47Å; V101-E105 PolarHBondContact O-N 3.26Å; N102-E105 PolarHBondContact O-N 2.77Å; A103-E105 PolarHBondContact O-N 3.37Å; E105-K108 PolarHBondContact O-N 3.15Å; E105-K109 WeakPolarHBondContact O-CB 3.43Å; E105-K109 PolarHBondContact O-N 2.83Å
106S98.3Very high98.4Very high58 Ų5871.5 Ų71.541%0.40634%0.341SS..Hα-helixtrans-61.6-45.2176.2-60.10000111.5N102 A103 K109 A110N102-S106 WeakPolarHBondContact O-CB 3.22Å; N102-S106 PolarHBondContact O-N 3.12Å; N102-S106 PolarHBondContact O-OG 3.32Å; A103-S106 PolarHBondContact O-N 3.33Å; S106-K109 PolarHBondContact O-N 3.39Å; S106-A110 PolarHBondContact O-N 3.08Å
107M98.4Very high98.4Very high32 Ų3271.8 Ų71.816%0.15834%0.344CS..Hα-helixtrans-63-43.3174177.2-159.364.900112.4A103 I104 K109 A110 K111 Y163 E166 L167 T170A103-M107 WeakPolarHBondContact O-CB 3.49Å; A103-M107 PolarHBondContact O-N 3.06Å; I104-M107 HydrophobicContact CG2-CE 4.47Å; I104-M107 PolarHBondContact O-N 3.3Å; M107-K109 VanDerWaalsContact C-N 3.32Å; M107-K109 PolarHBondContact O-N 2.8Å; M107-A110 PolarHBondContact O-N 3.33Å; M107-K111 WeakPolarHBondContact O-CB 3.05Å; M107-K111 PolarHBondContact O-N 3.3Å; M107-Y163 HydrophobicContact CG-CD2 4.45Å; M107-Y163 HydrophobicContact CG-CE2 3.99Å; M107-E166 HydrophobicContact CB-CB 4.28Å; M107-L167 HydrophobicContact CG-CB 4.4Å; M107-L167 HydrophobicContact CG-CD1 4.43Å; M107-L167 HydrophobicContact SD-CB 4.42Å; M107-L167 HydrophobicContact SD-CD1 3.48Å; M107-L167 WeakPolarHBondContact SD-CD1 3.44Å; M107-T170 WeakPolarHBondContact CB-OG1 3.3Å; M107-T170 HydrophobicContact CE-CG2 4.36Å; M107-T170 HydrophobicContact SD-CG2 4.03Å
108K98.5Very high98.3Very high130 Ų13070.2 Ų70.257%0.56534%0.339SS*.Hα-helixtrans-61.5-40.4176.8-78.4173.8179.31750111.6I104 E105 K111 K112I104-K108 HydrophobicContact CG2-CD 4.05Å; I104-K108 HydrophobicContact CG2-CG 4.42Å; I104-K108 WeakPolarHBondContact O-CB 3.35Å; I104-K108 VanDerWaalsContact O-CG 3.29Å; I104-K108 WeakPolarHBondContact O-CG 3.28Å; I104-K108 PolarHBondContact O-N 2.84Å; E105-K108 PolarHBondContact O-N 3.15Å; K108-K111 PolarHBondContact O-N 3.43Å; K108-K112 PolarHBondContact O-N 3.49Å
109K98.5Very high98.3Very high136 Ų13672.7 Ų72.759%0.59134%0.344SS*.Hα-helixtrans-63.4-48.7175.3-175.8-177.8173.6-172.60111.2E105 S106 M107 K111 K112 E113E105-K109 WeakPolarHBondContact O-CB 3.43Å; E105-K109 PolarHBondContact O-N 2.83Å; S106-K109 PolarHBondContact O-N 3.39Å; M107-K109 VanDerWaalsContact C-N 3.32Å; M107-K109 PolarHBondContact O-N 2.8Å; K109-K111 VanDerWaalsContact C-N 3.29Å; K109-K111 PolarHBondContact O-N 3.17Å; K109-K112 PolarHBondContact O-N 3.27Å; K109-K112 VanDerWaalsContact O-N 3.15Å; K109-E113 WeakPolarHBondContact CE-OE1 3.31Å; K109-E113 WeakPolarHBondContact O-CG 3.43Å; K109-E113 PolarHBondContact O-N 2.82Å
110A98.5Very high98.3Very high7 Ų772.7 Ų72.76%0.05834%0.343CS..Hα-helixtrans-59.7-39.5176.800000112.2S106 M107 E113 Y114 T162 Y163 E166S106-A110 PolarHBondContact O-N 3.08Å; M107-A110 PolarHBondContact O-N 3.33Å; A110-E113 PolarHBondContact O-N 2.92Å; A110-Y114 WeakPolarHBondContact O-CB 3.47Å; A110-Y114 PolarHBondContact O-N 3.4Å; A110-T162 HydrophobicContact CB-CG2 4.44Å; A110-Y163 HydrophobicContact CB-CD2 4.44Å; A110-E166 HydrophobicContact CB-CB 4.25Å; A110-E166 HydrophobicContact CB-CG 4.09Å
111K98.7Very high98.3Very high93 Ų9371.8 Ų71.840%0.40434%0.341SS..Hα-helixtrans-59.4-48.2173.6-171.3-176.2177.3-168.60111.9M107 K108 K109 E113 Y114 E115 Y163M107-K111 WeakPolarHBondContact O-CB 3.05Å; M107-K111 PolarHBondContact O-N 3.3Å; K108-K111 PolarHBondContact O-N 3.43Å; K109-K111 VanDerWaalsContact C-N 3.29Å; K109-K111 PolarHBondContact O-N 3.17Å; K111-E113 VanDerWaalsContact C-N 3.31Å; K111-E113 PolarHBondContact O-N 3.26Å; K111-Y114 WeakPolarHBondContact O-CB 3.4Å; K111-Y114 PolarHBondContact O-N 2.9Å; K111-E115 WeakPolarHBondContact CE-OE1 3.37Å; K111-E115 IonicContact NZ-OE1 2.76Å; K111-E115 WeakPolarHBondContact O-CG 3.41Å; K111-E115 PolarHBondContact O-N 3.39Å; K111-Y163 HydrophobicContact CB-CD2 3.73Å; K111-Y163 HydrophobicContact CB-CE2 3.56Å; K111-Y163 HydrophobicContact CB-CG 4.45Å; K111-Y163 HydrophobicContact CD-CE2 4.35Å; K111-Y163 HydrophobicContact CG-CD2 4.35Å; K111-Y163 HydrophobicContact CG-CE1 4.4Å; K111-Y163 HydrophobicContact CG-CE2 3.9Å
112K98.5Very high98.2Very high147 Ų14775.8 Ų75.864%0.63936%0.357SS*.Hα-helixtrans-63.1-37.9179.4-174.5179.1179.6179.30112.1K108 K109 K116K108-K112 PolarHBondContact O-N 3.49Å; K109-K112 PolarHBondContact O-N 3.27Å; K109-K112 VanDerWaalsContact O-N 3.15Å; K112-K116 WeakPolarHBondContact O-CB 3.3Å; K112-K116 PolarHBondContact O-N 2.96Å
113E98.3Very high98.2Very high97 Ų9777.6 Ų77.645%0.45337%0.366SS..Hα-helixtrans-65.4-43.2175-73.2174-173.200111.6K109 A110 K111 K116 A117K109-E113 WeakPolarHBondContact CE-OE1 3.31Å; K109-E113 WeakPolarHBondContact O-CG 3.43Å; K109-E113 PolarHBondContact O-N 2.82Å; A110-E113 PolarHBondContact O-N 2.92Å; K111-E113 VanDerWaalsContact C-N 3.31Å; K111-E113 PolarHBondContact O-N 3.26Å; E113-K116 PolarHBondContact O-N 2.85Å; E113-A117 WeakPolarHBondContact O-CB 3.28Å; E113-A117 PolarHBondContact O-N 3.13Å
114Y98.6Very high98.1Very high59 Ų5976.8 Ų76.823%0.23136%0.359CS..Hα-helixtrans-60.7-49.3173.7173.5-126.6000112.3A110 K111 K116 A117 C118 A159 K160 Y163A110-Y114 WeakPolarHBondContact O-CB 3.47Å; A110-Y114 PolarHBondContact O-N 3.4Å; K111-Y114 WeakPolarHBondContact O-CB 3.4Å; K111-Y114 PolarHBondContact O-N 2.9Å; Y114-K116 PolarHBondContact O-N 3.44Å; Y114-A117 PolarHBondContact O-N 3.4Å; Y114-A117 VanDerWaalsContact O-N 3.14Å; Y114-C118 WeakPolarHBondContact CE2-SG 3.45Å; Y114-C118 VanDerWaalsContact CZ-SG 3.52Å; Y114-C118 PolarHBondContact O-N 3.29Å; Y114-A159 HydrophobicContact CD2-CB 4.34Å; Y114-K160 HydrophobicContact CD2-CB 3.74Å; Y114-K160 HydrophobicContact CD2-CG 4.4Å; Y114-K160 HydrophobicContact CE1-CG 4.49Å; Y114-K160 HydrophobicContact CE2-CB 3.42Å; Y114-K160 VanDerWaalsContact CE2-CB 3.42Å; Y114-K160 HydrophobicContact CE2-CD 4.27Å; Y114-K160 HydrophobicContact CE2-CG 3.76Å; Y114-Y163 AromaticContact CD1-CD1 3.95Å; Y114-Y163 HydrophobicContact CD1-CD1 3.95Å
115E98.3Very high98.1Very high88 Ų8877.3 Ų77.341%0.41136%0.362SS..Hα-helixtrans-58.6-34.5176.7-73.6172.5179.300112.9K111 R119K111-E115 WeakPolarHBondContact CE-OE1 3.37Å; K111-E115 IonicContact NZ-OE1 2.76Å; K111-E115 WeakPolarHBondContact O-CG 3.41Å; K111-E115 PolarHBondContact O-N 3.39Å; E115-R119 WeakPolarHBondContact O-CG 3.4Å; E115-R119 PolarHBondContact O-N 2.9Å; E115-R119 PolarHBondContact O-NE 2.87Å; E115-R119 VanDerWaalsContact O-NE 3.07Å
116K98.3Very high98Very high118 Ų11874.8 Ų74.851%0.51336%0.357SS..Hα-helixtrans-71.2-47.9174.5-179.2-178.2169.1-174.80111.1K112 E113 Y114 C118 R119 E120K112-K116 WeakPolarHBondContact O-CB 3.3Å; K112-K116 PolarHBondContact O-N 2.96Å; E113-K116 PolarHBondContact O-N 2.85Å; Y114-K116 PolarHBondContact O-N 3.44Å; K116-C118 VanDerWaalsContact C-N 3.33Å; K116-C118 PolarHBondContact O-N 3.39Å; K116-R119 PolarHBondContact O-N 3.34Å; K116-E120 WeakPolarHBondContact CE-OE1 3.3Å; K116-E120 IonicContact NZ-OE1 3.08Å; K116-E120 PolarHBondContact O-N 3.44Å
117A98Very high97.9Very high10 Ų1078 Ų788%0.08336%0.364CS..Hα-helixtrans-62-39.1-17900000112.2E113 Y114 E120 A121 A156 A159E113-A117 WeakPolarHBondContact O-CB 3.28Å; E113-A117 PolarHBondContact O-N 3.13Å; Y114-A117 PolarHBondContact O-N 3.4Å; Y114-A117 VanDerWaalsContact O-N 3.14Å; A117-E120 PolarHBondContact O-N 3.21Å; A117-A121 WeakPolarHBondContact O-CB 3.44Å; A117-A121 PolarHBondContact O-N 3.1Å; A117-A156 HydrophobicContact CB-CB 4.16Å; A117-A159 HydrophobicContact CB-CB 4.01Å
118C97.9Very high97.8Very high31 Ų3178.9 Ų78.921%0.20937%0.365CS..Hα-helixtrans-60.3-48.1173.5-78.50000112.7Y114 K116 E120 A121 E122Y114-C118 WeakPolarHBondContact CE2-SG 3.45Å; Y114-C118 VanDerWaalsContact CZ-SG 3.52Å; Y114-C118 PolarHBondContact O-N 3.29Å; K116-C118 VanDerWaalsContact C-N 3.33Å; K116-C118 PolarHBondContact O-N 3.39Å; C118-E120 VanDerWaalsContact C-N 3.31Å; C118-E120 PolarHBondContact O-N 3.35Å; C118-A121 WeakPolarHBondContact O-CB 3.37Å; C118-A121 PolarHBondContact O-N 3.32Å; C118-E122 WeakPolarHBondContact O-CG 3.43Å; C118-E122 PolarHBondContact O-N 3.42Å
119R97.7Very high97.6Very high154 Ų15478.5 Ų78.558%0.58136%0.364SS*.Hα-helixtrans-61.8-39178-74.8-178.1-74165.1-8112.4E115 K116 L123E115-R119 WeakPolarHBondContact O-CG 3.4Å; E115-R119 PolarHBondContact O-N 2.9Å; E115-R119 PolarHBondContact O-NE 2.87Å; E115-R119 VanDerWaalsContact O-NE 3.07Å; K116-R119 PolarHBondContact O-N 3.34Å; R119-L123 WeakPolarHBondContact O-CB 3.43Å; R119-L123 PolarHBondContact O-N 3.33Å
120E97.8Very high97.5Very high60 Ų6079.7 Ų79.728%0.2837%0.369SS..Hα-helixtrans-66.9-38.9175.7-71.9-177.1-16700112.1K116 A117 C118 S124 R152K116-E120 WeakPolarHBondContact CE-OE1 3.3Å; K116-E120 IonicContact NZ-OE1 3.08Å; K116-E120 PolarHBondContact O-N 3.44Å; A117-E120 PolarHBondContact O-N 3.21Å; C118-E120 VanDerWaalsContact C-N 3.31Å; C118-E120 PolarHBondContact O-N 3.35Å; E120-S124 WeakPolarHBondContact O-CB 3.19Å; E120-S124 PolarHBondContact O-N 3.24Å; E120-S124 PolarHBondContact O-OG 3.11Å; E120-R152 IonicContact OE2-CZ 2.65Å; E120-R152 IonicContact OE2-NH1 3.82Å; E120-R152 PolarHBondContact OE2-NH1 3.48Å
121A97.7Very high97.3Very high9 Ų979.9 Ų79.97%0.07437%0.371CS..Hα-helixtrans-62.6-51.3174.400000111.5A117 C118 L123 S124 D125 R152 A156A117-A121 WeakPolarHBondContact O-CB 3.44Å; A117-A121 PolarHBondContact O-N 3.1Å; C118-A121 WeakPolarHBondContact O-CB 3.37Å; C118-A121 PolarHBondContact O-N 3.32Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.22Å; A121-S124 PolarHBondContact O-N 3.25Å; A121-S124 VanDerWaalsContact O-N 3.12Å; A121-S124 PolarHBondContact O-OG 3.48Å; A121-D125 WeakPolarHBondContact O-CB 3.36Å; A121-D125 PolarHBondContact O-N 3.03Å; A121-R152 HydrophobicContact CB-CB 4.24Å; A121-A156 HydrophobicContact CB-CB 4.12Å
122E97.3Very high97.1Very high129 Ų12980.1 Ų80.160%0.60338%0.376SS*.Hα-helixtrans-58.1-42.7177.6-71.7169.6-173.900112.7C118 D125 S126C118-E122 WeakPolarHBondContact O-CG 3.43Å; C118-E122 PolarHBondContact O-N 3.42Å; E122-D125 PolarHBondContact O-N 3.24Å; E122-S126 PolarHBondContact O-N 3.42Å; E122-S126 PolarHBondContact O-OG 2.97Å
123L97.6Very high96.8Very high102 Ų10276.9 Ų76.953%0.53438%0.377SS..Hα-helixtrans-64.7-42.1176.3179.863.1000111.7R119 A121 K127R119-L123 WeakPolarHBondContact O-CB 3.43Å; R119-L123 PolarHBondContact O-N 3.33Å; A121-L123 VanDerWaalsContact C-N 3.34Å; A121-L123 PolarHBondContact O-N 3.22Å; L123-K127 WeakPolarHBondContact O-CG 3.39Å; L123-K127 PolarHBondContact O-N 3.41Å; L123-K127 VanDerWaalsContact O-N 3.1Å
124S97.2Very high96.4Very high6 Ų675.8 Ų75.84%0.04237%0.374CS..Hα-helixtrans-68.4-35.4178.671.10000112.7E120 A121 K127 Y128 R152E120-S124 WeakPolarHBondContact O-CB 3.19Å; E120-S124 PolarHBondContact O-N 3.24Å; E120-S124 PolarHBondContact O-OG 3.11Å; A121-S124 PolarHBondContact O-N 3.25Å; A121-S124 VanDerWaalsContact O-N 3.12Å; A121-S124 PolarHBondContact O-OG 3.48Å; S124-K127 PolarHBondContact O-N 3.45Å; S124-Y128 PolarHBondContact O-N 2.96Å; S124-R152 WeakPolarHBondContact OG-CB 3.42Å
125D97.3Very high95.9Very high45 Ų4580.9 Ų80.924%0.24140%0.404CS..Hα-helixtrans-67.4-44175-179.563.9000111.6A121 E122 K127 Y128 K129 S149A121-D125 WeakPolarHBondContact O-CB 3.36Å; A121-D125 PolarHBondContact O-N 3.03Å; E122-D125 PolarHBondContact O-N 3.24Å; D125-K127 VanDerWaalsContact C-N 3.28Å; D125-K127 PolarHBondContact O-N 3.31Å; D125-Y128 PolarHBondContact O-N 3.05Å; D125-K129 WeakPolarHBondContact O-CG 3.42Å; D125-K129 PolarHBondContact O-N 3.46Å; D125-K129 WeakPolarHBondContact OD2-CE 3.47Å; D125-K129 IonicContact OD2-NZ 3.51Å; D125-K129 PolarHBondContact OD2-NZ 2.91Å; D125-S149 WeakPolarHBondContact CA-OG 3.43Å
126S96.5Very high95.5Very high60 Ų6083.9 Ų83.942%0.4242%0.423SS..Hα-helixtrans-60.1-36.8172.5-73.90000112.8E122 K130E122-S126 PolarHBondContact O-N 3.42Å; E122-S126 PolarHBondContact O-OG 2.97Å; S126-K130 VanDerWaalsContact O-CG 3.31Å; S126-K130 WeakPolarHBondContact O-CG 3.35Å; S126-K130 PolarHBondContact O-N 2.94Å; S126-K130 VanDerWaalsContact O-N 3.14Å
127K96.2Very high95Very high126 Ų12680.9 Ų80.955%0.54841%0.412SS..Hα-helixtrans-67.6-42.9175.1-74.8175-179.1-179.20111.9L123 S124 D125 K130 A131L123-K127 WeakPolarHBondContact O-CG 3.39Å; L123-K127 PolarHBondContact O-N 3.41Å; L123-K127 VanDerWaalsContact O-N 3.1Å; S124-K127 PolarHBondContact O-N 3.45Å; D125-K127 VanDerWaalsContact C-N 3.28Å; D125-K127 PolarHBondContact O-N 3.31Å; K127-K130 PolarHBondContact O-N 2.97Å; K127-A131 WeakPolarHBondContact O-CB 3.37Å; K127-A131 PolarHBondContact O-N 3.32Å
128Y95.8Very high94.6Very high49 Ų4983.4 Ų83.419%0.19243%0.429CS..Hα-helixtrans-59.7-50.5174.6164-117.3000111.1S124 D125 K130 A131 D132 V142 A145 R146S124-Y128 PolarHBondContact O-N 2.96Å; D125-Y128 PolarHBondContact O-N 3.05Å; Y128-K130 VanDerWaalsContact C-N 3.26Å; Y128-K130 PolarHBondContact O-N 2.69Å; Y128-A131 PolarHBondContact O-N 3.36Å; Y128-A131 VanDerWaalsContact O-N 3.07Å; Y128-D132 HydrophobicContact CD2-CB 4.44Å; Y128-D132 HydrophobicContact CE2-CB 3.94Å; Y128-D132 WeakPolarHBondContact O-CB 3.34Å; Y128-D132 PolarHBondContact O-N 2.85Å; Y128-D132 PolarHBondContact OH-OD1 2.97Å; Y128-V142 HydrophobicContact CE2-CG1 4.27Å; Y128-A145 HydrophobicContact CD2-CB 4.42Å; Y128-R146 HydrophobicContact CD2-CB 3.7Å; Y128-R146 HydrophobicContact CD2-CG 4.28Å; Y128-R146 HydrophobicContact CE2-CB 3.59Å; Y128-R146 HydrophobicContact CE2-CG 3.88Å; Y128-R146 HydrophobicContact CG-CB 4.46Å
129K95.7Very high94.3Very high122 Ų12292.8 Ų92.853%0.5346%0.46SS..Hα-helixtrans-56.1-38.5177.7-73.8169.9174163.90113.2D125 A133D125-K129 WeakPolarHBondContact O-CG 3.42Å; D125-K129 PolarHBondContact O-N 3.46Å; D125-K129 WeakPolarHBondContact OD2-CE 3.47Å; D125-K129 IonicContact OD2-NZ 3.51Å; D125-K129 PolarHBondContact OD2-NZ 2.91Å; K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 3.32Å
130K95.2Very high94Very high161 Ų16188.8 Ų88.870%0.746%0.46SS*.Hα-helixtrans-69.4-43.5175.4-73.4176-178.6-175.30112.3S126 K127 Y128 A133 D134S126-K130 VanDerWaalsContact O-CG 3.31Å; S126-K130 WeakPolarHBondContact O-CG 3.35Å; S126-K130 PolarHBondContact O-N 2.94Å; S126-K130 VanDerWaalsContact O-N 3.14Å; K127-K130 PolarHBondContact O-N 2.97Å; Y128-K130 VanDerWaalsContact C-N 3.26Å; Y128-K130 PolarHBondContact O-N 2.69Å; K130-A133 PolarHBondContact O-N 3.42Å; K130-D134 PolarHBondContact O-N 2.94Å
131A94.4Very high93.8Very high12 Ų1290.8 Ų90.810%0.09947%0.47CS..Hα-helixtrans-64.8-40.7177.600000112.4K127 Y128 A133 D134 L137 A145K127-A131 WeakPolarHBondContact O-CB 3.37Å; K127-A131 PolarHBondContact O-N 3.32Å; Y128-A131 PolarHBondContact O-N 3.36Å; Y128-A131 VanDerWaalsContact O-N 3.07Å; A131-A133 VanDerWaalsContact C-N 3.26Å; A131-A133 PolarHBondContact O-N 3.02Å; A131-D134 PolarHBondContact O-N 3.31Å; A131-L137 HydrophobicContact CB-CD2 3.48Å; A131-L137 VanDerWaalsContact CB-CD2 3.48Å; A131-A145 HydrophobicContact CB-CB 4.08Å
132D94.2Very high93.6Very high97 Ų9791.6 Ų91.652%0.51947%0.473SS..Hα-helixtrans-65.4-30.1177.7-163.572.1000112.3Y128 V142Y128-D132 HydrophobicContact CD2-CB 4.44Å; Y128-D132 HydrophobicContact CE2-CB 3.94Å; Y128-D132 WeakPolarHBondContact O-CB 3.34Å; Y128-D132 PolarHBondContact O-N 2.85Å; Y128-D132 PolarHBondContact OH-OD1 2.97Å; D132-V142 HydrophobicContact CB-CG1 4.29Å
133A93Very high93.4Very high80 Ų8090.2 Ų90.266%0.66147%0.467SS*.THydrogen-bonded Turntrans-83.5-10.5175.300000114.3K129 K130 A131K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 3.32Å; K130-A133 PolarHBondContact O-N 3.42Å; A131-A133 VanDerWaalsContact C-N 3.26Å; A131-A133 PolarHBondContact O-N 3.02Å
134D90.7Very high93.3Very high73 Ų7393.1 Ų93.139%0.3948%0.476SS..  trans-91.4109.1-177.2-169.3-12.8000111.3K130 A131 N136 L137K130-D134 PolarHBondContact O-N 2.94Å; A131-D134 PolarHBondContact O-N 3.31Å; D134-N136 PolarHBondContact O-N 2.87Å; D134-N136 WeakPolarHBondContact OD1-CB 3.37Å; D134-N136 PolarHBondContact OD1-N 3.33Å; D134-N136 PolarHBondContact OD1-ND2 3.03Å; D134-L137 HydrophobicContact CB-CB 4.17Å; D134-L137 PolarHBondContact O-N 2.94Å
135I87Confident93.2Very high166 Ų16693.9 Ų93.985%0.85148%0.482SS*.THydrogen-bonded Turntrans-64.8-22.3-178.8-59.9171.2000112
136N89.9Confident93.1Very high152 Ų15297.2 Ų97.281%0.81349%0.491SS*.THydrogen-bonded Turntrans-89-8.2-176.7-56-58.7000113.4D134D134-N136 PolarHBondContact O-N 2.87Å; D134-N136 WeakPolarHBondContact OD1-CB 3.37Å; D134-N136 PolarHBondContact OD1-N 3.33Å; D134-N136 PolarHBondContact OD1-ND2 3.03Å
137L87.5Confident93.1Very high55 Ų5597.8 Ų97.829%0.28850%0.495SS..SBendtrans-85.4140.9-176.6-158.573.3000110.9A131 D134 E141 V142A131-L137 HydrophobicContact CB-CD2 3.48Å; A131-L137 VanDerWaalsContact CB-CD2 3.48Å; D134-L137 HydrophobicContact CB-CB 4.17Å; D134-L137 PolarHBondContact O-N 2.94Å; L137-E141 HydrophobicContact CD1-CB 4.17Å; L137-E141 VanDerWaalsContact CD1-OE2 3.22Å; L137-E141 WeakPolarHBondContact CD1-OE2 3.46Å; L137-E141 HydrophobicContact CD2-CB 3.93Å; L137-E141 HydrophobicContact CG-CB 3.76Å; L137-E141 WeakPolarHBondContact CG-OE2 3.43Å; L137-V142 HydrophobicContact CB-CG2 4.34Å; L137-V142 HydrophobicContact CD2-CG2 3.95Å; L137-V142 HydrophobicContact CG-CG2 4.43Å
138S91.2Very high93.2Very high63 Ų6395.2 Ų95.244%0.44149%0.488SS..  trans-66144.3179.4176.30000111.2A140 E141 V142S138-A140 PolarHBondContact O-N 2.79Å; S138-A140 VanDerWaalsContact O-N 3.07Å; S138-A140 PolarHBondContact OG-N 2.93Å; S138-E141 WeakPolarHBondContact CB-OE2 3.45Å; S138-E141 PolarHBondContact N-OE2 2.87Å; S138-E141 WeakPolarHBondContact O-CA 3.45Å; S138-E141 WeakPolarHBondContact O-CB 3.5Å; S138-E141 PolarHBondContact O-N 3.22Å; S138-V142 PolarHBondContact O-N 3.07Å
139R90.8Very high93.3Very high227 Ų22793.2 Ų93.286%0.85748%0.481SS*.Hα-helixtrans-51.1-35.2172.7-177.5177.7176.9-179.70.1112.5E141 E143R139-E141 VanDerWaalsContact C-N 3.34Å; R139-E143 WeakPolarHBondContact O-CB 3.5Å; R139-E143 PolarHBondContact O-N 2.84Å
140A91.6Very high93.3Very high71 Ų7191.2 Ų91.259%0.58748%0.475SS*.Hα-helixtrans-67.3-34.4177.700000112.6S138 K144S138-A140 PolarHBondContact O-N 2.79Å; S138-A140 VanDerWaalsContact O-N 3.07Å; S138-A140 PolarHBondContact OG-N 2.93Å; A140-K144 WeakPolarHBondContact O-CB 3.26Å; A140-K144 PolarHBondContact O-N 3.15Å
141E92.5Very high93.4Very high102 Ų10285.8 Ų85.848%0.47746%0.46SS..Hα-helixtrans-76-39.9178.4-66.6172.6131.200111.5L137 S138 R139 K144 A145L137-E141 HydrophobicContact CD1-CB 4.17Å; L137-E141 VanDerWaalsContact CD1-OE2 3.22Å; L137-E141 WeakPolarHBondContact CD1-OE2 3.46Å; L137-E141 HydrophobicContact CD2-CB 3.93Å; L137-E141 HydrophobicContact CG-CB 3.76Å; L137-E141 WeakPolarHBondContact CG-OE2 3.43Å; S138-E141 WeakPolarHBondContact CB-OE2 3.45Å; S138-E141 PolarHBondContact N-OE2 2.87Å; S138-E141 WeakPolarHBondContact O-CA 3.45Å; S138-E141 WeakPolarHBondContact O-CB 3.5Å; S138-E141 PolarHBondContact O-N 3.22Å; R139-E141 VanDerWaalsContact C-N 3.34Å; E141-K144 PolarHBondContact O-N 2.94Å; E141-A145 PolarHBondContact O-N 3.23Å
142V93.4Very high93.6Very high25 Ų2589.1 Ų89.115%0.15247%0.47CS..Hα-helixtrans-59.6-47.6172.4179.10000110.6Y128 D132 L137 S138 K144 A145 R146Y128-V142 HydrophobicContact CE2-CG1 4.27Å; D132-V142 HydrophobicContact CB-CG1 4.29Å; L137-V142 HydrophobicContact CB-CG2 4.34Å; L137-V142 HydrophobicContact CD2-CG2 3.95Å; L137-V142 HydrophobicContact CG-CG2 4.43Å; S138-V142 PolarHBondContact O-N 3.07Å; V142-K144 VanDerWaalsContact C-N 3.35Å; V142-K144 PolarHBondContact O-N 3Å; V142-A145 WeakPolarHBondContact O-CB 3.4Å; V142-A145 PolarHBondContact O-N 3.02Å; V142-R146 PolarHBondContact O-N 3.47Å
143E93.6Very high93.8Very high100 Ų10087.6 Ų87.647%0.46746%0.464SS..Hα-helixtrans-65.5-37.6178.3-173.257.1-14500112R139 A145 R146 S147R139-E143 WeakPolarHBondContact O-CB 3.5Å; R139-E143 PolarHBondContact O-N 2.84Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 3.43Å; E143-R146 WeakPolarHBondContact O-CB 3.42Å; E143-R146 PolarHBondContact O-N 3.43Å; E143-R146 IonicContact OE2-NH1 3.54Å; E143-S147 WeakPolarHBondContact O-CB 3.35Å; E143-S147 PolarHBondContact O-N 2.95Å
144K95.5Very high94Very high164 Ų16489.9 Ų89.971%0.71346%0.461SS*.Hα-helixtrans-61-42.2172.2-176.6-178.7179.4-177.90111.7A140 E141 V142 N148A140-K144 WeakPolarHBondContact O-CB 3.26Å; A140-K144 PolarHBondContact O-N 3.15Å; E141-K144 PolarHBondContact O-N 2.94Å; V142-K144 VanDerWaalsContact C-N 3.35Å; V142-K144 PolarHBondContact O-N 3Å; K144-N148 WeakPolarHBondContact O-CB 3.41Å; K144-N148 PolarHBondContact O-N 3.37Å
145A95.3Very high94.3Very high21 Ų2191.1 Ų91.117%0.17447%0.465CS..Hα-helixtrans-65.1-41.1176.100000111.7Y128 A131 E141 V142 E143 N148 S149Y128-A145 HydrophobicContact CD2-CB 4.42Å; A131-A145 HydrophobicContact CB-CB 4.08Å; E141-A145 PolarHBondContact O-N 3.23Å; V142-A145 WeakPolarHBondContact O-CB 3.4Å; V142-A145 PolarHBondContact O-N 3.02Å; E143-A145 VanDerWaalsContact C-N 3.34Å; E143-A145 PolarHBondContact O-N 3.43Å; A145-N148 PolarHBondContact O-N 3.23Å; A145-S149 PolarHBondContact O-N 3.19Å
146R96.2Very high94.8Very high115 Ų11583.5 Ų83.543%0.43443%0.427SS..Hα-helixtrans-61.3-52.1175.2-171.1-173.2-174.7-1743.9112.2Y128 V142 E143 N148 S149 I150Y128-R146 HydrophobicContact CD2-CB 3.7Å; Y128-R146 HydrophobicContact CD2-CG 4.28Å; Y128-R146 HydrophobicContact CE2-CB 3.59Å; Y128-R146 HydrophobicContact CE2-CG 3.88Å; Y128-R146 HydrophobicContact CG-CB 4.46Å; V142-R146 PolarHBondContact O-N 3.47Å; E143-R146 WeakPolarHBondContact O-CB 3.42Å; E143-R146 PolarHBondContact O-N 3.43Å; E143-R146 IonicContact OE2-NH1 3.54Å; R146-N148 VanDerWaalsContact C-N 3.29Å; R146-N148 PolarHBondContact O-N 2.91Å; R146-S149 WeakPolarHBondContact O-CB 3.19Å; R146-S149 PolarHBondContact O-N 3.41Å; R146-S149 VanDerWaalsContact O-N 3.11Å; R146-I150 HydrophobicContact CG-CD1 4.14Å; R146-I150 WeakPolarHBondContact O-CG1 3.29Å; R146-I150 PolarHBondContact O-N 2.92Å
147S96.3Very high95.2Very high72 Ų7281.2 Ų81.250%0.50341%0.411SS..Hα-helixtrans-57.4-42.6178.2-178.30000111.4E143 I150 A151E143-S147 WeakPolarHBondContact O-CB 3.35Å; E143-S147 PolarHBondContact O-N 2.95Å; S147-I150 PolarHBondContact O-N 2.69Å; S147-A151 WeakPolarHBondContact O-CB 3.46Å; S147-A151 PolarHBondContact O-N 2.94Å
148N97.1Very high95.7Very high73 Ų7382.2 Ų82.239%0.3942%0.422SS..Hα-helixtrans-64.5-41.5174.5177.973.7000112.8K144 A145 R146 A151 R152K144-N148 WeakPolarHBondContact O-CB 3.41Å; K144-N148 PolarHBondContact O-N 3.37Å; A145-N148 PolarHBondContact O-N 3.23Å; R146-N148 VanDerWaalsContact C-N 3.29Å; R146-N148 PolarHBondContact O-N 2.91Å; N148-A151 PolarHBondContact O-N 2.99Å; N148-R152 VanDerWaalsContact O-CG 3.29Å; N148-R152 WeakPolarHBondContact O-CG 3.45Å; N148-R152 PolarHBondContact O-N 3.16Å
149S97.2Very high96Very high7 Ų780 Ų805%0.04941%0.408CS..Hα-helixtrans-60.1-46.4175.6177.50000112.2D125 A145 R146 A151 R152 T153D125-S149 WeakPolarHBondContact CA-OG 3.43Å; A145-S149 PolarHBondContact O-N 3.19Å; R146-S149 WeakPolarHBondContact O-CB 3.19Å; R146-S149 PolarHBondContact O-N 3.41Å; R146-S149 VanDerWaalsContact O-N 3.11Å; S149-A151 PolarHBondContact O-N 3.02Å; S149-R152 PolarHBondContact O-N 3.01Å; S149-T153 PolarHBondContact O-N 3.01Å; S149-T153 PolarHBondContact O-OG1 3.28Å; S149-T153 VanDerWaalsContact O-OG1 3.04Å
150I97.2Very high96.4Very high79 Ų7973.6 Ų73.641%0.40539%0.387SS..Hα-helixtrans-61.9-45.9177.3-66.6169.6000110.6R146 S147 R152 T153 Q154R146-I150 HydrophobicContact CG-CD1 4.14Å; R146-I150 WeakPolarHBondContact O-CG1 3.29Å; R146-I150 PolarHBondContact O-N 2.92Å; S147-I150 PolarHBondContact O-N 2.69Å; I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 PolarHBondContact O-N 3.26Å; I150-T153 PolarHBondContact O-N 2.92Å; I150-Q154 WeakPolarHBondContact O-CG 3.47Å; I150-Q154 PolarHBondContact O-N 2.92Å
151A97.7Very high96.7Very high47 Ų4774.2 Ų74.239%0.38839%0.387SS..Hα-helixtrans-60.5-41.117900000112.4S147 N148 S149 Q154 Q155S147-A151 WeakPolarHBondContact O-CB 3.46Å; S147-A151 PolarHBondContact O-N 2.94Å; N148-A151 PolarHBondContact O-N 2.99Å; S149-A151 PolarHBondContact O-N 3.02Å; A151-Q154 PolarHBondContact O-N 3.3Å; A151-Q155 PolarHBondContact O-N 3.28Å
152R97.5Very high97Very high83 Ų8372.4 Ų72.431%0.31338%0.383SS..Hα-helixtrans-69.9-37.2176.9-65.5-59.5-179.6157.29.3112.8E120 A121 S124 N148 S149 I150 Q155 A156E120-R152 IonicContact OE2-CZ 2.65Å; E120-R152 IonicContact OE2-NH1 3.82Å; E120-R152 PolarHBondContact OE2-NH1 3.48Å; A121-R152 HydrophobicContact CB-CB 4.24Å; S124-R152 WeakPolarHBondContact OG-CB 3.42Å; N148-R152 VanDerWaalsContact O-CG 3.29Å; N148-R152 WeakPolarHBondContact O-CG 3.45Å; N148-R152 PolarHBondContact O-N 3.16Å; S149-R152 PolarHBondContact O-N 3.01Å; I150-R152 VanDerWaalsContact C-N 3.34Å; I150-R152 PolarHBondContact O-N 3.26Å; R152-Q155 WeakPolarHBondContact O-CB 3.49Å; R152-Q155 PolarHBondContact O-N 3.39Å; R152-A156 PolarHBondContact O-N 2.97Å
153T97.7Very high97.2Very high64 Ų6473.6 Ų73.639%0.39339%0.385SS..Hα-helixtrans-61.6-44.4172.2-61.10000111.4S149 I150 Q155 A156 E157S149-T153 PolarHBondContact O-N 3.01Å; S149-T153 PolarHBondContact O-OG1 3.28Å; S149-T153 VanDerWaalsContact O-OG1 3.04Å; I150-T153 PolarHBondContact O-N 2.92Å; T153-Q155 VanDerWaalsContact C-N 3.34Å; T153-Q155 PolarHBondContact O-N 3.45Å; T153-A156 PolarHBondContact O-N 3.37Å; T153-E157 PolarHBondContact O-N 2.9Å
154Q97.5Very high97.5Very high129 Ų12971.6 Ų71.660%0.60339%0.386SS*.Hα-helixtrans-62.5-39.8175.2-71.7175.3-5.200112.4I150 A151 A156 E157 S158I150-Q154 WeakPolarHBondContact O-CG 3.47Å; I150-Q154 PolarHBondContact O-N 2.92Å; A151-Q154 PolarHBondContact O-N 3.3Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.15Å; Q154-E157 PolarHBondContact O-N 3.42Å; Q154-S158 PolarHBondContact O-N 2.94Å
155Q97.4Very high97.6Very high99 Ų9966.6 Ų66.646%0.46337%0.371SS..Hα-helixtrans-62.2-40.5174.5-172.3176.722.300112A151 R152 T153 S158 A159A151-Q155 PolarHBondContact O-N 3.28Å; R152-Q155 WeakPolarHBondContact O-CB 3.49Å; R152-Q155 PolarHBondContact O-N 3.39Å; T153-Q155 VanDerWaalsContact C-N 3.34Å; T153-Q155 PolarHBondContact O-N 3.45Å; Q155-S158 PolarHBondContact O-N 3.33Å; Q155-A159 PolarHBondContact O-N 2.55Å
156A97.9Very high97.8Very high6 Ų667.6 Ų67.65%0.0537%0.372CS..Hα-helixtrans-65.1-41.7175.900000112.5A117 A121 R152 T153 Q154 A159 K160A117-A156 HydrophobicContact CB-CB 4.16Å; A121-A156 HydrophobicContact CB-CB 4.12Å; R152-A156 PolarHBondContact O-N 2.97Å; T153-A156 PolarHBondContact O-N 3.37Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.15Å; A156-A159 PolarHBondContact O-N 3.42Å; A156-K160 WeakPolarHBondContact O-CB 3.01Å; A156-K160 PolarHBondContact O-N 3.36Å
157E97.9Very high97.9Very high103 Ų10364.7 Ų64.748%0.48137%0.365SS..Hα-helixtrans-65.7-37.9175.1-71.9-58.5142.300112.4T153 Q154 K160 S161T153-E157 PolarHBondContact O-N 2.9Å; Q154-E157 PolarHBondContact O-N 3.42Å; E157-K160 WeakPolarHBondContact O-CB 3.2Å; E157-K160 PolarHBondContact O-N 3.13Å; E157-K160 IonicContact OE2-NZ 3.63Å; E157-S161 PolarHBondContact O-N 2.95Å
158S97.9Very high98Very high76 Ų7662.6 Ų62.653%0.53136%0.355SS..Hα-helixtrans-61.4-47.1172.11790000111.5Q154 Q155 K160 S161 T162Q154-S158 PolarHBondContact O-N 2.94Å; Q155-S158 PolarHBondContact O-N 3.33Å; S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 PolarHBondContact O-N 3.04Å; S158-S161 WeakPolarHBondContact O-CB 3.2Å; S158-S161 PolarHBondContact O-N 3.11Å; S158-T162 PolarHBondContact O-N 3.25Å; S158-T162 PolarHBondContact O-OG1 3.03Å
159A98.1Very high98Very high18 Ų1864.4 Ų64.415%0.14936%0.359CS..Hα-helixtrans-64.2-35.6177.300000112.7Y114 A117 Q155 A156 T162 Y163Y114-A159 HydrophobicContact CD2-CB 4.34Å; A117-A159 HydrophobicContact CB-CB 4.01Å; Q155-A159 PolarHBondContact O-N 2.55Å; A156-A159 PolarHBondContact O-N 3.42Å; A159-T162 PolarHBondContact O-N 3.25Å; A159-Y163 PolarHBondContact O-N 3.11Å
160K98.6Very high98.1Very high91 Ų9164.4 Ų64.440%0.39636%0.359SS..Hα-helixtrans-61-46.3173.3-171.2-175.8178.6-176.30111.6Y114 A156 E157 S158 Y163 A164Y114-K160 HydrophobicContact CD2-CB 3.74Å; Y114-K160 HydrophobicContact CD2-CG 4.4Å; Y114-K160 HydrophobicContact CE1-CG 4.49Å; Y114-K160 HydrophobicContact CE2-CB 3.42Å; Y114-K160 VanDerWaalsContact CE2-CB 3.42Å; Y114-K160 HydrophobicContact CE2-CD 4.27Å; Y114-K160 HydrophobicContact CE2-CG 3.76Å; A156-K160 WeakPolarHBondContact O-CB 3.01Å; A156-K160 PolarHBondContact O-N 3.36Å; E157-K160 WeakPolarHBondContact O-CB 3.2Å; E157-K160 PolarHBondContact O-N 3.13Å; E157-K160 IonicContact OE2-NZ 3.63Å; S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 PolarHBondContact O-N 3.04Å; K160-Y163 PolarHBondContact O-N 3.34Å; K160-A164 WeakPolarHBondContact O-CB 3.34Å; K160-A164 PolarHBondContact O-N 3.41Å
161S98.3Very high98.1Very high84 Ų8463.9 Ų63.959%0.58736%0.357SS*.Hα-helixtrans-61.2-44.1177.5-173.90000111.4E157 S158 A164 S165E157-S161 PolarHBondContact O-N 2.95Å; S158-S161 WeakPolarHBondContact O-CB 3.2Å; S158-S161 PolarHBondContact O-N 3.11Å; S161-A164 PolarHBondContact O-N 3.42Å; S161-S165 WeakPolarHBondContact O-CB 3.44Å; S161-S165 PolarHBondContact O-N 2.98Å
162T98.3Very high98.2Very high65 Ų6566 Ų6640%0.39936%0.361SS..Hα-helixtrans-60.7-48.4173.9-57.20000111.8A110 S158 A159 A164 S165 E166A110-T162 HydrophobicContact CB-CG2 4.44Å; S158-T162 PolarHBondContact O-N 3.25Å; S158-T162 PolarHBondContact O-OG1 3.03Å; A159-T162 PolarHBondContact O-N 3.25Å; T162-A164 PolarHBondContact O-N 2.79Å; T162-S165 PolarHBondContact O-N 3.2Å; T162-E166 WeakPolarHBondContact O-CG 3.28Å; T162-E166 PolarHBondContact O-N 3.16Å
163Y98.7Very high98.2Very high50 Ų5064.4 Ų64.420%0.19636%0.356CS..Hα-helixtrans-60.4-44.6177.5171.5-125.4000112.3M107 A110 K111 Y114 A159 K160 S165 E166 L167M107-Y163 HydrophobicContact CG-CD2 4.45Å; M107-Y163 HydrophobicContact CG-CE2 3.99Å; A110-Y163 HydrophobicContact CB-CD2 4.44Å; K111-Y163 HydrophobicContact CB-CD2 3.73Å; K111-Y163 HydrophobicContact CB-CE2 3.56Å; K111-Y163 HydrophobicContact CB-CG 4.45Å; K111-Y163 HydrophobicContact CD-CE2 4.35Å; K111-Y163 HydrophobicContact CG-CD2 4.35Å; K111-Y163 HydrophobicContact CG-CE1 4.4Å; K111-Y163 HydrophobicContact CG-CE2 3.9Å; Y114-Y163 AromaticContact CD1-CD1 3.95Å; Y114-Y163 HydrophobicContact CD1-CD1 3.95Å; A159-Y163 PolarHBondContact O-N 3.11Å; K160-Y163 PolarHBondContact O-N 3.34Å; Y163-S165 VanDerWaalsContact C-N 3.31Å; Y163-S165 PolarHBondContact O-N 3.02Å; Y163-E166 PolarHBondContact O-N 3.38Å; Y163-L167 HydrophobicContact CE2-CB 4.28Å; Y163-L167 VanDerWaalsContact O-CB 3.23Å; Y163-L167 WeakPolarHBondContact O-CB 3.03Å; Y163-L167 PolarHBondContact O-N 2.77Å
164A98.5Very high98.2Very high58 Ų5863.9 Ų63.948%0.47935%0.349SS..Hα-helixtrans-60.8-40.3177.100000112K160 S161 T162 G168K160-A164 WeakPolarHBondContact O-CB 3.34Å; K160-A164 PolarHBondContact O-N 3.41Å; S161-A164 PolarHBondContact O-N 3.42Å; T162-A164 PolarHBondContact O-N 2.79Å; A164-G168 PolarHBondContact O-N 2.71Å
165S98.5Very high98.3Very high58 Ų5864.9 Ų64.941%0.40635%0.347SS..Hα-helixtrans-63.8-49.6175.3-172.70000112S161 T162 Y163 L167 G168 K169S161-S165 WeakPolarHBondContact O-CB 3.44Å; S161-S165 PolarHBondContact O-N 2.98Å; T162-S165 PolarHBondContact O-N 3.2Å; Y163-S165 VanDerWaalsContact C-N 3.31Å; Y163-S165 PolarHBondContact O-N 3.02Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 2.93Å; S165-G168 PolarHBondContact O-N 3.17Å; S165-K169 WeakPolarHBondContact O-CG 3.39Å; S165-K169 PolarHBondContact O-N 2.84Å; S165-K169 WeakPolarHBondContact OG-CE 3.01Å
166E98.4Very high98.3Very high42 Ų4264 Ų6420%0.19634%0.343CS..Hα-helixtrans-65.3-34.9178.8-66.8-53.4128.900112.6M107 A110 T162 Y163 K169 T170M107-E166 HydrophobicContact CB-CB 4.28Å; A110-E166 HydrophobicContact CB-CB 4.25Å; A110-E166 HydrophobicContact CB-CG 4.09Å; T162-E166 WeakPolarHBondContact O-CG 3.28Å; T162-E166 PolarHBondContact O-N 3.16Å; Y163-E166 PolarHBondContact O-N 3.38Å; E166-K169 IonicContact OE1-NZ 3.79Å; E166-K169 PolarHBondContact OE1-NZ 2.92Å; E166-T170 VanDerWaalsContact O-CB 3.3Å; E166-T170 WeakPolarHBondContact O-CB 3.18Å; E166-T170 PolarHBondContact O-N 3.36Å; E166-T170 PolarHBondContact O-OG1 3.27Å
167L98.6Very high98.4Very high54 Ų5463.9 Ų63.928%0.28334%0.342SS..Hα-helixtrans-63.2-45173.2178.163.6000111.4M107 Y163 S165 N171M107-L167 HydrophobicContact CG-CB 4.4Å; M107-L167 HydrophobicContact CG-CD1 4.43Å; M107-L167 HydrophobicContact SD-CB 4.42Å; M107-L167 HydrophobicContact SD-CD1 3.48Å; M107-L167 WeakPolarHBondContact SD-CD1 3.44Å; Y163-L167 HydrophobicContact CE2-CB 4.28Å; Y163-L167 VanDerWaalsContact O-CB 3.23Å; Y163-L167 WeakPolarHBondContact O-CB 3.03Å; Y163-L167 PolarHBondContact O-N 2.77Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 2.93Å; L167-N171 WeakPolarHBondContact O-CB 3.4Å; L167-N171 VanDerWaalsContact O-CG 3.27Å; L167-N171 PolarHBondContact O-N 3.5Å; L167-N171 PolarHBondContact O-ND2 3.36Å
168G98.3Very high98.4Very high28 Ų2864.9 Ų64.929%0.28934%0.342SS..Hα-helixtrans-57.9-55.7174.700000111.6A164 S165 T170 N171 D172A164-G168 PolarHBondContact O-N 2.71Å; S165-G168 PolarHBondContact O-N 3.17Å; G168-T170 VanDerWaalsContact C-N 3.32Å; G168-T170 PolarHBondContact O-N 2.91Å; G168-N171 PolarHBondContact O-N 3.28Å; G168-D172 WeakPolarHBondContact O-CB 3.31Å; G168-D172 VanDerWaalsContact O-CG 3.31Å; G168-D172 PolarHBondContact O-N 3.43Å
169K98.2Very high98.4Very high112 Ų11265.5 Ų65.549%0.48735%0.346SS..Hα-helixtrans-55.1-44.8178.4-67.5173.3-167.2168.50112.7S165 E166 D172 Y173S165-K169 WeakPolarHBondContact O-CG 3.39Å; S165-K169 PolarHBondContact O-N 2.84Å; S165-K169 WeakPolarHBondContact OG-CE 3.01Å; E166-K169 IonicContact OE1-NZ 3.79Å; E166-K169 PolarHBondContact OE1-NZ 2.92Å; K169-D172 PolarHBondContact O-N 2.78Å; K169-Y173 WeakPolarHBondContact O-CB 3.43Å; K169-Y173 PolarHBondContact O-N 3.04Å
170T98.5Very high98.4Very high6 Ų669 Ų694%0.03736%0.36CS..Hα-helixtrans-65.6-44.3-179.7-59.50000111.2A103 I104 M107 E166 G168 Y173 Q174A103-T170 HydrophobicContact CB-CG2 4.37Å; A103-T170 PolarHBondContact O-OG1 2.69Å; I104-T170 HydrophobicContact CG1-CG2 3.72Å; M107-T170 WeakPolarHBondContact CB-OG1 3.3Å; M107-T170 HydrophobicContact CE-CG2 4.36Å; M107-T170 HydrophobicContact SD-CG2 4.03Å; E166-T170 VanDerWaalsContact O-CB 3.3Å; E166-T170 WeakPolarHBondContact O-CB 3.18Å; E166-T170 PolarHBondContact O-N 3.36Å; E166-T170 PolarHBondContact O-OG1 3.27Å; G168-T170 VanDerWaalsContact C-N 3.32Å; G168-T170 PolarHBondContact O-N 2.91Å; T170-Y173 PolarHBondContact O-N 3.25Å; T170-Q174 VanDerWaalsContact O-CB 3.28Å; T170-Q174 WeakPolarHBondContact O-CB 3.42Å; T170-Q174 PolarHBondContact O-N 2.85Å
171N98.5Very high98.4Very high68 Ų6866.6 Ų66.636%0.36435%0.35SS..Hα-helixtrans-67.1-38.6178.3-73.7-28000112.3L167 G168 R175L167-N171 WeakPolarHBondContact O-CB 3.4Å; L167-N171 VanDerWaalsContact O-CG 3.27Å; L167-N171 PolarHBondContact O-N 3.5Å; L167-N171 PolarHBondContact O-ND2 3.36Å; G168-N171 PolarHBondContact O-N 3.28Å; N171-R175 WeakPolarHBondContact O-CG 3.36Å; N171-R175 PolarHBondContact O-N 3.46Å
172D98.3Very high98.4Very high91 Ų9164.1 Ų64.149%0.48733%0.331SS..Hα-helixtrans-61.2-48.8173.6-71.7-30.9000110.9G168 K169 Q174 R175 Q176G168-D172 WeakPolarHBondContact O-CB 3.31Å; G168-D172 VanDerWaalsContact O-CG 3.31Å; G168-D172 PolarHBondContact O-N 3.43Å; K169-D172 PolarHBondContact O-N 2.78Å; D172-Q174 PolarHBondContact O-N 3.45Å; D172-R175 PolarHBondContact O-N 3.44Å; D172-R175 IonicContact OD1-CZ 2.7Å; D172-R175 IonicContact OD1-NE 2.81Å; D172-R175 IonicContact OD1-NH2 3.68Å; D172-R175 PolarHBondContact OD1-NH2 3.04Å; D172-Q176 PolarHBondContact O-N 2.93Å
173Y98.3Very high98.4Very high50 Ų5063.6 Ų63.620%0.19633%0.328CS..Hα-helixtrans-63.8-42.1178.3-166.5-96.3000112.2N99 R100 K169 T170 R175 Q176 F177 L181N99-Y173 HydrophobicContact CB-CE1 4.04Å; N99-Y173 VanDerWaalsContact CB-OH 3.23Å; N99-Y173 WeakPolarHBondContact CB-OH 3.49Å; R100-Y173 HydrophobicContact CB-CD1 4.04Å; R100-Y173 HydrophobicContact CB-CE1 3.73Å; R100-Y173 HydrophobicContact CG-CD1 4.08Å; R100-Y173 HydrophobicContact CG-CE1 4.2Å; K169-Y173 WeakPolarHBondContact O-CB 3.43Å; K169-Y173 PolarHBondContact O-N 3.04Å; T170-Y173 PolarHBondContact O-N 3.25Å; Y173-R175 VanDerWaalsContact C-N 3.33Å; Y173-R175 PolarHBondContact O-N 2.91Å; Y173-Q176 PolarHBondContact O-N 2.66Å; Y173-F177 VanDerWaalsContact O-CB 3.22Å; Y173-F177 WeakPolarHBondContact O-CB 3.3Å; Y173-F177 PolarHBondContact O-N 3.05Å; Y173-L181 HydrophobicContact CE2-CD1 4.33Å
174Q98.3Very high98.4Very high54 Ų5465.1 Ų65.125%0.25234%0.34SS..Hα-helixtrans-61-42.2177.5-17082.5-13.600111.4T170 D172 Y178T170-Q174 VanDerWaalsContact O-CB 3.28Å; T170-Q174 WeakPolarHBondContact O-CB 3.42Å; T170-Q174 PolarHBondContact O-N 2.85Å; D172-Q174 PolarHBondContact O-N 3.45Å; Q174-Y178 HydrophobicContact CG-CD2 4.2Å; Q174-Y178 HydrophobicContact CG-CE2 4.07Å; Q174-Y178 VanDerWaalsContact O-CD2 3.29Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.4Å; Q174-Y178 PolarHBondContact O-N 3.17Å
175R98.4Very high98.4Very high149 Ų14962.8 Ų62.856%0.56232%0.319SS*.Hα-helixtrans-60.4-54.8174.1-79-173-73.2-95.86110.4N171 D172 Y173 F177 Y178 S179N171-R175 WeakPolarHBondContact O-CG 3.36Å; N171-R175 PolarHBondContact O-N 3.46Å; D172-R175 PolarHBondContact O-N 3.44Å; D172-R175 IonicContact OD1-CZ 2.7Å; D172-R175 IonicContact OD1-NE 2.81Å; D172-R175 IonicContact OD1-NH2 3.68Å; D172-R175 PolarHBondContact OD1-NH2 3.04Å; Y173-R175 VanDerWaalsContact C-N 3.33Å; Y173-R175 PolarHBondContact O-N 2.91Å; R175-F177 VanDerWaalsContact C-N 3.27Å; R175-F177 PolarHBondContact O-N 3.35Å; R175-Y178 PolarHBondContact O-N 3.37Å; R175-S179 VanDerWaalsContact O-CB 3.27Å; R175-S179 WeakPolarHBondContact O-CB 3.49Å; R175-S179 PolarHBondContact O-N 3.36Å; R175-S179 PolarHBondContact O-OG 3.5Å
176Q98.3Very high98.4Very high82 Ų8264.2 Ų64.238%0.38332%0.322SS..Hα-helixtrans-58.7-39.5-178.6-163.7-17412.500112.4D172 Y173 E180 L181D172-Q176 PolarHBondContact O-N 2.93Å; Y173-Q176 PolarHBondContact O-N 2.66Å; Q176-E180 PolarHBondContact O-N 3.13Å; Q176-L181 HydrophobicContact CG-CD1 4.1Å; Q176-L181 HydrophobicContact CG-CG 4.07Å; Q176-L181 PolarHBondContact O-N 3.32Å
177F98.6Very high98.4Very high3 Ų366.2 Ų66.21%0.01333%0.332CS..Iπ-helixtrans-57.2-52178177.6-94.1000111.7L96 E97 R100 Y173 R175 L182L96-F177 HydrophobicContact CB-CD2 4.08Å; L96-F177 HydrophobicContact CB-CE2 3.72Å; E97-F177 WeakPolarHBondContact OE2-CZ 3.47Å; R100-F177 VanDerWaalsContact CD-CD1 3.43Å; R100-F177 HydrophobicContact CG-CG 4.41Å; Y173-F177 VanDerWaalsContact O-CB 3.22Å; Y173-F177 WeakPolarHBondContact O-CB 3.3Å; Y173-F177 PolarHBondContact O-N 3.05Å; R175-F177 VanDerWaalsContact C-N 3.27Å; R175-F177 PolarHBondContact O-N 3.35Å; F177-L182 HydrophobicContact CE1-CB 4.22Å; F177-L182 HydrophobicContact CE1-CD2 3.85Å; F177-L182 HydrophobicContact CE2-CB 4.4Å; F177-L182 HydrophobicContact CZ-CB 4.16Å; F177-L182 HydrophobicContact CZ-CD2 4.07Å; F177-L182 HydrophobicContact CZ-CG 4.5Å; F177-L182 VanDerWaalsContact O-CB 3.27Å; F177-L182 WeakPolarHBondContact O-CB 3.4Å; F177-L182 PolarHBondContact O-N 2.84Å
178Y98.4Very high98.4Very high123 Ų12369.1 Ų69.148%0.48234%0.342SS..Iπ-helixtrans-82.6-27.7-177.9-70.4-64.4000114.3Q174 R175 L182 P183Q174-Y178 HydrophobicContact CG-CD2 4.2Å; Q174-Y178 HydrophobicContact CG-CE2 4.07Å; Q174-Y178 VanDerWaalsContact O-CD2 3.29Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.4Å; Q174-Y178 PolarHBondContact O-N 3.17Å; R175-Y178 PolarHBondContact O-N 3.37Å; Y178-L182 HydrophobicContact CD1-CD2 4.3Å; Y178-L182 HydrophobicContact CE1-CD2 4.38Å; Y178-P183 WeakPolarHBondContact O-CD 3.47Å; Y178-P183 VanDerWaalsContact O-CG 3.24Å; Y178-P183 WeakPolarHBondContact O-CG 3.42Å
179S98Very high98.4Very high89 Ų8969.2 Ų69.262%0.62234%0.336SS*.Iπ-helixtrans-83.6-25.4-17867.10000113.4R175R175-S179 VanDerWaalsContact O-CB 3.27Å; R175-S179 WeakPolarHBondContact O-CB 3.49Å; R175-S179 PolarHBondContact O-N 3.36Å; R175-S179 PolarHBondContact O-OG 3.5Å
180E98.2Very high98.5Very high93 Ų9368.5 Ų68.544%0.43533%0.334SS..Iπ-helixtrans-140.7-60.7-168.2-176.2-177.1-171.400112.5Q176 P183 N184Q176-E180 PolarHBondContact O-N 3.13Å; E180-P183 WeakPolarHBondContact O-CD 3.49Å; E180-N184 WeakPolarHBondContact CG-ND2 3.41Å; E180-N184 VanDerWaalsContact O-CB 3.25Å; E180-N184 WeakPolarHBondContact O-CB 3.47Å; E180-N184 PolarHBondContact O-N 3.27Å; E180-N184 PolarHBondContact O-ND2 2.9Å; E180-N184 VanDerWaalsContact O-ND2 3.08Å
181L98.5Very high98.5Very high39 Ų3973 Ų7320%0.20435%0.354CS..Iπ-helixtrans-64.6-52.4-166.5-57.8172.3000112.5L96 Y173 Q176 N184 V185L96-L181 HydrophobicContact CD1-CB 3.97Å; L96-L181 HydrophobicContact CD2-CB 4.19Å; L96-L181 HydrophobicContact CD2-CD1 4.02Å; Y173-L181 HydrophobicContact CE2-CD1 4.33Å; Q176-L181 HydrophobicContact CG-CD1 4.1Å; Q176-L181 HydrophobicContact CG-CG 4.07Å; Q176-L181 PolarHBondContact O-N 3.32Å; L181-N184 PolarHBondContact O-N 3.36Å; L181-V185 WeakPolarHBondContact O-CG2 3.45Å; L181-V185 PolarHBondContact O-N 3.04Å
182L98.5Very high98.5Very high33 Ų3370.8 Ų70.817%0.17334%0.342CS..Hα-helixtrans-65.6-50.6179.5175.666.3000111.6V93 F177 Y178 N184 V185 L186V93-L182 HydrophobicContact CG1-CD1 4.23Å; F177-L182 HydrophobicContact CE1-CB 4.22Å; F177-L182 HydrophobicContact CE1-CD2 3.85Å; F177-L182 HydrophobicContact CE2-CB 4.4Å; F177-L182 HydrophobicContact CZ-CB 4.16Å; F177-L182 HydrophobicContact CZ-CD2 4.07Å; F177-L182 HydrophobicContact CZ-CG 4.5Å; F177-L182 VanDerWaalsContact O-CB 3.27Å; F177-L182 WeakPolarHBondContact O-CB 3.4Å; F177-L182 PolarHBondContact O-N 2.84Å; Y178-L182 HydrophobicContact CD1-CD2 4.3Å; Y178-L182 HydrophobicContact CE1-CD2 4.38Å; L182-N184 VanDerWaalsContact C-N 3.26Å; L182-N184 PolarHBondContact O-N 3Å; L182-V185 PolarHBondContact O-N 2.99Å; L182-V185 VanDerWaalsContact O-N 3.11Å; L182-L186 HydrophobicContact CD1-CD1 4.06Å; L182-L186 HydrophobicContact CD1-CD2 4.34Å; L182-L186 HydrophobicContact CD1-CG 3.98Å; L182-L186 HydrophobicContact CG-CD1 3.94Å; L182-L186 HydrophobicContact CG-CG 4.26Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 3.49Å
183P98.7Very high98.5Very high53 Ų5369.5 Ų69.534%0.34434%0.335SS..Hα-helixtrans-52.1-41.9174.5-28.735.1000113.8Y178 E180 V185 L186 Q187Y178-P183 WeakPolarHBondContact O-CD 3.47Å; Y178-P183 VanDerWaalsContact O-CG 3.24Å; Y178-P183 WeakPolarHBondContact O-CG 3.42Å; E180-P183 WeakPolarHBondContact O-CD 3.49Å; P183-V185 VanDerWaalsContact C-N 3.35Å; P183-V185 PolarHBondContact O-N 3.36Å; P183-L186 PolarHBondContact O-N 3.44Å; P183-Q187 WeakPolarHBondContact O-CB 3.47Å; P183-Q187 PolarHBondContact O-N 3.09Å
184N98.6Very high98.5Very high82 Ų8272.1 Ų72.144%0.43935%0.349SS..Hα-helixtrans-64.2-36.4179.6-75.2-24.1000113.1E180 L181 L182 K188E180-N184 WeakPolarHBondContact CG-ND2 3.41Å; E180-N184 VanDerWaalsContact O-CB 3.25Å; E180-N184 WeakPolarHBondContact O-CB 3.47Å; E180-N184 PolarHBondContact O-N 3.27Å; E180-N184 PolarHBondContact O-ND2 2.9Å; E180-N184 VanDerWaalsContact O-ND2 3.08Å; L181-N184 PolarHBondContact O-N 3.36Å; L182-N184 VanDerWaalsContact C-N 3.26Å; L182-N184 PolarHBondContact O-N 3Å; N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact O-N 2.86Å
185V98.5Very high98.5Very high9 Ų972.8 Ų72.86%0.05536%0.355CS..Hα-helixtrans-74.9-38.3176.7-178.70000110.9L89 E92 V93 L96 L181 L182 P183 K188 L189L89-V185 HydrophobicContact CD2-CG1 4.39Å; L89-V185 WeakPolarHBondContact O-CG1 3.4Å; E92-V185 HydrophobicContact CB-CG1 4.44Å; E92-V185 HydrophobicContact CG-CG1 4.41Å; E92-V185 HydrophobicContact CG-CG2 3.73Å; V93-V185 HydrophobicContact CG2-CB 4.3Å; V93-V185 HydrophobicContact CG2-CG1 3.53Å; L96-V185 HydrophobicContact CD1-CG2 3.85Å; L181-V185 WeakPolarHBondContact O-CG2 3.45Å; L181-V185 PolarHBondContact O-N 3.04Å; L182-V185 PolarHBondContact O-N 2.99Å; L182-V185 VanDerWaalsContact O-N 3.11Å; P183-V185 VanDerWaalsContact C-N 3.35Å; P183-V185 PolarHBondContact O-N 3.36Å; V185-K188 PolarHBondContact O-N 2.9Å; V185-L189 PolarHBondContact O-N 2.85Å
186L98.5Very high98.5Very high88 Ų8871.3 Ų71.346%0.46135%0.349SS..Hα-helixtrans-65.4-38.7175.1-65.4-179.4000112L182 P183 K188 L189 Q190L182-L186 HydrophobicContact CD1-CD1 4.06Å; L182-L186 HydrophobicContact CD1-CD2 4.34Å; L182-L186 HydrophobicContact CD1-CG 3.98Å; L182-L186 HydrophobicContact CG-CD1 3.94Å; L182-L186 HydrophobicContact CG-CG 4.26Å; L182-L186 WeakPolarHBondContact O-CG 3.33Å; L182-L186 PolarHBondContact O-N 3.49Å; P183-L186 PolarHBondContact O-N 3.44Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 3.36Å; L186-L189 HydrophobicContact CD2-CD1 4.14Å; L186-L189 WeakPolarHBondContact O-CB 3.43Å; L186-L189 PolarHBondContact O-N 2.87Å; L186-L189 VanDerWaalsContact O-N 3.12Å; L186-Q190 PolarHBondContact O-N 3.42Å
187Q98.6Very high98.5Very high85 Ų8571.8 Ų71.840%0.39735%0.354SS..Hα-helixtrans-59.4-42.8173.6-17860.143.700111.3P183 L189 Q190 E191P183-Q187 WeakPolarHBondContact O-CB 3.47Å; P183-Q187 PolarHBondContact O-N 3.09Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 2.55Å; Q187-Q190 WeakPolarHBondContact O-CB 3.49Å; Q187-Q190 PolarHBondContact O-N 3.2Å; Q187-E191 PolarHBondContact NE2-OE1 3.48Å; Q187-E191 WeakPolarHBondContact O-CG 3.47Å; Q187-E191 PolarHBondContact O-N 2.99Å
188K98.7Very high98.5Very high114 Ų11472.8 Ų72.850%0.49637%0.365SS..Hα-helixtrans-65.2-34.7174.5-69.4172.7-176.3179.10113L89 N184 V185 L186 Q190 M192L89-K188 HydrophobicContact CD1-CB 4.31Å; L89-K188 HydrophobicContact CD2-CB 3.74Å; L89-K188 HydrophobicContact CD2-CD 4.13Å; N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact O-N 2.86Å; V185-K188 PolarHBondContact O-N 2.9Å; L186-K188 VanDerWaalsContact C-N 3.32Å; L186-K188 PolarHBondContact O-N 3.36Å; K188-Q190 VanDerWaalsContact C-N 3.35Å; K188-M192 WeakPolarHBondContact O-CB 3.31Å; K188-M192 PolarHBondContact O-N 2.92Å
189L98.6Very high98.5Very high31 Ų3169.2 Ų69.216%0.16235%0.353CS..Hα-helixtrans-65.9-39.3173.1-82.3167.2000111.5L89 L90 V185 L186 Q187 M192 D193L89-L189 HydrophobicContact CB-CD2 3.7Å; L89-L189 HydrophobicContact CB-CG 3.89Å; L89-L189 HydrophobicContact CD1-CD2 3.71Å; L89-L189 HydrophobicContact CD1-CG 3.93Å; L89-L189 HydrophobicContact CG-CD2 4.36Å; L89-L189 HydrophobicContact CG-CG 4.48Å; L90-L189 HydrophobicContact CD2-CD1 4.19Å; V185-L189 PolarHBondContact O-N 2.85Å; L186-L189 HydrophobicContact CD2-CD1 4.14Å; L186-L189 WeakPolarHBondContact O-CB 3.43Å; L186-L189 PolarHBondContact O-N 2.87Å; L186-L189 VanDerWaalsContact O-N 3.12Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 2.55Å; L189-M192 HydrophobicContact CD2-CE 3.91Å; L189-D193 PolarHBondContact O-N 3.32Å
190Q98.6Very high98.5Very high97 Ų9768.2 Ų68.245%0.45334%0.343SS..Hα-helixtrans-64.2-49.1174.3179.2-177.5-25.500111.3L186 Q187 K188 M192 D193 E194L186-Q190 PolarHBondContact O-N 3.42Å; Q187-Q190 WeakPolarHBondContact O-CB 3.49Å; Q187-Q190 PolarHBondContact O-N 3.2Å; K188-Q190 VanDerWaalsContact C-N 3.35Å; Q190-M192 VanDerWaalsContact C-N 3.27Å; Q190-M192 PolarHBondContact O-N 3.36Å; Q190-D193 WeakPolarHBondContact O-CA 3.49Å; Q190-D193 PolarHBondContact O-N 2.88Å; Q190-E194 HydrophobicContact CG-CG 4.35Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.28Å; Q190-E194 PolarHBondContact NE2-OE1 3.03Å; Q190-E194 WeakPolarHBondContact O-CG 3.31Å; Q190-E194 PolarHBondContact O-N 3.38Å
191E98.7Very high98.5Very high99 Ų9972.4 Ų72.446%0.46335%0.354SS..Hα-helixtrans-57-41.5177.2-72.8166.1-168.900112Q187 D193 E194 D195Q187-E191 PolarHBondContact NE2-OE1 3.48Å; Q187-E191 WeakPolarHBondContact O-CG 3.47Å; Q187-E191 PolarHBondContact O-N 2.99Å; E191-D193 VanDerWaalsContact C-N 3.34Å; E191-D193 PolarHBondContact O-N 3.25Å; E191-E194 PolarHBondContact O-N 3.01Å; E191-D195 WeakPolarHBondContact O-CB 3.29Å; E191-D195 PolarHBondContact O-N 2.87Å
192M98.6Very high98.5Very high23 Ų2376.5 Ų76.511%0.11337%0.367CS..Hα-helixtrans-62-40.3174.1-179.7-158.869.100111.8F82 Q85 R86 L89 K188 L189 Q190 R196F82-M192 HydrophobicContact CD1-CG 3.72Å; F82-M192 HydrophobicContact CE1-CG 4.11Å; F82-M192 WeakPolarHBondContact CE1-O 3.34Å; Q85-M192 HydrophobicContact CB-CG 4.31Å; Q85-M192 HydrophobicContact CB-SD 3.79Å; R86-M192 HydrophobicContact CB-CE 4.01Å; R86-M192 HydrophobicContact CB-SD 3.94Å; R86-M192 HydrophobicContact CG-CE 4.36Å; L89-M192 HydrophobicContact CD1-CB 4.48Å; L89-M192 HydrophobicContact CD1-SD 4.14Å; K188-M192 WeakPolarHBondContact O-CB 3.31Å; K188-M192 PolarHBondContact O-N 2.92Å; L189-M192 HydrophobicContact CD2-CE 3.91Å; Q190-M192 VanDerWaalsContact C-N 3.27Å; Q190-M192 PolarHBondContact O-N 3.36Å; M192-R196 PolarHBondContact O-N 3.32Å
193D98.6Very high98.5Very high63 Ų6375.5 Ų75.534%0.33736%0.362SS..Hα-helixtrans-71-40178.2-168.751.3000112.5L189 Q190 E191 R196 I197L189-D193 PolarHBondContact O-N 3.32Å; Q190-D193 WeakPolarHBondContact O-CA 3.49Å; Q190-D193 PolarHBondContact O-N 2.88Å; E191-D193 VanDerWaalsContact C-N 3.34Å; E191-D193 PolarHBondContact O-N 3.25Å; D193-R196 WeakPolarHBondContact O-CB 3.26Å; D193-R196 PolarHBondContact O-N 3.14Å; D193-R196 IonicContact OD1-CZ 2.92Å; D193-R196 IonicContact OD1-NE 3.62Å; D193-R196 PolarHBondContact OD1-NE 3.13Å; D193-R196 IonicContact OD1-NH2 2.55Å; D193-R196 PolarHBondContact OD1-NH2 3.23Å; D193-R196 IonicContact OD2-NH2 3.67Å; D193-I197 WeakPolarHBondContact O-CG1 3.27Å; D193-I197 PolarHBondContact O-N 3.44Å
194E98.6Very high98.5Very high105 Ų10579.6 Ų79.649%0.49138%0.375SS..Hα-helixtrans-63.4-40.9174.3-71.8177.1-177.100111.4Q190 E191 I197 G198Q190-E194 HydrophobicContact CG-CG 4.35Å; Q190-E194 WeakPolarHBondContact CG-OE1 3.28Å; Q190-E194 PolarHBondContact NE2-OE1 3.03Å; Q190-E194 WeakPolarHBondContact O-CG 3.31Å; Q190-E194 PolarHBondContact O-N 3.38Å; E191-E194 PolarHBondContact O-N 3.01Å; E194-I197 PolarHBondContact O-N 2.9Å; E194-G198 PolarHBondContact O-N 2.95Å
195D98.7Very high98.5Very high69 Ų6979.5 Ų79.537%0.36938%0.379SS..Hα-helixtrans-61.2-46.6171.5-179.549.3000110.8F82 E191 I197 G198 Q199F82-D195 HydrophobicContact CE1-CB 4.4Å; F82-D195 WeakPolarHBondContact CE1-OD2 3.46Å; F82-D195 HydrophobicContact CZ-CB 4.48Å; F82-D195 WeakPolarHBondContact CZ-OD2 3.45Å; E191-D195 WeakPolarHBondContact O-CB 3.29Å; E191-D195 PolarHBondContact O-N 2.87Å; D195-I197 VanDerWaalsContact C-N 3.3Å; D195-I197 PolarHBondContact O-N 3.24Å; D195-G198 CarbonylContact O-C 3.54Å; D195-G198 WeakPolarHBondContact O-CA 3.42Å; D195-G198 PolarHBondContact O-N 3.1Å; D195-Q199 WeakPolarHBondContact O-CG 3.43Å; D195-Q199 PolarHBondContact O-N 3.18Å; D195-Q199 PolarHBondContact OD1-NE2 3.05Å; D195-Q199 VanDerWaalsContact OD1-NE2 3.11Å
196R98.6Very high98.5Very high117 Ų11779.5 Ų79.544%0.44238%0.379SS..Hα-helixtrans-52.4-48.6174.6178.1-165.967.3127.9-1.2111.6F82 M192 D193 G198 Q199 V200F82-R196 HydrophobicContact CD1-CB 4.36Å; F82-R196 HydrophobicContact CD2-CB 4.23Å; F82-R196 HydrophobicContact CD2-CG 4.22Å; F82-R196 HydrophobicContact CE1-CB 3.99Å; F82-R196 HydrophobicContact CE2-CB 3.84Å; F82-R196 HydrophobicContact CE2-CG 4.1Å; F82-R196 HydrophobicContact CG-CB 4.5Å; F82-R196 HydrophobicContact CZ-CB 3.73Å; F82-R196 HydrophobicContact CZ-CG 4.49Å; M192-R196 PolarHBondContact O-N 3.32Å; D193-R196 WeakPolarHBondContact O-CB 3.26Å; D193-R196 PolarHBondContact O-N 3.14Å; D193-R196 IonicContact OD1-CZ 2.92Å; D193-R196 IonicContact OD1-NE 3.62Å; D193-R196 PolarHBondContact OD1-NE 3.13Å; D193-R196 IonicContact OD1-NH2 2.55Å; D193-R196 PolarHBondContact OD1-NH2 3.23Å; D193-R196 IonicContact OD2-NH2 3.67Å; R196-G198 VanDerWaalsContact C-N 3.33Å; R196-G198 PolarHBondContact O-N 3.39Å; R196-Q199 PolarHBondContact O-N 2.94Å; R196-V200 WeakPolarHBondContact O-CG2 3.38Å; R196-V200 PolarHBondContact O-N 3.31Å
197I98.5Very high98.4Very high93 Ų9376.8 Ų76.848%0.47737%0.367SS..Hα-helixtrans-61.6-43.8177.7-66.4164.3000110.4D193 E194 D195 Q199 V200 R201D193-I197 WeakPolarHBondContact O-CG1 3.27Å; D193-I197 PolarHBondContact O-N 3.44Å; E194-I197 PolarHBondContact O-N 2.9Å; D195-I197 VanDerWaalsContact C-N 3.3Å; D195-I197 PolarHBondContact O-N 3.24Å; I197-Q199 VanDerWaalsContact C-N 3.34Å; I197-Q199 PolarHBondContact O-N 3.04Å; I197-V200 PolarHBondContact O-N 2.93Å; I197-R201 PolarHBondContact O-N 3.37Å
198G98.5Very high98.4Very high24 Ų2477 Ų7725%0.24737%0.374CS..Hα-helixtrans-58-42.6175.300000113.3E194 D195 R196 R202E194-G198 PolarHBondContact O-N 2.95Å; D195-G198 CarbonylContact O-C 3.54Å; D195-G198 WeakPolarHBondContact O-CA 3.42Å; D195-G198 PolarHBondContact O-N 3.1Å; R196-G198 VanDerWaalsContact C-N 3.33Å; R196-G198 PolarHBondContact O-N 3.39Å; G198-R202 PolarHBondContact O-N 2.93Å
199Q98.4Very high98.3Very high48 Ų4876.2 Ų76.222%0.22437%0.372CS..Hα-helixtrans-68-42.7176.9-62.1-58-21.100112.1L78 F82 D195 R196 I197 R201 R202 L203L78-Q199 HydrophobicContact CD1-CB 3.8Å; L78-Q199 HydrophobicContact CD1-CG 4.28Å; L78-Q199 HydrophobicContact CD2-CB 4.38Å; L78-Q199 HydrophobicContact CD2-CG 3.95Å; F82-Q199 HydrophobicContact CE2-CG 4.4Å; F82-Q199 HydrophobicContact CZ-CG 4.19Å; D195-Q199 WeakPolarHBondContact O-CG 3.43Å; D195-Q199 PolarHBondContact O-N 3.18Å; D195-Q199 PolarHBondContact OD1-NE2 3.05Å; D195-Q199 VanDerWaalsContact OD1-NE2 3.11Å; R196-Q199 PolarHBondContact O-N 2.94Å; I197-Q199 VanDerWaalsContact C-N 3.34Å; I197-Q199 PolarHBondContact O-N 3.04Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 3.01Å; Q199-R202 WeakPolarHBondContact O-CB 3.48Å; Q199-R202 PolarHBondContact O-N 3.34Å; Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 2.84Å
200V98Very high98.3Very high68 Ų6874.9 Ų74.941%0.41237%0.365SS..Hα-helixtrans-59.8-46.6175.61700000110.6R196 I197 R202 L203 F204R196-V200 WeakPolarHBondContact O-CG2 3.38Å; R196-V200 PolarHBondContact O-N 3.31Å; I197-V200 PolarHBondContact O-N 2.93Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 3Å; V200-L203 PolarHBondContact O-N 3.45Å; V200-F204 HydrophobicContact CG1-CD2 3.88Å; V200-F204 HydrophobicContact CG1-CE2 3.45Å; V200-F204 VanDerWaalsContact CG1-CE2 3.45Å; V200-F204 HydrophobicContact CG1-CZ 4.27Å; V200-F204 WeakPolarHBondContact O-CD2 3.34Å; V200-F204 PolarHBondContact O-N 2.87Å
201R98.3Very high98.1Very high181 Ų18174.7 Ų74.768%0.68337%0.365SS*.Hα-helixtrans-56.7-47.2174-178.9-171.565.1161.2-1.5111.5I197 Q199 L203 F204 C205I197-R201 PolarHBondContact O-N 3.37Å; Q199-R201 VanDerWaalsContact C-N 3.34Å; Q199-R201 PolarHBondContact O-N 3.01Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 2.83Å; R201-F204 PolarHBondContact O-N 2.93Å; R201-C205 PolarHBondContact O-N 2.8Å; R201-C205 VanDerWaalsContact O-N 3.13Å; R201-C205 PolarHBondContact O-SG 2.78Å; R201-C205 VanDerWaalsContact O-SG 3.4Å
202R98.4Very high98Very high124 Ų12472.7 Ų72.747%0.46836%0.361SS..Hα-helixtrans-57.1-44.6177.1176.5-174.3174.4-94.1-4.2111.2G198 Q199 V200 C205 V206G198-R202 PolarHBondContact O-N 2.93Å; Q199-R202 WeakPolarHBondContact O-CB 3.48Å; Q199-R202 PolarHBondContact O-N 3.34Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 3Å; R202-C205 WeakPolarHBondContact O-CB 3.24Å; R202-C205 PolarHBondContact O-N 3.43Å; R202-V206 WeakPolarHBondContact O-CG2 3.41Å; R202-V206 PolarHBondContact O-N 3.41Å
203L98.3Very high97.9Very high12 Ų1274.9 Ų74.96%0.06338%0.379CS..Hα-helixtrans-65.4-38.8-179.2-71.6167.7000112.3E74 I75 L78 Q199 V200 R201 C205 V206 C207E74-L203 HydrophobicContact CB-CD2 3.95Å; I75-L203 HydrophobicContact CD1-CD1 4.36Å; I75-L203 HydrophobicContact CG1-CD1 3.52Å; L78-L203 HydrophobicContact CD1-CD1 3.83Å; Q199-L203 WeakPolarHBondContact O-CG 3.4Å; Q199-L203 PolarHBondContact O-N 2.84Å; V200-L203 PolarHBondContact O-N 3.45Å; R201-L203 VanDerWaalsContact C-N 3.3Å; R201-L203 PolarHBondContact O-N 2.83Å; L203-C205 VanDerWaalsContact C-N 3.31Å; L203-C205 PolarHBondContact O-N 3.07Å; L203-V206 WeakPolarHBondContact O-CB 3.45Å; L203-V206 PolarHBondContact O-N 2.86Å; L203-V206 VanDerWaalsContact O-N 3.11Å; L203-C207 PolarHBondContact O-N 3.38Å; L203-C207 PolarHBondContact O-SG 3.15Å; L203-C207 VanDerWaalsContact O-SG 3.36Å
204F98.1Very high97.8Very high140 Ų14072 Ų7261%0.61436%0.364SS*.Hα-helixtrans-60.4-41.1171.5-74.4-52000112.3V200 R201 V206 C207 V208V200-F204 HydrophobicContact CG1-CD2 3.88Å; V200-F204 HydrophobicContact CG1-CE2 3.45Å; V200-F204 VanDerWaalsContact CG1-CE2 3.45Å; V200-F204 HydrophobicContact CG1-CZ 4.27Å; V200-F204 WeakPolarHBondContact O-CD2 3.34Å; V200-F204 PolarHBondContact O-N 2.87Å; R201-F204 PolarHBondContact O-N 2.93Å; F204-V206 VanDerWaalsContact C-N 3.3Å; F204-V206 PolarHBondContact O-N 2.85Å; F204-C207 WeakPolarHBondContact O-CB 3.42Å; F204-C207 PolarHBondContact O-N 3.37Å; F204-V208 PolarHBondContact O-N 2.97Å
205C98.3Very high97.6Very high79 Ų7972 Ų7253%0.53437%0.366SS..Hα-helixtrans-61.2-39.7173.2-62.10000111.9R201 R202 L203 C207 V208 E209R201-C205 PolarHBondContact O-N 2.8Å; R201-C205 VanDerWaalsContact O-N 3.13Å; R201-C205 PolarHBondContact O-SG 2.78Å; R201-C205 VanDerWaalsContact O-SG 3.4Å; R202-C205 WeakPolarHBondContact O-CB 3.24Å; R202-C205 PolarHBondContact O-N 3.43Å; L203-C205 VanDerWaalsContact C-N 3.31Å; L203-C205 PolarHBondContact O-N 3.07Å; C205-C207 VanDerWaalsContact C-N 3.35Å; C205-V208 PolarHBondContact O-N 3.09Å; C205-E209 WeakPolarHBondContact O-CB 3.22Å; C205-E209 PolarHBondContact O-N 2.79Å
206V98.1Very high97.5Very high10 Ų1072.4 Ų72.46%0.06137%0.372CS..Hα-helixtrans-64.9-37.7176.4173.50000111.5R70 V71 R202 L203 F204 V208 E209 V210R70-V206 HydrophobicContact CB-CG1 3.94Å; V71-V206 HydrophobicContact CG2-CG1 3.9Å; R202-V206 WeakPolarHBondContact O-CG2 3.41Å; R202-V206 PolarHBondContact O-N 3.41Å; L203-V206 WeakPolarHBondContact O-CB 3.45Å; L203-V206 PolarHBondContact O-N 2.86Å; L203-V206 VanDerWaalsContact O-N 3.11Å; F204-V206 VanDerWaalsContact C-N 3.3Å; F204-V206 PolarHBondContact O-N 2.85Å; V206-V208 VanDerWaalsContact C-N 3.35Å; V206-V208 PolarHBondContact O-N 2.82Å; V206-E209 WeakPolarHBondContact O-CB 3.3Å; V206-E209 PolarHBondContact O-N 3.17Å; V206-V210 HydrophobicContact CG1-CG2 4.32Å; V206-V210 WeakPolarHBondContact O-CG2 3.45Å; V206-V210 PolarHBondContact O-N 3.21Å
207C97.6Very high97.4Very high31 Ų3169.3 Ų69.321%0.20936%0.364CS..Hα-helixtrans-57.1-49.7174-67.10000111.4F67 L203 F204 C205 E209 V210 E211F67-C207 HydrophobicContact CE1-CB 3.82Å; L203-C207 PolarHBondContact O-N 3.38Å; L203-C207 PolarHBondContact O-SG 3.15Å; L203-C207 VanDerWaalsContact O-SG 3.36Å; F204-C207 WeakPolarHBondContact O-CB 3.42Å; F204-C207 PolarHBondContact O-N 3.37Å; C205-C207 VanDerWaalsContact C-N 3.35Å; C207-E209 VanDerWaalsContact C-N 3.31Å; C207-E209 PolarHBondContact O-N 3.3Å; C207-V210 PolarHBondContact O-N 3.28Å; C207-E211 PolarHBondContact O-N 3.45Å; C207-E211 VanDerWaalsContact O-N 3.12Å
208V97.8Very high97.2Very high88 Ų8865.9 Ų65.953%0.53335%0.347SS..Hα-helixtrans-63.5-39178.1177.30000111.1F204 C205 V206 E211 S212F204-V208 PolarHBondContact O-N 2.97Å; C205-V208 PolarHBondContact O-N 3.09Å; V206-V208 VanDerWaalsContact C-N 3.35Å; V206-V208 PolarHBondContact O-N 2.82Å; V208-E211 PolarHBondContact O-N 2.92Å; V208-S212 WeakPolarHBondContact O-CB 3.4Å; V208-S212 PolarHBondContact O-N 3.08Å; V208-S212 PolarHBondContact O-OG 3.1Å
209E97.5Very high97.2Very high99 Ų9969.3 Ų69.346%0.46336%0.357SS..Hα-helixtrans-61.8-44.7176.4-169.9-160.1135.900111.9R70 C205 V206 C207 S212 S213R70-E209 IonicContact CZ-OE1 3.55Å; R70-E209 IonicContact NH1-OE1 3.91Å; R70-E209 PolarHBondContact NH1-OE1 2.98Å; R70-E209 VanDerWaalsContact NH1-OE1 3.08Å; R70-E209 IonicContact NH2-OE1 2.66Å; R70-E209 PolarHBondContact NH2-OE1 3.5Å; R70-E209 IonicContact NH2-OE2 3.9Å; R70-E209 PolarHBondContact NH2-OE2 3.2Å; C205-E209 WeakPolarHBondContact O-CB 3.22Å; C205-E209 PolarHBondContact O-N 2.79Å; V206-E209 WeakPolarHBondContact O-CB 3.3Å; V206-E209 PolarHBondContact O-N 3.17Å; C207-E209 VanDerWaalsContact C-N 3.31Å; C207-E209 PolarHBondContact O-N 3.3Å; E209-S212 PolarHBondContact O-N 3.17Å; E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-N 3.47Å
210V97.2Very high97.1Very high3 Ų374.6 Ų74.62%0.01838%0.375CS..Hα-helixtrans-60.1-50.3177.8168.90000110.3M63 F67 V206 C207 S213M63-V210 HydrophobicContact CG-CG1 4.03Å; M63-V210 WeakPolarHBondContact O-CG1 3.43Å; F67-V210 HydrophobicContact CD1-CG1 4.46Å; F67-V210 HydrophobicContact CE1-CB 4.49Å; F67-V210 HydrophobicContact CE1-CG1 4.45Å; V206-V210 HydrophobicContact CG1-CG2 4.32Å; V206-V210 WeakPolarHBondContact O-CG2 3.45Å; V206-V210 PolarHBondContact O-N 3.21Å; C207-V210 PolarHBondContact O-N 3.28Å; V210-S213 PolarHBondContact O-N 3.04Å; V210-S213 PolarHBondContact O-OG 3.42Å
211E95.7Very high97Very high93 Ų9371.5 Ų71.544%0.43536%0.356SS..Hα-helixtrans-61.7-47.6177.1-67.9-177.3-178.100111.8M63 F67 C207 V208 S213 V214M63-E211 HydrophobicContact CE-CG 4.32Å; M63-E211 HydrophobicContact CG-CG 4.39Å; M63-E211 HydrophobicContact SD-CG 3.97Å; F67-E211 HydrophobicContact CE2-CG 4.33Å; F67-E211 HydrophobicContact CZ-CG 3.63Å; F67-E211 WeakPolarHBondContact CZ-OE1 3.39Å; C207-E211 PolarHBondContact O-N 3.45Å; C207-E211 VanDerWaalsContact O-N 3.12Å; V208-E211 PolarHBondContact O-N 2.92Å; E211-S213 PolarHBondContact O-N 3.49Å; E211-V214 PolarHBondContact O-N 3.16Å; E211-V214 VanDerWaalsContact O-N 3.13Å
212S97.1Very high96.8Very high57 Ų5767 Ų6740%0.39934%0.342SS..Hα-helixtrans-62.5-30.7-177.9-60.40000112.5V208 E209 V214 I215 P216V208-S212 WeakPolarHBondContact O-CB 3.4Å; V208-S212 PolarHBondContact O-N 3.08Å; V208-S212 PolarHBondContact O-OG 3.1Å; E209-S212 PolarHBondContact O-N 3.17Å; S212-V214 PolarHBondContact O-N 3.31Å; S212-I215 PolarHBondContact O-N 3.22Å; S212-P216 WeakPolarHBondContact O-CD 3.39Å
213S95.9Very high96.8Very high68 Ų6865 Ų6548%0.47634%0.34SS..Hα-helixtrans-65.1-26.2179.174.90000113.3E209 V210 E211E209-S213 WeakPolarHBondContact O-CB 3.31Å; E209-S213 PolarHBondContact O-N 3.47Å; V210-S213 PolarHBondContact O-N 3.04Å; V210-S213 PolarHBondContact O-OG 3.42Å; E211-S213 PolarHBondContact O-N 3.49Å
214V95.7Very high96.6Very high4 Ų465.1 Ų65.12%0.02434%0.344CS..Hα-helixtrans-89.7-28.7-176.1165.30000112.1Q59 V62 M63 E211 S212 P216 I217 V218Q59-V214 HydrophobicContact CB-CG1 3.67Å; Q59-V214 HydrophobicContact CG-CG1 4.4Å; V62-V214 HydrophobicContact CG1-CG2 4.43Å; M63-V214 HydrophobicContact CB-CG2 4.39Å; M63-V214 HydrophobicContact CE-CB 4.43Å; M63-V214 HydrophobicContact CE-CG1 4.33Å; E211-V214 PolarHBondContact O-N 3.16Å; E211-V214 VanDerWaalsContact O-N 3.13Å; S212-V214 PolarHBondContact O-N 3.31Å; V214-P216 VanDerWaalsContact C-CD 3.48Å; V214-I217 PolarHBondContact O-N 3.05Å; V214-V218 HydrophobicContact CG1-CG2 3.47Å; V214-V218 VanDerWaalsContact CG1-CG2 3.47Å; V214-V218 PolarHBondContact O-N 3.28Å; V214-V218 VanDerWaalsContact O-N 3.09Å
215I95.2Very high96.4Very high103 Ų10359.9 Ų59.953%0.52832%0.322SS..Hα-helixtrans-49-46.8-176.7-65.6176.1000113.4S212 I217 V218 Q219S212-I215 PolarHBondContact O-N 3.22Å; I215-I217 PolarHBondContact O-N 3.48Å; I215-V218 PolarHBondContact O-N 3.22Å; I215-Q219 WeakPolarHBondContact O-CB 3.11Å; I215-Q219 PolarHBondContact O-N 3.17Å
216P97.2Very high96.2Very high79 Ų7960.8 Ų60.851%0.51332%0.322SS..Hα-helixtrans-62.9-28.4-178.4-2435.2000113.9S212 V214 R220S212-P216 WeakPolarHBondContact O-CD 3.39Å; V214-P216 VanDerWaalsContact C-CD 3.48Å; P216-R220 WeakPolarHBondContact O-CG 3.45Å; P216-R220 PolarHBondContact O-N 3.13Å
217I95.2Very high96.1Very high52 Ų5266.6 Ų66.627%0.26735%0.348SS..Hα-helixtrans-81.8-42.7178.4-47.6-173.3000110Q59 V214 I215 Q219 R220 C221Q59-I217 HydrophobicContact CG-CB 4.03Å; Q59-I217 HydrophobicContact CG-CG2 3.79Å; V214-I217 PolarHBondContact O-N 3.05Å; I215-I217 PolarHBondContact O-N 3.48Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.38Å; I217-R220 WeakPolarHBondContact O-CB 3.47Å; I217-R220 PolarHBondContact O-N 3.49Å; I217-C221 PolarHBondContact O-N 3.32Å; I217-C221 PolarHBondContact O-SG 3.28Å
218V95.9Very high95.8Very high20 Ų2066 Ų6612%0.12134%0.342CS..Hα-helixtrans-56.6-44173.4170.30000111.3L56 Q59 V214 I215 R220 C221 F222L56-V218 HydrophobicContact CD1-CB 4.09Å; L56-V218 HydrophobicContact CD1-CG1 3.65Å; L56-V218 HydrophobicContact CD1-CG2 3.62Å; Q59-V218 HydrophobicContact CB-CG2 4.06Å; Q59-V218 HydrophobicContact CG-CG2 4.4Å; V214-V218 HydrophobicContact CG1-CG2 3.47Å; V214-V218 VanDerWaalsContact CG1-CG2 3.47Å; V214-V218 PolarHBondContact O-N 3.28Å; V214-V218 VanDerWaalsContact O-N 3.09Å; I215-V218 PolarHBondContact O-N 3.22Å; V218-R220 VanDerWaalsContact C-N 3.32Å; V218-R220 PolarHBondContact O-N 2.99Å; V218-C221 WeakPolarHBondContact O-CB 3.19Å; V218-C221 PolarHBondContact O-N 3.05Å; V218-C221 VanDerWaalsContact O-N 3.15Å; V218-F222 HydrophobicContact CG1-CD2 4Å; V218-F222 HydrophobicContact CG1-CE2 3.34Å; V218-F222 HydrophobicContact CG1-CZ 3.63Å; V218-F222 WeakPolarHBondContact O-CD2 3.42Å; V218-F222 PolarHBondContact O-N 2.77Å
219Q96.6Very high95.4Very high96 Ų9664.2 Ų64.245%0.44934%0.337SS..Hα-helixtrans-60-42.8175.5-175.360.437.800111.6I215 I217 C221 F222 D223I215-Q219 WeakPolarHBondContact O-CB 3.11Å; I215-Q219 PolarHBondContact O-N 3.17Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.38Å; Q219-C221 VanDerWaalsContact C-N 3.31Å; Q219-C221 PolarHBondContact O-N 3.07Å; Q219-F222 PolarHBondContact O-N 2.82Å; Q219-D223 PolarHBondContact NE2-OD1 3.24Å; Q219-D223 PolarHBondContact O-N 3.33Å
220R96.5Very high95.1Very high159 Ų15965.7 Ų65.760%0.635%0.348SS*.Hα-helixtrans-62.1-37.6175.5-75.6-171.5-66.4148-1.6112.5P216 I217 V218 D223 G224P216-R220 WeakPolarHBondContact O-CG 3.45Å; P216-R220 PolarHBondContact O-N 3.13Å; I217-R220 WeakPolarHBondContact O-CB 3.47Å; I217-R220 PolarHBondContact O-N 3.49Å; V218-R220 VanDerWaalsContact C-N 3.32Å; V218-R220 PolarHBondContact O-N 2.99Å; R220-D223 PolarHBondContact O-N 3.44Å; R220-G224 PolarHBondContact O-N 3.48Å
221C95.7Very high94.8Very high4 Ų471.1 Ų71.13%0.02737%0.371CS..Hα-helixtrans-63.4-42.7174.8-65.30000111.7E52 I217 V218 Q219 G224 M225E52-C221 HydrophobicContact CB-CB 4.47Å; E52-C221 VanDerWaalsContact OE2-CA 3.26Å; E52-C221 WeakPolarHBondContact OE2-CA 3.4Å; I217-C221 PolarHBondContact O-N 3.32Å; I217-C221 PolarHBondContact O-SG 3.28Å; V218-C221 WeakPolarHBondContact O-CB 3.19Å; V218-C221 PolarHBondContact O-N 3.05Å; V218-C221 VanDerWaalsContact O-N 3.15Å; Q219-C221 VanDerWaalsContact C-N 3.31Å; Q219-C221 PolarHBondContact O-N 3.07Å; C221-G224 PolarHBondContact O-N 2.93Å; C221-M225 HydrophobicContact CB-CE 4.09Å; C221-M225 WeakPolarHBondContact O-CE 3.41Å; C221-M225 WeakPolarHBondContact O-CG 3.15Å; C221-M225 PolarHBondContact O-N 3.46Å
222F95.5Very high94.3Very high87 Ų8770.7 Ų70.738%0.38238%0.375SS..Hα-helixtrans-63.7-42.3174.3-62.8-35.4000112.3L56 V218 Q219 G224 M225 L226L56-F222 HydrophobicContact CD2-CE1 3.78Å; L56-F222 HydrophobicContact CD2-CZ 4.26Å; V218-F222 HydrophobicContact CG1-CD2 4Å; V218-F222 HydrophobicContact CG1-CE2 3.34Å; V218-F222 HydrophobicContact CG1-CZ 3.63Å; V218-F222 WeakPolarHBondContact O-CD2 3.42Å; V218-F222 PolarHBondContact O-N 2.77Å; Q219-F222 PolarHBondContact O-N 2.82Å; F222-G224 VanDerWaalsContact C-N 3.31Å; F222-G224 PolarHBondContact O-N 3.13Å; F222-M225 HydrophobicContact CD1-CE 3.76Å; F222-M225 HydrophobicContact CE1-CE 4.21Å; F222-M225 PolarHBondContact O-N 3.3Å; F222-L226 WeakPolarHBondContact O-CB 3.34Å; F222-L226 VanDerWaalsContact O-CG 3.3Å; F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.08Å
223D96.9Very high93.7Very high80 Ų8071.9 Ų71.943%0.42838%0.376SS..Hα-helixtrans-61.1-40.5176.6-63-21.6000111.2Q219 R220 L226 Q227Q219-D223 PolarHBondContact NE2-OD1 3.24Å; Q219-D223 PolarHBondContact O-N 3.33Å; R220-D223 PolarHBondContact O-N 3.44Å; D223-L226 PolarHBondContact O-N 2.94Å; D223-Q227 WeakPolarHBondContact O-CB 3.44Å; D223-Q227 PolarHBondContact O-N 2.69Å
224G94.8Very high93.3Very high15 Ų1573 Ų7316%0.15538%0.382CS..Hα-helixtrans-63.5-46.3174.800000113.1R220 C221 F222 L226 Q227 E228R220-G224 PolarHBondContact O-N 3.48Å; C221-G224 PolarHBondContact O-N 2.93Å; F222-G224 VanDerWaalsContact C-N 3.31Å; F222-G224 PolarHBondContact O-N 3.13Å; G224-L226 PolarHBondContact O-N 3.22Å; G224-Q227 WeakPolarHBondContact O-CB 3.5Å; G224-Q227 PolarHBondContact O-N 3.21Å; G224-E228 PolarHBondContact O-N 3.27Å
225M93.9Very high93Very high30 Ų3076.1 Ų76.115%0.14841%0.408CS..Hα-helixtrans-60.7-43.6175-70.1-178-117.200112I49 E52 L53 L56 C221 F222 E228 A229I49-M225 HydrophobicContact CG2-CG 4.27Å; I49-M225 HydrophobicContact CG2-SD 4.49Å; E52-M225 HydrophobicContact CB-CE 3.95Å; E52-M225 HydrophobicContact CB-CG 3.56Å; E52-M225 HydrophobicContact CB-SD 4.38Å; E52-M225 HydrophobicContact CG-CG 4.1Å; L53-M225 HydrophobicContact CD2-CE 4.05Å; L53-M225 HydrophobicContact CD2-SD 3.91Å; L53-M225 HydrophobicContact CG-CE 4.41Å; L53-M225 HydrophobicContact CG-SD 4.05Å; L56-M225 HydrophobicContact CD2-CE 4.39Å; C221-M225 HydrophobicContact CB-CE 4.09Å; C221-M225 WeakPolarHBondContact O-CE 3.41Å; C221-M225 WeakPolarHBondContact O-CG 3.15Å; C221-M225 PolarHBondContact O-N 3.46Å; F222-M225 HydrophobicContact CD1-CE 3.76Å; F222-M225 HydrophobicContact CE1-CE 4.21Å; F222-M225 PolarHBondContact O-N 3.3Å; M225-E228 PolarHBondContact O-N 2.93Å; M225-A229 WeakPolarHBondContact O-CB 3.39Å; M225-A229 PolarHBondContact O-N 3.47Å
226L95.2Very high92.5Very high99 Ų9973.2 Ų73.252%0.51840%0.399SS..Hα-helixtrans-65.6-39.6176.9-73.4173000111.5F222 D223 G224 E228 A229 N230F222-L226 WeakPolarHBondContact O-CB 3.34Å; F222-L226 VanDerWaalsContact O-CG 3.3Å; F222-L226 WeakPolarHBondContact O-CG 3.34Å; F222-L226 PolarHBondContact O-N 3.08Å; D223-L226 PolarHBondContact O-N 2.94Å; G224-L226 PolarHBondContact O-N 3.22Å; L226-E228 VanDerWaalsContact C-N 3.31Å; L226-E228 PolarHBondContact O-N 2.9Å; L226-A229 PolarHBondContact O-N 3.12Å; L226-N230 VanDerWaalsContact O-CB 3.3Å; L226-N230 WeakPolarHBondContact O-CB 3.39Å; L226-N230 PolarHBondContact O-N 3.42Å; L226-N230 PolarHBondContact O-ND2 2.84Å
227Q94.8Very high91.8Very high131 Ų13172.2 Ų72.261%0.61239%0.39SS*.Hα-helixtrans-59.4-44175.5-175-178.113.100111D223 G224 N230 K231D223-Q227 WeakPolarHBondContact O-CB 3.44Å; D223-Q227 PolarHBondContact O-N 2.69Å; G224-Q227 WeakPolarHBondContact O-CB 3.5Å; G224-Q227 PolarHBondContact O-N 3.21Å; Q227-N230 PolarHBondContact O-N 3.23Å; Q227-K231 PolarHBondContact O-N 3.49Å
228E91.2Very high91.2Very high19 Ų1973.1 Ų73.19%0.08940%0.401CS..Hα-helixtrans-68.2-42.5178.5-166.657.9-141.200112.2S45 E48 I49 G224 M225 L226 N230 K231S45-E228 WeakPolarHBondContact CA-OE1 3.49Å; S45-E228 WeakPolarHBondContact CB-OE1 3.24Å; S45-E228 WeakPolarHBondContact O-CG 3.19Å; S45-E228 PolarHBondContact OG-OE1 3.35Å; E48-E228 HydrophobicContact CB-CG 4.35Å; I49-E228 HydrophobicContact CD1-CB 4.49Å; I49-E228 HydrophobicContact CD1-CG 4.33Å; I49-E228 HydrophobicContact CG1-CB 4.05Å; I49-E228 HydrophobicContact CG1-CG 4.05Å; G224-E228 PolarHBondContact O-N 3.27Å; M225-E228 PolarHBondContact O-N 2.93Å; L226-E228 VanDerWaalsContact C-N 3.31Å; L226-E228 PolarHBondContact O-N 2.9Å; E228-N230 VanDerWaalsContact C-N 3.28Å; E228-N230 PolarHBondContact O-N 3.4Å; E228-K231 WeakPolarHBondContact O-CB 3.14Å; E228-K231 PolarHBondContact O-N 2.91Å; E228-K231 VanDerWaalsContact O-N 3.15Å; E228-K231 IonicContact OE1-NZ 3.38Å; E228-K231 WeakPolarHBondContact OE2-CD 3.5Å; E228-K231 WeakPolarHBondContact OE2-CE 3.43Å; E228-K231 IonicContact OE2-NZ 3.66Å; E228-K231 PolarHBondContact OE2-NZ 2.9Å
229A89.9Confident90.6Very high51 Ų5176.9 Ų76.942%0.42142%0.42SS..Hα-helixtrans-60.4-39.1175.700000112.2M225 L226 K231 V232M225-A229 WeakPolarHBondContact O-CB 3.39Å; M225-A229 PolarHBondContact O-N 3.47Å; L226-A229 PolarHBondContact O-N 3.12Å; A229-K231 PolarHBondContact O-N 3.29Å; A229-V232 WeakPolarHBondContact O-CG2 3.36Å; A229-V232 PolarHBondContact O-N 3.44Å
230N91.5Very high89.7Confident130 Ų13075 Ų7570%0.69542%0.415SS*.THydrogen-bonded Turntrans-74.1-5.7179.3-73.2-40.5000114.2L226 Q227 E228L226-N230 VanDerWaalsContact O-CB 3.3Å; L226-N230 WeakPolarHBondContact O-CB 3.39Å; L226-N230 PolarHBondContact O-N 3.42Å; L226-N230 PolarHBondContact O-ND2 2.84Å; Q227-N230 PolarHBondContact O-N 3.23Å; E228-N230 VanDerWaalsContact C-N 3.28Å; E228-N230 PolarHBondContact O-N 3.4Å
231K89.8Confident88.8Confident117 Ų11772.4 Ų72.451%0.50941%0.412SS..THydrogen-bonded Turntrans-75.6-13171.1-69.7174.2-172.3169.80112.9Q227 E228 A229 D233Q227-K231 PolarHBondContact O-N 3.49Å; E228-K231 WeakPolarHBondContact O-CB 3.14Å; E228-K231 PolarHBondContact O-N 2.91Å; E228-K231 VanDerWaalsContact O-N 3.15Å; E228-K231 IonicContact OE1-NZ 3.38Å; E228-K231 WeakPolarHBondContact OE2-CD 3.5Å; E228-K231 WeakPolarHBondContact OE2-CE 3.43Å; E228-K231 IonicContact OE2-NZ 3.66Å; E228-K231 PolarHBondContact OE2-NZ 2.9Å; A229-K231 PolarHBondContact O-N 3.29Å; K231-D233 PolarHBondContact O-N 3.25Å
232V85.2Confident88Confident84 Ų8476.1 Ų76.151%0.50944%0.435SS..  trans-69.8113.7174.9-179.60000108.8A229A229-V232 WeakPolarHBondContact O-CG2 3.36Å; A229-V232 PolarHBondContact O-N 3.44Å
233D86.1Confident87Confident81 Ų8176.1 Ų76.143%0.43344%0.439SS..  trans-111.9104.8177.1177.9-5.9000109.7K231 A235 A236 D237K231-D233 PolarHBondContact O-N 3.25Å; D233-A235 PolarHBondContact O-N 3.36Å; D233-A235 WeakPolarHBondContact OD1-CB 3.47Å; D233-A235 PolarHBondContact OD1-N 2.92Å; D233-A236 HydrophobicContact CB-CB 3.82Å; D233-A236 PolarHBondContact O-N 2.89Å; D233-A236 PolarHBondContact OD1-N 2.93Å; D233-A236 WeakPolarHBondContact OD2-CB 3.44Å; D233-D237 WeakPolarHBondContact O-CB 3.47Å; D233-D237 PolarHBondContact O-N 3.42Å
234P86.5Confident85.8Confident93 Ų9376 Ų7660%0.60443%0.432SS*.Hα-helixtrans-58.4-31.5179.7-25.334.5000114.1S238P234-S238 VanDerWaalsContact O-CB 3.28Å; P234-S238 WeakPolarHBondContact O-CB 3.34Å; P234-S238 PolarHBondContact O-N 3.37Å; P234-S238 PolarHBondContact O-OG 3.3Å
235A88.6Confident84.9Confident69 Ų6982.8 Ų82.857%0.5745%0.454SS*.Hα-helixtrans-75.4-42.7-179.700000110.9D233 D237 S238 L239D233-A235 PolarHBondContact O-N 3.36Å; D233-A235 WeakPolarHBondContact OD1-CB 3.47Å; D233-A235 PolarHBondContact OD1-N 2.92Å; A235-D237 VanDerWaalsContact C-N 3.35Å; A235-S238 PolarHBondContact O-N 2.67Å; A235-L239 WeakPolarHBondContact O-CB 3.38Å; A235-L239 PolarHBondContact O-N 2.85Å
236A85.3Confident84.1Confident41 Ų4189.8 Ų89.834%0.33948%0.479SS..Hα-helixtrans-63.6-40.4173.100000112D233 L239 T240D233-A236 HydrophobicContact CB-CB 3.82Å; D233-A236 PolarHBondContact O-N 2.89Å; D233-A236 PolarHBondContact OD1-N 2.93Å; D233-A236 WeakPolarHBondContact OD2-CB 3.44Å; A236-L239 PolarHBondContact O-N 3.02Å; A236-T240 PolarHBondContact O-N 3.19Å; A236-T240 PolarHBondContact O-OG1 3.08Å
237D82Confident83.2Confident58 Ų5889.1 Ų89.131%0.3148%0.483SS..Hα-helixtrans-63.2-43.2174.9-76.24.1000110.9Y42 D233 A235 T240 L241Y42-D237 PolarHBondContact OH-OD2 2.87Å; Y42-D237 VanDerWaalsContact OH-OD2 3.04Å; D233-D237 WeakPolarHBondContact O-CB 3.47Å; D233-D237 PolarHBondContact O-N 3.42Å; A235-D237 VanDerWaalsContact C-N 3.35Å; D237-T240 WeakPolarHBondContact O-CB 3.35Å; D237-T240 PolarHBondContact O-N 2.95Å; D237-L241 PolarHBondContact O-N 3.4Å
238S83Confident82.3Confident71 Ų7186.3 Ų86.350%0.49749%0.489SS..Hα-helixtrans-65.3-39175.5-61.60000112.2P234 A235 T240 L241 V242P234-S238 VanDerWaalsContact O-CB 3.28Å; P234-S238 WeakPolarHBondContact O-CB 3.34Å; P234-S238 PolarHBondContact O-N 3.37Å; P234-S238 PolarHBondContact O-OG 3.3Å; A235-S238 PolarHBondContact O-N 2.67Å; S238-T240 VanDerWaalsContact C-N 3.28Å; S238-T240 PolarHBondContact O-N 3.03Å; S238-L241 WeakPolarHBondContact O-CA 3.47Å; S238-L241 VanDerWaalsContact O-CB 3.28Å; S238-L241 WeakPolarHBondContact O-CB 3.31Å; S238-L241 PolarHBondContact O-N 3.4Å; S238-L241 VanDerWaalsContact O-N 3.09Å; S238-V242 PolarHBondContact O-N 3.07Å
239L83.1Confident81.6Confident100 Ų10095.1 Ų95.152%0.52452%0.523SS..Hα-helixtrans-63.8-38.2175.9-173.464.6000110.8A235 A236 L241 V242 D243A235-L239 WeakPolarHBondContact O-CB 3.38Å; A235-L239 PolarHBondContact O-N 2.85Å; A236-L239 PolarHBondContact O-N 3.02Å; L239-L241 PolarHBondContact O-N 3.13Å; L239-V242 PolarHBondContact O-N 3.11Å; L239-V242 VanDerWaalsContact O-N 3.12Å; L239-D243 PolarHBondContact O-N 3.04Å
240T78.7Confident81Confident56 Ų5695.9 Ų95.934%0.34454%0.536SS..Hα-helixtrans-59.1-35.8173-55.30000111.6V38 A236 D237 S238 R244V38-T240 HydrophobicContact CG2-CG2 4.27Å; A236-T240 PolarHBondContact O-N 3.19Å; A236-T240 PolarHBondContact O-OG1 3.08Å; D237-T240 WeakPolarHBondContact O-CB 3.35Å; D237-T240 PolarHBondContact O-N 2.95Å; S238-T240 VanDerWaalsContact C-N 3.28Å; S238-T240 PolarHBondContact O-N 3.03Å; T240-R244 WeakPolarHBondContact O-CB 3.46Å; T240-R244 WeakPolarHBondContact O-CD 3.38Å; T240-R244 WeakPolarHBondContact O-CG 3.43Å; T240-R244 PolarHBondContact O-N 2.9Å
241L77.6Confident80.2Confident104 Ų10497.7 Ų97.755%0.54555%0.545SS..Hα-helixtrans-68.1-47.9172.5-172.678.3000111.7D237 S238 L239 D243 R244 Y245D237-L241 PolarHBondContact O-N 3.4Å; S238-L241 WeakPolarHBondContact O-CA 3.47Å; S238-L241 VanDerWaalsContact O-CB 3.28Å; S238-L241 WeakPolarHBondContact O-CB 3.31Å; S238-L241 PolarHBondContact O-N 3.4Å; S238-L241 VanDerWaalsContact O-N 3.09Å; L239-L241 PolarHBondContact O-N 3.13Å; L241-D243 PolarHBondContact O-N 3.42Å; L241-R244 WeakPolarHBondContact O-CB 3.44Å; L241-R244 PolarHBondContact O-N 3.18Å; L241-Y245 HydrophobicContact CD1-CD2 3.58Å; L241-Y245 HydrophobicContact CD1-CE2 3.46Å; L241-Y245 VanDerWaalsContact CD1-CE2 3.46Å; L241-Y245 HydrophobicContact CG-CD2 3.96Å; L241-Y245 HydrophobicContact CG-CE2 4.35Å; L241-Y245 VanDerWaalsContact O-CD2 3.29Å; L241-Y245 WeakPolarHBondContact O-CD2 3.29Å; L241-Y245 PolarHBondContact O-N 2.99Å
242V77.7Confident79.9Confident82 Ų8297.8 Ų97.850%0.49756%0.557SS.*Hα-helixtrans-60.8-47.6-179.7174.20000110.9S238 L239 R244 Y245 R246S238-V242 PolarHBondContact O-N 3.07Å; L239-V242 PolarHBondContact O-N 3.11Å; L239-V242 VanDerWaalsContact O-N 3.12Å; V242-R244 PolarHBondContact O-N 3.19Å; V242-Y245 PolarHBondContact O-N 3.44Å; V242-R246 VanDerWaalsContact O-CB 3.26Å; V242-R246 WeakPolarHBondContact O-CB 3.49Å; V242-R246 PolarHBondContact O-N 2.87Å
243D75.4Confident79.9Confident88 Ų88102.4 Ų102.447%0.47157%0.574SS.*Hα-helixtrans-60.4-32.4178.1-79.7-28000112.4L239 L241 R246L239-D243 PolarHBondContact O-N 3.04Å; L241-D243 PolarHBondContact O-N 3.42Å; D243-R246 IonicContact OD1-NH1 3.39Å; D243-R246 PolarHBondContact OD1-NH1 3.3Å
244R71.3Confident79.9Confident76 Ų76107.4 Ų107.429%0.28759%0.594SS.*Hα-helixtrans-72.2-38.6175.8-76.8173.5-173.3-149.7-0.6114.1D34 T240 L241 V242D34-R244 VanDerWaalsContact C-NH2 3.29Å; D34-R244 PolarHBondContact O-NH2 2.71Å; T240-R244 WeakPolarHBondContact O-CB 3.46Å; T240-R244 WeakPolarHBondContact O-CD 3.38Å; T240-R244 WeakPolarHBondContact O-CG 3.43Å; T240-R244 PolarHBondContact O-N 2.9Å; L241-R244 WeakPolarHBondContact O-CB 3.44Å; L241-R244 PolarHBondContact O-N 3.18Å; V242-R244 PolarHBondContact O-N 3.19Å
245Y76Confident79.8Confident158 Ų158112.8 Ų112.862%0.6261%0.608SS**Hα-helixtrans-112.6-1.1-168.5-67.2-75.9000114.5L241 V242 S247L241-Y245 HydrophobicContact CD1-CD2 3.58Å; L241-Y245 HydrophobicContact CD1-CE2 3.46Å; L241-Y245 VanDerWaalsContact CD1-CE2 3.46Å; L241-Y245 HydrophobicContact CG-CD2 3.96Å; L241-Y245 HydrophobicContact CG-CE2 4.35Å; L241-Y245 VanDerWaalsContact O-CD2 3.29Å; L241-Y245 WeakPolarHBondContact O-CD2 3.29Å; L241-Y245 PolarHBondContact O-N 2.99Å; V242-Y245 PolarHBondContact O-N 3.44Å; Y245-S247 PolarHBondContact O-N 3.08Å
246R76.7Confident79.5Confident177 Ų177114.7 Ų114.767%0.66862%0.615SS**  trans-59.2124.7175.468.9-175.3-155.3-175.210.1109.7V242 D243 G248V242-R246 VanDerWaalsContact O-CB 3.26Å; V242-R246 WeakPolarHBondContact O-CB 3.49Å; V242-R246 PolarHBondContact O-N 2.87Å; D243-R246 IonicContact OD1-NH1 3.39Å; D243-R246 PolarHBondContact OD1-NH1 3.3Å; R246-G248 PolarHBondContact O-N 3.46Å
247S75.8Confident79.5Confident85 Ų85121.3 Ų121.359%0.59464%0.636SS**  trans-72.2-19.3-173.4680000113.4Y245 Y249Y245-S247 PolarHBondContact O-N 3.08Å; S247-Y249 PolarHBondContact O-N 2.83Å; S247-Y249 VanDerWaalsContact O-N 3.17Å; S247-Y249 PolarHBondContact OG-N 3.45Å
248G77.2Confident79.5Confident73 Ų73123.5 Ų123.575%0.75365%0.652SS**  trans72.2-6.1-175.600000114.5R246R246-G248 PolarHBondContact O-N 3.46Å
249Y76.4Confident79.2Confident203 Ų203123.9 Ų123.980%0.79665%0.648SS**PPolyproline II helixtrans-73136.4175.1-62-66.5000110.5S247S247-Y249 PolarHBondContact O-N 2.83Å; S247-Y249 VanDerWaalsContact O-N 3.17Å; S247-Y249 PolarHBondContact OG-N 3.45Å
250G77.1Confident79.1Confident68 Ų68126.3 Ų126.370%0.70166%0.661SS**PPolyproline II helixtrans-62.7161.5168.100000111.3
251L75.7Confident79Confident168 Ų168130.2 Ų130.288%0.8868%0.68SS**PPolyproline II helixtrans-55.1140.8169.8-71.5168.6000109E253L251-E253 PolarHBondContact O-N 3.36Å
252P82.7Confident78.4Confident118 Ų118129.7 Ų129.777%0.76668%0.683SS**PPolyproline II helixtrans-50.2134.4170.4-25.234000110.1
253E84.3Confident77.6Confident182 Ų182131.2 Ų131.285%0.8569%0.694SS**PPolyproline II helixtrans-58.4141.3174.6-68.6-172.7171.100109.7L251 F255L251-E253 PolarHBondContact O-N 3.36Å; E253-F255 PolarHBondContact O-N 3Å
254E85.9Confident76.9Confident186 Ų186131.4 Ų131.487%0.86971%0.708SS**PPolyproline II helixtrans-61135173.4-68.4-172.817200109.2P256E254-P256 WeakPolarHBondContact O-CD 3.34Å; E254-P256 VanDerWaalsContact O-N 3.13Å
255F85.7Confident76.1Confident205 Ų205133.9 Ų133.990%0.89973%0.734SS**PPolyproline II helixtrans-62.6116.3173.4-66.8-76.3000108.9E253 F257E253-F255 PolarHBondContact O-N 3Å; F255-F257 PolarHBondContact O-N 3.28Å
256P82Confident74.7Confident109 Ų109131.1 Ų131.171%0.70874%0.744SS**PPolyproline II helixtrans-66.2140.3177.227-32.9000109.5E254 V258E254-P256 WeakPolarHBondContact O-CD 3.34Å; E254-P256 VanDerWaalsContact O-N 3.13Å; P256-V258 PolarHBondContact O-N 3.33Å; P256-V258 VanDerWaalsContact O-N 3.1Å
257F84.3Confident73Confident180 Ų180126.9 Ų126.979%0.78975%0.747SS**  trans-63.2114.2170.6178.6-101.6000108.9F255 D259F255-F257 PolarHBondContact O-N 3.28Å; F257-D259 HydrophobicContact CD1-CB 4.07Å; F257-D259 HydrophobicContact CE1-CB 3.69Å; F257-D259 PolarHBondContact O-N 2.91Å
258V82.9Confident71.3Confident104 Ų104128.4 Ų128.463%0.6376%0.757SS**  trans-82.796.4172.7-178.30000107.5P256 L260P256-V258 PolarHBondContact O-N 3.33Å; P256-V258 VanDerWaalsContact O-N 3.1Å; V258-L260 HydrophobicContact CG1-CD2 4.15Å; V258-L260 PolarHBondContact O-N 2.9Å
259D77.8Confident69.4Low80 Ų80128.9 Ų128.943%0.42875%0.754SS.*  trans-68.5111.1168.2-166-8.1000108.7F257 N261F257-D259 HydrophobicContact CD1-CB 4.07Å; F257-D259 HydrophobicContact CE1-CB 3.69Å; F257-D259 PolarHBondContact O-N 2.91Å; D259-N261 PolarHBondContact O-N 3.01Å; D259-N261 VanDerWaalsContact OD1-C 3.31Å; D259-N261 WeakPolarHBondContact OD1-CA 3.39Å; D259-N261 PolarHBondContact OD1-N 3.07Å
260L79.6Confident67.4Low151 Ų151124.2 Ų124.279%0.79175%0.751SS**SBendtrans-74.6-10.1175.1-65.9174000112.2V258V258-L260 HydrophobicContact CG1-CD2 4.15Å; V258-L260 PolarHBondContact O-N 2.9Å
261N77.3Confident65.4Low137 Ų137128 Ų12873%0.73376%0.761SS**SBendtrans-131.566.2178.6-74-35.2000111.3D259D259-N261 PolarHBondContact O-N 3.01Å; D259-N261 VanDerWaalsContact OD1-C 3.31Å; D259-N261 WeakPolarHBondContact OD1-CA 3.39Å; D259-N261 PolarHBondContact OD1-N 3.07Å
262P64.8Low63.5Low94 Ų94122.9 Ų122.961%0.6175%0.748SS**PPolyproline II helixtrans-58.5133.3172.425.8-32.3000109.2A264P262-A264 PolarHBondContact O-N 3.49Å
263P61.5Low61.1Low113 Ų113126.3 Ų126.373%0.73475%0.754SS**PPolyproline II helixtrans-58.3131.5176.720.6-29.3000109.6
264A60.2Low58.9Low93 Ų93124.2 Ų124.277%0.76975%0.753SS**PPolyproline II helixtrans-51.6128.4-179.300000110P262 A266P262-A264 PolarHBondContact O-N 3.49Å; A264-A266 PolarHBondContact O-N 3.32Å
265P55.3Low56.4Low128 Ų128123.8 Ų123.883%0.83175%0.751SS**  trans-62.6114.1-175.921.6-30000109.3A267P265-A267 PolarHBondContact O-N 3.43Å; P265-A267 VanDerWaalsContact O-N 3.09Å
266A45.9Very low54Low99 Ų99122 Ų12282%0.81875%0.751SS**  trans-54.2118.4163.700000107.2A264A264-A266 PolarHBondContact O-N 3.32Å
267A41.5Very low51.4Low88 Ų88119.4 Ų119.473%0.72774%0.744SS**  trans-56.1145.3175.200000110.2P265P265-A267 PolarHBondContact O-N 3.43Å; P265-A267 VanDerWaalsContact O-N 3.09Å
268S38.3Very low49.1Very low117 Ų117118.7 Ų118.782%0.81875%0.747SS**  trans97.2138.4156.777.10000119.4
269A37.4Very low46.4Very low84 Ų84118.8 Ų118.869%0.69475%0.753SS**  trans88.387.7162.200000118.1
270S36.4Very low44.3Very low105 Ų105122.8 Ų122.873%0.73477%0.774SS**  36122.2119.162.90000119.1
271V35.2Very low41.7Very low148 Ų148118.2 Ų118.290%0.89776%0.763SS**  149.6131.1125171.60000109.1
272G34.5Very low39.3Very low59 Ų59117.7 Ų117.761%0.60877%0.765SS**  trans116.495.2147.700000115.7V274G272-V274 PolarHBondContact O-N 2.96Å
273E33.1Very low37.4Very low191 Ų191121.1 Ų121.189%0.89378%0.778SS**  trans-39.8123.1153.6-66.1158.8123.100111.5
274V37.7Very low35.8Very low138 Ų138119.5 Ų119.584%0.83678%0.782SS**  trans-103.4101.2160-176.20000106.7G272 N276G272-V274 PolarHBondContact O-N 2.96Å; V274-N276 PolarHBondContact O-N 2.99Å
275Q32.6Very low34.2Very low177 Ų177119.5 Ų119.583%0.82778%0.782SS**  trans-54117.8169.8-74.6169.8-20.900110G277Q275-G277 PolarHBondContact O-N 3.19Å
276N35.2Very low33Very low167 Ų167119.9 Ų119.989%0.89379%0.786SS**  trans-77.281.6158.9-115-4.3000107.6V274V274-N276 PolarHBondContact O-N 2.99Å
277G27.6Very low31.9Very low54 Ų54120.5 Ų120.556%0.55779%0.785SS**  trans-128.675.1173.400000109.4Q275 S279Q275-G277 PolarHBondContact O-N 3.19Å; G277-S279 PolarHBondContact O-N 3.47Å
278L35.7Very low31.2Very low166 Ų166127.7 Ų127.787%0.86979%0.793SS**  trans-88.573.6166-79.5161.6000108.8N280L278-N280 PolarHBondContact O-N 2.7Å
279S27.5Very low30.6Very low106 Ų106125.7 Ų125.774%0.74178%0.784SS**  trans-70.2103.6155.2-52.20000107.7G277G277-S279 PolarHBondContact O-N 3.47Å
280N34.1Very low30.1Very low164 Ų164129.3 Ų129.388%0.87779%0.792SS**  trans-108.677.5155.7-102.25.8000107.7L278L278-N280 PolarHBondContact O-N 2.7Å
281G23.7Very low29.7Very low54 Ų54128.3 Ų128.356%0.55779%0.785SS**  trans-91.2152.1154.400000109.6
282T27.1Very low29.3Very low127 Ų127129.6 Ų129.678%0.77979%0.785SS**  trans68.9102.6152.564.60000117.5
283D25.5Very low29Very low165 Ų165130 Ų13088%0.88279%0.789SS**  176.2140.588.9-89.7-29.8000111.4
284G28.1Very low28.6Very low79 Ų79126.2 Ų126.281%0.81478%0.784SS**  trans161.852.4173.900000115C286G284-C286 PolarHBondContact O-N 2.81Å
285A26.2Very low28.1Very low94 Ų94124.8 Ų124.878%0.77778%0.779SS**  trans-58.2127.3172.700000111.9
286C29Very low27.8Very low135 Ų135127.8 Ų127.891%0.91278%0.783SS**  trans-138.876.9152.7-86.90000109.1G284G284-C286 PolarHBondContact O-N 2.81Å
287S23.8Very low27.7Very low112 Ų112127.4 Ų127.478%0.78378%0.78SS**  trans-79.3118.8153.7-65.10000108.8
288R26.8Very low27.8Very low239 Ų239131.8 Ų131.890%0.90279%0.791SS**  trans-174.4100.6145.3-106.4158.8-179.21550.7107
289A26.5Very low27.5Very low76 Ų76129.4 Ų129.463%0.62879%0.788SS**  81.8127.778.500000111.6
290N26.5Very low27.7Very low160 Ų160132.7 Ų132.786%0.85679%0.789SS**  trans75137.4150.4-66.73.6000114.6
291S26.9Very low27.6Very low84 Ų84133.9 Ų133.959%0.58779%0.789SS**  cis169.9145.611.7142.40000105.6
292L27.3Very low28Very low174 Ų174139.4 Ų139.491%0.91181%0.805SS**  trans68.1135.3154.2-9376.5000118.6
293G27.8Very low28Very low67 Ų67142.8 Ų142.869%0.69181%0.812SS**  trans150.953.7150.700000114.6C295G293-C295 PolarHBondContact O-N 3.29Å
294S25.6Very low28.1Very low112 Ų112146 Ų14678%0.78381%0.811SS**  trans-62.7101.7157.6160.10000108.3
295C26.6Very low28.3Very low109 Ų109146.4 Ų146.474%0.73681%0.807SS**  trans-119.381.2163.5-72.10000108.7G293 L297G293-C295 PolarHBondContact O-N 3.29Å; C295-L297 PolarHBondContact O-N 2.96Å
296R27Very low28.2Very low239 Ų239153.8 Ų153.890%0.90282%0.817SS**  trans-7096.6156.7-75.5179.5171.7170.7-2.3106.9
297L32.9Very low28.2Very low160 Ų160152.7 Ų152.784%0.83881%0.81SS**  trans-88.8131.5164.4-110.683.8000109.4C295 S299C295-L297 PolarHBondContact O-N 2.96Å; L297-S299 PolarHBondContact O-N 2.96Å
298D28.8Very low28.3Very low146 Ų146150.6 Ų150.678%0.78181%0.806SS**  trans-72.4114.4-167.3-160.7-8.2000111.5K300D298-K300 VanDerWaalsContact C-N 3.3Å; D298-K300 PolarHBondContact O-N 3.29Å
299S30.7Very low28.5Very low115 Ų115151.2 Ų151.280%0.80481%0.809SS**  trans-70.884.8165.3-86.90000109.2L297L297-S299 PolarHBondContact O-N 2.96Å
300K30.7Very low28.5Very low175 Ų175157.2 Ų157.276%0.76182%0.82SS**  trans-17580.1160.9-99.8152.6-164.3-176.10110.1D298D298-K300 VanDerWaalsContact C-N 3.3Å; D298-K300 PolarHBondContact O-N 3.29Å
301Q32.5Very low28.6Very low190 Ų190159.7 Ų159.789%0.88882%0.824SS**  trans173.7105.5141.3-98.9168.693.500107.7
302L32Very low28.5Very low170 Ų170159.7 Ų159.789%0.8984%0.837SS**  trans17962.9144.1-91.8167.9000107
303H27.4Very low28.7Very low198 Ų198155.2 Ų155.292%0.91783%0.833SS**  trans-114.370.4166-128.1-72.9000107.2
304R27.4Very low28.8Very low232 Ų232157.8 Ų157.888%0.87584%0.835SS**  trans-178.1120.7167.6-123174.8169.398.3-2.2104.9
305A31.8Very low28.9Very low88 Ų88160.1 Ų160.173%0.72784%0.838SS**  cis-149.9111.529.300000110.7
306Y25.2Very low29.1Very low249 Ų249166 Ų16698%0.97685%0.845SS**  trans-79.9104.4142.7-81.2-90.7000106.4
307S27.6Very low29.4Very low111 Ų111165.7 Ų165.778%0.77684%0.844SS**  trans-171.481.7161.3172.50000111.9
308G25.6Very low29.7Very low68 Ų68163.7 Ų163.770%0.70183%0.833SS**  trans76131.4133.800000119.4
309R30.9Very low29.7Very low253 Ų253167.2 Ų167.296%0.95584%0.841SS**  -176.3144.397-96.1170.7-166.8-134.43.5112.6
310K27.8Very low29.7Very low201 Ų201165 Ų16587%0.87484%0.837SS**  trans-24.8126164.5-69.2167.6170.8175.40113.8
311K28.4Very low29.7Very low213 Ų213163 Ų16393%0.92684%0.835SS**  48.392.267.3-155.5175.2-172.1174.50114
312G25.1Very low29.6Very low83 Ų83162.8 Ų162.886%0.85683%0.831SS**  trans-162.711016400000109.5
313G30Very low29.7Very low81 Ų81161.3 Ų161.384%0.83581%0.814SS**  trans167.958.6-175.700000112
314T29.8Very low30Very low121 Ų121155.3 Ų155.374%0.74279%0.794SS**  trans-80.3125.7176.1-48.60000109.1
315L29.6Very low30.6Very low160 Ų160153 Ų15384%0.83879%0.793SS**  trans169.8134.3130.2-91.7152.1000111.3
316R30Very low30.8Very low232 Ų232154.6 Ų154.688%0.87579%0.789SS**SBendtrans88.569.2175.6-50.6-160.2-162.9-111.46.9117.9
317R34.2Very low31.9Very low233 Ų233146.8 Ų146.888%0.87976%0.761SS**  trans-157.852138.9-129-171.2-71.9178-3.2112.1
318I38.6Very low32.8Very low119 Ų119145 Ų14561%0.6175%0.753SS**  trans-124.922.9-178.9-35.5175.6000113.3
319F29Very low34Very low219 Ų219149.2 Ų149.296%0.96175%0.752SS**SBendtrans-136.6100172.2-79.6-81.1000110.7
320G29.3Very low35.3Very low70 Ų70142.2 Ų142.272%0.72273%0.73SS**  trans158.530.9173.700000115.8K322G320-K322 VanDerWaalsContact C-N 3.33Å; G320-K322 PolarHBondContact O-N 2.82Å
321N31.4Very low37.1Very low133 Ų133133.1 Ų133.171%0.71169%0.691SS**  trans-73.587.3172.6-77.934.6000109.8
322K30.7Very low38.9Very low184 Ų184126 Ų12680%0.867%0.672SS**  trans-124.489.1159.1-151.7176.9-177-175.50107.2G320 S324G320-K322 VanDerWaalsContact C-N 3.33Å; G320-K322 PolarHBondContact O-N 2.82Å; K322-S324 PolarHBondContact O-N 2.87Å
323W33.1Very low40.9Very low140 Ų140129.3 Ų129.353%0.5367%0.67SS.*  trans-68.873.7172.8-58.486.4000107.8E400W323-E400 HydrophobicContact CZ3-CG 4.15Å
324S34.2Very low42.9Very low71 Ų71127.6 Ų127.650%0.49764%0.641SS.*  trans-88.7145.1175-164.60000108.7K322 D326K322-S324 PolarHBondContact O-N 2.87Å; S324-D326 PolarHBondContact O-N 3.22Å
325E40Very low45Very low185 Ų185124.9 Ų124.986%0.86463%0.626SS**THydrogen-bonded Turntrans-60.49.8-161.7-145.9154.5175.100117.1
326D37Very low46.9Very low120 Ų120119.7 Ų119.764%0.64260%0.602SS**THydrogen-bonded Turntrans-87-10.5-175.8-80.9-38.1000114.8S324 A328 K329S324-D326 PolarHBondContact O-N 3.22Å; D326-A328 PolarHBondContact O-N 3.39Å; D326-A328 VanDerWaalsContact O-N 3.13Å; D326-K329 PolarHBondContact O-N 3.48Å
327H48.3Very low49Very low85 Ų85112.2 Ų112.239%0.39459%0.585SS.*Hα-helixtrans-68.7-9.5178-72.1-68.8000114.5K329 E330 F331H327-K329 PolarHBondContact O-N 3.48Å; H327-E330 IonicContact CE1-OE2 2.86Å; H327-E330 PolarHBondContact CE1-OE2 3.35Å; H327-E330 IonicContact CG-OE2 3.44Å; H327-E330 IonicContact ND1-OE2 3.53Å; H327-E330 PolarHBondContact ND1-OE2 3.12Å; H327-E330 PolarHBondContact O-N 3.05Å; H327-F331 WeakPolarHBondContact O-CD2 3.36Å
328A46.8Very low51Low73 Ų73105.9 Ų105.960%0.60357%0.566SS**Hα-helixtrans-64.1-25.3173.800000112.5D326D326-A328 PolarHBondContact O-N 3.39Å; D326-A328 VanDerWaalsContact O-N 3.13Å
329K49.7Very low52.8Low158 Ų158100.9 Ų100.969%0.68754%0.54SS*.Hα-helixtrans-90.2-24.4-179.7-65.8-178.5-178.11730113.7D326 H327 F331 A332D326-K329 PolarHBondContact O-N 3.48Å; H327-K329 PolarHBondContact O-N 3.48Å; K329-F331 VanDerWaalsContact C-N 3.31Å; K329-F331 PolarHBondContact O-N 3.1Å; K329-A332 PolarHBondContact O-N 3.22Å
330E59.1Low55.3Low105 Ų10591 Ų9149%0.49150%0.497SS..Hα-helixtrans-65-33.2-173.8-167.7176.4-169.800113H327H327-E330 IonicContact CE1-OE2 2.86Å; H327-E330 PolarHBondContact CE1-OE2 3.35Å; H327-E330 IonicContact CG-OE2 3.44Å; H327-E330 IonicContact ND1-OE2 3.53Å; H327-E330 PolarHBondContact ND1-OE2 3.12Å; H327-E330 PolarHBondContact O-N 3.05Å
331F65.9Low57.9Low10 Ų1095.2 Ų95.24%0.04450%0.496CS..THydrogen-bonded Turntrans-87.4-26.1179.7-55.5-71.2000113.4H327 K329 D333 L334 Q339 Q342 V343 Q346 L407H327-F331 WeakPolarHBondContact O-CD2 3.36Å; K329-F331 VanDerWaalsContact C-N 3.31Å; K329-F331 PolarHBondContact O-N 3.1Å; F331-D333 PolarHBondContact O-N 3.34Å; F331-L334 PolarHBondContact O-N 3.07Å; F331-Q339 VanDerWaalsContact O-CG 3.3Å; F331-Q339 WeakPolarHBondContact O-CG 3.42Å; F331-Q339 PolarHBondContact O-NE2 3.34Å; F331-Q342 HydrophobicContact CD1-CB 4.39Å; F331-Q342 HydrophobicContact CE1-CB 4.16Å; F331-V343 HydrophobicContact CD1-CG2 4.27Å; F331-Q346 HydrophobicContact CZ-CG 4.29Å; F331-L407 HydrophobicContact CB-CD2 4.22Å; F331-L407 HydrophobicContact CD2-CD2 3.88Å; F331-L407 HydrophobicContact CG-CD2 4.11Å
332A64.7Low60.4Low65 Ų6592.2 Ų92.254%0.53748%0.478SS..THydrogen-bonded Turntrans-62.2-30.7-167.800000113.4K329 Q339K329-A332 PolarHBondContact O-N 3.22Å; A332-Q339 PolarHBondContact O-NE2 2.87Å
333D68.2Low63.2Low152 Ų15283.5 Ų83.581%0.81344%0.44SS*.THydrogen-bonded Turntrans-85.4-9-176.1-62.7-25.8000113.6F331F331-D333 PolarHBondContact O-N 3.34Å
334L72.6Confident65.8Low44 Ų4481.6 Ų81.623%0.2344%0.437CS..SBendtrans-84.1148.9-178-66.1168.2000112.4F331 Q338 Q339 Q342F331-L334 PolarHBondContact O-N 3.07Å; L334-Q338 HydrophobicContact CB-CB 4.46Å; L334-Q339 HydrophobicContact CB-CG 3.68Å; L334-Q339 WeakPolarHBondContact O-CG 3.17Å; L334-Q339 PolarHBondContact O-NE2 3.36Å; L334-Q342 VanDerWaalsContact CD1-NE2 3.26Å
335P73.1Confident68.4Low65 Ų6582.9 Ų82.942%0.42244%0.435SS..  trans-58.2146.8170.1-23.332.8000112.3S337 Q338 Q339P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 3.06Å; P335-S337 VanDerWaalsContact O-N 3.08Å; P335-Q338 PolarHBondContact O-N 3.46Å; P335-Q339 PolarHBondContact O-N 2.84Å
336P69.8Low70.6Confident50 Ų5076.5 Ų76.533%0.32541%0.405SS..Hα-helixtrans-54.5-35-172.3-29.335.5000115.8Q339 C340 R414 L415P336-Q339 PolarHBondContact O-N 3.01Å; P336-C340 PolarHBondContact O-N 3.02Å; P336-R414 HydrophobicContact CB-CB 4.48Å; P336-L415 HydrophobicContact CB-CD2 3.76Å; P336-L415 HydrophobicContact CB-CG 3.92Å
337S74.2Confident73.2Confident75 Ų7572.5 Ų72.552%0.52438%0.383SS..Hα-helixtrans-70.2-37.9176.958.50000112.8P335 K341P335-S337 VanDerWaalsContact C-N 3.29Å; P335-S337 PolarHBondContact O-N 3.06Å; P335-S337 VanDerWaalsContact O-N 3.08Å; S337-K341 PolarHBondContact O-N 3.23Å
338Q74.7Confident75.2Confident101 Ų10174.1 Ų74.147%0.47239%0.389SS..Hα-helixtrans-72-37.5174.7-69-175.3-2.300111.2L334 P335 K341 Q342L334-Q338 HydrophobicContact CB-CB 4.46Å; P335-Q338 PolarHBondContact O-N 3.46Å; Q338-K341 PolarHBondContact O-N 3.5Å; Q338-Q342 WeakPolarHBondContact O-CG 3.33Å; Q338-Q342 PolarHBondContact O-N 2.99Å
339Q77.1Confident77.2Confident14 Ų1475.9 Ų75.97%0.06538%0.38CS..Hα-helixtrans-55.5-51.7170.6-72.3179.8-11.200110.7F331 A332 L334 P335 P336 K341 Q342 V343 A411F331-Q339 VanDerWaalsContact O-CG 3.3Å; F331-Q339 WeakPolarHBondContact O-CG 3.42Å; F331-Q339 PolarHBondContact O-NE2 3.34Å; A332-Q339 PolarHBondContact O-NE2 2.87Å; L334-Q339 HydrophobicContact CB-CG 3.68Å; L334-Q339 WeakPolarHBondContact O-CG 3.17Å; L334-Q339 PolarHBondContact O-NE2 3.36Å; P335-Q339 PolarHBondContact O-N 2.84Å; P336-Q339 PolarHBondContact O-N 3.01Å; Q339-K341 PolarHBondContact O-N 2.91Å; Q339-Q342 PolarHBondContact O-N 3.11Å; Q339-V343 WeakPolarHBondContact O-CB 3.31Å; Q339-V343 WeakPolarHBondContact O-CG2 3.46Å; Q339-V343 PolarHBondContact O-N 3.41Å; Q339-A411 HydrophobicContact CB-CB 4.17Å
340C81.3Confident79.2Confident10 Ų1068.6 Ų68.67%0.06835%0.349CS..Hα-helixtrans-55.4-49177.5-78.80000112.2P336 Q342 V343 E344 A411 L415P336-C340 PolarHBondContact O-N 3.02Å; C340-Q342 PolarHBondContact O-N 2.96Å; C340-V343 PolarHBondContact O-N 3.47Å; C340-E344 WeakPolarHBondContact O-CB 3.48Å; C340-E344 VanDerWaalsContact O-CG 3.31Å; C340-E344 WeakPolarHBondContact O-CG 3.25Å; C340-E344 PolarHBondContact O-N 2.87Å; C340-A411 VanDerWaalsContact SG-CB 3.53Å; C340-L415 HydrophobicContact CB-CD1 4.37Å; C340-L415 VanDerWaalsContact SG-CD1 3.57Å
341K85Confident80.8Confident159 Ų15968.4 Ų68.469%0.69135%0.348SS*.Hα-helixtrans-63.8-42.8-177.8-169.1179.2-179.7-178.20112.8S337 Q338 Q339 E344 E345S337-K341 PolarHBondContact O-N 3.23Å; Q338-K341 PolarHBondContact O-N 3.5Å; Q339-K341 PolarHBondContact O-N 2.91Å; K341-E344 PolarHBondContact O-N 3.48Å; K341-E345 PolarHBondContact O-N 2.92Å
342Q84Confident82.1Confident71 Ų7172.7 Ų72.733%0.33237%0.367SS..Hα-helixtrans-69.7-39.8178.2-71-16526.900112.1F331 L334 Q338 Q339 C340 E344 E345 Q346F331-Q342 HydrophobicContact CD1-CB 4.39Å; F331-Q342 HydrophobicContact CE1-CB 4.16Å; L334-Q342 VanDerWaalsContact CD1-NE2 3.26Å; Q338-Q342 WeakPolarHBondContact O-CG 3.33Å; Q338-Q342 PolarHBondContact O-N 2.99Å; Q339-Q342 PolarHBondContact O-N 3.11Å; C340-Q342 PolarHBondContact O-N 2.96Å; Q342-E344 VanDerWaalsContact C-N 3.33Å; Q342-E345 PolarHBondContact O-N 3.04Å; Q342-Q346 WeakPolarHBondContact O-CG 3.49Å; Q342-Q346 PolarHBondContact O-N 3.37Å
343V87.8Confident83.3Confident0 Ų071.7 Ų71.70%035%0.354CS..Hα-helixtrans-64.1-40.3175.4175.40000110.5F331 Q339 C340 E345 Q346 M347 L404 L407 H408F331-V343 HydrophobicContact CD1-CG2 4.27Å; Q339-V343 WeakPolarHBondContact O-CB 3.31Å; Q339-V343 WeakPolarHBondContact O-CG2 3.46Å; Q339-V343 PolarHBondContact O-N 3.41Å; C340-V343 PolarHBondContact O-N 3.47Å; V343-E345 PolarHBondContact O-N 3.49Å; V343-Q346 PolarHBondContact O-N 2.79Å; V343-M347 HydrophobicContact CG1-CG 4.39Å; V343-M347 HydrophobicContact CG1-SD 4.17Å; V343-M347 WeakPolarHBondContact O-CB 3.43Å; V343-M347 VanDerWaalsContact O-CG 3.23Å; V343-M347 WeakPolarHBondContact O-CG 3.32Å; V343-M347 PolarHBondContact O-N 3.12Å; V343-L404 HydrophobicContact CG1-CB 4.02Å; V343-L404 HydrophobicContact CG1-CD2 4.02Å; V343-L404 WeakPolarHBondContact CG1-O 3.36Å; V343-L407 HydrophobicContact CG2-CD2 3.71Å; V343-L407 HydrophobicContact CG2-CG 4.07Å; V343-H408 HydrophobicContact CG1-CB 3.7Å
344E88.5Confident84.5Confident101 Ų10166.1 Ų66.147%0.47232%0.324SS..Hα-helixtrans-60.9-41.9172.9-78.9171.3-165.900112.7C340 K341 Q342 M347 F348 H408C340-E344 WeakPolarHBondContact O-CB 3.48Å; C340-E344 VanDerWaalsContact O-CG 3.31Å; C340-E344 WeakPolarHBondContact O-CG 3.25Å; C340-E344 PolarHBondContact O-N 2.87Å; K341-E344 PolarHBondContact O-N 3.48Å; Q342-E344 VanDerWaalsContact C-N 3.33Å; E344-M347 WeakPolarHBondContact O-CB 3.34Å; E344-M347 PolarHBondContact O-N 3.04Å; E344-F348 WeakPolarHBondContact O-CB 3.45Å; E344-F348 PolarHBondContact O-N 3.45Å; E344-H408 WeakPolarHBondContact CG-NE2 3.49Å; E344-H408 IonicContact OE1-CD2 3.76Å; E344-H408 IonicContact OE1-CE1 3.51Å; E344-H408 IonicContact OE1-NE2 2.77Å; E344-H408 PolarHBondContact OE1-NE2 3.26Å
345E87.8Confident85.5Confident98 Ų9868.9 Ų68.946%0.45834%0.336SS..Hα-helixtrans-64.2-43.1175.9-171.2-176.6168.900111.4K341 Q342 V343 M347 F348 R349K341-E345 PolarHBondContact O-N 2.92Å; Q342-E345 PolarHBondContact O-N 3.04Å; V343-E345 PolarHBondContact O-N 3.49Å; E345-M347 VanDerWaalsContact C-N 3.33Å; E345-F348 PolarHBondContact O-N 3.43Å; E345-R349 WeakPolarHBondContact O-CG 3.45Å; E345-R349 PolarHBondContact O-N 3.32Å; E345-R349 IonicContact OE1-CZ 2.73Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 3.3Å; E345-R349 IonicContact OE1-NH2 3.42Å; E345-R349 PolarHBondContact OE1-NH2 2.9Å
346Q88.3Confident86.4Confident51 Ų5172.5 Ų72.524%0.23834%0.341CS..Hα-helixtrans-66.6-36.2176-66.8-66.91.200111.8F331 Q342 V343 R349 C350 L404F331-Q346 HydrophobicContact CZ-CG 4.29Å; Q342-Q346 WeakPolarHBondContact O-CG 3.49Å; Q342-Q346 PolarHBondContact O-N 3.37Å; V343-Q346 PolarHBondContact O-N 2.79Å; Q346-R349 PolarHBondContact O-N 2.91Å; Q346-C350 WeakPolarHBondContact O-CB 3.46Å; Q346-C350 PolarHBondContact O-N 3.2Å; Q346-C350 PolarHBondContact O-SG 3.16Å; Q346-C350 VanDerWaalsContact O-SG 3.39Å; Q346-L404 HydrophobicContact CB-CD1 3.78Å; Q346-L404 HydrophobicContact CB-CD2 4.05Å
347M90.1Very high87.5Confident35 Ų3570.2 Ų70.217%0.17233%0.326CS..Hα-helixtrans-61-48.2170.9-75.5175.955.400110.1V343 E344 E345 R349 C350 E351 M401 L404 K405 H408V343-M347 HydrophobicContact CG1-CG 4.39Å; V343-M347 HydrophobicContact CG1-SD 4.17Å; V343-M347 WeakPolarHBondContact O-CB 3.43Å; V343-M347 VanDerWaalsContact O-CG 3.23Å; V343-M347 WeakPolarHBondContact O-CG 3.32Å; V343-M347 PolarHBondContact O-N 3.12Å; E344-M347 WeakPolarHBondContact O-CB 3.34Å; E344-M347 PolarHBondContact O-N 3.04Å; E345-M347 VanDerWaalsContact C-N 3.33Å; M347-R349 VanDerWaalsContact C-N 3.29Å; M347-R349 PolarHBondContact O-N 3.04Å; M347-C350 CarbonylContact O-C 3.49Å; M347-C350 PolarHBondContact O-N 2.95Å; M347-C350 VanDerWaalsContact O-N 3.12Å; M347-E351 WeakPolarHBondContact O-CB 3.47Å; M347-E351 PolarHBondContact O-N 3Å; M347-M401 HydrophobicContact CB-SD 4.07Å; M347-M401 HydrophobicContact CE-SD 4.26Å; M347-M401 HydrophobicContact CG-SD 4.05Å; M347-M401 WeakPolarHBondContact O-CE 3.27Å; M347-L404 HydrophobicContact CG-CB 3.54Å; M347-L404 HydrophobicContact CG-CD1 4.16Å; M347-L404 HydrophobicContact CG-CG 4.46Å; M347-L404 HydrophobicContact SD-CB 4.34Å; M347-K405 HydrophobicContact CE-CD 4.42Å; M347-K405 HydrophobicContact CE-CG 3.52Å; M347-K405 HydrophobicContact SD-CG 4.13Å; M347-H408 HydrophobicContact SD-CB 4.05Å
348F91.6Very high88.4Confident119 Ų11971.3 Ų71.352%0.52232%0.323SS..Hα-helixtrans-59.3-39.9177.4-179.9-101.1000112.3E344 E345 E351 K352E344-F348 WeakPolarHBondContact O-CB 3.45Å; E344-F348 PolarHBondContact O-N 3.45Å; E345-F348 PolarHBondContact O-N 3.43Å; F348-E351 PolarHBondContact O-N 3.49Å; F348-K352 HydrophobicContact CD1-CG 4.42Å; F348-K352 HydrophobicContact CE1-CG 4.01Å; F348-K352 HydrophobicContact CZ-CD 4.45Å; F348-K352 HydrophobicContact CZ-CG 4.06Å; F348-K352 WeakPolarHBondContact O-CB 3.21Å; F348-K352 WeakPolarHBondContact O-CG 3.38Å; F348-K352 PolarHBondContact O-N 3.08Å
349R88.9Confident89.3Confident111 Ų11169.7 Ų69.742%0.41933%0.326SS..Hα-helixtrans-65.3-41.8174.3-70.7175.6-177.3-170.54.7112.3E345 Q346 M347 T353E345-R349 WeakPolarHBondContact O-CG 3.45Å; E345-R349 PolarHBondContact O-N 3.32Å; E345-R349 IonicContact OE1-CZ 2.73Å; E345-R349 IonicContact OE1-NE 2.75Å; E345-R349 PolarHBondContact OE1-NE 3.3Å; E345-R349 IonicContact OE1-NH2 3.42Å; E345-R349 PolarHBondContact OE1-NH2 2.9Å; Q346-R349 PolarHBondContact O-N 2.91Å; M347-R349 VanDerWaalsContact C-N 3.29Å; M347-R349 PolarHBondContact O-N 3.04Å; R349-T353 WeakPolarHBondContact O-CB 3.34Å; R349-T353 PolarHBondContact O-N 3.12Å; R349-T353 PolarHBondContact O-OG1 3.23Å
350C90.8Very high90.1Very high5 Ų573.5 Ų73.53%0.03434%0.344CS..Hα-helixtrans-64.3-40.8173.9-74.60000111.2Q346 M347 T353 I354 M401Q346-C350 WeakPolarHBondContact O-CB 3.46Å; Q346-C350 PolarHBondContact O-N 3.2Å; Q346-C350 PolarHBondContact O-SG 3.16Å; Q346-C350 VanDerWaalsContact O-SG 3.39Å; M347-C350 CarbonylContact O-C 3.49Å; M347-C350 PolarHBondContact O-N 2.95Å; M347-C350 VanDerWaalsContact O-N 3.12Å; C350-T353 WeakPolarHBondContact O-CB 3.32Å; C350-T353 PolarHBondContact O-N 3.29Å; C350-T353 VanDerWaalsContact O-N 3.15Å; C350-I354 VanDerWaalsContact O-CG1 3.3Å; C350-I354 WeakPolarHBondContact O-CG1 3.35Å; C350-I354 PolarHBondContact O-N 3.24Å; C350-M401 HydrophobicContact CB-CE 3.56Å
351E91.9Very high90.7Very high100 Ų10075.3 Ų75.347%0.46735%0.351SS..Hα-helixtrans-64.1-46.1178.4-169.2156.9-126.500111.1M347 F348 T353 I354 E355 M401M347-E351 WeakPolarHBondContact O-CB 3.47Å; M347-E351 PolarHBondContact O-N 3Å; F348-E351 PolarHBondContact O-N 3.49Å; E351-T353 PolarHBondContact O-N 3.02Å; E351-I354 PolarHBondContact O-N 3.45Å; E351-E355 WeakPolarHBondContact O-CG 3.48Å; E351-E355 PolarHBondContact O-N 3.11Å; E351-M401 HydrophobicContact CB-CE 3.7Å
352K93.5Very high91.1Very high100 Ų10072.4 Ų72.444%0.43534%0.34SS..Hα-helixtrans-57.4-38.2172.1-79.5-79.2161-132.40112.7F348 E355 R356F348-K352 HydrophobicContact CD1-CG 4.42Å; F348-K352 HydrophobicContact CE1-CG 4.01Å; F348-K352 HydrophobicContact CZ-CD 4.45Å; F348-K352 HydrophobicContact CZ-CG 4.06Å; F348-K352 WeakPolarHBondContact O-CB 3.21Å; F348-K352 WeakPolarHBondContact O-CG 3.38Å; F348-K352 PolarHBondContact O-N 3.08Å; K352-E355 IonicContact NZ-OE2 2.67Å; K352-E355 PolarHBondContact NZ-OE2 2.97Å; K352-R356 WeakPolarHBondContact O-CB 3.48Å; K352-R356 PolarHBondContact O-N 3.3Å
353T90.5Very high91.5Very high45 Ų4570.6 Ų70.628%0.27634%0.34SS..Hα-helixtrans-69.3-43.7177.5-58.90000110.7R349 C350 E351 R356 T357R349-T353 WeakPolarHBondContact O-CB 3.34Å; R349-T353 PolarHBondContact O-N 3.12Å; R349-T353 PolarHBondContact O-OG1 3.23Å; C350-T353 WeakPolarHBondContact O-CB 3.32Å; C350-T353 PolarHBondContact O-N 3.29Å; C350-T353 VanDerWaalsContact O-N 3.15Å; E351-T353 PolarHBondContact O-N 3.02Å; T353-R356 PolarHBondContact O-N 3.3Å; T353-T357 WeakPolarHBondContact O-CB 3.38Å; T353-T357 PolarHBondContact O-N 2.81Å; T353-T357 PolarHBondContact O-OG1 3.41Å; T353-T357 VanDerWaalsContact O-OG1 3.06Å
354I93.2Very high91.7Very high34 Ų3471 Ų7117%0.17434%0.342CS..Hα-helixtrans-60.4-48.3174.3-69165.8000110.5C350 E351 R356 T357 Q358 L394 A397 M401C350-I354 VanDerWaalsContact O-CG1 3.3Å; C350-I354 WeakPolarHBondContact O-CG1 3.35Å; C350-I354 PolarHBondContact O-N 3.24Å; E351-I354 PolarHBondContact O-N 3.45Å; I354-R356 VanDerWaalsContact C-N 3.33Å; I354-R356 PolarHBondContact O-N 3.25Å; I354-T357 PolarHBondContact O-N 2.97Å; I354-Q358 WeakPolarHBondContact O-CB 2.97Å; I354-Q358 PolarHBondContact O-N 3.45Å; I354-L394 HydrophobicContact CB-CD2 4.34Å; I354-L394 HydrophobicContact CG1-CD2 4.48Å; I354-L394 HydrophobicContact CG2-CD2 3.91Å; I354-A397 HydrophobicContact CD1-CB 4.38Å; I354-A397 HydrophobicContact CG1-CB 3.76Å; I354-M401 HydrophobicContact CD1-CB 4.17Å; I354-M401 HydrophobicContact CD1-CE 4Å; I354-M401 HydrophobicContact CD1-CG 4.48Å
355E93.1Very high92Very high103 Ų10369.5 Ų69.548%0.48134%0.337SS..Hα-helixtrans-55.3-47.8176.3-75.3179.5166.100111.6E351 K352 A359E351-E355 WeakPolarHBondContact O-CG 3.48Å; E351-E355 PolarHBondContact O-N 3.11Å; K352-E355 IonicContact NZ-OE2 2.67Å; K352-E355 PolarHBondContact NZ-OE2 2.97Å; E355-A359 WeakPolarHBondContact O-CB 3.39Å; E355-A359 PolarHBondContact O-N 2.91Å
356R92.9Very high92.1Very high141 Ų14172 Ų7253%0.53235%0.346SS..Hα-helixtrans-64-53.1179.9-178.9-173.665.6-171.2-1.8111.6K352 T353 I354 Q358 A359 E360K352-R356 WeakPolarHBondContact O-CB 3.48Å; K352-R356 PolarHBondContact O-N 3.3Å; T353-R356 PolarHBondContact O-N 3.3Å; I354-R356 VanDerWaalsContact C-N 3.33Å; I354-R356 PolarHBondContact O-N 3.25Å; R356-Q358 VanDerWaalsContact C-N 3.27Å; R356-Q358 PolarHBondContact O-N 2.67Å; R356-A359 PolarHBondContact O-N 3.15Å; R356-E360 PolarHBondContact O-N 3.44Å
357T91.9Very high92.2Very high1 Ų173.1 Ų73.11%0.00635%0.353CS..Hα-helixtrans-67.6-30.5-177.7-54.50000111T353 I354 K361 C390 E393 L394T353-T357 WeakPolarHBondContact O-CB 3.38Å; T353-T357 PolarHBondContact O-N 2.81Å; T353-T357 PolarHBondContact O-OG1 3.41Å; T353-T357 VanDerWaalsContact O-OG1 3.06Å; I354-T357 PolarHBondContact O-N 2.97Å; T357-K361 VanDerWaalsContact O-CB 3.3Å; T357-K361 WeakPolarHBondContact O-CB 3.37Å; T357-K361 PolarHBondContact O-N 3.3Å; T357-C390 HydrophobicContact CG2-CB 3.86Å; T357-C390 WeakPolarHBondContact CG2-O 3.44Å; T357-E393 HydrophobicContact CG2-CB 3.94Å; T357-L394 HydrophobicContact CG2-CD1 4.34Å; T357-L394 HydrophobicContact CG2-CD2 4.4Å; T357-L394 HydrophobicContact CG2-CG 3.79Å
358Q94Very high92.2Very high99 Ų9975.7 Ų75.746%0.46336%0.363SS..Hα-helixtrans-70.8-39.8173.3-171.5162.2-18.500112I354 R356 K361 Q362 L394I354-Q358 WeakPolarHBondContact O-CB 2.97Å; I354-Q358 PolarHBondContact O-N 3.45Å; R356-Q358 VanDerWaalsContact C-N 3.27Å; R356-Q358 PolarHBondContact O-N 2.67Å; Q358-K361 PolarHBondContact O-N 2.86Å; Q358-Q362 VanDerWaalsContact O-CG 3.28Å; Q358-Q362 WeakPolarHBondContact O-CG 3.39Å; Q358-Q362 PolarHBondContact O-N 3.27Å; Q358-L394 HydrophobicContact CB-CD2 4.27Å
359A93.6Very high92Very high66 Ų6672 Ų7255%0.54536%0.359SS..Hα-helixtrans-63.2-42.3172.400000111.8E355 R356 Q362 G363E355-A359 WeakPolarHBondContact O-CB 3.39Å; E355-A359 PolarHBondContact O-N 2.91Å; R356-A359 PolarHBondContact O-N 3.15Å; A359-Q362 PolarHBondContact O-N 3.44Å; A359-G363 PolarHBondContact O-N 2.97Å
360E93.1Very high92Very high95 Ų9571.5 Ų71.544%0.44436%0.364SS..Hα-helixtrans-61-47.8173.8-173.1175.2-175.900111.3R356 Q362 G363 L364R356-E360 PolarHBondContact O-N 3.44Å; E360-Q362 VanDerWaalsContact C-N 3.32Å; E360-Q362 PolarHBondContact O-N 3.23Å; E360-G363 WeakPolarHBondContact O-CA 3.4Å; E360-G363 PolarHBondContact O-N 3.5Å; E360-G363 VanDerWaalsContact O-N 3.07Å; E360-L364 HydrophobicContact CG-CD1 4.16Å; E360-L364 WeakPolarHBondContact O-CG 3.42Å; E360-L364 PolarHBondContact O-N 3.37Å
361K94.6Very high92Very high47 Ų4774.1 Ų74.120%0.20437%0.374CS..Hα-helixtrans-55.1-44.9174.6-177.6176.9-177.5171.20112.2T357 Q358 G363 L364 L365 L387 C390 E391 L394T357-K361 VanDerWaalsContact O-CB 3.3Å; T357-K361 WeakPolarHBondContact O-CB 3.37Å; T357-K361 PolarHBondContact O-N 3.3Å; Q358-K361 PolarHBondContact O-N 2.86Å; K361-G363 VanDerWaalsContact C-N 3.34Å; K361-L364 PolarHBondContact O-N 2.86Å; K361-L365 HydrophobicContact CG-CD1 4.35Å; K361-L365 WeakPolarHBondContact O-CG 3.46Å; K361-L365 PolarHBondContact O-N 2.93Å; K361-L387 HydrophobicContact CG-CD1 3.74Å; K361-C390 HydrophobicContact CB-CB 4.25Å; K361-E391 HydrophobicContact CD-CG 4.27Å; K361-E391 VanDerWaalsContact CE-OE1 3.29Å; K361-E391 WeakPolarHBondContact CE-OE1 3.38Å; K361-E391 VanDerWaalsContact NZ-CG 3.29Å; K361-E391 IonicContact NZ-OE1 2.67Å; K361-E391 PolarHBondContact NZ-OE1 3.02Å; K361-L394 HydrophobicContact CB-CD1 4.46Å; K361-L394 HydrophobicContact CD-CD1 3.81Å
362Q92.4Very high91.7Very high99 Ų9972.8 Ų72.846%0.46338%0.379SS..Hα-helixtrans-65.4-37.5177.6-69.6-64.1-24.700112.1Q358 A359 E360 K366Q358-Q362 VanDerWaalsContact O-CG 3.28Å; Q358-Q362 WeakPolarHBondContact O-CG 3.39Å; Q358-Q362 PolarHBondContact O-N 3.27Å; A359-Q362 PolarHBondContact O-N 3.44Å; E360-Q362 VanDerWaalsContact C-N 3.32Å; E360-Q362 PolarHBondContact O-N 3.23Å; Q362-K366 WeakPolarHBondContact O-CG 3.33Å; Q362-K366 PolarHBondContact O-N 2.85Å
363G93.2Very high91.5Very high33 Ų3371.4 Ų71.434%0.3439%0.387SS..Hα-helixtrans-61.2-47.3171.900000112.1A359 E360 K361 L365 K366 M367A359-G363 PolarHBondContact O-N 2.97Å; E360-G363 WeakPolarHBondContact O-CA 3.4Å; E360-G363 PolarHBondContact O-N 3.5Å; E360-G363 VanDerWaalsContact O-N 3.07Å; K361-G363 VanDerWaalsContact C-N 3.34Å; G363-L365 PolarHBondContact O-N 3.34Å; G363-K366 WeakPolarHBondContact O-CB 3.37Å; G363-K366 PolarHBondContact O-N 3.37Å; G363-M367 PolarHBondContact O-N 2.88Å
364L93Very high91.5Very high8 Ų872.3 Ų72.34%0.04239%0.39CS..Hα-helixtrans-63.2-40177.8-68169.5000112.2E360 K361 K366 M367 K368 V383 Q386 L387 C390E360-L364 HydrophobicContact CG-CD1 4.16Å; E360-L364 WeakPolarHBondContact O-CG 3.42Å; E360-L364 PolarHBondContact O-N 3.37Å; K361-L364 PolarHBondContact O-N 2.86Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.34Å; L364-M367 HydrophobicContact CD2-CE 3.66Å; L364-M367 PolarHBondContact O-N 3.07Å; L364-K368 WeakPolarHBondContact O-CB 3.37Å; L364-K368 PolarHBondContact O-N 3.26Å; L364-V383 HydrophobicContact CB-CG1 3.92Å; L364-V383 HydrophobicContact CD2-CG1 3.93Å; L364-V383 WeakPolarHBondContact O-CG1 3.25Å; L364-Q386 HydrophobicContact CD1-CB 3.82Å; L364-Q386 HydrophobicContact CD2-CB 3.94Å; L364-L387 HydrophobicContact CB-CD1 3.99Å; L364-C390 VanDerWaalsContact CD1-SG 3.56Å
365L92.9Very high91Very high69 Ų6976 Ų7636%0.36142%0.416SS..Hα-helixtrans-61.7-39.4175-75.4171.2000112.4K361 G363 K368 G369 L387K361-L365 HydrophobicContact CG-CD1 4.35Å; K361-L365 WeakPolarHBondContact O-CG 3.46Å; K361-L365 PolarHBondContact O-N 2.93Å; G363-L365 PolarHBondContact O-N 3.34Å; L365-K368 PolarHBondContact O-N 3.44Å; L365-G369 PolarHBondContact O-N 2.75Å; L365-G369 VanDerWaalsContact O-N 3.1Å; L365-L387 HydrophobicContact CD2-CD1 3.99Å; L365-L387 HydrophobicContact CD2-CD2 3.9Å; L365-L387 HydrophobicContact CG-CD1 3.91Å
366K91.5Very high90.7Very high150 Ų15076.1 Ų76.165%0.65243%0.428SS*.Hα-helixtrans-64.9-44.1173.8-70.7175.2-178178.40111.5Q362 G363 L364 G369 L370Q362-K366 WeakPolarHBondContact O-CG 3.33Å; Q362-K366 PolarHBondContact O-N 2.85Å; G363-K366 WeakPolarHBondContact O-CB 3.37Å; G363-K366 PolarHBondContact O-N 3.37Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.34Å; K366-G369 PolarHBondContact O-N 3.28Å; K366-L370 WeakPolarHBondContact O-CG 3.27Å; K366-L370 PolarHBondContact O-N 3.01Å
367M89.4Confident90.2Very high76 Ų7676.6 Ų76.637%0.37443%0.431SS..Hα-helixtrans-62.5-41.9176.5-69-155.1-62.800112.1G363 L364 G369 L370 Y371 V383G363-M367 PolarHBondContact O-N 2.88Å; L364-M367 HydrophobicContact CD2-CE 3.66Å; L364-M367 PolarHBondContact O-N 3.07Å; M367-G369 VanDerWaalsContact C-N 3.3Å; M367-G369 PolarHBondContact O-N 3.06Å; M367-L370 PolarHBondContact O-N 2.96Å; M367-L370 VanDerWaalsContact O-N 3.15Å; M367-Y371 PolarHBondContact O-N 2.86Å; M367-V383 HydrophobicContact CB-CG2 4.45Å
368K89.7Confident89.8Confident88 Ų8877.8 Ų77.838%0.38344%0.444SS..Hα-helixtrans-57.9-42.6174.4-173.1-178.8179.41790111.9L364 L365 A372 P380 V383L364-K368 WeakPolarHBondContact O-CB 3.37Å; L364-K368 PolarHBondContact O-N 3.26Å; L365-K368 PolarHBondContact O-N 3.44Å; K368-A372 WeakPolarHBondContact O-CB 3.48Å; K368-A372 PolarHBondContact O-N 3.15Å; K368-P380 HydrophobicContact CG-CB 4.47Å; K368-V383 HydrophobicContact CB-CG1 4.13Å
369G88.1Confident89.3Confident43 Ų4377.5 Ų77.544%0.44345%0.445SS..Hα-helixtrans-64-40.7175.100000113.3L365 K366 M367 A372 A373L365-G369 PolarHBondContact O-N 2.75Å; L365-G369 VanDerWaalsContact O-N 3.1Å; K366-G369 PolarHBondContact O-N 3.28Å; M367-G369 VanDerWaalsContact C-N 3.3Å; M367-G369 PolarHBondContact O-N 3.06Å; G369-A372 PolarHBondContact O-N 3.07Å; G369-A373 WeakPolarHBondContact O-CB 3.05Å; G369-A373 PolarHBondContact O-N 3.08Å
370L89Confident88.8Confident99 Ų9976.3 Ų76.352%0.51843%0.432SS..Hα-helixtrans-66.4-41.4177.7-71.5172.9000112.6K366 M367 A373 N374K366-L370 WeakPolarHBondContact O-CG 3.27Å; K366-L370 PolarHBondContact O-N 3.01Å; M367-L370 PolarHBondContact O-N 2.96Å; M367-L370 VanDerWaalsContact O-N 3.15Å; L370-A373 PolarHBondContact O-N 2.9Å; L370-N374 PolarHBondContact O-N 2.8Å; L370-N374 PolarHBondContact O-ND2 3Å
371Y90.6Very high88.4Confident61 Ų6176.8 Ų76.824%0.23944%0.441CS..Hα-helixtrans-67.9-36.6175.6-68.4-12000112.3M367 N374 Y377 G378 V383M367-Y371 PolarHBondContact O-N 2.86Å; Y371-N374 CarbonylContact O-C 3.46Å; Y371-Y377 VanDerWaalsContact CE1-C 3.47Å; Y371-Y377 WeakPolarHBondContact CE1-O 3.45Å; Y371-G378 WeakPolarHBondContact CB-O 3.38Å; Y371-V383 HydrophobicContact CD2-CG2 3.67Å; Y371-V383 HydrophobicContact CE2-CG2 3.52Å
372A86.6Confident87.8Confident71 Ų7179.3 Ų79.359%0.58746%0.46SS*.Hα-helixtrans-67.4-36.8174.500000112.7K368 G369K368-A372 WeakPolarHBondContact O-CB 3.48Å; K368-A372 PolarHBondContact O-N 3.15Å; G369-A372 PolarHBondContact O-N 3.07Å
373A88.7Confident87.6Confident72 Ų7274.8 Ų74.860%0.59544%0.439SS*.Hα-helixtrans-77.5-31177.800000113.1G369 L370G369-A373 WeakPolarHBondContact O-CB 3.05Å; G369-A373 PolarHBondContact O-N 3.08Å; L370-A373 PolarHBondContact O-N 2.9Å
374N89.3Confident87.3Confident63 Ų6375.1 Ų75.134%0.33744%0.439SS..  trans-133.590-175.2-58-80.5000110.3L370 Y371 S376 Y377L370-N374 PolarHBondContact O-N 2.8Å; L370-N374 PolarHBondContact O-ND2 3Å; Y371-N374 CarbonylContact O-C 3.46Å; N374-S376 PolarHBondContact O-N 3.34Å; N374-Y377 HydrophobicContact CB-CD2 3.38Å; N374-Y377 HydrophobicContact CB-CE2 3.66Å; N374-Y377 HydrophobicContact CB-CG 4.06Å; N374-Y377 PolarHBondContact O-N 3.4Å
375P83.3Confident87Confident112 Ų11276.6 Ų76.673%0.72746%0.456SS*.G310 helixtrans-58.7-19.4-177.3-26.935.3000115Y377P375-Y377 VanDerWaalsContact C-N 3.29Å; P375-Y377 PolarHBondContact O-N 3.3Å
376S87Confident86.8Confident105 Ų10576.9 Ų76.973%0.73446%0.456SS*.G310 helixtrans-71.7-19.1176.455.90000114.1N374N374-S376 PolarHBondContact O-N 3.34Å
377Y81.8Confident86.9Confident152 Ų15270.5 Ų70.560%0.59643%0.428SS*.G310 helixtrans-86.9-14.7-176.3-66.4-26.4000114.1Y371 N374 P375Y371-Y377 VanDerWaalsContact CE1-C 3.47Å; Y371-Y377 WeakPolarHBondContact CE1-O 3.45Å; N374-Y377 HydrophobicContact CB-CD2 3.38Å; N374-Y377 HydrophobicContact CB-CE2 3.66Å; N374-Y377 HydrophobicContact CB-CG 4.06Å; N374-Y377 PolarHBondContact O-N 3.4Å; P375-Y377 VanDerWaalsContact C-N 3.29Å; P375-Y377 PolarHBondContact O-N 3.3Å
378G84.8Confident87Confident26 Ų2672.5 Ų72.527%0.26844%0.437SS..  trans150.3169.3177.800000112.8Y371Y371-G378 WeakPolarHBondContact CB-O 3.38Å
379D82.8Confident87Confident93 Ų9375.4 Ų75.450%0.49745%0.445SS..  trans-86.9122.7176.4-173.9-15.1000110.6V381 V382D379-V381 PolarHBondContact O-N 3.36Å; D379-V381 VanDerWaalsContact O-N 3.11Å; D379-V381 WeakPolarHBondContact OD1-CB 3.29Å; D379-V381 VanDerWaalsContact OD1-CG2 3.3Å; D379-V381 WeakPolarHBondContact OD1-CG2 3.45Å; D379-V381 PolarHBondContact OD1-N 3.09Å; D379-V382 HydrophobicContact CB-CG2 4.35Å; D379-V382 PolarHBondContact O-N 2.67Å
380P82.8Confident87.2Confident41 Ų4173.5 Ų73.527%0.26643%0.425SS..Hα-helixtrans-54.1-24.5173.7-23.732.2000115K368 V382 V383 A384K368-P380 HydrophobicContact CG-CB 4.47Å; P380-V382 VanDerWaalsContact C-N 3.3Å; P380-V382 PolarHBondContact O-N 2.92Å; P380-V383 PolarHBondContact O-N 3.28Å; P380-A384 PolarHBondContact O-N 3.29Å
381V84.7Confident87.4Confident104 Ų10472 Ų7263%0.6342%0.415SS*.Hα-helixtrans-64.4-33.8-179.8177.30000111.7D379 V383 A384D379-V381 PolarHBondContact O-N 3.36Å; D379-V381 VanDerWaalsContact O-N 3.11Å; D379-V381 WeakPolarHBondContact OD1-CB 3.29Å; D379-V381 VanDerWaalsContact OD1-CG2 3.3Å; D379-V381 WeakPolarHBondContact OD1-CG2 3.45Å; D379-V381 PolarHBondContact OD1-N 3.09Å; V381-V383 VanDerWaalsContact C-N 3.31Å; V381-V383 PolarHBondContact O-N 2.97Å; V381-A384 VanDerWaalsContact O-CB 3.31Å; V381-A384 WeakPolarHBondContact O-CB 3.38Å; V381-A384 PolarHBondContact O-N 3.46Å; V381-A384 VanDerWaalsContact O-N 3.13Å
382V83.1Confident87.6Confident101 Ų10172.5 Ų72.561%0.61242%0.422SS*.Hα-helixtrans-64-38.8179.2179.70000111.3D379 P380 A384D379-V382 HydrophobicContact CB-CG2 4.35Å; D379-V382 PolarHBondContact O-N 2.67Å; P380-V382 VanDerWaalsContact C-N 3.3Å; P380-V382 PolarHBondContact O-N 2.92Å; V382-A384 VanDerWaalsContact C-N 3.31Å
383V87.5Confident87.8Confident3 Ų372.9 Ų72.92%0.01841%0.412CS..Hα-helixtrans-72.9-26.6178.1-177.30000111.2L364 M367 K368 Y371 P380 V381 G385 Q386 L387L364-V383 HydrophobicContact CB-CG1 3.92Å; L364-V383 HydrophobicContact CD2-CG1 3.93Å; L364-V383 WeakPolarHBondContact O-CG1 3.25Å; M367-V383 HydrophobicContact CB-CG2 4.45Å; K368-V383 HydrophobicContact CB-CG1 4.13Å; Y371-V383 HydrophobicContact CD2-CG2 3.67Å; Y371-V383 HydrophobicContact CE2-CG2 3.52Å; P380-V383 PolarHBondContact O-N 3.28Å; V381-V383 VanDerWaalsContact C-N 3.31Å; V381-V383 PolarHBondContact O-N 2.97Å; V383-G385 PolarHBondContact O-N 2.88Å; V383-Q386 PolarHBondContact O-N 3.47Å; V383-L387 WeakPolarHBondContact O-CB 3.31Å; V383-L387 PolarHBondContact O-N 3.36Å
384A86.2Confident88Confident40 Ų4070.7 Ų70.733%0.33139%0.39SS..Hα-helixtrans-61.4-42.7-178.400000112.5P380 V381 V382 Q386 L387 E388P380-A384 PolarHBondContact O-N 3.29Å; V381-A384 VanDerWaalsContact O-CB 3.31Å; V381-A384 WeakPolarHBondContact O-CB 3.38Å; V381-A384 PolarHBondContact O-N 3.46Å; V381-A384 VanDerWaalsContact O-N 3.13Å; V382-A384 VanDerWaalsContact C-N 3.31Å; A384-Q386 PolarHBondContact O-N 2.9Å; A384-L387 WeakPolarHBondContact O-CB 3.32Å; A384-L387 PolarHBondContact O-N 3.04Å; A384-E388 PolarHBondContact O-N 3.48Å
385G88.1Confident88.2Confident39 Ų3973.8 Ų73.840%0.40240%0.401SS..Hα-helixtrans-67.7-33.7177.700000113.5V383 R389V383-G385 PolarHBondContact O-N 2.88Å; G385-R389 PolarHBondContact O-N 3.44Å; G385-R389 VanDerWaalsContact O-N 3.08Å
386Q89.1Confident88.6Confident76 Ų7672.4 Ų72.436%0.35539%0.39SS..Hα-helixtrans-69.3-40172.7-67.1179.2-27.200111.2L364 V383 A384 R389 C390L364-Q386 HydrophobicContact CD1-CB 3.82Å; L364-Q386 HydrophobicContact CD2-CB 3.94Å; V383-Q386 PolarHBondContact O-N 3.47Å; A384-Q386 PolarHBondContact O-N 2.9Å; Q386-R389 WeakPolarHBondContact O-CB 3.29Å; Q386-R389 PolarHBondContact O-N 2.88Å; Q386-C390 PolarHBondContact O-N 3.01Å; Q386-C390 PolarHBondContact O-SG 2.82Å; Q386-C390 VanDerWaalsContact O-SG 3.39Å
387L91.7Very high88.7Confident15 Ų1567.9 Ų67.98%0.07936%0.359CS..Hα-helixtrans-63.4-43.3177-166.174.7000111.4K361 L364 L365 V383 A384 C390 E391K361-L387 HydrophobicContact CG-CD1 3.74Å; L364-L387 HydrophobicContact CB-CD1 3.99Å; L365-L387 HydrophobicContact CD2-CD1 3.99Å; L365-L387 HydrophobicContact CD2-CD2 3.9Å; L365-L387 HydrophobicContact CG-CD1 3.91Å; V383-L387 WeakPolarHBondContact O-CB 3.31Å; V383-L387 PolarHBondContact O-N 3.36Å; A384-L387 WeakPolarHBondContact O-CB 3.32Å; A384-L387 PolarHBondContact O-N 3.04Å; L387-C390 PolarHBondContact O-N 3.18Å; L387-E391 WeakPolarHBondContact O-CB 3.49Å; L387-E391 WeakPolarHBondContact O-CG 3.25Å; L387-E391 PolarHBondContact O-N 3.31Å
388E91.5Very high89.1Confident118 Ų11862.7 Ų62.755%0.55135%0.347SS*.Hα-helixtrans-62.7-41.1175.2-174.7177.9-169.500111.7A384 E391 N392A384-E388 PolarHBondContact O-N 3.48Å; E388-E391 PolarHBondContact O-N 3.21Å; E388-N392 PolarHBondContact O-N 3.43Å; E388-N392 PolarHBondContact O-ND2 2.86Å
389R91.3Very high89.4Confident150 Ų15064.7 Ų64.757%0.56636%0.357SS*.Hα-helixtrans-60.1-49.9173.2-171.9-170.4-57.2158.61.8111.5G385 Q386 E391 N392 E393G385-R389 PolarHBondContact O-N 3.44Å; G385-R389 VanDerWaalsContact O-N 3.08Å; Q386-R389 WeakPolarHBondContact O-CB 3.29Å; Q386-R389 PolarHBondContact O-N 2.88Å; R389-E391 PolarHBondContact O-N 3.3Å; R389-N392 PolarHBondContact O-N 3.48Å; R389-E393 WeakPolarHBondContact O-CB 3.49Å; R389-E393 WeakPolarHBondContact O-CG 3.24Å; R389-E393 PolarHBondContact O-N 3.4Å
390C92.6Very high89.8Confident2 Ų262 Ų621%0.01434%0.342CS..Hα-helixtrans-60.1-36.4176.5-69.50000111.8T357 K361 L364 Q386 L387 L394T357-C390 HydrophobicContact CG2-CB 3.86Å; T357-C390 WeakPolarHBondContact CG2-O 3.44Å; K361-C390 HydrophobicContact CB-CB 4.25Å; L364-C390 VanDerWaalsContact CD1-SG 3.56Å; Q386-C390 PolarHBondContact O-N 3.01Å; Q386-C390 PolarHBondContact O-SG 2.82Å; Q386-C390 VanDerWaalsContact O-SG 3.39Å; L387-C390 PolarHBondContact O-N 3.18Å; C390-L394 VanDerWaalsContact O-CB 3.31Å; C390-L394 WeakPolarHBondContact O-CB 3.28Å; C390-L394 VanDerWaalsContact O-CG 3.28Å; C390-L394 WeakPolarHBondContact O-CG 3.22Å; C390-L394 PolarHBondContact O-N 2.93Å
391E93.2Very high90.2Very high67 Ų6760.7 Ų60.731%0.31333%0.332SS..Hα-helixtrans-67.2-41.7175.6-77.7-177169.300112.9K361 L387 E388 R389 L394 K395K361-E391 HydrophobicContact CD-CG 4.27Å; K361-E391 VanDerWaalsContact CE-OE1 3.29Å; K361-E391 WeakPolarHBondContact CE-OE1 3.38Å; K361-E391 VanDerWaalsContact NZ-CG 3.29Å; K361-E391 IonicContact NZ-OE1 2.67Å; K361-E391 PolarHBondContact NZ-OE1 3.02Å; L387-E391 WeakPolarHBondContact O-CB 3.49Å; L387-E391 WeakPolarHBondContact O-CG 3.25Å; L387-E391 PolarHBondContact O-N 3.31Å; E388-E391 PolarHBondContact O-N 3.21Å; R389-E391 PolarHBondContact O-N 3.3Å; E391-L394 PolarHBondContact O-N 3Å; E391-K395 VanDerWaalsContact O-CG 3.31Å; E391-K395 WeakPolarHBondContact O-CG 3.29Å; E391-K395 PolarHBondContact O-N 2.76Å
392N93.4Very high90.5Very high73 Ų7362.4 Ų62.439%0.3933%0.333SS..Hα-helixtrans-68.3-42.2176.5-70.4-23.9000111.5E388 R389 L394 K395 V396E388-N392 PolarHBondContact O-N 3.43Å; E388-N392 PolarHBondContact O-ND2 2.86Å; R389-N392 PolarHBondContact O-N 3.48Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.3Å; N392-K395 PolarHBondContact O-N 3.17Å; N392-V396 WeakPolarHBondContact O-CG2 3.42Å; N392-V396 PolarHBondContact O-N 2.93Å
393E91.6Very high90.9Very high79 Ų7961.6 Ų61.637%0.36932%0.319SS..Hα-helixtrans-60.3-43172.8-75.7179.2-160.400111.9T357 R389 V396 A397T357-E393 HydrophobicContact CG2-CB 3.94Å; R389-E393 WeakPolarHBondContact O-CB 3.49Å; R389-E393 WeakPolarHBondContact O-CG 3.24Å; R389-E393 PolarHBondContact O-N 3.4Å; E393-V396 PolarHBondContact O-N 3.07Å; E393-A397 VanDerWaalsContact O-CB 3.29Å; E393-A397 WeakPolarHBondContact O-CB 3.5Å; E393-A397 PolarHBondContact O-N 3.07Å
394L92.7Very high91.1Very high26 Ų2661.5 Ų61.514%0.13632%0.318CS..Hα-helixtrans-63-41.4174.3-81.5166.6000112.1I354 T357 Q358 K361 C390 E391 N392 A398I354-L394 HydrophobicContact CB-CD2 4.34Å; I354-L394 HydrophobicContact CG1-CD2 4.48Å; I354-L394 HydrophobicContact CG2-CD2 3.91Å; T357-L394 HydrophobicContact CG2-CD1 4.34Å; T357-L394 HydrophobicContact CG2-CD2 4.4Å; T357-L394 HydrophobicContact CG2-CG 3.79Å; Q358-L394 HydrophobicContact CB-CD2 4.27Å; K361-L394 HydrophobicContact CB-CD1 4.46Å; K361-L394 HydrophobicContact CD-CD1 3.81Å; C390-L394 VanDerWaalsContact O-CB 3.31Å; C390-L394 WeakPolarHBondContact O-CB 3.28Å; C390-L394 VanDerWaalsContact O-CG 3.28Å; C390-L394 WeakPolarHBondContact O-CG 3.22Å; C390-L394 PolarHBondContact O-N 2.93Å; E391-L394 PolarHBondContact O-N 3Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-L394 PolarHBondContact O-N 3.3Å; L394-A398 WeakPolarHBondContact O-CB 3.43Å; L394-A398 PolarHBondContact O-N 3.05Å
395K93Very high91.3Very high128 Ų12864.8 Ų64.856%0.55733%0.326SS*.Hα-helixtrans-62.2-45.4176.1-75.9171.8-173.7169.30111.7E391 N392 S399E391-K395 VanDerWaalsContact O-CG 3.31Å; E391-K395 WeakPolarHBondContact O-CG 3.29Å; E391-K395 PolarHBondContact O-N 2.76Å; N392-K395 PolarHBondContact O-N 3.17Å; K395-S399 WeakPolarHBondContact O-CB 3.44Å; K395-S399 PolarHBondContact O-N 2.91Å; K395-S399 PolarHBondContact O-OG 3.44Å
396V90.9Very high91.4Very high82 Ų8265.9 Ų65.950%0.49733%0.331SS..Hα-helixtrans-64.6-50.3178.51730000110.3N392 E393 A398 S399 E400N392-V396 WeakPolarHBondContact O-CG2 3.42Å; N392-V396 PolarHBondContact O-N 2.93Å; E393-V396 PolarHBondContact O-N 3.07Å; V396-A398 VanDerWaalsContact C-N 3.32Å; V396-A398 PolarHBondContact O-N 3.25Å; V396-S399 PolarHBondContact O-N 2.98Å; V396-E400 WeakPolarHBondContact O-CB 3.4Å; V396-E400 PolarHBondContact O-N 2.89Å
397A89.4Confident91.3Very high11 Ų1164.3 Ų64.39%0.09132%0.324CS..Hα-helixtrans-63.9-36179.300000112.5I354 E393 M401I354-A397 HydrophobicContact CD1-CB 4.38Å; I354-A397 HydrophobicContact CG1-CB 3.76Å; E393-A397 VanDerWaalsContact O-CB 3.29Å; E393-A397 WeakPolarHBondContact O-CB 3.5Å; E393-A397 PolarHBondContact O-N 3.07Å; A397-M401 VanDerWaalsContact O-CB 3.25Å; A397-M401 WeakPolarHBondContact O-CB 3.23Å; A397-M401 PolarHBondContact O-N 3.15Å
398A91.6Very high91.1Very high42 Ų4265.6 Ų65.635%0.34733%0.33SS..Hα-helixtrans-70.5-38.6175.600000112.5L394 V396 M401 Q402L394-A398 WeakPolarHBondContact O-CB 3.43Å; L394-A398 PolarHBondContact O-N 3.05Å; V396-A398 VanDerWaalsContact C-N 3.32Å; V396-A398 PolarHBondContact O-N 3.25Å; A398-M401 WeakPolarHBondContact O-CB 3.48Å; A398-M401 PolarHBondContact O-N 3.43Å; A398-Q402 WeakPolarHBondContact O-CG 3.48Å; A398-Q402 PolarHBondContact O-N 2.98Å
399S90.9Very high90.9Very high69 Ų6962.8 Ų62.848%0.48333%0.327SS..Hα-helixtrans-65.7-42.4175.1-56.10000110.7K395 V396 Q402 R403K395-S399 WeakPolarHBondContact O-CB 3.44Å; K395-S399 PolarHBondContact O-N 2.91Å; K395-S399 PolarHBondContact O-OG 3.44Å; V396-S399 PolarHBondContact O-N 2.98Å; S399-Q402 PolarHBondContact O-N 3.37Å; S399-R403 WeakPolarHBondContact O-CB 3.38Å; S399-R403 PolarHBondContact O-N 2.95Å
400E90.7Very high90.6Very high36 Ų3660 Ų6017%0.16832%0.32CS..Hα-helixtrans-65.5-40.7174.7-178.259-169.200111.5W323 V396 Q402 R403 L404W323-E400 HydrophobicContact CZ3-CG 4.15Å; V396-E400 WeakPolarHBondContact O-CB 3.4Å; V396-E400 PolarHBondContact O-N 2.89Å; E400-Q402 VanDerWaalsContact C-N 3.31Å; E400-Q402 PolarHBondContact O-N 3.33Å; E400-R403 WeakPolarHBondContact O-CB 3.19Å; E400-R403 PolarHBondContact O-N 2.62Å; E400-R403 IonicContact OE1-CZ 3.41Å; E400-R403 IonicContact OE1-NE 3.31Å; E400-R403 PolarHBondContact OE1-NE 2.88Å; E400-R403 IonicContact OE1-NH2 2.68Å; E400-R403 PolarHBondContact OE1-NH2 3.31Å; E400-R403 IonicContact OE2-CZ 3.67Å; E400-R403 IonicContact OE2-NE 2.78Å; E400-R403 PolarHBondContact OE2-NE 3.47Å; E400-R403 IonicContact OE2-NH2 3.7Å; E400-L404 HydrophobicContact CG-CD1 4.01Å; E400-L404 HydrophobicContact CG-CG 4.34Å; E400-L404 WeakPolarHBondContact O-CB 3.46Å; E400-L404 VanDerWaalsContact O-CG 3.27Å; E400-L404 WeakPolarHBondContact O-CG 3.43Å; E400-L404 PolarHBondContact O-N 2.87Å
401M92Very high90Very high14 Ų1460 Ų607%0.06932%0.32CS..Hα-helixtrans-58.7-41.9171.9-17965.373.400111.9M347 C350 E351 I354 A397 A398 K405M347-M401 HydrophobicContact CB-SD 4.07Å; M347-M401 HydrophobicContact CE-SD 4.26Å; M347-M401 HydrophobicContact CG-SD 4.05Å; M347-M401 WeakPolarHBondContact O-CE 3.27Å; C350-M401 HydrophobicContact CB-CE 3.56Å; E351-M401 HydrophobicContact CB-CE 3.7Å; I354-M401 HydrophobicContact CD1-CB 4.17Å; I354-M401 HydrophobicContact CD1-CE 4Å; I354-M401 HydrophobicContact CD1-CG 4.48Å; A397-M401 VanDerWaalsContact O-CB 3.25Å; A397-M401 WeakPolarHBondContact O-CB 3.23Å; A397-M401 PolarHBondContact O-N 3.15Å; A398-M401 WeakPolarHBondContact O-CB 3.48Å; A398-M401 PolarHBondContact O-N 3.43Å; M401-K405 HydrophobicContact CG-CD 4.21Å; M401-K405 VanDerWaalsContact O-CB 3.31Å; M401-K405 WeakPolarHBondContact O-CB 3.3Å; M401-K405 WeakPolarHBondContact O-CG 3.42Å; M401-K405 PolarHBondContact O-N 3.41Å
402Q91.1Very high89.4Confident140 Ų14058.8 Ų58.865%0.65432%0.318SS*.Hα-helixtrans-66.2-42.5175.4-76.6-178-36.400111.7A398 S399 E400 K405 A406A398-Q402 WeakPolarHBondContact O-CG 3.48Å; A398-Q402 PolarHBondContact O-N 2.98Å; S399-Q402 PolarHBondContact O-N 3.37Å; E400-Q402 VanDerWaalsContact C-N 3.31Å; E400-Q402 PolarHBondContact O-N 3.33Å; Q402-K405 PolarHBondContact O-N 3.45Å; Q402-A406 WeakPolarHBondContact O-CB 3.4Å; Q402-A406 PolarHBondContact O-N 3.34Å
403R91Very high88.6Confident84 Ų8458.3 Ų58.332%0.31732%0.32SS..Hα-helixtrans-60.6-47.8175.6-168.9-165.97278.7-0.3111.3S399 E400 A406 L407S399-R403 WeakPolarHBondContact O-CB 3.38Å; S399-R403 PolarHBondContact O-N 2.95Å; E400-R403 WeakPolarHBondContact O-CB 3.19Å; E400-R403 PolarHBondContact O-N 2.62Å; E400-R403 IonicContact OE1-CZ 3.41Å; E400-R403 IonicContact OE1-NE 3.31Å; E400-R403 PolarHBondContact OE1-NE 2.88Å; E400-R403 IonicContact OE1-NH2 2.68Å; E400-R403 PolarHBondContact OE1-NH2 3.31Å; E400-R403 IonicContact OE2-CZ 3.67Å; E400-R403 IonicContact OE2-NE 2.78Å; E400-R403 PolarHBondContact OE2-NE 3.47Å; E400-R403 IonicContact OE2-NH2 3.7Å; R403-A406 PolarHBondContact O-N 3.2Å; R403-L407 WeakPolarHBondContact O-CB 3.39Å; R403-L407 PolarHBondContact O-N 3.34Å
404L91Very high87.9Confident0 Ų061.1 Ų61.10%033%0.327CS..Hα-helixtrans-64.7-39.3177.1-69.5170.3000111.5V343 Q346 M347 E400 A406 L407 H408V343-L404 HydrophobicContact CG1-CB 4.02Å; V343-L404 HydrophobicContact CG1-CD2 4.02Å; V343-L404 WeakPolarHBondContact CG1-O 3.36Å; Q346-L404 HydrophobicContact CB-CD1 3.78Å; Q346-L404 HydrophobicContact CB-CD2 4.05Å; M347-L404 HydrophobicContact CG-CB 3.54Å; M347-L404 HydrophobicContact CG-CD1 4.16Å; M347-L404 HydrophobicContact CG-CG 4.46Å; M347-L404 HydrophobicContact SD-CB 4.34Å; E400-L404 HydrophobicContact CG-CD1 4.01Å; E400-L404 HydrophobicContact CG-CG 4.34Å; E400-L404 WeakPolarHBondContact O-CB 3.46Å; E400-L404 VanDerWaalsContact O-CG 3.27Å; E400-L404 WeakPolarHBondContact O-CG 3.43Å; E400-L404 PolarHBondContact O-N 2.87Å; L404-A406 VanDerWaalsContact C-N 3.35Å; L404-A406 PolarHBondContact O-N 3.46Å; L404-L407 PolarHBondContact O-N 3.24Å; L404-H408 WeakPolarHBondContact O-CB 3.47Å; L404-H408 PolarHBondContact O-N 2.96Å
405K91.2Very high86.7Confident110 Ų11064 Ų6448%0.47834%0.342SS..Hα-helixtrans-62.4-40172.5-79.1175.2179.4-1790112.5M347 M401 Q402 A409M347-K405 HydrophobicContact CE-CD 4.42Å; M347-K405 HydrophobicContact CE-CG 3.52Å; M347-K405 HydrophobicContact SD-CG 4.13Å; M401-K405 HydrophobicContact CG-CD 4.21Å; M401-K405 VanDerWaalsContact O-CB 3.31Å; M401-K405 WeakPolarHBondContact O-CB 3.3Å; M401-K405 WeakPolarHBondContact O-CG 3.42Å; M401-K405 PolarHBondContact O-N 3.41Å; Q402-K405 PolarHBondContact O-N 3.45Å; K405-A409 VanDerWaalsContact O-CB 3.31Å; K405-A409 WeakPolarHBondContact O-CB 3.49Å; K405-A409 PolarHBondContact O-N 3.42Å
406A89.3Confident85.3Confident62 Ų6263.8 Ų63.851%0.51235%0.347SS..Hα-helixtrans-66.4-44.4175.600000111.3Q402 R403 L404 H408 A409 E410Q402-A406 WeakPolarHBondContact O-CB 3.4Å; Q402-A406 PolarHBondContact O-N 3.34Å; R403-A406 PolarHBondContact O-N 3.2Å; L404-A406 VanDerWaalsContact C-N 3.35Å; L404-A406 PolarHBondContact O-N 3.46Å; A406-H408 VanDerWaalsContact C-N 3.34Å; A406-H408 PolarHBondContact O-N 3Å; A406-A409 PolarHBondContact O-N 3.42Å; A406-E410 PolarHBondContact O-N 2.85Å
407L88.2Confident83.7Confident42 Ų4265.5 Ų65.522%0.2235%0.351CS..Hα-helixtrans-64.8-38.6176.2-17364.1000111.9F331 V343 R403 L404 E410 A411F331-L407 HydrophobicContact CB-CD2 4.22Å; F331-L407 HydrophobicContact CD2-CD2 3.88Å; F331-L407 HydrophobicContact CG-CD2 4.11Å; V343-L407 HydrophobicContact CG2-CD2 3.71Å; V343-L407 HydrophobicContact CG2-CG 4.07Å; R403-L407 WeakPolarHBondContact O-CB 3.39Å; R403-L407 PolarHBondContact O-N 3.34Å; L404-L407 PolarHBondContact O-N 3.24Å; L407-E410 PolarHBondContact O-N 3.01Å; L407-A411 WeakPolarHBondContact O-CB 3.19Å; L407-A411 PolarHBondContact O-N 3.44Å
408H87.4Confident81.5Confident42 Ų4270 Ų7019%0.19438%0.38CS..Hα-helixtrans-65.1-44174.3-175.1-90.3000111.2V343 E344 M347 L404 A406 E410 A411 T412V343-H408 HydrophobicContact CG1-CB 3.7Å; E344-H408 WeakPolarHBondContact CG-NE2 3.49Å; E344-H408 IonicContact OE1-CD2 3.76Å; E344-H408 IonicContact OE1-CE1 3.51Å; E344-H408 IonicContact OE1-NE2 2.77Å; E344-H408 PolarHBondContact OE1-NE2 3.26Å; M347-H408 HydrophobicContact SD-CB 4.05Å; L404-H408 WeakPolarHBondContact O-CB 3.47Å; L404-H408 PolarHBondContact O-N 2.96Å; A406-H408 VanDerWaalsContact C-N 3.34Å; A406-H408 PolarHBondContact O-N 3Å; H408-E410 VanDerWaalsContact C-N 3.33Å; H408-E410 PolarHBondContact O-N 2.91Å; H408-A411 PolarHBondContact O-N 3.14Å; H408-T412 PolarHBondContact CE1-OG1 3.38Å; H408-T412 PolarHBondContact ND1-OG1 2.75Å; H408-T412 WeakPolarHBondContact O-CB 2.92Å; H408-T412 PolarHBondContact O-N 3.36Å; H408-T412 PolarHBondContact O-OG1 2.91Å
409A86.5Confident79.3Confident59 Ų5976.1 Ų76.149%0.48841%0.405SS..Hα-helixtrans-62.3-40.7174.800000111.5K405 A406 S413K405-A409 VanDerWaalsContact O-CB 3.31Å; K405-A409 WeakPolarHBondContact O-CB 3.49Å; K405-A409 PolarHBondContact O-N 3.42Å; A406-A409 PolarHBondContact O-N 3.42Å; A409-S413 WeakPolarHBondContact O-CB 3.49Å; A409-S413 PolarHBondContact O-N 3.04Å
410E84.7Confident76.7Confident92 Ų9280.6 Ų80.643%0.4342%0.423SS..Hα-helixtrans-64-51.2174.6-173.4178.316800111.5A406 L407 H408 T412 S413 R414A406-E410 PolarHBondContact O-N 2.85Å; L407-E410 PolarHBondContact O-N 3.01Å; H408-E410 VanDerWaalsContact C-N 3.33Å; H408-E410 PolarHBondContact O-N 2.91Å; E410-T412 VanDerWaalsContact C-N 3.3Å; E410-T412 PolarHBondContact O-N 3.43Å; E410-S413 WeakPolarHBondContact O-CB 3.47Å; E410-S413 PolarHBondContact O-N 3.25Å; E410-S413 VanDerWaalsContact O-N 3.09Å; E410-S413 PolarHBondContact O-OG 3.31Å; E410-R414 PolarHBondContact O-N 2.91Å; E410-R414 IonicContact OE1-CZ 3.61Å; E410-R414 IonicContact OE1-NE 3.65Å; E410-R414 IonicContact OE1-NH2 2.78Å; E410-R414 PolarHBondContact OE1-NH2 2.97Å
411A80Confident73.9Confident2 Ų281.9 Ų81.92%0.01744%0.44CS..Hα-helixtrans-59.7-41.1177.800000111.7Q339 C340 L407 H408 R414 L415Q339-A411 HydrophobicContact CB-CB 4.17Å; C340-A411 VanDerWaalsContact SG-CB 3.53Å; L407-A411 WeakPolarHBondContact O-CB 3.19Å; L407-A411 PolarHBondContact O-N 3.44Å; H408-A411 PolarHBondContact O-N 3.14Å; A411-R414 PolarHBondContact O-N 2.76Å; A411-L415 PolarHBondContact O-N 2.95Å; A411-L415 VanDerWaalsContact O-N 3.1Å
412T80.2Confident71.1Confident42 Ų4287.6 Ų87.626%0.25848%0.476SS..Hα-helixtrans-66-37175.1-56.10000111.5H408 E410 R414 L415 N416H408-T412 PolarHBondContact CE1-OG1 3.38Å; H408-T412 PolarHBondContact ND1-OG1 2.75Å; H408-T412 WeakPolarHBondContact O-CB 2.92Å; H408-T412 PolarHBondContact O-N 3.36Å; H408-T412 PolarHBondContact O-OG1 2.91Å; E410-T412 VanDerWaalsContact C-N 3.3Å; E410-T412 PolarHBondContact O-N 3.43Å; T412-R414 VanDerWaalsContact C-N 3.33Å; T412-R414 PolarHBondContact O-N 3.33Å; T412-L415 WeakPolarHBondContact O-CB 3.23Å; T412-L415 PolarHBondContact O-N 3.25Å; T412-N416 WeakPolarHBondContact O-CB 3.36Å; T412-N416 PolarHBondContact O-N 3.33Å
413S78.2Confident68.2Low63 Ų6386.2 Ų86.244%0.44148%0.482SS..Hα-helixtrans-65.7-35.2175.177.90000112.4A409 E410 L415 N416 M417A409-S413 WeakPolarHBondContact O-CB 3.49Å; A409-S413 PolarHBondContact O-N 3.04Å; E410-S413 WeakPolarHBondContact O-CB 3.47Å; E410-S413 PolarHBondContact O-N 3.25Å; E410-S413 VanDerWaalsContact O-N 3.09Å; E410-S413 PolarHBondContact O-OG 3.31Å; S413-L415 VanDerWaalsContact C-N 3.34Å; S413-N416 CarbonylContact O-C 3.58Å; S413-N416 PolarHBondContact O-N 3.04Å; S413-M417 PolarHBondContact O-N 3.46Å
414R76.4Confident65.5Low138 Ų13888.1 Ų88.152%0.52150%0.503SS..Hα-helixtrans-67.6-34.3173.4-65.8-176.4-172.2-163.74.9112.1P336 E410 A411 T412 N416P336-R414 HydrophobicContact CB-CB 4.48Å; E410-R414 PolarHBondContact O-N 2.91Å; E410-R414 IonicContact OE1-CZ 3.61Å; E410-R414 IonicContact OE1-NE 3.65Å; E410-R414 IonicContact OE1-NH2 2.78Å; E410-R414 PolarHBondContact OE1-NH2 2.97Å; A411-R414 PolarHBondContact O-N 2.76Å; T412-R414 VanDerWaalsContact C-N 3.33Å; T412-R414 PolarHBondContact O-N 3.33Å; R414-N416 VanDerWaalsContact C-N 3.33Å
415L67.9Low62.6Low86 Ų8693.7 Ų93.745%0.4554%0.539SS..Hα-helixtrans-70.2-29.6172.6-70.9171.5000112.8P336 C340 A411 T412 S413P336-L415 HydrophobicContact CB-CD2 3.76Å; P336-L415 HydrophobicContact CB-CG 3.92Å; C340-L415 HydrophobicContact CB-CD1 4.37Å; C340-L415 VanDerWaalsContact SG-CD1 3.57Å; A411-L415 PolarHBondContact O-N 2.95Å; A411-L415 VanDerWaalsContact O-N 3.1Å; T412-L415 WeakPolarHBondContact O-CB 3.23Å; T412-L415 PolarHBondContact O-N 3.25Å; S413-L415 VanDerWaalsContact C-N 3.34Å
416N62.6Low59.7Low124 Ų12498 Ų9866%0.66356%0.558SS**THydrogen-bonded Turntrans-95.48-177.2-76.1-15.3000114.6T412 S413 R414 P418T412-N416 WeakPolarHBondContact O-CB 3.36Å; T412-N416 PolarHBondContact O-N 3.33Å; S413-N416 CarbonylContact O-C 3.58Å; S413-N416 PolarHBondContact O-N 3.04Å; R414-N416 VanDerWaalsContact C-N 3.33Å; N416-P418 WeakPolarHBondContact O-CD 3.41Å
417M57.3Low56.9Low117 Ų117100.9 Ų100.958%0.57657%0.569SS**  trans-79.2122.6172.6-85-161.273.400111.5S413 A421S413-M417 PolarHBondContact O-N 3.46Å; M417-A421 HydrophobicContact CE-CB 3.84Å
418P42.7Very low54Low107 Ų107106.4 Ų106.470%0.69560%0.599SS**  trans-65142.7171.7-1629.7000111.1N416 N420N416-P418 WeakPolarHBondContact O-CD 3.41Å; P418-N420 PolarHBondContact O-N 2.99Å
419I47.1Very low51.2Low169 Ų169110.6 Ų110.687%0.86763%0.627SS**SBendtrans-59.8-3.8-167.9-70.6173.1000116
420N35.6Very low48.5Very low163 Ų163113 Ų11387%0.87264%0.641SS**  trans-119.476.6176.6-94.7-2.7000112.6P418P418-N420 PolarHBondContact O-N 2.99Å
421A31.7Very low45.9Very low64 Ų64112.9 Ų112.953%0.52966%0.656SS.*  trans-156.560.8162.600000111M417M417-A421 HydrophobicContact CE-CB 3.84Å
422T33Very low43.6Very low133 Ų133117.9 Ų117.982%0.81669%0.69SS**  trans-94.894.8163.3-26.80000108.5
423S30.3Very low41.3Very low111 Ų111124.3 Ų124.378%0.77672%0.715SS**  trans-141.574.6155.655.30000108.8
424V34Very low39.1Very low124 Ų124128.5 Ų128.575%0.75273%0.727SS**  trans-70.8126.4162-78.20000108.7F426V424-F426 PolarHBondContact O-N 2.93Å
425P30.8Very low36.7Very low118 Ų118127.4 Ų127.477%0.76674%0.736SS**  trans-79.1109.51743.812.1000109.2V427P425-V427 PolarHBondContact O-N 3.18Å
426F29.7Very low34.9Very low201 Ų201132.5 Ų132.588%0.88275%0.754SS**PPolyproline II helixtrans-68.6122.8167.3-141-97.6000108.6V424 N428V424-F426 PolarHBondContact O-N 2.93Å; F426-N428 PolarHBondContact O-N 3.39Å
427V31Very low33.3Very low122 Ų122137.8 Ų137.874%0.73977%0.765SS**PPolyproline II helixtrans-76.8123.8-179.1-175.60000109.3P425 T429P425-V427 PolarHBondContact O-N 3.18Å; V427-T429 PolarHBondContact O-N 2.87Å
428N26.6Very low32.2Very low157 Ų157136.9 Ų136.984%0.8477%0.77SS**PPolyproline II helixtrans-57.1126.7179.7-72.6-28.8000112.7F426F426-N428 PolarHBondContact O-N 3.39Å
429T28.7Very low31.5Very low130 Ų130136.5 Ų136.580%0.79877%0.77SS**  trans-119.4108.7157.9-46.20000108.7V427V427-T429 PolarHBondContact O-N 2.87Å
430S30.5Very low30.9Very low110 Ų110135.8 Ų135.877%0.76977%0.767SS**  trans46.6117.5149.6-53.90000122.2
431A28.9Very low30.9Very low90 Ų90132.5 Ų132.574%0.74476%0.757SS**  trans74.5103.8134.400000120.6
432S32.4Very low30.7Very low106 Ų106137.1 Ų137.174%0.74177%0.773SS**  160.3126.1104.3-730000114.4
433K32.4Very low31Very low177 Ų177139.8 Ų139.877%0.7778%0.776SS**  trans74.3118.9138.1-73.8179.3-178.6175.60122.7
434H30.7Very low31Very low152 Ų152138.7 Ų138.770%0.70477%0.768SS**  trans78.2100.5138.9-70.7-55.4000119
435T27.1Very low31Very low114 Ų114140.5 Ų140.570%0.69977%0.773SS**  93.8127.676.946.20000115.7
436K30.2Very low30.8Very low193 Ų193139.4 Ų139.484%0.83977%0.768SS**  trans117.1106.7151.2-67.1-176.4-178.3178.40113.2
437R27.6Very low30.9Very low236 Ų236141.9 Ų141.989%0.89177%0.771SS**  82122.690.4-164.4178.8-158.5-147.55.4109
438S34.4Very low30.8Very low97 Ų97143.1 Ų143.168%0.67877%0.774SS**  cis-170137.743.615.60000108
439S28.9Very low31.1Very low100 Ų100141.1 Ų141.170%0.69977%0.772SS**  74127.696.7103.50000113.2
440L35Very low30.9Very low153 Ų153142.3 Ų142.380%0.80177%0.774SS**  cis-168.6153.936.3-90.2153.8000111.3
441S34.3Very low31Very low94 Ų94141.9 Ų141.966%0.65778%0.777SS**  trans59.111214357.90000119.1
442D29.1Very low30.9Very low162 Ų162142.6 Ų142.687%0.86678%0.776SS**  98.8104.365-86.3-39.7000110.2
443E38.2Very low30.9Very low189 Ų189143.2 Ų143.288%0.88378%0.778SS**  -146.5121.9127.9-142.2-155.413600110.2
444S30.5Very low30.7Very low87 Ų87146.3 Ų146.361%0.60879%0.785SS**  trans-77142.4171.146.20000111.4
445L33.8Very low30.4Very low162 Ų162145.4 Ų145.485%0.84879%0.785SS**  178.9112.1111.7-89.5174.3000111
446S26.8Very low30.5Very low96 Ų96144.7 Ų144.767%0.67179%0.785SS**  trans-59.1149.6162.6520000113.9
447R31.8Very low30.2Very low253 Ų253140 Ų14096%0.95578%0.777SS**  trans-158.2123130.4-111.4171.8-176.5-167.40.5112.4
448N29.4Very low30.4Very low148 Ų148134.2 Ų134.279%0.79177%0.772SS**  trans-71.3161.6177-58.5-18.9000112.6
449S32Very low30Very low115 Ų115138 Ų13880%0.80478%0.779SS**  170.9102.2127.6-63.20000106.9
450D25.4Very low29.9Very low154 Ų154139.5 Ų139.582%0.82478%0.779SS**  76106.478.5-155.711.4000113.4
451A32.8Very low29.4Very low102 Ų102137.3 Ų137.384%0.84377%0.772SS**  trans-164.29515700000109.6
452S26.2Very low29.2Very low104 Ų104140.7 Ų140.773%0.72778%0.777SS**  trans-89.9152.7154.7-63.70000109.4
453P32.9Very low28.9Very low120 Ų120137.4 Ų137.478%0.77977%0.767SS**  -143.7142.591.726.6-5.4000113.4
454R26.5Very low28.3Very low241 Ų241134.7 Ų134.791%0.90977%0.767SS**  49.4142.385.7-80.5-174170.6-152.1-1.7114.2
455N25.1Very low27.9Very low133 Ų133138.9 Ų138.971%0.71178%0.782SS**  cis179.2164.7-3.717347.8000106.5
456S30.1Very low27.8Very low99 Ų99135.7 Ų135.769%0.69278%0.779SS**  trans119110.5157.3-64.20000112.7
457S23.8Very low27.6Very low96 Ų96136.6 Ų136.667%0.67179%0.785SS**  cis81.9129.336.583.40000116
458S32.3Very low27.4Very low114 Ų114133.8 Ų133.880%0.79778%0.783SS**  trans119.4105.8164.6-62.50000112.2
459Q24.8Very low27.1Very low175 Ų175131.5 Ų131.582%0.81878%0.779SS**  71.9134.252-85.4-170.6-41.600116.5
460D27.2Very low27Very low132 Ų132131.9 Ų131.971%0.70678%0.781SS**  trans90.7145.9150.8-63.4-19.1000119.5
461V24.3Very low26.9Very low107 Ų107134 Ų13465%0.64878%0.784SS**  cis-173.3167.8-25.2-99.50000106.8
462H30.6Very low26.8Very low166 Ų166140 Ų14077%0.76978%0.784SS**  trans97.2116.5163.8-57.7-62.9000117
463S21.8Very low27Very low92 Ų92141.6 Ų141.664%0.64379%0.785SS**  cis72.1107.94384.80000115.1
464C25.6Very low26.7Very low133 Ų133140.4 Ų140.490%0.89979%0.785SS**  176.8143.1124.5-92.40000112.9
465L22.9Very low27.1Very low175 Ų175137.5 Ų137.592%0.91679%0.787SS**  trans-99.6146.8179.2-68.5157.9000110.6
466A31.1Very low27.3Very low95 Ų95136.1 Ų136.179%0.78579%0.788SS**  trans-163.3107.9153.300000105.5
467S23.4Very low27.7Very low114 Ų114138.9 Ų138.980%0.79780%0.795SS**  45.4101.572.6-59.40000113.6
468E27.1Very low27.8Very low195 Ų195138.9 Ų138.991%0.91179%0.794SS**  -169.1134123.7-105179.5-178.800112.8
469S23.3Very low27.8Very low100 Ų100140.9 Ų140.970%0.69980%0.796SS**  trans-73.5146.8170.448.60000112.4
470S30.2Very low28.4Very low123 Ų123138.7 Ų138.786%0.8680%0.8SS**  trans-172.7112.7135.3-84.10000111.4
471F23.2Very low28.6Very low199 Ų199136.5 Ų136.587%0.87380%0.8SS**  trans-68149.2158.2-70.2-95.3000110.1
472R29.7Very low28.9Very low228 Ų228138.3 Ų138.386%0.8681%0.806SS**  trans-171.6119.4143.6-103162.2-175.5-138.7-1.4113.2
473N30.7Very low29Very low137 Ų137136.2 Ų136.273%0.73380%0.8SS**  trans65.1118.1138.2-51.1-13.4000118.3
474A27.7Very low29.9Very low94 Ų94137.4 Ų137.478%0.77780%0.803SS**  63.398.650.700000113
475D33.3Very low30.4Very low180 Ų180141.3 Ų141.396%0.96380%0.801SS**  trans-134.2139.4153-94.4-34.7000108.7
476S29.8Very low31.1Very low105 Ų105142.2 Ų142.273%0.73479%0.793SS**  trans-139.1126.8-161.21680000106.7
477D38Very low31Very low157 Ų157144.1 Ų144.184%0.8479%0.79SS**  trans-145.295.4165.4-78.7-36.3000107.1
478C27.9Very low31.4Very low95 Ų95145.8 Ų145.864%0.64279%0.79SS**  28111.3100.773.80000117.8
479D31Very low31.7Very low157 Ų157143.6 Ų143.684%0.8479%0.785SS**  160.3109.6106-93.4-19.7000111.9
480S38.2Very low32.5Very low129 Ų129143.8 Ų143.890%0.90278%0.782SS**  trans-158.1110.7140.8-147.20000109.5
481A31Very low33.3Very low85 Ų85143.1 Ų143.170%0.70277%0.769SS**  trans-70.2158.5-177.100000113.1
482N30.6Very low34.6Very low145 Ų145141.8 Ų141.878%0.77577%0.771SS**  trans7572.9160.4-66.1-15.7000118.2
483N32.7Very low36.5Very low123 Ų123133.1 Ų133.166%0.65874%0.743SS**  trans-134.578.3146.9-152.33.8000109.8
484V40.3Very low39.1Very low116 Ų116133.7 Ų133.770%0.70374%0.743SS**  trans-98.722.5-172-169.20000112.7
485Y36.6Very low42.1Very low215 Ų215132.7 Ų132.784%0.84372%0.724SS**SBendtrans-131.97.6177.2-81.4-74.3000116.6
486Y36.7Very low44.9Very low194 Ų194126.8 Ų126.876%0.76169%0.692SS**SBendtrans-126.226.9174.6-77.2-71.2000114.8
487N29.3Very low48Very low136 Ų136121.8 Ų121.873%0.72766%0.657SS**  trans-131.366.8169-71.9-44.4000109.8
488N32.3Very low50.7Low148 Ų148118.7 Ų118.779%0.79164%0.636SS**  trans-125.355.3150.4-92.7-10.5000106.6T490N488-T490 PolarHBondContact O-N 3.36Å
489D33.3Very low53.9Low150 Ų150114.1 Ų114.180%0.80261%0.606SS**  trans-66.371.2143.7-73.5-28.8000105.5D491D489-D491 VanDerWaalsContact C-N 3.3Å; D489-D491 PolarHBondContact O-N 3.43Å
490T39.7Very low57.1Low104 Ų104108.4 Ų108.464%0.63858%0.576SS**  trans-68.1105.1165.5-39.50000102N488 D492N488-T490 PolarHBondContact O-N 3.36Å; T490-D492 PolarHBondContact O-N 3.41Å
491D47.1Very low59.9Low109 Ų109102.3 Ų102.358%0.58353%0.534SS*.  trans-33104.2177.4-88.2-45.6000110D489 T493D489-D491 VanDerWaalsContact C-N 3.3Å; D489-D491 PolarHBondContact O-N 3.43Å; D491-T493 HydrophobicContact CB-CG2 3.96Å; D491-T493 PolarHBondContact O-N 3.32Å; D491-T493 PolarHBondContact O-OG1 3.06Å
492D51.8Low63Low171 Ų171101.4 Ų101.491%0.91452%0.517SS*.  trans-72.437.7176.2-121.5-0.6000109.1T490 M494T490-D492 PolarHBondContact O-N 3.41Å; D492-M494 PolarHBondContact O-N 3.24Å
493T69Low66.1Low46 Ų46100.8 Ų100.828%0.28250%0.504SS..  trans-67.2106172.952.30000107D491 I495 R536D491-T493 HydrophobicContact CB-CG2 3.96Å; D491-T493 PolarHBondContact O-N 3.32Å; D491-T493 PolarHBondContact O-OG1 3.06Å; T493-I495 PolarHBondContact O-N 2.99Å; T493-R536 PolarHBondContact OG1-NH1 2.97Å; T493-R536 PolarHBondContact OG1-NH2 3.39Å
494M84.8Confident69.1Low149 Ų149100 Ų10073%0.73450%0.501SS*.  trans-52.1128178.3-168.5177.6-148.700110.7D492 L496D492-M494 PolarHBondContact O-N 3.24Å; M494-L496 HydrophobicContact CG-CD2 4.31Å; M494-L496 PolarHBondContact O-N 3.01Å; M494-L496 HydrophobicContact SD-CD2 4.32Å
495I91Very high71.7Confident72 Ų7296.3 Ų96.337%0.36948%0.475SS..  trans-84.6114.5174.2-59166.2000107.8T493 L522 L524 Y558T493-I495 PolarHBondContact O-N 2.99Å; I495-L522 HydrophobicContact CD1-CD1 4.11Å; I495-L522 HydrophobicContact CG2-CB 4.07Å; I495-L522 HydrophobicContact CG2-CD2 4.14Å; I495-L524 HydrophobicContact CG1-CD2 4.48Å; I495-Y558 HydrophobicContact CG2-CD2 4.42Å; I495-Y558 HydrophobicContact CG2-CE2 3.74Å
496L91.3Very high74.4Confident57 Ų5790 Ų9030%0.29847%0.467SS..  trans-81.1-25.6-176.2-56.7179.3000112.5M494 I523 L524 V526 F557 Y558M494-L496 HydrophobicContact CG-CD2 4.31Å; M494-L496 PolarHBondContact O-N 3.01Å; M494-L496 HydrophobicContact SD-CD2 4.32Å; L496-I523 HydrophobicContact CB-CB 4.3Å; L496-I523 HydrophobicContact CB-CG2 4.1Å; L496-I523 HydrophobicContact CD1-CG2 4.35Å; L496-I523 PolarHBondContact N-O 3.38Å; L496-L524 VanDerWaalsContact CD1-O 3.31Å; L496-L524 WeakPolarHBondContact CD1-O 3.29Å; L496-V526 HydrophobicContact CD1-CG2 3.76Å; L496-F557 HydrophobicContact CB-CD1 4.24Å; L496-F557 HydrophobicContact CB-CE1 4.38Å; L496-Y558 PolarHBondContact O-N 3.01Å
497G94.5Very high76.7Confident0 Ų081.9 Ų81.90%044%0.443CS..EExtended strand (participates in β ladder)trans171.9-164.2-175.600000113.8I523 E556G497-I523 PolarHBondContact O-N 3.24Å; G497-E556 CarbonylContact C-O 3.59Å; G497-E556 VanDerWaalsContact CA-O 3.24Å; G497-E556 WeakPolarHBondContact CA-O 3.32Å
498K95.5Very high79.2Confident91 Ų9179.3 Ų79.340%0.39645%0.449SS..EExtended strand (participates in β ladder)trans-111.6146.9174.2-63179.8-177.1170.70110.3L521 L522 I523 E556 Y558K498-L521 CarbonylContact C-O 3.4Å; K498-L521 WeakPolarHBondContact CA-O 3.44Å; K498-L522 HydrophobicContact CG-CD2 4.41Å; K498-I523 WeakPolarHBondContact O-CD1 3.48Å; K498-E556 PolarHBondContact N-O 3.24Å; K498-E556 PolarHBondContact O-N 3.35Å; K498-Y558 HydrophobicContact CD-CE1 4.42Å; K498-Y558 WeakPolarHBondContact CE-OH 3.44Å; K498-Y558 HydrophobicContact CG-CE1 4.16Å; K498-Y558 WeakPolarHBondContact CG-OH 3.46Å
499A96Very high81.5Confident0 Ų075.1 Ų75.10%043%0.431CS..EExtended strand (participates in β ladder)trans-126.9138.7172.700000110.2L521 I523 L553 K554 L555A499-L521 HydrophobicContact CB-CB 4.42Å; A499-L521 PolarHBondContact N-O 3.28Å; A499-L521 PolarHBondContact O-N 3.32Å; A499-I523 HydrophobicContact CB-CD1 4.25Å; A499-I523 HydrophobicContact CB-CG1 3.84Å; A499-L553 HydrophobicContact CB-CB 4.41Å; A499-L553 HydrophobicContact CB-CD1 4.07Å; A499-L553 HydrophobicContact CB-CD2 4.27Å; A499-K554 CarbonylContact C-O 3.57Å; A499-K554 WeakPolarHBondContact CA-O 3.49Å; A499-L555 HydrophobicContact CB-CD2 3.78Å
500T97Very high84Confident36 Ų3677.5 Ų77.522%0.22144%0.437CS..EExtended strand (participates in β ladder)trans-107.6125.7170.1-53.30000109.5L502 E519 Q520 K554T500-L502 PolarHBondContact O-N 2.98Å; T500-E519 WeakPolarHBondContact CA-O 3.37Å; T500-Q520 PolarHBondContact OG1-NE2 3.1Å; T500-Q520 PolarHBondContact OG1-OE1 3.12Å; T500-K554 PolarHBondContact N-O 2.88Å; T500-K554 PolarHBondContact O-N 3.32Å
501A96.9Very high86.3Confident1 Ų174.8 Ų74.81%0.00843%0.429CS..EExtended strand (participates in β ladder)trans-68.1124.7174.200000111.1I515 R516 S518 E519 L553A501-I515 HydrophobicContact CB-CB 4.34Å; A501-I515 HydrophobicContact CB-CD1 3.89Å; A501-I515 HydrophobicContact CB-CG1 4.46Å; A501-R516 WeakPolarHBondContact CB-O 3.48Å; A501-S518 WeakPolarHBondContact O-CA 3.38Å; A501-S518 PolarHBondContact O-N 3.37Å; A501-E519 HydrophobicContact CB-CB 4.23Å; A501-E519 PolarHBondContact N-O 3.28Å; A501-L553 HydrophobicContact CB-CD2 4.49Å
502L96.4Very high88.4Confident67 Ų6772.2 Ų72.235%0.35142%0.415SS..  trans-85.3-30.1179.1-65.9176.1000112.5T500 Q517 Y552 K554T500-L502 PolarHBondContact O-N 2.98Å; L502-Q517 WeakPolarHBondContact O-CG 3.47Å; L502-Q517 PolarHBondContact O-NE2 3.42Å; L502-Y552 PolarHBondContact N-O 3.37Å; L502-K554 HydrophobicContact CD1-CB 4.46Å; L502-K554 HydrophobicContact CD2-CB 4.01Å; L502-K554 HydrophobicContact CG-CB 4.25Å
503Y95.6Very high90.4Very high131 Ų13164.3 Ų64.351%0.51437%0.372SS..SBendtrans-140.6160-176.7-51.1-74.9000110.3Y552Y503-Y552 HydrophobicContact CD2-CD1 4.32Å; Y503-Y552 HydrophobicContact CD2-CG 4.36Å; Y503-Y552 HydrophobicContact CG-CD1 4.49Å
504D96.2Very high91.6Very high108 Ų10864.4 Ų64.458%0.57838%0.375SS*.  trans-69138.1170-67.5-14.2000110.2I515 R516 Q517 Y552D504-I515 WeakPolarHBondContact CA-O 3.32Å; D504-R516 VanDerWaalsContact OD1-CA 3.26Å; D504-R516 WeakPolarHBondContact OD1-CA 3.43Å; D504-Q517 PolarHBondContact OD1-N 2.73Å; D504-Y552 WeakPolarHBondContact O-CE1 3.43Å
505F95Very high92.1Very high37 Ų3757.4 Ų57.416%0.16234%0.341CS..BIsolated β-bridgetrans-137132172.4171.1-100.1000109.5M512 I513 S514 I515 W532 V548 P549 Y552F505-M512 HydrophobicContact CE1-CB 4.45Å; F505-M512 HydrophobicContact CE1-SD 4.48Å; F505-M512 HydrophobicContact CZ-SD 3.97Å; F505-I513 WeakPolarHBondContact CD1-O 3.41Å; F505-S514 CarbonylContact O-C 3.58Å; F505-S514 WeakPolarHBondContact O-CA 3.38Å; F505-I515 HydrophobicContact CB-CD1 4.22Å; F505-I515 HydrophobicContact CB-CG1 3.69Å; F505-I515 HydrophobicContact CD1-CG1 4.46Å; F505-I515 PolarHBondContact N-O 2.87Å; F505-I515 PolarHBondContact O-N 2.94Å; F505-W532 HydrophobicContact CE1-CZ3 4.39Å; F505-W532 HydrophobicContact CE2-CH2 4.43Å; F505-W532 AromaticContact CZ-CH2 4Å; F505-W532 HydrophobicContact CZ-CH2 4Å; F505-W532 AromaticContact CZ-CZ3 3.84Å; F505-W532 HydrophobicContact CZ-CZ3 3.84Å; F505-V548 HydrophobicContact CD1-CG1 4.28Å; F505-P549 HydrophobicContact CD2-CG 3.75Å; F505-P549 HydrophobicContact CE1-CG 4.49Å; F505-P549 HydrophobicContact CE2-CG 3.59Å; F505-P549 HydrophobicContact CG-CG 4.28Å; F505-P549 HydrophobicContact CZ-CG 4Å; F505-Y552 HydrophobicContact CB-CD1 3.85Å; F505-Y552 HydrophobicContact CB-CE1 4.11Å
506A92Very high92.2Very high82 Ų8263.1 Ų63.168%0.67836%0.357SS*.  trans-100.2111.717800000109.8G508A506-G508 PolarHBondContact O-N 3.25Å
507G86.6Confident92.4Very high25 Ų2566.1 Ų66.126%0.25837%0.37SS..  trans-74.4111.2174.600000110.5S514G507-S514 PolarHBondContact N-OG 3.45Å
508G80.6Confident92.4Very high82 Ų8270.5 Ų70.585%0.84540%0.4SS*.  trans-109.1-12.1-178.800000115.1A506A506-G508 PolarHBondContact O-N 3.25Å
509S82.1Confident92.4Very high59 Ų5968 Ų6841%0.41339%0.39SS..SBendtrans-116.3154.5-178.653.50000111.9G511 M512S509-G511 PolarHBondContact O-N 2.96Å; S509-M512 WeakPolarHBondContact O-CB 3.13Å; S509-M512 PolarHBondContact O-N 3.5Å; S509-M512 WeakPolarHBondContact OG-CE 3.43Å; S509-M512 WeakPolarHBondContact OG-CG 3.41Å; S509-M512 PolarHBondContact OG-SD 2.65Å
510E84Confident92.3Very high201 Ų20172.4 Ų72.494%0.93941%0.411SS*.THydrogen-bonded Turntrans-52.8128.5178.2-167.4175.8179.600111.3
511G88.8Confident92.3Very high46 Ų4670.8 Ų70.847%0.47440%0.401SS..THydrogen-bonded Turntrans88.3-6.4-176.900000116S509 G546 F547S509-G511 PolarHBondContact O-N 2.96Å; G511-G546 CarbonylContact O-C 3.5Å; G511-G546 VanDerWaalsContact O-CA 3.31Å; G511-G546 WeakPolarHBondContact O-CA 3.22Å; G511-F547 PolarHBondContact O-N 3.19Å
512M91.7Very high92.2Very high56 Ų5672.1 Ų72.128%0.27641%0.407SS..BIsolated β-bridgetrans-98.9142.9174.1-62.1-173.2-172.700111.7F505 S509 W532 F547F505-M512 HydrophobicContact CE1-CB 4.45Å; F505-M512 HydrophobicContact CE1-SD 4.48Å; F505-M512 HydrophobicContact CZ-SD 3.97Å; S509-M512 WeakPolarHBondContact O-CB 3.13Å; S509-M512 PolarHBondContact O-N 3.5Å; S509-M512 WeakPolarHBondContact OG-CE 3.43Å; S509-M512 WeakPolarHBondContact OG-CG 3.41Å; S509-M512 PolarHBondContact OG-SD 2.65Å; M512-W532 HydrophobicContact CE-CE3 4.42Å; M512-W532 HydrophobicContact CE-CH2 3.39Å; M512-W532 HydrophobicContact CE-CZ2 3.72Å; M512-W532 HydrophobicContact CE-CZ3 3.78Å; M512-W532 HydrophobicContact CG-CZ3 4.35Å; M512-W532 HydrophobicContact SD-CH2 3.64Å; M512-W532 HydrophobicContact SD-CZ3 3.73Å; M512-F547 WeakPolarHBondContact CA-O 3.48Å
513I93.2Very high92.2Very high4 Ų468.9 Ų68.92%0.02139%0.391CS..  trans-111.3148.517564.6169000111.3F505 I515 V535 D543 E545 F547 V548F505-I513 WeakPolarHBondContact CD1-O 3.41Å; I513-I515 HydrophobicContact CD1-CG2 4.29Å; I513-I515 HydrophobicContact CG1-CG2 4.29Å; I513-V535 HydrophobicContact CD1-CG2 3.7Å; I513-V535 HydrophobicContact CG1-CG2 4.28Å; I513-D543 HydrophobicContact CB-CB 4.38Å; I513-D543 HydrophobicContact CG2-CB 3.97Å; I513-E545 WeakPolarHBondContact CG2-O 3.48Å; I513-F547 PolarHBondContact N-O 3.04Å; I513-V548 HydrophobicContact CD1-CG1 4.46Å; I513-V548 HydrophobicContact CG1-CG1 3.68Å
514S93.9Very high92.1Very high48 Ų4863.2 Ų63.234%0.33637%0.369SS..  trans-78.7139.3171.2-61.20000110.2F505 G507 R537F505-S514 CarbonylContact O-C 3.58Å; F505-S514 WeakPolarHBondContact O-CA 3.38Å; G507-S514 PolarHBondContact N-OG 3.45Å; S514-R537 PolarHBondContact O-NH2 3.45Å
515I95.1Very high92Very high3 Ų362.9 Ų62.92%0.01536%0.364CS..BIsolated β-bridgetrans-130.4148.8177.155168.2000110.1A501 D504 F505 I513 L521 V548 L553A501-I515 HydrophobicContact CB-CB 4.34Å; A501-I515 HydrophobicContact CB-CD1 3.89Å; A501-I515 HydrophobicContact CB-CG1 4.46Å; D504-I515 WeakPolarHBondContact CA-O 3.32Å; F505-I515 HydrophobicContact CB-CD1 4.22Å; F505-I515 HydrophobicContact CB-CG1 3.69Å; F505-I515 HydrophobicContact CD1-CG1 4.46Å; F505-I515 PolarHBondContact N-O 2.87Å; F505-I515 PolarHBondContact O-N 2.94Å; I513-I515 HydrophobicContact CD1-CG2 4.29Å; I513-I515 HydrophobicContact CG1-CG2 4.29Å; I515-L521 HydrophobicContact CB-CD1 4.43Å; I515-L521 HydrophobicContact CG2-CD1 3.6Å; I515-L521 HydrophobicContact CG2-CD2 4.48Å; I515-V548 HydrophobicContact CD1-CB 4.07Å; I515-V548 HydrophobicContact CD1-CG1 4.02Å; I515-V548 HydrophobicContact CD1-CG2 4.39Å; I515-V548 HydrophobicContact CG1-CG1 4.19Å; I515-V548 HydrophobicContact CG2-CG1 3.78Å; I515-L553 HydrophobicContact CD1-CD2 4.06Å
516R94.1Very high91.8Very high192 Ų19264 Ų6473%0.72537%0.374SS*.  trans-107.4149.7174.3-68.1-170.9176.2-163.6-1.8111.3A501 D504 S518 E519A501-R516 WeakPolarHBondContact CB-O 3.48Å; D504-R516 VanDerWaalsContact OD1-CA 3.26Å; D504-R516 WeakPolarHBondContact OD1-CA 3.43Å; R516-S518 PolarHBondContact O-N 3.38Å; R516-E519 PolarHBondContact N-OE2 3.21Å; R516-E519 WeakPolarHBondContact O-CB 3.34Å; R516-E519 PolarHBondContact O-N 3.02Å
517Q96.2Very high91.9Very high120 Ų12062.6 Ų62.656%0.56136%0.355SS*.THydrogen-bonded Turntrans-52.2135.7174.6178.1171.348.900110.5L502 D504 E519L502-Q517 WeakPolarHBondContact O-CG 3.47Å; L502-Q517 PolarHBondContact O-NE2 3.42Å; D504-Q517 PolarHBondContact OD1-N 2.73Å; Q517-E519 PolarHBondContact O-N 2.97Å
518S94.1Very high91.9Very high91 Ų9167.8 Ų67.864%0.63638%0.382SS*.THydrogen-bonded Turntrans67.49.9-174.7-47.50000115.8A501 R516A501-S518 WeakPolarHBondContact O-CA 3.38Å; A501-S518 PolarHBondContact O-N 3.37Å; R516-S518 PolarHBondContact O-N 3.38Å
519E94.9Very high92.2Very high38 Ų3867.4 Ų67.418%0.17838%0.377CS..  trans-70.8140.7172.9-171.8174.2177.900112T500 A501 R516 Q517 L521 R537T500-E519 WeakPolarHBondContact CA-O 3.37Å; A501-E519 HydrophobicContact CB-CB 4.23Å; A501-E519 PolarHBondContact N-O 3.28Å; R516-E519 PolarHBondContact N-OE2 3.21Å; R516-E519 WeakPolarHBondContact O-CB 3.34Å; R516-E519 PolarHBondContact O-N 3.02Å; Q517-E519 PolarHBondContact O-N 2.97Å; E519-L521 HydrophobicContact CG-CD2 4.42Å; E519-R537 IonicContact OE1-CZ 2.69Å; E519-R537 IonicContact OE1-NE 2.79Å; E519-R537 IonicContact OE1-NH1 3.42Å; E519-R537 PolarHBondContact OE1-NH1 2.97Å; E519-R537 IonicContact OE1-NH2 3.91Å; E519-R537 PolarHBondContact OE1-NH2 2.94Å; E519-R537 VanDerWaalsContact OE1-NH2 3.17Å; E519-R537 IonicContact OE2-CZ 3.52Å; E519-R537 IonicContact OE2-NH1 3.57Å; E519-R537 IonicContact OE2-NH2 2.73Å; E519-R537 PolarHBondContact OE2-NH2 3.11Å
520Q94.9Very high92.7Very high94 Ų9469.4 Ų69.444%0.43938%0.384SS..EExtended strand (participates in β ladder)trans-98.7130178.4-67.7-66.9-35.200111.2T500T500-Q520 PolarHBondContact OG1-NE2 3.1Å; T500-Q520 PolarHBondContact OG1-OE1 3.12Å
521L95.5Very high93.1Very high2 Ų261.2 Ų61.21%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-134.1160.1-174.9-59.1162.6000110.4K498 A499 I515 E519 V535 R537 L553K498-L521 CarbonylContact C-O 3.4Å; K498-L521 WeakPolarHBondContact CA-O 3.44Å; A499-L521 HydrophobicContact CB-CB 4.42Å; A499-L521 PolarHBondContact N-O 3.28Å; A499-L521 PolarHBondContact O-N 3.32Å; I515-L521 HydrophobicContact CB-CD1 4.43Å; I515-L521 HydrophobicContact CG2-CD1 3.6Å; I515-L521 HydrophobicContact CG2-CD2 4.48Å; E519-L521 HydrophobicContact CG-CD2 4.42Å; L521-V535 HydrophobicContact CB-CB 4.18Å; L521-V535 HydrophobicContact CD1-CB 4.42Å; L521-V535 HydrophobicContact CD1-CG2 4.14Å; L521-R537 HydrophobicContact CD2-CG 3.74Å; L521-L553 HydrophobicContact CD1-CD2 4.21Å
522L95.7Very high93.4Very high28 Ų2862.9 Ų62.915%0.14735%0.345CS..EExtended strand (participates in β ladder)trans-103.2134.8175.3-62.1172.9000109.6I495 K498 V535 R536I495-L522 HydrophobicContact CD1-CD1 4.11Å; I495-L522 HydrophobicContact CG2-CB 4.07Å; I495-L522 HydrophobicContact CG2-CD2 4.14Å; K498-L522 HydrophobicContact CG-CD2 4.41Å; L522-V535 CarbonylContact O-C 3.5Å; L522-V535 WeakPolarHBondContact O-CA 3.5Å; L522-R536 HydrophobicContact CB-CB 4.46Å; L522-R536 PolarHBondContact N-O 3.41Å; L522-R536 PolarHBondContact O-N 3.14Å
523I95.7Very high93.6Very high0 Ų060.2 Ų60.20%033%0.332CS..EExtended strand (participates in β ladder)trans-85.6126-179-55.4167.8000109.2L496 G497 K498 A499 V526 T533 L555 F557L496-I523 HydrophobicContact CB-CB 4.3Å; L496-I523 HydrophobicContact CB-CG2 4.1Å; L496-I523 HydrophobicContact CD1-CG2 4.35Å; L496-I523 PolarHBondContact N-O 3.38Å; G497-I523 PolarHBondContact O-N 3.24Å; K498-I523 WeakPolarHBondContact O-CD1 3.48Å; A499-I523 HydrophobicContact CB-CD1 4.25Å; A499-I523 HydrophobicContact CB-CG1 3.84Å; I523-V526 HydrophobicContact CG2-CG2 4.3Å; I523-T533 HydrophobicContact CG2-CG2 4.25Å; I523-L555 HydrophobicContact CD1-CB 3.99Å; I523-L555 HydrophobicContact CD1-CD2 3.72Å; I523-L555 HydrophobicContact CD1-CG 4.34Å; I523-L555 HydrophobicContact CG1-CD2 4.2Å; I523-F557 HydrophobicContact CD1-CD1 4.31Å; I523-F557 HydrophobicContact CD1-CE1 3.95Å; I523-F557 HydrophobicContact CD1-CZ 4.45Å; I523-F557 HydrophobicContact CG2-CE1 4.4Å
524L93.9Very high93.7Very high12 Ų1261.8 Ų61.86%0.06334%0.339CS..EExtended strand (participates in β ladder)trans-104.2-42.7174-61.9-179.4000111.9I495 L496 K534 R536 E545I495-L524 HydrophobicContact CG1-CD2 4.48Å; L496-L524 VanDerWaalsContact CD1-O 3.31Å; L496-L524 WeakPolarHBondContact CD1-O 3.29Å; L524-K534 HydrophobicContact CB-CB 4.44Å; L524-K534 HydrophobicContact CB-CG 4.44Å; L524-K534 PolarHBondContact N-O 2.94Å; L524-R536 HydrophobicContact CD1-CB 3.93Å; L524-R536 HydrophobicContact CD2-CB 4.43Å; L524-R536 HydrophobicContact CG-CB 4.13Å; L524-E545 HydrophobicContact CD1-CB 4.45Å
525E93.6Very high93.8Very high100 Ų10059.5 Ų59.547%0.46732%0.323SS..EExtended strand (participates in β ladder)trans-138.6134.9178.4-62173.9-156.500109.9T533 K534E525-T533 VanDerWaalsContact O-CG2 3.28Å; E525-T533 WeakPolarHBondContact O-CG2 3.31Å; E525-K534 HydrophobicContact CB-CB 3.8Å; E525-K534 HydrophobicContact CG-CB 4.24Å; E525-K534 HydrophobicContact CG-CD 4.32Å; E525-K534 PolarHBondContact N-O 3.27Å; E525-K534 PolarHBondContact O-N 3.43Å; E525-K534 VanDerWaalsContact O-N 3.13Å
526V92.1Very high93.7Very high61 Ų6160.6 Ų60.637%0.3733%0.327SS..  trans-86148.5177.8-172.10000109.9L496 I523 T528 F557L496-V526 HydrophobicContact CD1-CG2 3.76Å; I523-V526 HydrophobicContact CG2-CG2 4.3Å; V526-T528 PolarHBondContact O-N 3.34Å; V526-F557 HydrophobicContact CG1-CZ 4.12Å; V526-F557 HydrophobicContact CG2-CE1 3.43Å; V526-F557 VanDerWaalsContact CG2-CE1 3.43Å; V526-F557 HydrophobicContact CG2-CZ 3.64Å
527D93.2Very high93.6Very high53 Ų5354.1 Ų54.128%0.28330%0.302SS..  trans-52.4128.3171.6-174.1-1000111.4G529 D530 G531 W532 S550D527-G529 WeakPolarHBondContact OD1-CA 3.41Å; D527-G529 PolarHBondContact OD1-N 2.9Å; D527-D530 PolarHBondContact OD1-N 3.22Å; D527-D530 VanDerWaalsContact OD1-OD1 3.14Å; D527-G531 PolarHBondContact OD1-N 2.96Å; D527-G531 VanDerWaalsContact OD2-CA 3.29Å; D527-G531 WeakPolarHBondContact OD2-CA 3.45Å; D527-G531 PolarHBondContact OD2-N 2.97Å; D527-W532 WeakPolarHBondContact CA-O 3.09Å; D527-S550 VanDerWaalsContact CB-OG 3.31Å; D527-S550 WeakPolarHBondContact CB-OG 3.4Å; D527-S550 WeakPolarHBondContact OD2-CB 3.47Å; D527-S550 PolarHBondContact OD2-OG 3.17Å
528T87.1Confident93.1Very high134 Ų13453.2 Ų53.282%0.82231%0.306SS*.SBendtrans-103.41017858.30000113V526V526-T528 PolarHBondContact O-N 3.34Å
529G87.1Confident92.5Very high73 Ų7356.9 Ų56.975%0.75331%0.31SS*.SBendtrans112.97.3-178.200000114.1D527D527-G529 WeakPolarHBondContact OD1-CA 3.41Å; D527-G529 PolarHBondContact OD1-N 2.9Å
530D91Very high91.8Very high101 Ų10160.6 Ų60.654%0.5434%0.337SS..SBendtrans-95.2-9.2175.667.3-6.8000112.9D527 W532D527-D530 PolarHBondContact OD1-N 3.22Å; D527-D530 VanDerWaalsContact OD1-OD1 3.14Å; D530-W532 VanDerWaalsContact O-CD1 3.26Å; D530-W532 PolarHBondContact OD1-N 3Å
531G92.4Very high91.1Very high30 Ų3058.5 Ų58.531%0.30933%0.332SS..SBendtrans8811176.300000114.4D527 P549 S550D527-G531 PolarHBondContact OD1-N 2.96Å; D527-G531 VanDerWaalsContact OD2-CA 3.29Å; D527-G531 WeakPolarHBondContact OD2-CA 3.45Å; D527-G531 PolarHBondContact OD2-N 2.97Å; G531-P549 WeakPolarHBondContact O-CA 3.47Å; G531-S550 VanDerWaalsContact C-OG 3.28Å; G531-S550 PolarHBondContact O-N 3.49Å; G531-S550 PolarHBondContact O-OG 3.31Å
532W95.5Very high90.1Very high80 Ų8064.7 Ų64.730%0.30337%0.373SS..EExtended strand (participates in β ladder)trans-123.2141-176.7-62.591.2000112.5F505 M512 D527 D530 F547 V548 P549 S550F505-W532 HydrophobicContact CE1-CZ3 4.39Å; F505-W532 HydrophobicContact CE2-CH2 4.43Å; F505-W532 AromaticContact CZ-CH2 4Å; F505-W532 HydrophobicContact CZ-CH2 4Å; F505-W532 AromaticContact CZ-CZ3 3.84Å; F505-W532 HydrophobicContact CZ-CZ3 3.84Å; M512-W532 HydrophobicContact CE-CE3 4.42Å; M512-W532 HydrophobicContact CE-CH2 3.39Å; M512-W532 HydrophobicContact CE-CZ2 3.72Å; M512-W532 HydrophobicContact CE-CZ3 3.78Å; M512-W532 HydrophobicContact CG-CZ3 4.35Å; M512-W532 HydrophobicContact SD-CH2 3.64Å; M512-W532 HydrophobicContact SD-CZ3 3.73Å; D527-W532 WeakPolarHBondContact CA-O 3.09Å; D530-W532 VanDerWaalsContact O-CD1 3.26Å; D530-W532 PolarHBondContact OD1-N 3Å; W532-F547 HydrophobicContact CB-CD1 4.19Å; W532-F547 HydrophobicContact CE3-CB 4.17Å; W532-V548 VanDerWaalsContact CE3-C 3.45Å; W532-P549 HydrophobicContact CE3-CG 4.29Å; W532-P549 HydrophobicContact CH2-CG 3.98Å; W532-P549 HydrophobicContact CZ3-CB 4.49Å; W532-P549 HydrophobicContact CZ3-CG 3.69Å; W532-S550 WeakPolarHBondContact CA-OG 3.37Å; W532-S550 PolarHBondContact N-OG 2.91Å; W532-S550 PolarHBondContact O-OG 3.06Å
533T95.9Very high89.2Confident0 Ų067.6 Ų67.60%039%0.389CS..EExtended strand (participates in β ladder)trans-121.5131.3176.6-62.90000109.4I523 E525 V535 F547 V548 S550 L553 L555I523-T533 HydrophobicContact CG2-CG2 4.25Å; E525-T533 VanDerWaalsContact O-CG2 3.28Å; E525-T533 WeakPolarHBondContact O-CG2 3.31Å; T533-V535 HydrophobicContact CG2-CG1 3.96Å; T533-F547 WeakPolarHBondContact O-CA 3.36Å; T533-V548 PolarHBondContact N-O 2.89Å; T533-V548 PolarHBondContact O-N 3.28Å; T533-S550 PolarHBondContact N-OG 2.86Å; T533-S550 WeakPolarHBondContact OG1-CB 3.47Å; T533-S550 PolarHBondContact OG1-OG 3.05Å; T533-L553 HydrophobicContact CG2-CD1 3.88Å; T533-L555 HydrophobicContact CG2-CD2 4.43Å
534K96.1Very high88.7Confident38 Ų3871.9 Ų71.917%0.16541%0.405CS..EExtended strand (participates in β ladder)trans-85123.8176.5-161.9179.3177.7-174.50109.7L524 E525 E545 F547L524-K534 HydrophobicContact CB-CB 4.44Å; L524-K534 HydrophobicContact CB-CG 4.44Å; L524-K534 PolarHBondContact N-O 2.94Å; E525-K534 HydrophobicContact CB-CB 3.8Å; E525-K534 HydrophobicContact CG-CB 4.24Å; E525-K534 HydrophobicContact CG-CD 4.32Å; E525-K534 PolarHBondContact N-O 3.27Å; E525-K534 PolarHBondContact O-N 3.43Å; E525-K534 VanDerWaalsContact O-N 3.13Å; K534-E545 IonicContact NZ-OE1 2.93Å; K534-F547 HydrophobicContact CB-CD1 3.92Å; K534-F547 HydrophobicContact CB-CE1 3.62Å; K534-F547 HydrophobicContact CB-CZ 4.15Å; K534-F547 HydrophobicContact CD-CE1 4.28Å; K534-F547 HydrophobicContact CD-CE2 4.41Å; K534-F547 HydrophobicContact CD-CZ 3.93Å; K534-F547 HydrophobicContact CG-CD1 4.33Å; K534-F547 HydrophobicContact CG-CE1 4.01Å; K534-F547 HydrophobicContact CG-CE2 4.43Å; K534-F547 HydrophobicContact CG-CZ 4.05Å
535V95.2Very high88.6Confident0 Ų074.4 Ų74.40%042%0.417CS..EExtended strand (participates in β ladder)trans-130.7157.4-173.9-64.40000111.9I513 L521 L522 T533 E545 G546 V548 L553I513-V535 HydrophobicContact CD1-CG2 3.7Å; I513-V535 HydrophobicContact CG1-CG2 4.28Å; L521-V535 HydrophobicContact CB-CB 4.18Å; L521-V535 HydrophobicContact CD1-CB 4.42Å; L521-V535 HydrophobicContact CD1-CG2 4.14Å; L522-V535 CarbonylContact O-C 3.5Å; L522-V535 WeakPolarHBondContact O-CA 3.5Å; T533-V535 HydrophobicContact CG2-CG1 3.96Å; V535-E545 VanDerWaalsContact O-CA 3.29Å; V535-E545 WeakPolarHBondContact O-CA 3.39Å; V535-G546 WeakPolarHBondContact CG2-O 3.45Å; V535-G546 PolarHBondContact N-O 3.3Å; V535-G546 PolarHBondContact O-N 3.23Å; V535-V548 HydrophobicContact CG1-CG2 4.03Å; V535-V548 HydrophobicContact CG2-CG1 4.06Å; V535-V548 HydrophobicContact CG2-CG2 3.68Å; V535-L553 HydrophobicContact CG1-CD1 3.82Å
536R94.1Very high88.6Confident26 Ų2669.8 Ų69.810%0.09840%0.396CS..EExtended strand (participates in β ladder)trans-130.2141.4177.8179.1-176.7-71.3165.51.2111.3T493 L522 L524 Y544 E545T493-R536 PolarHBondContact OG1-NH1 2.97Å; T493-R536 PolarHBondContact OG1-NH2 3.39Å; L522-R536 HydrophobicContact CB-CB 4.46Å; L522-R536 PolarHBondContact N-O 3.41Å; L522-R536 PolarHBondContact O-N 3.14Å; L524-R536 HydrophobicContact CD1-CB 3.93Å; L524-R536 HydrophobicContact CD2-CB 4.43Å; L524-R536 HydrophobicContact CG-CB 4.13Å; R536-Y544 WeakPolarHBondContact CA-O 3.47Å; R536-Y544 HydrophobicContact CG-CD1 4.38Å; R536-Y544 HydrophobicContact CG-CE1 4.05Å; R536-Y544 HydrophobicContact CG-CE2 4.18Å; R536-E545 HydrophobicContact CB-CB 4.22Å; R536-E545 HydrophobicContact CG-CB 4.39Å; R536-E545 IonicContact CZ-OE2 3.17Å; R536-E545 IonicContact NE-OE2 3.57Å; R536-E545 PolarHBondContact NE-OE2 3.01Å; R536-E545 IonicContact NH2-OE2 3.87Å; R536-E545 PolarHBondContact NH2-OE2 2.96Å
537R92.4Very high88.8Confident55 Ų5570.4 Ų70.421%0.20839%0.394CS..EExtended strand (participates in β ladder)trans-79146.4174.2-72.1173174.5-98.4-6.1111S514 E519 L521 K539 C541 D543 Y544S514-R537 PolarHBondContact O-NH2 3.45Å; E519-R537 IonicContact OE1-CZ 2.69Å; E519-R537 IonicContact OE1-NE 2.79Å; E519-R537 IonicContact OE1-NH1 3.42Å; E519-R537 PolarHBondContact OE1-NH1 2.97Å; E519-R537 IonicContact OE1-NH2 3.91Å; E519-R537 PolarHBondContact OE1-NH2 2.94Å; E519-R537 VanDerWaalsContact OE1-NH2 3.17Å; E519-R537 IonicContact OE2-CZ 3.52Å; E519-R537 IonicContact OE2-NH1 3.57Å; E519-R537 IonicContact OE2-NH2 2.73Å; E519-R537 PolarHBondContact OE2-NH2 3.11Å; L521-R537 HydrophobicContact CD2-CG 3.74Å; R537-K539 PolarHBondContact O-N 3.41Å; R537-C541 WeakPolarHBondContact CD-SG 3.43Å; R537-D543 WeakPolarHBondContact CD-O 3.47Å; R537-Y544 PolarHBondContact N-O 3.45Å; R537-Y544 VanDerWaalsContact O-CE2 3.3Å; R537-Y544 WeakPolarHBondContact O-CE2 3.39Å
538T85Confident88.9Confident102 Ų10267.9 Ų67.963%0.62638%0.381SS*.SBendtrans-69.9-22.6179.8-36.20000113.1
539K81.1Confident89.3Confident168 Ų16862.1 Ų62.173%0.7335%0.346SS*.SBendtrans-110.8137.9178.2-67.4-177-178.4176.70109.9R537 C541R537-K539 PolarHBondContact O-N 3.41Å; K539-C541 PolarHBondContact O-N 2.83Å
540P80.2Confident89.7Confident115 Ų11559.6 Ų59.675%0.74732%0.316SS*.  trans-58.3124.6172.1-21.131.9000111.3Y544P540-Y544 HydrophobicContact CB-CE2 4.47Å
541C80.1Confident90Very high50 Ų5059 Ų5934%0.33832%0.32SS..  trans-150.1168.5174.464.20000109.3R537 K539 D543 Y544R537-C541 WeakPolarHBondContact CD-SG 3.43Å; K539-C541 PolarHBondContact O-N 2.83Å; C541-D543 PolarHBondContact O-N 3.42Å; C541-Y544 WeakPolarHBondContact O-CA 3.39Å; C541-Y544 VanDerWaalsContact O-CB 3.27Å; C541-Y544 WeakPolarHBondContact O-CB 3.42Å; C541-Y544 PolarHBondContact O-N 3.45Å; C541-Y544 VanDerWaalsContact O-N 3.14Å
542P74.8Confident90.2Very high133 Ų13361.5 Ų61.586%0.86432%0.321SS*.THydrogen-bonded Turntrans-55.9-38.3-179.1-24.534.1000113.3Y544P542-Y544 VanDerWaalsContact C-N 3.27Å; P542-Y544 PolarHBondContact O-N 2.98Å
543D76.3Confident90.2Very high89 Ų8958.3 Ų58.348%0.47631%0.31SS..THydrogen-bonded Turntrans-93.649.7176.9-54.1-27.7000110.8I513 R537 C541 E545I513-D543 HydrophobicContact CB-CB 4.38Å; I513-D543 HydrophobicContact CG2-CB 3.97Å; R537-D543 WeakPolarHBondContact CD-O 3.47Å; C541-D543 PolarHBondContact O-N 3.42Å; D543-E545 VanDerWaalsContact C-N 3.33Å; D543-E545 PolarHBondContact O-N 3.07Å
544Y85.7Confident90.3Very high90 Ų9065 Ų6535%0.35334%0.339SS..  trans-62.4-38.1-168.5-172.8-128.1000113.3R536 R537 P540 C541 P542R536-Y544 WeakPolarHBondContact CA-O 3.47Å; R536-Y544 HydrophobicContact CG-CD1 4.38Å; R536-Y544 HydrophobicContact CG-CE1 4.05Å; R536-Y544 HydrophobicContact CG-CE2 4.18Å; R537-Y544 PolarHBondContact N-O 3.45Å; R537-Y544 VanDerWaalsContact O-CE2 3.3Å; R537-Y544 WeakPolarHBondContact O-CE2 3.39Å; P540-Y544 HydrophobicContact CB-CE2 4.47Å; C541-Y544 WeakPolarHBondContact O-CA 3.39Å; C541-Y544 VanDerWaalsContact O-CB 3.27Å; C541-Y544 WeakPolarHBondContact O-CB 3.42Å; C541-Y544 PolarHBondContact O-N 3.45Å; C541-Y544 VanDerWaalsContact O-N 3.14Å; P542-Y544 VanDerWaalsContact C-N 3.27Å; P542-Y544 PolarHBondContact O-N 2.98Å
545E91.8Very high90.2Very high64 Ų6466.1 Ų66.130%0.29935%0.346SS..EExtended strand (participates in β ladder)trans-146.4152.9178.361.2171.9-12300112.3I513 L524 K534 V535 R536 D543I513-E545 WeakPolarHBondContact CG2-O 3.48Å; L524-E545 HydrophobicContact CD1-CB 4.45Å; K534-E545 IonicContact NZ-OE1 2.93Å; V535-E545 VanDerWaalsContact O-CA 3.29Å; V535-E545 WeakPolarHBondContact O-CA 3.39Å; R536-E545 HydrophobicContact CB-CB 4.22Å; R536-E545 HydrophobicContact CG-CB 4.39Å; R536-E545 IonicContact CZ-OE2 3.17Å; R536-E545 IonicContact NE-OE2 3.57Å; R536-E545 PolarHBondContact NE-OE2 3.01Å; R536-E545 IonicContact NH2-OE2 3.87Å; R536-E545 PolarHBondContact NH2-OE2 2.96Å; D543-E545 VanDerWaalsContact C-N 3.33Å; D543-E545 PolarHBondContact O-N 3.07Å
546G93.9Very high90.2Very high4 Ų471.9 Ų71.94%0.04137%0.373CS..EExtended strand (participates in β ladder)trans168.5-167.9173.700000112.8G511 V535G511-G546 CarbonylContact O-C 3.5Å; G511-G546 VanDerWaalsContact O-CA 3.31Å; G511-G546 WeakPolarHBondContact O-CA 3.22Å; V535-G546 WeakPolarHBondContact CG2-O 3.45Å; V535-G546 PolarHBondContact N-O 3.3Å; V535-G546 PolarHBondContact O-N 3.23Å
547F95.5Very high90.1Very high73 Ų7373.9 Ų73.932%0.3238%0.383SS..EExtended strand (participates in β ladder)trans-96.2142.7-175.2-66.3-85.4000112.5G511 M512 I513 W532 T533 K534G511-F547 PolarHBondContact O-N 3.19Å; M512-F547 WeakPolarHBondContact CA-O 3.48Å; I513-F547 PolarHBondContact N-O 3.04Å; W532-F547 HydrophobicContact CB-CD1 4.19Å; W532-F547 HydrophobicContact CE3-CB 4.17Å; T533-F547 WeakPolarHBondContact O-CA 3.36Å; K534-F547 HydrophobicContact CB-CD1 3.92Å; K534-F547 HydrophobicContact CB-CE1 3.62Å; K534-F547 HydrophobicContact CB-CZ 4.15Å; K534-F547 HydrophobicContact CD-CE1 4.28Å; K534-F547 HydrophobicContact CD-CE2 4.41Å; K534-F547 HydrophobicContact CD-CZ 3.93Å; K534-F547 HydrophobicContact CG-CD1 4.33Å; K534-F547 HydrophobicContact CG-CE1 4.01Å; K534-F547 HydrophobicContact CG-CE2 4.43Å; K534-F547 HydrophobicContact CG-CZ 4.05Å
548V95.6Very high89.8Confident0 Ų077.7 Ų77.70%040%0.398CS..EExtended strand (participates in β ladder)trans-137153.3171.9-64.20000109.8F505 I513 I515 W532 T533 V535 S550 L553F505-V548 HydrophobicContact CD1-CG1 4.28Å; I513-V548 HydrophobicContact CD1-CG1 4.46Å; I513-V548 HydrophobicContact CG1-CG1 3.68Å; I515-V548 HydrophobicContact CD1-CB 4.07Å; I515-V548 HydrophobicContact CD1-CG1 4.02Å; I515-V548 HydrophobicContact CD1-CG2 4.39Å; I515-V548 HydrophobicContact CG1-CG1 4.19Å; I515-V548 HydrophobicContact CG2-CG1 3.78Å; W532-V548 VanDerWaalsContact CE3-C 3.45Å; T533-V548 PolarHBondContact N-O 2.89Å; T533-V548 PolarHBondContact O-N 3.28Å; V535-V548 HydrophobicContact CG1-CG2 4.03Å; V535-V548 HydrophobicContact CG2-CG1 4.06Å; V535-V548 HydrophobicContact CG2-CG2 3.68Å; V548-S550 PolarHBondContact O-N 3.47Å; V548-L553 HydrophobicContact CG2-CD1 3.56Å; V548-L553 HydrophobicContact CG2-CD2 4.03Å; V548-L553 HydrophobicContact CG2-CG 3.95Å
549P96.2Very high89.3Confident14 Ų1475.9 Ų75.99%0.09140%0.4CS..EExtended strand (participates in β ladder)trans-61.5131.8179.7-20.731.9000111F505 G531 W532 S551 Y552F505-P549 HydrophobicContact CD2-CG 3.75Å; F505-P549 HydrophobicContact CE1-CG 4.49Å; F505-P549 HydrophobicContact CE2-CG 3.59Å; F505-P549 HydrophobicContact CG-CG 4.28Å; F505-P549 HydrophobicContact CZ-CG 4Å; G531-P549 WeakPolarHBondContact O-CA 3.47Å; W532-P549 HydrophobicContact CE3-CG 4.29Å; W532-P549 HydrophobicContact CH2-CG 3.98Å; W532-P549 HydrophobicContact CZ3-CB 4.49Å; W532-P549 HydrophobicContact CZ3-CG 3.69Å; P549-S551 PolarHBondContact O-N 3.46Å; P549-Y552 HydrophobicContact CB-CD2 3.76Å; P549-Y552 HydrophobicContact CB-CE2 4.37Å; P549-Y552 HydrophobicContact CB-CG 4.25Å; P549-Y552 HydrophobicContact CG-CD2 4.19Å; P549-Y552 HydrophobicContact CG-CG 4.44Å; P549-Y552 WeakPolarHBondContact O-CB 3.43Å; P549-Y552 PolarHBondContact O-N 3.37Å
550S95.7Very high88.1Confident19 Ų1974.1 Ų74.113%0.13340%0.399CS..G310 helixtrans-63.5-32.3-177.3-54.10000112.3D527 G531 W532 T533 V548 Y552 L553D527-S550 VanDerWaalsContact CB-OG 3.31Å; D527-S550 WeakPolarHBondContact CB-OG 3.4Å; D527-S550 WeakPolarHBondContact OD2-CB 3.47Å; D527-S550 PolarHBondContact OD2-OG 3.17Å; G531-S550 VanDerWaalsContact C-OG 3.28Å; G531-S550 PolarHBondContact O-N 3.49Å; G531-S550 PolarHBondContact O-OG 3.31Å; W532-S550 WeakPolarHBondContact CA-OG 3.37Å; W532-S550 PolarHBondContact N-OG 2.91Å; W532-S550 PolarHBondContact O-OG 3.06Å; T533-S550 PolarHBondContact N-OG 2.86Å; T533-S550 WeakPolarHBondContact OG1-CB 3.47Å; T533-S550 PolarHBondContact OG1-OG 3.05Å; V548-S550 PolarHBondContact O-N 3.47Å; S550-Y552 PolarHBondContact O-N 2.95Å; S550-Y552 VanDerWaalsContact O-N 3.16Å; S550-L553 PolarHBondContact O-N 3.06Å; S550-L553 VanDerWaalsContact O-N 3.16Å
551S95.8Very high86.2Confident90 Ų9077.5 Ų77.563%0.62942%0.417SS*.G310 helixtrans-65.3-13.1174.856.90000114.3P549P549-S551 PolarHBondContact O-N 3.46Å
552Y97.2Very high86.5Confident81 Ų8178.9 Ų78.932%0.31842%0.421SS..G310 helixtrans-94.8-1178.7-79.2-127.2000112.4L502 Y503 D504 F505 P549 S550L502-Y552 PolarHBondContact N-O 3.37Å; Y503-Y552 HydrophobicContact CD2-CD1 4.32Å; Y503-Y552 HydrophobicContact CD2-CG 4.36Å; Y503-Y552 HydrophobicContact CG-CD1 4.49Å; D504-Y552 WeakPolarHBondContact O-CE1 3.43Å; F505-Y552 HydrophobicContact CB-CD1 3.85Å; F505-Y552 HydrophobicContact CB-CE1 4.11Å; P549-Y552 HydrophobicContact CB-CD2 3.76Å; P549-Y552 HydrophobicContact CB-CE2 4.37Å; P549-Y552 HydrophobicContact CB-CG 4.25Å; P549-Y552 HydrophobicContact CG-CD2 4.19Å; P549-Y552 HydrophobicContact CG-CG 4.44Å; P549-Y552 WeakPolarHBondContact O-CB 3.43Å; P549-Y552 PolarHBondContact O-N 3.37Å; S550-Y552 PolarHBondContact O-N 2.95Å; S550-Y552 VanDerWaalsContact O-N 3.16Å
553L96.9Very high87.1Confident14 Ų1476 Ų767%0.07340%0.398CS..EExtended strand (participates in β ladder)trans-116.4143.9-175.9-61.1-178.9000111.8A499 A501 I515 L521 T533 V535 V548 S550 L555A499-L553 HydrophobicContact CB-CB 4.41Å; A499-L553 HydrophobicContact CB-CD1 4.07Å; A499-L553 HydrophobicContact CB-CD2 4.27Å; A501-L553 HydrophobicContact CB-CD2 4.49Å; I515-L553 HydrophobicContact CD1-CD2 4.06Å; L521-L553 HydrophobicContact CD1-CD2 4.21Å; T533-L553 HydrophobicContact CG2-CD1 3.88Å; V535-L553 HydrophobicContact CG1-CD1 3.82Å; V548-L553 HydrophobicContact CG2-CD1 3.56Å; V548-L553 HydrophobicContact CG2-CD2 4.03Å; V548-L553 HydrophobicContact CG2-CG 3.95Å; S550-L553 PolarHBondContact O-N 3.06Å; S550-L553 VanDerWaalsContact O-N 3.16Å; L553-L555 HydrophobicContact CB-CD2 3.71Å; L553-L555 HydrophobicContact CB-CG 4.48Å; L553-L555 HydrophobicContact CD1-CD2 3.87Å; L553-L555 HydrophobicContact CG-CD2 4.49Å
554K96.5Very high87.7Confident141 Ų14175.3 Ų75.361%0.61339%0.393SS*.EExtended strand (participates in β ladder)trans-99.7113.7158.3-177.3-176.6179.5-172.70108.3A499 T500 L502A499-K554 CarbonylContact C-O 3.57Å; A499-K554 WeakPolarHBondContact CA-O 3.49Å; T500-K554 PolarHBondContact N-O 2.88Å; T500-K554 PolarHBondContact O-N 3.32Å; L502-K554 HydrophobicContact CD1-CB 4.46Å; L502-K554 HydrophobicContact CD2-CB 4.01Å; L502-K554 HydrophobicContact CG-CB 4.25Å
555L95.1Very high87.8Confident61 Ų6174.4 Ų74.432%0.31940%0.396SS..EExtended strand (participates in β ladder)trans-92.1142.7-175.8-51.2179.6000111.5A499 I523 T533 L553 F557A499-L555 HydrophobicContact CB-CD2 3.78Å; I523-L555 HydrophobicContact CD1-CB 3.99Å; I523-L555 HydrophobicContact CD1-CD2 3.72Å; I523-L555 HydrophobicContact CD1-CG 4.34Å; I523-L555 HydrophobicContact CG1-CD2 4.2Å; T533-L555 HydrophobicContact CG2-CD2 4.43Å; L553-L555 HydrophobicContact CB-CD2 3.71Å; L553-L555 HydrophobicContact CB-CG 4.48Å; L553-L555 HydrophobicContact CD1-CD2 3.87Å; L553-L555 HydrophobicContact CG-CD2 4.49Å; L555-F557 HydrophobicContact CB-CE2 4.21Å; L555-F557 HydrophobicContact CB-CZ 4.28Å; L555-F557 HydrophobicContact CD1-CE2 4.48Å; L555-F557 HydrophobicContact CD1-CZ 4.05Å
556E93.6Very high87.6Confident121 Ų12175.1 Ų75.157%0.56540%0.402SS*.EExtended strand (participates in β ladder)trans-138.4107.1175.3-175.1179.2-170.900108.6G497 K498G497-E556 CarbonylContact C-O 3.59Å; G497-E556 VanDerWaalsContact CA-O 3.24Å; G497-E556 WeakPolarHBondContact CA-O 3.32Å; K498-E556 PolarHBondContact N-O 3.24Å; K498-E556 PolarHBondContact O-N 3.35Å
557F93.1Very high87.2Confident68 Ų6879.8 Ų79.830%0.29843%0.426SS..EExtended strand (participates in β ladder)trans-84.5146.1-176.3-65-73.2000112.1L496 I523 V526 L555 G559L496-F557 HydrophobicContact CB-CD1 4.24Å; L496-F557 HydrophobicContact CB-CE1 4.38Å; I523-F557 HydrophobicContact CD1-CD1 4.31Å; I523-F557 HydrophobicContact CD1-CE1 3.95Å; I523-F557 HydrophobicContact CD1-CZ 4.45Å; I523-F557 HydrophobicContact CG2-CE1 4.4Å; V526-F557 HydrophobicContact CG1-CZ 4.12Å; V526-F557 HydrophobicContact CG2-CE1 3.43Å; V526-F557 VanDerWaalsContact CG2-CE1 3.43Å; V526-F557 HydrophobicContact CG2-CZ 3.64Å; L555-F557 HydrophobicContact CB-CE2 4.21Å; L555-F557 HydrophobicContact CB-CZ 4.28Å; L555-F557 HydrophobicContact CD1-CE2 4.48Å; L555-F557 HydrophobicContact CD1-CZ 4.05Å; F557-G559 PolarHBondContact O-N 3.07Å
558Y86.1Confident86.6Confident134 Ų13480.3 Ų80.353%0.52543%0.433SS..THydrogen-bonded Turntrans-73112.2172.7-66-49.4000109.5I495 L496 K498I495-Y558 HydrophobicContact CG2-CD2 4.42Å; I495-Y558 HydrophobicContact CG2-CE2 3.74Å; L496-Y558 PolarHBondContact O-N 3.01Å; K498-Y558 HydrophobicContact CD-CE1 4.42Å; K498-Y558 WeakPolarHBondContact CE-OH 3.44Å; K498-Y558 HydrophobicContact CG-CE1 4.16Å; K498-Y558 WeakPolarHBondContact CG-OH 3.46Å
559G74.9Confident85.9Confident64 Ų6486.5 Ų86.566%0.6647%0.467SS*.THydrogen-bonded Turntrans122-9.918000000115.1F557 T561F557-G559 PolarHBondContact O-N 3.07Å; G559-T561 PolarHBondContact O-N 3.39Å
560D55.2Low85Confident132 Ų13292.5 Ų92.571%0.70650%0.498SS*.  trans-84.718.6177.3-79.3-16.3000114
561T40.4Very low84.1Confident185 Ų18599.2 Ų99.2100%1.13553%0.531SS*.  trans-123.80169.2600000109.7G559G559-T561 PolarHBondContact O-N 3.39Å

Retrieved 561 of 561 residues in 286.1 ms (Link to these results)

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