G4LW91_SCHMA Loading...

Thimet oligopeptidase (M03 family)

AlphaFold DB , UniProt , Accession G4LW91, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 682 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
1M60.2Low79.3Confident156 Ų15652.5 Ų52.577%0.76830%0.297SS*.  0142.20-63.1177.6-154.200108.1N367 E369M1-N367 CarbonylContact C-O 3.54Å; M1-N367 WeakPolarHBondContact CA-O 3.47Å; M1-E369 HydrophobicContact CB-CB 3.98Å; M1-E369 HydrophobicContact CB-CG 4.26Å; M1-E369 HydrophobicContact SD-CB 4.36Å; M1-E369 HydrophobicContact SD-CG 4.04Å
2S60.2Low79.5Confident70 Ų7056 Ų5649%0.4933%0.327SS..BIsolated β-bridgetrans-116.8137.9174.454.90000110.1A4 N367S2-A4 PolarHBondContact O-N 3.46Å; S2-N367 PolarHBondContact N-O 3.01Å
3V69.2Low79.9Confident59 Ų5953.2 Ų53.236%0.35831%0.311SS..PPolyproline II helixtrans-66.5126.3170.3-177.90000108.1C7 E369V3-C7 HydrophobicContact CG1-CB 4.08Å; V3-C7 WeakPolarHBondContact CG1-O 3.19Å; V3-E369 VanDerWaalsContact CG2-OE2 3.3Å; V3-E369 WeakPolarHBondContact CG2-OE2 3.5Å
4A75.9Confident80.9Confident13 Ų1353.1 Ų53.111%0.10732%0.315CS..PPolyproline II helixtrans-64147.917700000110.8S2 G6 C7 M377 Y391S2-A4 PolarHBondContact O-N 3.46Å; A4-G6 PolarHBondContact O-N 3.1Å; A4-C7 HydrophobicContact CB-CB 4.15Å; A4-C7 VanDerWaalsContact O-CB 3.22Å; A4-C7 WeakPolarHBondContact O-CB 3.45Å; A4-C7 PolarHBondContact O-N 3.43Å; A4-M377 HydrophobicContact CB-CE 3.71Å; A4-M377 HydrophobicContact CB-SD 4.34Å; A4-Y391 HydrophobicContact CB-CD1 4.38Å; A4-Y391 HydrophobicContact CB-CE1 3.83Å; A4-Y391 HydrophobicContact CB-CE2 4.13Å
5S80.7Confident81.9Confident98 Ų9853.6 Ų53.669%0.68532%0.318SS*.THydrogen-bonded Turntrans-56.7131.8-179.6-170.70000111.5C7 Y391S5-C7 PolarHBondContact O-N 2.62Å; S5-Y391 WeakPolarHBondContact O-CE2 3.49Å; S5-Y391 PolarHBondContact O-OH 3.27Å
6G82.6Confident82.8Confident15 Ų1553.3 Ų53.316%0.15533%0.329CS..THydrogen-bonded Turntrans72.3-1.7-177.300000115.7A4 Q412A4-G6 PolarHBondContact O-N 3.1Å; G6-Q412 PolarHBondContact O-NE2 2.8Å; G6-Q412 VanDerWaalsContact O-NE2 3.09Å
7C86.6Confident83.6Confident2 Ų254.4 Ų54.41%0.01433%0.333CS..  trans-80.6121.5168.1-177.70000109.9V3 A4 S5 I444V3-C7 HydrophobicContact CG1-CB 4.08Å; V3-C7 WeakPolarHBondContact CG1-O 3.19Å; A4-C7 HydrophobicContact CB-CB 4.15Å; A4-C7 VanDerWaalsContact O-CB 3.22Å; A4-C7 WeakPolarHBondContact O-CB 3.45Å; A4-C7 PolarHBondContact O-N 3.43Å; S5-C7 PolarHBondContact O-N 2.62Å; C7-I444 HydrophobicContact CB-CD1 3.68Å; C7-I444 WeakPolarHBondContact SG-CD1 3.42Å
8R85.8Confident84.3Confident44 Ų4451.4 Ų51.417%0.16631%0.314CS..  trans-96-4.9178-57.4172.7177.7-163.2-10.1112.6T59 Q412 S418 M419 Q441R8-T59 HydrophobicContact CB-CG2 3.95Å; R8-Q412 VanDerWaalsContact CB-OE1 3.29Å; R8-Q412 VanDerWaalsContact N-OE1 3.07Å; R8-S418 PolarHBondContact NH2-O 2.94Å; R8-M419 HydrophobicContact CG-CE 4.29Å; R8-M419 PolarHBondContact NH2-SD 3.47Å; R8-Q441 VanDerWaalsContact CZ-OE1 3.29Å
9L91.1Very high84.9Confident2 Ų252.3 Ų52.31%0.0132%0.32CS..  trans-81.1138.3-176.6-52.3169.9000110.4W11 T59 A63 L411 I444L9-W11 HydrophobicContact CB-CH2 3.97Å; L9-W11 HydrophobicContact CB-CZ2 3.64Å; L9-W11 HydrophobicContact CD1-CH2 3.89Å; L9-W11 HydrophobicContact CD1-CZ2 3.58Å; L9-W11 HydrophobicContact CD2-CH2 4.34Å; L9-W11 HydrophobicContact CG-CH2 4.29Å; L9-W11 HydrophobicContact CG-CZ2 4.15Å; L9-T59 HydrophobicContact CD2-CG2 3.98Å; L9-A63 HydrophobicContact CD2-CB 3.89Å; L9-L411 HydrophobicContact CD1-CB 3.5Å; L9-L411 HydrophobicContact CD1-CD1 3.96Å; L9-L411 HydrophobicContact CD1-CG 4.37Å; L9-L411 HydrophobicContact CD2-CB 4.44Å; L9-I444 HydrophobicContact CD1-CB 4.09Å; L9-I444 HydrophobicContact CD1-CD1 4.14Å; L9-I444 HydrophobicContact CD1-CG2 3.73Å
10K88.2Confident85.5Confident113 Ų11357.3 Ų57.349%0.49134%0.337SS..  trans-126.6126.5174.8-64.8-175.5-179.5-177.80108.9
11W91.6Very high86Confident6 Ų656.8 Ų56.82%0.02333%0.329CS..  trans-103.2-19.2-177.4-52.2125.3000112.4L9 T13 F66 F71 E369 W371 Y393 L411L9-W11 HydrophobicContact CB-CH2 3.97Å; L9-W11 HydrophobicContact CB-CZ2 3.64Å; L9-W11 HydrophobicContact CD1-CH2 3.89Å; L9-W11 HydrophobicContact CD1-CZ2 3.58Å; L9-W11 HydrophobicContact CD2-CH2 4.34Å; L9-W11 HydrophobicContact CG-CH2 4.29Å; L9-W11 HydrophobicContact CG-CZ2 4.15Å; W11-T13 VanDerWaalsContact C-N 3.27Å; W11-T13 PolarHBondContact O-N 3.37Å; W11-F66 AromaticContact CH2-CD1 3.9Å; W11-F66 HydrophobicContact CH2-CD1 3.9Å; W11-F66 HydrophobicContact CZ3-CB 4.48Å; W11-F66 AromaticContact CZ3-CD1 3.89Å; W11-F66 HydrophobicContact CZ3-CD1 3.89Å; W11-F71 HydrophobicContact CB-CZ 4.06Å; W11-F71 HydrophobicContact CE3-CE2 4.34Å; W11-F71 HydrophobicContact CE3-CZ 4.43Å; W11-F71 VanDerWaalsContact O-CE1 3.27Å; W11-F71 WeakPolarHBondContact O-CE1 3.39Å; W11-F71 WeakPolarHBondContact O-CZ 3.26Å; W11-E369 HydrophobicContact CB-CG 4.25Å; W11-E369 VanDerWaalsContact CD1-O 3.24Å; W11-E369 PolarHBondContact N-OE1 3.22Å; W11-W371 HydrophobicContact CB-CB 4.48Å; W11-W371 AromaticContact CD1-CE3 3.99Å; W11-W371 AromaticContact CD2-CE3 3.79Å; W11-W371 HydrophobicContact CD2-CE3 3.79Å; W11-W371 HydrophobicContact CD2-CZ3 4.24Å; W11-W371 AromaticContact CE2-CE3 3.7Å; W11-W371 AromaticContact CE2-CZ3 3.66Å; W11-W371 HydrophobicContact CE3-CE3 4.36Å; W11-W371 AromaticContact CG-CE3 3.97Å; W11-W371 HydrophobicContact CG-CE3 3.97Å; W11-W371 HydrophobicContact CH2-CZ3 4.46Å; W11-W371 HydrophobicContact CZ2-CE3 4.18Å; W11-W371 AromaticContact CZ2-CZ3 3.78Å; W11-W371 HydrophobicContact CZ2-CZ3 3.78Å; W11-W371 AromaticContact NE1-CE3 3.81Å; W11-W371 AromaticContact NE1-CZ3 3.78Å; W11-Y393 HydrophobicContact CZ2-CE2 4.29Å; W11-Y393 AromaticContact NE1-CZ 3.52Å; W11-Y393 PolarHBondContact NE1-OH 3.18Å; W11-Y393 VanDerWaalsContact NE1-OH 3.11Å; W11-L411 HydrophobicContact CH2-CD1 3.89Å; W11-L411 HydrophobicContact CH2-CD2 4.43Å; W11-L411 HydrophobicContact CZ2-CD1 3.84Å
12S81.9Confident87.8Confident94 Ų9449.5 Ų49.566%0.65729%0.293SS*.  trans-71.383.6169.4-51.90000109.2E369S12-E369 WeakPolarHBondContact CB-OE1 3.44Å; S12-E369 PolarHBondContact N-OE1 2.86Å; S12-E369 PolarHBondContact OG-OE1 3.3Å
13T84.4Confident89.6Confident19 Ų1948.9 Ų48.912%0.11729%0.289CS..  trans-126.9140.1-176.1-164.80000111.4W11 I18 F71 I76W11-T13 VanDerWaalsContact C-N 3.27Å; W11-T13 PolarHBondContact O-N 3.37Å; T13-I18 HydrophobicContact CG2-CD1 4.05Å; T13-I18 HydrophobicContact CG2-CG1 4.22Å; T13-F71 HydrophobicContact CG2-CE1 3.93Å; T13-F71 HydrophobicContact CG2-CZ 4.27Å; T13-I76 HydrophobicContact CG2-CG2 4.25Å; T13-I76 WeakPolarHBondContact O-CD1 3.49Å
14S94.1Very high91Very high52 Ų5248.2 Ų48.236%0.36429%0.29SS..  trans-96.5168.8165.572.30000111.2G16 D17 I18S14-G16 PolarHBondContact O-N 3.05Å; S14-G16 PolarHBondContact OG-N 2.73Å; S14-D17 WeakPolarHBondContact CB-OD2 3.49Å; S14-D17 PolarHBondContact N-OD2 3.04Å; S14-D17 PolarHBondContact O-N 3.32Å; S14-D17 PolarHBondContact OG-N 3.28Å; S14-D17 VanDerWaalsContact OG-N 3.11Å; S14-D17 PolarHBondContact OG-OD2 3.5Å; S14-I18 PolarHBondContact O-N 3.05Å; S14-I18 VanDerWaalsContact O-N 3.14Å
15V96.3Very high92Very high61 Ų6148 Ų4837%0.3729%0.287SS..Hα-helixtrans-56.8-41.9169.4170.70000111D17 I18 V19 A75 I76 A79V15-D17 VanDerWaalsContact C-N 3.33Å; V15-D17 PolarHBondContact O-N 3.05Å; V15-I18 PolarHBondContact O-N 3.34Å; V15-V19 WeakPolarHBondContact O-CG2 3.45Å; V15-V19 PolarHBondContact O-N 2.9Å; V15-V19 VanDerWaalsContact O-N 3.15Å; V15-A75 HydrophobicContact CG2-CB 4.06Å; V15-A75 WeakPolarHBondContact CG2-O 3.26Å; V15-I76 HydrophobicContact CG2-CG1 4.36Å; V15-A79 HydrophobicContact CB-CB 4.33Å; V15-A79 HydrophobicContact CG1-CB 3.85Å; V15-A79 HydrophobicContact CG2-CB 4.15Å
16G96.6Very high92.8Very high48 Ų4844.2 Ų44.250%0.49526%0.259SS..Hα-helixtrans-62.9-38.7178.200000112.7S14 V19 K20S14-G16 PolarHBondContact O-N 3.05Å; S14-G16 PolarHBondContact OG-N 2.73Å; G16-V19 PolarHBondContact O-N 3.3Å; G16-K20 WeakPolarHBondContact O-CB 3.48Å; G16-K20 PolarHBondContact O-N 2.75Å
17D95.3Very high93.5Very high73 Ų7348.6 Ų48.639%0.3928%0.279SS..Hα-helixtrans-65.7-44.1177.3-62.4-46.3000111.7S14 V15 V19 K20 R21S14-D17 WeakPolarHBondContact CB-OD2 3.49Å; S14-D17 PolarHBondContact N-OD2 3.04Å; S14-D17 PolarHBondContact O-N 3.32Å; S14-D17 PolarHBondContact OG-N 3.28Å; S14-D17 VanDerWaalsContact OG-N 3.11Å; S14-D17 PolarHBondContact OG-OD2 3.5Å; V15-D17 VanDerWaalsContact C-N 3.33Å; V15-D17 PolarHBondContact O-N 3.05Å; D17-V19 VanDerWaalsContact C-N 3.35Å; D17-V19 PolarHBondContact O-N 3.47Å; D17-K20 PolarHBondContact O-N 3.08Å; D17-R21 VanDerWaalsContact O-CB 3.32Å; D17-R21 WeakPolarHBondContact O-CB 3.49Å; D17-R21 WeakPolarHBondContact O-CG 3.47Å; D17-R21 PolarHBondContact O-N 2.97Å
18I96.1Very high94Very high0 Ų050.1 Ų50.10%028%0.284CS..Hα-helixtrans-57.1-49.5176.3-72.5171.4000110.3T13 S14 V15 K20 R21 T22 I64 I76 A79 A83T13-I18 HydrophobicContact CG2-CD1 4.05Å; T13-I18 HydrophobicContact CG2-CG1 4.22Å; S14-I18 PolarHBondContact O-N 3.05Å; S14-I18 VanDerWaalsContact O-N 3.14Å; V15-I18 PolarHBondContact O-N 3.34Å; I18-K20 PolarHBondContact O-N 3.29Å; I18-R21 PolarHBondContact O-N 3.45Å; I18-T22 WeakPolarHBondContact O-CB 3.39Å; I18-T22 PolarHBondContact O-N 3Å; I18-T22 PolarHBondContact O-OG1 2.99Å; I18-I64 HydrophobicContact CG2-CG2 4.25Å; I18-I76 HydrophobicContact CD1-CG2 3.8Å; I18-A79 HydrophobicContact CD1-CB 4.36Å; I18-A79 HydrophobicContact CG2-CB 4.25Å; I18-A83 HydrophobicContact CG2-CB 3.78Å
19V97.1Very high94.6Very high69 Ų6948 Ų4842%0.41828%0.276SS..Hα-helixtrans-61.7-44.1-179.41730000111.5V15 G16 D17 S23V15-V19 WeakPolarHBondContact O-CG2 3.45Å; V15-V19 PolarHBondContact O-N 2.9Å; V15-V19 VanDerWaalsContact O-N 3.15Å; G16-V19 PolarHBondContact O-N 3.3Å; D17-V19 VanDerWaalsContact C-N 3.35Å; D17-V19 PolarHBondContact O-N 3.47Å; V19-S23 PolarHBondContact O-N 3.43Å; V19-S23 VanDerWaalsContact O-N 3.15Å; V19-S23 PolarHBondContact O-OG 3.36Å
20K97Very high94.9Very high151 Ų15152.2 Ų52.266%0.65729%0.292SS*.Hα-helixtrans-64.7-48.7178.8-176.3-178.6176-175.90111.8G16 D17 I18 T22 S23 A24G16-K20 WeakPolarHBondContact O-CB 3.48Å; G16-K20 PolarHBondContact O-N 2.75Å; D17-K20 PolarHBondContact O-N 3.08Å; I18-K20 PolarHBondContact O-N 3.29Å; K20-T22 VanDerWaalsContact C-N 3.34Å; K20-T22 PolarHBondContact O-N 3.19Å; K20-S23 PolarHBondContact O-N 3.03Å; K20-A24 PolarHBondContact O-N 3.45Å
21R96.2Very high95.4Very high47 Ų4749.8 Ų49.818%0.17729%0.289CS..Hα-helixtrans-61.9-42179.3-70.117171.6-168.31.7111.4D17 I18 S23 A24 L25 E60 I64D17-R21 VanDerWaalsContact O-CB 3.32Å; D17-R21 WeakPolarHBondContact O-CB 3.49Å; D17-R21 WeakPolarHBondContact O-CG 3.47Å; D17-R21 PolarHBondContact O-N 2.97Å; I18-R21 PolarHBondContact O-N 3.45Å; R21-S23 PolarHBondContact O-N 3.44Å; R21-A24 PolarHBondContact O-N 2.99Å; R21-L25 WeakPolarHBondContact O-CB 3.38Å; R21-L25 PolarHBondContact O-N 3.45Å; R21-E60 IonicContact CZ-OE1 2.73Å; R21-E60 VanDerWaalsContact CZ-OE1 3.23Å; R21-E60 IonicContact CZ-OE2 2.73Å; R21-E60 IonicContact NE-OE1 2.98Å; R21-E60 PolarHBondContact NE-OE1 3.38Å; R21-E60 IonicContact NE-OE2 3.45Å; R21-E60 IonicContact NH2-OE1 3.86Å; R21-E60 PolarHBondContact NH2-OE1 3.16Å; R21-E60 IonicContact NH2-OE2 3.3Å; R21-E60 PolarHBondContact NH2-OE2 3.4Å; R21-I64 HydrophobicContact CB-CD1 3.92Å; R21-I64 HydrophobicContact CB-CG1 4.28Å
22T97.3Very high95.6Very high3 Ų350.4 Ų50.42%0.01829%0.294CS..Hα-helixtrans-57.2-49.7175.2-56.60000111.4I18 K20 A24 L25 I26 A83 K86 L87I18-T22 WeakPolarHBondContact O-CB 3.39Å; I18-T22 PolarHBondContact O-N 3Å; I18-T22 PolarHBondContact O-OG1 2.99Å; K20-T22 VanDerWaalsContact C-N 3.34Å; K20-T22 PolarHBondContact O-N 3.19Å; T22-A24 VanDerWaalsContact C-N 3.35Å; T22-A24 PolarHBondContact O-N 3.41Å; T22-L25 PolarHBondContact O-N 2.93Å; T22-I26 HydrophobicContact CG2-CD1 4.03Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 2.73Å; T22-A83 HydrophobicContact CG2-CB 4.04Å; T22-A83 WeakPolarHBondContact OG1-CB 3.16Å; T22-K86 HydrophobicContact CG2-CB 4.29Å; T22-K86 HydrophobicContact CG2-CD 4.44Å; T22-L87 HydrophobicContact CG2-CD2 4.21Å; T22-L87 HydrophobicContact CG2-CG 4.1Å
23S97.9Very high96.4Very high57 Ų5746.9 Ų46.940%0.39927%0.266SS..Hα-helixtrans-65-40.4-178.3-54.40000111.7V19 K20 R21 N27V19-S23 PolarHBondContact O-N 3.43Å; V19-S23 VanDerWaalsContact O-N 3.15Å; V19-S23 PolarHBondContact O-OG 3.36Å; K20-S23 PolarHBondContact O-N 3.03Å; R21-S23 PolarHBondContact O-N 3.44Å; S23-N27 PolarHBondContact O-N 2.99Å; S23-N27 PolarHBondContact O-ND2 2.9Å
24A97.4Very high97.1Very high46 Ų4649.9 Ų49.938%0.3828%0.281SS..Hα-helixtrans-63.9-44.2175.600000111.9K20 R21 T22 I26 N27 Y28K20-A24 PolarHBondContact O-N 3.45Å; R21-A24 PolarHBondContact O-N 2.99Å; T22-A24 VanDerWaalsContact C-N 3.35Å; T22-A24 PolarHBondContact O-N 3.41Å; A24-I26 PolarHBondContact O-N 3.39Å; A24-N27 PolarHBondContact O-N 3.28Å; A24-Y28 WeakPolarHBondContact O-CB 3.42Å; A24-Y28 PolarHBondContact O-N 2.84Å
25L97.1Very high97.3Very high8 Ų854.7 Ų54.74%0.04230%0.296CS..Hα-helixtrans-63.9-41.2-179.8-174.460.2000112R21 T22 Y28 A29 Y57 E60 R61 I64 L87R21-L25 WeakPolarHBondContact O-CB 3.38Å; R21-L25 PolarHBondContact O-N 3.45Å; T22-L25 PolarHBondContact O-N 2.93Å; L25-Y28 HydrophobicContact CD1-CD1 4.43Å; L25-Y28 PolarHBondContact O-N 3.13Å; L25-A29 WeakPolarHBondContact O-CB 3.34Å; L25-A29 PolarHBondContact O-N 3.42Å; L25-Y57 HydrophobicContact CD1-CD2 3.52Å; L25-Y57 HydrophobicContact CD1-CE2 4Å; L25-Y57 HydrophobicContact CD1-CG 4.32Å; L25-Y57 HydrophobicContact CD2-CD2 4.08Å; L25-Y57 HydrophobicContact CD2-CE2 3.9Å; L25-Y57 HydrophobicContact CG-CD2 3.72Å; L25-Y57 HydrophobicContact CG-CE2 3.64Å; L25-E60 HydrophobicContact CD1-CB 4.07Å; L25-E60 HydrophobicContact CD1-CG 4.04Å; L25-E60 HydrophobicContact CD2-CB 4.11Å; L25-E60 HydrophobicContact CD2-CG 3.94Å; L25-E60 HydrophobicContact CG-CG 4.4Å; L25-R61 HydrophobicContact CD2-CB 4.04Å; L25-I64 HydrophobicContact CD2-CD1 4.09Å; L25-L87 HydrophobicContact CB-CD2 4.44Å; L25-L87 HydrophobicContact CD2-CD1 4.32Å; L25-L87 HydrophobicContact CD2-CD2 3.86Å; L25-L87 HydrophobicContact CG-CD2 4.25Å
26I98Very high97.3Very high19 Ų1951.9 Ų51.910%0.09728%0.279CS..Hα-helixtrans-60.4-48.2175.1-70.3172.8000111.2T22 A24 Y28 A29 R30 K86 L87 V90T22-I26 HydrophobicContact CG2-CD1 4.03Å; T22-I26 VanDerWaalsContact O-CG1 3.3Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T22-I26 PolarHBondContact O-N 2.73Å; A24-I26 PolarHBondContact O-N 3.39Å; I26-Y28 VanDerWaalsContact C-N 3.34Å; I26-Y28 PolarHBondContact O-N 3.27Å; I26-A29 PolarHBondContact O-N 2.9Å; I26-R30 PolarHBondContact O-N 3.37Å; I26-R30 VanDerWaalsContact O-N 3.07Å; I26-K86 HydrophobicContact CD1-CB 4.13Å; I26-L87 HydrophobicContact CD1-CD2 4.42Å; I26-L87 HydrophobicContact CG1-CD2 3.84Å; I26-V90 HydrophobicContact CB-CG2 4.33Å; I26-V90 HydrophobicContact CD1-CG2 4.02Å; I26-V90 HydrophobicContact CG1-CB 4.39Å; I26-V90 HydrophobicContact CG1-CG2 3.85Å; I26-V90 HydrophobicContact CG2-CG1 4.39Å; I26-V90 HydrophobicContact CG2-CG2 3.69Å
27N98Very high97.4Very high106 Ų10650.1 Ų50.157%0.56726%0.26SS*.Hα-helixtrans-63.6-41.6179.8-70.8-21.7000111.6S23 A24 S31S23-N27 PolarHBondContact O-N 2.99Å; S23-N27 PolarHBondContact O-ND2 2.9Å; A24-N27 PolarHBondContact O-N 3.28Å; N27-S31 WeakPolarHBondContact O-CB 3.43Å; N27-S31 PolarHBondContact O-N 3.15Å
28Y96.9Very high97.5Very high34 Ų3451.3 Ų51.313%0.13327%0.274CS..Hα-helixtrans-60.4-48175.3175.3-123.7000111.3A24 L25 I26 R30 S31 V32 F53 V426A24-Y28 WeakPolarHBondContact O-CB 3.42Å; A24-Y28 PolarHBondContact O-N 2.84Å; L25-Y28 HydrophobicContact CD1-CD1 4.43Å; L25-Y28 PolarHBondContact O-N 3.13Å; I26-Y28 VanDerWaalsContact C-N 3.34Å; I26-Y28 PolarHBondContact O-N 3.27Å; Y28-R30 PolarHBondContact O-N 3.48Å; Y28-S31 PolarHBondContact O-N 3.18Å; Y28-S31 VanDerWaalsContact O-N 3.17Å; Y28-S31 PolarHBondContact O-OG 3.12Å; Y28-V32 HydrophobicContact CD2-CG2 4.13Å; Y28-V32 HydrophobicContact CE2-CG2 3.64Å; Y28-V32 PolarHBondContact O-N 3.23Å; Y28-V32 VanDerWaalsContact O-N 3.1Å; Y28-F53 HydrophobicContact CD1-CD2 4.15Å; Y28-F53 HydrophobicContact CD1-CE2 4.15Å; Y28-F53 AromaticContact CE1-CD2 3.65Å; Y28-F53 HydrophobicContact CE1-CD2 3.65Å; Y28-F53 HydrophobicContact CE1-CE2 4.11Å; Y28-V426 HydrophobicContact CD1-CG1 4.4Å; Y28-V426 HydrophobicContact CD2-CG1 4.15Å; Y28-V426 HydrophobicContact CE2-CG1 4.4Å; Y28-V426 HydrophobicContact CG-CG1 4.16Å
29A97.5Very high97.5Very high0 Ų052.4 Ų52.40%028%0.282CS..Hα-helixtrans-59.3-47.3-179.500000112.8L25 I26 S31 V32 Y33 F53 Y57 L94L25-A29 WeakPolarHBondContact O-CB 3.34Å; L25-A29 PolarHBondContact O-N 3.42Å; I26-A29 PolarHBondContact O-N 2.9Å; A29-S31 PolarHBondContact O-N 2.91Å; A29-V32 PolarHBondContact O-N 2.69Å; A29-Y33 WeakPolarHBondContact O-CD2 3.44Å; A29-Y33 PolarHBondContact O-N 3.26Å; A29-F53 VanDerWaalsContact CA-CE2 3.47Å; A29-F53 HydrophobicContact CB-CE2 3.62Å; A29-F53 HydrophobicContact CB-CZ 3.57Å; A29-Y57 HydrophobicContact CB-CD2 4.03Å; A29-Y57 HydrophobicContact CB-CE2 3.87Å; A29-L94 HydrophobicContact CB-CD1 3.73Å
30R98.1Very high97.4Very high91 Ų9157.1 Ų57.134%0.34330%0.297SS..Hα-helixtrans-59.3-45174.7-72.9179.5174.2142.51.4112.1I26 Y28 V32 Y33 D34 E93I26-R30 PolarHBondContact O-N 3.37Å; I26-R30 VanDerWaalsContact O-N 3.07Å; Y28-R30 PolarHBondContact O-N 3.48Å; R30-V32 VanDerWaalsContact C-N 3.3Å; R30-V32 PolarHBondContact O-N 2.7Å; R30-Y33 PolarHBondContact O-N 3.02Å; R30-D34 WeakPolarHBondContact O-CB 3.42Å; R30-D34 PolarHBondContact O-N 3.18Å; R30-E93 IonicContact CZ-OE1 3.56Å; R30-E93 IonicContact CZ-OE2 2.68Å; R30-E93 IonicContact NE-OE1 2.85Å; R30-E93 PolarHBondContact NE-OE1 3.36Å; R30-E93 IonicContact NE-OE2 2.98Å; R30-E93 PolarHBondContact NE-OE2 2.93Å; R30-E93 IonicContact NH2-OE1 3.34Å; R30-E93 IonicContact NH2-OE2 3.23Å; R30-E93 PolarHBondContact NH2-OE2 3.29Å
31S98Very high97.4Very high61 Ų6152.3 Ų52.343%0.42728%0.282SS..Hα-helixtrans-60-38.4-178.978.70000113.1N27 Y28 A29 K35N27-S31 WeakPolarHBondContact O-CB 3.43Å; N27-S31 PolarHBondContact O-N 3.15Å; Y28-S31 PolarHBondContact O-N 3.18Å; Y28-S31 VanDerWaalsContact O-N 3.17Å; Y28-S31 PolarHBondContact O-OG 3.12Å; A29-S31 PolarHBondContact O-N 2.91Å; S31-K35 WeakPolarHBondContact O-CB 3.25Å; S31-K35 PolarHBondContact O-N 2.98Å; S31-K35 VanDerWaalsContact O-N 3.14Å
32V97.2Very high97.3Very high19 Ų1952.8 Ų52.812%0.11529%0.29CS..Hα-helixtrans-67.5-48177.3172.90000110.2Y28 A29 R30 D34 K35 V36 I50 F53Y28-V32 HydrophobicContact CD2-CG2 4.13Å; Y28-V32 HydrophobicContact CE2-CG2 3.64Å; Y28-V32 PolarHBondContact O-N 3.23Å; Y28-V32 VanDerWaalsContact O-N 3.1Å; A29-V32 PolarHBondContact O-N 2.69Å; R30-V32 VanDerWaalsContact C-N 3.3Å; R30-V32 PolarHBondContact O-N 2.7Å; V32-D34 VanDerWaalsContact C-N 3.34Å; V32-D34 PolarHBondContact O-N 3.42Å; V32-K35 PolarHBondContact O-N 3.27Å; V32-V36 WeakPolarHBondContact O-CG2 3.43Å; V32-V36 PolarHBondContact O-N 3.41Å; V32-I50 HydrophobicContact CG1-CD1 4.18Å; V32-F53 HydrophobicContact CB-CD2 4.21Å; V32-F53 HydrophobicContact CB-CG 4.37Å; V32-F53 HydrophobicContact CG1-CB 3.87Å; V32-F53 HydrophobicContact CG1-CD2 4.35Å; V32-F53 HydrophobicContact CG1-CG 4.03Å; V32-F53 HydrophobicContact CG2-CB 4.45Å; V32-F53 HydrophobicContact CG2-CD2 3.99Å; V32-F53 HydrophobicContact CG2-CG 4.43Å
33Y98.2Very high97.1Very high21 Ų2154 Ų548%0.08230%0.295CS..Hα-helixtrans-66.2-35.4-179.3-86.2-113.2000112.4A29 R30 V36 G37 I50 F53 L94 R97 V100A29-Y33 WeakPolarHBondContact O-CD2 3.44Å; A29-Y33 PolarHBondContact O-N 3.26Å; R30-Y33 PolarHBondContact O-N 3.02Å; Y33-V36 PolarHBondContact O-N 2.91Å; Y33-G37 PolarHBondContact O-N 2.92Å; Y33-I50 HydrophobicContact CD1-CD1 4.46Å; Y33-I50 HydrophobicContact CD2-CD1 3.93Å; Y33-I50 HydrophobicContact CE1-CD1 4.27Å; Y33-I50 HydrophobicContact CE2-CD1 3.73Å; Y33-I50 HydrophobicContact CG-CD1 4.29Å; Y33-F53 HydrophobicContact CD2-CE1 4.39Å; Y33-F53 AromaticContact CE2-CD1 3.88Å; Y33-F53 HydrophobicContact CE2-CD1 3.88Å; Y33-F53 AromaticContact CE2-CE1 3.56Å; Y33-F53 HydrophobicContact CE2-CE1 3.56Å; Y33-F53 HydrophobicContact CE2-CZ 4.23Å; Y33-L94 HydrophobicContact CD1-CB 4.03Å; Y33-L94 HydrophobicContact CD1-CD2 3.94Å; Y33-L94 HydrophobicContact CD1-CG 4.47Å; Y33-L94 HydrophobicContact CD2-CD1 4.08Å; Y33-L94 HydrophobicContact CD2-CD2 3.88Å; Y33-L94 HydrophobicContact CD2-CG 4.36Å; Y33-L94 HydrophobicContact CE1-CB 3.79Å; Y33-L94 HydrophobicContact CE2-CB 4.31Å; Y33-L94 HydrophobicContact CE2-CD1 3.97Å; Y33-L94 HydrophobicContact CE2-CD2 4.44Å; Y33-L94 HydrophobicContact CE2-CG 4.46Å; Y33-L94 HydrophobicContact CG-CB 4.41Å; Y33-L94 HydrophobicContact CG-CD2 3.61Å; Y33-L94 HydrophobicContact CG-CG 4.38Å; Y33-R97 HydrophobicContact CD1-CB 4.42Å; Y33-R97 HydrophobicContact CD1-CG 4.22Å; Y33-R97 PolarHBondContact O-NH2 3.46Å; Y33-V100 HydrophobicContact CD1-CB 4.34Å; Y33-V100 HydrophobicContact CD1-CG1 4.19Å; Y33-V100 HydrophobicContact CD1-CG2 3.87Å; Y33-V100 HydrophobicContact CE1-CG1 4.24Å
34D98.3Very high96.9Very high81 Ų8156.8 Ų56.843%0.43330%0.301SS..Hα-helixtrans-64.7-42.2174.4-69-18000112.4R30 V32 S38 R97R30-D34 WeakPolarHBondContact O-CB 3.42Å; R30-D34 PolarHBondContact O-N 3.18Å; V32-D34 VanDerWaalsContact C-N 3.34Å; V32-D34 PolarHBondContact O-N 3.42Å; D34-S38 PolarHBondContact O-N 2.72Å; D34-S38 PolarHBondContact O-OG 2.79Å; D34-R97 IonicContact OD1-CZ 2.82Å; D34-R97 VanDerWaalsContact OD1-CZ 3.3Å; D34-R97 IonicContact OD1-NH1 3.89Å; D34-R97 PolarHBondContact OD1-NH1 2.77Å; D34-R97 IonicContact OD1-NH2 2.63Å; D34-R97 PolarHBondContact OD1-NH2 2.86Å
35K98Very high96.7Very high153 Ų15356.1 Ų56.167%0.66529%0.294SS*.Hα-helixtrans-63-43.6174.4-174.2178.3179.9-179.60111.3S31 V32 S38 S39S31-K35 WeakPolarHBondContact O-CB 3.25Å; S31-K35 PolarHBondContact O-N 2.98Å; S31-K35 VanDerWaalsContact O-N 3.14Å; V32-K35 PolarHBondContact O-N 3.27Å; K35-S38 PolarHBondContact O-OG 3.05Å; K35-S38 VanDerWaalsContact O-OG 3.12Å; K35-S39 WeakPolarHBondContact O-CB 3.33Å; K35-S39 PolarHBondContact O-N 2.85Å
36V98Very high96.7Very high3 Ų355.8 Ų55.82%0.01829%0.292CS..Hα-helixtrans-68.1-45.3179.5170.10000111.3V32 Y33 S38 S39 V46 P49 I50 V100V32-V36 WeakPolarHBondContact O-CG2 3.43Å; V32-V36 PolarHBondContact O-N 3.41Å; Y33-V36 PolarHBondContact O-N 2.91Å; V36-S38 PolarHBondContact O-N 2.67Å; V36-S39 WeakPolarHBondContact O-CB 3.39Å; V36-S39 PolarHBondContact O-N 3.1Å; V36-S39 PolarHBondContact O-OG 2.9Å; V36-V46 HydrophobicContact CG1-CB 4.3Å; V36-V46 HydrophobicContact CG1-CG1 3.91Å; V36-V46 HydrophobicContact CG1-CG2 4.3Å; V36-P49 HydrophobicContact CG2-CB 4.19Å; V36-I50 HydrophobicContact CB-CD1 4.19Å; V36-I50 HydrophobicContact CB-CG1 4.47Å; V36-I50 HydrophobicContact CG1-CD1 4.22Å; V36-I50 HydrophobicContact CG1-CG1 4.11Å; V36-I50 HydrophobicContact CG2-CD1 3.84Å; V36-I50 HydrophobicContact CG2-CG1 3.97Å; V36-V100 HydrophobicContact CG1-CG1 4.05Å; V36-V100 HydrophobicContact CG1-CG2 4.35Å
37G97.6Very high96.5Very high10 Ų1054.9 Ų54.910%0.10329%0.288CS..Hα-helixtrans-59.6-30.2178.700000113.5Y33 D99 K103Y33-G37 PolarHBondContact O-N 2.92Å; G37-D99 WeakPolarHBondContact CA-OD2 3.27Å; G37-K103 WeakPolarHBondContact O-CE 3.4Å; G37-K103 PolarHBondContact O-NZ 3.38Å
38S97.2Very high96.3Very high98 Ų9851.7 Ų51.769%0.68527%0.27SS*.Hα-helixtrans-91-6.1176.157.30000114.8D34 K35 V36D34-S38 PolarHBondContact O-N 2.72Å; D34-S38 PolarHBondContact O-OG 2.79Å; K35-S38 PolarHBondContact O-OG 3.05Å; K35-S38 VanDerWaalsContact O-OG 3.12Å; V36-S38 PolarHBondContact O-N 2.67Å
39S96.3Very high96.2Very high24 Ų2452 Ų5217%0.16828%0.277CS..SBendtrans-83.9170.4-173.975.90000114.6K35 V36 S45 K103K35-S39 WeakPolarHBondContact O-CB 3.33Å; K35-S39 PolarHBondContact O-N 2.85Å; V36-S39 WeakPolarHBondContact O-CB 3.39Å; V36-S39 PolarHBondContact O-N 3.1Å; V36-S39 PolarHBondContact O-OG 2.9Å; S39-S45 PolarHBondContact OG-O 3.34Å; S39-K103 VanDerWaalsContact O-CE 3.27Å; S39-K103 WeakPolarHBondContact O-CE 3.2Å; S39-K103 PolarHBondContact O-NZ 3.32Å
40K95.8Very high96.1Very high167 Ų16752 Ų5273%0.72628%0.277SS*.  trans-71.7149.2166.1-69.8-175.6179-1800109.9T42 S45 V46K40-T42 PolarHBondContact O-N 3.31Å; K40-S45 PolarHBondContact O-OG 3.29Å; K40-V46 WeakPolarHBondContact O-CG2 3.47Å
41P95.7Very high96Very high51 Ų5147.8 Ų47.833%0.33126%0.261SS..SBendtrans-83.577.5-177.533.8-35000112.4K103 V107P41-K103 HydrophobicContact CB-CD 4.41Å; P41-V107 HydrophobicContact CB-CG2 3.96Å
42T94.7Very high95.8Very high57 Ų5745.4 Ų45.435%0.3524%0.243SC..SBendtrans-121.2170.8173.283.10000111.5K40 E44 S45 V46K40-T42 PolarHBondContact O-N 3.31Å; T42-E44 PolarHBondContact OG1-N 3.09Å; T42-E44 PolarHBondContact OG1-OE2 3.39Å; T42-S45 PolarHBondContact N-OG 3.04Å; T42-S45 PolarHBondContact OG1-N 3.48Å; T42-S45 PolarHBondContact OG1-OG 3.18Å; T42-S45 VanDerWaalsContact OG1-OG 3.04Å; T42-V46 WeakPolarHBondContact O-CB 3.28Å; T42-V46 PolarHBondContact O-N 3.13Å; T42-V46 VanDerWaalsContact O-N 3.09Å
43F93.9Very high95.7Very high29 Ų2944.8 Ų44.813%0.12724%0.239CC..Iπ-helixtrans-56.7-49.1174.2176.9-105.5000111.7S45 V47 L48 F115 Y119F43-S45 PolarHBondContact O-N 3.45Å; F43-V47 HydrophobicContact CD2-CB 3.79Å; F43-V47 HydrophobicContact CD2-CG1 3.9Å; F43-V47 HydrophobicContact CD2-CG2 4.47Å; F43-V47 HydrophobicContact CE2-CB 4.2Å; F43-V47 HydrophobicContact CE2-CG1 3.87Å; F43-V47 PolarHBondContact O-N 2.85Å; F43-V47 VanDerWaalsContact O-N 3.07Å; F43-L48 HydrophobicContact CE1-CB 4.09Å; F43-L48 HydrophobicContact CE1-CD2 4.31Å; F43-L48 HydrophobicContact CZ-CB 4.16Å; F43-L48 HydrophobicContact CZ-CD1 4.39Å; F43-L48 PolarHBondContact O-N 2.98Å; F43-F115 HydrophobicContact CB-CE1 4.44Å; F43-F115 HydrophobicContact CB-CE2 3.86Å; F43-F115 HydrophobicContact CB-CZ 3.69Å; F43-F115 HydrophobicContact CD2-CD1 4.04Å; F43-F115 AromaticContact CD2-CE1 3.62Å; F43-F115 HydrophobicContact CD2-CE1 3.62Å; F43-F115 HydrophobicContact CD2-CE2 4.29Å; F43-F115 AromaticContact CD2-CZ 3.75Å; F43-F115 HydrophobicContact CD2-CZ 3.75Å; F43-F115 HydrophobicContact CE2-CE1 4.43Å; F43-F115 HydrophobicContact CG-CE1 4.47Å; F43-F115 HydrophobicContact CG-CE2 4.43Å; F43-F115 HydrophobicContact CG-CZ 4.17Å; F43-Y119 AromaticContact CE2-CD1 3.88Å; F43-Y119 HydrophobicContact CE2-CD1 3.88Å; F43-Y119 AromaticContact CE2-CD2 3.77Å; F43-Y119 HydrophobicContact CE2-CD2 3.77Å; F43-Y119 HydrophobicContact CE2-CE1 4.21Å; F43-Y119 HydrophobicContact CE2-CE2 4.1Å; F43-Y119 AromaticContact CE2-CG 3.66Å; F43-Y119 HydrophobicContact CE2-CG 3.66Å; F43-Y119 HydrophobicContact CZ-CD1 4.48Å; F43-Y119 AromaticContact CZ-CD2 3.88Å; F43-Y119 HydrophobicContact CZ-CD2 3.88Å; F43-Y119 HydrophobicContact CZ-CE1 4.43Å; F43-Y119 AromaticContact CZ-CE2 3.82Å; F43-Y119 HydrophobicContact CZ-CE2 3.82Å; F43-Y119 HydrophobicContact CZ-CG 4.23Å
44E92.7Very high95.6Very high114 Ų11444.4 Ų44.453%0.53324%0.238SC..Iπ-helixtrans-71.4-28.7-172.9-58.772.8-158.900113.4T42 P49T42-E44 PolarHBondContact OG1-N 3.09Å; T42-E44 PolarHBondContact OG1-OE2 3.39Å; E44-P49 WeakPolarHBondContact O-CD 3.38Å; E44-P49 WeakPolarHBondContact O-CG 3.38Å
45S93.8Very high95.4Very high33 Ų3340.6 Ų40.623%0.23122%0.218CC..Iπ-helixtrans-100.1-16.8-17754.90000114.4S39 K40 T42 F43S39-S45 PolarHBondContact OG-O 3.34Å; K40-S45 PolarHBondContact O-OG 3.29Å; T42-S45 PolarHBondContact N-OG 3.04Å; T42-S45 PolarHBondContact OG1-N 3.48Å; T42-S45 PolarHBondContact OG1-OG 3.18Å; T42-S45 VanDerWaalsContact OG1-OG 3.04Å; F43-S45 PolarHBondContact O-N 3.45Å
46V96Very high95.1Very high0 Ų033.9 Ų33.90%019%0.189CC..Iπ-helixtrans-121.6-60-177.8-179.60000111.9V36 K40 T42 I50 K103 F104 V107V36-V46 HydrophobicContact CG1-CB 4.3Å; V36-V46 HydrophobicContact CG1-CG1 3.91Å; V36-V46 HydrophobicContact CG1-CG2 4.3Å; K40-V46 WeakPolarHBondContact O-CG2 3.47Å; T42-V46 WeakPolarHBondContact O-CB 3.28Å; T42-V46 PolarHBondContact O-N 3.13Å; T42-V46 VanDerWaalsContact O-N 3.09Å; V46-I50 VanDerWaalsContact O-CG1 3.25Å; V46-I50 WeakPolarHBondContact O-CG1 3.44Å; V46-I50 PolarHBondContact O-N 2.73Å; V46-K103 HydrophobicContact CG1-CB 3.84Å; V46-K103 HydrophobicContact CG2-CB 3.88Å; V46-K103 HydrophobicContact CG2-CG 4.34Å; V46-F104 HydrophobicContact CG1-CD2 4.11Å; V46-F104 HydrophobicContact CG1-CE2 4.01Å; V46-F104 HydrophobicContact CG1-CG 4.41Å; V46-F104 HydrophobicContact CG1-CZ 4.22Å; V46-V107 HydrophobicContact CB-CG2 4.24Å; V46-V107 HydrophobicContact CG1-CG2 4.41Å; V46-V107 HydrophobicContact CG2-CG2 4.43Å
47V95.5Very high95Very high0 Ų034.4 Ų34.40%019%0.19CC..Iπ-helixtrans-73.2-51.9-168.6179.90000111.1F43 I50 S51 F104 V107 F115 Y119 Y122 V123F43-V47 HydrophobicContact CD2-CB 3.79Å; F43-V47 HydrophobicContact CD2-CG1 3.9Å; F43-V47 HydrophobicContact CD2-CG2 4.47Å; F43-V47 HydrophobicContact CE2-CB 4.2Å; F43-V47 HydrophobicContact CE2-CG1 3.87Å; F43-V47 PolarHBondContact O-N 2.85Å; F43-V47 VanDerWaalsContact O-N 3.07Å; V47-I50 PolarHBondContact O-N 3.04Å; V47-S51 WeakPolarHBondContact O-CB 3.44Å; V47-S51 PolarHBondContact O-N 2.85Å; V47-F104 HydrophobicContact CG2-CE1 4.14Å; V47-V107 HydrophobicContact CG2-CG1 3.79Å; V47-V107 HydrophobicContact CG2-CG2 4.48Å; V47-F115 HydrophobicContact CG1-CE1 4.42Å; V47-F115 HydrophobicContact CG2-CE1 4.05Å; V47-F115 HydrophobicContact CG2-CZ 4.31Å; V47-Y119 HydrophobicContact CG1-CD1 3.83Å; V47-Y119 HydrophobicContact CG1-CE1 4.39Å; V47-Y122 HydrophobicContact CG1-CD1 3.84Å; V47-Y122 HydrophobicContact CG1-CE1 4.07Å; V47-V123 HydrophobicContact CG1-CG2 4.1Å; V47-V123 HydrophobicContact CG2-CG2 3.61Å
48L93.2Very high94.9Very high39 Ų3936.8 Ų36.820%0.20420%0.199CC..Hα-helixtrans-64-46.2-178.1-177.765.3000112.1F43 I50 S51 L52F43-L48 HydrophobicContact CE1-CB 4.09Å; F43-L48 HydrophobicContact CE1-CD2 4.31Å; F43-L48 HydrophobicContact CZ-CB 4.16Å; F43-L48 HydrophobicContact CZ-CD1 4.39Å; F43-L48 PolarHBondContact O-N 2.98Å; L48-I50 PolarHBondContact O-N 3.11Å; L48-S51 PolarHBondContact O-N 3.12Å; L48-L52 HydrophobicContact CD1-CD1 3.92Å; L48-L52 HydrophobicContact CD1-CD2 4.45Å; L48-L52 HydrophobicContact CD1-CG 3.97Å; L48-L52 HydrophobicContact CG-CD1 3.88Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.11Å
49P94Very high94.8Very high42 Ų4232.3 Ų32.327%0.27317%0.167SC..Hα-helixtrans-60.9-42.7177.9-2737.8000113.7V36 E44 F53V36-P49 HydrophobicContact CG2-CB 4.19Å; E44-P49 WeakPolarHBondContact O-CD 3.38Å; E44-P49 WeakPolarHBondContact O-CG 3.38Å; P49-F53 VanDerWaalsContact O-CB 3.23Å; P49-F53 WeakPolarHBondContact O-CB 3.49Å; P49-F53 PolarHBondContact O-N 2.69Å
50I96.1Very high94.8Very high0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-67.4-44177.5-62.3-69.3000110.5V32 Y33 V36 V46 V47 L48 L52 F53 E54 F104 Y122V32-I50 HydrophobicContact CG1-CD1 4.18Å; Y33-I50 HydrophobicContact CD1-CD1 4.46Å; Y33-I50 HydrophobicContact CD2-CD1 3.93Å; Y33-I50 HydrophobicContact CE1-CD1 4.27Å; Y33-I50 HydrophobicContact CE2-CD1 3.73Å; Y33-I50 HydrophobicContact CG-CD1 4.29Å; V36-I50 HydrophobicContact CB-CD1 4.19Å; V36-I50 HydrophobicContact CB-CG1 4.47Å; V36-I50 HydrophobicContact CG1-CD1 4.22Å; V36-I50 HydrophobicContact CG1-CG1 4.11Å; V36-I50 HydrophobicContact CG2-CD1 3.84Å; V36-I50 HydrophobicContact CG2-CG1 3.97Å; V46-I50 VanDerWaalsContact O-CG1 3.25Å; V46-I50 WeakPolarHBondContact O-CG1 3.44Å; V46-I50 PolarHBondContact O-N 2.73Å; V47-I50 PolarHBondContact O-N 3.04Å; L48-I50 PolarHBondContact O-N 3.11Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 3.33Å; I50-F53 WeakPolarHBondContact O-CB 3.43Å; I50-F53 PolarHBondContact O-N 2.72Å; I50-E54 HydrophobicContact CG2-CG 4.37Å; I50-E54 WeakPolarHBondContact O-CG 3.44Å; I50-E54 PolarHBondContact O-N 2.8Å; I50-F104 HydrophobicContact CB-CZ 4.24Å; I50-F104 HydrophobicContact CG1-CE2 4.23Å; I50-F104 HydrophobicContact CG1-CZ 4.32Å; I50-F104 HydrophobicContact CG2-CZ 4.31Å; I50-Y122 WeakPolarHBondContact CG2-OH 3.3Å
51S95.2Very high94.8Very high1 Ų128.6 Ų28.61%0.00715%0.147CC..Hα-helixtrans-60.5-41.1178.5175.10000112.7V47 L48 A55V47-S51 WeakPolarHBondContact O-CB 3.44Å; V47-S51 PolarHBondContact O-N 2.85Å; L48-S51 PolarHBondContact O-N 3.12Å; S51-A55 PolarHBondContact O-N 3.06Å
52L93.8Very high94.8Very high11 Ų1127 Ų276%0.05814%0.136CC..Hα-helixtrans-71.8-40.6177.7-68.1173.5000111.4L48 I50 E54 A55 E56 L436L48-L52 HydrophobicContact CD1-CD1 3.92Å; L48-L52 HydrophobicContact CD1-CD2 4.45Å; L48-L52 HydrophobicContact CD1-CG 3.97Å; L48-L52 HydrophobicContact CG-CD1 3.88Å; L48-L52 HydrophobicContact CG-CG 4.34Å; L48-L52 WeakPolarHBondContact O-CB 3.35Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.11Å; I50-L52 VanDerWaalsContact C-N 3.33Å; I50-L52 PolarHBondContact O-N 3.33Å; L52-E54 VanDerWaalsContact C-N 3.3Å; L52-E54 PolarHBondContact O-N 3.27Å; L52-A55 PolarHBondContact O-N 3.31Å; L52-E56 PolarHBondContact O-N 3.29Å; L52-L436 HydrophobicContact CD1-CD1 4Å; L52-L436 HydrophobicContact CD1-CD2 3.69Å; L52-L436 HydrophobicContact CD1-CG 4.4Å
53F94.9Very high94.9Very high7 Ų724.4 Ų24.43%0.03112%0.12CC..Hα-helixtrans-56.6-44.6172.7158.1-96.5000111.4Y28 A29 V32 Y33 P49 I50 A55 E56 Y57Y28-F53 HydrophobicContact CD1-CD2 4.15Å; Y28-F53 HydrophobicContact CD1-CE2 4.15Å; Y28-F53 AromaticContact CE1-CD2 3.65Å; Y28-F53 HydrophobicContact CE1-CD2 3.65Å; Y28-F53 HydrophobicContact CE1-CE2 4.11Å; A29-F53 VanDerWaalsContact CA-CE2 3.47Å; A29-F53 HydrophobicContact CB-CE2 3.62Å; A29-F53 HydrophobicContact CB-CZ 3.57Å; V32-F53 HydrophobicContact CB-CD2 4.21Å; V32-F53 HydrophobicContact CB-CG 4.37Å; V32-F53 HydrophobicContact CG1-CB 3.87Å; V32-F53 HydrophobicContact CG1-CD2 4.35Å; V32-F53 HydrophobicContact CG1-CG 4.03Å; V32-F53 HydrophobicContact CG2-CB 4.45Å; V32-F53 HydrophobicContact CG2-CD2 3.99Å; V32-F53 HydrophobicContact CG2-CG 4.43Å; Y33-F53 HydrophobicContact CD2-CE1 4.39Å; Y33-F53 AromaticContact CE2-CD1 3.88Å; Y33-F53 HydrophobicContact CE2-CD1 3.88Å; Y33-F53 AromaticContact CE2-CE1 3.56Å; Y33-F53 HydrophobicContact CE2-CE1 3.56Å; Y33-F53 HydrophobicContact CE2-CZ 4.23Å; P49-F53 VanDerWaalsContact O-CB 3.23Å; P49-F53 WeakPolarHBondContact O-CB 3.49Å; P49-F53 PolarHBondContact O-N 2.69Å; I50-F53 WeakPolarHBondContact O-CB 3.43Å; I50-F53 PolarHBondContact O-N 2.72Å; F53-A55 VanDerWaalsContact C-N 3.31Å; F53-A55 PolarHBondContact O-N 3.46Å; F53-E56 PolarHBondContact O-N 2.96Å; F53-Y57 HydrophobicContact CE1-CD2 4.4Å; F53-Y57 HydrophobicContact CE1-CG 4.18Å; F53-Y57 AromaticContact CE2-CD2 3.59Å; F53-Y57 HydrophobicContact CE2-CD2 3.59Å; F53-Y57 AromaticContact CE2-CG 3.93Å; F53-Y57 HydrophobicContact CE2-CG 3.93Å; F53-Y57 HydrophobicContact CZ-CD1 4.4Å; F53-Y57 AromaticContact CZ-CD2 3.35Å; F53-Y57 HydrophobicContact CZ-CD2 3.35Å; F53-Y57 HydrophobicContact CZ-CE2 4.13Å; F53-Y57 AromaticContact CZ-CG 3.51Å; F53-Y57 HydrophobicContact CZ-CG 3.51Å; F53-Y57 WeakPolarHBondContact O-CB 3.46Å; F53-Y57 PolarHBondContact O-N 3.11Å
54E96Very high95Very high13 Ų1323 Ų236%0.06111%0.114CC..Hα-helixtrans-60.9-39.8-179.7-76.3172.7166.200112.6I50 L52 Q58 Y122 K126 A489I50-E54 HydrophobicContact CG2-CG 4.37Å; I50-E54 WeakPolarHBondContact O-CG 3.44Å; I50-E54 PolarHBondContact O-N 2.8Å; L52-E54 VanDerWaalsContact C-N 3.3Å; L52-E54 PolarHBondContact O-N 3.27Å; E54-Q58 VanDerWaalsContact O-CB 3.28Å; E54-Q58 WeakPolarHBondContact O-CB 3.5Å; E54-Q58 VanDerWaalsContact O-CG 3.25Å; E54-Q58 WeakPolarHBondContact O-CG 3.38Å; E54-Q58 PolarHBondContact O-N 2.91Å; E54-Y122 PolarHBondContact OE1-OH 3.29Å; E54-Y122 VanDerWaalsContact OE2-CE2 3.26Å; E54-Y122 WeakPolarHBondContact OE2-CE2 3.49Å; E54-Y122 PolarHBondContact OE2-OH 3.16Å; E54-K126 WeakPolarHBondContact OE1-CE 3.42Å; E54-K126 IonicContact OE1-NZ 2.72Å; E54-K126 PolarHBondContact OE1-NZ 3.26Å; E54-A489 HydrophobicContact CB-CB 4.38Å
55A94.3Very high95Very high0 Ų018.2 Ų18.20%09%0.092CC..Hα-helixtrans-61.8-44.5175.700000112S51 L52 F53 T59 C415 A489S51-A55 PolarHBondContact O-N 3.06Å; L52-A55 PolarHBondContact O-N 3.31Å; F53-A55 VanDerWaalsContact C-N 3.31Å; F53-A55 PolarHBondContact O-N 3.46Å; A55-T59 PolarHBondContact O-N 3.44Å; A55-T59 PolarHBondContact O-OG1 2.96Å; A55-C415 VanDerWaalsContact CB-SG 3.56Å; A55-A489 HydrophobicContact CB-CB 4.03Å
56E92.9Very high95.1Very high13 Ų1316.7 Ų16.76%0.0618%0.081CC..Hα-helixtrans-70.3-45.4178.3-65.2-173.1-155.500111.7L52 F53 T59 E60 S418 R429L52-E56 PolarHBondContact O-N 3.29Å; F53-E56 PolarHBondContact O-N 2.96Å; E56-T59 PolarHBondContact O-N 2.97Å; E56-E60 PolarHBondContact O-N 3.23Å; E56-E60 VanDerWaalsContact O-N 3.13Å; E56-S418 WeakPolarHBondContact OE1-CB 3.49Å; E56-S418 PolarHBondContact OE1-OG 2.89Å; E56-R429 VanDerWaalsContact CD-NH2 3.33Å; E56-R429 IonicContact OE1-CZ 3.52Å; E56-R429 IonicContact OE1-NH1 3.3Å; E56-R429 PolarHBondContact OE1-NH1 3.16Å; E56-R429 IonicContact OE1-NH2 2.84Å; E56-R429 PolarHBondContact OE1-NH2 3.28Å; E56-R429 IonicContact OE2-CZ 3.81Å; E56-R429 IonicContact OE2-NH1 2.92Å; E56-R429 PolarHBondContact OE2-NH1 3.37Å; E56-R429 IonicContact OE2-NH2 3.46Å; E56-R429 PolarHBondContact OE2-NH2 2.93Å
57Y95.5Very high95.2Very high13 Ų1316.7 Ų16.75%0.0518%0.081CC..Hα-helixtrans-62.9-50-178.6-177.1-88.9000111.5L25 A29 F53 T59 E60 R61 E91L25-Y57 HydrophobicContact CD1-CD2 3.52Å; L25-Y57 HydrophobicContact CD1-CE2 4Å; L25-Y57 HydrophobicContact CD1-CG 4.32Å; L25-Y57 HydrophobicContact CD2-CD2 4.08Å; L25-Y57 HydrophobicContact CD2-CE2 3.9Å; L25-Y57 HydrophobicContact CG-CD2 3.72Å; L25-Y57 HydrophobicContact CG-CE2 3.64Å; A29-Y57 HydrophobicContact CB-CD2 4.03Å; A29-Y57 HydrophobicContact CB-CE2 3.87Å; F53-Y57 HydrophobicContact CE1-CD2 4.4Å; F53-Y57 HydrophobicContact CE1-CG 4.18Å; F53-Y57 AromaticContact CE2-CD2 3.59Å; F53-Y57 HydrophobicContact CE2-CD2 3.59Å; F53-Y57 AromaticContact CE2-CG 3.93Å; F53-Y57 HydrophobicContact CE2-CG 3.93Å; F53-Y57 HydrophobicContact CZ-CD1 4.4Å; F53-Y57 AromaticContact CZ-CD2 3.35Å; F53-Y57 HydrophobicContact CZ-CD2 3.35Å; F53-Y57 HydrophobicContact CZ-CE2 4.13Å; F53-Y57 AromaticContact CZ-CG 3.51Å; F53-Y57 HydrophobicContact CZ-CG 3.51Å; F53-Y57 WeakPolarHBondContact O-CB 3.46Å; F53-Y57 PolarHBondContact O-N 3.11Å; Y57-T59 VanDerWaalsContact C-N 3.31Å; Y57-T59 PolarHBondContact O-N 2.95Å; Y57-E60 PolarHBondContact O-N 3.18Å; Y57-R61 HydrophobicContact CD1-CB 4.19Å; Y57-R61 HydrophobicContact CE1-CB 3.98Å; Y57-R61 HydrophobicContact CE1-CG 4.02Å; Y57-R61 WeakPolarHBondContact O-CB 3.22Å; Y57-R61 PolarHBondContact O-N 3.4Å; Y57-E91 HydrophobicContact CE1-CG 4.02Å; Y57-E91 WeakPolarHBondContact CE1-OE1 3.18Å; Y57-E91 WeakPolarHBondContact OH-CG 3.47Å; Y57-E91 PolarHBondContact OH-OE1 3.48Å
58Q95.8Very high95.1Very high60 Ų6018.7 Ų18.728%0.289%0.091SC..Hα-helixtrans-59.3-43.9179.5-74.9-179.42.400111.4E54 E60 R61 N62 P413E54-Q58 VanDerWaalsContact O-CB 3.28Å; E54-Q58 WeakPolarHBondContact O-CB 3.5Å; E54-Q58 VanDerWaalsContact O-CG 3.25Å; E54-Q58 WeakPolarHBondContact O-CG 3.38Å; E54-Q58 PolarHBondContact O-N 2.91Å; Q58-E60 PolarHBondContact O-N 3.36Å; Q58-R61 PolarHBondContact O-N 2.9Å; Q58-N62 VanDerWaalsContact O-CB 3.27Å; Q58-N62 WeakPolarHBondContact O-CB 3.47Å; Q58-N62 PolarHBondContact O-N 2.95Å; Q58-N62 PolarHBondContact O-ND2 3.27Å; Q58-N62 VanDerWaalsContact O-ND2 3.12Å; Q58-N62 PolarHBondContact O-OD1 3Å; Q58-P413 HydrophobicContact CB-CG 4.32Å
59T95.4Very high95Very high4 Ų419 Ų193%0.0259%0.091CC..Hα-helixtrans-60-47.2179.2-53.10000111.8R8 L9 A55 E56 Y57 A63 Q412 Q441R8-T59 HydrophobicContact CB-CG2 3.95Å; L9-T59 HydrophobicContact CD2-CG2 3.98Å; A55-T59 PolarHBondContact O-N 3.44Å; A55-T59 PolarHBondContact O-OG1 2.96Å; E56-T59 PolarHBondContact O-N 2.97Å; Y57-T59 VanDerWaalsContact C-N 3.31Å; Y57-T59 PolarHBondContact O-N 2.95Å; T59-A63 PolarHBondContact O-N 3.19Å; T59-A63 VanDerWaalsContact O-N 3.14Å; T59-Q412 HydrophobicContact CG2-CB 4.17Å; T59-Q412 HydrophobicContact CG2-CG 3.79Å; T59-Q441 PolarHBondContact OG1-NE2 3.45Å
60E95.7Very high95.1Very high46 Ų4617 Ų1722%0.2158%0.078CC..Hα-helixtrans-72.1-40.3-179.5-173.865.3-173.800112R21 L25 E56 Y57 Q58 A63 I64R21-E60 IonicContact CZ-OE1 2.73Å; R21-E60 VanDerWaalsContact CZ-OE1 3.23Å; R21-E60 IonicContact CZ-OE2 2.73Å; R21-E60 IonicContact NE-OE1 2.98Å; R21-E60 PolarHBondContact NE-OE1 3.38Å; R21-E60 IonicContact NE-OE2 3.45Å; R21-E60 IonicContact NH2-OE1 3.86Å; R21-E60 PolarHBondContact NH2-OE1 3.16Å; R21-E60 IonicContact NH2-OE2 3.3Å; R21-E60 PolarHBondContact NH2-OE2 3.4Å; L25-E60 HydrophobicContact CD1-CB 4.07Å; L25-E60 HydrophobicContact CD1-CG 4.04Å; L25-E60 HydrophobicContact CD2-CB 4.11Å; L25-E60 HydrophobicContact CD2-CG 3.94Å; L25-E60 HydrophobicContact CG-CG 4.4Å; E56-E60 PolarHBondContact O-N 3.23Å; E56-E60 VanDerWaalsContact O-N 3.13Å; Y57-E60 PolarHBondContact O-N 3.18Å; Q58-E60 PolarHBondContact O-N 3.36Å; E60-A63 PolarHBondContact O-N 3.23Å; E60-I64 HydrophobicContact CG-CD1 4.23Å; E60-I64 WeakPolarHBondContact O-CG1 3.38Å; E60-I64 PolarHBondContact O-N 2.84Å; E60-I64 VanDerWaalsContact O-N 3.12Å
61R96.1Very high95Very high67 Ų6717.6 Ų17.625%0.2538%0.08SC..Hα-helixtrans-60-47176.1176.5-91.2-165.6-163-12.8111.1L25 Y57 Q58 A63 I64 D65 L87 E91L25-R61 HydrophobicContact CD2-CB 4.04Å; Y57-R61 HydrophobicContact CD1-CB 4.19Å; Y57-R61 HydrophobicContact CE1-CB 3.98Å; Y57-R61 HydrophobicContact CE1-CG 4.02Å; Y57-R61 WeakPolarHBondContact O-CB 3.22Å; Y57-R61 PolarHBondContact O-N 3.4Å; Q58-R61 PolarHBondContact O-N 2.9Å; R61-A63 VanDerWaalsContact C-N 3.33Å; R61-A63 PolarHBondContact O-N 2.85Å; R61-I64 WeakPolarHBondContact O-CB 3.47Å; R61-I64 PolarHBondContact O-N 3.42Å; R61-I64 VanDerWaalsContact O-N 3.08Å; R61-D65 IonicContact CZ-OD2 3.58Å; R61-D65 IonicContact NE-OD2 2.96Å; R61-D65 IonicContact NH1-OD2 3.72Å; R61-D65 PolarHBondContact NH1-OD2 3.23Å; R61-D65 IonicContact NH2-OD2 2.65Å; R61-D65 PolarHBondContact O-N 3.33Å; R61-L87 HydrophobicContact CB-CD1 4.49Å; R61-L87 HydrophobicContact CG-CD1 4.08Å; R61-E91 IonicContact NE-OE1 3.97Å; R61-E91 PolarHBondContact NE-OE1 3.06Å
62N96Very high94.9Very high19 Ų1920.8 Ų20.810%0.10210%0.101CC..Hα-helixtrans-66.5-35.6178-64.5-18.4000111.5Q58 I64 D65 F66 G410 L411Q58-N62 VanDerWaalsContact O-CB 3.27Å; Q58-N62 WeakPolarHBondContact O-CB 3.47Å; Q58-N62 PolarHBondContact O-N 2.95Å; Q58-N62 PolarHBondContact O-ND2 3.27Å; Q58-N62 VanDerWaalsContact O-ND2 3.12Å; Q58-N62 PolarHBondContact O-OD1 3Å; N62-I64 PolarHBondContact O-N 2.92Å; N62-D65 PolarHBondContact O-N 3.15Å; N62-F66 WeakPolarHBondContact O-CB 3.24Å; N62-F66 PolarHBondContact O-N 2.93Å; N62-G410 PolarHBondContact ND2-O 3.48Å; N62-L411 WeakPolarHBondContact CB-O 3.34Å; N62-L411 PolarHBondContact ND2-O 3.49Å; N62-L411 VanDerWaalsContact ND2-O 3.12Å
63A95.7Very high95Very high2 Ų223 Ų232%0.01712%0.117CC..Hα-helixtrans-64.6-24.9173.200000113.3L9 T59 E60 R61L9-A63 HydrophobicContact CD2-CB 3.89Å; T59-A63 PolarHBondContact O-N 3.19Å; T59-A63 VanDerWaalsContact O-N 3.14Å; E60-A63 PolarHBondContact O-N 3.23Å; R61-A63 VanDerWaalsContact C-N 3.33Å; R61-A63 PolarHBondContact O-N 2.85Å
64I96.2Very high94.9Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-87.2-39.2176.8-70.2165.9000111.7I18 R21 L25 E60 R61 N62 P67 S80 A83 L87I18-I64 HydrophobicContact CG2-CG2 4.25Å; R21-I64 HydrophobicContact CB-CD1 3.92Å; R21-I64 HydrophobicContact CB-CG1 4.28Å; L25-I64 HydrophobicContact CD2-CD1 4.09Å; E60-I64 HydrophobicContact CG-CD1 4.23Å; E60-I64 WeakPolarHBondContact O-CG1 3.38Å; E60-I64 PolarHBondContact O-N 2.84Å; E60-I64 VanDerWaalsContact O-N 3.12Å; R61-I64 WeakPolarHBondContact O-CB 3.47Å; R61-I64 PolarHBondContact O-N 3.42Å; R61-I64 VanDerWaalsContact O-N 3.08Å; N62-I64 PolarHBondContact O-N 2.92Å; I64-P67 WeakPolarHBondContact O-CD 3.1Å; I64-S80 WeakPolarHBondContact O-CB 3.18Å; I64-S80 PolarHBondContact O-OG 3.14Å; I64-A83 HydrophobicContact CG2-CB 3.38Å; I64-L87 HydrophobicContact CB-CD1 4.32Å; I64-L87 HydrophobicContact CD1-CD1 4.31Å; I64-L87 HydrophobicContact CG2-CD1 3.9Å
65D93.4Very high95Very high13 Ų1330.2 Ų30.27%0.0716%0.158CC..Hα-helixtrans-79.7-34.9-17786.427.7000113.3R61 N62 P67 Q68 S80 T84R61-D65 IonicContact CZ-OD2 3.58Å; R61-D65 IonicContact NE-OD2 2.96Å; R61-D65 IonicContact NH1-OD2 3.72Å; R61-D65 PolarHBondContact NH1-OD2 3.23Å; R61-D65 IonicContact NH2-OD2 2.65Å; R61-D65 PolarHBondContact O-N 3.33Å; N62-D65 PolarHBondContact O-N 3.15Å; D65-P67 VanDerWaalsContact C-N 3.34Å; D65-Q68 WeakPolarHBondContact O-CG 3.49Å; D65-Q68 PolarHBondContact O-N 2.88Å; D65-Q68 PolarHBondContact O-NE2 3.41Å; D65-S80 PolarHBondContact O-OG 2.79Å; D65-T84 WeakPolarHBondContact CB-OG1 3.34Å
66F96.3Very high95.1Very high0 Ų031.3 Ų31.30%016%0.163CC..THydrogen-bonded Turntrans-66.2-32.7-166.7-176.6-113.3000113.1W11 N62 Q68 H69 T70 W371 F409 L411 A446 V448W11-F66 AromaticContact CH2-CD1 3.9Å; W11-F66 HydrophobicContact CH2-CD1 3.9Å; W11-F66 HydrophobicContact CZ3-CB 4.48Å; W11-F66 AromaticContact CZ3-CD1 3.89Å; W11-F66 HydrophobicContact CZ3-CD1 3.89Å; N62-F66 WeakPolarHBondContact O-CB 3.24Å; N62-F66 PolarHBondContact O-N 2.93Å; F66-Q68 PolarHBondContact O-N 2.66Å; F66-Q68 VanDerWaalsContact O-N 3.13Å; F66-H69 WeakPolarHBondContact O-CB 3.31Å; F66-H69 PolarHBondContact O-N 3.45Å; F66-T70 HydrophobicContact CE1-CG2 3.86Å; F66-T70 WeakPolarHBondContact CE1-OG1 3.4Å; F66-T70 HydrophobicContact CE2-CG2 3.83Å; F66-T70 HydrophobicContact CZ-CG2 3.42Å; F66-T70 VanDerWaalsContact CZ-CG2 3.42Å; F66-T70 PolarHBondContact O-OG1 3.03Å; F66-W371 HydrophobicContact CD1-CZ3 4.42Å; F66-W371 HydrophobicContact CE1-CD2 4.01Å; F66-W371 AromaticContact CE1-CE2 3.83Å; F66-W371 AromaticContact CE1-CE3 3.9Å; F66-W371 HydrophobicContact CE1-CE3 3.9Å; F66-W371 AromaticContact CE1-CH2 3.45Å; F66-W371 HydrophobicContact CE1-CH2 3.45Å; F66-W371 VanDerWaalsContact CE1-CH2 3.45Å; F66-W371 AromaticContact CE1-CZ2 3.56Å; F66-W371 HydrophobicContact CE1-CZ2 3.56Å; F66-W371 AromaticContact CE1-CZ3 3.63Å; F66-W371 HydrophobicContact CE1-CZ3 3.63Å; F66-W371 AromaticContact CZ-CH2 3.88Å; F66-W371 HydrophobicContact CZ-CH2 3.88Å; F66-W371 AromaticContact CZ-CZ2 3.78Å; F66-W371 HydrophobicContact CZ-CZ2 3.78Å; F66-W371 HydrophobicContact CZ-CZ3 4.49Å; F66-F409 HydrophobicContact CD2-CB 3.97Å; F66-F409 AromaticContact CD2-CD1 3.92Å; F66-F409 HydrophobicContact CD2-CD1 3.92Å; F66-F409 HydrophobicContact CD2-CD2 4.49Å; F66-F409 AromaticContact CD2-CG 3.88Å; F66-F409 HydrophobicContact CD2-CG 3.88Å; F66-F409 HydrophobicContact CE2-CB 3.67Å; F66-F409 AromaticContact CE2-CD1 3.96Å; F66-F409 HydrophobicContact CE2-CD1 3.96Å; F66-F409 AromaticContact CE2-CD2 3.71Å; F66-F409 HydrophobicContact CE2-CD2 3.71Å; F66-F409 HydrophobicContact CE2-CE2 4.33Å; F66-F409 AromaticContact CE2-CG 3.5Å; F66-F409 HydrophobicContact CE2-CG 3.5Å; F66-F409 VanDerWaalsContact CE2-CG 3.5Å; F66-L411 HydrophobicContact CB-CD2 4.04Å; F66-L411 HydrophobicContact CD1-CD2 4.05Å; F66-L411 HydrophobicContact CD2-CD2 3.75Å; F66-L411 HydrophobicContact CE1-CD2 4.44Å; F66-L411 HydrophobicContact CE2-CD2 4.18Å; F66-L411 HydrophobicContact CG-CD2 3.67Å; F66-L411 HydrophobicContact CZ-CD2 4.49Å; F66-A446 HydrophobicContact CE1-CB 4.37Å; F66-A446 HydrophobicContact CE2-CB 4.29Å; F66-A446 HydrophobicContact CZ-CB 3.69Å; F66-V448 HydrophobicContact CE2-CG2 4.39Å; F66-V448 HydrophobicContact CZ-CG2 4.29Å
67P96.5Very high95.1Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-53.7-32.9176.5-29.336000115.1I64 D65 H69 T70 F71 I76I64-P67 WeakPolarHBondContact O-CD 3.1Å; D65-P67 VanDerWaalsContact C-N 3.34Å; P67-H69 PolarHBondContact O-N 2.75Å; P67-H69 VanDerWaalsContact O-N 3.08Å; P67-T70 PolarHBondContact O-N 2.86Å; P67-F71 VanDerWaalsContact CA-CD2 3.43Å; P67-F71 HydrophobicContact CB-CB 4.3Å; P67-F71 HydrophobicContact CB-CD1 4.35Å; P67-F71 HydrophobicContact CB-CD2 3.55Å; P67-F71 HydrophobicContact CB-CE2 3.8Å; P67-F71 HydrophobicContact CB-CG 3.81Å; P67-F71 HydrophobicContact CB-CZ 4.31Å; P67-F71 HydrophobicContact CG-CD2 4.09Å; P67-F71 HydrophobicContact CG-CE2 3.8Å; P67-F71 HydrophobicContact CG-CZ 4.16Å; P67-F71 WeakPolarHBondContact O-CB 3.39Å; P67-F71 PolarHBondContact O-N 2.96Å; P67-I76 HydrophobicContact CB-CG2 3.82Å
68Q94.2Very high95Very high43 Ų4335 Ų3520%0.20118%0.182CC..Hα-helixtrans-58.8-23.9178.383.2-165.3-70.200113.2D65 F66 R77 S80 T84D65-Q68 WeakPolarHBondContact O-CG 3.49Å; D65-Q68 PolarHBondContact O-N 2.88Å; D65-Q68 PolarHBondContact O-NE2 3.41Å; F66-Q68 PolarHBondContact O-N 2.66Å; F66-Q68 VanDerWaalsContact O-N 3.13Å; Q68-R77 WeakPolarHBondContact O-CD 3.06Å; Q68-S80 WeakPolarHBondContact CB-OG 3.35Å; Q68-S80 PolarHBondContact N-OG 3.01Å; Q68-S80 VanDerWaalsContact N-OG 3.08Å; Q68-T84 PolarHBondContact NE2-OG1 3.28Å
69H91.9Very high95Very high45 Ų4532.6 Ų32.621%0.20817%0.172CC..Hα-helixtrans-94.8-22.1-176.7-58.6-53.5000113.5F66 P67 K402 Y403 F409F66-H69 WeakPolarHBondContact O-CB 3.31Å; F66-H69 PolarHBondContact O-N 3.45Å; P67-H69 PolarHBondContact O-N 2.75Å; P67-H69 VanDerWaalsContact O-N 3.08Å; H69-K402 CarbonylContact O-C 3.44Å; H69-K402 WeakPolarHBondContact O-CA 3.19Å; H69-Y403 PolarHBondContact O-N 3.11Å; H69-F409 HydrophobicContact CB-CE1 4.42Å; H69-F409 HydrophobicContact CB-CZ 4.28Å; H69-F409 AromaticContact CD2-CE1 3.55Å; H69-F409 AromaticContact CG-CE1 3.94Å; H69-F409 AromaticContact NE2-CE1 3.99Å
70T95.2Very high95.1Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-135.9-21.5-164.657.70000115.4F66 P67 R399 V448F66-T70 HydrophobicContact CE1-CG2 3.86Å; F66-T70 WeakPolarHBondContact CE1-OG1 3.4Å; F66-T70 HydrophobicContact CE2-CG2 3.83Å; F66-T70 HydrophobicContact CZ-CG2 3.42Å; F66-T70 VanDerWaalsContact CZ-CG2 3.42Å; F66-T70 PolarHBondContact O-OG1 3.03Å; P67-T70 PolarHBondContact O-N 2.86Å; T70-R399 PolarHBondContact O-NE 3.33Å; T70-R399 PolarHBondContact O-NH2 3.35Å; T70-V448 HydrophobicContact CG2-CG2 4.06Å
71F94.9Very high94.9Very high12 Ų1232.7 Ų32.75%0.05318%0.178CC..  trans-75.8137.1-174-87-127.4000111.4W11 T13 P67 C73 I76 R77 W371W11-F71 HydrophobicContact CB-CZ 4.06Å; W11-F71 HydrophobicContact CE3-CE2 4.34Å; W11-F71 HydrophobicContact CE3-CZ 4.43Å; W11-F71 VanDerWaalsContact O-CE1 3.27Å; W11-F71 WeakPolarHBondContact O-CE1 3.39Å; W11-F71 WeakPolarHBondContact O-CZ 3.26Å; T13-F71 HydrophobicContact CG2-CE1 3.93Å; T13-F71 HydrophobicContact CG2-CZ 4.27Å; P67-F71 VanDerWaalsContact CA-CD2 3.43Å; P67-F71 HydrophobicContact CB-CB 4.3Å; P67-F71 HydrophobicContact CB-CD1 4.35Å; P67-F71 HydrophobicContact CB-CD2 3.55Å; P67-F71 HydrophobicContact CB-CE2 3.8Å; P67-F71 HydrophobicContact CB-CG 3.81Å; P67-F71 HydrophobicContact CB-CZ 4.31Å; P67-F71 HydrophobicContact CG-CD2 4.09Å; P67-F71 HydrophobicContact CG-CE2 3.8Å; P67-F71 HydrophobicContact CG-CZ 4.16Å; P67-F71 WeakPolarHBondContact O-CB 3.39Å; P67-F71 PolarHBondContact O-N 2.96Å; F71-C73 VanDerWaalsContact C-N 3.31Å; F71-C73 PolarHBondContact O-N 3.44Å; F71-I76 HydrophobicContact CB-CG2 4.17Å; F71-I76 HydrophobicContact CD1-CB 4.37Å; F71-I76 HydrophobicContact CD1-CD1 3.96Å; F71-I76 HydrophobicContact CD1-CG2 3.62Å; F71-I76 HydrophobicContact CE1-CD1 4.41Å; F71-I76 HydrophobicContact CE1-CG2 4.24Å; F71-I76 HydrophobicContact CG-CG2 4.05Å; F71-R77 HydrophobicContact CB-CG 4.37Å; F71-R77 VanDerWaalsContact O-CD 3.26Å; F71-R77 WeakPolarHBondContact O-CD 3.34Å; F71-R77 WeakPolarHBondContact O-CG 3.24Å; F71-R77 PolarHBondContact O-NH1 3.04Å; F71-W371 HydrophobicContact CD2-CB 3.59Å; F71-W371 HydrophobicContact CD2-CG 4.19Å; F71-W371 HydrophobicContact CE1-CB 4.33Å; F71-W371 HydrophobicContact CE2-CB 3.21Å; F71-W371 HydrophobicContact CE2-CG 4.01Å; F71-W371 HydrophobicContact CG-CB 4.34Å; F71-W371 HydrophobicContact CZ-CB 3.64Å
72P92.4Very high94.8Very high68 Ų6832.9 Ų32.944%0.44218%0.184SC..SBendtrans-69.4-28.4179.527.2-34.4000112.8K74 R77P72-K74 PolarHBondContact O-N 3.3Å; P72-R77 PolarHBondContact O-NH1 3.01Å
73C95Very high94.8Very high58 Ų5832.1 Ų32.139%0.39218%0.18SC..  trans-77.3116.4-179.3-177.40000112F71 A75 I76 R77F71-C73 VanDerWaalsContact C-N 3.31Å; F71-C73 PolarHBondContact O-N 3.44Å; C73-A75 VanDerWaalsContact C-N 3.34Å; C73-A75 PolarHBondContact O-N 3.48Å; C73-I76 HydrophobicContact CB-CB 4.16Å; C73-I76 HydrophobicContact CB-CD1 3.9Å; C73-I76 HydrophobicContact CB-CG1 4.01Å; C73-I76 PolarHBondContact O-N 2.87Å; C73-R77 PolarHBondContact O-N 3.1Å; C73-R77 VanDerWaalsContact O-N 3.13Å
74K93.9Very high94.6Very high121 Ų12133.1 Ų33.153%0.52619%0.186SC..Hα-helixtrans-56.7-43.3177.9-170.3-172.1-177.6-52.60113P72 I76 R77 D78P72-K74 PolarHBondContact O-N 3.3Å; K74-I76 VanDerWaalsContact C-N 3.27Å; K74-I76 PolarHBondContact O-N 3.18Å; K74-R77 WeakPolarHBondContact O-CB 3.43Å; K74-R77 PolarHBondContact O-N 3.36Å; K74-R77 VanDerWaalsContact O-N 3.08Å; K74-D78 IonicContact NZ-OD1 3.74Å; K74-D78 PolarHBondContact NZ-OD1 2.89Å; K74-D78 IonicContact NZ-OD2 3.58Å; K74-D78 PolarHBondContact NZ-OD2 3.35Å; K74-D78 VanDerWaalsContact O-CG 3.25Å; K74-D78 PolarHBondContact O-N 2.95Å
75A96.9Very high94.3Very high51 Ų5140.3 Ų40.342%0.42121%0.213SC..Hα-helixtrans-62-35.6-178.800000112.6V15 C73 A79V15-A75 HydrophobicContact CG2-CB 4.06Å; V15-A75 WeakPolarHBondContact CG2-O 3.26Å; C73-A75 VanDerWaalsContact C-N 3.34Å; C73-A75 PolarHBondContact O-N 3.48Å; A75-A79 WeakPolarHBondContact O-CB 3.07Å; A75-A79 PolarHBondContact O-N 3.39Å
76I96.6Very high94.4Very high23 Ų2344.5 Ų44.512%0.11823%0.231CC..Hα-helixtrans-68-43.8173.7-66.3177.6000110.4T13 V15 I18 P67 F71 C73 K74 A79 S80T13-I76 HydrophobicContact CG2-CG2 4.25Å; T13-I76 WeakPolarHBondContact O-CD1 3.49Å; V15-I76 HydrophobicContact CG2-CG1 4.36Å; I18-I76 HydrophobicContact CD1-CG2 3.8Å; P67-I76 HydrophobicContact CB-CG2 3.82Å; F71-I76 HydrophobicContact CB-CG2 4.17Å; F71-I76 HydrophobicContact CD1-CB 4.37Å; F71-I76 HydrophobicContact CD1-CD1 3.96Å; F71-I76 HydrophobicContact CD1-CG2 3.62Å; F71-I76 HydrophobicContact CE1-CD1 4.41Å; F71-I76 HydrophobicContact CE1-CG2 4.24Å; F71-I76 HydrophobicContact CG-CG2 4.05Å; C73-I76 HydrophobicContact CB-CB 4.16Å; C73-I76 HydrophobicContact CB-CD1 3.9Å; C73-I76 HydrophobicContact CB-CG1 4.01Å; C73-I76 PolarHBondContact O-N 2.87Å; K74-I76 VanDerWaalsContact C-N 3.27Å; K74-I76 PolarHBondContact O-N 3.18Å; I76-A79 PolarHBondContact O-N 3.07Å; I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.5Å; I76-S80 PolarHBondContact O-N 3.3Å
77R94.4Very high94.3Very high30 Ų3044.5 Ų44.511%0.11323%0.231CC..Hα-helixtrans-61.2-45.5176.7-64.2-164.2-60.6-85.43.3112.3Q68 F71 P72 C73 K74 A79 S80 C81 G401Q68-R77 WeakPolarHBondContact O-CD 3.06Å; F71-R77 HydrophobicContact CB-CG 4.37Å; F71-R77 VanDerWaalsContact O-CD 3.26Å; F71-R77 WeakPolarHBondContact O-CD 3.34Å; F71-R77 WeakPolarHBondContact O-CG 3.24Å; F71-R77 PolarHBondContact O-NH1 3.04Å; P72-R77 PolarHBondContact O-NH1 3.01Å; C73-R77 PolarHBondContact O-N 3.1Å; C73-R77 VanDerWaalsContact O-N 3.13Å; K74-R77 WeakPolarHBondContact O-CB 3.43Å; K74-R77 PolarHBondContact O-N 3.36Å; K74-R77 VanDerWaalsContact O-N 3.08Å; R77-A79 VanDerWaalsContact C-N 3.35Å; R77-A79 PolarHBondContact O-N 2.99Å; R77-S80 PolarHBondContact O-N 2.97Å; R77-C81 WeakPolarHBondContact O-CB 3.45Å; R77-C81 PolarHBondContact O-N 3.46Å; R77-G401 WeakPolarHBondContact CD-O 3.39Å
78D93.1Very high94Very high72 Ų7246.7 Ų46.739%0.38525%0.246SC..Hα-helixtrans-60.3-45.8177.8-65.2-17.8000110.4K74 S80 C81 D82K74-D78 IonicContact NZ-OD1 3.74Å; K74-D78 PolarHBondContact NZ-OD1 2.89Å; K74-D78 IonicContact NZ-OD2 3.58Å; K74-D78 PolarHBondContact NZ-OD2 3.35Å; K74-D78 VanDerWaalsContact O-CG 3.25Å; K74-D78 PolarHBondContact O-N 2.95Å; D78-S80 VanDerWaalsContact C-N 3.35Å; D78-S80 PolarHBondContact O-N 3.28Å; D78-C81 PolarHBondContact O-N 2.93Å; D78-D82 PolarHBondContact O-N 3.45Å
79A96.5Very high93.8Very high10 Ų1050.1 Ų50.18%0.08327%0.266CS..Hα-helixtrans-63.8-38177.100000113.1V15 I18 A75 I76 R77 D82 A83V15-A79 HydrophobicContact CB-CB 4.33Å; V15-A79 HydrophobicContact CG1-CB 3.85Å; V15-A79 HydrophobicContact CG2-CB 4.15Å; I18-A79 HydrophobicContact CD1-CB 4.36Å; I18-A79 HydrophobicContact CG2-CB 4.25Å; A75-A79 WeakPolarHBondContact O-CB 3.07Å; A75-A79 PolarHBondContact O-N 3.39Å; I76-A79 PolarHBondContact O-N 3.07Å; R77-A79 VanDerWaalsContact C-N 3.35Å; R77-A79 PolarHBondContact O-N 2.99Å; A79-D82 PolarHBondContact O-N 2.73Å; A79-A83 WeakPolarHBondContact O-CB 3.48Å; A79-A83 PolarHBondContact O-N 3.21Å
80S95.8Very high94Very high0 Ų048.2 Ų48.20%026%0.257CS..Hα-helixtrans-67.5-40.3175.81770000111.9I64 D65 Q68 I76 R77 D78 A83 T84I64-S80 WeakPolarHBondContact O-CB 3.18Å; I64-S80 PolarHBondContact O-OG 3.14Å; D65-S80 PolarHBondContact O-OG 2.79Å; Q68-S80 WeakPolarHBondContact CB-OG 3.35Å; Q68-S80 PolarHBondContact N-OG 3.01Å; Q68-S80 VanDerWaalsContact N-OG 3.08Å; I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.5Å; I76-S80 PolarHBondContact O-N 3.3Å; R77-S80 PolarHBondContact O-N 2.97Å; D78-S80 VanDerWaalsContact C-N 3.35Å; D78-S80 PolarHBondContact O-N 3.28Å; S80-A83 PolarHBondContact O-N 2.89Å; S80-T84 WeakPolarHBondContact O-CB 3.26Å; S80-T84 PolarHBondContact O-N 2.76Å; S80-T84 PolarHBondContact O-OG1 3.17Å
81C92.5Very high94Very high53 Ų5350.6 Ų50.636%0.35827%0.269SS..Hα-helixtrans-62.4-46172.3-176.90000111.4R77 D78 A83 T84 R85R77-C81 WeakPolarHBondContact O-CB 3.45Å; R77-C81 PolarHBondContact O-N 3.46Å; D78-C81 PolarHBondContact O-N 2.93Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.02Å; C81-T84 WeakPolarHBondContact O-CB 3.16Å; C81-T84 PolarHBondContact O-N 3.43Å; C81-R85 WeakPolarHBondContact O-CG 3.03Å; C81-R85 PolarHBondContact O-N 2.95Å
82D93.2Very high93.8Very high70 Ų7053.8 Ų53.837%0.37429%0.289SS..Hα-helixtrans-60.9-41.1175.5-77.5-2.5000112.8D78 A79 R85 K86D78-D82 PolarHBondContact O-N 3.45Å; A79-D82 PolarHBondContact O-N 2.73Å; D82-R85 IonicContact OD1-CZ 3.99Å; D82-R85 IonicContact OD1-NE 3.93Å; D82-R85 IonicContact OD1-NH2 2.67Å; D82-R85 PolarHBondContact OD1-NH2 3.48Å; D82-K86 WeakPolarHBondContact O-CG 3.46Å; D82-K86 PolarHBondContact O-N 3.44Å
83A95.9Very high93.9Very high3 Ų354 Ų543%0.02528%0.284CS..Hα-helixtrans-64.9-43.7175.300000111.9I18 T22 I64 A79 S80 C81 R85 K86 L87I18-A83 HydrophobicContact CG2-CB 3.78Å; T22-A83 HydrophobicContact CG2-CB 4.04Å; T22-A83 WeakPolarHBondContact OG1-CB 3.16Å; I64-A83 HydrophobicContact CG2-CB 3.38Å; A79-A83 WeakPolarHBondContact O-CB 3.48Å; A79-A83 PolarHBondContact O-N 3.21Å; S80-A83 PolarHBondContact O-N 2.89Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 3.02Å; A83-R85 VanDerWaalsContact C-N 3.29Å; A83-R85 PolarHBondContact O-N 3.08Å; A83-K86 PolarHBondContact O-N 3.19Å; A83-K86 VanDerWaalsContact O-N 3.15Å; A83-L87 WeakPolarHBondContact O-CG 3.11Å; A83-L87 PolarHBondContact O-N 3.19Å
84T92.4Very high93.9Very high23 Ų2351.6 Ų51.614%0.14127%0.267CS..Hα-helixtrans-57-43.4177.5-58.60000111.2D65 Q68 S80 C81 L87 S88D65-T84 WeakPolarHBondContact CB-OG1 3.34Å; Q68-T84 PolarHBondContact NE2-OG1 3.28Å; S80-T84 WeakPolarHBondContact O-CB 3.26Å; S80-T84 PolarHBondContact O-N 2.76Å; S80-T84 PolarHBondContact O-OG1 3.17Å; C81-T84 WeakPolarHBondContact O-CB 3.16Å; C81-T84 PolarHBondContact O-N 3.43Å; T84-L87 PolarHBondContact O-N 3.41Å; T84-S88 WeakPolarHBondContact O-CB 3.5Å; T84-S88 PolarHBondContact O-N 2.9Å; T84-S88 PolarHBondContact O-OG 3.38Å
85R89.3Confident93.9Very high151 Ų15151.1 Ų51.157%0.5727%0.267SS*.Hα-helixtrans-59-49.9175.3-68.2-172.1-66.1144.3-5.6111.9C81 D82 A83 L87 S88 D89C81-R85 WeakPolarHBondContact O-CG 3.03Å; C81-R85 PolarHBondContact O-N 2.95Å; D82-R85 IonicContact OD1-CZ 3.99Å; D82-R85 IonicContact OD1-NE 3.93Å; D82-R85 IonicContact OD1-NH2 2.67Å; D82-R85 PolarHBondContact OD1-NH2 3.48Å; A83-R85 VanDerWaalsContact C-N 3.29Å; A83-R85 PolarHBondContact O-N 3.08Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.8Å; R85-S88 PolarHBondContact O-N 3.5Å; R85-D89 PolarHBondContact O-N 3.16Å
86K95.1Very high93.7Very high101 Ų10151 Ų5144%0.43926%0.258SS..Hα-helixtrans-63.3-38.1179.5-67.9172.1-177.7172.20113T22 I26 D82 A83 V90T22-K86 HydrophobicContact CG2-CB 4.29Å; T22-K86 HydrophobicContact CG2-CD 4.44Å; I26-K86 HydrophobicContact CD1-CB 4.13Å; D82-K86 WeakPolarHBondContact O-CG 3.46Å; D82-K86 PolarHBondContact O-N 3.44Å; A83-K86 PolarHBondContact O-N 3.19Å; A83-K86 VanDerWaalsContact O-N 3.15Å; K86-V90 WeakPolarHBondContact O-CG2 3.34Å; K86-V90 PolarHBondContact O-N 3.4Å
87L95.4Very high93.7Very high1 Ų151.9 Ų51.91%0.00526%0.26CS..Hα-helixtrans-69.3-41.5177.3-69.1171.7000110.8T22 L25 I26 R61 I64 A83 T84 R85 D89 V90 E91T22-L87 HydrophobicContact CG2-CD2 4.21Å; T22-L87 HydrophobicContact CG2-CG 4.1Å; L25-L87 HydrophobicContact CB-CD2 4.44Å; L25-L87 HydrophobicContact CD2-CD1 4.32Å; L25-L87 HydrophobicContact CD2-CD2 3.86Å; L25-L87 HydrophobicContact CG-CD2 4.25Å; I26-L87 HydrophobicContact CD1-CD2 4.42Å; I26-L87 HydrophobicContact CG1-CD2 3.84Å; R61-L87 HydrophobicContact CB-CD1 4.49Å; R61-L87 HydrophobicContact CG-CD1 4.08Å; I64-L87 HydrophobicContact CB-CD1 4.32Å; I64-L87 HydrophobicContact CD1-CD1 4.31Å; I64-L87 HydrophobicContact CG2-CD1 3.9Å; A83-L87 WeakPolarHBondContact O-CG 3.11Å; A83-L87 PolarHBondContact O-N 3.19Å; T84-L87 PolarHBondContact O-N 3.41Å; R85-L87 VanDerWaalsContact C-N 3.34Å; R85-L87 PolarHBondContact O-N 2.8Å; L87-D89 VanDerWaalsContact C-N 3.32Å; L87-D89 PolarHBondContact O-N 2.87Å; L87-V90 CarbonylContact O-C 3.58Å; L87-V90 PolarHBondContact O-N 3.02Å; L87-V90 VanDerWaalsContact O-N 3.1Å; L87-E91 WeakPolarHBondContact O-CG 3.45Å; L87-E91 PolarHBondContact O-N 2.94Å
88S90.5Very high93.7Very high45 Ų4553.6 Ų53.632%0.31527%0.268SS..Hα-helixtrans-59.3-42.3174.8-54.70000111.7T84 R85 V90 E91 V92T84-S88 WeakPolarHBondContact O-CB 3.5Å; T84-S88 PolarHBondContact O-N 2.9Å; T84-S88 PolarHBondContact O-OG 3.38Å; R85-S88 PolarHBondContact O-N 3.5Å; S88-V90 VanDerWaalsContact C-N 3.28Å; S88-V90 PolarHBondContact O-N 3.27Å; S88-E91 PolarHBondContact O-N 3.34Å; S88-V92 WeakPolarHBondContact O-CG2 3.47Å; S88-V92 PolarHBondContact O-N 3.42Å
89D90.1Very high93.9Very high115 Ų11552.8 Ų52.862%0.61526%0.264SS*.Hα-helixtrans-59.4-40175.9-69.5-23.2000111.8R85 L87 E93R85-D89 PolarHBondContact O-N 3.16Å; L87-D89 VanDerWaalsContact C-N 3.32Å; L87-D89 PolarHBondContact O-N 2.87Å; D89-E93 PolarHBondContact O-N 3.27Å
90V95Very high94Very high5 Ų552.6 Ų52.63%0.0326%0.262CS..Hα-helixtrans-74.8-38178.3172.30000111.5I26 K86 L87 S88 V92 E93 L94I26-V90 HydrophobicContact CB-CG2 4.33Å; I26-V90 HydrophobicContact CD1-CG2 4.02Å; I26-V90 HydrophobicContact CG1-CB 4.39Å; I26-V90 HydrophobicContact CG1-CG2 3.85Å; I26-V90 HydrophobicContact CG2-CG1 4.39Å; I26-V90 HydrophobicContact CG2-CG2 3.69Å; K86-V90 WeakPolarHBondContact O-CG2 3.34Å; K86-V90 PolarHBondContact O-N 3.4Å; L87-V90 CarbonylContact O-C 3.58Å; L87-V90 PolarHBondContact O-N 3.02Å; L87-V90 VanDerWaalsContact O-N 3.1Å; S88-V90 VanDerWaalsContact C-N 3.28Å; S88-V90 PolarHBondContact O-N 3.27Å; V90-V92 VanDerWaalsContact C-N 3.29Å; V90-V92 PolarHBondContact O-N 2.85Å; V90-E93 WeakPolarHBondContact O-CB 3.39Å; V90-E93 PolarHBondContact O-N 2.76Å; V90-E93 VanDerWaalsContact O-N 3.17Å; V90-L94 HydrophobicContact CG1-CD1 3.95Å; V90-L94 HydrophobicContact CG1-CG 4.14Å; V90-L94 WeakPolarHBondContact O-CG 3.37Å; V90-L94 PolarHBondContact O-N 3.44Å
91E94.7Very high94.1Very high50 Ų5053.5 Ų53.523%0.23427%0.266CS..Hα-helixtrans-55.9-46.5172.9-71.6165.7177.800110.4Y57 R61 L87 S88 L94 E95Y57-E91 HydrophobicContact CE1-CG 4.02Å; Y57-E91 WeakPolarHBondContact CE1-OE1 3.18Å; Y57-E91 WeakPolarHBondContact OH-CG 3.47Å; Y57-E91 PolarHBondContact OH-OE1 3.48Å; R61-E91 IonicContact NE-OE1 3.97Å; R61-E91 PolarHBondContact NE-OE1 3.06Å; L87-E91 WeakPolarHBondContact O-CG 3.45Å; L87-E91 PolarHBondContact O-N 2.94Å; S88-E91 PolarHBondContact O-N 3.34Å; E91-L94 PolarHBondContact O-N 2.7Å; E91-E95 WeakPolarHBondContact O-CB 3.35Å; E91-E95 VanDerWaalsContact O-CG 3.31Å; E91-E95 WeakPolarHBondContact O-CG 3.45Å; E91-E95 PolarHBondContact O-N 2.67Å
92V90.7Very high94.4Very high79 Ų7955.6 Ų55.648%0.47927%0.27SS..Hα-helixtrans-61.8-45174.61740000111.8S88 V90 L94 E95 M96S88-V92 WeakPolarHBondContact O-CG2 3.47Å; S88-V92 PolarHBondContact O-N 3.42Å; V90-V92 VanDerWaalsContact C-N 3.29Å; V90-V92 PolarHBondContact O-N 2.85Å; V92-L94 VanDerWaalsContact C-N 3.3Å; V92-L94 PolarHBondContact O-N 3.4Å; V92-E95 PolarHBondContact O-N 3.22Å; V92-M96 HydrophobicContact CG1-CG 4.41Å; V92-M96 WeakPolarHBondContact O-CB 3.49Å; V92-M96 VanDerWaalsContact O-CG 3.23Å; V92-M96 WeakPolarHBondContact O-CG 3.34Å; V92-M96 PolarHBondContact O-N 3.27Å; V92-M96 VanDerWaalsContact O-N 3.09Å
93E94.6Very high94.6Very high72 Ų7254.5 Ų54.534%0.33626%0.262SS..Hα-helixtrans-53.7-48.2175.3179.6-167.8141.400111.3R30 D89 V90 M96R30-E93 IonicContact CZ-OE1 3.56Å; R30-E93 IonicContact CZ-OE2 2.68Å; R30-E93 IonicContact NE-OE1 2.85Å; R30-E93 PolarHBondContact NE-OE1 3.36Å; R30-E93 IonicContact NE-OE2 2.98Å; R30-E93 PolarHBondContact NE-OE2 2.93Å; R30-E93 IonicContact NH2-OE1 3.34Å; R30-E93 IonicContact NH2-OE2 3.23Å; R30-E93 PolarHBondContact NH2-OE2 3.29Å; D89-E93 PolarHBondContact O-N 3.27Å; V90-E93 WeakPolarHBondContact O-CB 3.39Å; V90-E93 PolarHBondContact O-N 2.76Å; V90-E93 VanDerWaalsContact O-N 3.17Å; E93-M96 PolarHBondContact O-N 3.03Å
94L96Very high94.8Very high9 Ų954.7 Ų54.75%0.04726%0.263CS..Hα-helixtrans-70.1-40.8-177.4-62.8177.4000112.3A29 Y33 V90 E91 V92 M96 R97A29-L94 HydrophobicContact CB-CD1 3.73Å; Y33-L94 HydrophobicContact CD1-CB 4.03Å; Y33-L94 HydrophobicContact CD1-CD2 3.94Å; Y33-L94 HydrophobicContact CD1-CG 4.47Å; Y33-L94 HydrophobicContact CD2-CD1 4.08Å; Y33-L94 HydrophobicContact CD2-CD2 3.88Å; Y33-L94 HydrophobicContact CD2-CG 4.36Å; Y33-L94 HydrophobicContact CE1-CB 3.79Å; Y33-L94 HydrophobicContact CE2-CB 4.31Å; Y33-L94 HydrophobicContact CE2-CD1 3.97Å; Y33-L94 HydrophobicContact CE2-CD2 4.44Å; Y33-L94 HydrophobicContact CE2-CG 4.46Å; Y33-L94 HydrophobicContact CG-CB 4.41Å; Y33-L94 HydrophobicContact CG-CD2 3.61Å; Y33-L94 HydrophobicContact CG-CG 4.38Å; V90-L94 HydrophobicContact CG1-CD1 3.95Å; V90-L94 HydrophobicContact CG1-CG 4.14Å; V90-L94 WeakPolarHBondContact O-CG 3.37Å; V90-L94 PolarHBondContact O-N 3.44Å; E91-L94 PolarHBondContact O-N 2.7Å; V92-L94 VanDerWaalsContact C-N 3.3Å; V92-L94 PolarHBondContact O-N 3.4Å; L94-M96 PolarHBondContact O-N 3.34Å; L94-R97 VanDerWaalsContact O-CB 3.27Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 WeakPolarHBondContact O-CG 3.42Å; L94-R97 PolarHBondContact O-N 2.66Å
95E93.8Very high95Very high111 Ų11154.8 Ų54.852%0.51926%0.263SS..Hα-helixtrans-63.7-23.5175.4-76.6-176178.600113.1E91 V92 L135E91-E95 WeakPolarHBondContact O-CB 3.35Å; E91-E95 VanDerWaalsContact O-CG 3.31Å; E91-E95 WeakPolarHBondContact O-CG 3.45Å; E91-E95 PolarHBondContact O-N 2.67Å; V92-E95 PolarHBondContact O-N 3.22Å; E95-L135 WeakPolarHBondContact O-CD1 3.49Å
96M93.1Very high95.4Very high49 Ų4949.7 Ų49.724%0.24125%0.25CS..THydrogen-bonded Turntrans-93.14.4178.9-65.6-59.5-68.900113.9V92 E93 L94 K98 N133 L135V92-M96 HydrophobicContact CG1-CG 4.41Å; V92-M96 WeakPolarHBondContact O-CB 3.49Å; V92-M96 VanDerWaalsContact O-CG 3.23Å; V92-M96 WeakPolarHBondContact O-CG 3.34Å; V92-M96 PolarHBondContact O-N 3.27Å; V92-M96 VanDerWaalsContact O-N 3.09Å; E93-M96 PolarHBondContact O-N 3.03Å; L94-M96 PolarHBondContact O-N 3.34Å; M96-K98 PolarHBondContact O-N 3.36Å; M96-N133 HydrophobicContact SD-CB 3.83Å; M96-L135 HydrophobicContact CE-CD2 4.08Å; M96-L135 WeakPolarHBondContact O-CD2 3.38Å; M96-L135 HydrophobicContact SD-CD2 4.3Å
97R95.5Very high95.6Very high41 Ų4145 Ų4516%0.15523%0.23CC..  trans-69.493.7178.9-72.6-72.1-65.4-98.13112.5Y33 D34 L94 D99 V100 F101Y33-R97 HydrophobicContact CD1-CB 4.42Å; Y33-R97 HydrophobicContact CD1-CG 4.22Å; Y33-R97 PolarHBondContact O-NH2 3.46Å; D34-R97 IonicContact OD1-CZ 2.82Å; D34-R97 VanDerWaalsContact OD1-CZ 3.3Å; D34-R97 IonicContact OD1-NH1 3.89Å; D34-R97 PolarHBondContact OD1-NH1 2.77Å; D34-R97 IonicContact OD1-NH2 2.63Å; D34-R97 PolarHBondContact OD1-NH2 2.86Å; L94-R97 VanDerWaalsContact O-CB 3.27Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 WeakPolarHBondContact O-CG 3.42Å; L94-R97 PolarHBondContact O-N 2.66Å; R97-D99 VanDerWaalsContact C-N 3.3Å; R97-D99 WeakPolarHBondContact CB-OD1 3.35Å; R97-D99 IonicContact CZ-OD1 3.79Å; R97-D99 IonicContact CZ-OD2 3.88Å; R97-D99 IonicContact NE-OD1 3.94Å; R97-D99 PolarHBondContact NE-OD1 2.92Å; R97-D99 IonicContact NE-OD2 3.45Å; R97-D99 PolarHBondContact NE-OD2 3.02Å; R97-D99 IonicContact NH2-OD1 2.8Å; R97-D99 IonicContact NH2-OD2 2.97Å; R97-D99 PolarHBondContact NH2-OD2 2.81Å; R97-D99 PolarHBondContact O-N 3.44Å; R97-V100 HydrophobicContact CB-CB 4.01Å; R97-V100 HydrophobicContact CB-CG2 4.02Å; R97-V100 PolarHBondContact O-N 2.66Å; R97-F101 PolarHBondContact O-N 3.13Å
98K95.4Very high95.6Very high65 Ų6547.6 Ų47.628%0.28324%0.242SC..Hα-helixtrans-57.7-40.6177.8-172-178.9-174.2176.50112.8M96 V100 F101 E102M96-K98 PolarHBondContact O-N 3.36Å; K98-V100 VanDerWaalsContact C-N 3.32Å; K98-V100 PolarHBondContact O-N 3.02Å; K98-F101 PolarHBondContact O-N 2.94Å; K98-E102 VanDerWaalsContact CE-OE1 3.23Å; K98-E102 WeakPolarHBondContact CE-OE1 2.98Å; K98-E102 HydrophobicContact CG-CG 4.37Å; K98-E102 WeakPolarHBondContact O-CG 3.31Å; K98-E102 PolarHBondContact O-N 3.45Å
99D97.4Very high95.9Very high55 Ų5553.1 Ų53.129%0.29426%0.261SS..Hα-helixtrans-59.5-41.3178.160-36.9000112G37 R97 K103G37-D99 WeakPolarHBondContact CA-OD2 3.27Å; R97-D99 VanDerWaalsContact C-N 3.3Å; R97-D99 WeakPolarHBondContact CB-OD1 3.35Å; R97-D99 IonicContact CZ-OD1 3.79Å; R97-D99 IonicContact CZ-OD2 3.88Å; R97-D99 IonicContact NE-OD1 3.94Å; R97-D99 PolarHBondContact NE-OD1 2.92Å; R97-D99 IonicContact NE-OD2 3.45Å; R97-D99 PolarHBondContact NE-OD2 3.02Å; R97-D99 IonicContact NH2-OD1 2.8Å; R97-D99 IonicContact NH2-OD2 2.97Å; R97-D99 PolarHBondContact NH2-OD2 2.81Å; R97-D99 PolarHBondContact O-N 3.44Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.49Å
100V98.3Very high96.1Very high6 Ų653.1 Ų53.14%0.03626%0.261CS..Hα-helixtrans-72.3-41.6175.1176.40000111.5Y33 V36 R97 K98 E102 K103 F104Y33-V100 HydrophobicContact CD1-CB 4.34Å; Y33-V100 HydrophobicContact CD1-CG1 4.19Å; Y33-V100 HydrophobicContact CD1-CG2 3.87Å; Y33-V100 HydrophobicContact CE1-CG1 4.24Å; V36-V100 HydrophobicContact CG1-CG1 4.05Å; V36-V100 HydrophobicContact CG1-CG2 4.35Å; R97-V100 HydrophobicContact CB-CB 4.01Å; R97-V100 HydrophobicContact CB-CG2 4.02Å; R97-V100 PolarHBondContact O-N 2.66Å; K98-V100 VanDerWaalsContact C-N 3.32Å; K98-V100 PolarHBondContact O-N 3.02Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.35Å; V100-K103 WeakPolarHBondContact O-CB 3.39Å; V100-K103 PolarHBondContact O-N 3.27Å; V100-K103 VanDerWaalsContact O-N 3.09Å; V100-F104 HydrophobicContact CG1-CD2 4.09Å; V100-F104 HydrophobicContact CG1-CE2 4.05Å; V100-F104 PolarHBondContact O-N 3.4Å; V100-F104 VanDerWaalsContact O-N 3.13Å
101F98.1Very high96.1Very high19 Ų1955 Ų558%0.08327%0.27CS..Hα-helixtrans-57.1-44174.5167.5-106.6000112.5R97 K98 K103 F104 V105 V127 R131 L135 H136R97-F101 PolarHBondContact O-N 3.13Å; K98-F101 PolarHBondContact O-N 2.94Å; F101-K103 PolarHBondContact O-N 2.92Å; F101-F104 PolarHBondContact O-N 3.2Å; F101-F104 VanDerWaalsContact O-N 3.1Å; F101-V105 HydrophobicContact CD1-CG2 4.33Å; F101-V105 HydrophobicContact CD2-CG2 4.17Å; F101-V105 HydrophobicContact CE1-CG2 3.86Å; F101-V105 HydrophobicContact CE2-CG2 3.69Å; F101-V105 HydrophobicContact CG-CG2 4.48Å; F101-V105 HydrophobicContact CZ-CG2 3.52Å; F101-V105 WeakPolarHBondContact O-CG2 3.39Å; F101-V105 PolarHBondContact O-N 2.88Å; F101-V127 HydrophobicContact CE2-CG1 4.22Å; F101-R131 HydrophobicContact CE2-CG 4.34Å; F101-R131 HydrophobicContact CZ-CG 4.1Å; F101-L135 HydrophobicContact CB-CB 4.29Å; F101-L135 HydrophobicContact CB-CD1 3.53Å; F101-L135 HydrophobicContact CD1-CB 3.56Å; F101-L135 HydrophobicContact CD1-CD1 4.37Å; F101-L135 HydrophobicContact CD2-CB 4.36Å; F101-L135 HydrophobicContact CD2-CD1 4.24Å; F101-L135 HydrophobicContact CE1-CB 3.9Å; F101-L135 HydrophobicContact CG-CB 3.81Å; F101-L135 HydrophobicContact CG-CD1 3.8Å; F101-L135 HydrophobicContact CG-CG 4.49Å; F101-L135 HydrophobicContact CZ-CB 4.42Å; F101-H136 HydrophobicContact CE1-CB 4.19Å; F101-H136 HydrophobicContact CZ-CB 4.16Å
102E98.1Very high95.8Very high97 Ų9756.8 Ų56.845%0.45328%0.281SS..Hα-helixtrans-62.1-31.3176.8-75174.9175.900112.5K98 V100 S106K98-E102 VanDerWaalsContact CE-OE1 3.23Å; K98-E102 WeakPolarHBondContact CE-OE1 2.98Å; K98-E102 HydrophobicContact CG-CG 4.37Å; K98-E102 WeakPolarHBondContact O-CG 3.31Å; K98-E102 PolarHBondContact O-N 3.45Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.35Å; E102-S106 WeakPolarHBondContact O-CB 3.49Å; E102-S106 PolarHBondContact O-N 3.38Å; E102-S106 PolarHBondContact O-OG 2.91Å
103K98.1Very high95.6Very high47 Ų4758.8 Ų58.820%0.20430%0.299CS..Hα-helixtrans-65.5-48.4170.6-57.4-52.2173.2172.20111.5G37 S39 P41 V46 D99 V100 F101 V105 S106 V107G37-K103 WeakPolarHBondContact O-CE 3.4Å; G37-K103 PolarHBondContact O-NZ 3.38Å; S39-K103 VanDerWaalsContact O-CE 3.27Å; S39-K103 WeakPolarHBondContact O-CE 3.2Å; S39-K103 PolarHBondContact O-NZ 3.32Å; P41-K103 HydrophobicContact CB-CD 4.41Å; V46-K103 HydrophobicContact CG1-CB 3.84Å; V46-K103 HydrophobicContact CG2-CB 3.88Å; V46-K103 HydrophobicContact CG2-CG 4.34Å; D99-K103 WeakPolarHBondContact O-CG 3.23Å; D99-K103 PolarHBondContact O-N 3.49Å; V100-K103 WeakPolarHBondContact O-CB 3.39Å; V100-K103 PolarHBondContact O-N 3.27Å; V100-K103 VanDerWaalsContact O-N 3.09Å; F101-K103 PolarHBondContact O-N 2.92Å; K103-V105 VanDerWaalsContact C-N 3.33Å; K103-V105 PolarHBondContact O-N 3.27Å; K103-S106 WeakPolarHBondContact O-CB 3.27Å; K103-S106 PolarHBondContact O-N 3.39Å; K103-S106 VanDerWaalsContact O-N 3.11Å; K103-V107 WeakPolarHBondContact O-CG2 3.45Å; K103-V107 PolarHBondContact O-N 3.42Å
104F98.2Very high94.8Very high8 Ų858.1 Ų58.14%0.03530%0.302CS..Hα-helixtrans-60.5-41.5177.1-86.9-79.8000112.3V46 V47 I50 V100 F101 S106 V107 Q108 Y122 V123 K126 V127V46-F104 HydrophobicContact CG1-CD2 4.11Å; V46-F104 HydrophobicContact CG1-CE2 4.01Å; V46-F104 HydrophobicContact CG1-CG 4.41Å; V46-F104 HydrophobicContact CG1-CZ 4.22Å; V47-F104 HydrophobicContact CG2-CE1 4.14Å; I50-F104 HydrophobicContact CB-CZ 4.24Å; I50-F104 HydrophobicContact CG1-CE2 4.23Å; I50-F104 HydrophobicContact CG1-CZ 4.32Å; I50-F104 HydrophobicContact CG2-CZ 4.31Å; V100-F104 HydrophobicContact CG1-CD2 4.09Å; V100-F104 HydrophobicContact CG1-CE2 4.05Å; V100-F104 PolarHBondContact O-N 3.4Å; V100-F104 VanDerWaalsContact O-N 3.13Å; F101-F104 PolarHBondContact O-N 3.2Å; F101-F104 VanDerWaalsContact O-N 3.1Å; F104-S106 VanDerWaalsContact C-N 3.29Å; F104-S106 PolarHBondContact O-N 3.31Å; F104-V107 PolarHBondContact O-N 3.41Å; F104-Q108 WeakPolarHBondContact O-CB 3.38Å; F104-Q108 PolarHBondContact O-N 2.9Å; F104-Y122 HydrophobicContact CE1-CD1 4.35Å; F104-Y122 AromaticContact CE1-CE1 3.89Å; F104-Y122 HydrophobicContact CE1-CE1 3.89Å; F104-Y122 HydrophobicContact CZ-CE1 4.07Å; F104-V123 HydrophobicContact CD1-CG1 4.44Å; F104-V123 HydrophobicContact CD1-CG2 4.31Å; F104-V123 HydrophobicContact CE1-CG2 4.4Å; F104-K126 HydrophobicContact CD1-CB 3.71Å; F104-K126 HydrophobicContact CD1-CG 4.21Å; F104-K126 HydrophobicContact CD2-CB 4.47Å; F104-K126 HydrophobicContact CE1-CB 3.87Å; F104-K126 HydrophobicContact CE1-CG 3.82Å; F104-K126 HydrophobicContact CG-CB 4.04Å; F104-K126 HydrophobicContact CZ-CB 4.32Å; F104-K126 HydrophobicContact CZ-CG 4.01Å; F104-V127 HydrophobicContact CB-CG2 4Å
105V98.4Very high94.6Very high25 Ų2558.4 Ų58.415%0.15230%0.303CS..Hα-helixtrans-61.1-40.21741720000111.3F101 K103 K109 V127F101-V105 HydrophobicContact CD1-CG2 4.33Å; F101-V105 HydrophobicContact CD2-CG2 4.17Å; F101-V105 HydrophobicContact CE1-CG2 3.86Å; F101-V105 HydrophobicContact CE2-CG2 3.69Å; F101-V105 HydrophobicContact CG-CG2 4.48Å; F101-V105 HydrophobicContact CZ-CG2 3.52Å; F101-V105 WeakPolarHBondContact O-CG2 3.39Å; F101-V105 PolarHBondContact O-N 2.88Å; K103-V105 VanDerWaalsContact C-N 3.33Å; K103-V105 PolarHBondContact O-N 3.27Å; V105-K109 WeakPolarHBondContact O-CG 3.48Å; V105-K109 PolarHBondContact O-N 3.43Å; V105-V127 HydrophobicContact CG2-CG1 4.02Å; V105-V127 HydrophobicContact CG2-CG2 4.15Å
106S97.8Very high94.6Very high43 Ų4354.9 Ų54.930%0.30129%0.291SS..Hα-helixtrans-69.2-39.9177.7-61.30000112E102 K103 F104 K109 N110E102-S106 WeakPolarHBondContact O-CB 3.49Å; E102-S106 PolarHBondContact O-N 3.38Å; E102-S106 PolarHBondContact O-OG 2.91Å; K103-S106 WeakPolarHBondContact O-CB 3.27Å; K103-S106 PolarHBondContact O-N 3.39Å; K103-S106 VanDerWaalsContact O-N 3.11Å; F104-S106 VanDerWaalsContact C-N 3.29Å; F104-S106 PolarHBondContact O-N 3.31Å; S106-K109 PolarHBondContact O-N 3.32Å; S106-N110 PolarHBondContact O-ND2 3.45Å
107V97.3Very high94.6Very high3 Ų355.5 Ų55.52%0.01831%0.309CS..Hα-helixtrans-63-45.8173.8171.30000110.5P41 V46 V47 K103 F104 K109 N110 I111 F115 V123P41-V107 HydrophobicContact CB-CG2 3.96Å; V46-V107 HydrophobicContact CB-CG2 4.24Å; V46-V107 HydrophobicContact CG1-CG2 4.41Å; V46-V107 HydrophobicContact CG2-CG2 4.43Å; V47-V107 HydrophobicContact CG2-CG1 3.79Å; V47-V107 HydrophobicContact CG2-CG2 4.48Å; K103-V107 WeakPolarHBondContact O-CG2 3.45Å; K103-V107 PolarHBondContact O-N 3.42Å; F104-V107 PolarHBondContact O-N 3.41Å; V107-K109 PolarHBondContact O-N 2.97Å; V107-N110 CarbonylContact O-C 3.52Å; V107-N110 VanDerWaalsContact O-C 3.31Å; V107-N110 WeakPolarHBondContact O-CA 3.37Å; V107-N110 PolarHBondContact O-N 3Å; V107-I111 PolarHBondContact O-N 2.79Å; V107-I111 VanDerWaalsContact O-N 3.14Å; V107-F115 HydrophobicContact CG1-CE1 3.99Å; V107-F115 HydrophobicContact CG1-CE2 4.5Å; V107-F115 HydrophobicContact CG1-CZ 3.51Å; V107-V123 HydrophobicContact CG1-CG1 4.34Å; V107-V123 HydrophobicContact CG1-CG2 4.14Å
108Q97.5Very high94.7Very high55 Ų5554.6 Ų54.626%0.25731%0.307SS..Hα-helixtrans-55.2-38.9179.9-171.8-177.149.800112.5F104 N110 V123 D124 V127F104-Q108 WeakPolarHBondContact O-CB 3.38Å; F104-Q108 PolarHBondContact O-N 2.9Å; Q108-N110 PolarHBondContact O-N 3.49Å; Q108-V123 HydrophobicContact CB-CG1 3.72Å; Q108-V123 HydrophobicContact CG-CG1 4.22Å; Q108-D124 PolarHBondContact NE2-OD1 2.87Å; Q108-V127 HydrophobicContact CB-CG2 4.15Å
109K96.6Very high94.7Very high162 Ų16251.8 Ų51.870%0.70430%0.295SS*.Hα-helixtrans-69.8-20.1177.4-69.4174.5-176178.20113.9V105 S106 V107V105-K109 WeakPolarHBondContact O-CG 3.48Å; V105-K109 PolarHBondContact O-N 3.43Å; S106-K109 PolarHBondContact O-N 3.32Å; V107-K109 PolarHBondContact O-N 2.97Å
110N94.3Very high94.7Very high114 Ų11454 Ų5461%0.6130%0.299SS*.THydrogen-bonded Turntrans-123.429-172.8-59.8-67.5000112S106 V107 Q108 D112S106-N110 PolarHBondContact O-ND2 3.45Å; V107-N110 CarbonylContact O-C 3.52Å; V107-N110 VanDerWaalsContact O-C 3.31Å; V107-N110 WeakPolarHBondContact O-CA 3.37Å; V107-N110 PolarHBondContact O-N 3Å; Q108-N110 PolarHBondContact O-N 3.49Å; N110-D112 PolarHBondContact O-N 3.14Å
111I93.1Very high94.6Very high46 Ų4655.9 Ų55.924%0.23631%0.305CS..  trans-62.5128.7174.1-69.4175000109.3V107 F115 R120 V123V107-I111 PolarHBondContact O-N 2.79Å; V107-I111 VanDerWaalsContact O-N 3.14Å; I111-F115 HydrophobicContact CG2-CB 4.1Å; I111-F115 HydrophobicContact CG2-CD2 4.11Å; I111-F115 HydrophobicContact CG2-CG 4.06Å; I111-R120 HydrophobicContact CD1-CG 4.47Å; I111-R120 HydrophobicContact CG2-CG 3.84Å; I111-V123 HydrophobicContact CD1-CG1 4.31Å
112D88.8Confident94.6Very high86 Ų8655 Ų5546%0.4630%0.301SS..  trans-123.2-164.2178.268.122.5000112.1N110 S114 F115 R120N110-D112 PolarHBondContact O-N 3.14Å; D112-S114 PolarHBondContact O-N 3.21Å; D112-S114 WeakPolarHBondContact OD1-CB 3.31Å; D112-S114 PolarHBondContact OD1-N 3.26Å; D112-S114 PolarHBondContact OD1-OG 3.34Å; D112-F115 PolarHBondContact O-N 3.16Å; D112-R120 PolarHBondContact O-NH2 2.9Å
113S86.1Confident94.6Very high121 Ų12150.3 Ų50.385%0.84628%0.28SS*.THydrogen-bonded Turntrans-69.1-11.5-179.253.50000114.9F115S113-F115 VanDerWaalsContact C-N 3.26Å; S113-F115 PolarHBondContact O-N 3.23Å
114S79.6Confident94.6Very high59 Ų5951.5 Ų51.541%0.41329%0.288SS..THydrogen-bonded Turntrans-70.3-22.6176.865.40000112.9D112D112-S114 PolarHBondContact O-N 3.21Å; D112-S114 WeakPolarHBondContact OD1-CB 3.31Å; D112-S114 PolarHBondContact OD1-N 3.26Å; D112-S114 PolarHBondContact OD1-OG 3.34Å
115F91.5Very high94.6Very high14 Ų1453 Ų536%0.06129%0.294CS..  trans-84.1123.1-178.2-72-106000112.1F43 V47 V107 I111 D112 S113 R120 V123F43-F115 HydrophobicContact CB-CE1 4.44Å; F43-F115 HydrophobicContact CB-CE2 3.86Å; F43-F115 HydrophobicContact CB-CZ 3.69Å; F43-F115 HydrophobicContact CD2-CD1 4.04Å; F43-F115 AromaticContact CD2-CE1 3.62Å; F43-F115 HydrophobicContact CD2-CE1 3.62Å; F43-F115 HydrophobicContact CD2-CE2 4.29Å; F43-F115 AromaticContact CD2-CZ 3.75Å; F43-F115 HydrophobicContact CD2-CZ 3.75Å; F43-F115 HydrophobicContact CE2-CE1 4.43Å; F43-F115 HydrophobicContact CG-CE1 4.47Å; F43-F115 HydrophobicContact CG-CE2 4.43Å; F43-F115 HydrophobicContact CG-CZ 4.17Å; V47-F115 HydrophobicContact CG1-CE1 4.42Å; V47-F115 HydrophobicContact CG2-CE1 4.05Å; V47-F115 HydrophobicContact CG2-CZ 4.31Å; V107-F115 HydrophobicContact CG1-CE1 3.99Å; V107-F115 HydrophobicContact CG1-CE2 4.5Å; V107-F115 HydrophobicContact CG1-CZ 3.51Å; I111-F115 HydrophobicContact CG2-CB 4.1Å; I111-F115 HydrophobicContact CG2-CD2 4.11Å; I111-F115 HydrophobicContact CG2-CG 4.06Å; D112-F115 PolarHBondContact O-N 3.16Å; S113-F115 VanDerWaalsContact C-N 3.26Å; S113-F115 PolarHBondContact O-N 3.23Å; F115-R120 HydrophobicContact CB-CG 3.65Å; F115-R120 HydrophobicContact CG-CG 4.45Å; F115-R120 PolarHBondContact O-NE 3.39Å; F115-V123 HydrophobicContact CD1-CG2 4.46Å; F115-V123 HydrophobicContact CE1-CG2 3.81Å
116S92.7Very high94.6Very high37 Ų3753.5 Ų53.526%0.25929%0.294SS..  trans-62.1164.3163.274.30000111.3E118 Y119 R120 E487S116-E118 PolarHBondContact O-N 3.08Å; S116-E118 PolarHBondContact OG-N 2.93Å; S116-Y119 PolarHBondContact O-N 2.86Å; S116-Y119 VanDerWaalsContact OG-CD2 3.27Å; S116-Y119 WeakPolarHBondContact OG-CD2 3.38Å; S116-Y119 PolarHBondContact OG-N 2.86Å; S116-R120 WeakPolarHBondContact O-CG 3.32Å; S116-R120 PolarHBondContact O-N 2.65Å; S116-E487 VanDerWaalsContact CB-OE2 3.22Å; S116-E487 WeakPolarHBondContact CB-OE2 3.1Å; S116-E487 PolarHBondContact OG-OE2 3.4Å
117G94.5Very high94.6Very high62 Ų6251.6 Ų51.664%0.63928%0.281SS*.Hα-helixtrans-56.5-39.3174.300000113R120 R121G117-R120 PolarHBondContact O-N 3.46Å; G117-R121 PolarHBondContact O-N 2.88Å
118E96.6Very high94.6Very high23 Ų2354.7 Ų54.711%0.10730%0.295CS..Hα-helixtrans-70-42.6179.2-169.4-178.9142.800112S116 R120 R121 Y122 T486 E487 T488 F491S116-E118 PolarHBondContact O-N 3.08Å; S116-E118 PolarHBondContact OG-N 2.93Å; E118-R120 VanDerWaalsContact C-N 3.3Å; E118-R120 PolarHBondContact O-N 3.48Å; E118-R121 WeakPolarHBondContact O-CB 3.4Å; E118-R121 PolarHBondContact O-N 2.82Å; E118-Y122 WeakPolarHBondContact O-CB 3.27Å; E118-Y122 PolarHBondContact O-N 3.39Å; E118-T486 WeakPolarHBondContact OE1-CB 3.32Å; E118-E487 PolarHBondContact OE1-N 2.9Å; E118-E487 PolarHBondContact OE2-N 2.76Å; E118-T488 WeakPolarHBondContact OE1-CB 3.15Å; E118-T488 PolarHBondContact OE1-N 3.21Å; E118-T488 PolarHBondContact OE1-OG1 3.39Å; E118-F491 HydrophobicContact CG-CD2 3.77Å; E118-F491 HydrophobicContact CG-CE2 4.25Å
119Y96.1Very high94.5Very high6 Ų654.5 Ų54.52%0.02430%0.295CS..Hα-helixtrans-66.8-30.5177.4-79.6-60.3000113.1F43 V47 S116 Y122 V123 E487 T488F43-Y119 AromaticContact CE2-CD1 3.88Å; F43-Y119 HydrophobicContact CE2-CD1 3.88Å; F43-Y119 AromaticContact CE2-CD2 3.77Å; F43-Y119 HydrophobicContact CE2-CD2 3.77Å; F43-Y119 HydrophobicContact CE2-CE1 4.21Å; F43-Y119 HydrophobicContact CE2-CE2 4.1Å; F43-Y119 AromaticContact CE2-CG 3.66Å; F43-Y119 HydrophobicContact CE2-CG 3.66Å; F43-Y119 HydrophobicContact CZ-CD1 4.48Å; F43-Y119 AromaticContact CZ-CD2 3.88Å; F43-Y119 HydrophobicContact CZ-CD2 3.88Å; F43-Y119 HydrophobicContact CZ-CE1 4.43Å; F43-Y119 AromaticContact CZ-CE2 3.82Å; F43-Y119 HydrophobicContact CZ-CE2 3.82Å; F43-Y119 HydrophobicContact CZ-CG 4.23Å; V47-Y119 HydrophobicContact CG1-CD1 3.83Å; V47-Y119 HydrophobicContact CG1-CE1 4.39Å; S116-Y119 PolarHBondContact O-N 2.86Å; S116-Y119 VanDerWaalsContact OG-CD2 3.27Å; S116-Y119 WeakPolarHBondContact OG-CD2 3.38Å; S116-Y119 PolarHBondContact OG-N 2.86Å; Y119-Y122 PolarHBondContact O-N 2.93Å; Y119-V123 WeakPolarHBondContact O-CG2 3.41Å; Y119-V123 PolarHBondContact O-N 3.35Å; Y119-E487 WeakPolarHBondContact CD2-OE2 3.1Å; Y119-E487 HydrophobicContact CE2-CB 4.31Å; Y119-T488 HydrophobicContact CD1-CG2 3.96Å; Y119-T488 HydrophobicContact CE1-CG2 3.62Å
120R97.2Very high94.5Very high102 Ų10247 Ų4739%0.38526%0.264SS..Hα-helixtrans-61.7-51.2170.1-66.5179.3-172-137.2-4.3110.6I111 D112 F115 S116 G117 E118 Y122 V123 D124I111-R120 HydrophobicContact CD1-CG 4.47Å; I111-R120 HydrophobicContact CG2-CG 3.84Å; D112-R120 PolarHBondContact O-NH2 2.9Å; F115-R120 HydrophobicContact CB-CG 3.65Å; F115-R120 HydrophobicContact CG-CG 4.45Å; F115-R120 PolarHBondContact O-NE 3.39Å; S116-R120 WeakPolarHBondContact O-CG 3.32Å; S116-R120 PolarHBondContact O-N 2.65Å; G117-R120 PolarHBondContact O-N 3.46Å; E118-R120 VanDerWaalsContact C-N 3.3Å; E118-R120 PolarHBondContact O-N 3.48Å; R120-Y122 VanDerWaalsContact C-N 3.27Å; R120-Y122 PolarHBondContact O-N 2.94Å; R120-V123 PolarHBondContact O-N 2.96Å; R120-D124 PolarHBondContact O-N 3.47Å
121R97Very high94.7Very high44 Ų4447.9 Ų47.917%0.16626%0.259CS..Hα-helixtrans-58.3-39.4176.1-174.7-175.817574.8-8.3112.1G117 E118 D124 R125 F491 G652 S653 D655G117-R121 PolarHBondContact O-N 2.88Å; E118-R121 WeakPolarHBondContact O-CB 3.4Å; E118-R121 PolarHBondContact O-N 2.82Å; R121-D124 PolarHBondContact O-N 2.62Å; R121-R125 WeakPolarHBondContact O-CB 3.36Å; R121-R125 PolarHBondContact O-N 3.38Å; R121-F491 HydrophobicContact CB-CE2 4.24Å; R121-F491 HydrophobicContact CB-CZ 4.32Å; R121-F491 HydrophobicContact CG-CE1 4.41Å; R121-F491 HydrophobicContact CG-CE2 4.03Å; R121-F491 HydrophobicContact CG-CZ 3.67Å; R121-G652 PolarHBondContact NE-O 3.49Å; R121-G652 PolarHBondContact NH2-O 3.49Å; R121-S653 WeakPolarHBondContact CD-O 3.43Å; R121-D655 IonicContact CZ-OD1 3.52Å; R121-D655 IonicContact NH1-OD1 2.67Å; R121-D655 PolarHBondContact NH1-OD1 3.37Å; R121-D655 IonicContact NH2-OD1 3.52Å; R121-D655 PolarHBondContact NH2-OD1 3.21Å
122Y97.7Very high94.8Very high0 Ų047 Ų470%025%0.253CS..Hα-helixtrans-61.1-49.6177.3178.2-100.5000111.5V47 I50 E54 F104 E118 Y119 R120 D124 R125 K126 T488 F490 F491V47-Y122 HydrophobicContact CG1-CD1 3.84Å; V47-Y122 HydrophobicContact CG1-CE1 4.07Å; I50-Y122 WeakPolarHBondContact CG2-OH 3.3Å; E54-Y122 PolarHBondContact OE1-OH 3.29Å; E54-Y122 VanDerWaalsContact OE2-CE2 3.26Å; E54-Y122 WeakPolarHBondContact OE2-CE2 3.49Å; E54-Y122 PolarHBondContact OE2-OH 3.16Å; F104-Y122 HydrophobicContact CE1-CD1 4.35Å; F104-Y122 AromaticContact CE1-CE1 3.89Å; F104-Y122 HydrophobicContact CE1-CE1 3.89Å; F104-Y122 HydrophobicContact CZ-CE1 4.07Å; E118-Y122 WeakPolarHBondContact O-CB 3.27Å; E118-Y122 PolarHBondContact O-N 3.39Å; Y119-Y122 PolarHBondContact O-N 2.93Å; R120-Y122 VanDerWaalsContact C-N 3.27Å; R120-Y122 PolarHBondContact O-N 2.94Å; Y122-D124 PolarHBondContact O-N 2.79Å; Y122-R125 PolarHBondContact O-N 2.79Å; Y122-K126 HydrophobicContact CD1-CG 4.37Å; Y122-K126 HydrophobicContact CE1-CG 4.03Å; Y122-K126 HydrophobicContact CE2-CG 4.27Å; Y122-K126 WeakPolarHBondContact O-CB 3.33Å; Y122-K126 WeakPolarHBondContact O-CG 3.35Å; Y122-K126 PolarHBondContact O-N 2.99Å; Y122-K126 VanDerWaalsContact OH-CE 3.25Å; Y122-K126 WeakPolarHBondContact OH-CE 3.4Å; Y122-T488 HydrophobicContact CD2-CG2 4.03Å; Y122-T488 HydrophobicContact CG-CG2 4.18Å; Y122-F490 HydrophobicContact CD2-CB 3.8Å; Y122-F490 HydrophobicContact CD2-CD1 4.22Å; Y122-F490 AromaticContact CD2-CG 3.97Å; Y122-F490 HydrophobicContact CD2-CG 3.97Å; Y122-F490 HydrophobicContact CE2-CB 3.56Å; Y122-F490 HydrophobicContact CE2-CD1 4.49Å; Y122-F490 HydrophobicContact CE2-CD2 4.17Å; Y122-F490 AromaticContact CE2-CG 3.8Å; Y122-F490 HydrophobicContact CE2-CG 3.8Å; Y122-F491 HydrophobicContact CD2-CE2 4.37Å
123V98.3Very high95Very high0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-59.8-46.5175.6170.10000111V47 F104 V107 Q108 I111 F115 Y119 R120 R125 K126 V127V47-V123 HydrophobicContact CG1-CG2 4.1Å; V47-V123 HydrophobicContact CG2-CG2 3.61Å; F104-V123 HydrophobicContact CD1-CG1 4.44Å; F104-V123 HydrophobicContact CD1-CG2 4.31Å; F104-V123 HydrophobicContact CE1-CG2 4.4Å; V107-V123 HydrophobicContact CG1-CG1 4.34Å; V107-V123 HydrophobicContact CG1-CG2 4.14Å; Q108-V123 HydrophobicContact CB-CG1 3.72Å; Q108-V123 HydrophobicContact CG-CG1 4.22Å; I111-V123 HydrophobicContact CD1-CG1 4.31Å; F115-V123 HydrophobicContact CD1-CG2 4.46Å; F115-V123 HydrophobicContact CE1-CG2 3.81Å; Y119-V123 WeakPolarHBondContact O-CG2 3.41Å; Y119-V123 PolarHBondContact O-N 3.35Å; R120-V123 PolarHBondContact O-N 2.96Å; V123-R125 VanDerWaalsContact C-N 3.31Å; V123-R125 PolarHBondContact O-N 2.91Å; V123-K126 PolarHBondContact O-N 3.23Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 2.75Å
124D97.4Very high95.5Very high71 Ų7138.8 Ų38.838%0.3820%0.199SC..Hα-helixtrans-59.2-44178.7-71.4-26.1000111.6Q108 R120 R121 Y122 V127 Q128Q108-D124 PolarHBondContact NE2-OD1 2.87Å; R120-D124 PolarHBondContact O-N 3.47Å; R121-D124 PolarHBondContact O-N 2.62Å; Y122-D124 PolarHBondContact O-N 2.79Å; D124-V127 PolarHBondContact O-N 2.7Å; D124-Q128 WeakPolarHBondContact O-CB 3.39Å; D124-Q128 PolarHBondContact O-N 3.47Å
125R97.6Very high96.3Very high39 Ų3936.1 Ų36.115%0.14718%0.181CC..Hα-helixtrans-68.8-37.6178.9-170.356.863.697.33.1112.2R121 Y122 V123 Q128 L129 F490 F491R121-R125 WeakPolarHBondContact O-CB 3.36Å; R121-R125 PolarHBondContact O-N 3.38Å; Y122-R125 PolarHBondContact O-N 2.79Å; V123-R125 VanDerWaalsContact C-N 3.31Å; V123-R125 PolarHBondContact O-N 2.91Å; R125-Q128 PolarHBondContact O-N 2.96Å; R125-L129 HydrophobicContact CG-CD1 4.4Å; R125-L129 HydrophobicContact CG-CG 4.47Å; R125-L129 WeakPolarHBondContact O-CB 3.45Å; R125-L129 WeakPolarHBondContact O-CG 3.45Å; R125-L129 PolarHBondContact O-N 2.91Å; R125-F490 HydrophobicContact CB-CE1 4.2Å; R125-F490 HydrophobicContact CG-CE1 3.48Å; R125-F490 VanDerWaalsContact CG-CE1 3.48Å; R125-F490 HydrophobicContact CG-CZ 3.63Å; R125-F491 HydrophobicContact CB-CZ 4.2Å
126K97.8Very high96.6Very high37 Ų3739.9 Ų39.916%0.16120%0.198CC..Hα-helixtrans-62.4-43.8173.9-74.9-66.2-176.5-176.40112.2E54 F104 Y122 V123 G130E54-K126 WeakPolarHBondContact OE1-CE 3.42Å; E54-K126 IonicContact OE1-NZ 2.72Å; E54-K126 PolarHBondContact OE1-NZ 3.26Å; F104-K126 HydrophobicContact CD1-CB 3.71Å; F104-K126 HydrophobicContact CD1-CG 4.21Å; F104-K126 HydrophobicContact CD2-CB 4.47Å; F104-K126 HydrophobicContact CE1-CB 3.87Å; F104-K126 HydrophobicContact CE1-CG 3.82Å; F104-K126 HydrophobicContact CG-CB 4.04Å; F104-K126 HydrophobicContact CZ-CB 4.32Å; F104-K126 HydrophobicContact CZ-CG 4.01Å; Y122-K126 HydrophobicContact CD1-CG 4.37Å; Y122-K126 HydrophobicContact CE1-CG 4.03Å; Y122-K126 HydrophobicContact CE2-CG 4.27Å; Y122-K126 WeakPolarHBondContact O-CB 3.33Å; Y122-K126 WeakPolarHBondContact O-CG 3.35Å; Y122-K126 PolarHBondContact O-N 2.99Å; Y122-K126 VanDerWaalsContact OH-CE 3.25Å; Y122-K126 WeakPolarHBondContact OH-CE 3.4Å; V123-K126 PolarHBondContact O-N 3.23Å; K126-G130 PolarHBondContact O-N 3.47Å
127V98.3Very high96.8Very high3 Ų339.4 Ų39.42%0.01819%0.192CC..Hα-helixtrans-64.5-42.6174174.50000110.9F101 F104 V105 Q108 V123 D124 G130 R131F101-V127 HydrophobicContact CE2-CG1 4.22Å; F104-V127 HydrophobicContact CB-CG2 4Å; V105-V127 HydrophobicContact CG2-CG1 4.02Å; V105-V127 HydrophobicContact CG2-CG2 4.15Å; Q108-V127 HydrophobicContact CB-CG2 4.15Å; V123-V127 WeakPolarHBondContact O-CG2 3.36Å; V123-V127 PolarHBondContact O-N 2.75Å; D124-V127 PolarHBondContact O-N 2.7Å; V127-G130 PolarHBondContact O-N 3.11Å; V127-R131 WeakPolarHBondContact O-CG 3.39Å; V127-R131 PolarHBondContact O-N 3.29Å
128Q97Very high96.8Very high67 Ų6740 Ų4031%0.31318%0.181SC..Hα-helixtrans-62.1-45.8179-169.5172.422.100112D124 R125 R131 R132 L263D124-Q128 WeakPolarHBondContact O-CB 3.39Å; D124-Q128 PolarHBondContact O-N 3.47Å; R125-Q128 PolarHBondContact O-N 2.96Å; Q128-R131 WeakPolarHBondContact O-CB 3.42Å; Q128-R131 PolarHBondContact O-N 3.2Å; Q128-R132 VanDerWaalsContact O-CG 3.3Å; Q128-R132 WeakPolarHBondContact O-CG 3.43Å; Q128-R132 PolarHBondContact O-N 2.94Å; Q128-L263 HydrophobicContact CG-CD2 4.14Å
129L96.5Very high96.6Very high51 Ų5143 Ų4327%0.26720%0.198SC..Hα-helixtrans-62.6-43.8175.5-72.1177.2000112.1R125 R131 R132 N133 L263 F490R125-L129 HydrophobicContact CG-CD1 4.4Å; R125-L129 HydrophobicContact CG-CG 4.47Å; R125-L129 WeakPolarHBondContact O-CB 3.45Å; R125-L129 WeakPolarHBondContact O-CG 3.45Å; R125-L129 PolarHBondContact O-N 2.91Å; L129-R131 PolarHBondContact O-N 3.3Å; L129-R132 CarbonylContact O-C 3.56Å; L129-R132 WeakPolarHBondContact O-CB 3.5Å; L129-R132 PolarHBondContact O-N 3.25Å; L129-R132 VanDerWaalsContact O-N 3.07Å; L129-N133 PolarHBondContact O-N 3.39Å; L129-L263 HydrophobicContact CD2-CD1 4.08Å; L129-F490 HydrophobicContact CD1-CE2 3.84Å; L129-F490 HydrophobicContact CD1-CZ 3.61Å
130G97.2Very high96.6Very high6 Ų648.4 Ų48.46%0.06223%0.227CC..Hα-helixtrans-60.3-35.4174.700000112.8K126 V127 N133 G134 L135K126-G130 PolarHBondContact O-N 3.47Å; V127-G130 PolarHBondContact O-N 3.11Å; G130-N133 PolarHBondContact O-N 3.49Å; G130-G134 PolarHBondContact O-N 3.34Å; G130-L135 VanDerWaalsContact O-CB 3.3Å; G130-L135 WeakPolarHBondContact O-CB 3.34Å; G130-L135 WeakPolarHBondContact O-CG 3.44Å; G130-L135 PolarHBondContact O-N 3.32Å
131R96.8Very high96.6Very high132 Ų13248 Ų4850%0.49823%0.228SC..Hα-helixtrans-67.6-41.6172.3-71.9-177.7-177.8-165.53112.5F101 V127 Q128 L129 N133 G134 H136F101-R131 HydrophobicContact CE2-CG 4.34Å; F101-R131 HydrophobicContact CZ-CG 4.1Å; V127-R131 WeakPolarHBondContact O-CG 3.39Å; V127-R131 PolarHBondContact O-N 3.29Å; Q128-R131 WeakPolarHBondContact O-CB 3.42Å; Q128-R131 PolarHBondContact O-N 3.2Å; L129-R131 PolarHBondContact O-N 3.3Å; R131-N133 PolarHBondContact O-N 3.2Å; R131-G134 WeakPolarHBondContact O-CA 3.08Å; R131-G134 PolarHBondContact O-N 3.35Å; R131-H136 WeakPolarHBondContact CA-ND1 3.24Å; R131-H136 HydrophobicContact CG-CB 4.3Å; R131-H136 PolarHBondContact O-CE1 2.91Å; R131-H136 PolarHBondContact O-ND1 2.97Å
132R95.4Very high96.4Very high27 Ų2748.1 Ų48.110%0.10223%0.229CC..Hα-helixtrans-63.5-27.6175.3-69.1171.662.971.53.9112.7Q128 L129 G134 L251 F259 D262Q128-R132 VanDerWaalsContact O-CG 3.3Å; Q128-R132 WeakPolarHBondContact O-CG 3.43Å; Q128-R132 PolarHBondContact O-N 2.94Å; L129-R132 CarbonylContact O-C 3.56Å; L129-R132 WeakPolarHBondContact O-CB 3.5Å; L129-R132 PolarHBondContact O-N 3.25Å; L129-R132 VanDerWaalsContact O-N 3.07Å; R132-G134 VanDerWaalsContact C-N 3.26Å; R132-G134 PolarHBondContact O-N 3.29Å; R132-L251 VanDerWaalsContact O-CD1 3.22Å; R132-L251 WeakPolarHBondContact O-CD1 3.4Å; R132-L251 WeakPolarHBondContact O-CD2 3.33Å; R132-F259 HydrophobicContact CB-CE2 3.97Å; R132-F259 HydrophobicContact CB-CZ 4.46Å; R132-F259 HydrophobicContact CG-CE2 4.13Å; R132-F259 VanDerWaalsContact CZ-CE2 3.41Å; R132-F259 VanDerWaalsContact CZ-O 3.25Å; R132-F259 PolarHBondContact NH1-O 3.35Å; R132-F259 PolarHBondContact NH2-O 2.97Å; R132-D262 IonicContact CZ-OD1 2.82Å; R132-D262 IonicContact NH1-OD1 2.75Å; R132-D262 PolarHBondContact NH1-OD1 3.4Å; R132-D262 IonicContact NH1-OD2 3.24Å; R132-D262 PolarHBondContact NH1-OD2 3.34Å
133N94.6Very high96.2Very high35 Ų3554.4 Ų54.419%0.18726%0.256CS..THydrogen-bonded Turntrans-83.42.7170.8-71.8-5.6000113.4M96 L129 G130 R131 L135M96-N133 HydrophobicContact SD-CB 3.83Å; L129-N133 PolarHBondContact O-N 3.39Å; G130-N133 PolarHBondContact O-N 3.49Å; R131-N133 PolarHBondContact O-N 3.2Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 HydrophobicContact CB-CG 4.3Å; N133-L135 PolarHBondContact O-N 2.96Å
134G96.2Very high96Very high0 Ų057.8 Ų57.80%027%0.274CS..THydrogen-bonded Turntrans75.51217800000114.8G130 R131 R132 H136 L137 R142G130-G134 PolarHBondContact O-N 3.34Å; R131-G134 WeakPolarHBondContact O-CA 3.08Å; R131-G134 PolarHBondContact O-N 3.35Å; R132-G134 VanDerWaalsContact C-N 3.26Å; R132-G134 PolarHBondContact O-N 3.29Å; G134-H136 PolarHBondContact O-N 3.22Å; G134-L137 VanDerWaalsContact O-CB 3.28Å; G134-L137 WeakPolarHBondContact O-CB 3.17Å; G134-L137 PolarHBondContact O-N 3.41Å; G134-R142 WeakPolarHBondContact O-CD 3.27Å; G134-R142 WeakPolarHBondContact O-CG 3.34Å
135L96.6Very high95.9Very high3 Ų354.5 Ų54.52%0.01626%0.256CS..THydrogen-bonded Turntrans-64.6-17-175.2-62.1-177.7000114.8E95 M96 F101 G130 N133E95-L135 WeakPolarHBondContact O-CD1 3.49Å; M96-L135 HydrophobicContact CE-CD2 4.08Å; M96-L135 WeakPolarHBondContact O-CD2 3.38Å; M96-L135 HydrophobicContact SD-CD2 4.3Å; F101-L135 HydrophobicContact CB-CB 4.29Å; F101-L135 HydrophobicContact CB-CD1 3.53Å; F101-L135 HydrophobicContact CD1-CB 3.56Å; F101-L135 HydrophobicContact CD1-CD1 4.37Å; F101-L135 HydrophobicContact CD2-CB 4.36Å; F101-L135 HydrophobicContact CD2-CD1 4.24Å; F101-L135 HydrophobicContact CE1-CB 3.9Å; F101-L135 HydrophobicContact CG-CB 3.81Å; F101-L135 HydrophobicContact CG-CD1 3.8Å; F101-L135 HydrophobicContact CG-CG 4.49Å; F101-L135 HydrophobicContact CZ-CB 4.42Å; G130-L135 VanDerWaalsContact O-CB 3.3Å; G130-L135 WeakPolarHBondContact O-CB 3.34Å; G130-L135 WeakPolarHBondContact O-CG 3.44Å; G130-L135 PolarHBondContact O-N 3.32Å; N133-L135 VanDerWaalsContact C-N 3.32Å; N133-L135 HydrophobicContact CB-CG 4.3Å; N133-L135 PolarHBondContact O-N 2.96Å
136H96.3Very high95.6Very high92 Ų9258.5 Ų58.543%0.42628%0.277SS..THydrogen-bonded Turntrans-85.2-9.417469.2-68.1000113.8F101 R131 G134F101-H136 HydrophobicContact CE1-CB 4.19Å; F101-H136 HydrophobicContact CZ-CB 4.16Å; R131-H136 WeakPolarHBondContact CA-ND1 3.24Å; R131-H136 HydrophobicContact CG-CB 4.3Å; R131-H136 PolarHBondContact O-CE1 2.91Å; R131-H136 PolarHBondContact O-ND1 2.97Å; G134-H136 PolarHBondContact O-N 3.22Å
137L96.6Very high95.3Very high27 Ų2759.5 Ų59.514%0.14129%0.292CS..SBendtrans-89166179.9-55.7176.8000111.2G134 K141 R142 I145 I250 L251G134-L137 VanDerWaalsContact O-CB 3.28Å; G134-L137 WeakPolarHBondContact O-CB 3.17Å; G134-L137 PolarHBondContact O-N 3.41Å; L137-K141 HydrophobicContact CB-CB 4.05Å; L137-K141 HydrophobicContact CB-CD 4.34Å; L137-K141 HydrophobicContact CD1-CB 4.2Å; L137-K141 HydrophobicContact CD1-CD 4.28Å; L137-K141 HydrophobicContact CD2-CD 4.48Å; L137-R142 HydrophobicContact CB-CG 4.36Å; L137-R142 PolarHBondContact O-NE 3.13Å; L137-I145 HydrophobicContact CD1-CD1 3.73Å; L137-I250 HydrophobicContact CD1-CG2 4.22Å; L137-L251 HydrophobicContact CD1-CD2 4.31Å
138D95.6Very high95.2Very high75 Ų7559.7 Ų59.740%0.40129%0.292SS..  trans-64.8162.31736175000112.6D140 K141 R142D138-D140 VanDerWaalsContact C-N 3.26Å; D138-D140 PolarHBondContact O-N 3.44Å; D138-D140 PolarHBondContact OD1-N 2.95Å; D138-K141 PolarHBondContact O-N 3.47Å; D138-K141 PolarHBondContact OD1-N 2.85Å; D138-K141 WeakPolarHBondContact OD2-CD 3.37Å; D138-K141 WeakPolarHBondContact OD2-CE 3.4Å; D138-K141 IonicContact OD2-NZ 3.76Å; D138-R142 WeakPolarHBondContact O-CG 3.36Å; D138-R142 PolarHBondContact O-N 3.02Å
139D93.2Very high95Very high85 Ų8558.1 Ų58.146%0.45529%0.286SS..Hα-helixtrans-62.8-31.4-172.9-68.115.8000113R142 K143D139-R142 VanDerWaalsContact CG-NH2 3.27Å; D139-R142 PolarHBondContact O-N 3.46Å; D139-R142 IonicContact OD1-CZ 3.85Å; D139-R142 IonicContact OD1-NE 3.7Å; D139-R142 IonicContact OD1-NH2 2.81Å; D139-R142 PolarHBondContact OD1-NH2 2.69Å; D139-R142 IonicContact OD2-NH2 3.48Å; D139-K143 VanDerWaalsContact O-CG 3.32Å; D139-K143 WeakPolarHBondContact O-CG 3.29Å; D139-K143 PolarHBondContact O-N 2.66Å
140D95.3Very high94.7Very high121 Ų12163.5 Ų63.565%0.64731%0.308SS*.Hα-helixtrans-72.6-44.8-179-67.7-24.4000110.8D138 R142 K143 L144D138-D140 VanDerWaalsContact C-N 3.26Å; D138-D140 PolarHBondContact O-N 3.44Å; D138-D140 PolarHBondContact OD1-N 2.95Å; D140-R142 VanDerWaalsContact C-N 3.32Å; D140-R142 PolarHBondContact O-N 3.21Å; D140-K143 PolarHBondContact O-N 2.93Å; D140-L144 PolarHBondContact O-N 3.27Å; D140-L144 VanDerWaalsContact O-N 3.11Å
141K96Very high94.6Very high94 Ų9466.7 Ų66.741%0.40932%0.321SS..Hα-helixtrans-62.8-38.1172.6-72.2-178-173171.90112.4L137 D138 L144 I145 I250L137-K141 HydrophobicContact CB-CB 4.05Å; L137-K141 HydrophobicContact CB-CD 4.34Å; L137-K141 HydrophobicContact CD1-CB 4.2Å; L137-K141 HydrophobicContact CD1-CD 4.28Å; L137-K141 HydrophobicContact CD2-CD 4.48Å; D138-K141 PolarHBondContact O-N 3.47Å; D138-K141 PolarHBondContact OD1-N 2.85Å; D138-K141 WeakPolarHBondContact OD2-CD 3.37Å; D138-K141 WeakPolarHBondContact OD2-CE 3.4Å; D138-K141 IonicContact OD2-NZ 3.76Å; K141-L144 PolarHBondContact O-N 3.47Å; K141-I145 WeakPolarHBondContact O-CG1 3.41Å; K141-I145 PolarHBondContact O-N 3.4Å; K141-I250 HydrophobicContact CB-CG2 4.08Å; K141-I250 HydrophobicContact CD-CG2 4.32Å; K141-I250 HydrophobicContact CG-CG2 4.22Å
142R94Very high94.6Very high45 Ų4560.9 Ų60.917%0.1730%0.299CS..Hα-helixtrans-64.3-44.2177.8-71.4-172.5-56.4140.7-1.8112G134 L137 D138 D139 D140 L144 I145 E146G134-R142 WeakPolarHBondContact O-CD 3.27Å; G134-R142 WeakPolarHBondContact O-CG 3.34Å; L137-R142 HydrophobicContact CB-CG 4.36Å; L137-R142 PolarHBondContact O-NE 3.13Å; D138-R142 WeakPolarHBondContact O-CG 3.36Å; D138-R142 PolarHBondContact O-N 3.02Å; D139-R142 VanDerWaalsContact CG-NH2 3.27Å; D139-R142 PolarHBondContact O-N 3.46Å; D139-R142 IonicContact OD1-CZ 3.85Å; D139-R142 IonicContact OD1-NE 3.7Å; D139-R142 IonicContact OD1-NH2 2.81Å; D139-R142 PolarHBondContact OD1-NH2 2.69Å; D139-R142 IonicContact OD2-NH2 3.48Å; D140-R142 VanDerWaalsContact C-N 3.32Å; D140-R142 PolarHBondContact O-N 3.21Å; R142-L144 VanDerWaalsContact C-N 3.28Å; R142-L144 PolarHBondContact O-N 3.12Å; R142-I145 PolarHBondContact O-N 2.72Å; R142-E146 WeakPolarHBondContact O-CB 3.4Å; R142-E146 PolarHBondContact O-N 3.08Å
143K92.4Very high94.5Very high132 Ų13264 Ų6457%0.57432%0.318SS*.Hα-helixtrans-60.1-39.1174.2-73.7169.6-172.81660112.1D139 D140 E146 A147D139-K143 VanDerWaalsContact O-CG 3.32Å; D139-K143 WeakPolarHBondContact O-CG 3.29Å; D139-K143 PolarHBondContact O-N 2.66Å; D140-K143 PolarHBondContact O-N 2.93Å; K143-E146 PolarHBondContact O-N 3.01Å; K143-A147 PolarHBondContact O-N 3.47Å
144L95Very high94.3Very high72 Ų7266.8 Ų66.838%0.37733%0.33SS..Hα-helixtrans-64.7-48.6176.2-176.557.3000111.3D140 K141 R142 E146 A147 L148 I250D140-L144 PolarHBondContact O-N 3.27Å; D140-L144 VanDerWaalsContact O-N 3.11Å; K141-L144 PolarHBondContact O-N 3.47Å; R142-L144 VanDerWaalsContact C-N 3.28Å; R142-L144 PolarHBondContact O-N 3.12Å; L144-E146 VanDerWaalsContact C-N 3.3Å; L144-E146 PolarHBondContact O-N 2.64Å; L144-A147 PolarHBondContact O-N 3.3Å; L144-L148 HydrophobicContact CD1-CD1 4.48Å; L144-L148 HydrophobicContact CD1-CG 4.4Å; L144-L148 HydrophobicContact CG-CD1 4.2Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.35Å; L144-L148 PolarHBondContact O-N 3.18Å; L144-I250 HydrophobicContact CB-CD1 4.49Å; L144-I250 HydrophobicContact CD2-CD1 3.38Å; L144-I250 HydrophobicContact CD2-CG1 4.23Å; L144-I250 HydrophobicContact CG-CD1 3.65Å
145I94.5Very high94.4Very high1 Ų168 Ų681%0.00534%0.336CS..Hα-helixtrans-57.8-43.2176-69.2162.3000111.3L137 K141 R142 L148 N149 I250 L251L137-I145 HydrophobicContact CD1-CD1 3.73Å; K141-I145 WeakPolarHBondContact O-CG1 3.41Å; K141-I145 PolarHBondContact O-N 3.4Å; R142-I145 PolarHBondContact O-N 2.72Å; I145-L148 PolarHBondContact O-N 3.04Å; I145-N149 WeakPolarHBondContact O-CB 3.41Å; I145-N149 VanDerWaalsContact O-CG 3.32Å; I145-N149 PolarHBondContact O-N 2.86Å; I145-I250 HydrophobicContact CD1-CG2 3.79Å; I145-I250 HydrophobicContact CG1-CB 4.39Å; I145-I250 HydrophobicContact CG1-CG2 3.84Å; I145-L251 HydrophobicContact CD1-CD2 3.65Å; I145-L251 HydrophobicContact CD1-CG 4.17Å
146E91.6Very high94.4Very high124 Ų12468.8 Ų68.858%0.57934%0.342SS*.Hα-helixtrans-60.9-45.3178.1-172.6-177.2170.600111.7R142 K143 L144 N149 K150R142-E146 WeakPolarHBondContact O-CB 3.4Å; R142-E146 PolarHBondContact O-N 3.08Å; K143-E146 PolarHBondContact O-N 3.01Å; L144-E146 VanDerWaalsContact C-N 3.3Å; L144-E146 PolarHBondContact O-N 2.64Å; E146-N149 PolarHBondContact O-N 3.39Å; E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 PolarHBondContact O-N 3.31Å
147A93Very high94Very high58 Ų5869 Ų6948%0.47935%0.345SS..Hα-helixtrans-62-44.3176.300000112.1K143 L144 K150 E151K143-A147 PolarHBondContact O-N 3.47Å; L144-A147 PolarHBondContact O-N 3.3Å; A147-K150 PolarHBondContact O-N 3.33Å; A147-E151 PolarHBondContact O-N 3.05Å; A147-E151 VanDerWaalsContact O-N 3.07Å
148L95.5Very high93.9Very high6 Ų669.3 Ų69.33%0.03135%0.347CS..Hα-helixtrans-62.1-47.4177.6-67171.5000111.7L144 I145 K150 E151 E152 L243 E246 R247 I250L144-L148 HydrophobicContact CD1-CD1 4.48Å; L144-L148 HydrophobicContact CD1-CG 4.4Å; L144-L148 HydrophobicContact CG-CD1 4.2Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.35Å; L144-L148 PolarHBondContact O-N 3.18Å; I145-L148 PolarHBondContact O-N 3.04Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 3.19Å; L148-E151 PolarHBondContact O-N 3.03Å; L148-E152 WeakPolarHBondContact O-CB 3.46Å; L148-E152 PolarHBondContact O-N 2.9Å; L148-L243 HydrophobicContact CD2-CD2 3.39Å; L148-E246 HydrophobicContact CD1-CB 4.27Å; L148-E246 HydrophobicContact CD1-CG 3.94Å; L148-E246 HydrophobicContact CD2-CG 4.41Å; L148-R247 HydrophobicContact CD1-CB 4.2Å; L148-I250 HydrophobicContact CD1-CD1 3.59Å
149N92.7Very high93.9Very high35 Ų3565.8 Ų65.819%0.18733%0.328CS..Hα-helixtrans-62.2-41.4178.7-76-17.2000111.8I145 E146 E152 N153 R247I145-N149 WeakPolarHBondContact O-CB 3.41Å; I145-N149 VanDerWaalsContact O-CG 3.32Å; I145-N149 PolarHBondContact O-N 2.86Å; E146-N149 PolarHBondContact O-N 3.39Å; N149-E152 PolarHBondContact O-N 2.7Å; N149-N153 WeakPolarHBondContact O-CB 3.23Å; N149-N153 PolarHBondContact O-N 3.05Å; N149-N153 PolarHBondContact O-ND2 3.07Å; N149-R247 WeakPolarHBondContact OD1-CD 3.44Å; N149-R247 PolarHBondContact OD1-NH1 2.9Å
150K90Very high93.8Very high164 Ų16464 Ų6471%0.71332%0.317SS*.Hα-helixtrans-62.5-44.8177.9-177.2175.6-179.9175.40111.7E146 A147 L148 Q154E146-K150 WeakPolarHBondContact O-CB 3.32Å; E146-K150 PolarHBondContact O-N 3.31Å; A147-K150 PolarHBondContact O-N 3.33Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 3.19Å; K150-Q154 PolarHBondContact O-N 3.22Å
151E96.2Very high93.4Very high73 Ų7363.4 Ų63.434%0.34131%0.306SS..Hα-helixtrans-65-46.8176.5-165.4-175.9159.300111.2A147 L148 N153 Q154 L155 R239 L243A147-E151 PolarHBondContact O-N 3.05Å; A147-E151 VanDerWaalsContact O-N 3.07Å; L148-E151 PolarHBondContact O-N 3.03Å; E151-N153 PolarHBondContact O-N 2.75Å; E151-Q154 PolarHBondContact O-N 3.34Å; E151-L155 HydrophobicContact CG-CD1 4.11Å; E151-L155 WeakPolarHBondContact O-CB 3.21Å; E151-L155 WeakPolarHBondContact O-CG 3.32Å; E151-L155 PolarHBondContact O-N 2.94Å; E151-R239 IonicContact OE1-CZ 2.68Å; E151-R239 IonicContact OE1-NE 3.86Å; E151-R239 PolarHBondContact OE1-NE 3.41Å; E151-R239 IonicContact OE1-NH2 3.14Å; E151-R239 PolarHBondContact OE1-NH2 3.48Å; E151-R239 IonicContact OE2-CZ 3.68Å; E151-R239 IonicContact OE2-NE 2.98Å; E151-R239 IonicContact OE2-NH2 3.56Å; E151-R239 PolarHBondContact OE2-NH2 2.68Å; E151-L243 HydrophobicContact CB-CD1 3.98Å; E151-L243 HydrophobicContact CB-CD2 4.42Å; E151-L243 HydrophobicContact CG-CD1 3.85Å
152E96.4Very high93.2Very high10 Ų1059.9 Ų59.95%0.04729%0.294CS..Hα-helixtrans-58-46.2178-178.2179.8175.100111.9L148 N149 Q154 L155 C156 L240 L243 R244 R247L148-E152 WeakPolarHBondContact O-CB 3.46Å; L148-E152 PolarHBondContact O-N 2.9Å; N149-E152 PolarHBondContact O-N 2.7Å; E152-Q154 PolarHBondContact O-N 3.4Å; E152-L155 PolarHBondContact O-N 2.67Å; E152-C156 WeakPolarHBondContact O-CB 3.34Å; E152-C156 PolarHBondContact O-N 2.95Å; E152-C156 PolarHBondContact O-SG 2.98Å; E152-L240 HydrophobicContact CB-CD2 4.41Å; E152-L240 HydrophobicContact CG-CD2 3.7Å; E152-L243 HydrophobicContact CB-CD1 4.26Å; E152-R244 WeakPolarHBondContact OE1-CG 3.22Å; E152-R244 IonicContact OE1-CZ 3.57Å; E152-R244 IonicContact OE1-NE 2.64Å; E152-R244 PolarHBondContact OE1-NE 2.78Å; E152-R244 IonicContact OE1-NH2 3.37Å; E152-R244 PolarHBondContact OE1-NH2 2.89Å; E152-R247 IonicContact OE1-NH1 2.58Å; E152-R247 IonicContact OE1-NH2 3.56Å; E152-R247 PolarHBondContact OE1-NH2 3.28Å; E152-R247 IonicContact OE2-CZ 2.67Å; E152-R247 IonicContact OE2-NE 2.78Å; E152-R247 IonicContact OE2-NH1 3.29Å; E152-R247 PolarHBondContact OE2-NH1 2.89Å; E152-R247 IonicContact OE2-NH2 2.75Å; E152-R247 PolarHBondContact OE2-NH2 3.16Å
153N92.1Very high92.9Very high91 Ų9158.8 Ų58.849%0.48729%0.292SS..Hα-helixtrans-61.2-44.5179.5-75.2-15.6000111.5N149 E151 L155 C156 I157N149-N153 WeakPolarHBondContact O-CB 3.23Å; N149-N153 PolarHBondContact O-N 3.05Å; N149-N153 PolarHBondContact O-ND2 3.07Å; E151-N153 PolarHBondContact O-N 2.75Å; N153-L155 PolarHBondContact O-N 2.99Å; N153-C156 PolarHBondContact O-N 3.23Å; N153-I157 WeakPolarHBondContact O-CG1 3.24Å; N153-I157 PolarHBondContact O-N 3.3Å
154Q91.5Very high92.4Very high94 Ų9457.9 Ų57.944%0.43929%0.293SS..Hα-helixtrans-62.5-44.1177-174.259.459.300111.4K150 E151 E152 C156 I157 D158K150-Q154 PolarHBondContact O-N 3.22Å; E151-Q154 PolarHBondContact O-N 3.34Å; E152-Q154 PolarHBondContact O-N 3.4Å; Q154-C156 VanDerWaalsContact C-N 3.35Å; Q154-C156 PolarHBondContact O-N 3.31Å; Q154-I157 PolarHBondContact O-N 2.86Å; Q154-D158 PolarHBondContact NE2-OD1 2.79Å; Q154-D158 WeakPolarHBondContact O-CB 3.45Å; Q154-D158 PolarHBondContact O-N 3.13Å
155L97.7Very high91.9Very high25 Ų2561.2 Ų61.213%0.13131%0.307CS..Hα-helixtrans-63.8-38.5177.5-74.3173.7000112.4E151 E152 N153 D158 F159 I236 R239 L240 L243E151-L155 HydrophobicContact CG-CD1 4.11Å; E151-L155 WeakPolarHBondContact O-CB 3.21Å; E151-L155 WeakPolarHBondContact O-CG 3.32Å; E151-L155 PolarHBondContact O-N 2.94Å; E152-L155 PolarHBondContact O-N 2.67Å; N153-L155 PolarHBondContact O-N 2.99Å; L155-D158 PolarHBondContact O-N 2.9Å; L155-F159 WeakPolarHBondContact O-CB 3.37Å; L155-F159 PolarHBondContact O-N 2.9Å; L155-I236 HydrophobicContact CB-CG2 3.99Å; L155-I236 HydrophobicContact CD2-CB 4.46Å; L155-I236 HydrophobicContact CD2-CG1 4.07Å; L155-I236 HydrophobicContact CD2-CG2 4.1Å; L155-I236 WeakPolarHBondContact O-CG2 3.42Å; L155-R239 HydrophobicContact CD1-CB 3.94Å; L155-R239 HydrophobicContact CD1-CG 3.48Å; L155-R239 VanDerWaalsContact CD1-CG 3.48Å; L155-L240 HydrophobicContact CB-CD2 3.64Å; L155-L240 HydrophobicContact CB-CG 4.1Å; L155-L240 HydrophobicContact CD1-CD2 4.27Å; L155-L240 HydrophobicContact CD1-CG 4.5Å; L155-L243 HydrophobicContact CD1-CD1 3.57Å
156C96.1Very high91.7Very high20 Ų2062.1 Ų62.114%0.13531%0.311CS..Hα-helixtrans-63.7-44.4174.8-69.70000111.3E152 N153 Q154 D158 F159 Q160 A601E152-C156 WeakPolarHBondContact O-CB 3.34Å; E152-C156 PolarHBondContact O-N 2.95Å; E152-C156 PolarHBondContact O-SG 2.98Å; N153-C156 PolarHBondContact O-N 3.23Å; Q154-C156 VanDerWaalsContact C-N 3.35Å; Q154-C156 PolarHBondContact O-N 3.31Å; C156-D158 VanDerWaalsContact C-N 3.33Å; C156-D158 PolarHBondContact O-N 3.42Å; C156-F159 PolarHBondContact O-N 2.81Å; C156-Q160 WeakPolarHBondContact O-CG 3.46Å; C156-Q160 PolarHBondContact O-N 2.79Å; C156-A601 HydrophobicContact CB-CB 4.24Å
157I89.6Confident91.7Very high96 Ų9661.6 Ų61.649%0.49231%0.312SS..Hα-helixtrans-59.8-45.8174.8-69.3165.1000110.5N153 Q154 F159 Q160 R161N153-I157 WeakPolarHBondContact O-CG1 3.24Å; N153-I157 PolarHBondContact O-N 3.3Å; Q154-I157 PolarHBondContact O-N 2.86Å; I157-F159 PolarHBondContact O-N 3.41Å; I157-Q160 PolarHBondContact O-N 3.46Å; I157-R161 VanDerWaalsContact O-CB 3.25Å; I157-R161 WeakPolarHBondContact O-CB 3.45Å; I157-R161 PolarHBondContact O-N 3.43Å
158D93.3Very high91.8Very high35 Ų3561.7 Ų61.719%0.18731%0.307CS..Hα-helixtrans-64.9-40.4-178.9-67.2-15.8000111.7Q154 L155 C156 R161 A162 I236Q154-D158 PolarHBondContact NE2-OD1 2.79Å; Q154-D158 WeakPolarHBondContact O-CB 3.45Å; Q154-D158 PolarHBondContact O-N 3.13Å; L155-D158 PolarHBondContact O-N 2.9Å; C156-D158 VanDerWaalsContact C-N 3.33Å; C156-D158 PolarHBondContact O-N 3.42Å; D158-R161 VanDerWaalsContact CG-NH2 3.29Å; D158-R161 PolarHBondContact O-N 3.27Å; D158-R161 IonicContact OD1-CZ 3.03Å; D158-R161 IonicContact OD1-NH1 3.7Å; D158-R161 PolarHBondContact OD1-NH1 3.03Å; D158-R161 VanDerWaalsContact OD1-NH1 3.11Å; D158-R161 IonicContact OD1-NH2 3.01Å; D158-R161 PolarHBondContact OD1-NH2 2.72Å; D158-R161 IonicContact OD2-NH2 3.45Å; D158-A162 WeakPolarHBondContact O-CB 3.3Å; D158-A162 PolarHBondContact O-N 3.36Å; D158-I236 HydrophobicContact CB-CD1 4.01Å
159F96.4Very high91.9Very high0 Ų064.3 Ų64.30%032%0.321CS..Hα-helixtrans-59.9-48.1175-169.2-79.5000111.8L155 C156 I157 L163 N233 I236 L237 A595 A601L155-F159 WeakPolarHBondContact O-CB 3.37Å; L155-F159 PolarHBondContact O-N 2.9Å; C156-F159 PolarHBondContact O-N 2.81Å; I157-F159 PolarHBondContact O-N 3.41Å; F159-L163 HydrophobicContact CD1-CD1 3.91Å; F159-L163 HydrophobicContact CE1-CD1 3.6Å; F159-L163 PolarHBondContact O-N 3.05Å; F159-N233 HydrophobicContact CD2-CB 3.68Å; F159-N233 HydrophobicContact CE2-CB 3.54Å; F159-N233 HydrophobicContact CG-CB 4.46Å; F159-N233 HydrophobicContact CZ-CB 4.2Å; F159-N233 PolarHBondContact O-ND2 3.3Å; F159-I236 HydrophobicContact CB-CG2 4.02Å; F159-I236 HydrophobicContact CD2-CB 4.36Å; F159-I236 HydrophobicContact CD2-CG2 3.93Å; F159-I236 HydrophobicContact CG-CG2 4.49Å; F159-L237 HydrophobicContact CE2-CB 4.45Å; F159-A595 VanDerWaalsContact CZ-O 3.25Å; F159-A595 WeakPolarHBondContact CZ-O 3.44Å; F159-A601 HydrophobicContact CB-CB 3.77Å; F159-A601 HydrophobicContact CD1-CB 3.61Å; F159-A601 HydrophobicContact CD2-CB 4.45Å; F159-A601 HydrophobicContact CE1-CB 4.29Å; F159-A601 HydrophobicContact CG-CB 3.7Å
160Q91.1Very high92.2Very high49 Ų4964.2 Ų64.223%0.22932%0.32CS..Hα-helixtrans-66.3-43.3177.8-65.9-61-24.400111.4C156 I157 A162 L163 N164 G598 A601C156-Q160 WeakPolarHBondContact O-CG 3.46Å; C156-Q160 PolarHBondContact O-N 2.79Å; I157-Q160 PolarHBondContact O-N 3.46Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; Q160-A162 PolarHBondContact O-N 2.82Å; Q160-L163 PolarHBondContact O-N 3.47Å; Q160-N164 WeakPolarHBondContact O-CB 3.4Å; Q160-N164 PolarHBondContact O-N 3.33Å; Q160-N164 PolarHBondContact O-ND2 2.93Å; Q160-G598 PolarHBondContact NE2-O 3.38Å; Q160-A601 VanDerWaalsContact NE2-C 3.28Å; Q160-A601 PolarHBondContact NE2-O 2.88Å
161R86.5Confident92.6Very high107 Ų10762.3 Ų62.340%0.40431%0.311SS..Hα-helixtrans-58.9-46.7179.1-176.9176.963.9-131.2-8.3110.8I157 D158 L163 N164 E165I157-R161 VanDerWaalsContact O-CB 3.25Å; I157-R161 WeakPolarHBondContact O-CB 3.45Å; I157-R161 PolarHBondContact O-N 3.43Å; D158-R161 VanDerWaalsContact CG-NH2 3.29Å; D158-R161 PolarHBondContact O-N 3.27Å; D158-R161 IonicContact OD1-CZ 3.03Å; D158-R161 IonicContact OD1-NH1 3.7Å; D158-R161 PolarHBondContact OD1-NH1 3.03Å; D158-R161 VanDerWaalsContact OD1-NH1 3.11Å; D158-R161 IonicContact OD1-NH2 3.01Å; D158-R161 PolarHBondContact OD1-NH2 2.72Å; D158-R161 IonicContact OD2-NH2 3.45Å; R161-L163 VanDerWaalsContact C-N 3.27Å; R161-L163 PolarHBondContact O-N 2.9Å; R161-N164 PolarHBondContact O-N 2.51Å; R161-E165 WeakPolarHBondContact CD-OE1 3.39Å; R161-E165 HydrophobicContact CG-CG 4.05Å; R161-E165 VanDerWaalsContact CG-OE1 3.27Å; R161-E165 WeakPolarHBondContact CG-OE1 3.17Å; R161-E165 WeakPolarHBondContact O-CB 3.45Å; R161-E165 WeakPolarHBondContact O-CG 3.44Å; R161-E165 PolarHBondContact O-N 3.05Å
162A91.8Very high92.7Very high21 Ų2159.2 Ų59.217%0.17430%0.297CS..Hα-helixtrans-55.3-42.8177.400000112D158 Q160 E166 C229 E232 N233D158-A162 WeakPolarHBondContact O-CB 3.3Å; D158-A162 PolarHBondContact O-N 3.36Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; Q160-A162 PolarHBondContact O-N 2.82Å; A162-E166 WeakPolarHBondContact O-CB 3.22Å; A162-E166 PolarHBondContact O-N 3.32Å; A162-E166 VanDerWaalsContact O-N 3.15Å; A162-C229 HydrophobicContact CB-CB 4.27Å; A162-C229 PolarHBondContact O-SG 3.44Å; A162-E232 HydrophobicContact CB-CB 4.36Å; A162-N233 VanDerWaalsContact CB-OD1 3.32Å; A162-N233 WeakPolarHBondContact CB-OD1 3.27Å
163L87.7Confident92.8Very high22 Ų2261.1 Ų61.112%0.11531%0.309CS..Hα-helixtrans-71.9-38.3178.1-64.9173.7000113.4F159 Q160 R161 E166 C229F159-L163 HydrophobicContact CD1-CD1 3.91Å; F159-L163 HydrophobicContact CE1-CD1 3.6Å; F159-L163 PolarHBondContact O-N 3.05Å; Q160-L163 PolarHBondContact O-N 3.47Å; R161-L163 VanDerWaalsContact C-N 3.27Å; R161-L163 PolarHBondContact O-N 2.9Å; L163-E166 VanDerWaalsContact O-CB 3.24Å; L163-E166 WeakPolarHBondContact O-CB 3.28Å; L163-E166 PolarHBondContact O-N 3.33Å; L163-C229 HydrophobicContact CD2-CB 4.08Å
164N81.4Confident93Very high113 Ų11359.7 Ų59.760%0.60430%0.302SS*.Hα-helixtrans-68.8-43.5-179.4-71.3-26.4000111.4Q160 R161 E166 K201Q160-N164 WeakPolarHBondContact O-CB 3.4Å; Q160-N164 PolarHBondContact O-N 3.33Å; Q160-N164 PolarHBondContact O-ND2 2.93Å; R161-N164 PolarHBondContact O-N 2.51Å; N164-E166 VanDerWaalsContact C-N 3.25Å; N164-E166 PolarHBondContact O-N 3.24Å; N164-K201 PolarHBondContact O-NZ 2.68Å
165E84.3Confident93.3Very high141 Ų14162.5 Ų62.566%0.65932%0.315SS*.Hα-helixtrans-77.1-10.5178.2-65.9179.4174.200113.1R161 N167R161-E165 WeakPolarHBondContact CD-OE1 3.39Å; R161-E165 HydrophobicContact CG-CG 4.05Å; R161-E165 VanDerWaalsContact CG-OE1 3.27Å; R161-E165 WeakPolarHBondContact CG-OE1 3.17Å; R161-E165 WeakPolarHBondContact O-CB 3.45Å; R161-E165 WeakPolarHBondContact O-CG 3.44Å; R161-E165 PolarHBondContact O-N 3.05Å; E165-N167 PolarHBondContact O-N 3.31Å
166E90.2Very high93.3Very high21 Ų2164 Ų6410%0.09832%0.321CS..  trans-57.9123.2174.7-158-71.912600110.6A162 L163 N164 T168 K201 R228A162-E166 WeakPolarHBondContact O-CB 3.22Å; A162-E166 PolarHBondContact O-N 3.32Å; A162-E166 VanDerWaalsContact O-N 3.15Å; L163-E166 VanDerWaalsContact O-CB 3.24Å; L163-E166 WeakPolarHBondContact O-CB 3.28Å; L163-E166 PolarHBondContact O-N 3.33Å; N164-E166 VanDerWaalsContact C-N 3.25Å; N164-E166 PolarHBondContact O-N 3.24Å; E166-T168 WeakPolarHBondContact OE1-CA 3.09Å; E166-T168 WeakPolarHBondContact OE1-CB 3.47Å; E166-T168 PolarHBondContact OE1-N 3.19Å; E166-T168 PolarHBondContact OE1-OG1 3.48Å; E166-K201 WeakPolarHBondContact O-CE 3.48Å; E166-K201 PolarHBondContact O-NZ 3.15Å; E166-R228 VanDerWaalsContact CD-CD 3.4Å; E166-R228 HydrophobicContact CG-CB 4.06Å; E166-R228 HydrophobicContact CG-CG 3.71Å; E166-R228 WeakPolarHBondContact OE2-CD 3.34Å
167N92Very high93.4Very high112 Ų11263.1 Ų63.160%0.59932%0.315SS*.  trans-141.638.3-172.8-165.947.7000112.8E165 L169E165-N167 PolarHBondContact O-N 3.31Å; N167-L169 PolarHBondContact O-N 3.46Å
168T96Very high93.7Very high60 Ų6061.5 Ų61.537%0.36831%0.31SS..  trans-61.6129.8172.4-640000109.3E166 L170 L200E166-T168 WeakPolarHBondContact OE1-CA 3.09Å; E166-T168 WeakPolarHBondContact OE1-CB 3.47Å; E166-T168 PolarHBondContact OE1-N 3.19Å; E166-T168 PolarHBondContact OE1-OG1 3.48Å; T168-L170 HydrophobicContact CG2-CD2 4.33Å; T168-L200 HydrophobicContact CG2-CD1 3.96Å; T168-L200 HydrophobicContact CG2-CG 4.31Å
169L97.4Very high93.7Very high62 Ų6261.9 Ų61.933%0.32532%0.322SS..EExtended strand (participates in β ladder)trans-119.9123.9177.5-62.4171.2000108.8N167 E197N167-L169 PolarHBondContact O-N 3.46Å; L169-E197 HydrophobicContact CB-CG 4.18Å; L169-E197 HydrophobicContact CD1-CG 4.07Å; L169-E197 HydrophobicContact CD2-CG 3.99Å; L169-E197 HydrophobicContact CG-CG 4.29Å
170L98.4Very high93.6Very high33 Ų3362.5 Ų62.517%0.17333%0.326CS..EExtended strand (participates in β ladder)trans-99.6159.2172.3-59.6179.5000109.7T168 F172 V198 L200 T220 L221 A224T168-L170 HydrophobicContact CG2-CD2 4.33Å; L170-F172 HydrophobicContact CB-CD2 4.31Å; L170-F172 HydrophobicContact CB-CE2 3.54Å; L170-F172 HydrophobicContact CB-CZ 3.98Å; L170-F172 HydrophobicContact CD1-CE2 4.08Å; L170-F172 HydrophobicContact CD1-CZ 3.96Å; L170-F172 HydrophobicContact CG-CE2 4.5Å; L170-V198 PolarHBondContact N-O 3.36Å; L170-V198 PolarHBondContact O-N 3.27Å; L170-L200 HydrophobicContact CD1-CD2 4.17Å; L170-T220 HydrophobicContact CD1-CG2 4.12Å; L170-L221 HydrophobicContact CD1-CD1 3.79Å; L170-A224 HydrophobicContact CD1-CB 3.94Å
171K98.3Very high93.5Very high123 Ų12362.1 Ų62.154%0.53533%0.328SS..EExtended strand (participates in β ladder)trans-128.6115.1-175.1-59.9175.3-174.1171.50109.7L191 K195 R196K171-L191 HydrophobicContact CD-CD1 3.76Å; K171-L191 HydrophobicContact CG-CD1 3.83Å; K171-K195 HydrophobicContact CB-CB 4.24Å; K171-K195 HydrophobicContact CB-CD 3.85Å; K171-K195 PolarHBondContact O-NZ 2.99Å; K171-R196 WeakPolarHBondContact CA-O 3.43Å
172F98.6Very high93.6Very high9 Ų960.3 Ų60.34%0.03934%0.336CS..EExtended strand (participates in β ladder)trans-120.3145.1-179.8-61.1-75.3000110.7L170 E176 L177 K195 R196 V198 T217 T220L170-F172 HydrophobicContact CB-CD2 4.31Å; L170-F172 HydrophobicContact CB-CE2 3.54Å; L170-F172 HydrophobicContact CB-CZ 3.98Å; L170-F172 HydrophobicContact CD1-CE2 4.08Å; L170-F172 HydrophobicContact CD1-CZ 3.96Å; L170-F172 HydrophobicContact CG-CE2 4.5Å; F172-E176 VanDerWaalsContact CA-OE2 3.22Å; F172-E176 WeakPolarHBondContact CA-OE2 3.37Å; F172-E176 HydrophobicContact CB-CB 3.95Å; F172-E176 HydrophobicContact CD1-CB 4.09Å; F172-E176 HydrophobicContact CG-CB 4.49Å; F172-L177 HydrophobicContact CB-CD1 4.18Å; F172-L177 HydrophobicContact CB-CD2 3.94Å; F172-L177 HydrophobicContact CB-CG 3.79Å; F172-L177 HydrophobicContact CD2-CD2 4.23Å; F172-L177 HydrophobicContact CG-CD2 4.18Å; F172-K195 CarbonylContact O-C 3.24Å; F172-K195 VanDerWaalsContact O-CA 3.28Å; F172-K195 WeakPolarHBondContact O-CA 3.29Å; F172-K195 WeakPolarHBondContact O-CB 3.44Å; F172-R196 PolarHBondContact N-O 3.15Å; F172-R196 VanDerWaalsContact N-O 3.09Å; F172-R196 PolarHBondContact O-N 3.19Å; F172-V198 HydrophobicContact CD2-CB 3.89Å; F172-V198 HydrophobicContact CD2-CG1 4.4Å; F172-V198 HydrophobicContact CD2-CG2 3.75Å; F172-V198 HydrophobicContact CE2-CB 4.07Å; F172-V198 HydrophobicContact CE2-CG1 4.2Å; F172-V198 HydrophobicContact CE2-CG2 4.36Å; F172-T217 HydrophobicContact CD1-CG2 3.97Å; F172-T217 HydrophobicContact CE1-CG2 3.84Å; F172-T217 HydrophobicContact CG-CG2 4.4Å; F172-T217 HydrophobicContact CZ-CG2 4.15Å; F172-T220 HydrophobicContact CE1-CG2 4.48Å; F172-T220 HydrophobicContact CZ-CG2 4.29Å
173T98.2Very high93.3Very high49 Ų4964.3 Ų64.330%0.30136%0.355SS..  trans-72.8162.7164.962.40000109.9E175 E176 L177 K195T173-E175 PolarHBondContact O-N 3.31Å; T173-E176 PolarHBondContact N-OE2 3.18Å; T173-E176 WeakPolarHBondContact O-CB 3.38Å; T173-E176 PolarHBondContact O-N 3.32Å; T173-E176 VanDerWaalsContact O-N 3.07Å; T173-E176 VanDerWaalsContact OG1-CG 3.28Å; T173-E176 WeakPolarHBondContact OG1-CG 3.36Å; T173-E176 PolarHBondContact OG1-N 3.16Å; T173-E176 PolarHBondContact OG1-OE2 2.92Å; T173-L177 PolarHBondContact O-N 3.02Å; T173-K195 HydrophobicContact CG2-CD 4.32Å; T173-K195 HydrophobicContact CG2-CG 3.94Å
174D97.1Very high93.3Very high61 Ų6165 Ų6533%0.32636%0.357SS..THydrogen-bonded Turntrans-58.7-36.1173.5-65.812.2000110.5L177 T178 R196D174-L177 CarbonylContact O-C 3.1Å; D174-L177 PolarHBondContact O-N 3.4Å; D174-L177 VanDerWaalsContact O-N 3.12Å; D174-T178 PolarHBondContact O-N 2.84Å; D174-R196 WeakPolarHBondContact OD1-CG 3.33Å; D174-R196 IonicContact OD1-CZ 2.94Å; D174-R196 IonicContact OD1-NE 3.04Å; D174-R196 PolarHBondContact OD1-NE 3.06Å; D174-R196 IonicContact OD1-NH2 3.63Å; D174-R196 IonicContact OD2-CZ 2.66Å; D174-R196 IonicContact OD2-NE 3.54Å; D174-R196 IonicContact OD2-NH2 2.86Å; D174-R196 PolarHBondContact OD2-NH2 2.81Å
175E97Very high94Very high153 Ų15360.5 Ų60.572%0.71533%0.332SS*.G310 helixtrans-61.6-42173.1-164.379.1-165.700112.4T173 L177 T178T173-E175 PolarHBondContact O-N 3.31Å; E175-L177 PolarHBondContact O-N 3.28Å; E175-T178 WeakPolarHBondContact O-CB 3.5Å; E175-T178 PolarHBondContact O-N 3.09Å; E175-T178 PolarHBondContact O-OG1 3.42Å
176E97.9Very high94.3Very high58 Ų5859 Ų5927%0.27133%0.329SS..G310 helixtrans-65.4-21.9176.4-74.7169.9142.100111.9F172 T173 K195 T217F172-E176 VanDerWaalsContact CA-OE2 3.22Å; F172-E176 WeakPolarHBondContact CA-OE2 3.37Å; F172-E176 HydrophobicContact CB-CB 3.95Å; F172-E176 HydrophobicContact CD1-CB 4.09Å; F172-E176 HydrophobicContact CG-CB 4.49Å; T173-E176 PolarHBondContact N-OE2 3.18Å; T173-E176 WeakPolarHBondContact O-CB 3.38Å; T173-E176 PolarHBondContact O-N 3.32Å; T173-E176 VanDerWaalsContact O-N 3.07Å; T173-E176 VanDerWaalsContact OG1-CG 3.28Å; T173-E176 WeakPolarHBondContact OG1-CG 3.36Å; T173-E176 PolarHBondContact OG1-N 3.16Å; T173-E176 PolarHBondContact OG1-OE2 2.92Å; E176-K195 IonicContact OE1-NZ 2.69Å; E176-K195 IonicContact OE2-NZ 2.65Å; E176-K195 PolarHBondContact OE2-NZ 2.65Å; E176-T217 WeakPolarHBondContact O-CB 3.4Å; E176-T217 WeakPolarHBondContact O-CG2 3.48Å; E176-T217 PolarHBondContact O-OG1 3.13Å
177L98.1Very high94.3Very high0 Ų061.2 Ų61.20%036%0.357CS..G310 helixtrans-999.2178.6-64.3174.8000113.9F172 T173 D174 E175 G179 C180 I185 L188 R196 V198 I208 T217F172-L177 HydrophobicContact CB-CD1 4.18Å; F172-L177 HydrophobicContact CB-CD2 3.94Å; F172-L177 HydrophobicContact CB-CG 3.79Å; F172-L177 HydrophobicContact CD2-CD2 4.23Å; F172-L177 HydrophobicContact CG-CD2 4.18Å; T173-L177 PolarHBondContact O-N 3.02Å; D174-L177 CarbonylContact O-C 3.1Å; D174-L177 PolarHBondContact O-N 3.4Å; D174-L177 VanDerWaalsContact O-N 3.12Å; E175-L177 PolarHBondContact O-N 3.28Å; L177-G179 PolarHBondContact O-N 2.93Å; L177-C180 WeakPolarHBondContact O-CB 3.42Å; L177-C180 PolarHBondContact O-N 3.41Å; L177-C180 VanDerWaalsContact O-N 3.13Å; L177-C180 PolarHBondContact O-SG 2.97Å; L177-C180 VanDerWaalsContact O-SG 3.41Å; L177-I185 HydrophobicContact CB-CD1 4.18Å; L177-I185 HydrophobicContact CB-CG1 4.25Å; L177-L188 HydrophobicContact CD1-CD1 3.66Å; L177-R196 HydrophobicContact CD1-CB 3.96Å; L177-R196 HydrophobicContact CD1-CG 4.03Å; L177-V198 HydrophobicContact CD1-CG2 4.47Å; L177-V198 HydrophobicContact CD2-CG2 4.49Å; L177-I208 HydrophobicContact CD2-CD1 3.99Å; L177-I208 HydrophobicContact CD2-CG1 4.28Å; L177-I208 HydrophobicContact CD2-CG2 4.42Å; L177-T217 HydrophobicContact CD2-CG2 4.19Å
178T96.1Very high94.4Very high62 Ų6256.1 Ų56.138%0.3833%0.33SS..THydrogen-bonded Turntrans-49.6137.3178.9-60.30000111.7D174 E175 A212 S213D174-T178 PolarHBondContact O-N 2.84Å; E175-T178 WeakPolarHBondContact O-CB 3.5Å; E175-T178 PolarHBondContact O-N 3.09Å; E175-T178 PolarHBondContact O-OG1 3.42Å; T178-A212 CarbonylContact O-C 3.53Å; T178-A212 WeakPolarHBondContact O-CA 3.39Å; T178-S213 PolarHBondContact O-N 2.97Å; T178-S213 PolarHBondContact O-OG 3.06Å
179G93.9Very high94.4Very high44 Ų4459.3 Ų59.345%0.45434%0.339SS..THydrogen-bonded Turntrans97.5-25.2-175.900000113.6L177 K211L177-G179 PolarHBondContact O-N 2.93Å; G179-K211 CarbonylContact C-O 3.57Å; G179-K211 VanDerWaalsContact C-O 3.24Å; G179-K211 WeakPolarHBondContact CA-O 3.35Å
180C94.5Very high94.3Very high12 Ų1262.3 Ų62.38%0.08135%0.349CS..SBendtrans-68.1147.2168.8-60.70000111.1L177 F184 I185L177-C180 WeakPolarHBondContact O-CB 3.42Å; L177-C180 PolarHBondContact O-N 3.41Å; L177-C180 VanDerWaalsContact O-N 3.13Å; L177-C180 PolarHBondContact O-SG 2.97Å; L177-C180 VanDerWaalsContact O-SG 3.41Å; C180-F184 HydrophobicContact CB-CD1 3.85Å; C180-F184 HydrophobicContact CB-CE1 4.36Å; C180-I185 HydrophobicContact CB-CD1 4.09Å; C180-I185 HydrophobicContact CB-CG1 3.99Å
181P89.1Confident94.3Very high41 Ų4162 Ų6227%0.26635%0.347SS..  trans-56.4145.1173.1-27.337.1000113.2D183 F184 I185P181-D183 WeakPolarHBondContact CB-OD1 3.34Å; P181-D183 PolarHBondContact O-N 3.38Å; P181-F184 HydrophobicContact CB-CB 4.25Å; P181-F184 WeakPolarHBondContact O-CB 3.41Å; P181-F184 PolarHBondContact O-N 3.13Å; P181-I185 PolarHBondContact O-N 3.35Å; P181-I185 VanDerWaalsContact O-N 3.1Å
182A88.7Confident94.2Very high69 Ų6963 Ų6357%0.5737%0.366SS*.Hα-helixtrans-63.9-40.5-17700000112.5F184 I185 D186A182-F184 VanDerWaalsContact C-N 3.3Å; A182-F184 PolarHBondContact O-N 3.01Å; A182-I185 PolarHBondContact O-N 3.45Å; A182-D186 WeakPolarHBondContact O-CB 3.32Å; A182-D186 PolarHBondContact O-N 2.76Å
183D84.7Confident94.1Very high106 Ų10666.7 Ų66.757%0.56739%0.393SS*.Hα-helixtrans-59.7-39.4174.560-29.5000112.1P181 G187P181-D183 WeakPolarHBondContact CB-OD1 3.34Å; P181-D183 PolarHBondContact O-N 3.38Å; D183-G187 PolarHBondContact O-N 3.04Å
184F88.6Confident94Very high36 Ų3666 Ų6616%0.15840%0.396CS..Hα-helixtrans-62.3-49172.7172.9-95.4000111.8C180 P181 A182 D186 G187 L188 P203 P207 I208C180-F184 HydrophobicContact CB-CD1 3.85Å; C180-F184 HydrophobicContact CB-CE1 4.36Å; P181-F184 HydrophobicContact CB-CB 4.25Å; P181-F184 WeakPolarHBondContact O-CB 3.41Å; P181-F184 PolarHBondContact O-N 3.13Å; A182-F184 VanDerWaalsContact C-N 3.3Å; A182-F184 PolarHBondContact O-N 3.01Å; F184-D186 VanDerWaalsContact C-N 3.32Å; F184-D186 PolarHBondContact O-N 3.25Å; F184-G187 PolarHBondContact O-N 3.27Å; F184-L188 HydrophobicContact CE1-CD1 4.01Å; F184-L188 HydrophobicContact CE1-CG 4.48Å; F184-L188 HydrophobicContact CZ-CD1 4.45Å; F184-L188 HydrophobicContact CZ-CD2 4.25Å; F184-L188 PolarHBondContact O-N 3.48Å; F184-P203 WeakPolarHBondContact CE2-O 3.43Å; F184-P207 HydrophobicContact CD2-CB 4.12Å; F184-P207 HydrophobicContact CD2-CG 4.42Å; F184-P207 HydrophobicContact CE2-CB 3.86Å; F184-P207 HydrophobicContact CE2-CG 4.03Å; F184-P207 HydrophobicContact CZ-CB 4.12Å; F184-I208 HydrophobicContact CE1-CD1 4.07Å; F184-I208 HydrophobicContact CE1-CG1 3.62Å; F184-I208 HydrophobicContact CZ-CD1 4.01Å; F184-I208 HydrophobicContact CZ-CG1 3.74Å
185I94.7Very high94Very high19 Ų1965.9 Ų65.910%0.09739%0.392CS..Hα-helixtrans-63.5-39.9-179-64.8167.5000111.1L177 C180 P181 A182 G187 L188 R196L177-I185 HydrophobicContact CB-CD1 4.18Å; L177-I185 HydrophobicContact CB-CG1 4.25Å; C180-I185 HydrophobicContact CB-CD1 4.09Å; C180-I185 HydrophobicContact CB-CG1 3.99Å; P181-I185 PolarHBondContact O-N 3.35Å; P181-I185 VanDerWaalsContact O-N 3.1Å; A182-I185 PolarHBondContact O-N 3.45Å; I185-G187 VanDerWaalsContact C-N 3.32Å; I185-L188 WeakPolarHBondContact O-CB 3.19Å; I185-L188 PolarHBondContact O-N 3.11Å; I185-L188 VanDerWaalsContact O-N 3.14Å; I185-R196 HydrophobicContact CG2-CG 4.25Å; I185-R196 PolarHBondContact O-NH1 3.22Å
186D91.2Very high94Very high110 Ų11059.3 Ų59.359%0.58836%0.361SS*.Hα-helixtrans-71.6-27.4179.3-74.5-24.9000113.2A182 F184 L188 R196A182-D186 WeakPolarHBondContact O-CB 3.32Å; A182-D186 PolarHBondContact O-N 2.76Å; F184-D186 VanDerWaalsContact C-N 3.32Å; F184-D186 PolarHBondContact O-N 3.25Å; D186-L188 PolarHBondContact O-N 2.76Å; D186-R196 IonicContact OD1-CZ 3.13Å; D186-R196 IonicContact OD1-NH1 2.75Å; D186-R196 IonicContact OD1-NH2 2.62Å; D186-R196 PolarHBondContact OD1-NH2 3.24Å
187G90.6Very high94Very high66 Ų6658.4 Ų58.468%0.6836%0.357SS*.Hα-helixtrans-66.7-20.8169.300000114D183 F184 I185D183-G187 PolarHBondContact O-N 3.04Å; F184-G187 PolarHBondContact O-N 3.27Å; I185-G187 VanDerWaalsContact C-N 3.32Å
188L93.6Very high94Very high6 Ų658.4 Ų58.43%0.03136%0.357CS..SBendtrans-76.5136.4177.2-58.9173.8000111.4L177 F184 I185 D186 K190 R196 V198 H204L177-L188 HydrophobicContact CD1-CD1 3.66Å; F184-L188 HydrophobicContact CE1-CD1 4.01Å; F184-L188 HydrophobicContact CE1-CG 4.48Å; F184-L188 HydrophobicContact CZ-CD1 4.45Å; F184-L188 HydrophobicContact CZ-CD2 4.25Å; F184-L188 PolarHBondContact O-N 3.48Å; I185-L188 WeakPolarHBondContact O-CB 3.19Å; I185-L188 PolarHBondContact O-N 3.11Å; I185-L188 VanDerWaalsContact O-N 3.14Å; D186-L188 PolarHBondContact O-N 2.76Å; L188-K190 PolarHBondContact O-N 3.14Å; L188-K190 VanDerWaalsContact O-N 3.16Å; L188-R196 HydrophobicContact CB-CB 3.98Å; L188-R196 HydrophobicContact CB-CG 4.38Å; L188-R196 HydrophobicContact CD1-CB 3.98Å; L188-R196 HydrophobicContact CD1-CG 4.44Å; L188-R196 PolarHBondContact O-NH1 2.81Å; L188-V198 HydrophobicContact CD1-CG2 3.83Å; L188-H204 VanDerWaalsContact CD2-CD2 3.49Å; L188-H204 WeakPolarHBondContact CD2-CD2 3.45Å; L188-H204 WeakPolarHBondContact CD2-NE2 3.29Å
189K95.3Very high94Very high127 Ų12756.2 Ų56.255%0.55234%0.344SS*.PPolyproline II helixtrans-59.2120.2176.2-179.8-173.5170.3-1620110.7E197K189-E197 HydrophobicContact CB-CB 4.36Å; K189-E197 WeakPolarHBondContact CD-OE1 3.42Å; K189-E197 IonicContact NZ-OE1 3.31Å; K189-E197 PolarHBondContact NZ-OE1 2.92Å; K189-E197 VanDerWaalsContact NZ-OE1 3.08Å; K189-E197 IonicContact NZ-OE2 3.77Å; K189-E197 PolarHBondContact O-N 3.12Å
190K97Very high94Very high125 Ų12554.3 Ų54.354%0.54332%0.323SS..BIsolated β-bridgetrans-84126.7175.3-165.1168.6-172.4165.10110.8L188L188-K190 PolarHBondContact O-N 3.14Å; L188-K190 VanDerWaalsContact O-N 3.16Å
191L97.2Very high93.6Very high25 Ų2557.5 Ų57.513%0.13134%0.336CS..PPolyproline II helixtrans-88.3161.1178.8-62.7177.7000111.5K171 S193 G194 K195 E197K171-L191 HydrophobicContact CD-CD1 3.76Å; K171-L191 HydrophobicContact CG-CD1 3.83Å; L191-S193 PolarHBondContact O-N 3.42Å; L191-S193 VanDerWaalsContact O-N 3.08Å; L191-G194 PolarHBondContact O-N 3.34Å; L191-K195 WeakPolarHBondContact CB-O 3.41Å; L191-K195 PolarHBondContact N-O 3.46Å; L191-E197 HydrophobicContact CD1-CB 4.3Å; L191-E197 HydrophobicContact CD2-CB 4.33Å; L191-E197 HydrophobicContact CG-CB 4.23Å
192P96.8Very high93.3Very high144 Ų14461.6 Ų61.694%0.93535%0.347SS*.THydrogen-bonded Turntrans-56.4-25175.1-27.235.7000114.5G194P192-G194 PolarHBondContact O-N 3.41Å
193S96Very high93Very high87 Ų8763 Ų6361%0.60835%0.35SS*.THydrogen-bonded Turntrans-72.5-4.9174.760.80000114.2L191 K195L191-S193 PolarHBondContact O-N 3.42Å; L191-S193 VanDerWaalsContact O-N 3.08Å; S193-K195 PolarHBondContact O-N 3.1Å; S193-K195 PolarHBondContact OG-N 3.2Å
194G95.6Very high93.3Very high34 Ų3460.3 Ų60.335%0.35133%0.334SS..SBendtrans83.7-11.6-172.400000114.4L191 P192L191-G194 PolarHBondContact O-N 3.34Å; P192-G194 PolarHBondContact O-N 3.41Å
195K98.1Very high93.6Very high60 Ų6059.1 Ų59.126%0.26133%0.328SS..PPolyproline II helixtrans-75.3153.5175.3-67.2-160.3172.2-134.90112.1K171 F172 T173 E176 L191 S193K171-K195 HydrophobicContact CB-CB 4.24Å; K171-K195 HydrophobicContact CB-CD 3.85Å; K171-K195 PolarHBondContact O-NZ 2.99Å; F172-K195 CarbonylContact O-C 3.24Å; F172-K195 VanDerWaalsContact O-CA 3.28Å; F172-K195 WeakPolarHBondContact O-CA 3.29Å; F172-K195 WeakPolarHBondContact O-CB 3.44Å; T173-K195 HydrophobicContact CG2-CD 4.32Å; T173-K195 HydrophobicContact CG2-CG 3.94Å; E176-K195 IonicContact OE1-NZ 2.69Å; E176-K195 IonicContact OE2-NZ 2.65Å; E176-K195 PolarHBondContact OE2-NZ 2.65Å; L191-K195 WeakPolarHBondContact CB-O 3.41Å; L191-K195 PolarHBondContact N-O 3.46Å; S193-K195 PolarHBondContact O-N 3.1Å; S193-K195 PolarHBondContact OG-N 3.2Å
196R97.7Very high93.4Very high14 Ų1460.6 Ų60.65%0.05333%0.334CS..EExtended strand (participates in β ladder)trans-87.6136170-54.6-63.4-179.6148.78.9110.5K171 F172 D174 L177 I185 D186 L188K171-R196 WeakPolarHBondContact CA-O 3.43Å; F172-R196 PolarHBondContact N-O 3.15Å; F172-R196 VanDerWaalsContact N-O 3.09Å; F172-R196 PolarHBondContact O-N 3.19Å; D174-R196 WeakPolarHBondContact OD1-CG 3.33Å; D174-R196 IonicContact OD1-CZ 2.94Å; D174-R196 IonicContact OD1-NE 3.04Å; D174-R196 PolarHBondContact OD1-NE 3.06Å; D174-R196 IonicContact OD1-NH2 3.63Å; D174-R196 IonicContact OD2-CZ 2.66Å; D174-R196 IonicContact OD2-NE 3.54Å; D174-R196 IonicContact OD2-NH2 2.86Å; D174-R196 PolarHBondContact OD2-NH2 2.81Å; L177-R196 HydrophobicContact CD1-CB 3.96Å; L177-R196 HydrophobicContact CD1-CG 4.03Å; I185-R196 HydrophobicContact CG2-CG 4.25Å; I185-R196 PolarHBondContact O-NH1 3.22Å; D186-R196 IonicContact OD1-CZ 3.13Å; D186-R196 IonicContact OD1-NH1 2.75Å; D186-R196 IonicContact OD1-NH2 2.62Å; D186-R196 PolarHBondContact OD1-NH2 3.24Å; L188-R196 HydrophobicContact CB-CB 3.98Å; L188-R196 HydrophobicContact CB-CG 4.38Å; L188-R196 HydrophobicContact CD1-CB 3.98Å; L188-R196 HydrophobicContact CD1-CG 4.44Å; L188-R196 PolarHBondContact O-NH1 2.81Å
197E97.8Very high93.4Very high40 Ų4057.1 Ų57.119%0.18732%0.318CS..EExtended strand (participates in β ladder)trans-84119.3173.7-174.9168.992.300109.6L169 K189 L191L169-E197 HydrophobicContact CB-CG 4.18Å; L169-E197 HydrophobicContact CD1-CG 4.07Å; L169-E197 HydrophobicContact CD2-CG 3.99Å; L169-E197 HydrophobicContact CG-CG 4.29Å; K189-E197 HydrophobicContact CB-CB 4.36Å; K189-E197 WeakPolarHBondContact CD-OE1 3.42Å; K189-E197 IonicContact NZ-OE1 3.31Å; K189-E197 PolarHBondContact NZ-OE1 2.92Å; K189-E197 VanDerWaalsContact NZ-OE1 3.08Å; K189-E197 IonicContact NZ-OE2 3.77Å; K189-E197 PolarHBondContact O-N 3.12Å; L191-E197 HydrophobicContact CD1-CB 4.3Å; L191-E197 HydrophobicContact CD2-CB 4.33Å; L191-E197 HydrophobicContact CG-CB 4.23Å
198V97.7Very high93.7Very high0 Ų054 Ų540%029%0.286CS..EExtended strand (participates in β ladder)trans-117.4122.5-178.6171.30000108.9L170 F172 L177 L188 H204 I208 L221L170-V198 PolarHBondContact N-O 3.36Å; L170-V198 PolarHBondContact O-N 3.27Å; F172-V198 HydrophobicContact CD2-CB 3.89Å; F172-V198 HydrophobicContact CD2-CG1 4.4Å; F172-V198 HydrophobicContact CD2-CG2 3.75Å; F172-V198 HydrophobicContact CE2-CB 4.07Å; F172-V198 HydrophobicContact CE2-CG1 4.2Å; F172-V198 HydrophobicContact CE2-CG2 4.36Å; L177-V198 HydrophobicContact CD1-CG2 4.47Å; L177-V198 HydrophobicContact CD2-CG2 4.49Å; L188-V198 HydrophobicContact CD1-CG2 3.83Å; V198-H204 HydrophobicContact CG1-CB 4.21Å; V198-I208 HydrophobicContact CB-CD1 4.37Å; V198-I208 HydrophobicContact CG1-CD1 3.46Å; V198-I208 VanDerWaalsContact CG1-CD1 3.46Å; V198-I208 HydrophobicContact CG2-CD1 3.92Å; V198-L221 HydrophobicContact CG1-CD1 4.09Å
199S95.1Very high94Very high16 Ų1653.8 Ų53.811%0.11228%0.284CS..EExtended strand (participates in β ladder)trans-89.4164.4173.776.10000112K201 H204S199-K201 PolarHBondContact O-N 3.48Å; S199-K201 PolarHBondContact OG-N 3.14Å; S199-H204 PolarHBondContact N-ND1 3.23Å; S199-H204 VanDerWaalsContact N-ND1 3.17Å; S199-H204 WeakPolarHBondContact O-CB 3.42Å; S199-H204 PolarHBondContact OG-ND1 3.49Å
200L94.7Very high94Very high3 Ų350.5 Ų50.52%0.01627%0.271CS..SBendtrans-83.37.6174-54.6-176.8000113.7T168 L170 L221 A224 F225 R228T168-L200 HydrophobicContact CG2-CD1 3.96Å; T168-L200 HydrophobicContact CG2-CG 4.31Å; L170-L200 HydrophobicContact CD1-CD2 4.17Å; L200-L221 HydrophobicContact CD2-CD1 3.64Å; L200-A224 HydrophobicContact CD1-CB 4.08Å; L200-A224 HydrophobicContact CD2-CB 3.82Å; L200-F225 HydrophobicContact CB-CD2 4.45Å; L200-F225 WeakPolarHBondContact O-CD2 3.21Å; L200-F225 WeakPolarHBondContact O-CE2 3.16Å; L200-R228 HydrophobicContact CD1-CG 3.69Å; L200-R228 PolarHBondContact O-NH1 3.38Å
201K85.5Confident93.9Very high80 Ų8046.4 Ų46.435%0.34825%0.253SS..SBendtrans-74.6152.9178.9-55.1-62.7178.4-174.80110.1N164 E166 S199 P203 H204 Y205N164-K201 PolarHBondContact O-NZ 2.68Å; E166-K201 WeakPolarHBondContact O-CE 3.48Å; E166-K201 PolarHBondContact O-NZ 3.15Å; S199-K201 PolarHBondContact O-N 3.48Å; S199-K201 PolarHBondContact OG-N 3.14Å; K201-P203 VanDerWaalsContact C-CD 3.45Å; K201-H204 PolarHBondContact O-N 3.45Å; K201-Y205 PolarHBondContact O-N 2.88Å
202Y82.4Confident93.9Very high127 Ų12745.2 Ų45.250%0.49825%0.247SC..Hα-helixtrans-54.7-41-170.5-71.511000114.6H204 Y205 F206 F225Y202-H204 PolarHBondContact O-N 3.06Å; Y202-H204 VanDerWaalsContact O-N 3.17Å; Y202-Y205 PolarHBondContact O-N 3.37Å; Y202-F206 AromaticContact CD1-CE2 3.91Å; Y202-F206 HydrophobicContact CD1-CE2 3.91Å; Y202-F206 HydrophobicContact CD1-CZ 4.47Å; Y202-F206 HydrophobicContact CD2-CD2 4.34Å; Y202-F206 AromaticContact CD2-CE2 3.52Å; Y202-F206 HydrophobicContact CD2-CE2 3.52Å; Y202-F206 HydrophobicContact CD2-CZ 4.39Å; Y202-F206 HydrophobicContact CE1-CE2 4.35Å; Y202-F206 AromaticContact CE2-CE2 3.95Å; Y202-F206 HydrophobicContact CE2-CE2 3.95Å; Y202-F206 HydrophobicContact CE2-CZ 4.41Å; Y202-F206 HydrophobicContact CG-CD2 4.04Å; Y202-F206 AromaticContact CG-CE2 3.47Å; Y202-F206 HydrophobicContact CG-CE2 3.47Å; Y202-F206 VanDerWaalsContact CG-CE2 3.47Å; Y202-F206 HydrophobicContact CG-CZ 4.4Å; Y202-F206 PolarHBondContact O-N 2.71Å; Y202-F206 VanDerWaalsContact O-N 3.14Å; Y202-F225 HydrophobicContact CD1-CE2 4.13Å; Y202-F225 HydrophobicContact CD1-CZ 4.25Å; Y202-F225 HydrophobicContact CE1-CE2 4.02Å; Y202-F225 AromaticContact CE1-CZ 3.72Å; Y202-F225 HydrophobicContact CE1-CZ 3.72Å
203P82.7Confident93.9Very high97 Ų9739.2 Ų39.263%0.6321%0.209SC*.Hα-helixtrans-61-23.7178.2-26.236.4000114.6F184 K201 P207F184-P203 WeakPolarHBondContact CE2-O 3.43Å; K201-P203 VanDerWaalsContact C-CD 3.45Å; P203-P207 WeakPolarHBondContact O-CD 3.4Å; P203-P207 WeakPolarHBondContact O-CG 2.97Å
204H91Very high93.9Very high50 Ų5036.7 Ų36.723%0.23119%0.188CC..Hα-helixtrans-96.5-43.4173.5-65.1161.6000111.8L188 V198 S199 K201 Y202 I208L188-H204 VanDerWaalsContact CD2-CD2 3.49Å; L188-H204 WeakPolarHBondContact CD2-CD2 3.45Å; L188-H204 WeakPolarHBondContact CD2-NE2 3.29Å; V198-H204 HydrophobicContact CG1-CB 4.21Å; S199-H204 PolarHBondContact N-ND1 3.23Å; S199-H204 VanDerWaalsContact N-ND1 3.17Å; S199-H204 WeakPolarHBondContact O-CB 3.42Å; S199-H204 PolarHBondContact OG-ND1 3.49Å; K201-H204 PolarHBondContact O-N 3.45Å; Y202-H204 PolarHBondContact O-N 3.06Å; Y202-H204 VanDerWaalsContact O-N 3.17Å; H204-I208 WeakPolarHBondContact O-CD1 3.36Å; H204-I208 VanDerWaalsContact O-CG1 3.27Å; H204-I208 WeakPolarHBondContact O-CG1 3.28Å; H204-I208 PolarHBondContact O-N 2.78Å
205Y94.8Very high94Very high11 Ų1136.5 Ų36.54%0.04318%0.181CC..Hα-helixtrans-61.1-55.3-173.5178.8-103.8000112.6K201 Y202 I208 M209 L221 F225K201-Y205 PolarHBondContact O-N 2.88Å; Y202-Y205 PolarHBondContact O-N 3.37Å; Y205-I208 PolarHBondContact O-N 3.09Å; Y205-M209 HydrophobicContact CD1-CG 4.2Å; Y205-M209 HydrophobicContact CD2-CG 3.86Å; Y205-M209 HydrophobicContact CE1-CG 3.87Å; Y205-M209 HydrophobicContact CE2-CG 3.49Å; Y205-M209 VanDerWaalsContact CE2-CG 3.49Å; Y205-M209 HydrophobicContact CE2-SD 3.91Å; Y205-M209 HydrophobicContact CG-CG 4.21Å; Y205-M209 WeakPolarHBondContact O-CB 3.5Å; Y205-M209 VanDerWaalsContact O-CG 3.23Å; Y205-M209 WeakPolarHBondContact O-CG 3.5Å; Y205-M209 PolarHBondContact O-N 3.49Å; Y205-L221 HydrophobicContact CD2-CD1 4.31Å; Y205-L221 HydrophobicContact CD2-CD2 3.99Å; Y205-L221 HydrophobicContact CD2-CG 3.73Å; Y205-L221 HydrophobicContact CE2-CG 4.08Å; Y205-F225 AromaticContact CD1-CD2 3.62Å; Y205-F225 HydrophobicContact CD1-CD2 3.62Å; Y205-F225 HydrophobicContact CD1-CE1 4.5Å; Y205-F225 AromaticContact CD1-CE2 3.44Å; Y205-F225 HydrophobicContact CD1-CE2 3.44Å; Y205-F225 VanDerWaalsContact CD1-CE2 3.44Å; Y205-F225 HydrophobicContact CD1-CG 4.3Å; Y205-F225 AromaticContact CD1-CZ 3.91Å; Y205-F225 HydrophobicContact CD1-CZ 3.91Å; Y205-F225 HydrophobicContact CD2-CB 3.83Å; Y205-F225 AromaticContact CD2-CD2 3.15Å; Y205-F225 HydrophobicContact CD2-CD2 3.15Å; Y205-F225 AromaticContact CD2-CE2 3.87Å; Y205-F225 HydrophobicContact CD2-CE2 3.87Å; Y205-F225 AromaticContact CD2-CG 3.65Å; Y205-F225 HydrophobicContact CD2-CG 3.65Å; Y205-F225 HydrophobicContact CE1-CD1 4.13Å; Y205-F225 AromaticContact CE1-CD2 3.83Å; Y205-F225 HydrophobicContact CE1-CD2 3.83Å; Y205-F225 HydrophobicContact CE1-CE1 4.07Å; Y205-F225 AromaticContact CE1-CE2 3.82Å; Y205-F225 HydrophobicContact CE1-CE2 3.82Å; Y205-F225 HydrophobicContact CE1-CG 4.03Å; Y205-F225 AromaticContact CE1-CZ 3.93Å; Y205-F225 HydrophobicContact CE1-CZ 3.93Å; Y205-F225 HydrophobicContact CE2-CB 3.36Å; Y205-F225 HydrophobicContact CE2-CD1 4.1Å; Y205-F225 AromaticContact CE2-CD2 3.4Å; Y205-F225 HydrophobicContact CE2-CD2 3.4Å; Y205-F225 VanDerWaalsContact CE2-CD2 3.4Å; Y205-F225 HydrophobicContact CE2-CE2 4.23Å; Y205-F225 AromaticContact CE2-CG 3.36Å; Y205-F225 HydrophobicContact CE2-CG 3.36Å; Y205-F225 AromaticContact CG-CD2 3.27Å; Y205-F225 HydrophobicContact CG-CD2 3.27Å; Y205-F225 AromaticContact CG-CE2 3.45Å; Y205-F225 HydrophobicContact CG-CE2 3.45Å; Y205-F225 VanDerWaalsContact CG-CE2 3.45Å; Y205-F225 HydrophobicContact CG-CG 4.11Å; Y205-F225 HydrophobicContact CG-CZ 4.36Å; Y205-F225 AromaticContact CZ-CD1 3.8Å; Y205-F225 AromaticContact CZ-CD2 3.73Å; Y205-F225 AromaticContact CZ-CG 3.55Å
206F90.7Very high93.9Very high50 Ų5038.1 Ų38.122%0.21919%0.189CC..Hα-helixtrans-66.4-46.1-171.8-69.1-58000113.6Y202 I208 M209 Q210Y202-F206 AromaticContact CD1-CE2 3.91Å; Y202-F206 HydrophobicContact CD1-CE2 3.91Å; Y202-F206 HydrophobicContact CD1-CZ 4.47Å; Y202-F206 HydrophobicContact CD2-CD2 4.34Å; Y202-F206 AromaticContact CD2-CE2 3.52Å; Y202-F206 HydrophobicContact CD2-CE2 3.52Å; Y202-F206 HydrophobicContact CD2-CZ 4.39Å; Y202-F206 HydrophobicContact CE1-CE2 4.35Å; Y202-F206 AromaticContact CE2-CE2 3.95Å; Y202-F206 HydrophobicContact CE2-CE2 3.95Å; Y202-F206 HydrophobicContact CE2-CZ 4.41Å; Y202-F206 HydrophobicContact CG-CD2 4.04Å; Y202-F206 AromaticContact CG-CE2 3.47Å; Y202-F206 HydrophobicContact CG-CE2 3.47Å; Y202-F206 VanDerWaalsContact CG-CE2 3.47Å; Y202-F206 HydrophobicContact CG-CZ 4.4Å; Y202-F206 PolarHBondContact O-N 2.71Å; Y202-F206 VanDerWaalsContact O-N 3.14Å; F206-I208 VanDerWaalsContact C-N 3.31Å; F206-I208 PolarHBondContact O-N 3.26Å; F206-M209 PolarHBondContact O-N 3.41Å; F206-Q210 WeakPolarHBondContact O-CB 3.44Å; F206-Q210 VanDerWaalsContact O-CG 3.29Å; F206-Q210 WeakPolarHBondContact O-CG 3.38Å; F206-Q210 PolarHBondContact O-N 2.88Å; F206-Q210 PolarHBondContact O-OE1 3.42Å
207P91.5Very high94Very high38 Ų3837.6 Ų37.625%0.24719%0.188CC..Hα-helixtrans-57.4-43.4177.1-28.638.3000112.7F184 P203 Q210 K211F184-P207 HydrophobicContact CD2-CB 4.12Å; F184-P207 HydrophobicContact CD2-CG 4.42Å; F184-P207 HydrophobicContact CE2-CB 3.86Å; F184-P207 HydrophobicContact CE2-CG 4.03Å; F184-P207 HydrophobicContact CZ-CB 4.12Å; P203-P207 WeakPolarHBondContact O-CD 3.4Å; P203-P207 WeakPolarHBondContact O-CG 2.97Å; P207-Q210 PolarHBondContact O-N 3.28Å; P207-K211 VanDerWaalsContact O-CB 3.32Å; P207-K211 WeakPolarHBondContact O-CB 3.27Å; P207-K211 PolarHBondContact O-N 3.38Å
208I97.7Very high94Very high0 Ų035.8 Ų35.80%018%0.179CC..Hα-helixtrans-65.7-45.2178.6-63.3170.7000110.7L177 F184 V198 H204 Y205 F206 Q210 K211 A212 T217 L221L177-I208 HydrophobicContact CD2-CD1 3.99Å; L177-I208 HydrophobicContact CD2-CG1 4.28Å; L177-I208 HydrophobicContact CD2-CG2 4.42Å; F184-I208 HydrophobicContact CE1-CD1 4.07Å; F184-I208 HydrophobicContact CE1-CG1 3.62Å; F184-I208 HydrophobicContact CZ-CD1 4.01Å; F184-I208 HydrophobicContact CZ-CG1 3.74Å; V198-I208 HydrophobicContact CB-CD1 4.37Å; V198-I208 HydrophobicContact CG1-CD1 3.46Å; V198-I208 VanDerWaalsContact CG1-CD1 3.46Å; V198-I208 HydrophobicContact CG2-CD1 3.92Å; H204-I208 WeakPolarHBondContact O-CD1 3.36Å; H204-I208 VanDerWaalsContact O-CG1 3.27Å; H204-I208 WeakPolarHBondContact O-CG1 3.28Å; H204-I208 PolarHBondContact O-N 2.78Å; Y205-I208 PolarHBondContact O-N 3.09Å; F206-I208 VanDerWaalsContact C-N 3.31Å; F206-I208 PolarHBondContact O-N 3.26Å; I208-Q210 PolarHBondContact O-N 3.42Å; I208-K211 PolarHBondContact O-N 3.02Å; I208-A212 HydrophobicContact CG2-CB 3.75Å; I208-A212 WeakPolarHBondContact O-CB 3.49Å; I208-A212 PolarHBondContact O-N 3.49Å; I208-T217 HydrophobicContact CG2-CG2 4Å; I208-L221 HydrophobicContact CB-CD2 3.65Å; I208-L221 HydrophobicContact CD1-CD2 4.06Å; I208-L221 HydrophobicContact CG1-CD2 4.46Å; I208-L221 HydrophobicContact CG2-CD2 3.48Å; I208-L221 VanDerWaalsContact CG2-CD2 3.48Å
209M98Very high94Very high1 Ų140.7 Ų40.71%0.00520%0.197CC..Hα-helixtrans-65.3-23.3178.7-68-51.7-58.600113.7Y205 F206 R218 L221 E222 W316 R319 Y320Y205-M209 HydrophobicContact CD1-CG 4.2Å; Y205-M209 HydrophobicContact CD2-CG 3.86Å; Y205-M209 HydrophobicContact CE1-CG 3.87Å; Y205-M209 HydrophobicContact CE2-CG 3.49Å; Y205-M209 VanDerWaalsContact CE2-CG 3.49Å; Y205-M209 HydrophobicContact CE2-SD 3.91Å; Y205-M209 HydrophobicContact CG-CG 4.21Å; Y205-M209 WeakPolarHBondContact O-CB 3.5Å; Y205-M209 VanDerWaalsContact O-CG 3.23Å; Y205-M209 WeakPolarHBondContact O-CG 3.5Å; Y205-M209 PolarHBondContact O-N 3.49Å; F206-M209 PolarHBondContact O-N 3.41Å; M209-R218 HydrophobicContact CE-CB 3.95Å; M209-R218 HydrophobicContact SD-CB 4.15Å; M209-L221 HydrophobicContact CG-CD2 4.36Å; M209-L221 HydrophobicContact SD-CB 4.23Å; M209-L221 HydrophobicContact SD-CD2 4.09Å; M209-L221 HydrophobicContact SD-CG 4.31Å; M209-E222 HydrophobicContact CE-CB 3.88Å; M209-E222 HydrophobicContact CE-CG 4.38Å; M209-E222 HydrophobicContact SD-CB 4.29Å; M209-W316 HydrophobicContact CE-CB 3.87Å; M209-W316 WeakPolarHBondContact CE-O 3.39Å; M209-R319 HydrophobicContact CB-CB 4.26Å; M209-Y320 WeakPolarHBondContact O-CA 3.37Å; M209-Y320 WeakPolarHBondContact O-CB 3.34Å; M209-Y320 PolarHBondContact O-N 3.29Å; M209-Y320 VanDerWaalsContact O-N 3.14Å
210Q95.9Very high94.2Very high59 Ų5942.3 Ų42.328%0.27621%0.207SC..Hα-helixtrans-91.1-27.9178.4-72.4169.4-35.800113.3F206 P207 I208 R319 Y320 N323F206-Q210 WeakPolarHBondContact O-CB 3.44Å; F206-Q210 VanDerWaalsContact O-CG 3.29Å; F206-Q210 WeakPolarHBondContact O-CG 3.38Å; F206-Q210 PolarHBondContact O-N 2.88Å; F206-Q210 PolarHBondContact O-OE1 3.42Å; P207-Q210 PolarHBondContact O-N 3.28Å; I208-Q210 PolarHBondContact O-N 3.42Å; Q210-R319 HydrophobicContact CG-CB 4.28Å; Q210-Y320 WeakPolarHBondContact O-CD2 3.34Å; Q210-N323 HydrophobicContact CB-CB 4.21Å; Q210-N323 HydrophobicContact CG-CB 4.46Å; Q210-N323 PolarHBondContact O-ND2 3.48Å
211K94.9Very high94.4Very high39 Ų3942.2 Ų42.217%0.1721%0.206CC..Hα-helixtrans-124.4-23.7-166.9-63.8-72.4-175.3165.60115.6G179 P207 I208 S213 E327G179-K211 CarbonylContact C-O 3.57Å; G179-K211 VanDerWaalsContact C-O 3.24Å; G179-K211 WeakPolarHBondContact CA-O 3.35Å; P207-K211 VanDerWaalsContact O-CB 3.32Å; P207-K211 WeakPolarHBondContact O-CB 3.27Å; P207-K211 PolarHBondContact O-N 3.38Å; I208-K211 PolarHBondContact O-N 3.02Å; K211-S213 PolarHBondContact O-N 2.97Å; K211-E327 IonicContact NZ-OE1 3.19Å; K211-E327 PolarHBondContact NZ-OE1 3.37Å
212A97.2Very high95Very high0 Ų038.6 Ų38.60%019%0.191CC..  trans-69.3117.5-178.500000111.1T178 I208 N214 T217 R218 Y320T178-A212 CarbonylContact O-C 3.53Å; T178-A212 WeakPolarHBondContact O-CA 3.39Å; I208-A212 HydrophobicContact CG2-CB 3.75Å; I208-A212 WeakPolarHBondContact O-CB 3.49Å; I208-A212 PolarHBondContact O-N 3.49Å; A212-N214 VanDerWaalsContact C-N 3.29Å; A212-N214 PolarHBondContact O-N 3.4Å; A212-T217 HydrophobicContact CB-CG2 4.35Å; A212-R218 HydrophobicContact CB-CG 4.3Å; A212-R218 WeakPolarHBondContact O-CD 3.23Å; A212-R218 PolarHBondContact O-NH1 3.32Å; A212-Y320 WeakPolarHBondContact O-CD2 3.32Å; A212-Y320 WeakPolarHBondContact O-CE2 2.96Å
213S96.3Very high95.8Very high18 Ų1834.5 Ų34.513%0.12618%0.179CC..  trans-75-18.9-177.760.70000113T178 K211 P215 R218T178-S213 PolarHBondContact O-N 2.97Å; T178-S213 PolarHBondContact O-OG 3.06Å; K211-S213 PolarHBondContact O-N 2.97Å; S213-P215 VanDerWaalsContact O-CD 3.31Å; S213-P215 WeakPolarHBondContact O-CD 3.26Å; S213-R218 PolarHBondContact O-NH1 2.94Å
214N97Very high96.5Very high34 Ų3430.9 Ų30.918%0.18216%0.157CC..  trans-76.6113.6176.4-175.8-22.6000110.9A212 E216 T217 R218A212-N214 VanDerWaalsContact C-N 3.29Å; A212-N214 PolarHBondContact O-N 3.4Å; N214-E216 VanDerWaalsContact C-N 3.31Å; N214-E216 PolarHBondContact O-N 3.4Å; N214-E216 PolarHBondContact OD1-N 2.81Å; N214-T217 WeakPolarHBondContact O-CB 3.45Å; N214-T217 PolarHBondContact O-N 2.99Å; N214-T217 PolarHBondContact OD1-N 3.33Å; N214-R218 PolarHBondContact O-N 2.94Å
215P96.8Very high96.8Very high30 Ų3029.3 Ų29.320%0.19515%0.15CC..Hα-helixtrans-66.7-29-17827.6-34.4000113.1S213 R218 R219 Y307S213-P215 VanDerWaalsContact O-CD 3.31Å; S213-P215 WeakPolarHBondContact O-CD 3.26Å; P215-R218 PolarHBondContact O-N 3.43Å; P215-R219 VanDerWaalsContact O-CB 3.27Å; P215-R219 WeakPolarHBondContact O-CB 3.3Å; P215-R219 PolarHBondContact O-N 3.48Å; P215-Y307 HydrophobicContact CG-CD1 4.14Å; P215-Y307 HydrophobicContact CG-CD2 3.95Å; P215-Y307 HydrophobicContact CG-CE1 4.12Å; P215-Y307 HydrophobicContact CG-CE2 3.91Å; P215-Y307 HydrophobicContact CG-CG 4.07Å
216E97.3Very high97Very high94 Ų9429.8 Ų29.844%0.43915%0.153SC..Hα-helixtrans-72.7-33.8178.5-167.958.7-151.500111.5N214 R219 T220N214-E216 VanDerWaalsContact C-N 3.31Å; N214-E216 PolarHBondContact O-N 3.4Å; N214-E216 PolarHBondContact OD1-N 2.81Å; E216-R219 PolarHBondContact O-N 2.85Å; E216-R219 IonicContact OE1-NH1 3.48Å; E216-R219 PolarHBondContact OE1-NH1 2.64Å; E216-R219 IonicContact OE2-NH1 3.86Å; E216-T220 VanDerWaalsContact O-CB 3.32Å; E216-T220 WeakPolarHBondContact O-CB 3.37Å; E216-T220 PolarHBondContact O-N 2.93Å; E216-T220 PolarHBondContact O-OG1 3.39Å
217T98.5Very high97.4Very high3 Ų329.3 Ų29.32%0.01816%0.156CC..Hα-helixtrans-59.7-50.6170.5-610000110.3F172 E176 L177 I208 A212 N214 R219 T220 L221F172-T217 HydrophobicContact CD1-CG2 3.97Å; F172-T217 HydrophobicContact CE1-CG2 3.84Å; F172-T217 HydrophobicContact CG-CG2 4.4Å; F172-T217 HydrophobicContact CZ-CG2 4.15Å; E176-T217 WeakPolarHBondContact O-CB 3.4Å; E176-T217 WeakPolarHBondContact O-CG2 3.48Å; E176-T217 PolarHBondContact O-OG1 3.13Å; L177-T217 HydrophobicContact CD2-CG2 4.19Å; I208-T217 HydrophobicContact CG2-CG2 4Å; A212-T217 HydrophobicContact CB-CG2 4.35Å; N214-T217 WeakPolarHBondContact O-CB 3.45Å; N214-T217 PolarHBondContact O-N 2.99Å; N214-T217 PolarHBondContact OD1-N 3.33Å; T217-R219 PolarHBondContact O-N 3.44Å; T217-T220 PolarHBondContact O-N 3.21Å; T217-L221 VanDerWaalsContact O-CB 3.3Å; T217-L221 WeakPolarHBondContact O-CB 3.47Å; T217-L221 PolarHBondContact O-N 2.84Å
218R98.4Very high97.6Very high1 Ų128.7 Ų28.70%0.00415%0.149CC..Hα-helixtrans-61.5-44.1177.9-61.4-163-54.6-943.8111.6M209 A212 S213 N214 P215 L221 E222 W316 D317M209-R218 HydrophobicContact CE-CB 3.95Å; M209-R218 HydrophobicContact SD-CB 4.15Å; A212-R218 HydrophobicContact CB-CG 4.3Å; A212-R218 WeakPolarHBondContact O-CD 3.23Å; A212-R218 PolarHBondContact O-NH1 3.32Å; S213-R218 PolarHBondContact O-NH1 2.94Å; N214-R218 PolarHBondContact O-N 2.94Å; P215-R218 PolarHBondContact O-N 3.43Å; R218-L221 PolarHBondContact O-N 3.09Å; R218-E222 VanDerWaalsContact O-CB 3.24Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 PolarHBondContact O-N 2.86Å; R218-W316 HydrophobicContact CB-CB 4.12Å; R218-W316 WeakPolarHBondContact CD-O 3.49Å; R218-W316 PolarHBondContact NE-O 2.94Å; R218-W316 VanDerWaalsContact NE-O 3.08Å; R218-D317 IonicContact NH2-OD1 3.91Å; R218-D317 PolarHBondContact NH2-OD1 3.27Å
219R98.2Very high97.6Very high103 Ų10329.4 Ų29.439%0.38915%0.154SC..Hα-helixtrans-61.2-48.9178.5-179.6177.3175.5-102.1-4112.3P215 E216 T217 L221 E222 T223 W316P215-R219 VanDerWaalsContact O-CB 3.27Å; P215-R219 WeakPolarHBondContact O-CB 3.3Å; P215-R219 PolarHBondContact O-N 3.48Å; E216-R219 PolarHBondContact O-N 2.85Å; E216-R219 IonicContact OE1-NH1 3.48Å; E216-R219 PolarHBondContact OE1-NH1 2.64Å; E216-R219 IonicContact OE2-NH1 3.86Å; T217-R219 PolarHBondContact O-N 3.44Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.04Å; R219-E222 PolarHBondContact O-N 3.23Å; R219-T223 VanDerWaalsContact O-CB 3.31Å; R219-T223 WeakPolarHBondContact O-CB 3.42Å; R219-T223 PolarHBondContact O-N 3.37Å; R219-T223 PolarHBondContact O-OG1 3.21Å; R219-W316 HydrophobicContact CB-CD2 3.76Å; R219-W316 HydrophobicContact CB-CE3 4.29Å; R219-W316 HydrophobicContact CB-CG 3.88Å; R219-W316 HydrophobicContact CB-CZ2 4.44Å; R219-W316 HydrophobicContact CG-CD2 3.84Å; R219-W316 HydrophobicContact CG-CE3 3.9Å; R219-W316 HydrophobicContact CG-CG 4.46Å; R219-W316 HydrophobicContact CG-CH2 4.14Å; R219-W316 HydrophobicContact CG-CZ2 4.04Å; R219-W316 HydrophobicContact CG-CZ3 4.06Å
220T98.6Very high97.6Very high51 Ų5131.7 Ų31.731%0.31317%0.165SC..Hα-helixtrans-59.4-45.7178.6-59.70000110.4L170 F172 E216 T217 A224L170-T220 HydrophobicContact CD1-CG2 4.12Å; F172-T220 HydrophobicContact CE1-CG2 4.48Å; F172-T220 HydrophobicContact CZ-CG2 4.29Å; E216-T220 VanDerWaalsContact O-CB 3.32Å; E216-T220 WeakPolarHBondContact O-CB 3.37Å; E216-T220 PolarHBondContact O-N 2.93Å; E216-T220 PolarHBondContact O-OG1 3.39Å; T217-T220 PolarHBondContact O-N 3.21Å; T220-A224 WeakPolarHBondContact O-CB 3.39Å; T220-A224 PolarHBondContact O-N 3.47Å
221L98.5Very high97.7Very high0 Ų037.3 Ų37.30%019%0.189CC..Hα-helixtrans-69.3-43.3-177.9-172.863.6000112.4L170 V198 L200 Y205 I208 M209 T217 R218 R219 A224 F225L170-L221 HydrophobicContact CD1-CD1 3.79Å; V198-L221 HydrophobicContact CG1-CD1 4.09Å; L200-L221 HydrophobicContact CD2-CD1 3.64Å; Y205-L221 HydrophobicContact CD2-CD1 4.31Å; Y205-L221 HydrophobicContact CD2-CD2 3.99Å; Y205-L221 HydrophobicContact CD2-CG 3.73Å; Y205-L221 HydrophobicContact CE2-CG 4.08Å; I208-L221 HydrophobicContact CB-CD2 3.65Å; I208-L221 HydrophobicContact CD1-CD2 4.06Å; I208-L221 HydrophobicContact CG1-CD2 4.46Å; I208-L221 HydrophobicContact CG2-CD2 3.48Å; I208-L221 VanDerWaalsContact CG2-CD2 3.48Å; M209-L221 HydrophobicContact CG-CD2 4.36Å; M209-L221 HydrophobicContact SD-CB 4.23Å; M209-L221 HydrophobicContact SD-CD2 4.09Å; M209-L221 HydrophobicContact SD-CG 4.31Å; T217-L221 VanDerWaalsContact O-CB 3.3Å; T217-L221 WeakPolarHBondContact O-CB 3.47Å; T217-L221 PolarHBondContact O-N 2.84Å; R218-L221 PolarHBondContact O-N 3.09Å; R219-L221 VanDerWaalsContact C-N 3.3Å; R219-L221 PolarHBondContact O-N 3.04Å; L221-A224 PolarHBondContact O-N 2.84Å; L221-F225 VanDerWaalsContact O-CB 3.23Å; L221-F225 WeakPolarHBondContact O-CB 3.32Å; L221-F225 PolarHBondContact O-N 2.96Å
222E98.7Very high97.8Very high5 Ų540.2 Ų40.22%0.02320%0.203CC..Hα-helixtrans-63.4-44.3175.9-173.5-83155.300112.2M209 R218 R219 A224 F225 N226 P315 W316 T588M209-E222 HydrophobicContact CE-CB 3.88Å; M209-E222 HydrophobicContact CE-CG 4.38Å; M209-E222 HydrophobicContact SD-CB 4.29Å; R218-E222 VanDerWaalsContact O-CB 3.24Å; R218-E222 WeakPolarHBondContact O-CB 3.47Å; R218-E222 PolarHBondContact O-N 2.86Å; R219-E222 PolarHBondContact O-N 3.23Å; E222-A224 PolarHBondContact O-N 3.29Å; E222-F225 PolarHBondContact O-N 3.14Å; E222-N226 PolarHBondContact O-N 3.06Å; E222-N226 PolarHBondContact OE1-ND2 3.31Å; E222-P315 HydrophobicContact CG-CB 4.26Å; E222-P315 WeakPolarHBondContact OE1-CB 3.25Å; E222-W316 HydrophobicContact CB-CB 3.68Å; E222-W316 HydrophobicContact CG-CB 4Å; E222-T588 WeakPolarHBondContact OE2-CB 3.42Å; E222-T588 PolarHBondContact OE2-OG1 3.1Å
223T98.7Very high97.8Very high41 Ų4140.2 Ų40.225%0.25220%0.203SC..Hα-helixtrans-59.9-48.3177.4-57.90000110.2R219 S227 T591R219-T223 VanDerWaalsContact O-CB 3.31Å; R219-T223 WeakPolarHBondContact O-CB 3.42Å; R219-T223 PolarHBondContact O-N 3.37Å; R219-T223 PolarHBondContact O-OG1 3.21Å; T223-S227 WeakPolarHBondContact O-CB 3.29Å; T223-S227 PolarHBondContact O-N 3.19Å; T223-S227 PolarHBondContact O-OG 2.84Å; T223-T591 HydrophobicContact CG2-CG2 4.1Å
224A98.5Very high97.9Very high21 Ų2140.5 Ų40.517%0.17420%0.204CC..Hα-helixtrans-62.8-44.1177.800000111.8L170 L200 T220 L221 E222 N226 S227 R228L170-A224 HydrophobicContact CD1-CB 3.94Å; L200-A224 HydrophobicContact CD1-CB 4.08Å; L200-A224 HydrophobicContact CD2-CB 3.82Å; T220-A224 WeakPolarHBondContact O-CB 3.39Å; T220-A224 PolarHBondContact O-N 3.47Å; L221-A224 PolarHBondContact O-N 2.84Å; E222-A224 PolarHBondContact O-N 3.29Å; A224-N226 PolarHBondContact O-N 3.35Å; A224-S227 PolarHBondContact O-N 3.33Å; A224-R228 PolarHBondContact O-N 3.29Å
225F97.8Very high97.9Very high17 Ų1742.6 Ų42.68%0.07522%0.22CC..Hα-helixtrans-59.8-47.5179.3-172.8-81.4000112.4L200 Y202 Y205 L221 E222 S227 R228L200-F225 HydrophobicContact CB-CD2 4.45Å; L200-F225 WeakPolarHBondContact O-CD2 3.21Å; L200-F225 WeakPolarHBondContact O-CE2 3.16Å; Y202-F225 HydrophobicContact CD1-CE2 4.13Å; Y202-F225 HydrophobicContact CD1-CZ 4.25Å; Y202-F225 HydrophobicContact CE1-CE2 4.02Å; Y202-F225 AromaticContact CE1-CZ 3.72Å; Y202-F225 HydrophobicContact CE1-CZ 3.72Å; Y205-F225 AromaticContact CD1-CD2 3.62Å; Y205-F225 HydrophobicContact CD1-CD2 3.62Å; Y205-F225 HydrophobicContact CD1-CE1 4.5Å; Y205-F225 AromaticContact CD1-CE2 3.44Å; Y205-F225 HydrophobicContact CD1-CE2 3.44Å; Y205-F225 VanDerWaalsContact CD1-CE2 3.44Å; Y205-F225 HydrophobicContact CD1-CG 4.3Å; Y205-F225 AromaticContact CD1-CZ 3.91Å; Y205-F225 HydrophobicContact CD1-CZ 3.91Å; Y205-F225 HydrophobicContact CD2-CB 3.83Å; Y205-F225 AromaticContact CD2-CD2 3.15Å; Y205-F225 HydrophobicContact CD2-CD2 3.15Å; Y205-F225 AromaticContact CD2-CE2 3.87Å; Y205-F225 HydrophobicContact CD2-CE2 3.87Å; Y205-F225 AromaticContact CD2-CG 3.65Å; Y205-F225 HydrophobicContact CD2-CG 3.65Å; Y205-F225 HydrophobicContact CE1-CD1 4.13Å; Y205-F225 AromaticContact CE1-CD2 3.83Å; Y205-F225 HydrophobicContact CE1-CD2 3.83Å; Y205-F225 HydrophobicContact CE1-CE1 4.07Å; Y205-F225 AromaticContact CE1-CE2 3.82Å; Y205-F225 HydrophobicContact CE1-CE2 3.82Å; Y205-F225 HydrophobicContact CE1-CG 4.03Å; Y205-F225 AromaticContact CE1-CZ 3.93Å; Y205-F225 HydrophobicContact CE1-CZ 3.93Å; Y205-F225 HydrophobicContact CE2-CB 3.36Å; Y205-F225 HydrophobicContact CE2-CD1 4.1Å; Y205-F225 AromaticContact CE2-CD2 3.4Å; Y205-F225 HydrophobicContact CE2-CD2 3.4Å; Y205-F225 VanDerWaalsContact CE2-CD2 3.4Å; Y205-F225 HydrophobicContact CE2-CE2 4.23Å; Y205-F225 AromaticContact CE2-CG 3.36Å; Y205-F225 HydrophobicContact CE2-CG 3.36Å; Y205-F225 AromaticContact CG-CD2 3.27Å; Y205-F225 HydrophobicContact CG-CD2 3.27Å; Y205-F225 AromaticContact CG-CE2 3.45Å; Y205-F225 HydrophobicContact CG-CE2 3.45Å; Y205-F225 VanDerWaalsContact CG-CE2 3.45Å; Y205-F225 HydrophobicContact CG-CG 4.11Å; Y205-F225 HydrophobicContact CG-CZ 4.36Å; Y205-F225 AromaticContact CZ-CD1 3.8Å; Y205-F225 AromaticContact CZ-CD2 3.73Å; Y205-F225 AromaticContact CZ-CG 3.55Å; L221-F225 VanDerWaalsContact O-CB 3.23Å; L221-F225 WeakPolarHBondContact O-CB 3.32Å; L221-F225 PolarHBondContact O-N 2.96Å; E222-F225 PolarHBondContact O-N 3.14Å; F225-S227 VanDerWaalsContact C-N 3.27Å; F225-S227 PolarHBondContact O-N 3.1Å; F225-R228 WeakPolarHBondContact O-CG 3.28Å; F225-R228 PolarHBondContact O-NE 2.79Å; F225-R228 PolarHBondContact O-NH2 3.43Å; F225-R228 VanDerWaalsContact O-NH2 3.12Å
226N98.1Very high98Very high20 Ų2042.3 Ų42.311%0.10722%0.216CC..THydrogen-bonded Turntrans-85.93.8-179.4-70.4-38.5000113.6E222 A224 T591 F592 M593E222-N226 PolarHBondContact O-N 3.06Å; E222-N226 PolarHBondContact OE1-ND2 3.31Å; A224-N226 PolarHBondContact O-N 3.35Å; N226-T591 HydrophobicContact CB-CG2 4.13Å; N226-F592 CarbonylContact O-C 3.52Å; N226-F592 PolarHBondContact O-N 3.16Å; N226-M593 HydrophobicContact CB-CB 4.38Å; N226-M593 VanDerWaalsContact OD1-CG 3.3Å; N226-M593 WeakPolarHBondContact OD1-CG 3.29Å
227S98.2Very high98Very high40 Ų4037.9 Ų37.928%0.2820%0.195SC..THydrogen-bonded Turntrans-104.6-0171.7-570000114.1T223 A224 F225 C229 I230T223-S227 WeakPolarHBondContact O-CB 3.29Å; T223-S227 PolarHBondContact O-N 3.19Å; T223-S227 PolarHBondContact O-OG 2.84Å; A224-S227 PolarHBondContact O-N 3.33Å; F225-S227 VanDerWaalsContact C-N 3.27Å; F225-S227 PolarHBondContact O-N 3.1Å; S227-C229 PolarHBondContact O-N 2.96Å; S227-I230 WeakPolarHBondContact O-CG1 3.23Å; S227-I230 PolarHBondContact O-N 3.44Å
228R97.1Very high97.9Very high26 Ų2641.5 Ų41.510%0.09821%0.211CC..THydrogen-bonded Turntrans-57.7131.2178.4-74.6-169.8-58.4-99.5-15.1111.4E166 L200 A224 F225 I230E166-R228 VanDerWaalsContact CD-CD 3.4Å; E166-R228 HydrophobicContact CG-CB 4.06Å; E166-R228 HydrophobicContact CG-CG 3.71Å; E166-R228 WeakPolarHBondContact OE2-CD 3.34Å; L200-R228 HydrophobicContact CD1-CG 3.69Å; L200-R228 PolarHBondContact O-NH1 3.38Å; A224-R228 PolarHBondContact O-N 3.29Å; F225-R228 WeakPolarHBondContact O-CG 3.28Å; F225-R228 PolarHBondContact O-NE 2.79Å; F225-R228 PolarHBondContact O-NH2 3.43Å; F225-R228 VanDerWaalsContact O-NH2 3.12Å; R228-I230 PolarHBondContact O-N 3.45Å
229C97.2Very high97.8Very high15 Ų1545.1 Ų45.110%0.10123%0.225CC..THydrogen-bonded Turntrans57.420.6171.1-48.40000114.4A162 L163 S227 K231 E232 N233A162-C229 HydrophobicContact CB-CB 4.27Å; A162-C229 PolarHBondContact O-SG 3.44Å; L163-C229 HydrophobicContact CD2-CB 4.08Å; S227-C229 PolarHBondContact O-N 2.96Å; C229-K231 PolarHBondContact O-N 3.13Å; C229-E232 VanDerWaalsContact CA-OE2 3.25Å; C229-E232 WeakPolarHBondContact CA-OE2 3.39Å; C229-E232 PolarHBondContact O-N 2.85Å; C229-N233 HydrophobicContact CB-CB 4.18Å; C229-N233 VanDerWaalsContact O-CB 3.24Å; C229-N233 WeakPolarHBondContact O-CB 3.44Å; C229-N233 PolarHBondContact O-N 3.09Å
230I97.9Very high97.8Very high49 Ų4940.2 Ų40.225%0.25121%0.206SC..Hα-helixtrans-55-44.2-179.4-72.4-178.4000111S227 R228 T234 G590 F592 A595S227-I230 WeakPolarHBondContact O-CG1 3.23Å; S227-I230 PolarHBondContact O-N 3.44Å; R228-I230 PolarHBondContact O-N 3.45Å; I230-T234 WeakPolarHBondContact O-CB 3.26Å; I230-T234 PolarHBondContact O-N 3.42Å; I230-T234 VanDerWaalsContact O-N 3.15Å; I230-T234 PolarHBondContact O-OG1 2.94Å; I230-G590 WeakPolarHBondContact CD1-O 3.31Å; I230-F592 HydrophobicContact CD1-CB 3.89Å; I230-F592 HydrophobicContact CG1-CB 4.05Å; I230-A595 HydrophobicContact CG1-CB 4.27Å
231K97.3Very high97.7Very high177 Ų17738.2 Ų38.277%0.7719%0.193SC*.Hα-helixtrans-66.6-39.3-176.3-177-175.3174.7-170.60111.9C229 P235C229-K231 PolarHBondContact O-N 3.13Å; K231-P235 VanDerWaalsContact O-CD 3.31Å; K231-P235 WeakPolarHBondContact O-CD 3.39Å
232E97.6Very high97.5Very high99 Ų9942.2 Ų42.246%0.46321%0.212SC..Hα-helixtrans-81.3-49.3-177.2-61.973.8-162.500111.3A162 C229 P235 I236A162-E232 HydrophobicContact CB-CB 4.36Å; C229-E232 VanDerWaalsContact CA-OE2 3.25Å; C229-E232 WeakPolarHBondContact CA-OE2 3.39Å; C229-E232 PolarHBondContact O-N 2.85Å; E232-P235 WeakPolarHBondContact O-CD 3.33Å; E232-I236 WeakPolarHBondContact O-CD1 3.19Å; E232-I236 WeakPolarHBondContact O-CG1 3.46Å
233N98.3Very high97.5Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-89.7-22.5-166.6-75.94.5000114.1F159 A162 C229 I236 L237 A595F159-N233 HydrophobicContact CD2-CB 3.68Å; F159-N233 HydrophobicContact CE2-CB 3.54Å; F159-N233 HydrophobicContact CG-CB 4.46Å; F159-N233 HydrophobicContact CZ-CB 4.2Å; F159-N233 PolarHBondContact O-ND2 3.3Å; A162-N233 VanDerWaalsContact CB-OD1 3.32Å; A162-N233 WeakPolarHBondContact CB-OD1 3.27Å; C229-N233 HydrophobicContact CB-CB 4.18Å; C229-N233 VanDerWaalsContact O-CB 3.24Å; C229-N233 WeakPolarHBondContact O-CB 3.44Å; C229-N233 PolarHBondContact O-N 3.09Å; N233-I236 PolarHBondContact O-N 3Å; N233-L237 WeakPolarHBondContact O-CB 3.3Å; N233-L237 PolarHBondContact O-N 3.49Å; N233-A595 HydrophobicContact CB-CB 4.07Å; N233-A595 VanDerWaalsContact CB-O 3.25Å; N233-A595 WeakPolarHBondContact CB-O 2.92Å; N233-A595 PolarHBondContact ND2-O 3.3Å
234T97.6Very high97.4Very high24 Ų2440.1 Ų40.115%0.14720%0.199CC..Hα-helixtrans-64.9-47.3176.7-53.60000112.1I230 I236 L237 K238 F592I230-T234 WeakPolarHBondContact O-CB 3.26Å; I230-T234 PolarHBondContact O-N 3.42Å; I230-T234 VanDerWaalsContact O-N 3.15Å; I230-T234 PolarHBondContact O-OG1 2.94Å; T234-I236 VanDerWaalsContact C-N 3.33Å; T234-I236 PolarHBondContact O-N 2.8Å; T234-L237 PolarHBondContact O-N 2.85Å; T234-K238 PolarHBondContact O-N 2.77Å; T234-K238 VanDerWaalsContact O-N 3.14Å; T234-F592 HydrophobicContact CG2-CD1 4.22Å; T234-F592 HydrophobicContact CG2-CE1 3.91Å; T234-F592 WeakPolarHBondContact OG1-CD1 3.31Å
235P97.3Very high97.3Very high79 Ų7945.9 Ų45.951%0.51322%0.216SC..Hα-helixtrans-62-39.7173.6-22.434.5000112.8K231 E232 K238 R239K231-P235 VanDerWaalsContact O-CD 3.31Å; K231-P235 WeakPolarHBondContact O-CD 3.39Å; E232-P235 WeakPolarHBondContact O-CD 3.33Å; P235-K238 PolarHBondContact O-N 3.13Å; P235-R239 PolarHBondContact O-N 2.82Å
236I98.1Very high97.2Very high24 Ų2448.9 Ų48.912%0.12323%0.23CC..Hα-helixtrans-59.6-48.1176.3-68.1171.8000110.4L155 D158 F159 E232 N233 T234 K238 R239 L240L155-I236 HydrophobicContact CB-CG2 3.99Å; L155-I236 HydrophobicContact CD2-CB 4.46Å; L155-I236 HydrophobicContact CD2-CG1 4.07Å; L155-I236 HydrophobicContact CD2-CG2 4.1Å; L155-I236 WeakPolarHBondContact O-CG2 3.42Å; D158-I236 HydrophobicContact CB-CD1 4.01Å; F159-I236 HydrophobicContact CB-CG2 4.02Å; F159-I236 HydrophobicContact CD2-CB 4.36Å; F159-I236 HydrophobicContact CD2-CG2 3.93Å; F159-I236 HydrophobicContact CG-CG2 4.49Å; E232-I236 WeakPolarHBondContact O-CD1 3.19Å; E232-I236 WeakPolarHBondContact O-CG1 3.46Å; N233-I236 PolarHBondContact O-N 3Å; T234-I236 VanDerWaalsContact C-N 3.33Å; T234-I236 PolarHBondContact O-N 2.8Å; I236-K238 PolarHBondContact O-N 3.03Å; I236-R239 PolarHBondContact O-N 3.43Å; I236-L240 HydrophobicContact CG2-CD1 3.88Å; I236-L240 HydrophobicContact CG2-CG 4.18Å; I236-L240 WeakPolarHBondContact O-CG 3.39Å; I236-L240 PolarHBondContact O-N 3.42Å
237L97.5Very high97.2Very high0 Ų049 Ų490%023%0.229CC..Hα-helixtrans-59.1-46.1179.6-17960.3000111.8F159 N233 T234 R239 L240 M241 I562 F592 P594 L600F159-L237 HydrophobicContact CE2-CB 4.45Å; N233-L237 WeakPolarHBondContact O-CB 3.3Å; N233-L237 PolarHBondContact O-N 3.49Å; T234-L237 PolarHBondContact O-N 2.85Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 2.89Å; L237-L240 PolarHBondContact O-N 2.97Å; L237-M241 HydrophobicContact CD1-SD 4.49Å; L237-M241 HydrophobicContact CG-SD 4.13Å; L237-M241 VanDerWaalsContact O-CG 3.26Å; L237-M241 WeakPolarHBondContact O-CG 3.27Å; L237-M241 PolarHBondContact O-N 2.9Å; L237-I562 HydrophobicContact CD1-CD1 3.97Å; L237-F592 HydrophobicContact CD2-CE1 4.19Å; L237-F592 HydrophobicContact CD2-CZ 4.05Å; L237-P594 HydrophobicContact CD2-CB 4.31Å; L237-L600 HydrophobicContact CD1-CB 4.37Å; L237-L600 HydrophobicContact CD1-CD1 3.88Å; L237-L600 HydrophobicContact CD2-CD1 4.24Å
238K96.3Very high97.1Very high79 Ų7947.1 Ų47.134%0.34322%0.216SC..Hα-helixtrans-58.9-43.7176.8-70.9-174.8177.4-166.40111.4T234 P235 I236 M241 E242 P571T234-K238 PolarHBondContact O-N 2.77Å; T234-K238 VanDerWaalsContact O-N 3.14Å; P235-K238 PolarHBondContact O-N 3.13Å; I236-K238 PolarHBondContact O-N 3.03Å; K238-M241 PolarHBondContact O-N 3.14Å; K238-E242 WeakPolarHBondContact O-CG 3.39Å; K238-E242 PolarHBondContact O-N 3.01Å; K238-P571 HydrophobicContact CG-CG 4.39Å
239R96.9Very high97Very high78 Ų7850 Ų5029%0.29424%0.241SC..Hα-helixtrans-67.4-40.1178.2-173.557.4179.9152.87.2112.6E151 L155 P235 I236 L237 M241 E242 L243E151-R239 IonicContact OE1-CZ 2.68Å; E151-R239 IonicContact OE1-NE 3.86Å; E151-R239 PolarHBondContact OE1-NE 3.41Å; E151-R239 IonicContact OE1-NH2 3.14Å; E151-R239 PolarHBondContact OE1-NH2 3.48Å; E151-R239 IonicContact OE2-CZ 3.68Å; E151-R239 IonicContact OE2-NE 2.98Å; E151-R239 IonicContact OE2-NH2 3.56Å; E151-R239 PolarHBondContact OE2-NH2 2.68Å; L155-R239 HydrophobicContact CD1-CB 3.94Å; L155-R239 HydrophobicContact CD1-CG 3.48Å; L155-R239 VanDerWaalsContact CD1-CG 3.48Å; P235-R239 PolarHBondContact O-N 2.82Å; I236-R239 PolarHBondContact O-N 3.43Å; L237-R239 VanDerWaalsContact C-N 3.31Å; L237-R239 PolarHBondContact O-N 2.89Å; R239-M241 VanDerWaalsContact C-N 3.3Å; R239-M241 PolarHBondContact O-N 3.04Å; R239-E242 WeakPolarHBondContact CD-OE2 3.05Å; R239-E242 IonicContact CZ-OE2 3.74Å; R239-E242 IonicContact NH1-OE2 2.8Å; R239-E242 PolarHBondContact NH1-OE2 2.99Å; R239-E242 PolarHBondContact O-N 2.65Å; R239-L243 HydrophobicContact CG-CD1 4.11Å; R239-L243 HydrophobicContact CG-CG 4.36Å; R239-L243 VanDerWaalsContact O-CG 3.3Å; R239-L243 WeakPolarHBondContact O-CG 3.48Å; R239-L243 PolarHBondContact O-N 3.09Å
240L97.6Very high97Very high0 Ų050.8 Ų50.80%024%0.244CC..Hα-helixtrans-57.4-43.8173.8-73.5172.7000111.5E152 L155 I236 L237 E242 L243 R244 A601E152-L240 HydrophobicContact CB-CD2 4.41Å; E152-L240 HydrophobicContact CG-CD2 3.7Å; L155-L240 HydrophobicContact CB-CD2 3.64Å; L155-L240 HydrophobicContact CB-CG 4.1Å; L155-L240 HydrophobicContact CD1-CD2 4.27Å; L155-L240 HydrophobicContact CD1-CG 4.5Å; I236-L240 HydrophobicContact CG2-CD1 3.88Å; I236-L240 HydrophobicContact CG2-CG 4.18Å; I236-L240 WeakPolarHBondContact O-CG 3.39Å; I236-L240 PolarHBondContact O-N 3.42Å; L237-L240 PolarHBondContact O-N 2.97Å; L240-E242 PolarHBondContact O-N 2.94Å; L240-L243 PolarHBondContact O-N 2.78Å; L240-R244 VanDerWaalsContact O-CB 3.25Å; L240-R244 WeakPolarHBondContact O-CB 3.04Å; L240-R244 WeakPolarHBondContact O-CD 3.39Å; L240-R244 WeakPolarHBondContact O-CG 3.49Å; L240-R244 PolarHBondContact O-N 3.25Å; L240-A601 HydrophobicContact CD1-CB 4.33Å
241M95.9Very high97Very high9 Ų949.2 Ų49.24%0.04424%0.235CC..Hα-helixtrans-61.5-42.7178.2-66.6162.559.600112.1L237 K238 R239 R245 I562 W567L237-M241 HydrophobicContact CD1-SD 4.49Å; L237-M241 HydrophobicContact CG-SD 4.13Å; L237-M241 VanDerWaalsContact O-CG 3.26Å; L237-M241 WeakPolarHBondContact O-CG 3.27Å; L237-M241 PolarHBondContact O-N 2.9Å; K238-M241 PolarHBondContact O-N 3.14Å; R239-M241 VanDerWaalsContact C-N 3.3Å; R239-M241 PolarHBondContact O-N 3.04Å; M241-R245 WeakPolarHBondContact O-CB 3.35Å; M241-R245 PolarHBondContact O-N 3.33Å; M241-R245 VanDerWaalsContact O-N 3.1Å; M241-I562 HydrophobicContact CE-CB 3.71Å; M241-I562 HydrophobicContact CE-CG2 4.01Å; M241-I562 HydrophobicContact CG-CB 4.22Å; M241-I562 HydrophobicContact CG-CD1 4.45Å; M241-I562 HydrophobicContact SD-CB 3.93Å; M241-I562 HydrophobicContact SD-CD1 4.44Å; M241-I562 HydrophobicContact SD-CG2 4.26Å; M241-W567 HydrophobicContact CE-CD2 3.32Å; M241-W567 VanDerWaalsContact CE-CE2 3.47Å; M241-W567 HydrophobicContact CE-CE3 3.26Å; M241-W567 HydrophobicContact CE-CG 4.03Å; M241-W567 HydrophobicContact CE-CH2 3.75Å; M241-W567 HydrophobicContact CE-CZ2 3.7Å; M241-W567 HydrophobicContact CE-CZ3 3.51Å
242E95.6Very high96.9Very high83 Ų8344 Ų4439%0.38823%0.232SC..Hα-helixtrans-62.2-51.6176.2-68.7170.318000112.2K238 R239 L240 R244 R245 E246K238-E242 WeakPolarHBondContact O-CG 3.39Å; K238-E242 PolarHBondContact O-N 3.01Å; R239-E242 WeakPolarHBondContact CD-OE2 3.05Å; R239-E242 IonicContact CZ-OE2 3.74Å; R239-E242 IonicContact NH1-OE2 2.8Å; R239-E242 PolarHBondContact NH1-OE2 2.99Å; R239-E242 PolarHBondContact O-N 2.65Å; L240-E242 PolarHBondContact O-N 2.94Å; E242-R244 VanDerWaalsContact C-N 3.34Å; E242-R244 PolarHBondContact O-N 3.49Å; E242-R245 PolarHBondContact O-N 3.21Å; E242-E246 PolarHBondContact O-N 3.1Å
243L97.3Very high96.9Very high0 Ų041.6 Ų41.60%022%0.22CC..Hα-helixtrans-58.8-45.7-179.1-70.6173.2000111.6L148 E151 E152 L155 R239 L240 E246 R247L148-L243 HydrophobicContact CD2-CD2 3.39Å; E151-L243 HydrophobicContact CB-CD1 3.98Å; E151-L243 HydrophobicContact CB-CD2 4.42Å; E151-L243 HydrophobicContact CG-CD1 3.85Å; E152-L243 HydrophobicContact CB-CD1 4.26Å; L155-L243 HydrophobicContact CD1-CD1 3.57Å; R239-L243 HydrophobicContact CG-CD1 4.11Å; R239-L243 HydrophobicContact CG-CG 4.36Å; R239-L243 VanDerWaalsContact O-CG 3.3Å; R239-L243 WeakPolarHBondContact O-CG 3.48Å; R239-L243 PolarHBondContact O-N 3.09Å; L240-L243 PolarHBondContact O-N 2.78Å; L243-E246 PolarHBondContact O-N 3.49Å; L243-R247 WeakPolarHBondContact O-CB 3.28Å; L243-R247 PolarHBondContact O-N 3.36Å
244R97.4Very high96.7Very high2 Ų246.9 Ų46.91%0.00825%0.254CS..Hα-helixtrans-63.2-43.1179.8-77.6173.6176.7163.22.9112E152 L240 E242 A248 H256 H563 L600 D605E152-R244 WeakPolarHBondContact OE1-CG 3.22Å; E152-R244 IonicContact OE1-CZ 3.57Å; E152-R244 IonicContact OE1-NE 2.64Å; E152-R244 PolarHBondContact OE1-NE 2.78Å; E152-R244 IonicContact OE1-NH2 3.37Å; E152-R244 PolarHBondContact OE1-NH2 2.89Å; L240-R244 VanDerWaalsContact O-CB 3.25Å; L240-R244 WeakPolarHBondContact O-CB 3.04Å; L240-R244 WeakPolarHBondContact O-CD 3.39Å; L240-R244 WeakPolarHBondContact O-CG 3.49Å; L240-R244 PolarHBondContact O-N 3.25Å; E242-R244 VanDerWaalsContact C-N 3.34Å; E242-R244 PolarHBondContact O-N 3.49Å; R244-A248 WeakPolarHBondContact O-CB 3.46Å; R244-A248 PolarHBondContact O-N 3.33Å; R244-H256 HydrophobicContact CB-CB 3.88Å; R244-H563 PolarHBondContact NH1-NE2 3.48Å; R244-L600 PolarHBondContact NH1-O 3.49Å; R244-L600 PolarHBondContact NH2-O 3.4Å; R244-D605 IonicContact NE-OD2 3.21Å
245R96.1Very high96.7Very high142 Ų14246.4 Ų46.454%0.53625%0.252SS..Hα-helixtrans-63.2-45.8175.7-179.8-179.961-177-4.5111.6M241 E242 A248 S249M241-R245 WeakPolarHBondContact O-CB 3.35Å; M241-R245 PolarHBondContact O-N 3.33Å; M241-R245 VanDerWaalsContact O-N 3.1Å; E242-R245 PolarHBondContact O-N 3.21Å; R245-A248 PolarHBondContact O-N 2.95Å; R245-S249 PolarHBondContact O-N 3.33Å
246E96.3Very high96.7Very high80 Ų8042.8 Ų42.837%0.37423%0.228SC..Hα-helixtrans-62.3-47.9179-172.2176.6169.900111.2L148 E242 L243 A248 S249 I250L148-E246 HydrophobicContact CD1-CB 4.27Å; L148-E246 HydrophobicContact CD1-CG 3.94Å; L148-E246 HydrophobicContact CD2-CG 4.41Å; E242-E246 PolarHBondContact O-N 3.1Å; L243-E246 PolarHBondContact O-N 3.49Å; E246-A248 PolarHBondContact O-N 2.88Å; E246-S249 WeakPolarHBondContact O-CB 3.31Å; E246-S249 PolarHBondContact O-N 3.21Å; E246-I250 HydrophobicContact CG-CD1 4.04Å; E246-I250 WeakPolarHBondContact O-CG1 3.37Å; E246-I250 PolarHBondContact O-N 3.4Å
247R97.2Very high96.7Very high22 Ų2241.6 Ų41.68%0.08322%0.222CC..Hα-helixtrans-57.8-49.3176.6-179.8-179.466.8-157-14.7111.9L148 N149 E152 L243 S249 I250 L251 H256L148-R247 HydrophobicContact CD1-CB 4.2Å; N149-R247 WeakPolarHBondContact OD1-CD 3.44Å; N149-R247 PolarHBondContact OD1-NH1 2.9Å; E152-R247 IonicContact OE1-NH1 2.58Å; E152-R247 IonicContact OE1-NH2 3.56Å; E152-R247 PolarHBondContact OE1-NH2 3.28Å; E152-R247 IonicContact OE2-CZ 2.67Å; E152-R247 IonicContact OE2-NE 2.78Å; E152-R247 IonicContact OE2-NH1 3.29Å; E152-R247 PolarHBondContact OE2-NH1 2.89Å; E152-R247 IonicContact OE2-NH2 2.75Å; E152-R247 PolarHBondContact OE2-NH2 3.16Å; L243-R247 WeakPolarHBondContact O-CB 3.28Å; L243-R247 PolarHBondContact O-N 3.36Å; R247-S249 VanDerWaalsContact C-N 3.28Å; R247-S249 PolarHBondContact O-N 3.49Å; R247-I250 PolarHBondContact O-N 3.03Å; R247-L251 HydrophobicContact CG-CD1 3.78Å; R247-L251 HydrophobicContact CG-CG 4.44Å; R247-L251 WeakPolarHBondContact O-CG 3.35Å; R247-L251 PolarHBondContact O-N 3.36Å; R247-H256 PolarHBondContact NH2-CE1 3.17Å; R247-H256 PolarHBondContact NH2-ND1 3.33Å
248A96.7Very high96.8Very high1 Ų143.1 Ų43.11%0.00823%0.23CC..Hα-helixtrans-57.1-44.1179.400000111.3R244 R245 E246 I250 L251 G252 F253 H256 F259R244-A248 WeakPolarHBondContact O-CB 3.46Å; R244-A248 PolarHBondContact O-N 3.33Å; R245-A248 PolarHBondContact O-N 2.95Å; E246-A248 PolarHBondContact O-N 2.88Å; A248-I250 PolarHBondContact O-N 2.95Å; A248-L251 CarbonylContact O-C 3.5Å; A248-L251 PolarHBondContact O-N 3.23Å; A248-G252 PolarHBondContact O-N 3.33Å; A248-G252 VanDerWaalsContact O-N 3.09Å; A248-F253 CarbonylContact C-O 3.44Å; A248-F253 HydrophobicContact CB-CB 4.25Å; A248-F253 PolarHBondContact O-N 3.14Å; A248-H256 HydrophobicContact CB-CB 4.42Å; A248-F259 HydrophobicContact CB-CB 4.4Å
249S96Very high96.8Very high87 Ų8740 Ų4061%0.60822%0.217SC*.Hα-helixtrans-61.7-43.2177.2-174.50000112.7R245 E246 R247 L251 G252R245-S249 PolarHBondContact O-N 3.33Å; E246-S249 WeakPolarHBondContact O-CB 3.31Å; E246-S249 PolarHBondContact O-N 3.21Å; R247-S249 VanDerWaalsContact C-N 3.28Å; R247-S249 PolarHBondContact O-N 3.49Å; S249-L251 VanDerWaalsContact C-N 3.29Å; S249-L251 PolarHBondContact O-N 3.07Å; S249-G252 PolarHBondContact O-N 2.83Å; S249-G252 VanDerWaalsContact O-N 3.16Å
250I97Very high96.8Very high32 Ų3237.1 Ų37.116%0.16421%0.207CC..Hα-helixtrans-65-37.7178.8-62.6158.6000110.7L137 K141 L144 I145 L148 E246 R247 A248 G252L137-I250 HydrophobicContact CD1-CG2 4.22Å; K141-I250 HydrophobicContact CB-CG2 4.08Å; K141-I250 HydrophobicContact CD-CG2 4.32Å; K141-I250 HydrophobicContact CG-CG2 4.22Å; L144-I250 HydrophobicContact CB-CD1 4.49Å; L144-I250 HydrophobicContact CD2-CD1 3.38Å; L144-I250 HydrophobicContact CD2-CG1 4.23Å; L144-I250 HydrophobicContact CG-CD1 3.65Å; I145-I250 HydrophobicContact CD1-CG2 3.79Å; I145-I250 HydrophobicContact CG1-CB 4.39Å; I145-I250 HydrophobicContact CG1-CG2 3.84Å; L148-I250 HydrophobicContact CD1-CD1 3.59Å; E246-I250 HydrophobicContact CG-CD1 4.04Å; E246-I250 WeakPolarHBondContact O-CG1 3.37Å; E246-I250 PolarHBondContact O-N 3.4Å; R247-I250 PolarHBondContact O-N 3.03Å; A248-I250 PolarHBondContact O-N 2.95Å; I250-G252 PolarHBondContact O-N 2.86Å
251L97Very high96.8Very high15 Ų1537.1 Ų37.18%0.07921%0.207CC..THydrogen-bonded Turntrans-77.2-2.5177.1-69.1172.8000113.7R132 L137 I145 R247 A248 S249 F253 F259R132-L251 VanDerWaalsContact O-CD1 3.22Å; R132-L251 WeakPolarHBondContact O-CD1 3.4Å; R132-L251 WeakPolarHBondContact O-CD2 3.33Å; L137-L251 HydrophobicContact CD1-CD2 4.31Å; I145-L251 HydrophobicContact CD1-CD2 3.65Å; I145-L251 HydrophobicContact CD1-CG 4.17Å; R247-L251 HydrophobicContact CG-CD1 3.78Å; R247-L251 HydrophobicContact CG-CG 4.44Å; R247-L251 WeakPolarHBondContact O-CG 3.35Å; R247-L251 PolarHBondContact O-N 3.36Å; A248-L251 CarbonylContact O-C 3.5Å; A248-L251 PolarHBondContact O-N 3.23Å; S249-L251 VanDerWaalsContact C-N 3.29Å; S249-L251 PolarHBondContact O-N 3.07Å; L251-F253 HydrophobicContact CB-CD2 3.89Å; L251-F253 HydrophobicContact CB-CE2 4.24Å; L251-F259 HydrophobicContact CD1-CD2 4.06Å; L251-F259 HydrophobicContact CD1-CE2 3.59Å; L251-F259 HydrophobicContact CD1-CZ 4.07Å
252G96.2Very high96.8Very high68 Ų6838.3 Ų38.370%0.70121%0.213SC*.THydrogen-bonded Turntrans83.518.7176.300000115.1A248 S249 I250A248-G252 PolarHBondContact O-N 3.33Å; A248-G252 VanDerWaalsContact O-N 3.09Å; S249-G252 PolarHBondContact O-N 2.83Å; S249-G252 VanDerWaalsContact O-N 3.16Å; I250-G252 PolarHBondContact O-N 2.86Å
253F96.5Very high96.8Very high49 Ų4935 Ų3522%0.21520%0.198CC..  trans-96.9142.8174.4-69-94.8000111A248 L251 T255 D258 F259 D262A248-F253 CarbonylContact C-O 3.44Å; A248-F253 HydrophobicContact CB-CB 4.25Å; A248-F253 PolarHBondContact O-N 3.14Å; L251-F253 HydrophobicContact CB-CD2 3.89Å; L251-F253 HydrophobicContact CB-CE2 4.24Å; F253-T255 VanDerWaalsContact C-N 3.3Å; F253-T255 PolarHBondContact O-N 2.98Å; F253-D258 HydrophobicContact CD1-CB 4.44Å; F253-F259 HydrophobicContact CB-CB 3.99Å; F253-F259 VanDerWaalsContact CD1-CA 3.48Å; F253-F259 HydrophobicContact CD1-CB 4.06Å; F253-F259 HydrophobicContact CD2-CB 4.09Å; F253-F259 AromaticContact CD2-CD2 3.74Å; F253-F259 HydrophobicContact CD2-CD2 3.74Å; F253-F259 HydrophobicContact CD2-CG 4.39Å; F253-F259 AromaticContact CE2-CD2 3.65Å; F253-F259 HydrophobicContact CE2-CD2 3.65Å; F253-F259 HydrophobicContact CE2-CE2 4.39Å; F253-F259 HydrophobicContact CG-CB 3.77Å; F253-F259 HydrophobicContact CG-CD2 4.27Å; F253-F259 HydrophobicContact CZ-CD2 4.08Å; F253-D262 HydrophobicContact CE1-CB 4.06Å; F253-D262 WeakPolarHBondContact CZ-OD2 3.34Å
254P95.4Very high96.7Very high110 Ų11036.6 Ų36.671%0.71420%0.204SC*.SBendtrans-62-37.6178-22.333000113.1
255T97.4Very high96.7Very high14 Ų1437.1 Ų37.19%0.08621%0.207CC..SBendtrans-143.9164.5-177.871.70000111.3F253 A257 D258 F259 H563 T564 T565F253-T255 VanDerWaalsContact C-N 3.3Å; F253-T255 PolarHBondContact O-N 2.98Å; T255-A257 VanDerWaalsContact C-N 3.28Å; T255-A257 PolarHBondContact O-N 3.38Å; T255-A257 PolarHBondContact OG1-N 3.28Å; T255-D258 PolarHBondContact O-N 3.42Å; T255-D258 VanDerWaalsContact OG1-CG 3.32Å; T255-D258 PolarHBondContact OG1-N 3.04Å; T255-D258 PolarHBondContact OG1-OD2 3.43Å; T255-F259 PolarHBondContact O-N 3.41Å; T255-F259 VanDerWaalsContact O-N 3.1Å; T255-H563 WeakPolarHBondContact CB-O 3.08Å; T255-T564 HydrophobicContact CG2-CG2 4.29Å; T255-T565 HydrophobicContact CG2-CG2 4.43Å
256H97.7Very high96.8Very high3 Ų330.4 Ų30.41%0.01418%0.181CC..Hα-helixtrans-64.2-35.8171.4179.471.7000111.4R244 R247 A248 D258 F259 M260 H563 D605R244-H256 HydrophobicContact CB-CB 3.88Å; R247-H256 PolarHBondContact NH2-CE1 3.17Å; R247-H256 PolarHBondContact NH2-ND1 3.33Å; A248-H256 HydrophobicContact CB-CB 4.42Å; H256-D258 PolarHBondContact O-N 3.26Å; H256-F259 AromaticContact ND1-CD1 3.93Å; H256-F259 WeakPolarHBondContact O-CB 3.46Å; H256-F259 PolarHBondContact O-N 3.01Å; H256-M260 VanDerWaalsContact NE2-CG 3.32Å; H256-M260 WeakPolarHBondContact NE2-CG 3.45Å; H256-M260 WeakPolarHBondContact O-CG 3.41Å; H256-M260 PolarHBondContact O-N 2.93Å; H256-H563 HydrophobicContact CB-CB 4.38Å; H256-H563 AromaticContact CD2-CD2 3.38Å; H256-H563 PolarHBondContact CD2-CD2 2.82Å; H256-H563 AromaticContact CD2-CG 3.77Å; H256-H563 PolarHBondContact N-O 2.61Å; H256-D605 IonicContact CD2-OD2 2.8Å; H256-D605 IonicContact CE1-OD2 3.4Å; H256-D605 PolarHBondContact CE1-OD2 3.02Å; H256-D605 IonicContact NE2-OD2 2.73Å; H256-D605 PolarHBondContact NE2-OD2 3.08Å
257A98.1Very high96.8Very high0 Ų030.6 Ų30.60%018%0.181CC..Hα-helixtrans-60.1-46.617400000112T255 F259 M260 L261 A269 H563 T564 A606T255-A257 VanDerWaalsContact C-N 3.28Å; T255-A257 PolarHBondContact O-N 3.38Å; T255-A257 PolarHBondContact OG1-N 3.28Å; A257-F259 VanDerWaalsContact C-N 3.27Å; A257-F259 PolarHBondContact O-N 2.88Å; A257-M260 PolarHBondContact O-N 3.19Å; A257-L261 HydrophobicContact CB-CD1 4.26Å; A257-L261 VanDerWaalsContact O-CB 3.3Å; A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 WeakPolarHBondContact O-CD1 3.47Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 3.1Å; A257-A269 HydrophobicContact CB-CB 3.97Å; A257-H563 HydrophobicContact CB-CB 4.25Å; A257-H563 PolarHBondContact N-O 2.55Å; A257-T564 HydrophobicContact CB-CG2 3.55Å; A257-A606 HydrophobicContact CB-CB 3.94Å
258D97.7Very high96.8Very high31 Ų3131.9 Ų31.917%0.16619%0.191CC..Hα-helixtrans-62.8-35.4176.4-63.3-59.1000112.2F253 T255 H256 L261 D262 A269F253-D258 HydrophobicContact CD1-CB 4.44Å; T255-D258 PolarHBondContact O-N 3.42Å; T255-D258 VanDerWaalsContact OG1-CG 3.32Å; T255-D258 PolarHBondContact OG1-N 3.04Å; T255-D258 PolarHBondContact OG1-OD2 3.43Å; H256-D258 PolarHBondContact O-N 3.26Å; D258-L261 PolarHBondContact O-N 3.3Å; D258-D262 PolarHBondContact O-N 2.83Å; D258-A269 PolarHBondContact OD1-N 3.4Å; D258-A269 VanDerWaalsContact OD1-N 3.09Å
259F97.2Very high96.8Very high15 Ų1532.5 Ų32.57%0.06620%0.196CC..Hα-helixtrans-62.7-39.7170.9169.9-104.6000112.3R132 A248 L251 F253 T255 H256 A257R132-F259 HydrophobicContact CB-CE2 3.97Å; R132-F259 HydrophobicContact CB-CZ 4.46Å; R132-F259 HydrophobicContact CG-CE2 4.13Å; R132-F259 VanDerWaalsContact CZ-CE2 3.41Å; R132-F259 VanDerWaalsContact CZ-O 3.25Å; R132-F259 PolarHBondContact NH1-O 3.35Å; R132-F259 PolarHBondContact NH2-O 2.97Å; A248-F259 HydrophobicContact CB-CB 4.4Å; L251-F259 HydrophobicContact CD1-CD2 4.06Å; L251-F259 HydrophobicContact CD1-CE2 3.59Å; L251-F259 HydrophobicContact CD1-CZ 4.07Å; F253-F259 HydrophobicContact CB-CB 3.99Å; F253-F259 VanDerWaalsContact CD1-CA 3.48Å; F253-F259 HydrophobicContact CD1-CB 4.06Å; F253-F259 HydrophobicContact CD2-CB 4.09Å; F253-F259 AromaticContact CD2-CD2 3.74Å; F253-F259 HydrophobicContact CD2-CD2 3.74Å; F253-F259 HydrophobicContact CD2-CG 4.39Å; F253-F259 AromaticContact CE2-CD2 3.65Å; F253-F259 HydrophobicContact CE2-CD2 3.65Å; F253-F259 HydrophobicContact CE2-CE2 4.39Å; F253-F259 HydrophobicContact CG-CB 3.77Å; F253-F259 HydrophobicContact CG-CD2 4.27Å; F253-F259 HydrophobicContact CZ-CD2 4.08Å; T255-F259 PolarHBondContact O-N 3.41Å; T255-F259 VanDerWaalsContact O-N 3.1Å; H256-F259 AromaticContact ND1-CD1 3.93Å; H256-F259 WeakPolarHBondContact O-CB 3.46Å; H256-F259 PolarHBondContact O-N 3.01Å; A257-F259 VanDerWaalsContact C-N 3.27Å; A257-F259 PolarHBondContact O-N 2.88Å
260M96.9Very high96.9Very high17 Ų1731.6 Ų31.68%0.08419%0.194CC..Hα-helixtrans-77.6-27.1-179.9-64.7-51.5-72.800113.3H256 A257 R264 A606 R607H256-M260 VanDerWaalsContact NE2-CG 3.32Å; H256-M260 WeakPolarHBondContact NE2-CG 3.45Å; H256-M260 WeakPolarHBondContact O-CG 3.41Å; H256-M260 PolarHBondContact O-N 2.93Å; A257-M260 PolarHBondContact O-N 3.19Å; M260-R264 WeakPolarHBondContact O-CG 3.16Å; M260-A606 HydrophobicContact CB-CB 4.04Å; M260-A606 HydrophobicContact CG-CB 4.15Å; M260-R607 VanDerWaalsContact CE-NE 3.29Å
261L97.6Very high96.9Very high0 Ų033.7 Ų33.70%021%0.206CC..Hα-helixtrans-91-18.4-171.3-65169.8000114.6A257 D258 L263 R264 A266 K267 T268 A269 V272 Y609A257-L261 HydrophobicContact CB-CD1 4.26Å; A257-L261 VanDerWaalsContact O-CB 3.3Å; A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 WeakPolarHBondContact O-CD1 3.47Å; A257-L261 WeakPolarHBondContact O-CG 3.24Å; A257-L261 PolarHBondContact O-N 3.1Å; D258-L261 PolarHBondContact O-N 3.3Å; L261-L263 PolarHBondContact O-N 3.03Å; L261-L263 VanDerWaalsContact O-N 3.13Å; L261-R264 WeakPolarHBondContact O-CB 3.24Å; L261-R264 PolarHBondContact O-N 2.97Å; L261-A266 HydrophobicContact CD2-CB 4.49Å; L261-K267 CarbonylContact C-O 3.33Å; L261-K267 CarbonylContact O-C 3.24Å; L261-K267 WeakPolarHBondContact O-CA 3.46Å; L261-K267 PolarHBondContact O-N 2.96Å; L261-T268 VanDerWaalsContact CD1-C 3.42Å; L261-A269 HydrophobicContact CD1-CB 4.13Å; L261-A269 VanDerWaalsContact CD1-N 3.35Å; L261-V272 HydrophobicContact CD1-CG2 3.77Å; L261-V272 HydrophobicContact CD2-CG2 3.93Å; L261-Y609 HydrophobicContact CD2-CD1 4.39Å; L261-Y609 HydrophobicContact CD2-CE1 3.32Å; L261-Y609 WeakPolarHBondContact CD2-OH 3.4Å
262D95.7Very high97Very high34 Ų3433 Ų3318%0.18220%0.202CC..THydrogen-bonded Turntrans-56.2-33.5-177.574.7-20.1000113.8R132 F253 D258R132-D262 IonicContact CZ-OD1 2.82Å; R132-D262 IonicContact NH1-OD1 2.75Å; R132-D262 PolarHBondContact NH1-OD1 3.4Å; R132-D262 IonicContact NH1-OD2 3.24Å; R132-D262 PolarHBondContact NH1-OD2 3.34Å; F253-D262 HydrophobicContact CE1-CB 4.06Å; F253-D262 WeakPolarHBondContact CZ-OD2 3.34Å; D258-D262 PolarHBondContact O-N 2.83Å
263L94.7Very high97Very high12 Ų1233.7 Ų33.76%0.06319%0.19CC..THydrogen-bonded Turntrans-94.913.8178.5-70.4-170.4000113Q128 L129 L261 E497Q128-L263 HydrophobicContact CG-CD2 4.14Å; L129-L263 HydrophobicContact CD2-CD1 4.08Å; L261-L263 PolarHBondContact O-N 3.03Å; L261-L263 VanDerWaalsContact O-N 3.13Å; L263-E497 WeakPolarHBondContact O-CG 3.45Å
264R96.6Very high97.1Very high34 Ų3438.9 Ų38.913%0.12821%0.212CC..SBendtrans-111.9170.4-179.4-62.1-60.7174.7-86.21.3110.5M260 L261 A266 K267 T498 D499M260-R264 WeakPolarHBondContact O-CG 3.16Å; L261-R264 WeakPolarHBondContact O-CB 3.24Å; L261-R264 PolarHBondContact O-N 2.97Å; R264-A266 VanDerWaalsContact C-N 3.33Å; R264-K267 VanDerWaalsContact O-CD 3.24Å; R264-K267 WeakPolarHBondContact O-CD 3.48Å; R264-K267 WeakPolarHBondContact O-CE 3.4Å; R264-K267 PolarHBondContact O-NZ 3.24Å; R264-T498 VanDerWaalsContact CZ-OG1 3.26Å; R264-T498 VanDerWaalsContact NE-CB 3.29Å; R264-T498 PolarHBondContact NE-OG1 3.44Å; R264-T498 PolarHBondContact NH2-OG1 3.4Å; R264-D499 WeakPolarHBondContact CA-OD1 3.5Å; R264-D499 WeakPolarHBondContact CB-OD1 3.33Å; R264-D499 WeakPolarHBondContact CB-OD2 3.16Å; R264-D499 WeakPolarHBondContact CD-OD1 3.45Å
265M97.5Very high97.2Very high14 Ų1434.7 Ų34.77%0.06918%0.183CC..SBendtrans-65.9-38.7172.2-62.9179.867.600111.4K267 E497 D499 F500 W613 F617 A656 T657 L660M265-K267 VanDerWaalsContact C-N 3.25Å; M265-K267 PolarHBondContact O-N 3.04Å; M265-E497 HydrophobicContact CG-CB 4.44Å; M265-D499 VanDerWaalsContact CA-OD2 3.28Å; M265-D499 WeakPolarHBondContact CA-OD2 3.44Å; M265-D499 WeakPolarHBondContact CB-OD2 3.22Å; M265-D499 PolarHBondContact N-OD1 3.17Å; M265-D499 PolarHBondContact N-OD2 3.32Å; M265-F500 HydrophobicContact CG-CB 4.43Å; M265-F500 HydrophobicContact SD-CB 3.73Å; M265-F500 HydrophobicContact SD-CD2 3.84Å; M265-F500 HydrophobicContact SD-CG 4.16Å; M265-W613 HydrophobicContact CB-CZ2 4.12Å; M265-F617 HydrophobicContact CE-CD2 3.92Å; M265-F617 HydrophobicContact CE-CE2 3.76Å; M265-A656 HydrophobicContact CE-CB 4.22Å; M265-A656 HydrophobicContact CG-CB 3.69Å; M265-A656 HydrophobicContact SD-CB 3.53Å; M265-A656 VanDerWaalsContact SD-CB 3.53Å; M265-T657 WeakPolarHBondContact CE-OG1 3.23Å; M265-L660 HydrophobicContact CE-CD1 3.41Å; M265-L660 VanDerWaalsContact CE-CD1 3.41Å; M265-L660 HydrophobicContact SD-CD1 4.45Å
266A97.6Very high97.2Very high0 Ų034 Ų340%018%0.179CC..SBendtrans-67.7-23.4-177.900000113.7L261 R264 T268 N271 V272 D499 Y609 W613L261-A266 HydrophobicContact CD2-CB 4.49Å; R264-A266 VanDerWaalsContact C-N 3.33Å; A266-T268 PolarHBondContact O-N 3.47Å; A266-N271 WeakPolarHBondContact O-CB 3.17Å; A266-N271 PolarHBondContact O-ND2 3.03Å; A266-V272 HydrophobicContact CB-CG2 3.63Å; A266-D499 PolarHBondContact N-OD2 3.25Å; A266-Y609 HydrophobicContact CB-CE2 3.71Å; A266-Y609 WeakPolarHBondContact CB-OH 3.42Å; A266-W613 HydrophobicContact CB-CE3 4.3Å; A266-W613 HydrophobicContact CB-CH2 3.74Å; A266-W613 HydrophobicContact CB-CZ2 4.06Å; A266-W613 HydrophobicContact CB-CZ3 3.86Å
267K96.6Very high97.2Very high84 Ų8435.9 Ų35.937%0.36519%0.189SC..  trans64.1-40.9178.1-57.1-62.5175.1-157.50117.2L261 R264 M265L261-K267 CarbonylContact C-O 3.33Å; L261-K267 CarbonylContact O-C 3.24Å; L261-K267 WeakPolarHBondContact O-CA 3.46Å; L261-K267 PolarHBondContact O-N 2.96Å; R264-K267 VanDerWaalsContact O-CD 3.24Å; R264-K267 WeakPolarHBondContact O-CD 3.48Å; R264-K267 WeakPolarHBondContact O-CE 3.4Å; R264-K267 PolarHBondContact O-NZ 3.24Å; M265-K267 VanDerWaalsContact C-N 3.25Å; M265-K267 PolarHBondContact O-N 3.04Å
268T97Very high97.2Very high50 Ų5038.6 Ų38.631%0.30720%0.203SC..SBendtrans-143.2153.6-170.867.70000112L261 A266 A270 N271 V272L261-T268 VanDerWaalsContact CD1-C 3.42Å; A266-T268 PolarHBondContact O-N 3.47Å; T268-A270 PolarHBondContact O-N 2.85Å; T268-N271 PolarHBondContact O-N 3.18Å; T268-N271 PolarHBondContact OG1-N 3.39Å; T268-N271 PolarHBondContact OG1-ND2 3.01Å; T268-V272 PolarHBondContact O-N 3.38Å
269A97.3Very high97.1Very high14 Ų1437.1 Ų37.112%0.11620%0.195CC..Hα-helixtrans-62-32.4176.800000112.1A257 D258 L261 N271 V272 D273 T564A257-A269 HydrophobicContact CB-CB 3.97Å; D258-A269 PolarHBondContact OD1-N 3.4Å; D258-A269 VanDerWaalsContact OD1-N 3.09Å; L261-A269 HydrophobicContact CD1-CB 4.13Å; L261-A269 VanDerWaalsContact CD1-N 3.35Å; A269-N271 PolarHBondContact O-N 3.39Å; A269-V272 PolarHBondContact O-N 3.4Å; A269-D273 PolarHBondContact O-N 3.25Å; A269-T564 HydrophobicContact CB-CG2 3.8Å
270A96.9Very high97.1Very high68 Ų6836.6 Ų36.656%0.56219%0.194SC*.Hα-helixtrans-63.9-37.5176.900000112.9T268 K274T268-A270 PolarHBondContact O-N 2.85Å; A270-K274 WeakPolarHBondContact O-CB 3.28Å; A270-K274 PolarHBondContact O-N 3.17Å
271N97.6Very high97Very high75 Ų7540.8 Ų40.840%0.40122%0.221SC..Hα-helixtrans-68.8-39175.7-73.8-20.5000111.6A266 T268 A269 K274 F275A266-N271 WeakPolarHBondContact O-CB 3.17Å; A266-N271 PolarHBondContact O-ND2 3.03Å; T268-N271 PolarHBondContact O-N 3.18Å; T268-N271 PolarHBondContact OG1-N 3.39Å; T268-N271 PolarHBondContact OG1-ND2 3.01Å; A269-N271 PolarHBondContact O-N 3.39Å; N271-K274 PolarHBondContact O-N 3.14Å; N271-F275 WeakPolarHBondContact O-CB 3.44Å; N271-F275 PolarHBondContact O-N 2.85Å
272V98.1Very high96.9Very high0 Ų042.8 Ų42.80%023%0.229CC..Hα-helixtrans-64.3-45.8175.1179.90000110.6L261 A266 T268 A269 K274 F275 L276 Q560 Y609L261-V272 HydrophobicContact CD1-CG2 3.77Å; L261-V272 HydrophobicContact CD2-CG2 3.93Å; A266-V272 HydrophobicContact CB-CG2 3.63Å; T268-V272 PolarHBondContact O-N 3.38Å; A269-V272 PolarHBondContact O-N 3.4Å; V272-K274 PolarHBondContact O-N 3.27Å; V272-F275 WeakPolarHBondContact O-CB 3.21Å; V272-F275 PolarHBondContact O-N 3.4Å; V272-L276 HydrophobicContact CG1-CD1 3.92Å; V272-L276 HydrophobicContact CG1-CG 4.19Å; V272-L276 WeakPolarHBondContact O-CG 3.2Å; V272-L276 PolarHBondContact O-N 3.01Å; V272-Q560 HydrophobicContact CG1-CG 3.71Å; V272-Y609 HydrophobicContact CB-CD2 4.47Å; V272-Y609 HydrophobicContact CB-CG 4.44Å; V272-Y609 HydrophobicContact CG1-CD1 3.86Å; V272-Y609 HydrophobicContact CG1-CD2 3.81Å; V272-Y609 HydrophobicContact CG1-CE2 4.49Å; V272-Y609 HydrophobicContact CG1-CG 3.46Å; V272-Y609 VanDerWaalsContact CG1-CG 3.46Å; V272-Y609 HydrophobicContact CG2-CD1 4.05Å; V272-Y609 HydrophobicContact CG2-CD2 3.93Å; V272-Y609 HydrophobicContact CG2-CE1 3.9Å; V272-Y609 HydrophobicContact CG2-CE2 3.75Å; V272-Y609 HydrophobicContact CG2-CG 4.08Å
273D97.3Very high96.8Very high84 Ų8441.2 Ų41.245%0.44922%0.221SC..Hα-helixtrans-60.7-45.4176.7-178.567.9000111.6A269 F275 L276 N277A269-D273 PolarHBondContact O-N 3.25Å; D273-F275 VanDerWaalsContact C-N 3.31Å; D273-F275 PolarHBondContact O-N 3.04Å; D273-L276 PolarHBondContact O-N 3.21Å; D273-N277 WeakPolarHBondContact O-CB 3.38Å; D273-N277 PolarHBondContact O-N 3.38Å; D273-N277 PolarHBondContact O-ND2 3.43Å; D273-N277 PolarHBondContact OD1-ND2 2.86Å; D273-N277 PolarHBondContact OD2-ND2 3.4Å
274K97.9Very high96.8Very high157 Ų15744.5 Ų44.568%0.68324%0.235SC*.Hα-helixtrans-58.7-43.8174.8-176.2-179177.5-175.50111.7A270 N271 V272 N278A270-K274 WeakPolarHBondContact O-CB 3.28Å; A270-K274 PolarHBondContact O-N 3.17Å; N271-K274 PolarHBondContact O-N 3.14Å; V272-K274 PolarHBondContact O-N 3.27Å; K274-N278 VanDerWaalsContact O-CB 3.24Å; K274-N278 WeakPolarHBondContact O-CB 3.22Å; K274-N278 PolarHBondContact O-N 3.27Å
275F98.2Very high96.7Very high22 Ų2248.8 Ų48.810%0.09626%0.256CS..Hα-helixtrans-61-54177.4168.4-102000111.6N271 V272 D273 N277 N278 V279 L612 W613 V616N271-F275 WeakPolarHBondContact O-CB 3.44Å; N271-F275 PolarHBondContact O-N 2.85Å; V272-F275 WeakPolarHBondContact O-CB 3.21Å; V272-F275 PolarHBondContact O-N 3.4Å; D273-F275 VanDerWaalsContact C-N 3.31Å; D273-F275 PolarHBondContact O-N 3.04Å; F275-N277 VanDerWaalsContact C-N 3.34Å; F275-N277 PolarHBondContact O-N 3.18Å; F275-N278 PolarHBondContact O-N 3.22Å; F275-V279 HydrophobicContact CD2-CG2 4.12Å; F275-V279 HydrophobicContact CE1-CG2 4.5Å; F275-V279 HydrophobicContact CE2-CG2 3.75Å; F275-V279 HydrophobicContact CZ-CG2 3.95Å; F275-V279 WeakPolarHBondContact O-CG2 3.42Å; F275-V279 PolarHBondContact O-N 3.31Å; F275-L612 HydrophobicContact CE1-CB 4.28Å; F275-L612 HydrophobicContact CE1-CD2 4.18Å; F275-L612 HydrophobicContact CE1-CG 3.96Å; F275-L612 HydrophobicContact CZ-CB 4.47Å; F275-L612 HydrophobicContact CZ-CD2 4.44Å; F275-L612 HydrophobicContact CZ-CG 3.9Å; F275-W613 HydrophobicContact CB-CE3 4.09Å; F275-W613 HydrophobicContact CB-CZ3 3.83Å; F275-W613 AromaticContact CD1-CE3 3.82Å; F275-W613 HydrophobicContact CD1-CE3 3.82Å; F275-W613 HydrophobicContact CD1-CZ3 4.43Å; F275-W613 AromaticContact CD2-CE3 3.91Å; F275-W613 HydrophobicContact CD2-CE3 3.91Å; F275-W613 HydrophobicContact CD2-CZ3 4.15Å; F275-W613 HydrophobicContact CE1-CB 4.18Å; F275-W613 HydrophobicContact CE1-CE3 4.2Å; F275-W613 HydrophobicContact CE2-CE3 4.28Å; F275-W613 AromaticContact CG-CE3 3.66Å; F275-W613 HydrophobicContact CG-CE3 3.66Å; F275-W613 AromaticContact CG-CZ3 3.89Å; F275-W613 HydrophobicContact CG-CZ3 3.89Å; F275-W613 HydrophobicContact CZ-CB 4.22Å; F275-W613 HydrophobicContact CZ-CE3 4.42Å; F275-V616 HydrophobicContact CE2-CB 4.23Å; F275-V616 HydrophobicContact CE2-CG1 4.38Å; F275-V616 HydrophobicContact CE2-CG2 3.9Å; F275-V616 HydrophobicContact CZ-CB 4.41Å; F275-V616 HydrophobicContact CZ-CG2 3.87Å
276L98Very high96.6Very high1 Ų149.1 Ų49.11%0.00526%0.261CS..Hα-helixtrans-60.8-41.9-178.6-67.8177.5000111.9V272 D273 G280 I553 A556 Q560 L612V272-L276 HydrophobicContact CG1-CD1 3.92Å; V272-L276 HydrophobicContact CG1-CG 4.19Å; V272-L276 WeakPolarHBondContact O-CG 3.2Å; V272-L276 PolarHBondContact O-N 3.01Å; D273-L276 PolarHBondContact O-N 3.21Å; L276-G280 PolarHBondContact O-N 2.55Å; L276-I553 HydrophobicContact CB-CG2 4.36Å; L276-I553 HydrophobicContact CD2-CG1 4.49Å; L276-A556 HydrophobicContact CD1-CB 3.82Å; L276-A556 HydrophobicContact CD2-CB 3.75Å; L276-A556 HydrophobicContact CG-CB 4.46Å; L276-Q560 HydrophobicContact CD1-CG 4.42Å; L276-L612 HydrophobicContact CD2-CD2 4.33Å
277N97.5Very high96.5Very high41 Ų4149.4 Ų49.422%0.21926%0.263CS..Hα-helixtrans-69.3-38.3177.2-71.8-75.2000112.9D273 F275 T281 K581 W582D273-N277 WeakPolarHBondContact O-CB 3.38Å; D273-N277 PolarHBondContact O-N 3.38Å; D273-N277 PolarHBondContact O-ND2 3.43Å; D273-N277 PolarHBondContact OD1-ND2 2.86Å; D273-N277 PolarHBondContact OD2-ND2 3.4Å; F275-N277 VanDerWaalsContact C-N 3.34Å; F275-N277 PolarHBondContact O-N 3.18Å; N277-T281 VanDerWaalsContact O-CB 3.27Å; N277-T281 WeakPolarHBondContact O-CB 3.36Å; N277-T281 PolarHBondContact O-N 2.71Å; N277-T281 PolarHBondContact O-OG1 2.76Å; N277-K581 PolarHBondContact OD1-NZ 2.88Å; N277-W582 WeakPolarHBondContact OD1-CH2 3.49Å
278N96.6Very high96.4Very high58 Ų5849.1 Ų49.131%0.3127%0.268SS..Hα-helixtrans-62.1-49174.9172.965.3000111.1K274 F275 T281 K282 D670K274-N278 VanDerWaalsContact O-CB 3.24Å; K274-N278 WeakPolarHBondContact O-CB 3.22Å; K274-N278 PolarHBondContact O-N 3.27Å; F275-N278 PolarHBondContact O-N 3.22Å; N278-T281 PolarHBondContact O-N 2.82Å; N278-K282 PolarHBondContact O-N 3.24Å; N278-K282 VanDerWaalsContact O-N 3.16Å; N278-K282 WeakPolarHBondContact OD1-CE 3.41Å; N278-D670 PolarHBondContact ND2-OD2 2.84Å
279V96.4Very high96.3Very high0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-64.5-46.6179.4-178.20000111.1F275 T281 K282 L283 I553 L612 F673 F674F275-V279 HydrophobicContact CD2-CG2 4.12Å; F275-V279 HydrophobicContact CE1-CG2 4.5Å; F275-V279 HydrophobicContact CE2-CG2 3.75Å; F275-V279 HydrophobicContact CZ-CG2 3.95Å; F275-V279 WeakPolarHBondContact O-CG2 3.42Å; F275-V279 PolarHBondContact O-N 3.31Å; V279-T281 VanDerWaalsContact C-N 3.31Å; V279-T281 PolarHBondContact O-N 2.91Å; V279-K282 PolarHBondContact O-N 3.36Å; V279-L283 HydrophobicContact CG1-CD1 3.75Å; V279-L283 HydrophobicContact CG1-CG 4.22Å; V279-L283 WeakPolarHBondContact O-CG 3.39Å; V279-L283 PolarHBondContact O-N 3.08Å; V279-I553 HydrophobicContact CB-CD1 4.32Å; V279-I553 HydrophobicContact CG1-CD1 4.03Å; V279-L612 HydrophobicContact CG1-CD2 4.17Å; V279-F673 HydrophobicContact CG1-CE1 4.15Å; V279-F674 HydrophobicContact CB-CZ 4.3Å; V279-F674 HydrophobicContact CG1-CE1 4.38Å; V279-F674 HydrophobicContact CG1-CZ 4.04Å; V279-F674 HydrophobicContact CG2-CZ 4.23Å
280G96.3Very high96.3Very high3 Ų353.9 Ų53.93%0.03128%0.282CS..Hα-helixtrans-63-35.6179.300000113.6L276 K284L276-G280 PolarHBondContact O-N 2.55Å; G280-K284 PolarHBondContact O-N 2.65Å
281T95.7Very high96.3Very high105 Ų10551.8 Ų51.864%0.64426%0.263SS*.Hα-helixtrans-64.9-47.7175.9-60.30000111.1N277 N278 V279 L283 K284N277-T281 VanDerWaalsContact O-CB 3.27Å; N277-T281 WeakPolarHBondContact O-CB 3.36Å; N277-T281 PolarHBondContact O-N 2.71Å; N277-T281 PolarHBondContact O-OG1 2.76Å; N278-T281 PolarHBondContact O-N 2.82Å; V279-T281 VanDerWaalsContact C-N 3.31Å; V279-T281 PolarHBondContact O-N 2.91Å; T281-L283 VanDerWaalsContact C-N 3.31Å; T281-L283 PolarHBondContact O-N 3.16Å; T281-K284 WeakPolarHBondContact O-CB 3.49Å; T281-K284 PolarHBondContact O-N 2.96Å
282K95.4Very high96.2Very high43 Ų4351 Ų5119%0.18727%0.267CS..Hα-helixtrans-64.9-34.9179.7-71176.3176.6-177.40112.1N278 V279 K284 D670 F674 V679N278-K282 PolarHBondContact O-N 3.24Å; N278-K282 VanDerWaalsContact O-N 3.16Å; N278-K282 WeakPolarHBondContact OD1-CE 3.41Å; V279-K282 PolarHBondContact O-N 3.36Å; K282-K284 VanDerWaalsContact C-N 3.35Å; K282-D670 VanDerWaalsContact NZ-CG 3.31Å; K282-D670 IonicContact NZ-OD1 3.99Å; K282-D670 PolarHBondContact NZ-OD1 3.43Å; K282-D670 VanDerWaalsContact NZ-OD1 3.13Å; K282-D670 IonicContact NZ-OD2 2.9Å; K282-D670 PolarHBondContact NZ-OD2 2.83Å; K282-F674 HydrophobicContact CB-CD1 3.94Å; K282-F674 HydrophobicContact CB-CE1 3.41Å; K282-F674 VanDerWaalsContact CB-CE1 3.41Å; K282-F674 HydrophobicContact CB-CE2 4.37Å; K282-F674 HydrophobicContact CB-CZ 3.69Å; K282-F674 HydrophobicContact CD-CD1 4.22Å; K282-F674 HydrophobicContact CD-CD2 3.63Å; K282-F674 HydrophobicContact CD-CE1 3.88Å; K282-F674 HydrophobicContact CD-CE2 3.23Å; K282-F674 HydrophobicContact CD-CG 4.13Å; K282-F674 HydrophobicContact CD-CZ 3.39Å; K282-F674 HydrophobicContact CG-CE1 4.29Å; K282-F674 HydrophobicContact CG-CE2 4.42Å; K282-F674 HydrophobicContact CG-CZ 4.16Å; K282-V679 WeakPolarHBondContact O-CG1 3.36Å
283L94.7Very high96.2Very high1 Ų154.4 Ų54.41%0.00528%0.279CS..Hα-helixtrans-80.1-10.5178.8-66.9-179.6000114.8V279 T281 E285 A286 E287 Y549 I553 F674 L677 V679V279-L283 HydrophobicContact CG1-CD1 3.75Å; V279-L283 HydrophobicContact CG1-CG 4.22Å; V279-L283 WeakPolarHBondContact O-CG 3.39Å; V279-L283 PolarHBondContact O-N 3.08Å; T281-L283 VanDerWaalsContact C-N 3.31Å; T281-L283 PolarHBondContact O-N 3.16Å; L283-E285 VanDerWaalsContact C-N 3.31Å; L283-E285 PolarHBondContact O-N 3Å; L283-A286 PolarHBondContact O-N 2.6Å; L283-A286 VanDerWaalsContact O-N 3.1Å; L283-E287 PolarHBondContact O-N 3.5Å; L283-Y549 HydrophobicContact CD1-CD2 4.21Å; L283-Y549 HydrophobicContact CD1-CG 4.09Å; L283-I553 HydrophobicContact CD1-CD1 4.28Å; L283-F674 HydrophobicContact CD2-CD1 4.39Å; L283-F674 HydrophobicContact CD2-CE1 4.04Å; L283-F674 HydrophobicContact CG-CE1 4.13Å; L283-L677 HydrophobicContact CD2-CD1 3.73Å; L283-V679 HydrophobicContact CD2-CG2 4.09Å
284K94.5Very high96.2Very high81 Ų8150.4 Ų50.435%0.35226%0.258SS..Hα-helixtrans-60.4-39-170-173.156.7177173.60113.2G280 T281 K282 E287 V288G280-K284 PolarHBondContact O-N 2.65Å; T281-K284 WeakPolarHBondContact O-CB 3.49Å; T281-K284 PolarHBondContact O-N 2.96Å; K282-K284 VanDerWaalsContact C-N 3.35Å; K284-E287 WeakPolarHBondContact CD-OE2 3.42Å; K284-E287 WeakPolarHBondContact CE-OE2 3.34Å; K284-E287 IonicContact NZ-OE2 2.73Å; K284-E287 PolarHBondContact NZ-OE2 3.49Å; K284-E287 PolarHBondContact O-N 3.3Å; K284-V288 HydrophobicContact CD-CG2 4.27Å; K284-V288 WeakPolarHBondContact O-CG2 3.49Å; K284-V288 PolarHBondContact O-N 3.15Å
285E94.3Very high96.2Very high123 Ų12344.8 Ų44.858%0.57524%0.235SC*.Hα-helixtrans-64.8-41.6178-172.5-176.3162.600111.8L283 K289L283-E285 VanDerWaalsContact C-N 3.31Å; L283-E285 PolarHBondContact O-N 3Å; E285-K289 HydrophobicContact CG-CD 4.42Å; E285-K289 WeakPolarHBondContact O-CG 3.07Å; E285-K289 PolarHBondContact O-N 3.41Å; E285-K289 VanDerWaalsContact O-N 3.1Å; E285-K289 WeakPolarHBondContact OE1-CE 3.3Å; E285-K289 IonicContact OE1-NZ 2.62Å; E285-K289 PolarHBondContact OE1-NZ 3.34Å
286A94.2Very high96.2Very high22 Ų2249 Ų4918%0.18226%0.255CS..Hα-helixtrans-64.1-47.3176.900000110.9L283 V288 K289 E290 V679L283-A286 PolarHBondContact O-N 2.6Å; L283-A286 VanDerWaalsContact O-N 3.1Å; A286-V288 PolarHBondContact O-N 2.7Å; A286-K289 PolarHBondContact O-N 3.5Å; A286-E290 WeakPolarHBondContact O-CB 3.49Å; A286-E290 WeakPolarHBondContact O-CG 3.42Å; A286-E290 PolarHBondContact O-N 3.12Å; A286-V679 HydrophobicContact CB-CG2 4.28Å
287E95.3Very high96.2Very high6 Ų648.9 Ų48.93%0.02826%0.255CS..Hα-helixtrans-55.8-48.7176.6179.3-82.7128.700111.8L283 K284 K289 E290 T291 L547L283-E287 PolarHBondContact O-N 3.5Å; K284-E287 WeakPolarHBondContact CD-OE2 3.42Å; K284-E287 WeakPolarHBondContact CE-OE2 3.34Å; K284-E287 IonicContact NZ-OE2 2.73Å; K284-E287 PolarHBondContact NZ-OE2 3.49Å; K284-E287 PolarHBondContact O-N 3.3Å; E287-K289 PolarHBondContact O-N 2.75Å; E287-E290 PolarHBondContact O-N 3.07Å; E287-T291 WeakPolarHBondContact O-CB 3.4Å; E287-T291 PolarHBondContact O-N 3.24Å; E287-T291 PolarHBondContact O-OG1 3.38Å; E287-T291 VanDerWaalsContact O-OG1 3.05Å; E287-T291 PolarHBondContact OE1-OG1 2.94Å; E287-L547 HydrophobicContact CG-CD2 4Å; E287-L547 HydrophobicContact CG-CG 4.33Å
288V95.3Very high96.2Very high78 Ų7847.4 Ų47.447%0.47325%0.246SC..Hα-helixtrans-63-41.9-179.51700000111.9K284 A286 A292K284-V288 HydrophobicContact CD-CG2 4.27Å; K284-V288 WeakPolarHBondContact O-CG2 3.49Å; K284-V288 PolarHBondContact O-N 3.15Å; A286-V288 PolarHBondContact O-N 2.7Å; V288-A292 WeakPolarHBondContact O-CB 3.24Å; V288-A292 PolarHBondContact O-N 3.33Å
289K95.4Very high96.3Very high130 Ų13049.8 Ų49.857%0.56525%0.254SS*.Hα-helixtrans-65-43.7177.4-75.5178.4-175.5170.80111.8E285 A286 E287 A292 R293E285-K289 HydrophobicContact CG-CD 4.42Å; E285-K289 WeakPolarHBondContact O-CG 3.07Å; E285-K289 PolarHBondContact O-N 3.41Å; E285-K289 VanDerWaalsContact O-N 3.1Å; E285-K289 WeakPolarHBondContact OE1-CE 3.3Å; E285-K289 IonicContact OE1-NZ 2.62Å; E285-K289 PolarHBondContact OE1-NZ 3.34Å; A286-K289 PolarHBondContact O-N 3.5Å; E287-K289 PolarHBondContact O-N 2.75Å; K289-A292 PolarHBondContact O-N 3.38Å; K289-R293 PolarHBondContact O-N 2.6Å
290E96.2Very high96.3Very high33 Ų3353.8 Ų53.815%0.15427%0.273CS..Hα-helixtrans-65.3-45.7178.4-69.5167.2-174.200110.9A286 E287 A292 R293 L294 N544 A545 G546 L547A286-E290 WeakPolarHBondContact O-CB 3.49Å; A286-E290 WeakPolarHBondContact O-CG 3.42Å; A286-E290 PolarHBondContact O-N 3.12Å; E287-E290 PolarHBondContact O-N 3.07Å; E290-A292 VanDerWaalsContact C-N 3.29Å; E290-A292 PolarHBondContact O-N 2.99Å; E290-R293 WeakPolarHBondContact O-CA 3.41Å; E290-R293 WeakPolarHBondContact O-CB 3.19Å; E290-R293 PolarHBondContact O-N 2.89Å; E290-L294 WeakPolarHBondContact O-CG 3.09Å; E290-L294 PolarHBondContact O-N 2.96Å; E290-N544 VanDerWaalsContact CD-CA 3.44Å; E290-N544 VanDerWaalsContact OE2-CA 3.26Å; E290-N544 WeakPolarHBondContact OE2-CA 3.26Å; E290-A545 PolarHBondContact OE1-N 3.09Å; E290-G546 VanDerWaalsContact CD-N 3.33Å; E290-G546 PolarHBondContact OE1-N 3.4Å; E290-G546 VanDerWaalsContact OE2-CA 3.26Å; E290-G546 WeakPolarHBondContact OE2-CA 3.25Å; E290-G546 PolarHBondContact OE2-N 3.03Å; E290-L547 HydrophobicContact CB-CD1 3.87Å; E290-L547 HydrophobicContact CB-CG 4.16Å; E290-L547 PolarHBondContact OE2-N 3.49Å
291T96.7Very high96.3Very high25 Ų2553.8 Ų53.815%0.15327%0.272CS..Hα-helixtrans-56.2-42.6174.4-66.40000111.8E287 R293 L294 L295 L547E287-T291 WeakPolarHBondContact O-CB 3.4Å; E287-T291 PolarHBondContact O-N 3.24Å; E287-T291 PolarHBondContact O-OG1 3.38Å; E287-T291 VanDerWaalsContact O-OG1 3.05Å; E287-T291 PolarHBondContact OE1-OG1 2.94Å; T291-R293 PolarHBondContact O-N 3.08Å; T291-L294 PolarHBondContact O-N 2.91Å; T291-L295 HydrophobicContact CG2-CD1 4.41Å; T291-L295 WeakPolarHBondContact O-CG 3.47Å; T291-L295 PolarHBondContact O-N 3.23Å; T291-L547 WeakPolarHBondContact OG1-CD2 3.48Å
292A96.9Very high96.4Very high59 Ų5949.1 Ų49.149%0.48824%0.243SC..Hα-helixtrans-62.6-40.9175.300000112.3V288 K289 E290 L295 E296V288-A292 WeakPolarHBondContact O-CB 3.24Å; V288-A292 PolarHBondContact O-N 3.33Å; K289-A292 PolarHBondContact O-N 3.38Å; E290-A292 VanDerWaalsContact C-N 3.29Å; E290-A292 PolarHBondContact O-N 2.99Å; A292-L295 PolarHBondContact O-N 3.32Å; A292-E296 PolarHBondContact O-N 3.07Å
293R97.4Very high96.4Very high71 Ų7152.6 Ų52.627%0.26826%0.264SS..Hα-helixtrans-64.6-41175.5-177.558.1176.8155.23.8112.1K289 E290 T291 L295 E296 L297 V325 D329K289-R293 PolarHBondContact O-N 2.6Å; E290-R293 WeakPolarHBondContact O-CA 3.41Å; E290-R293 WeakPolarHBondContact O-CB 3.19Å; E290-R293 PolarHBondContact O-N 2.89Å; T291-R293 PolarHBondContact O-N 3.08Å; R293-L295 VanDerWaalsContact C-N 3.33Å; R293-L295 PolarHBondContact O-N 3.32Å; R293-E296 WeakPolarHBondContact CD-OE2 3.48Å; R293-E296 IonicContact CZ-OE2 3.78Å; R293-E296 IonicContact NH1-OE1 3.83Å; R293-E296 PolarHBondContact NH1-OE1 2.9Å; R293-E296 IonicContact NH1-OE2 3.29Å; R293-E296 PolarHBondContact NH1-OE2 3.46Å; R293-E296 WeakPolarHBondContact O-CB 3.15Å; R293-E296 PolarHBondContact O-N 2.95Å; R293-L297 WeakPolarHBondContact O-CG 3.35Å; R293-L297 PolarHBondContact O-N 3.42Å; R293-L297 VanDerWaalsContact O-N 3.08Å; R293-V325 HydrophobicContact CG-CG2 4.11Å; R293-D329 IonicContact CZ-OD1 3.56Å; R293-D329 IonicContact CZ-OD2 3.7Å; R293-D329 IonicContact NE-OD1 2.7Å; R293-D329 IonicContact NE-OD2 2.61Å; R293-D329 PolarHBondContact NE-OD2 2.76Å; R293-D329 IonicContact NH2-OD1 3.1Å; R293-D329 PolarHBondContact NH2-OD1 2.95Å; R293-D329 IonicContact NH2-OD2 3.33Å
294L97.9Very high96.5Very high0 Ų059.5 Ų59.50%029%0.29CS..Hα-helixtrans-63.7-39.3175.8-59-165.8000111.9E290 T291 E296 L297 K298 L313 M322 V325 L547E290-L294 WeakPolarHBondContact O-CG 3.09Å; E290-L294 PolarHBondContact O-N 2.96Å; T291-L294 PolarHBondContact O-N 2.91Å; L294-E296 VanDerWaalsContact C-N 3.35Å; L294-L297 PolarHBondContact O-N 3.48Å; L294-K298 WeakPolarHBondContact O-CB 3.35Å; L294-K298 PolarHBondContact O-N 3.16Å; L294-L313 HydrophobicContact CB-CD1 4.15Å; L294-L313 HydrophobicContact CB-CD2 4.05Å; L294-L313 HydrophobicContact CD1-CD2 3.74Å; L294-M322 HydrophobicContact CD1-CG 3.89Å; L294-M322 HydrophobicContact CD2-CG 4.45Å; L294-V325 HydrophobicContact CD2-CG2 3.53Å; L294-L547 HydrophobicContact CD1-CD1 3.42Å; L294-L547 VanDerWaalsContact CD1-CD1 3.42Å; L294-L547 HydrophobicContact CG-CD1 4.08Å
295L97.7Very high96.5Very high39 Ų3958.5 Ų58.520%0.20429%0.288CS..Hα-helixtrans-64.4-38.1175.4-77.5170.4000112.6T291 A292 R293 K298 K299 C312 L313T291-L295 HydrophobicContact CG2-CD1 4.41Å; T291-L295 WeakPolarHBondContact O-CG 3.47Å; T291-L295 PolarHBondContact O-N 3.23Å; A292-L295 PolarHBondContact O-N 3.32Å; R293-L295 VanDerWaalsContact C-N 3.33Å; R293-L295 PolarHBondContact O-N 3.32Å; L295-K298 PolarHBondContact O-N 2.96Å; L295-K299 PolarHBondContact O-N 3.32Å; L295-C312 VanDerWaalsContact CD2-C 3.45Å; L295-L313 HydrophobicContact CD2-CB 4.15Å
296E98Very high96.5Very high109 Ų10955.9 Ų55.951%0.50929%0.294SS..Hα-helixtrans-61.7-49.8174.5-173-171.1177.200111.3A292 R293 L294 K298 K299 E300A292-E296 PolarHBondContact O-N 3.07Å; R293-E296 WeakPolarHBondContact CD-OE2 3.48Å; R293-E296 IonicContact CZ-OE2 3.78Å; R293-E296 IonicContact NH1-OE1 3.83Å; R293-E296 PolarHBondContact NH1-OE1 2.9Å; R293-E296 IonicContact NH1-OE2 3.29Å; R293-E296 PolarHBondContact NH1-OE2 3.46Å; R293-E296 WeakPolarHBondContact O-CB 3.15Å; R293-E296 PolarHBondContact O-N 2.95Å; L294-E296 VanDerWaalsContact C-N 3.35Å; E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 3.41Å; E296-K299 WeakPolarHBondContact O-CB 3.37Å; E296-K299 PolarHBondContact O-N 3.31Å; E296-E300 PolarHBondContact O-N 3.23Å
297L97.9Very high96.5Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-60.8-40.8177.1-68.7174.6000111.9R293 L294 E300 E301 Y321 M324 V325R293-L297 WeakPolarHBondContact O-CG 3.35Å; R293-L297 PolarHBondContact O-N 3.42Å; R293-L297 VanDerWaalsContact O-N 3.08Å; L294-L297 PolarHBondContact O-N 3.48Å; L297-E300 PolarHBondContact O-N 2.95Å; L297-E301 WeakPolarHBondContact O-CB 3.42Å; L297-E301 PolarHBondContact O-N 3.22Å; L297-Y321 HydrophobicContact CB-CD1 3.75Å; L297-Y321 HydrophobicContact CB-CE1 4.33Å; L297-Y321 HydrophobicContact CB-CG 4.5Å; L297-M324 HydrophobicContact CB-SD 4.1Å; L297-M324 HydrophobicContact CD1-CB 4.27Å; L297-M324 HydrophobicContact CD1-CG 4.21Å; L297-M324 HydrophobicContact CD1-SD 4.3Å; L297-M324 HydrophobicContact CD2-CG 4.47Å; L297-M324 HydrophobicContact CD2-SD 4.02Å; L297-M324 HydrophobicContact CG-SD 4.38Å; L297-V325 HydrophobicContact CD1-CG2 3.55Å
298K98.1Very high96.5Very high9 Ų965.1 Ų65.14%0.03934%0.34CS..Hα-helixtrans-60.9-44.5175.2-177.3175175.5-179.80112.1L294 L295 E296 E301 C302 F309 N310 C312 N314 D317 Y321L294-K298 WeakPolarHBondContact O-CB 3.35Å; L294-K298 PolarHBondContact O-N 3.16Å; L295-K298 PolarHBondContact O-N 2.96Å; E296-K298 VanDerWaalsContact C-N 3.31Å; E296-K298 PolarHBondContact O-N 3.41Å; K298-E301 PolarHBondContact O-N 2.86Å; K298-C302 WeakPolarHBondContact O-CB 3.49Å; K298-C302 PolarHBondContact O-N 3.28Å; K298-C302 PolarHBondContact O-SG 3.16Å; K298-F309 HydrophobicContact CB-CE2 4.3Å; K298-F309 HydrophobicContact CD-CD2 4.45Å; K298-F309 HydrophobicContact CD-CE2 4.3Å; K298-F309 HydrophobicContact CG-CD2 4.1Å; K298-F309 HydrophobicContact CG-CE2 4.11Å; K298-N310 PolarHBondContact NZ-OD1 3.44Å; K298-N310 VanDerWaalsContact NZ-OD1 3.11Å; K298-C312 PolarHBondContact NZ-O 2.84Å; K298-N314 PolarHBondContact NZ-ND2 3.08Å; K298-N314 VanDerWaalsContact NZ-ND2 3.11Å; K298-D317 WeakPolarHBondContact CE-OD2 3.45Å; K298-D317 IonicContact NZ-OD2 2.67Å; K298-D317 PolarHBondContact NZ-OD2 2.93Å; K298-Y321 VanDerWaalsContact CA-CZ 3.41Å; K298-Y321 HydrophobicContact CB-CD2 4.07Å; K298-Y321 HydrophobicContact CB-CE1 4.09Å; K298-Y321 HydrophobicContact CB-CE2 3.52Å; K298-Y321 HydrophobicContact CD-CE2 3.97Å; K298-Y321 HydrophobicContact CG-CE2 3.65Å
299K98Very high96.5Very high109 Ų10964 Ų6447%0.47433%0.328SS..Hα-helixtrans-61.2-50.4177.7-176.8-179174.9-1750111.2L295 E296 E301 C302 D303 F309L295-K299 PolarHBondContact O-N 3.32Å; E296-K299 WeakPolarHBondContact O-CB 3.37Å; E296-K299 PolarHBondContact O-N 3.31Å; K299-E301 VanDerWaalsContact C-N 3.29Å; K299-E301 PolarHBondContact O-N 3.45Å; K299-C302 PolarHBondContact O-N 2.85Å; K299-D303 PolarHBondContact O-N 3.17Å; K299-F309 HydrophobicContact CB-CD1 4.15Å; K299-F309 HydrophobicContact CB-CD2 4.02Å; K299-F309 HydrophobicContact CB-CE1 3.99Å; K299-F309 HydrophobicContact CB-CE2 3.86Å; K299-F309 HydrophobicContact CB-CG 4.16Å; K299-F309 HydrophobicContact CB-CZ 3.82Å; K299-F309 HydrophobicContact CD-CD1 4.29Å; K299-F309 HydrophobicContact CD-CE1 4.07Å; K299-F309 HydrophobicContact CG-CD1 3.91Å; K299-F309 HydrophobicContact CG-CE1 4.01Å; K299-F309 HydrophobicContact CG-CG 4.17Å; K299-F309 HydrophobicContact CG-CZ 4.37Å
300E97.4Very high96.3Very high84 Ų8461.9 Ų61.939%0.39332%0.323SS..Hα-helixtrans-56.2-45.3178.8-172.7-158.5131.500111.5E296 L297 D303 R304 R328E296-E300 PolarHBondContact O-N 3.23Å; L297-E300 PolarHBondContact O-N 2.95Å; E300-D303 PolarHBondContact O-N 2.95Å; E300-R304 WeakPolarHBondContact O-CB 3.41Å; E300-R304 PolarHBondContact O-N 2.93Å; E300-R328 IonicContact OE1-CZ 3.08Å; E300-R328 IonicContact OE1-NH1 3.73Å; E300-R328 PolarHBondContact OE1-NH1 2.95Å; E300-R328 IonicContact OE1-NH2 2.79Å; E300-R328 PolarHBondContact OE1-NH2 2.85Å; E300-R328 IonicContact OE2-NH1 2.74Å; E300-R328 PolarHBondContact OE2-NH1 3.06Å
301E96.3Very high96.2Very high3 Ų366 Ų661%0.01435%0.346CS..Hα-helixtrans-70.7-40.5-179.7-171.8-178.6-151.800112.8L297 K298 K299 D303 R304 L305 Y320 Y321L297-E301 WeakPolarHBondContact O-CB 3.42Å; L297-E301 PolarHBondContact O-N 3.22Å; K298-E301 PolarHBondContact O-N 2.86Å; K299-E301 VanDerWaalsContact C-N 3.29Å; K299-E301 PolarHBondContact O-N 3.45Å; E301-D303 VanDerWaalsContact C-N 3.28Å; E301-D303 PolarHBondContact O-N 3.07Å; E301-R304 PolarHBondContact O-N 2.99Å; E301-R304 IonicContact OE1-NH2 3.29Å; E301-L305 HydrophobicContact CG-CD1 3.67Å; E301-L305 HydrophobicContact CG-CG 4.07Å; E301-L305 WeakPolarHBondContact O-CB 3.43Å; E301-L305 PolarHBondContact O-N 3.14Å; E301-L305 WeakPolarHBondContact OE1-CD1 3.48Å; E301-Y320 PolarHBondContact OE1-OH 2.69Å; E301-Y320 WeakPolarHBondContact OE2-CE1 3.24Å; E301-Y321 HydrophobicContact CB-CE1 4.4Å; E301-Y321 WeakPolarHBondContact OE2-CE1 3.37Å; E301-Y321 VanDerWaalsContact OE2-CZ 3.31Å; E301-Y321 PolarHBondContact OE2-OH 2.86Å
302C96.6Very high96.1Very high7 Ų767 Ų675%0.04735%0.354CS..Hα-helixtrans-56-46.2173.6-78.10000110.9K298 K299 R304 G306 Y307 F309K298-C302 WeakPolarHBondContact O-CB 3.49Å; K298-C302 PolarHBondContact O-N 3.28Å; K298-C302 PolarHBondContact O-SG 3.16Å; K299-C302 PolarHBondContact O-N 2.85Å; C302-R304 PolarHBondContact O-N 3.42Å; C302-G306 CarbonylContact O-C 3.56Å; C302-G306 WeakPolarHBondContact O-CA 3.25Å; C302-G306 PolarHBondContact O-N 3.2Å; C302-Y307 WeakPolarHBondContact CB-O 3.39Å; C302-Y307 PolarHBondContact O-N 3.22Å; C302-F309 HydrophobicContact CB-CB 3.94Å
303D96.3Very high96Very high115 Ų11565 Ų6562%0.61534%0.335SS*.Hα-helixtrans-62.1-42.6176.8-68.5-19.4000111.3K299 E300 E301K299-D303 PolarHBondContact O-N 3.17Å; E300-D303 PolarHBondContact O-N 2.95Å; E301-D303 VanDerWaalsContact C-N 3.28Å; E301-D303 PolarHBondContact O-N 3.07Å
304R96.3Very high95.9Very high147 Ų14762.9 Ų62.956%0.55533%0.329SS*.Hα-helixtrans-68.1-40.5-179.4-174.2-174.866.484.5-1.1113.7E300 E301 C302E300-R304 WeakPolarHBondContact O-CB 3.41Å; E300-R304 PolarHBondContact O-N 2.93Å; E301-R304 PolarHBondContact O-N 2.99Å; E301-R304 IonicContact OE1-NH2 3.29Å; C302-R304 PolarHBondContact O-N 3.42Å
305L94.2Very high95.9Very high59 Ų5964 Ų6431%0.30934%0.336SS..Hα-helixtrans-95.5-4.6-175.8-66.6-178.4000113.3E301 Y307E301-L305 HydrophobicContact CG-CD1 3.67Å; E301-L305 HydrophobicContact CG-CG 4.07Å; E301-L305 WeakPolarHBondContact O-CB 3.43Å; E301-L305 PolarHBondContact O-N 3.14Å; E301-L305 WeakPolarHBondContact OE1-CD1 3.48Å; L305-Y307 HydrophobicContact CB-CD2 3.6Å; L305-Y307 HydrophobicContact CB-CE2 3.62Å; L305-Y307 HydrophobicContact CB-CG 4.47Å; L305-Y307 HydrophobicContact CD1-CD2 4.13Å; L305-Y307 HydrophobicContact CD1-CE2 3.65Å; L305-Y307 HydrophobicContact CG-CE2 4.29Å
306G95Very high95.9Very high69 Ų6963.6 Ų63.671%0.71133%0.332SS*.THydrogen-bonded Turntrans74.726.5-178.300000114C302C302-G306 CarbonylContact O-C 3.56Å; C302-G306 WeakPolarHBondContact O-CA 3.25Å; C302-G306 PolarHBondContact O-N 3.2Å
307Y94.4Very high95.9Very high90 Ų9058.5 Ų58.535%0.35331%0.308SS..PPolyproline II helixtrans-89.3155.4173.2-62.8-53.3000111.6P215 C302 L305 F309P215-Y307 HydrophobicContact CG-CD1 4.14Å; P215-Y307 HydrophobicContact CG-CD2 3.95Å; P215-Y307 HydrophobicContact CG-CE1 4.12Å; P215-Y307 HydrophobicContact CG-CE2 3.91Å; P215-Y307 HydrophobicContact CG-CG 4.07Å; C302-Y307 WeakPolarHBondContact CB-O 3.39Å; C302-Y307 PolarHBondContact O-N 3.22Å; L305-Y307 HydrophobicContact CB-CD2 3.6Å; L305-Y307 HydrophobicContact CB-CE2 3.62Å; L305-Y307 HydrophobicContact CB-CG 4.47Å; L305-Y307 HydrophobicContact CD1-CD2 4.13Å; L305-Y307 HydrophobicContact CD1-CE2 3.65Å; L305-Y307 HydrophobicContact CG-CE2 4.29Å; Y307-F309 PolarHBondContact O-N 3.48Å
308T94Very high95.9Very high132 Ų13260 Ų6081%0.8132%0.318SS*.PPolyproline II helixtrans-77121.6176-58.70000111
309F96.2Very high95.8Very high54 Ų5463 Ų6324%0.23733%0.329CS..PPolyproline II helixtrans-84.2117.6171.4-179.9-117.3000110.9K298 K299 C302 Y307 N311K298-F309 HydrophobicContact CB-CE2 4.3Å; K298-F309 HydrophobicContact CD-CD2 4.45Å; K298-F309 HydrophobicContact CD-CE2 4.3Å; K298-F309 HydrophobicContact CG-CD2 4.1Å; K298-F309 HydrophobicContact CG-CE2 4.11Å; K299-F309 HydrophobicContact CB-CD1 4.15Å; K299-F309 HydrophobicContact CB-CD2 4.02Å; K299-F309 HydrophobicContact CB-CE1 3.99Å; K299-F309 HydrophobicContact CB-CE2 3.86Å; K299-F309 HydrophobicContact CB-CG 4.16Å; K299-F309 HydrophobicContact CB-CZ 3.82Å; K299-F309 HydrophobicContact CD-CD1 4.29Å; K299-F309 HydrophobicContact CD-CE1 4.07Å; K299-F309 HydrophobicContact CG-CD1 3.91Å; K299-F309 HydrophobicContact CG-CE1 4.01Å; K299-F309 HydrophobicContact CG-CG 4.17Å; K299-F309 HydrophobicContact CG-CZ 4.37Å; C302-F309 HydrophobicContact CB-CB 3.94Å; Y307-F309 PolarHBondContact O-N 3.48Å; F309-N311 HydrophobicContact CD1-CB 4.45Å; F309-N311 HydrophobicContact CE1-CB 3.82Å; F309-N311 WeakPolarHBondContact CE1-OD1 3.19Å; F309-N311 VanDerWaalsContact CZ-CA 3.49Å; F309-N311 HydrophobicContact CZ-CB 4.12Å
310N92Very high95.8Very high85 Ų8558.8 Ų58.846%0.45531%0.31SS..  trans-100.110.8-177.465.7-11.4000114.1K298 C312K298-N310 PolarHBondContact NZ-OD1 3.44Å; K298-N310 VanDerWaalsContact NZ-OD1 3.11Å; N310-C312 PolarHBondContact ND2-SG 3.01Å; N310-C312 PolarHBondContact O-N 3.38Å; N310-C312 VanDerWaalsContact O-N 3.13Å; N310-C312 PolarHBondContact OD1-O 3.44Å; N310-C312 PolarHBondContact OD1-SG 3.1Å; N310-C312 VanDerWaalsContact OD1-SG 3.37Å
311N93.6Very high95.8Very high119 Ų11955 Ų5564%0.63629%0.292SS*.SBendtrans52.631.2-179.8-159.852.5000115F309F309-N311 HydrophobicContact CD1-CB 4.45Å; F309-N311 HydrophobicContact CE1-CB 3.82Å; F309-N311 WeakPolarHBondContact CE1-OD1 3.19Å; F309-N311 VanDerWaalsContact CZ-CA 3.49Å; F309-N311 HydrophobicContact CZ-CB 4.12Å
312C93.7Very high95.8Very high48 Ų4856.8 Ų56.832%0.32430%0.301SS..SBendtrans-135.8157.3169.2730000110.7L295 K298 N310L295-C312 VanDerWaalsContact CD2-C 3.45Å; K298-C312 PolarHBondContact NZ-O 2.84Å; N310-C312 PolarHBondContact ND2-SG 3.01Å; N310-C312 PolarHBondContact O-N 3.38Å; N310-C312 VanDerWaalsContact O-N 3.13Å; N310-C312 PolarHBondContact OD1-O 3.44Å; N310-C312 PolarHBondContact OD1-SG 3.1Å; N310-C312 VanDerWaalsContact OD1-SG 3.37Å
313L95.1Very high95.7Very high16 Ų1657.1 Ų57.18%0.08430%0.302CS..  trans-99.3121.5170.7-168.368.5000107.7L294 L295 D317 T318 Y321 I585L294-L313 HydrophobicContact CB-CD1 4.15Å; L294-L313 HydrophobicContact CB-CD2 4.05Å; L294-L313 HydrophobicContact CD1-CD2 3.74Å; L295-L313 HydrophobicContact CD2-CB 4.15Å; L313-D317 HydrophobicContact CD1-CB 3.58Å; L313-D317 HydrophobicContact CG-CB 4.33Å; L313-T318 HydrophobicContact CD2-CG2 4.09Å; L313-T318 HydrophobicContact CG-CG2 4.32Å; L313-Y321 HydrophobicContact CD1-CD2 4.08Å; L313-I585 HydrophobicContact CB-CD1 4.49Å; L313-I585 HydrophobicContact CD2-CD1 3.74Å; L313-I585 HydrophobicContact CG-CD1 4.2Å
314N96.3Very high95.7Very high26 Ų2652.1 Ų52.114%0.13928%0.275CS..  trans-92.4161.3176.4-53.7-73000110.3K298 W316 D317K298-N314 PolarHBondContact NZ-ND2 3.08Å; K298-N314 VanDerWaalsContact NZ-ND2 3.11Å; N314-W316 HydrophobicContact CB-CD2 3.57Å; N314-W316 HydrophobicContact CB-CE3 3.77Å; N314-W316 HydrophobicContact CB-CG 4.26Å; N314-W316 HydrophobicContact CB-CH2 3.6Å; N314-W316 HydrophobicContact CB-CZ2 3.41Å; N314-W316 VanDerWaalsContact CB-CZ2 3.41Å; N314-W316 HydrophobicContact CB-CZ3 3.77Å; N314-W316 VanDerWaalsContact ND2-CZ2 3.31Å; N314-W316 WeakPolarHBondContact ND2-CZ2 3.4Å; N314-W316 PolarHBondContact O-N 2.96Å; N314-D317 WeakPolarHBondContact CB-OD2 3.5Å; N314-D317 PolarHBondContact N-OD2 3.34Å; N314-D317 PolarHBondContact ND2-OD2 2.9Å; N314-D317 WeakPolarHBondContact O-CB 3.36Å; N314-D317 PolarHBondContact O-N 3.25Å
315P97.1Very high95.7Very high24 Ų2445.5 Ų45.516%0.15625%0.251CS..Hα-helixtrans-51-41.5174.9-30.937.7000113.8E222 D317 T318 I585 E586E222-P315 HydrophobicContact CG-CB 4.26Å; E222-P315 WeakPolarHBondContact OE1-CB 3.25Å; P315-D317 PolarHBondContact O-N 2.87Å; P315-T318 PolarHBondContact O-N 3.42Å; P315-T318 PolarHBondContact O-OG1 3.13Å; P315-I585 HydrophobicContact CG-CG2 3.91Å; P315-E586 VanDerWaalsContact CG-O 3.23Å; P315-E586 WeakPolarHBondContact CG-O 3.38Å
316W98Very high95.7Very high31 Ų3145.3 Ų45.312%0.11725%0.248CC..Hα-helixtrans-74.2-6179.863.481.8000115.3M209 R218 R219 E222 N314 T588M209-W316 HydrophobicContact CE-CB 3.87Å; M209-W316 WeakPolarHBondContact CE-O 3.39Å; R218-W316 HydrophobicContact CB-CB 4.12Å; R218-W316 WeakPolarHBondContact CD-O 3.49Å; R218-W316 PolarHBondContact NE-O 2.94Å; R218-W316 VanDerWaalsContact NE-O 3.08Å; R219-W316 HydrophobicContact CB-CD2 3.76Å; R219-W316 HydrophobicContact CB-CE3 4.29Å; R219-W316 HydrophobicContact CB-CG 3.88Å; R219-W316 HydrophobicContact CB-CZ2 4.44Å; R219-W316 HydrophobicContact CG-CD2 3.84Å; R219-W316 HydrophobicContact CG-CE3 3.9Å; R219-W316 HydrophobicContact CG-CG 4.46Å; R219-W316 HydrophobicContact CG-CH2 4.14Å; R219-W316 HydrophobicContact CG-CZ2 4.04Å; R219-W316 HydrophobicContact CG-CZ3 4.06Å; E222-W316 HydrophobicContact CB-CB 3.68Å; E222-W316 HydrophobicContact CG-CB 4Å; N314-W316 HydrophobicContact CB-CD2 3.57Å; N314-W316 HydrophobicContact CB-CE3 3.77Å; N314-W316 HydrophobicContact CB-CG 4.26Å; N314-W316 HydrophobicContact CB-CH2 3.6Å; N314-W316 HydrophobicContact CB-CZ2 3.41Å; N314-W316 VanDerWaalsContact CB-CZ2 3.41Å; N314-W316 HydrophobicContact CB-CZ3 3.77Å; N314-W316 VanDerWaalsContact ND2-CZ2 3.31Å; N314-W316 WeakPolarHBondContact ND2-CZ2 3.4Å; N314-W316 PolarHBondContact O-N 2.96Å; W316-T588 HydrophobicContact CZ3-CG2 3.94Å; W316-T588 WeakPolarHBondContact CZ3-OG1 3.49Å
317D97.9Very high95.6Very high2 Ų245.1 Ų45.11%0.01123%0.228CC..Hα-helixtrans-93.8-28.3176.5-66.1-38.1000112R218 K298 L313 N314 P315 R319 Y320 Y321R218-D317 IonicContact NH2-OD1 3.91Å; R218-D317 PolarHBondContact NH2-OD1 3.27Å; K298-D317 WeakPolarHBondContact CE-OD2 3.45Å; K298-D317 IonicContact NZ-OD2 2.67Å; K298-D317 PolarHBondContact NZ-OD2 2.93Å; L313-D317 HydrophobicContact CD1-CB 3.58Å; L313-D317 HydrophobicContact CG-CB 4.33Å; N314-D317 WeakPolarHBondContact CB-OD2 3.5Å; N314-D317 PolarHBondContact N-OD2 3.34Å; N314-D317 PolarHBondContact ND2-OD2 2.9Å; N314-D317 WeakPolarHBondContact O-CB 3.36Å; N314-D317 PolarHBondContact O-N 3.25Å; P315-D317 PolarHBondContact O-N 2.87Å; D317-R319 PolarHBondContact O-N 2.72Å; D317-Y320 PolarHBondContact O-N 2.99Å; D317-Y321 HydrophobicContact CB-CD2 3.84Å; D317-Y321 HydrophobicContact CB-CE2 3.79Å; D317-Y321 VanDerWaalsContact O-CD2 3.22Å; D317-Y321 WeakPolarHBondContact O-CD2 2.97Å; D317-Y321 PolarHBondContact O-N 2.9Å
318T96.6Very high95.6Very high31 Ų3145.6 Ų45.619%0.1923%0.229CC..Hα-helixtrans-53.2-60.3-170.256.20000113.5L313 P315 Y320 Y321 M322 I585L313-T318 HydrophobicContact CD2-CG2 4.09Å; L313-T318 HydrophobicContact CG-CG2 4.32Å; P315-T318 PolarHBondContact O-N 3.42Å; P315-T318 PolarHBondContact O-OG1 3.13Å; T318-Y320 VanDerWaalsContact C-N 3.27Å; T318-Y320 PolarHBondContact O-N 2.96Å; T318-Y321 PolarHBondContact O-N 2.77Å; T318-M322 WeakPolarHBondContact O-CB 3.24Å; T318-M322 WeakPolarHBondContact O-CG 3.47Å; T318-M322 PolarHBondContact O-N 3.38Å; T318-I585 HydrophobicContact CG2-CD1 3.5Å; T318-I585 VanDerWaalsContact CG2-CD1 3.5Å
319R96.7Very high95.6Very high72 Ų7242.6 Ų42.627%0.27221%0.209SC..Hα-helixtrans-62.3-35.5-176.6-66.9-173.3178.6-77.3-2.9112.9M209 Q210 D317 N323M209-R319 HydrophobicContact CB-CB 4.26Å; Q210-R319 HydrophobicContact CG-CB 4.28Å; D317-R319 PolarHBondContact O-N 2.72Å; R319-N323 WeakPolarHBondContact O-CB 3.3Å; R319-N323 PolarHBondContact O-N 3.46Å
320Y97.5Very high95.5Very high21 Ų2142.6 Ų42.68%0.08221%0.208CC..Hα-helixtrans-64.9-53-179.7-175.8-96.7000110.7M209 Q210 A212 E301 D317 T318 N323 M324M209-Y320 WeakPolarHBondContact O-CA 3.37Å; M209-Y320 WeakPolarHBondContact O-CB 3.34Å; M209-Y320 PolarHBondContact O-N 3.29Å; M209-Y320 VanDerWaalsContact O-N 3.14Å; Q210-Y320 WeakPolarHBondContact O-CD2 3.34Å; A212-Y320 WeakPolarHBondContact O-CD2 3.32Å; A212-Y320 WeakPolarHBondContact O-CE2 2.96Å; E301-Y320 PolarHBondContact OE1-OH 2.69Å; E301-Y320 WeakPolarHBondContact OE2-CE1 3.24Å; D317-Y320 PolarHBondContact O-N 2.99Å; T318-Y320 VanDerWaalsContact C-N 3.27Å; T318-Y320 PolarHBondContact O-N 2.96Å; Y320-N323 WeakPolarHBondContact O-CB 3.25Å; Y320-N323 PolarHBondContact O-N 3.27Å; Y320-M324 HydrophobicContact CD1-CE 4.32Å; Y320-M324 HydrophobicContact CE1-CE 3.42Å; Y320-M324 VanDerWaalsContact CE1-CE 3.42Å; Y320-M324 PolarHBondContact O-N 3.45Å
321Y97.9Very high95.6Very high5 Ų542.1 Ų42.12%0.0221%0.211CC..Hα-helixtrans-74-31-179.8-64.8-62.3000112.8L297 K298 E301 L313 D317 T318 N323 M324 V325L297-Y321 HydrophobicContact CB-CD1 3.75Å; L297-Y321 HydrophobicContact CB-CE1 4.33Å; L297-Y321 HydrophobicContact CB-CG 4.5Å; K298-Y321 VanDerWaalsContact CA-CZ 3.41Å; K298-Y321 HydrophobicContact CB-CD2 4.07Å; K298-Y321 HydrophobicContact CB-CE1 4.09Å; K298-Y321 HydrophobicContact CB-CE2 3.52Å; K298-Y321 HydrophobicContact CD-CE2 3.97Å; K298-Y321 HydrophobicContact CG-CE2 3.65Å; E301-Y321 HydrophobicContact CB-CE1 4.4Å; E301-Y321 WeakPolarHBondContact OE2-CE1 3.37Å; E301-Y321 VanDerWaalsContact OE2-CZ 3.31Å; E301-Y321 PolarHBondContact OE2-OH 2.86Å; L313-Y321 HydrophobicContact CD1-CD2 4.08Å; D317-Y321 HydrophobicContact CB-CD2 3.84Å; D317-Y321 HydrophobicContact CB-CE2 3.79Å; D317-Y321 VanDerWaalsContact O-CD2 3.22Å; D317-Y321 WeakPolarHBondContact O-CD2 2.97Å; D317-Y321 PolarHBondContact O-N 2.9Å; T318-Y321 PolarHBondContact O-N 2.77Å; Y321-N323 VanDerWaalsContact C-N 3.29Å; Y321-N323 PolarHBondContact O-N 3.01Å; Y321-M324 HydrophobicContact CD1-CE 4.21Å; Y321-M324 HydrophobicContact CD1-SD 4.19Å; Y321-M324 HydrophobicContact CE1-CE 4.14Å; Y321-M324 HydrophobicContact CE1-SD 4.45Å; Y321-M324 PolarHBondContact O-N 2.96Å; Y321-V325 WeakPolarHBondContact O-CG2 3.36Å; Y321-V325 PolarHBondContact O-N 3Å
322M96.8Very high95.4Very high39 Ų3936.6 Ų36.619%0.19218%0.181CC..Hα-helixtrans-61.2-39.4171.2-72.8171.676.800111.6L294 T318 V325 K326 N544 F548L294-M322 HydrophobicContact CD1-CG 3.89Å; L294-M322 HydrophobicContact CD2-CG 4.45Å; T318-M322 WeakPolarHBondContact O-CB 3.24Å; T318-M322 WeakPolarHBondContact O-CG 3.47Å; T318-M322 PolarHBondContact O-N 3.38Å; M322-V325 PolarHBondContact O-N 3.16Å; M322-K326 PolarHBondContact O-N 3.09Å; M322-N544 HydrophobicContact CB-CB 4.36Å; M322-N544 HydrophobicContact CE-CB 3.45Å; M322-N544 VanDerWaalsContact CE-CB 3.45Å; M322-N544 HydrophobicContact CG-CB 3.94Å; M322-N544 PolarHBondContact O-ND2 2.98Å; M322-N544 HydrophobicContact SD-CB 4.49Å; M322-F548 HydrophobicContact CE-CB 4.4Å
323N94.6Very high95.1Very high14 Ų1437.7 Ų37.78%0.07518%0.184CC..Hα-helixtrans-65.6-43172.9179.772.8000111Q210 R319 Y320 Y321 V325 K326 E327Q210-N323 HydrophobicContact CB-CB 4.21Å; Q210-N323 HydrophobicContact CG-CB 4.46Å; Q210-N323 PolarHBondContact O-ND2 3.48Å; R319-N323 WeakPolarHBondContact O-CB 3.3Å; R319-N323 PolarHBondContact O-N 3.46Å; Y320-N323 WeakPolarHBondContact O-CB 3.25Å; Y320-N323 PolarHBondContact O-N 3.27Å; Y321-N323 VanDerWaalsContact C-N 3.29Å; Y321-N323 PolarHBondContact O-N 3.01Å; N323-V325 VanDerWaalsContact C-N 3.3Å; N323-V325 PolarHBondContact O-N 3.46Å; N323-K326 WeakPolarHBondContact O-CB 3.49Å; N323-K326 PolarHBondContact O-N 3.2Å; N323-K326 VanDerWaalsContact O-N 3.1Å; N323-E327 PolarHBondContact ND2-OE1 3.23Å; N323-E327 PolarHBondContact O-N 2.93Å
324M95.6Very high94.5Very high10 Ų1039.2 Ų39.25%0.04919%0.191CC..Hα-helixtrans-62.1-35.1176.8-168.9179.8-6500112.9L297 Y320 Y321 E327 R328L297-M324 HydrophobicContact CB-SD 4.1Å; L297-M324 HydrophobicContact CD1-CB 4.27Å; L297-M324 HydrophobicContact CD1-CG 4.21Å; L297-M324 HydrophobicContact CD1-SD 4.3Å; L297-M324 HydrophobicContact CD2-CG 4.47Å; L297-M324 HydrophobicContact CD2-SD 4.02Å; L297-M324 HydrophobicContact CG-SD 4.38Å; Y320-M324 HydrophobicContact CD1-CE 4.32Å; Y320-M324 HydrophobicContact CE1-CE 3.42Å; Y320-M324 VanDerWaalsContact CE1-CE 3.42Å; Y320-M324 PolarHBondContact O-N 3.45Å; Y321-M324 HydrophobicContact CD1-CE 4.21Å; Y321-M324 HydrophobicContact CD1-SD 4.19Å; Y321-M324 HydrophobicContact CE1-CE 4.14Å; Y321-M324 HydrophobicContact CE1-SD 4.45Å; Y321-M324 PolarHBondContact O-N 2.96Å; M324-E327 PolarHBondContact O-N 3.31Å; M324-R328 HydrophobicContact CG-CG 4.01Å; M324-R328 WeakPolarHBondContact O-CB 3.38Å; M324-R328 WeakPolarHBondContact O-CG 3.34Å; M324-R328 PolarHBondContact O-N 3.16Å
325V96.9Very high93.7Very high9 Ų940.7 Ų40.76%0.05520%0.201CC..Hα-helixtrans-59.8-46.2171.8166.60000110.8R293 L294 L297 Y321 M322 N323 E327 R328 D329 Y330 A543R293-V325 HydrophobicContact CG-CG2 4.11Å; L294-V325 HydrophobicContact CD2-CG2 3.53Å; L297-V325 HydrophobicContact CD1-CG2 3.55Å; Y321-V325 WeakPolarHBondContact O-CG2 3.36Å; Y321-V325 PolarHBondContact O-N 3Å; M322-V325 PolarHBondContact O-N 3.16Å; N323-V325 VanDerWaalsContact C-N 3.3Å; N323-V325 PolarHBondContact O-N 3.46Å; V325-E327 VanDerWaalsContact C-N 3.32Å; V325-E327 PolarHBondContact O-N 2.67Å; V325-R328 PolarHBondContact O-N 2.99Å; V325-D329 HydrophobicContact CG1-CB 4.28Å; V325-D329 WeakPolarHBondContact O-CA 3.25Å; V325-D329 VanDerWaalsContact O-CB 3.28Å; V325-D329 WeakPolarHBondContact O-CB 3.4Å; V325-D329 PolarHBondContact O-N 3.31Å; V325-Y330 HydrophobicContact CG1-CD2 4.31Å; V325-Y330 HydrophobicContact CG1-CE2 4Å; V325-A543 HydrophobicContact CG1-CB 4.48Å
326K93.5Very high93.1Very high54 Ų5442.1 Ų42.124%0.23521%0.214CC..Hα-helixtrans-59.6-44.2176.7-68.2-177.7171.6-171.80111.6M322 N323 Y330 S331 V332 E334 A543M322-K326 PolarHBondContact O-N 3.09Å; N323-K326 WeakPolarHBondContact O-CB 3.49Å; N323-K326 PolarHBondContact O-N 3.2Å; N323-K326 VanDerWaalsContact O-N 3.1Å; K326-Y330 CarbonylContact O-C 3.54Å; K326-Y330 WeakPolarHBondContact O-CB 3.37Å; K326-Y330 PolarHBondContact O-N 3.2Å; K326-S331 PolarHBondContact O-N 3.1Å; K326-V332 PolarHBondContact O-N 3.32Å; K326-V332 VanDerWaalsContact O-N 3.15Å; K326-E334 IonicContact NZ-OE1 2.75Å; K326-E334 PolarHBondContact NZ-OE1 3.38Å; K326-A543 HydrophobicContact CG-CB 4.03Å
327E93.1Very high92.7Very high65 Ų6540.7 Ų40.730%0.30421%0.209SC..Hα-helixtrans-67.1-46.5-179.6-70.4173.5-177.500112.5K211 N323 M324 V325 S331 V332K211-E327 IonicContact NZ-OE1 3.19Å; K211-E327 PolarHBondContact NZ-OE1 3.37Å; N323-E327 PolarHBondContact ND2-OE1 3.23Å; N323-E327 PolarHBondContact O-N 2.93Å; M324-E327 PolarHBondContact O-N 3.31Å; V325-E327 VanDerWaalsContact C-N 3.32Å; V325-E327 PolarHBondContact O-N 2.67Å; E327-S331 WeakPolarHBondContact O-CA 3.43Å; E327-S331 PolarHBondContact O-N 3.43Å; E327-V332 WeakPolarHBondContact CA-O 3.31Å
328R94.2Very high92.2Very high100 Ų10044.1 Ų44.138%0.37722%0.224SC..Hα-helixtrans-88.7-44.4-171.3-66.7-173.5174.5-161-5.5113.4E300 M324 V325E300-R328 IonicContact OE1-CZ 3.08Å; E300-R328 IonicContact OE1-NH1 3.73Å; E300-R328 PolarHBondContact OE1-NH1 2.95Å; E300-R328 IonicContact OE1-NH2 2.79Å; E300-R328 PolarHBondContact OE1-NH2 2.85Å; E300-R328 IonicContact OE2-NH1 2.74Å; E300-R328 PolarHBondContact OE2-NH1 3.06Å; M324-R328 HydrophobicContact CG-CG 4.01Å; M324-R328 WeakPolarHBondContact O-CB 3.38Å; M324-R328 WeakPolarHBondContact O-CG 3.34Å; M324-R328 PolarHBondContact O-N 3.16Å; V325-R328 PolarHBondContact O-N 2.99Å
329D94.7Very high91.9Very high70 Ų7047.5 Ų47.537%0.37424%0.236SC..Hα-helixtrans-88.5-26.6-171-59.8-2.8000111.1R293 V325R293-D329 IonicContact CZ-OD1 3.56Å; R293-D329 IonicContact CZ-OD2 3.7Å; R293-D329 IonicContact NE-OD1 2.7Å; R293-D329 IonicContact NE-OD2 2.61Å; R293-D329 PolarHBondContact NE-OD2 2.76Å; R293-D329 IonicContact NH2-OD1 3.1Å; R293-D329 PolarHBondContact NH2-OD1 2.95Å; R293-D329 IonicContact NH2-OD2 3.33Å; V325-D329 HydrophobicContact CG1-CB 4.28Å; V325-D329 WeakPolarHBondContact O-CA 3.25Å; V325-D329 VanDerWaalsContact O-CB 3.28Å; V325-D329 WeakPolarHBondContact O-CB 3.4Å; V325-D329 PolarHBondContact O-N 3.31Å
330Y93.9Very high91.7Very high54 Ų5444.9 Ų44.921%0.21223%0.226CC..SBendtrans-111.8-6.7178-61.5-91.4000113.5V325 K326 V332 N536 N539 S540 I542 A543V325-Y330 HydrophobicContact CG1-CD2 4.31Å; V325-Y330 HydrophobicContact CG1-CE2 4Å; K326-Y330 CarbonylContact O-C 3.54Å; K326-Y330 WeakPolarHBondContact O-CB 3.37Å; K326-Y330 PolarHBondContact O-N 3.2Å; Y330-V332 PolarHBondContact O-N 3.03Å; Y330-N536 WeakPolarHBondContact O-CB 3.22Å; Y330-N536 VanDerWaalsContact O-CG 3.28Å; Y330-N536 PolarHBondContact O-ND2 2.9Å; Y330-N539 VanDerWaalsContact CD1-C 3.5Å; Y330-N539 HydrophobicContact CD1-CB 4.03Å; Y330-N539 WeakPolarHBondContact CD1-O 3.4Å; Y330-N539 HydrophobicContact CE1-CB 4.25Å; Y330-N539 WeakPolarHBondContact CE1-O 3.35Å; Y330-S540 VanDerWaalsContact CD1-CA 3.47Å; Y330-I542 HydrophobicContact CE1-CG1 4.47Å; Y330-A543 HydrophobicContact CD2-CB 3.74Å; Y330-A543 HydrophobicContact CE2-CB 3.37Å
331S93.8Very high91.6Very high75 Ų7543.9 Ų43.952%0.52422%0.222SC..  trans55.239.5-178.4-58.10000112.9K326 E327K326-S331 PolarHBondContact O-N 3.1Å; E327-S331 WeakPolarHBondContact O-CA 3.43Å; E327-S331 PolarHBondContact O-N 3.43Å
332V90.6Very high91.3Very high3 Ų344.4 Ų44.42%0.01823%0.226CC..  trans-112.1114.6177.8178.90000109.9K326 E327 Y330 E334 N536 L537K326-V332 PolarHBondContact O-N 3.32Å; K326-V332 VanDerWaalsContact O-N 3.15Å; E327-V332 WeakPolarHBondContact CA-O 3.31Å; Y330-V332 PolarHBondContact O-N 3.03Å; V332-E334 HydrophobicContact CG1-CG 4.49Å; V332-N536 HydrophobicContact CG2-CB 4.11Å; V332-L537 HydrophobicContact CG1-CD1 4.49Å
333D87.1Confident91.2Very high71 Ų7143.1 Ų43.138%0.3822%0.22SC..  trans-103.1106165.7179-7.7000108.9V335 A336 L337D333-V335 PolarHBondContact O-N 3.45Å; D333-V335 WeakPolarHBondContact OD1-CB 3.41Å; D333-V335 PolarHBondContact OD1-N 3.23Å; D333-A336 HydrophobicContact CB-CB 3.9Å; D333-A336 PolarHBondContact O-N 2.82Å; D333-A336 PolarHBondContact OD1-N 3.22Å; D333-L337 WeakPolarHBondContact O-CB 3.42Å; D333-L337 PolarHBondContact O-N 3.07Å
334E81.2Confident91Very high48 Ų4845.9 Ų45.922%0.22425%0.245CC..Hα-helixtrans-59.1-31.5-178.6-67.5-173.8-17700112.4K326 V332 K338K326-E334 IonicContact NZ-OE1 2.75Å; K326-E334 PolarHBondContact NZ-OE1 3.38Å; V332-E334 HydrophobicContact CG1-CG 4.49Å; E334-K338 PolarHBondContact O-N 2.63Å
335V79.8Confident91Very high57 Ų5746.3 Ų46.335%0.34525%0.248SC..Hα-helixtrans-73.5-41.4179.4-178.70000110.5D333 L337 K338D333-V335 PolarHBondContact O-N 3.45Å; D333-V335 WeakPolarHBondContact OD1-CB 3.41Å; D333-V335 PolarHBondContact OD1-N 3.23Å; V335-L337 VanDerWaalsContact C-N 3.32Å; V335-K338 WeakPolarHBondContact O-CD 3.46Å; V335-K338 VanDerWaalsContact O-CG 3.24Å; V335-K338 WeakPolarHBondContact O-CG 3.39Å
336A84.1Confident90.9Very high54 Ų5445.9 Ų45.945%0.44625%0.246SC..Hα-helixtrans-69.2-33.3176.200000112D333 K338 K339D333-A336 HydrophobicContact CB-CB 3.9Å; D333-A336 PolarHBondContact O-N 2.82Å; D333-A336 PolarHBondContact OD1-N 3.22Å; A336-K338 VanDerWaalsContact C-N 3.34Å; A336-K338 PolarHBondContact O-N 3.48Å; A336-K339 WeakPolarHBondContact O-CG 2.77Å
337L89.3Confident91Very high1 Ų145.4 Ų45.41%0.00524%0.243CC..Hα-helixtrans-69.4-29.4-177.9-169.174.5000112.8D333 V335 K339 Y340 F341 H465 I529 L533 L537D333-L337 WeakPolarHBondContact O-CB 3.42Å; D333-L337 PolarHBondContact O-N 3.07Å; V335-L337 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 3.38Å; L337-Y340 HydrophobicContact CD1-CD2 4.1Å; L337-Y340 WeakPolarHBondContact O-CB 3.37Å; L337-Y340 WeakPolarHBondContact O-CD2 3.47Å; L337-Y340 PolarHBondContact O-N 3.47Å; L337-F341 HydrophobicContact CD2-CE2 3.75Å; L337-F341 HydrophobicContact CD2-CZ 4.38Å; L337-F341 HydrophobicContact CG-CD2 4.49Å; L337-F341 HydrophobicContact CG-CE2 3.68Å; L337-F341 HydrophobicContact CG-CZ 4.5Å; L337-H465 HydrophobicContact CD2-CB 4.12Å; L337-I529 HydrophobicContact CD1-CG2 4.5Å; L337-L533 HydrophobicContact CD1-CD1 4.19Å; L337-L533 HydrophobicContact CD1-CD2 3.67Å; L337-L533 HydrophobicContact CD1-CG 3.79Å; L337-L537 HydrophobicContact CD2-CD1 3.66Å; L337-L537 HydrophobicContact CD2-CD2 3.9Å; L337-L537 HydrophobicContact CD2-CG 4.28Å
338K89.2Confident91.1Very high74 Ų7444.6 Ų44.632%0.32225%0.245SC..G310 helixtrans-53.4-30.8-175.484.1-171.8177.2174.90114.2E334 V335 A336 Y340 F341 F462 L463 L464E334-K338 PolarHBondContact O-N 2.63Å; V335-K338 WeakPolarHBondContact O-CD 3.46Å; V335-K338 VanDerWaalsContact O-CG 3.24Å; V335-K338 WeakPolarHBondContact O-CG 3.39Å; A336-K338 VanDerWaalsContact C-N 3.34Å; A336-K338 PolarHBondContact O-N 3.48Å; K338-Y340 PolarHBondContact O-N 3.34Å; K338-Y340 VanDerWaalsContact O-N 3.09Å; K338-F341 PolarHBondContact O-N 2.85Å; K338-F462 HydrophobicContact CB-CB 4.37Å; K338-F462 HydrophobicContact CG-CB 4.06Å; K338-F462 WeakPolarHBondContact O-CB 3.5Å; K338-F462 WeakPolarHBondContact O-CD1 3.41Å; K338-L463 WeakPolarHBondContact CA-O 3.38Å; K338-L463 WeakPolarHBondContact CB-O 3.07Å; K338-L464 HydrophobicContact CB-CD2 4.22Å
339K89Confident91.3Very high102 Ų10239.9 Ų39.944%0.44323%0.227SC..G310 helixtrans-58.5-24.8179.775.3-179.1-176.5162.10113.2A336 L337 F341 F462A336-K339 WeakPolarHBondContact O-CG 2.77Å; L337-K339 PolarHBondContact O-N 3.38Å; K339-F341 VanDerWaalsContact C-N 3.3Å; K339-F462 WeakPolarHBondContact O-CD1 3.38Å; K339-F462 VanDerWaalsContact O-CE1 3.29Å; K339-F462 WeakPolarHBondContact O-CE1 3.26Å
340Y93.6Very high91.4Very high17 Ų1736.5 Ų36.57%0.06721%0.209CC..G310 helixtrans-84.4-3.6178.7-62.5-69.3000113.9L337 K338 P342 N525 D527 I529 P530 L533L337-Y340 HydrophobicContact CD1-CD2 4.1Å; L337-Y340 WeakPolarHBondContact O-CB 3.37Å; L337-Y340 WeakPolarHBondContact O-CD2 3.47Å; L337-Y340 PolarHBondContact O-N 3.47Å; K338-Y340 PolarHBondContact O-N 3.34Å; K338-Y340 VanDerWaalsContact O-N 3.09Å; Y340-P342 WeakPolarHBondContact O-CD 3.45Å; Y340-N525 PolarHBondContact O-ND2 2.92Å; Y340-D527 WeakPolarHBondContact CD1-O 3.32Å; Y340-I529 HydrophobicContact CD1-CG1 4.06Å; Y340-I529 HydrophobicContact CD2-CG1 4.27Å; Y340-I529 HydrophobicContact CG-CB 4.47Å; Y340-I529 HydrophobicContact CG-CG1 3.71Å; Y340-P530 VanDerWaalsContact CZ-CD 3.44Å; Y340-P530 WeakPolarHBondContact OH-CD 3.33Å; Y340-L533 HydrophobicContact CD2-CD2 4.24Å; Y340-L533 HydrophobicContact CE2-CD2 3.62Å
341F94.3Very high91.6Very high0 Ų034.7 Ų34.70%020%0.203CC..  trans-120.263.2179.2-56.6-72.9000112L337 K338 K339 L343 V346 F462 L463 H465 V468 L518 L522 I529 L537L337-F341 HydrophobicContact CD2-CE2 3.75Å; L337-F341 HydrophobicContact CD2-CZ 4.38Å; L337-F341 HydrophobicContact CG-CD2 4.49Å; L337-F341 HydrophobicContact CG-CE2 3.68Å; L337-F341 HydrophobicContact CG-CZ 4.5Å; K338-F341 PolarHBondContact O-N 2.85Å; K339-F341 VanDerWaalsContact C-N 3.3Å; F341-L343 PolarHBondContact O-N 3.35Å; F341-V346 HydrophobicContact CB-CG2 3.96Å; F341-V346 HydrophobicContact CD1-CG2 4.3Å; F341-F462 WeakPolarHBondContact O-CA 3.47Å; F341-L463 HydrophobicContact CB-CB 4.2Å; F341-L463 WeakPolarHBondContact CB-O 3.38Å; F341-L463 PolarHBondContact O-N 3Å; F341-H465 HydrophobicContact CE2-CB 4.01Å; F341-H465 HydrophobicContact CZ-CB 4.34Å; F341-H465 AromaticContact CZ-CD2 3.81Å; F341-V468 HydrophobicContact CB-CG2 3.92Å; F341-V468 HydrophobicContact CD1-CG2 3.8Å; F341-V468 HydrophobicContact CE1-CG2 4.43Å; F341-V468 HydrophobicContact CG-CG2 3.86Å; F341-L518 HydrophobicContact CE1-CD2 4.12Å; F341-L522 HydrophobicContact CD1-CD1 3.88Å; F341-L522 HydrophobicContact CD1-CD2 4.06Å; F341-L522 HydrophobicContact CE1-CD1 3.7Å; F341-I529 HydrophobicContact CE1-CD1 4.12Å; F341-I529 HydrophobicContact CZ-CD1 3.88Å; F341-L537 HydrophobicContact CZ-CD2 4.2Å
342P92.9Very high91.8Very high16 Ų1634.3 Ų34.310%0.10419%0.19CC..BIsolated β-bridgetrans-56.4129.7169.1-17.728.6000110Y340 A344 T345 V346 G461 F462Y340-P342 WeakPolarHBondContact O-CD 3.45Å; P342-A344 PolarHBondContact O-N 3.37Å; P342-T345 WeakPolarHBondContact O-CB 3.27Å; P342-T345 PolarHBondContact O-N 3.39Å; P342-V346 PolarHBondContact O-N 3.4Å; P342-G461 CarbonylContact C-O 3.45Å; P342-G461 WeakPolarHBondContact CA-O 3.5Å; P342-F462 HydrophobicContact CB-CE1 4.4Å; P342-F462 HydrophobicContact CG-CD1 4.35Å; P342-F462 HydrophobicContact CG-CE1 4.05Å
343L93.1Very high92.1Very high12 Ų1234.7 Ų34.76%0.06319%0.192CC..Hα-helixtrans-54.6-40.1-177170.762000112F341 T345 V346 K347 L396 H397 F451 G461 L463 F471F341-L343 PolarHBondContact O-N 3.35Å; L343-T345 PolarHBondContact O-N 2.9Å; L343-V346 PolarHBondContact O-N 2.95Å; L343-K347 VanDerWaalsContact O-CB 3.27Å; L343-K347 WeakPolarHBondContact O-CB 3.17Å; L343-K347 PolarHBondContact O-N 2.9Å; L343-L396 HydrophobicContact CD1-CD1 4.42Å; L343-H397 VanDerWaalsContact CD2-CE1 3.44Å; L343-H397 WeakPolarHBondContact CD2-CE1 3.31Å; L343-F451 HydrophobicContact CD1-CD2 4.14Å; L343-G461 PolarHBondContact N-O 3.02Å; L343-L463 HydrophobicContact CB-CG 4.35Å; L343-L463 HydrophobicContact CD1-CD1 3.87Å; L343-L463 HydrophobicContact CD1-CD2 4.19Å; L343-L463 HydrophobicContact CD1-CG 4.26Å; L343-F471 HydrophobicContact CD1-CE1 4.2Å
344A91.6Very high92.5Very high72 Ų7231.4 Ų31.460%0.59517%0.174SC*.Hα-helixtrans-61.6-43.217800000112.1P342 S348P342-A344 PolarHBondContact O-N 3.37Å; A344-S348 VanDerWaalsContact O-CB 3.22Å; A344-S348 WeakPolarHBondContact O-CB 3.25Å; A344-S348 PolarHBondContact O-N 3.44Å
345T94.3Very high93.3Very high19 Ų1931.4 Ų31.412%0.11717%0.174CC..Hα-helixtrans-64.3-50.8176.1-57.40000110.6P342 L343 K347 S348 G349 L522 N525P342-T345 WeakPolarHBondContact O-CB 3.27Å; P342-T345 PolarHBondContact O-N 3.39Å; L343-T345 PolarHBondContact O-N 2.9Å; T345-K347 PolarHBondContact O-N 3.3Å; T345-S348 PolarHBondContact O-N 3.5Å; T345-G349 PolarHBondContact O-N 2.89Å; T345-L522 HydrophobicContact CG2-CD2 3.97Å; T345-N525 HydrophobicContact CG2-CB 3.89Å
346V95.8Very high94.1Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-59.1-48.4-179.9173.10000111.1F341 P342 L343 S348 G349 I350 L463 V468 F471 L521 L522F341-V346 HydrophobicContact CB-CG2 3.96Å; F341-V346 HydrophobicContact CD1-CG2 4.3Å; P342-V346 PolarHBondContact O-N 3.4Å; L343-V346 PolarHBondContact O-N 2.95Å; V346-S348 VanDerWaalsContact C-N 3.34Å; V346-S348 PolarHBondContact O-N 3.18Å; V346-G349 PolarHBondContact O-N 2.79Å; V346-I350 HydrophobicContact CG1-CD1 3.78Å; V346-I350 HydrophobicContact CG1-CG1 4.39Å; V346-I350 WeakPolarHBondContact O-CB 3.49Å; V346-I350 WeakPolarHBondContact O-CG1 3.31Å; V346-I350 PolarHBondContact O-N 2.92Å; V346-L463 HydrophobicContact CB-CD1 4.16Å; V346-L463 HydrophobicContact CG1-CD1 3.95Å; V346-L463 HydrophobicContact CG2-CD1 4.33Å; V346-V468 HydrophobicContact CG1-CB 4.5Å; V346-V468 HydrophobicContact CG1-CG1 3.88Å; V346-V468 HydrophobicContact CG1-CG2 4.21Å; V346-V468 HydrophobicContact CG2-CG2 3.99Å; V346-F471 HydrophobicContact CG1-CD1 4.08Å; V346-L521 HydrophobicContact CG1-CD1 4.5Å; V346-L522 HydrophobicContact CG2-CD2 4.1Å
347K95.8Very high94.6Very high43 Ų4330.4 Ų30.419%0.18716%0.157CC..Hα-helixtrans-56.6-49.5176.6-178.5174.971.4172.90111L343 T345 G349 I350 L351 E376 L394 L396 F471L343-K347 VanDerWaalsContact O-CB 3.27Å; L343-K347 WeakPolarHBondContact O-CB 3.17Å; L343-K347 PolarHBondContact O-N 2.9Å; T345-K347 PolarHBondContact O-N 3.3Å; K347-G349 VanDerWaalsContact C-N 3.34Å; K347-G349 PolarHBondContact O-N 3.28Å; K347-I350 PolarHBondContact O-N 3.29Å; K347-L351 HydrophobicContact CG-CD1 4.23Å; K347-L351 VanDerWaalsContact O-CG 3.25Å; K347-L351 WeakPolarHBondContact O-CG 3.38Å; K347-L351 PolarHBondContact O-N 3.24Å; K347-E376 VanDerWaalsContact NZ-CD 3.27Å; K347-E376 IonicContact NZ-OE1 3.84Å; K347-E376 PolarHBondContact NZ-OE1 3.19Å; K347-E376 VanDerWaalsContact NZ-OE1 3.15Å; K347-E376 IonicContact NZ-OE2 2.7Å; K347-E376 PolarHBondContact NZ-OE2 3.15Å; K347-L394 HydrophobicContact CD-CD1 4.11Å; K347-L394 HydrophobicContact CG-CD1 4.38Å; K347-L396 HydrophobicContact CD-CD1 4.07Å; K347-F471 HydrophobicContact CB-CE1 3.98Å; K347-F471 HydrophobicContact CB-CZ 4.25Å; K347-F471 HydrophobicContact CG-CE1 4.35Å; K347-F471 HydrophobicContact CG-CZ 4.12Å
348S96Very high95Very high49 Ų4930.3 Ų30.334%0.34316%0.157SC..Hα-helixtrans-62.2-41.9-178.8-164.70000112A344 T345 V346 L351 R352A344-S348 VanDerWaalsContact O-CB 3.22Å; A344-S348 WeakPolarHBondContact O-CB 3.25Å; A344-S348 PolarHBondContact O-N 3.44Å; T345-S348 PolarHBondContact O-N 3.5Å; V346-S348 VanDerWaalsContact C-N 3.34Å; V346-S348 PolarHBondContact O-N 3.18Å; S348-L351 PolarHBondContact O-N 3.08Å; S348-R352 WeakPolarHBondContact O-CG 3.5Å; S348-R352 PolarHBondContact O-N 2.81Å; S348-R352 PolarHBondContact O-NH1 3.06Å; S348-R352 PolarHBondContact OG-NH1 3.33Å
349G97.2Very high95.4Very high0 Ų027.1 Ų27.10%015%0.145CC..Hα-helixtrans-69.5-40.9177.500000113.8T345 V346 K347 L351 R352 L353 L521T345-G349 PolarHBondContact O-N 2.89Å; V346-G349 PolarHBondContact O-N 2.79Å; K347-G349 VanDerWaalsContact C-N 3.34Å; K347-G349 PolarHBondContact O-N 3.28Å; G349-L351 PolarHBondContact O-N 3.45Å; G349-R352 PolarHBondContact O-N 3.43Å; G349-L353 WeakPolarHBondContact O-CB 3.42Å; G349-L353 WeakPolarHBondContact O-CG 3.36Å; G349-L353 PolarHBondContact O-N 3.36Å; G349-L521 WeakPolarHBondContact CA-O 3.33Å
350I97.4Very high95.9Very high0 Ų022.6 Ų22.60%013%0.125CC..Hα-helixtrans-55.3-53.5171-76.7171.8000109.5V346 K347 R352 L353 Y354 F471 F472 F475 L521V346-I350 HydrophobicContact CG1-CD1 3.78Å; V346-I350 HydrophobicContact CG1-CG1 4.39Å; V346-I350 WeakPolarHBondContact O-CB 3.49Å; V346-I350 WeakPolarHBondContact O-CG1 3.31Å; V346-I350 PolarHBondContact O-N 2.92Å; K347-I350 PolarHBondContact O-N 3.29Å; I350-R352 VanDerWaalsContact C-N 3.31Å; I350-R352 PolarHBondContact O-N 2.74Å; I350-L353 PolarHBondContact O-N 2.84Å; I350-Y354 HydrophobicContact CG2-CD2 3.78Å; I350-Y354 HydrophobicContact CG2-CE2 3.92Å; I350-Y354 VanDerWaalsContact O-CD2 3.32Å; I350-Y354 WeakPolarHBondContact O-CD2 3.42Å; I350-Y354 PolarHBondContact O-N 3.01Å; I350-F471 HydrophobicContact CD1-CB 3.67Å; I350-F471 HydrophobicContact CD1-CD1 3.5Å; I350-F471 VanDerWaalsContact CD1-CD1 3.5Å; I350-F471 HydrophobicContact CD1-CD2 3.64Å; I350-F471 HydrophobicContact CD1-CE1 4Å; I350-F471 HydrophobicContact CD1-CE2 4.13Å; I350-F471 HydrophobicContact CD1-CG 3.3Å; I350-F471 HydrophobicContact CD1-CZ 4.29Å; I350-F472 HydrophobicContact CB-CE2 4.49Å; I350-F472 HydrophobicContact CD1-CD2 3.83Å; I350-F472 HydrophobicContact CD1-CE2 4.14Å; I350-F472 HydrophobicContact CG1-CD2 3.58Å; I350-F472 HydrophobicContact CG1-CE2 3.37Å; I350-F472 HydrophobicContact CG1-CZ 4.17Å; I350-F475 HydrophobicContact CG2-CB 4.08Å; I350-F475 HydrophobicContact CG2-CD1 4Å; I350-F475 HydrophobicContact CG2-CD2 3.9Å; I350-F475 HydrophobicContact CG2-CE1 4.41Å; I350-F475 HydrophobicContact CG2-CE2 4.34Å; I350-F475 HydrophobicContact CG2-CG 3.7Å; I350-L521 HydrophobicContact CG1-CD1 3.83Å
351L97.8Very high96.1Very high16 Ų1626 Ų268%0.08414%0.14CC..Hα-helixtrans-58.4-41.6-179.7-66.8176.6000111.9K347 S348 G349 Q355 F362 Y378 F392 F475K347-L351 HydrophobicContact CG-CD1 4.23Å; K347-L351 VanDerWaalsContact O-CG 3.25Å; K347-L351 WeakPolarHBondContact O-CG 3.38Å; K347-L351 PolarHBondContact O-N 3.24Å; S348-L351 PolarHBondContact O-N 3.08Å; G349-L351 PolarHBondContact O-N 3.45Å; L351-Q355 WeakPolarHBondContact O-CB 3.29Å; L351-Q355 WeakPolarHBondContact O-CG 3.24Å; L351-Q355 PolarHBondContact O-N 3.43Å; L351-Q355 PolarHBondContact O-NE2 2.84Å; L351-F362 HydrophobicContact CB-CD2 4.14Å; L351-F362 HydrophobicContact CD2-CD2 3.73Å; L351-F362 HydrophobicContact CD2-CE2 4.19Å; L351-F362 WeakPolarHBondContact O-CE2 3.49Å; L351-Y378 HydrophobicContact CD1-CE1 3.92Å; L351-F392 HydrophobicContact CD2-CE2 4.21Å; L351-F392 HydrophobicContact CD2-CZ 3.72Å; L351-F475 HydrophobicContact CD2-CE2 3.74Å; L351-F475 HydrophobicContact CD2-CZ 3.61Å
352R97.2Very high96.3Very high67 Ų6726.9 Ų26.925%0.25314%0.144SC..Hα-helixtrans-64.5-48.5175.8-79.4-167.3-61.8-72.7-0.8112.5S348 G349 I350 Y354 Q355 Q356 D523 T524S348-R352 WeakPolarHBondContact O-CG 3.5Å; S348-R352 PolarHBondContact O-N 2.81Å; S348-R352 PolarHBondContact O-NH1 3.06Å; S348-R352 PolarHBondContact OG-NH1 3.33Å; G349-R352 PolarHBondContact O-N 3.43Å; I350-R352 VanDerWaalsContact C-N 3.31Å; I350-R352 PolarHBondContact O-N 2.74Å; R352-Y354 PolarHBondContact O-N 2.79Å; R352-Q355 WeakPolarHBondContact O-CB 3.5Å; R352-Q355 PolarHBondContact O-N 3.24Å; R352-Q356 PolarHBondContact O-N 3.44Å; R352-D523 IonicContact CZ-OD1 3.75Å; R352-D523 IonicContact NE-OD1 3.09Å; R352-D523 PolarHBondContact NE-OD1 3.05Å; R352-D523 IonicContact NE-OD2 3.56Å; R352-D523 IonicContact NH2-OD1 2.63Å; R352-D523 PolarHBondContact NH2-OD1 3.21Å; R352-T524 PolarHBondContact NH2-OG1 2.92Å
353L96.7Very high96.5Very high11 Ų1130.6 Ų30.66%0.05816%0.16CC..Hα-helixtrans-61.7-46.2-176.2-82.2173.4000111.6G349 I350 Q356 L357 F472 A520 L521 L635G349-L353 WeakPolarHBondContact O-CB 3.42Å; G349-L353 WeakPolarHBondContact O-CG 3.36Å; G349-L353 PolarHBondContact O-N 3.36Å; I350-L353 PolarHBondContact O-N 2.84Å; L353-Q356 PolarHBondContact O-N 3.27Å; L353-L357 VanDerWaalsContact O-CB 3.26Å; L353-L357 WeakPolarHBondContact O-CB 3.47Å; L353-L357 PolarHBondContact O-N 2.95Å; L353-F472 HydrophobicContact CB-CZ 4.49Å; L353-F472 HydrophobicContact CD1-CE2 4.43Å; L353-F472 HydrophobicContact CD1-CZ 3.74Å; L353-A520 HydrophobicContact CD2-CB 3.76Å; L353-L521 HydrophobicContact CD1-CB 3.85Å; L353-L521 HydrophobicContact CD1-CD1 4.38Å; L353-L635 HydrophobicContact CD2-CD2 3.64Å
354Y97.1Very high96.8Very high2 Ų237.2 Ų37.21%0.00818%0.184CC..Hα-helixtrans-66.8-37.1177.7-82.1-81.4000113I350 R352 Q356 L358 F472 F475 G476 M479 L508I350-Y354 HydrophobicContact CG2-CD2 3.78Å; I350-Y354 HydrophobicContact CG2-CE2 3.92Å; I350-Y354 VanDerWaalsContact O-CD2 3.32Å; I350-Y354 WeakPolarHBondContact O-CD2 3.42Å; I350-Y354 PolarHBondContact O-N 3.01Å; R352-Y354 PolarHBondContact O-N 2.79Å; Y354-Q356 VanDerWaalsContact C-N 3.34Å; Y354-Q356 PolarHBondContact O-N 3.35Å; Y354-L358 HydrophobicContact CD1-CD1 3.9Å; Y354-L358 HydrophobicContact CD1-CG 4.43Å; Y354-L358 WeakPolarHBondContact O-CB 3.45Å; Y354-L358 PolarHBondContact O-N 3.46Å; Y354-F472 AromaticContact CE2-CD1 3.96Å; Y354-F472 HydrophobicContact CE2-CD1 3.96Å; Y354-F472 AromaticContact CE2-CE1 3.81Å; Y354-F472 HydrophobicContact CE2-CE1 3.81Å; Y354-F472 HydrophobicContact CE2-CZ 4.39Å; Y354-F472 PolarHBondContact OH-O 3.23Å; Y354-F475 AromaticContact CD1-CD1 3.91Å; Y354-F475 HydrophobicContact CD1-CD1 3.91Å; Y354-F475 HydrophobicContact CD1-CE1 4.21Å; Y354-F475 AromaticContact CD2-CD1 3.21Å; Y354-F475 HydrophobicContact CD2-CD1 3.21Å; Y354-F475 AromaticContact CD2-CE1 3.64Å; Y354-F475 HydrophobicContact CD2-CE1 3.64Å; Y354-F475 HydrophobicContact CD2-CG 4.11Å; Y354-F475 HydrophobicContact CE1-CD1 4.02Å; Y354-F475 HydrophobicContact CE2-CB 3.87Å; Y354-F475 AromaticContact CE2-CD1 3.37Å; Y354-F475 HydrophobicContact CE2-CD1 3.37Å; Y354-F475 HydrophobicContact CE2-CE1 4.26Å; Y354-F475 AromaticContact CE2-CG 3.96Å; Y354-F475 HydrophobicContact CE2-CG 3.96Å; Y354-F475 AromaticContact CG-CD1 3.48Å; Y354-F475 HydrophobicContact CG-CD1 3.48Å; Y354-F475 VanDerWaalsContact CG-CD1 3.48Å; Y354-F475 AromaticContact CG-CE1 3.59Å; Y354-F475 HydrophobicContact CG-CE1 3.59Å; Y354-F475 AromaticContact CZ-CD1 3.76Å; Y354-G476 PolarHBondContact OH-N 3.4Å; Y354-M479 HydrophobicContact CD1-CB 4.47Å; Y354-M479 HydrophobicContact CD1-CG 3.63Å; Y354-M479 HydrophobicContact CE1-CG 4Å; Y354-M479 HydrophobicContact CG-CG 4.28Å; Y354-L508 HydrophobicContact CE1-CD1 3.71Å; Y354-L508 HydrophobicContact CE1-CD2 3.91Å; Y354-L508 HydrophobicContact CE1-CG 4.35Å; Y354-L508 WeakPolarHBondContact OH-CB 3.34Å; Y354-L508 WeakPolarHBondContact OH-CD1 3.41Å
355Q97.8Very high97Very high48 Ų4835.3 Ų35.322%0.22417%0.165CC..Hα-helixtrans-59.1-46.2171.7-77.7174103.900111.6L351 R352 G359 L360 F362L351-Q355 WeakPolarHBondContact O-CB 3.29Å; L351-Q355 WeakPolarHBondContact O-CG 3.24Å; L351-Q355 PolarHBondContact O-N 3.43Å; L351-Q355 PolarHBondContact O-NE2 2.84Å; R352-Q355 WeakPolarHBondContact O-CB 3.5Å; R352-Q355 PolarHBondContact O-N 3.24Å; Q355-G359 CarbonylContact O-C 3.5Å; Q355-G359 WeakPolarHBondContact O-CA 3.34Å; Q355-G359 PolarHBondContact O-N 2.85Å; Q355-L360 VanDerWaalsContact CB-O 3.26Å; Q355-L360 WeakPolarHBondContact CB-O 3.22Å; Q355-L360 WeakPolarHBondContact CG-O 3.3Å; Q355-L360 PolarHBondContact O-N 3.42Å; Q355-F362 HydrophobicContact CG-CB 4.21Å; Q355-F362 HydrophobicContact CG-CD1 4.06Å; Q355-F362 HydrophobicContact CG-CD2 3.39Å; Q355-F362 HydrophobicContact CG-CE1 4.25Å; Q355-F362 HydrophobicContact CG-CE2 3.62Å; Q355-F362 HydrophobicContact CG-CG 3.62Å; Q355-F362 HydrophobicContact CG-CZ 4.03Å
356Q95.3Very high96.9Very high81 Ų8138.8 Ų38.838%0.37919%0.19SC..Hα-helixtrans-65.2-49.4178.9172.9170.9-25.900112R352 L353 Y354 L635 K637R352-Q356 PolarHBondContact O-N 3.44Å; L353-Q356 PolarHBondContact O-N 3.27Å; Y354-Q356 VanDerWaalsContact C-N 3.34Å; Y354-Q356 PolarHBondContact O-N 3.35Å; Q356-L635 PolarHBondContact NE2-O 3.22Å; Q356-K637 HydrophobicContact CG-CD 4.24Å; Q356-K637 HydrophobicContact CG-CG 3.97Å
357L95.9Very high96.6Very high8 Ų845 Ų454%0.04222%0.223CC..Hα-helixtrans-65.1-47.6-173.1-169.367.6000111.1L353 L508 W511 F626 G640 R641L353-L357 VanDerWaalsContact O-CB 3.26Å; L353-L357 WeakPolarHBondContact O-CB 3.47Å; L353-L357 PolarHBondContact O-N 2.95Å; L357-L508 HydrophobicContact CD2-CD2 3.93Å; L357-W511 HydrophobicContact CD1-CH2 4.37Å; L357-W511 HydrophobicContact CD1-CZ2 3.72Å; L357-W511 HydrophobicContact CD2-CH2 3.94Å; L357-W511 HydrophobicContact CD2-CZ2 3.64Å; L357-W511 HydrophobicContact CG-CZ2 4.34Å; L357-F626 HydrophobicContact CD1-CD1 4.33Å; L357-F626 HydrophobicContact CD1-CE1 3.56Å; L357-F626 HydrophobicContact CD1-CZ 4.28Å; L357-F626 HydrophobicContact CG-CE1 4.37Å; L357-G640 CarbonylContact O-C 3.53Å; L357-G640 WeakPolarHBondContact O-CA 3.37Å; L357-R641 PolarHBondContact O-N 3.44Å
358L97.4Very high96.5Very high0 Ų043.4 Ų43.40%022%0.219CC..Hα-helixtrans-93.9-3-172.8-53.7-176.4000112.7Y354 L360 M479 R641 Y643 R644 L648Y354-L358 HydrophobicContact CD1-CD1 3.9Å; Y354-L358 HydrophobicContact CD1-CG 4.43Å; Y354-L358 WeakPolarHBondContact O-CB 3.45Å; Y354-L358 PolarHBondContact O-N 3.46Å; L358-L360 HydrophobicContact CB-CD1 3.63Å; L358-L360 HydrophobicContact CB-CG 3.79Å; L358-L360 HydrophobicContact CD1-CD1 3.94Å; L358-L360 HydrophobicContact CG-CD1 4.43Å; L358-M479 HydrophobicContact CD1-CB 3.72Å; L358-M479 HydrophobicContact CD1-CG 3.65Å; L358-M479 HydrophobicContact CD1-SD 3.89Å; L358-R641 PolarHBondContact O-NH1 3.21Å; L358-Y643 HydrophobicContact CD2-CD1 3.67Å; L358-Y643 HydrophobicContact CD2-CE1 3.97Å; L358-R644 HydrophobicContact CD2-CB 4.18Å; L358-R644 VanDerWaalsContact O-CD 3.23Å; L358-R644 WeakPolarHBondContact O-CD 3.33Å; L358-R644 PolarHBondContact O-NH1 3.46Å; L358-L648 HydrophobicContact CD1-CD1 4.23Å; L358-L648 HydrophobicContact CD2-CD1 4.3Å
359G97.6Very high96.4Very high7 Ų741.9 Ų41.97%0.07221%0.206CC..THydrogen-bonded Turntrans51.164.9-171.400000112Q355 S383 R641 R644Q355-G359 CarbonylContact O-C 3.5Å; Q355-G359 WeakPolarHBondContact O-CA 3.34Å; Q355-G359 PolarHBondContact O-N 2.85Å; G359-S383 VanDerWaalsContact C-OG 3.23Å; G359-S383 PolarHBondContact O-N 3.26Å; G359-S383 VanDerWaalsContact O-N 3.09Å; G359-S383 PolarHBondContact O-OG 2.96Å; G359-S383 VanDerWaalsContact O-OG 3.04Å; G359-R641 VanDerWaalsContact C-NH1 3.31Å; G359-R641 PolarHBondContact O-NH1 3.3Å; G359-R641 PolarHBondContact O-NH2 3.45Å; G359-R644 PolarHBondContact O-NH1 2.91Å
360L98.5Very high96.4Very high7 Ų743.1 Ų43.14%0.03721%0.213CC..EExtended strand (participates in β ladder)trans-121.9164.9-179.6-61.6174000109.7Q355 L358 F362 V380 S381 L389 M479 R644Q355-L360 VanDerWaalsContact CB-O 3.26Å; Q355-L360 WeakPolarHBondContact CB-O 3.22Å; Q355-L360 WeakPolarHBondContact CG-O 3.3Å; Q355-L360 PolarHBondContact O-N 3.42Å; L358-L360 HydrophobicContact CB-CD1 3.63Å; L358-L360 HydrophobicContact CB-CG 3.79Å; L358-L360 HydrophobicContact CD1-CD1 3.94Å; L358-L360 HydrophobicContact CG-CD1 4.43Å; L360-F362 HydrophobicContact CB-CD1 4.35Å; L360-F362 HydrophobicContact CB-CE1 3.69Å; L360-F362 HydrophobicContact CB-CZ 4.23Å; L360-F362 HydrophobicContact CD1-CE1 3.81Å; L360-F362 HydrophobicContact CD1-CZ 4.07Å; L360-F362 HydrophobicContact CG-CE1 4.39Å; L360-V380 HydrophobicContact CB-CG1 4.39Å; L360-V380 HydrophobicContact CD1-CG1 4.02Å; L360-V380 HydrophobicContact CD2-CG1 4.07Å; L360-V380 HydrophobicContact CG-CG1 4.39Å; L360-S381 CarbonylContact C-O 3.4Å; L360-S381 WeakPolarHBondContact CA-O 3.48Å; L360-L389 HydrophobicContact CD2-CD1 3.5Å; L360-M479 HydrophobicContact CD1-SD 3.71Å; L360-R644 VanDerWaalsContact CD2-NH1 3.33Å
361K98.5Very high96.3Very high88 Ų8843.9 Ų43.938%0.38322%0.216SC..EExtended strand (participates in β ladder)trans-125.4127.1169.9-172.6-178.3178.2-161.60108.6E363 V380 S381K361-E363 WeakPolarHBondContact CE-OE1 3.3Å; K361-E363 HydrophobicContact CG-CG 4.38Å; K361-E363 IonicContact NZ-OE1 3.35Å; K361-E363 PolarHBondContact NZ-OE1 3.15Å; K361-V380 WeakPolarHBondContact O-CA 3.4Å; K361-S381 PolarHBondContact N-O 3.24Å; K361-S381 PolarHBondContact O-N 2.61Å
362F98.5Very high96.2Very high18 Ų1844.9 Ų44.98%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-109.5126.1176.6-54.8-27.3000109.9L351 Q355 L360 Y378 S379 V380 F392 F475 M479L351-F362 HydrophobicContact CB-CD2 4.14Å; L351-F362 HydrophobicContact CD2-CD2 3.73Å; L351-F362 HydrophobicContact CD2-CE2 4.19Å; L351-F362 WeakPolarHBondContact O-CE2 3.49Å; Q355-F362 HydrophobicContact CG-CB 4.21Å; Q355-F362 HydrophobicContact CG-CD1 4.06Å; Q355-F362 HydrophobicContact CG-CD2 3.39Å; Q355-F362 HydrophobicContact CG-CE1 4.25Å; Q355-F362 HydrophobicContact CG-CE2 3.62Å; Q355-F362 HydrophobicContact CG-CG 3.62Å; Q355-F362 HydrophobicContact CG-CZ 4.03Å; L360-F362 HydrophobicContact CB-CD1 4.35Å; L360-F362 HydrophobicContact CB-CE1 3.69Å; L360-F362 HydrophobicContact CB-CZ 4.23Å; L360-F362 HydrophobicContact CD1-CE1 3.81Å; L360-F362 HydrophobicContact CD1-CZ 4.07Å; L360-F362 HydrophobicContact CG-CE1 4.39Å; F362-Y378 HydrophobicContact CB-CD1 4.42Å; F362-S379 VanDerWaalsContact CA-O 3.31Å; F362-S379 WeakPolarHBondContact CA-O 3.46Å; F362-V380 HydrophobicContact CD1-CB 4.27Å; F362-V380 HydrophobicContact CD1-CG1 4.02Å; F362-V380 HydrophobicContact CD1-CG2 3.81Å; F362-V380 HydrophobicContact CE1-CB 4.35Å; F362-V380 HydrophobicContact CE1-CG1 3.72Å; F362-V380 HydrophobicContact CE1-CG2 3.92Å; F362-F392 HydrophobicContact CD1-CE1 4.05Å; F362-F392 HydrophobicContact CD2-CE1 4.38Å; F362-F392 HydrophobicContact CD2-CZ 4.35Å; F362-F392 HydrophobicContact CE1-CE1 4.31Å; F362-F392 HydrophobicContact CG-CE1 4.11Å; F362-F392 HydrophobicContact CG-CZ 4.34Å; F362-F475 HydrophobicContact CD2-CZ 4.45Å; F362-F475 AromaticContact CE2-CE1 3.91Å; F362-F475 HydrophobicContact CE2-CE1 3.91Å; F362-F475 AromaticContact CE2-CZ 3.8Å; F362-F475 HydrophobicContact CE2-CZ 3.8Å; F362-F475 HydrophobicContact CZ-CE1 4.13Å; F362-F475 HydrophobicContact CZ-CZ 4.25Å; F362-M479 HydrophobicContact CE1-CE 4.22Å; F362-M479 HydrophobicContact CE1-SD 4.07Å; F362-M479 HydrophobicContact CZ-CE 3.98Å; F362-M479 HydrophobicContact CZ-SD 3.64Å
363E97.8Very high96Very high94 Ų9450.2 Ų50.244%0.43925%0.248SC..EExtended strand (participates in β ladder)trans-125.8128.7175.1-59.4-176.515100110.2K361 V365 Y378 S379K361-E363 WeakPolarHBondContact CE-OE1 3.3Å; K361-E363 HydrophobicContact CG-CG 4.38Å; K361-E363 IonicContact NZ-OE1 3.35Å; K361-E363 PolarHBondContact NZ-OE1 3.15Å; E363-V365 PolarHBondContact O-N 3.41Å; E363-Y378 CarbonylContact O-C 3.56Å; E363-Y378 VanDerWaalsContact O-CA 3.25Å; E363-Y378 WeakPolarHBondContact O-CA 3.38Å; E363-S379 PolarHBondContact N-O 2.92Å; E363-S379 PolarHBondContact O-N 3.45Å; E363-S379 PolarHBondContact O-OG 3.24Å
364R97.4Very high95.8Very high151 Ų15153.7 Ų53.757%0.5726%0.264SS*.EExtended strand (participates in β ladder)trans-66.4127.8175.4-175.1177.5176.1155.85.1109.3S366 E376 Y378R364-S366 PolarHBondContact O-N 2.94Å; R364-E376 IonicContact CZ-OE1 2.63Å; R364-E376 IonicContact NH1-OE1 3.48Å; R364-E376 PolarHBondContact NH1-OE1 3.29Å; R364-E376 IonicContact NH2-OE1 3.69Å; R364-E376 PolarHBondContact NH2-OE1 3.3Å; R364-Y378 HydrophobicContact CB-CD1 4.08Å; R364-Y378 HydrophobicContact CB-CE1 3.78Å; R364-Y378 HydrophobicContact CG-CE1 4.41Å
365V96.6Very high95.8Very high32 Ų3254 Ų5419%0.19427%0.266CS..  trans-81.4113.5177-176.90000109E363 A368 M377 Y391E363-V365 PolarHBondContact O-N 3.41Å; V365-A368 HydrophobicContact CB-CB 4.15Å; V365-A368 HydrophobicContact CG1-CB 3.97Å; V365-M377 HydrophobicContact CB-CB 4.3Å; V365-M377 HydrophobicContact CB-CG 4.34Å; V365-M377 HydrophobicContact CB-SD 4.45Å; V365-M377 HydrophobicContact CG2-CG 4.21Å; V365-M377 HydrophobicContact CG2-SD 4.46Å; V365-M377 PolarHBondContact N-O 2.86Å; V365-Y391 HydrophobicContact CG2-CD1 4.15Å; V365-Y391 HydrophobicContact CG2-CE1 4.08Å
366S93.1Very high95.7Very high92 Ų9252.9 Ų52.964%0.64326%0.261SS*.THydrogen-bonded Turntrans-68.9138.5173.956.20000111.1R364 A368R364-S366 PolarHBondContact O-N 2.94Å; S366-A368 PolarHBondContact O-N 3.43Å
367N89.9Confident95.9Very high130 Ų13049.1 Ų49.170%0.69524%0.244SC*.THydrogen-bonded Turntrans57.228.5177.7-55.1-45.9000114.6M1 S2M1-N367 CarbonylContact C-O 3.54Å; M1-N367 WeakPolarHBondContact CA-O 3.47Å; S2-N367 PolarHBondContact N-O 3.01Å
368A93.3Very high96Very high11 Ų1149.8 Ų49.89%0.09125%0.246CC..BIsolated β-bridgetrans-56.2146.2175.100000111.7V365 S366 V370 M377V365-A368 HydrophobicContact CB-CB 4.15Å; V365-A368 HydrophobicContact CG1-CB 3.97Å; S366-A368 PolarHBondContact O-N 3.43Å; A368-V370 HydrophobicContact CB-CG1 4.26Å; A368-V370 PolarHBondContact O-N 3.43Å; A368-M377 HydrophobicContact CB-CB 3.6Å; A368-M377 HydrophobicContact CB-CG 4.27Å; A368-M377 HydrophobicContact CB-SD 3.72Å
369E93.9Very high96Very high17 Ų1750.4 Ų50.48%0.07925%0.25CC..  trans-71.4122.3165.8-166.5175165.900109.6M1 V3 W11 S12 Y393M1-E369 HydrophobicContact CB-CB 3.98Å; M1-E369 HydrophobicContact CB-CG 4.26Å; M1-E369 HydrophobicContact SD-CB 4.36Å; M1-E369 HydrophobicContact SD-CG 4.04Å; V3-E369 VanDerWaalsContact CG2-OE2 3.3Å; V3-E369 WeakPolarHBondContact CG2-OE2 3.5Å; W11-E369 HydrophobicContact CB-CG 4.25Å; W11-E369 VanDerWaalsContact CD1-O 3.24Å; W11-E369 PolarHBondContact N-OE1 3.22Å; S12-E369 WeakPolarHBondContact CB-OE1 3.44Å; S12-E369 PolarHBondContact N-OE1 2.86Å; S12-E369 PolarHBondContact OG-OE1 3.3Å; E369-Y393 PolarHBondContact O-OH 2.82Å
370V95.8Very high96.1Very high25 Ų2550 Ų5015%0.15225%0.246CC..  trans-140.1154.8-176.5-680000110.4A368 H372 V375 Y393A368-V370 HydrophobicContact CB-CG1 4.26Å; A368-V370 PolarHBondContact O-N 3.43Å; V370-H372 VanDerWaalsContact CG2-O 3.26Å; V370-H372 WeakPolarHBondContact CG2-O 3.47Å; V370-V375 HydrophobicContact CB-CB 4.01Å; V370-V375 HydrophobicContact CB-CG1 4.09Å; V370-V375 HydrophobicContact CG1-CB 4.14Å; V370-V375 HydrophobicContact CG1-CG1 3.84Å; V370-Y393 HydrophobicContact CG1-CD1 4.18Å; V370-Y393 HydrophobicContact CG1-CE1 3.98Å
371W95.5Very high96Very high16 Ų1650.6 Ų50.66%0.06125%0.251CS..SBendtrans-84.4-11.5-179.853.585.8000114.4W11 F66 F71 V375 Y393 D395 A446W11-W371 HydrophobicContact CB-CB 4.48Å; W11-W371 AromaticContact CD1-CE3 3.99Å; W11-W371 AromaticContact CD2-CE3 3.79Å; W11-W371 HydrophobicContact CD2-CE3 3.79Å; W11-W371 HydrophobicContact CD2-CZ3 4.24Å; W11-W371 AromaticContact CE2-CE3 3.7Å; W11-W371 AromaticContact CE2-CZ3 3.66Å; W11-W371 HydrophobicContact CE3-CE3 4.36Å; W11-W371 AromaticContact CG-CE3 3.97Å; W11-W371 HydrophobicContact CG-CE3 3.97Å; W11-W371 HydrophobicContact CH2-CZ3 4.46Å; W11-W371 HydrophobicContact CZ2-CE3 4.18Å; W11-W371 AromaticContact CZ2-CZ3 3.78Å; W11-W371 HydrophobicContact CZ2-CZ3 3.78Å; W11-W371 AromaticContact NE1-CE3 3.81Å; W11-W371 AromaticContact NE1-CZ3 3.78Å; F66-W371 HydrophobicContact CD1-CZ3 4.42Å; F66-W371 HydrophobicContact CE1-CD2 4.01Å; F66-W371 AromaticContact CE1-CE2 3.83Å; F66-W371 AromaticContact CE1-CE3 3.9Å; F66-W371 HydrophobicContact CE1-CE3 3.9Å; F66-W371 AromaticContact CE1-CH2 3.45Å; F66-W371 HydrophobicContact CE1-CH2 3.45Å; F66-W371 VanDerWaalsContact CE1-CH2 3.45Å; F66-W371 AromaticContact CE1-CZ2 3.56Å; F66-W371 HydrophobicContact CE1-CZ2 3.56Å; F66-W371 AromaticContact CE1-CZ3 3.63Å; F66-W371 HydrophobicContact CE1-CZ3 3.63Å; F66-W371 AromaticContact CZ-CH2 3.88Å; F66-W371 HydrophobicContact CZ-CH2 3.88Å; F66-W371 AromaticContact CZ-CZ2 3.78Å; F66-W371 HydrophobicContact CZ-CZ2 3.78Å; F66-W371 HydrophobicContact CZ-CZ3 4.49Å; F71-W371 HydrophobicContact CD2-CB 3.59Å; F71-W371 HydrophobicContact CD2-CG 4.19Å; F71-W371 HydrophobicContact CE1-CB 4.33Å; F71-W371 HydrophobicContact CE2-CB 3.21Å; F71-W371 HydrophobicContact CE2-CG 4.01Å; F71-W371 HydrophobicContact CG-CB 4.34Å; F71-W371 HydrophobicContact CZ-CB 3.64Å; W371-V375 HydrophobicContact CD2-CG2 4.48Å; W371-V375 HydrophobicContact CH2-CG1 4.16Å; W371-V375 HydrophobicContact CZ2-CG1 3.85Å; W371-V375 HydrophobicContact CZ2-CG2 4.21Å; W371-Y393 AromaticContact CH2-CD1 3.9Å; W371-Y393 HydrophobicContact CH2-CD1 3.9Å; W371-Y393 AromaticContact CH2-CD2 3.94Å; W371-Y393 HydrophobicContact CH2-CD2 3.94Å; W371-Y393 AromaticContact CH2-CG 3.52Å; W371-Y393 HydrophobicContact CH2-CG 3.52Å; W371-Y393 AromaticContact CZ3-CD1 3.88Å; W371-Y393 HydrophobicContact CZ3-CD1 3.88Å; W371-Y393 HydrophobicContact CZ3-CD2 4.02Å; W371-Y393 HydrophobicContact CZ3-CE1 4.13Å; W371-Y393 HydrophobicContact CZ3-CE2 4.26Å; W371-Y393 AromaticContact CZ3-CG 3.81Å; W371-Y393 HydrophobicContact CZ3-CG 3.81Å; W371-D395 HydrophobicContact CZ2-CB 4.18Å; W371-D395 PolarHBondContact NE1-OD2 3.19Å; W371-A446 HydrophobicContact CH2-CB 3.81Å; W371-A446 HydrophobicContact CZ2-CB 4.31Å
372H95.2Very high96Very high38 Ų3847.2 Ų47.218%0.17624%0.237CC..SBendtrans-152.2149.4178.3-169.2-96.2000110V370 E374 V375 R399V370-H372 VanDerWaalsContact CG2-O 3.26Å; V370-H372 WeakPolarHBondContact CG2-O 3.47Å; H372-E374 VanDerWaalsContact C-N 3.27Å; H372-E374 IonicContact CE1-OE2 2.61Å; H372-E374 PolarHBondContact CE1-OE2 3.49Å; H372-E374 PolarHBondContact ND1-N 3.27Å; H372-E374 IonicContact ND1-OE2 2.74Å; H372-E374 PolarHBondContact O-N 2.87Å; H372-V375 HydrophobicContact CB-CG2 3.84Å; H372-V375 WeakPolarHBondContact O-CB 3.5Å; H372-V375 PolarHBondContact O-N 3.21Å; H372-V375 VanDerWaalsContact O-N 3.12Å; H372-R399 WeakPolarHBondContact NE2-CD 3.44Å
373E93.8Very high95.9Very high178 Ų17849 Ų4983%0.83225%0.252SS*.THydrogen-bonded Turntrans-65.8-27.1-173.464.1-175.5-178.100114.3V375E373-V375 VanDerWaalsContact C-N 3.3Å
374E92.9Very high95.7Very high84 Ų8451.6 Ų51.639%0.39326%0.264SS..THydrogen-bonded Turntrans-81.8-6177.2-61.1-177.3127.500113.7H372 H397H372-E374 VanDerWaalsContact C-N 3.27Å; H372-E374 IonicContact CE1-OE2 2.61Å; H372-E374 PolarHBondContact CE1-OE2 3.49Å; H372-E374 PolarHBondContact ND1-N 3.27Å; H372-E374 IonicContact ND1-OE2 2.74Å; H372-E374 PolarHBondContact O-N 2.87Å; E374-H397 IonicContact OE1-CD2 3.16Å
375V96.5Very high95.6Very high8 Ų848 Ų485%0.04826%0.262CS..  trans-80.7133.3-178.5174.60000109.6V370 W371 H372 E373 Y393 L394 D395V370-V375 HydrophobicContact CB-CB 4.01Å; V370-V375 HydrophobicContact CB-CG1 4.09Å; V370-V375 HydrophobicContact CG1-CB 4.14Å; V370-V375 HydrophobicContact CG1-CG1 3.84Å; W371-V375 HydrophobicContact CD2-CG2 4.48Å; W371-V375 HydrophobicContact CH2-CG1 4.16Å; W371-V375 HydrophobicContact CZ2-CG1 3.85Å; W371-V375 HydrophobicContact CZ2-CG2 4.21Å; H372-V375 HydrophobicContact CB-CG2 3.84Å; H372-V375 WeakPolarHBondContact O-CB 3.5Å; H372-V375 PolarHBondContact O-N 3.21Å; H372-V375 VanDerWaalsContact O-N 3.12Å; E373-V375 VanDerWaalsContact C-N 3.3Å; V375-Y393 HydrophobicContact CG1-CD1 3.87Å; V375-Y393 HydrophobicContact CG1-CG 4.48Å; V375-L394 WeakPolarHBondContact CA-O 3.45Å; V375-D395 HydrophobicContact CG2-CB 3.94Å
376E97Very high95.5Very high25 Ų2551.6 Ų51.612%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-110.5139.8178.3-56.1-177.1145.800110K347 R364 Y378 Y393 L394K347-E376 VanDerWaalsContact NZ-CD 3.27Å; K347-E376 IonicContact NZ-OE1 3.84Å; K347-E376 PolarHBondContact NZ-OE1 3.19Å; K347-E376 VanDerWaalsContact NZ-OE1 3.15Å; K347-E376 IonicContact NZ-OE2 2.7Å; K347-E376 PolarHBondContact NZ-OE2 3.15Å; R364-E376 IonicContact CZ-OE1 2.63Å; R364-E376 IonicContact NH1-OE1 3.48Å; R364-E376 PolarHBondContact NH1-OE1 3.29Å; R364-E376 IonicContact NH2-OE1 3.69Å; R364-E376 PolarHBondContact NH2-OE1 3.3Å; E376-Y378 HydrophobicContact CB-CD2 4.42Å; E376-Y378 HydrophobicContact CB-CE2 3.74Å; E376-Y378 PolarHBondContact OE2-OH 2.67Å; E376-Y393 CarbonylContact O-C 3.47Å; E376-Y393 VanDerWaalsContact O-CA 3.22Å; E376-Y393 WeakPolarHBondContact O-CA 3.28Å; E376-L394 PolarHBondContact N-O 3.46Å; E376-L394 VanDerWaalsContact N-O 3.11Å; E376-L394 PolarHBondContact O-N 3.13Å
377M98Very high95.5Very high3 Ų349.7 Ų49.72%0.01527%0.267CS..EExtended strand (participates in β ladder)trans-112.9140173.7-172.7-178-172.500110A4 V365 A368 Y391 F392 Y393A4-M377 HydrophobicContact CB-CE 3.71Å; A4-M377 HydrophobicContact CB-SD 4.34Å; V365-M377 HydrophobicContact CB-CB 4.3Å; V365-M377 HydrophobicContact CB-CG 4.34Å; V365-M377 HydrophobicContact CB-SD 4.45Å; V365-M377 HydrophobicContact CG2-CG 4.21Å; V365-M377 HydrophobicContact CG2-SD 4.46Å; V365-M377 PolarHBondContact N-O 2.86Å; A368-M377 HydrophobicContact CB-CB 3.6Å; A368-M377 HydrophobicContact CB-CG 4.27Å; A368-M377 HydrophobicContact CB-SD 3.72Å; M377-Y391 VanDerWaalsContact CE-CB 3.49Å; M377-Y391 HydrophobicContact CE-CD1 3.55Å; M377-Y391 HydrophobicContact CE-CD2 4.15Å; M377-Y391 HydrophobicContact CE-CE1 4.29Å; M377-Y391 HydrophobicContact CE-CG 3.47Å; M377-Y391 VanDerWaalsContact CE-CG 3.47Å; M377-F392 CarbonylContact C-O 3.59Å; M377-F392 WeakPolarHBondContact CA-O 3.37Å; M377-Y393 HydrophobicContact CB-CD1 3.79Å; M377-Y393 HydrophobicContact CB-CE1 3.69Å; M377-Y393 HydrophobicContact CE-CE1 4.42Å; M377-Y393 HydrophobicContact CE-CE2 4.3Å; M377-Y393 WeakPolarHBondContact CE-OH 3.33Å; M377-Y393 HydrophobicContact CG-CD1 3.98Å; M377-Y393 HydrophobicContact CG-CE1 3.64Å; M377-Y393 HydrophobicContact SD-CE1 3.69Å; M377-Y393 PolarHBondContact SD-OH 3.13Å
378Y98.5Very high95.8Very high21 Ų2146.5 Ų46.58%0.08225%0.249CC..EExtended strand (participates in β ladder)trans-128.3139.9177.8-69.9-100000110.6L351 F362 E363 R364 E376 Y391 F392 L394L351-Y378 HydrophobicContact CD1-CE1 3.92Å; F362-Y378 HydrophobicContact CB-CD1 4.42Å; E363-Y378 CarbonylContact O-C 3.56Å; E363-Y378 VanDerWaalsContact O-CA 3.25Å; E363-Y378 WeakPolarHBondContact O-CA 3.38Å; R364-Y378 HydrophobicContact CB-CD1 4.08Å; R364-Y378 HydrophobicContact CB-CE1 3.78Å; R364-Y378 HydrophobicContact CG-CE1 4.41Å; E376-Y378 HydrophobicContact CB-CD2 4.42Å; E376-Y378 HydrophobicContact CB-CE2 3.74Å; E376-Y378 PolarHBondContact OE2-OH 2.67Å; Y378-Y391 CarbonylContact O-C 3.51Å; Y378-Y391 WeakPolarHBondContact O-CA 3.35Å; Y378-Y391 WeakPolarHBondContact O-CB 3.41Å; Y378-F392 HydrophobicContact CD1-CZ 4.22Å; Y378-F392 HydrophobicContact CD2-CD2 4.09Å; Y378-F392 AromaticContact CD2-CE2 3.4Å; Y378-F392 HydrophobicContact CD2-CE2 3.4Å; Y378-F392 VanDerWaalsContact CD2-CE2 3.4Å; Y378-F392 AromaticContact CD2-CZ 3.92Å; Y378-F392 HydrophobicContact CD2-CZ 3.92Å; Y378-F392 HydrophobicContact CE2-CE2 4.26Å; Y378-F392 HydrophobicContact CG-CD2 4.37Å; Y378-F392 HydrophobicContact CG-CE1 4.37Å; Y378-F392 AromaticContact CG-CE2 3.57Å; Y378-F392 HydrophobicContact CG-CE2 3.57Å; Y378-F392 AromaticContact CG-CZ 3.57Å; Y378-F392 HydrophobicContact CG-CZ 3.57Å; Y378-F392 PolarHBondContact N-O 2.7Å; Y378-F392 PolarHBondContact O-N 3.48Å; Y378-L394 HydrophobicContact CD2-CD1 4.44Å; Y378-L394 HydrophobicContact CE2-CD1 3.96Å; Y378-L394 HydrophobicContact CE2-CG 4.42Å
379S98Very high95.9Very high13 Ų1347.4 Ų47.49%0.09125%0.253CS..EExtended strand (participates in β ladder)trans-82.5150.1164.362.50000110.2F362 E363F362-S379 VanDerWaalsContact CA-O 3.31Å; F362-S379 WeakPolarHBondContact CA-O 3.46Å; E363-S379 PolarHBondContact N-O 2.92Å; E363-S379 PolarHBondContact O-N 3.45Å; E363-S379 PolarHBondContact O-OG 3.24Å
380V98.4Very high96Very high0 Ų046.6 Ų46.60%025%0.249CC..EExtended strand (participates in β ladder)trans-124.5115.5175.1-178.10000109.2L360 K361 F362 L389 G390 F392 I482L360-V380 HydrophobicContact CB-CG1 4.39Å; L360-V380 HydrophobicContact CD1-CG1 4.02Å; L360-V380 HydrophobicContact CD2-CG1 4.07Å; L360-V380 HydrophobicContact CG-CG1 4.39Å; K361-V380 WeakPolarHBondContact O-CA 3.4Å; F362-V380 HydrophobicContact CD1-CB 4.27Å; F362-V380 HydrophobicContact CD1-CG1 4.02Å; F362-V380 HydrophobicContact CD1-CG2 3.81Å; F362-V380 HydrophobicContact CE1-CB 4.35Å; F362-V380 HydrophobicContact CE1-CG1 3.72Å; F362-V380 HydrophobicContact CE1-CG2 3.92Å; V380-L389 HydrophobicContact CG1-CB 4.48Å; V380-L389 HydrophobicContact CG1-CD1 4.37Å; V380-L389 PolarHBondContact O-N 3.22Å; V380-G390 PolarHBondContact N-O 3.39Å; V380-G390 PolarHBondContact O-N 3.08Å; V380-F392 HydrophobicContact CG2-CD1 3.38Å; V380-F392 HydrophobicContact CG2-CE1 3.54Å; V380-I482 HydrophobicContact CB-CG2 3.81Å; V380-I482 HydrophobicContact CG1-CG2 3.77Å; V380-I482 HydrophobicContact CG2-CG2 4.09Å
381S98.1Very high96.2Very high19 Ų1946.2 Ų46.213%0.13325%0.245CC..EExtended strand (participates in β ladder)trans-118.2151.4174.7-61.20000111L360 K361 S387L360-S381 CarbonylContact C-O 3.4Å; L360-S381 WeakPolarHBondContact CA-O 3.48Å; K361-S381 PolarHBondContact N-O 3.24Å; K361-S381 PolarHBondContact O-N 2.61Å; S381-S387 CarbonylContact C-O 3.55Å; S381-S387 VanDerWaalsContact CA-O 3.29Å; S381-S387 WeakPolarHBondContact CA-O 3.5Å
382D97.3Very high96.3Very high17 Ų1745.5 Ų45.59%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-65.8132.7167.8-170.8-82.3000110.3E384 S385 N386 S387 R641 R644D382-E384 VanDerWaalsContact C-N 3.29Å; D382-E384 PolarHBondContact O-N 2.95Å; D382-E384 PolarHBondContact OD1-N 3.4Å; D382-S385 WeakPolarHBondContact CB-OG 3.33Å; D382-S385 PolarHBondContact OD1-N 3.25Å; D382-S385 VanDerWaalsContact OD1-N 3.07Å; D382-N386 WeakPolarHBondContact O-CA 3.32Å; D382-N386 PolarHBondContact O-N 2.86Å; D382-S387 PolarHBondContact N-O 3.42Å; D382-R641 IonicContact OD2-NH1 3.73Å; D382-R644 IonicContact OD2-CZ 2.99Å; D382-R644 VanDerWaalsContact OD2-CZ 3.24Å; D382-R644 IonicContact OD2-NH1 2.93Å; D382-R644 PolarHBondContact OD2-NH1 3.48Å; D382-R644 IonicContact OD2-NH2 3.42Å; D382-R644 PolarHBondContact OD2-NH2 3.03Å
383S96.9Very high96.5Very high55 Ų5543.9 Ų43.939%0.38523%0.234SC..THydrogen-bonded Turntrans-72.2-19.7-174.667.20000114.3G359 R641G359-S383 VanDerWaalsContact C-OG 3.23Å; G359-S383 PolarHBondContact O-N 3.26Å; G359-S383 VanDerWaalsContact O-N 3.09Å; G359-S383 PolarHBondContact O-OG 2.96Å; G359-S383 VanDerWaalsContact O-OG 3.04Å; S383-R641 PolarHBondContact OG-NH2 3.35Å; S383-R641 VanDerWaalsContact OG-NH2 3.14Å
384E94.4Very high96.7Very high148 Ų14835.5 Ų35.569%0.69220%0.195SC*.THydrogen-bonded Turntrans-96.9-51.7-178.3-73.2171.5-148.200110.9D382 R641D382-E384 VanDerWaalsContact C-N 3.29Å; D382-E384 PolarHBondContact O-N 2.95Å; D382-E384 PolarHBondContact OD1-N 3.4Å; E384-R641 VanDerWaalsContact CD-NH2 3.32Å; E384-R641 IonicContact OE1-CZ 2.96Å; E384-R641 IonicContact OE1-NE 3.64Å; E384-R641 IonicContact OE1-NH2 3.93Å; E384-R641 PolarHBondContact OE1-NH2 3.44Å
385S94.9Very high96.9Very high75 Ų7531.5 Ų31.552%0.52418%0.177SC..THydrogen-bonded Turntrans-83.1-15.1-178.171.90000113.4D382 S387D382-S385 WeakPolarHBondContact CB-OG 3.33Å; D382-S385 PolarHBondContact OD1-N 3.25Å; D382-S385 VanDerWaalsContact OD1-N 3.07Å; S385-S387 PolarHBondContact O-N 2.81Å; S385-S387 VanDerWaalsContact O-N 3.17Å; S385-S387 VanDerWaalsContact OG-CB 3.31Å; S385-S387 WeakPolarHBondContact OG-CB 3.44Å; S385-S387 PolarHBondContact OG-N 3.45Å; S385-S387 VanDerWaalsContact OG-N 3.1Å; S385-S387 PolarHBondContact OG-OG 3.45Å
386N94.7Very high96.8Very high109 Ų10931.6 Ų31.658%0.58318%0.177SC*.  trans5814.5-167.3-63.6-76.9000114D382 L388D382-N386 WeakPolarHBondContact O-CA 3.32Å; D382-N386 PolarHBondContact O-N 2.86Å; N386-L388 PolarHBondContact O-N 2.94Å
387S92.8Very high96.5Very high52 Ų5231.7 Ų31.736%0.36418%0.177SC..  trans-68.4126.3177.565.40000110.3S381 D382 S385 L389S381-S387 CarbonylContact C-O 3.55Å; S381-S387 VanDerWaalsContact CA-O 3.29Å; S381-S387 WeakPolarHBondContact CA-O 3.5Å; D382-S387 PolarHBondContact N-O 3.42Å; S385-S387 PolarHBondContact O-N 2.81Å; S385-S387 VanDerWaalsContact O-N 3.17Å; S385-S387 VanDerWaalsContact OG-CB 3.31Å; S385-S387 WeakPolarHBondContact OG-CB 3.44Å; S385-S387 PolarHBondContact OG-N 3.45Å; S385-S387 VanDerWaalsContact OG-N 3.1Å; S385-S387 PolarHBondContact OG-OG 3.45Å; S387-L389 PolarHBondContact O-N 3.42Å
388L95.5Very high96Very high62 Ų6234.6 Ų34.633%0.32520%0.196SC..EExtended strand (participates in β ladder)trans-66.2122.4171.8-177.365.8000109.5N386 Y391 L442N386-L388 PolarHBondContact O-N 2.94Å; L388-Y391 HydrophobicContact CD2-CE2 4.02Å; L388-Y391 WeakPolarHBondContact CD2-OH 3.46Å; L388-L442 HydrophobicContact CD2-CD1 3.53Å; L388-L442 HydrophobicContact CD2-CD2 4.43Å; L388-L442 HydrophobicContact CG-CD1 4.03Å; L388-L442 HydrophobicContact CG-CD2 4.14Å; L388-L442 VanDerWaalsContact O-CD2 3.31Å; L388-L442 WeakPolarHBondContact O-CD2 3.44Å
389L95.4Very high95.6Very high31 Ų3135.6 Ų35.616%0.16220%0.2CC..EExtended strand (participates in β ladder)trans-96.7-35.6-180-54.7-178.9000111.4L360 V380 S387 A443 I482L360-L389 HydrophobicContact CD2-CD1 3.5Å; V380-L389 HydrophobicContact CG1-CB 4.48Å; V380-L389 HydrophobicContact CG1-CD1 4.37Å; V380-L389 PolarHBondContact O-N 3.22Å; S387-L389 PolarHBondContact O-N 3.42Å; L389-A443 PolarHBondContact O-N 2.88Å; L389-I482 HydrophobicContact CB-CG2 4.09Å
390G97Very high95Very high0 Ų043.2 Ų43.20%023%0.234CC..EExtended strand (participates in β ladder)trans172.6-166.1-174.500000114.5V380 A443V380-G390 PolarHBondContact N-O 3.39Å; V380-G390 PolarHBondContact O-N 3.08Å; G390-A443 CarbonylContact C-O 3.49Å; G390-A443 WeakPolarHBondContact CA-O 3.33Å
391Y98.3Very high94.3Very high17 Ų1744.7 Ų44.77%0.06725%0.25CC..EExtended strand (participates in β ladder)trans-136.2152.1176.2-62.4-87.7000110.9A4 S5 V365 M377 Y378 L388 L442 A443 I444 A445 I482A4-Y391 HydrophobicContact CB-CD1 4.38Å; A4-Y391 HydrophobicContact CB-CE1 3.83Å; A4-Y391 HydrophobicContact CB-CE2 4.13Å; S5-Y391 WeakPolarHBondContact O-CE2 3.49Å; S5-Y391 PolarHBondContact O-OH 3.27Å; V365-Y391 HydrophobicContact CG2-CD1 4.15Å; V365-Y391 HydrophobicContact CG2-CE1 4.08Å; M377-Y391 VanDerWaalsContact CE-CB 3.49Å; M377-Y391 HydrophobicContact CE-CD1 3.55Å; M377-Y391 HydrophobicContact CE-CD2 4.15Å; M377-Y391 HydrophobicContact CE-CE1 4.29Å; M377-Y391 HydrophobicContact CE-CG 3.47Å; M377-Y391 VanDerWaalsContact CE-CG 3.47Å; Y378-Y391 CarbonylContact O-C 3.51Å; Y378-Y391 WeakPolarHBondContact O-CA 3.35Å; Y378-Y391 WeakPolarHBondContact O-CB 3.41Å; L388-Y391 HydrophobicContact CD2-CE2 4.02Å; L388-Y391 WeakPolarHBondContact CD2-OH 3.46Å; Y391-L442 HydrophobicContact CD2-CD1 4.47Å; Y391-L442 HydrophobicContact CE2-CD1 3.85Å; Y391-A443 PolarHBondContact N-O 3.34Å; Y391-I444 HydrophobicContact CD2-CD1 4.38Å; Y391-I444 HydrophobicContact CD2-CG1 4.37Å; Y391-I444 VanDerWaalsContact O-CA 3.29Å; Y391-I444 WeakPolarHBondContact O-CA 3.48Å; Y391-A445 PolarHBondContact O-N 3.27Å; Y391-I482 WeakPolarHBondContact O-CD1 3.33Å
392F98.6Very high94Very high0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-132.5153.9167.765.9-101.2000113.1L351 F362 M377 Y378 V380 L394 A445 F475 L478 M479L351-F392 HydrophobicContact CD2-CE2 4.21Å; L351-F392 HydrophobicContact CD2-CZ 3.72Å; F362-F392 HydrophobicContact CD1-CE1 4.05Å; F362-F392 HydrophobicContact CD2-CE1 4.38Å; F362-F392 HydrophobicContact CD2-CZ 4.35Å; F362-F392 HydrophobicContact CE1-CE1 4.31Å; F362-F392 HydrophobicContact CG-CE1 4.11Å; F362-F392 HydrophobicContact CG-CZ 4.34Å; M377-F392 CarbonylContact C-O 3.59Å; M377-F392 WeakPolarHBondContact CA-O 3.37Å; Y378-F392 HydrophobicContact CD1-CZ 4.22Å; Y378-F392 HydrophobicContact CD2-CD2 4.09Å; Y378-F392 AromaticContact CD2-CE2 3.4Å; Y378-F392 HydrophobicContact CD2-CE2 3.4Å; Y378-F392 VanDerWaalsContact CD2-CE2 3.4Å; Y378-F392 AromaticContact CD2-CZ 3.92Å; Y378-F392 HydrophobicContact CD2-CZ 3.92Å; Y378-F392 HydrophobicContact CE2-CE2 4.26Å; Y378-F392 HydrophobicContact CG-CD2 4.37Å; Y378-F392 HydrophobicContact CG-CE1 4.37Å; Y378-F392 AromaticContact CG-CE2 3.57Å; Y378-F392 HydrophobicContact CG-CE2 3.57Å; Y378-F392 AromaticContact CG-CZ 3.57Å; Y378-F392 HydrophobicContact CG-CZ 3.57Å; Y378-F392 PolarHBondContact N-O 2.7Å; Y378-F392 PolarHBondContact O-N 3.48Å; V380-F392 HydrophobicContact CG2-CD1 3.38Å; V380-F392 HydrophobicContact CG2-CE1 3.54Å; F392-L394 HydrophobicContact CD2-CD2 4.01Å; F392-L394 HydrophobicContact CD2-CG 4.01Å; F392-L394 HydrophobicContact CE2-CD1 4.1Å; F392-L394 HydrophobicContact CE2-CD2 4.03Å; F392-L394 HydrophobicContact CE2-CG 3.84Å; F392-A445 CarbonylContact C-O 3.5Å; F392-A445 WeakPolarHBondContact CA-O 3.44Å; F392-F475 HydrophobicContact CE1-CZ 4.14Å; F392-F475 AromaticContact CE2-CE2 3.99Å; F392-F475 HydrophobicContact CE2-CE2 3.99Å; F392-F475 HydrophobicContact CE2-CZ 4.32Å; F392-F475 HydrophobicContact CZ-CE2 4.01Å; F392-F475 AromaticContact CZ-CZ 3.86Å; F392-F475 HydrophobicContact CZ-CZ 3.86Å; F392-L478 HydrophobicContact CB-CD1 3.81Å; F392-L478 HydrophobicContact CB-CD2 3.31Å; F392-L478 HydrophobicContact CB-CG 3.85Å; F392-L478 HydrophobicContact CD1-CD2 3.51Å; F392-L478 HydrophobicContact CD2-CD2 3.76Å; F392-L478 HydrophobicContact CE1-CD2 4.2Å; F392-L478 HydrophobicContact CE2-CD2 4.42Å; F392-L478 HydrophobicContact CG-CD1 4.39Å; F392-L478 HydrophobicContact CG-CD2 3.26Å; F392-L478 HydrophobicContact CG-CG 4.3Å; F392-M479 HydrophobicContact CD1-CE 4.16Å; F392-M479 HydrophobicContact CE1-CE 4.25Å
393Y98.7Very high93.4Very high4 Ų448 Ų482%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-107.7143.1171.1-62.4-89.9000111W11 E369 V370 W371 V375 E376 M377 L411 I444 A445 A446 M447W11-Y393 HydrophobicContact CZ2-CE2 4.29Å; W11-Y393 AromaticContact NE1-CZ 3.52Å; W11-Y393 PolarHBondContact NE1-OH 3.18Å; W11-Y393 VanDerWaalsContact NE1-OH 3.11Å; E369-Y393 PolarHBondContact O-OH 2.82Å; V370-Y393 HydrophobicContact CG1-CD1 4.18Å; V370-Y393 HydrophobicContact CG1-CE1 3.98Å; W371-Y393 AromaticContact CH2-CD1 3.9Å; W371-Y393 HydrophobicContact CH2-CD1 3.9Å; W371-Y393 AromaticContact CH2-CD2 3.94Å; W371-Y393 HydrophobicContact CH2-CD2 3.94Å; W371-Y393 AromaticContact CH2-CG 3.52Å; W371-Y393 HydrophobicContact CH2-CG 3.52Å; W371-Y393 AromaticContact CZ3-CD1 3.88Å; W371-Y393 HydrophobicContact CZ3-CD1 3.88Å; W371-Y393 HydrophobicContact CZ3-CD2 4.02Å; W371-Y393 HydrophobicContact CZ3-CE1 4.13Å; W371-Y393 HydrophobicContact CZ3-CE2 4.26Å; W371-Y393 AromaticContact CZ3-CG 3.81Å; W371-Y393 HydrophobicContact CZ3-CG 3.81Å; V375-Y393 HydrophobicContact CG1-CD1 3.87Å; V375-Y393 HydrophobicContact CG1-CG 4.48Å; E376-Y393 CarbonylContact O-C 3.47Å; E376-Y393 VanDerWaalsContact O-CA 3.22Å; E376-Y393 WeakPolarHBondContact O-CA 3.28Å; M377-Y393 HydrophobicContact CB-CD1 3.79Å; M377-Y393 HydrophobicContact CB-CE1 3.69Å; M377-Y393 HydrophobicContact CE-CE1 4.42Å; M377-Y393 HydrophobicContact CE-CE2 4.3Å; M377-Y393 WeakPolarHBondContact CE-OH 3.33Å; M377-Y393 HydrophobicContact CG-CD1 3.98Å; M377-Y393 HydrophobicContact CG-CE1 3.64Å; M377-Y393 HydrophobicContact SD-CE1 3.69Å; M377-Y393 PolarHBondContact SD-OH 3.13Å; Y393-L411 HydrophobicContact CD2-CD1 4.16Å; Y393-L411 HydrophobicContact CE2-CD1 4.35Å; Y393-I444 HydrophobicContact CD2-CG2 4.21Å; Y393-I444 HydrophobicContact CE2-CG2 3.76Å; Y393-A445 PolarHBondContact N-O 3.47Å; Y393-A446 HydrophobicContact CD2-CB 4.47Å; Y393-M447 PolarHBondContact O-N 3Å
394L98.4Very high92.5Very high2 Ų248 Ų481%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-113.8118.8168.5-61.6-177.1000109.3K347 V375 E376 Y378 F392 L396 M447 F475K347-L394 HydrophobicContact CD-CD1 4.11Å; K347-L394 HydrophobicContact CG-CD1 4.38Å; V375-L394 WeakPolarHBondContact CA-O 3.45Å; E376-L394 PolarHBondContact N-O 3.46Å; E376-L394 VanDerWaalsContact N-O 3.11Å; E376-L394 PolarHBondContact O-N 3.13Å; Y378-L394 HydrophobicContact CD2-CD1 4.44Å; Y378-L394 HydrophobicContact CE2-CD1 3.96Å; Y378-L394 HydrophobicContact CE2-CG 4.42Å; F392-L394 HydrophobicContact CD2-CD2 4.01Å; F392-L394 HydrophobicContact CD2-CG 4.01Å; F392-L394 HydrophobicContact CE2-CD1 4.1Å; F392-L394 HydrophobicContact CE2-CD2 4.03Å; F392-L394 HydrophobicContact CE2-CG 3.84Å; L394-L396 HydrophobicContact CB-CD1 4.46Å; L394-L396 HydrophobicContact CB-CD2 4.22Å; L394-L396 HydrophobicContact CB-CG 4.16Å; L394-M447 HydrophobicContact CD2-CB 4.04Å; L394-M447 HydrophobicContact CD2-SD 4.15Å; L394-F475 HydrophobicContact CD2-CD2 4.48Å; L394-F475 HydrophobicContact CD2-CE2 4.33Å
395D97.4Very high91.8Very high1 Ų146 Ų461%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-12485.6177-173.2-8.9000109.2W371 V375 R399 K402 M447 V448 A449W371-D395 HydrophobicContact CZ2-CB 4.18Å; W371-D395 PolarHBondContact NE1-OD2 3.19Å; V375-D395 HydrophobicContact CG2-CB 3.94Å; D395-R399 IonicContact OD1-CZ 2.98Å; D395-R399 IonicContact OD1-NH1 2.64Å; D395-R399 PolarHBondContact OD1-NH1 3.15Å; D395-R399 IonicContact OD1-NH2 3.31Å; D395-R399 PolarHBondContact OD1-NH2 2.99Å; D395-R399 IonicContact OD2-CZ 3.32Å; D395-R399 IonicContact OD2-NH1 2.83Å; D395-R399 PolarHBondContact OD2-NH1 3.22Å; D395-R399 IonicContact OD2-NH2 2.93Å; D395-R399 PolarHBondContact OD2-NH2 2.95Å; D395-K402 VanDerWaalsContact CG-CE 3.47Å; D395-K402 PolarHBondContact O-NZ 3.14Å; D395-K402 WeakPolarHBondContact OD1-CE 3.42Å; D395-K402 IonicContact OD1-NZ 3.07Å; D395-K402 PolarHBondContact OD1-NZ 3.28Å; D395-M447 PolarHBondContact N-O 2.96Å; D395-V448 WeakPolarHBondContact O-CA 3.36Å; D395-A449 PolarHBondContact O-N 3.28Å
396L95.2Very high91.5Very high10 Ų1043.9 Ų43.95%0.05225%0.245CC..  trans-97.1-15.6-159.9-56.8-178.6000115.2L343 K347 L394 M447 A449 F451 F471L343-L396 HydrophobicContact CD1-CD1 4.42Å; K347-L396 HydrophobicContact CD-CD1 4.07Å; L394-L396 HydrophobicContact CB-CD1 4.46Å; L394-L396 HydrophobicContact CB-CD2 4.22Å; L394-L396 HydrophobicContact CB-CG 4.16Å; L396-M447 HydrophobicContact CD2-CE 4.25Å; L396-A449 CarbonylContact C-O 3.31Å; L396-A449 VanDerWaalsContact C-O 3.24Å; L396-A449 HydrophobicContact CD2-CB 4.3Å; L396-A449 CarbonylContact O-C 3.5Å; L396-A449 VanDerWaalsContact O-O 3.12Å; L396-F451 HydrophobicContact CB-CD2 4.23Å; L396-F451 HydrophobicContact CD2-CD2 4.43Å; L396-F451 HydrophobicContact CD2-CE2 4.25Å; L396-F451 PolarHBondContact O-N 2.83Å; L396-F471 HydrophobicContact CD1-CE1 4.15Å; L396-F471 HydrophobicContact CD1-CZ 3.97Å; L396-F471 HydrophobicContact CD2-CE2 4.33Å; L396-F471 HydrophobicContact CD2-CZ 4.14Å
397H90.9Very high91.4Very high27 Ų2739.5 Ų39.513%0.12522%0.224CC..SBendtrans-108.5143-169.6-61.3-51000113.6L343 E374 K402 F451L343-H397 VanDerWaalsContact CD2-CE1 3.44Å; L343-H397 WeakPolarHBondContact CD2-CE1 3.31Å; E374-H397 IonicContact OE1-CD2 3.16Å; H397-K402 VanDerWaalsContact O-CD 3.31Å; H397-K402 WeakPolarHBondContact O-CD 3.45Å; H397-K402 PolarHBondContact O-NZ 3.32Å; H397-F451 PolarHBondContact ND1-O 2.86Å
398P87.1Confident91.6Very high64 Ų6438.4 Ų38.442%0.41622%0.215SC..  trans-68.8143.4176.529.7-34.6000111.4N450 F451P398-N450 VanDerWaalsContact CA-OD1 3.3Å; P398-N450 WeakPolarHBondContact CA-OD1 3.43Å; P398-N450 HydrophobicContact CB-CB 4.12Å; P398-F451 WeakPolarHBondContact CD-O 3.37Å
399R89.3Confident91.7Very high41 Ų4137.1 Ų37.116%0.15521%0.207CC..  trans-155163.4169.762.8-177173.9-82.7-6.2110.6T70 H372 D395 G401 K402T70-R399 PolarHBondContact O-NE 3.33Å; T70-R399 PolarHBondContact O-NH2 3.35Å; H372-R399 WeakPolarHBondContact NE2-CD 3.44Å; D395-R399 IonicContact OD1-CZ 2.98Å; D395-R399 IonicContact OD1-NH1 2.64Å; D395-R399 PolarHBondContact OD1-NH1 3.15Å; D395-R399 IonicContact OD1-NH2 3.31Å; D395-R399 PolarHBondContact OD1-NH2 2.99Å; D395-R399 IonicContact OD2-CZ 3.32Å; D395-R399 IonicContact OD2-NH1 2.83Å; D395-R399 PolarHBondContact OD2-NH1 3.22Å; D395-R399 IonicContact OD2-NH2 2.93Å; D395-R399 PolarHBondContact OD2-NH2 2.95Å; R399-G401 PolarHBondContact O-N 3.16Å; R399-K402 HydrophobicContact CG-CB 3.8Å; R399-K402 HydrophobicContact CG-CD 4.17Å; R399-K402 WeakPolarHBondContact O-CB 3.46Å; R399-K402 PolarHBondContact O-N 3.5Å
400E85.6Confident91.8Very high173 Ų17336.9 Ų36.981%0.80821%0.212SC*.THydrogen-bonded Turntrans-56.5129.7-179.3-170.6-176.8162.100111.8K402E400-K402 PolarHBondContact O-N 2.8Å
401G84.7Confident91.9Very high32 Ų3237 Ų3733%0.3321%0.213SC..THydrogen-bonded Turntrans77.7-1177.400000115.7R77 R399R77-G401 WeakPolarHBondContact CD-O 3.39Å; R399-G401 PolarHBondContact O-N 3.16Å
402K90.5Very high91.8Very high18 Ų1836.3 Ų36.38%0.07821%0.21CC..SBendtrans-77148.2173-171.7-169.8179-176.90111H69 D395 H397 R399 E400 G404 V448 A449H69-K402 CarbonylContact O-C 3.44Å; H69-K402 WeakPolarHBondContact O-CA 3.19Å; D395-K402 VanDerWaalsContact CG-CE 3.47Å; D395-K402 PolarHBondContact O-NZ 3.14Å; D395-K402 WeakPolarHBondContact OD1-CE 3.42Å; D395-K402 IonicContact OD1-NZ 3.07Å; D395-K402 PolarHBondContact OD1-NZ 3.28Å; H397-K402 VanDerWaalsContact O-CD 3.31Å; H397-K402 WeakPolarHBondContact O-CD 3.45Å; H397-K402 PolarHBondContact O-NZ 3.32Å; R399-K402 HydrophobicContact CG-CB 3.8Å; R399-K402 HydrophobicContact CG-CD 4.17Å; R399-K402 WeakPolarHBondContact O-CB 3.46Å; R399-K402 PolarHBondContact O-N 3.5Å; E400-K402 PolarHBondContact O-N 2.8Å; K402-G404 PolarHBondContact O-N 2.9Å; K402-V448 HydrophobicContact CD-CG1 4.48Å; K402-V448 HydrophobicContact CG-CG1 4.42Å; K402-A449 PolarHBondContact NZ-O 3.03Å
403Y84.4Confident91.7Very high86 Ų8636.6 Ų36.634%0.33721%0.212SC..  trans-53.1126.2171.2-174.6-105.5000111.4H69 H405 A407 F409 N450H69-Y403 PolarHBondContact O-N 3.11Å; Y403-H405 HydrophobicContact CD1-CB 4.35Å; Y403-H405 VanDerWaalsContact CD1-O 3.31Å; Y403-H405 WeakPolarHBondContact CD1-O 3.37Å; Y403-H405 HydrophobicContact CE1-CB 3.61Å; Y403-A407 HydrophobicContact CD1-CB 4.44Å; Y403-A407 HydrophobicContact CE1-CB 3.88Å; Y403-F409 HydrophobicContact CD1-CE2 4.44Å; Y403-F409 HydrophobicContact CD1-CZ 4.22Å; Y403-F409 HydrophobicContact CG-CZ 4.34Å; Y403-N450 PolarHBondContact O-ND2 3.5Å
404G78.4Confident91.5Very high56 Ų5636.6 Ų36.658%0.57721%0.213SC*.SBendtrans-84.5-6.8-166.500000116.3K402 N450K402-G404 PolarHBondContact O-N 2.9Å; G404-N450 WeakPolarHBondContact CA-ND2 3.5Å; G404-N450 PolarHBondContact O-ND2 2.89Å; G404-N450 VanDerWaalsContact O-ND2 3.1Å
405H80.3Confident91.4Very high107 Ų10736.5 Ų36.550%0.49521%0.213SC..SBendtrans-109.3168.4177.5-5693.1000111.2Y403 N450Y403-H405 HydrophobicContact CD1-CB 4.35Å; Y403-H405 VanDerWaalsContact CD1-O 3.31Å; Y403-H405 WeakPolarHBondContact CD1-O 3.37Å; Y403-H405 HydrophobicContact CE1-CB 3.61Å; H405-N450 PolarHBondContact O-ND2 3.39Å
406A89.2Confident90.9Very high29 Ų2941.3 Ų41.324%0.2423%0.231CC..  trans-77138.4166.100000109.4V448 A449 T470 E474A406-V448 CarbonylContact C-O 2.9Å; A406-V448 WeakPolarHBondContact CA-O 3.49Å; A406-A449 HydrophobicContact CB-CB 4.49Å; A406-T470 HydrophobicContact CB-CG2 3.35Å; A406-E474 HydrophobicContact CB-CG 3.82Å
407A91.4Very high90Very high18 Ų1840.9 Ų40.915%0.14923%0.228CC..EExtended strand (participates in β ladder)trans-166.3156.2177.400000111.9Y403 F409 V448 E474Y403-A407 HydrophobicContact CD1-CB 4.44Å; Y403-A407 HydrophobicContact CE1-CB 3.88Å; A407-F409 HydrophobicContact CB-CD2 4.42Å; A407-F409 HydrophobicContact CB-CE2 3.81Å; A407-F409 HydrophobicContact CB-CZ 4.32Å; A407-V448 PolarHBondContact N-O 3.19Å; A407-V448 PolarHBondContact O-N 3.27Å; A407-E474 WeakPolarHBondContact CA-OE2 3.3Å
408V98Very high88.8Confident28 Ų2840 Ų4017%0.1723%0.226CC..EExtended strand (participates in β ladder)trans-105130.2163.7173.80000111.5A445 A446 M447 E474 H477 L478 Q481V408-A445 HydrophobicContact CG1-CB 4.13Å; V408-A446 CarbonylContact C-O 3.58Å; V408-A446 WeakPolarHBondContact CA-O 3.42Å; V408-M447 HydrophobicContact CG2-CB 4.17Å; V408-M447 HydrophobicContact CG2-CG 4.47Å; V408-E474 HydrophobicContact CG2-CB 4.16Å; V408-E474 WeakPolarHBondContact CG2-O 3.31Å; V408-E474 PolarHBondContact N-OE2 3.26Å; V408-E474 VanDerWaalsContact N-OE2 3.11Å; V408-H477 HydrophobicContact CB-CB 3.82Å; V408-H477 HydrophobicContact CG1-CB 4.33Å; V408-H477 HydrophobicContact CG2-CB 3.74Å; V408-L478 HydrophobicContact CG1-CB 4.47Å; V408-L478 HydrophobicContact CG2-CB 4.04Å; V408-L478 HydrophobicContact CG2-CD1 4.35Å; V408-Q481 HydrophobicContact CG1-CG 4.04Å
409F97.6Very high87.1Confident36 Ų3638.6 Ų38.616%0.15821%0.214CC..EExtended strand (participates in β ladder)trans-105.5117.1173.2-63.1-99.9000109.1F66 H69 Y403 A407 L411 A445 A446 V448F66-F409 HydrophobicContact CD2-CB 3.97Å; F66-F409 AromaticContact CD2-CD1 3.92Å; F66-F409 HydrophobicContact CD2-CD1 3.92Å; F66-F409 HydrophobicContact CD2-CD2 4.49Å; F66-F409 AromaticContact CD2-CG 3.88Å; F66-F409 HydrophobicContact CD2-CG 3.88Å; F66-F409 HydrophobicContact CE2-CB 3.67Å; F66-F409 AromaticContact CE2-CD1 3.96Å; F66-F409 HydrophobicContact CE2-CD1 3.96Å; F66-F409 AromaticContact CE2-CD2 3.71Å; F66-F409 HydrophobicContact CE2-CD2 3.71Å; F66-F409 HydrophobicContact CE2-CE2 4.33Å; F66-F409 AromaticContact CE2-CG 3.5Å; F66-F409 HydrophobicContact CE2-CG 3.5Å; F66-F409 VanDerWaalsContact CE2-CG 3.5Å; H69-F409 HydrophobicContact CB-CE1 4.42Å; H69-F409 HydrophobicContact CB-CZ 4.28Å; H69-F409 AromaticContact CD2-CE1 3.55Å; H69-F409 AromaticContact CG-CE1 3.94Å; H69-F409 AromaticContact NE2-CE1 3.99Å; Y403-F409 HydrophobicContact CD1-CE2 4.44Å; Y403-F409 HydrophobicContact CD1-CZ 4.22Å; Y403-F409 HydrophobicContact CG-CZ 4.34Å; A407-F409 HydrophobicContact CB-CD2 4.42Å; A407-F409 HydrophobicContact CB-CE2 3.81Å; A407-F409 HydrophobicContact CB-CZ 4.32Å; F409-L411 HydrophobicContact CB-CD2 4.11Å; F409-L411 PolarHBondContact O-N 2.89Å; F409-A445 CarbonylContact O-C 3.57Å; F409-A445 WeakPolarHBondContact O-CA 3.32Å; F409-A446 PolarHBondContact N-O 3.17Å; F409-A446 PolarHBondContact O-N 2.87Å; F409-V448 HydrophobicContact CD2-CB 4.36Å; F409-V448 HydrophobicContact CD2-CG2 3.7Å; F409-V448 HydrophobicContact CE2-CB 3.96Å; F409-V448 HydrophobicContact CE2-CG2 3.64Å
410G97.5Very high85Confident26 Ų2641.5 Ų41.527%0.26823%0.232SC..EExtended strand (participates in β ladder)trans-74.1116168.400000109.5N62N62-G410 PolarHBondContact ND2-O 3.48Å
411L97.7Very high82.8Confident2 Ų237.4 Ų37.41%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-100.8-44.1-172.7-57.6176.7000112.2L9 W11 N62 F66 Y393 F409 I444 A446L9-L411 HydrophobicContact CD1-CB 3.5Å; L9-L411 HydrophobicContact CD1-CD1 3.96Å; L9-L411 HydrophobicContact CD1-CG 4.37Å; L9-L411 HydrophobicContact CD2-CB 4.44Å; W11-L411 HydrophobicContact CH2-CD1 3.89Å; W11-L411 HydrophobicContact CH2-CD2 4.43Å; W11-L411 HydrophobicContact CZ2-CD1 3.84Å; N62-L411 WeakPolarHBondContact CB-O 3.34Å; N62-L411 PolarHBondContact ND2-O 3.49Å; N62-L411 VanDerWaalsContact ND2-O 3.12Å; F66-L411 HydrophobicContact CB-CD2 4.04Å; F66-L411 HydrophobicContact CD1-CD2 4.05Å; F66-L411 HydrophobicContact CD2-CD2 3.75Å; F66-L411 HydrophobicContact CE1-CD2 4.44Å; F66-L411 HydrophobicContact CE2-CD2 4.18Å; F66-L411 HydrophobicContact CG-CD2 3.67Å; F66-L411 HydrophobicContact CZ-CD2 4.49Å; Y393-L411 HydrophobicContact CD2-CD1 4.16Å; Y393-L411 HydrophobicContact CE2-CD1 4.35Å; F409-L411 HydrophobicContact CB-CD2 4.11Å; F409-L411 PolarHBondContact O-N 2.89Å; L411-I444 WeakPolarHBondContact CA-O 3.4Å; L411-I444 HydrophobicContact CB-CG2 4.4Å; L411-I444 WeakPolarHBondContact CB-O 3.28Å; L411-I444 HydrophobicContact CD1-CG2 4.37Å; L411-I444 PolarHBondContact N-O 3.07Å; L411-A446 HydrophobicContact CD1-CB 3.81Å; L411-A446 HydrophobicContact CG-CB 4.43Å
412Q97.2Very high80.8Confident2 Ų241.6 Ų41.61%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-129.7120.3176.3-172.6174.1-74.400108.8G6 R8 T59 Q441 L442 A443 I444G6-Q412 PolarHBondContact O-NE2 2.8Å; G6-Q412 VanDerWaalsContact O-NE2 3.09Å; R8-Q412 VanDerWaalsContact CB-OE1 3.29Å; R8-Q412 VanDerWaalsContact N-OE1 3.07Å; T59-Q412 HydrophobicContact CG2-CB 4.17Å; T59-Q412 HydrophobicContact CG2-CG 3.79Å; Q412-Q441 VanDerWaalsContact CG-CD 3.43Å; Q412-Q441 HydrophobicContact CG-CG 3.65Å; Q412-L442 WeakPolarHBondContact CG-O 3.26Å; Q412-L442 PolarHBondContact NE2-O 2.99Å; Q412-A443 CarbonylContact O-C 3.52Å; Q412-A443 VanDerWaalsContact O-CA 3.29Å; Q412-A443 WeakPolarHBondContact O-CA 3.49Å; Q412-I444 HydrophobicContact CB-CB 3.71Å; Q412-I444 HydrophobicContact CB-CD1 4.09Å; Q412-I444 HydrophobicContact CB-CG1 3.84Å; Q412-I444 PolarHBondContact N-O 3.41Å; Q412-I444 PolarHBondContact O-N 2.83Å
413P96.7Very high78.7Confident6 Ų644.3 Ų44.34%0.03925%0.253CS..  trans-72.8136.9-177.325.8-33.6000112.8Q58 C415 Q441 A489 S492Q58-P413 HydrophobicContact CB-CG 4.32Å; P413-C415 PolarHBondContact O-N 3.07Å; P413-C415 VanDerWaalsContact O-N 3.14Å; P413-C415 PolarHBondContact O-SG 3.07Å; P413-Q441 VanDerWaalsContact CD-NE2 3.27Å; P413-Q441 PolarHBondContact O-NE2 3.41Å; P413-A489 HydrophobicContact CB-CB 4Å; P413-A489 HydrophobicContact CG-CB 3.82Å; P413-S492 WeakPolarHBondContact CB-OG 3.21Å
414G95.1Very high76.7Confident4 Ų442.4 Ų42.44%0.04125%0.251CS..  trans-79.684.9175.300000112.9R440 Q441 T486G414-R440 PolarHBondContact O-NH1 3.4Å; G414-R440 VanDerWaalsContact O-NH1 3.08Å; G414-Q441 WeakPolarHBondContact CA-O 3.13Å; G414-T486 PolarHBondContact O-OG1 2.82Å
415C94.9Very high74.8Confident0 Ų043.2 Ų43.20%025%0.245CC..SBendtrans-143.8-178.3-170.959.90000112.8A55 P413 G417 R440 Q441 T486 A489A55-C415 VanDerWaalsContact CB-SG 3.56Å; P413-C415 PolarHBondContact O-N 3.07Å; P413-C415 VanDerWaalsContact O-N 3.14Å; P413-C415 PolarHBondContact O-SG 3.07Å; C415-G417 PolarHBondContact O-N 3.1Å; C415-R440 CarbonylContact O-C 3.44Å; C415-R440 WeakPolarHBondContact O-CA 3.36Å; C415-Q441 PolarHBondContact O-N 3.22Å; C415-T486 WeakPolarHBondContact CA-O 3.46Å; C415-A489 HydrophobicContact CB-CB 4.48Å
416R88.1Confident73.1Confident103 Ų10340.6 Ų40.639%0.38924%0.236SC..BIsolated β-bridgetrans-68.1123.4165.4-83.5-173.4165.8143.84.3109.5S438 E487R416-S438 WeakPolarHBondContact CB-OG 3.22Å; R416-E487 VanDerWaalsContact CB-O 3.3Å; R416-E487 WeakPolarHBondContact CB-O 3.43Å; R416-E487 IonicContact CZ-OE1 2.69Å; R416-E487 PolarHBondContact N-O 2.77Å; R416-E487 IonicContact NH1-OE1 3.36Å; R416-E487 PolarHBondContact NH1-OE1 3.37Å; R416-E487 IonicContact NH2-OE1 3.19Å
417G76.6Confident70.8Confident0 Ų045.6 Ų45.60%026%0.259CS..  trans-100.6168.4174.400000111.6C415 S438 E439C415-G417 PolarHBondContact O-N 3.1Å; G417-S438 WeakPolarHBondContact O-CA 3.33Å; G417-S438 PolarHBondContact O-OG 3.42Å; G417-E439 WeakPolarHBondContact CA-O 3.43Å; G417-E439 PolarHBondContact N-O 3.21Å
418S64.1Low68.4Low10 Ų1051.6 Ų51.67%0.0728%0.284CS..  trans-93.7112.2152.1113.30000105.7R8 E56 R429R8-S418 PolarHBondContact NH2-O 2.94Å; E56-S418 WeakPolarHBondContact OE1-CB 3.49Å; E56-S418 PolarHBondContact OE1-OG 2.89Å; S418-R429 PolarHBondContact OG-NH1 3.35Å
419M52.6Low65.9Low33 Ų3353.4 Ų53.416%0.16329%0.287CS..  trans-140.7128.2176.3-146.2162.5-162.300106.9R8 N423 E439R8-M419 HydrophobicContact CG-CE 4.29Å; R8-M419 PolarHBondContact NH2-SD 3.47Å; M419-N423 VanDerWaalsContact CE-OD1 3.29Å; M419-N423 WeakPolarHBondContact CE-OD1 3.33Å; M419-E439 HydrophobicContact CB-CB 4.21Å
420D43.8Very low63.1Low102 Ų10258.1 Ų58.155%0.54531%0.314SS..  trans-89.3149.4153.8-168.2-0.8000106.5N422 N423D420-N422 PolarHBondContact O-N 2.85Å; D420-N423 PolarHBondContact O-N 3.1Å
421S40.9Very low60.6Low88 Ų8863.2 Ų63.262%0.61533%0.331SS*.THydrogen-bonded Turntrans-60.90.2-168.456.50000115.4
422N42.3Very low57.8Low119 Ų11967.6 Ų67.664%0.63636%0.362SS*.THydrogen-bonded Turntrans-108.110.9-171.1-70-18.1000115.5D420 T424D420-N422 PolarHBondContact O-N 2.85Å; N422-T424 VanDerWaalsContact C-N 3.25Å; N422-T424 PolarHBondContact O-N 3.49Å
423N47.2Very low54.8Low75 Ų7571.7 Ų71.740%0.40139%0.39SS..  trans58.829.4172.3-146.825.3000114.7M419 D420M419-N423 VanDerWaalsContact CE-OD1 3.29Å; M419-N423 WeakPolarHBondContact CE-OD1 3.33Å; D420-N423 PolarHBondContact O-N 3.1Å
424T40.7Very low51.8Low47 Ų4777.3 Ų77.329%0.28843%0.43SS..  trans-80.1126.3-178.240.60000112N422 E428N422-T424 VanDerWaalsContact C-N 3.25Å; N422-T424 PolarHBondContact O-N 3.49Å; T424-E428 WeakPolarHBondContact CG2-OE2 3.3Å
425T39.8Very low49.1Very low73 Ų7381.6 Ų81.645%0.44846%0.459SS..  trans-74.8166.1178.255.20000111.5N427 E428T425-N427 PolarHBondContact O-N 3.35Å; T425-E428 PolarHBondContact O-N 3.3Å; T425-E428 VanDerWaalsContact O-N 3.13Å
426V44.6Very low46.7Very low51 Ų5186.4 Ų86.431%0.30948%0.484SS..G310 helixtrans-44.8-26.3-172.1-175.90000115.3Y28 E428Y28-V426 HydrophobicContact CD1-CG1 4.4Å; Y28-V426 HydrophobicContact CD2-CG1 4.15Å; Y28-V426 HydrophobicContact CE2-CG1 4.4Å; Y28-V426 HydrophobicContact CG-CG1 4.16Å; V426-E428 PolarHBondContact O-N 2.94Å
427N40.1Very low44.4Very low135 Ų13585 Ų8572%0.72249%0.494SS*.G310 helixtrans-78.8-10.7-175.4-71.1-26.7000115.4T425T425-N427 PolarHBondContact O-N 3.35Å
428E40.5Very low43.4Very low144 Ų14487.3 Ų87.367%0.67351%0.511SS*.G310 helixtrans-113.71.6-173.3-66.7-176.5-179.900114T424 T425 V426T424-E428 WeakPolarHBondContact CG2-OE2 3.3Å; T425-E428 PolarHBondContact O-N 3.3Å; T425-E428 VanDerWaalsContact O-N 3.13Å; V426-E428 PolarHBondContact O-N 2.94Å
429R46.5Very low43.9Very low66 Ų6691.8 Ų91.825%0.24953%0.531CS..  trans-88.7117.9179.1-76-170.8-109.9142.76.6111.4E56 S418 H431E56-R429 VanDerWaalsContact CD-NH2 3.33Å; E56-R429 IonicContact OE1-CZ 3.52Å; E56-R429 IonicContact OE1-NH1 3.3Å; E56-R429 PolarHBondContact OE1-NH1 3.16Å; E56-R429 IonicContact OE1-NH2 2.84Å; E56-R429 PolarHBondContact OE1-NH2 3.28Å; E56-R429 IonicContact OE2-CZ 3.81Å; E56-R429 IonicContact OE2-NH1 2.92Å; E56-R429 PolarHBondContact OE2-NH1 3.37Å; E56-R429 IonicContact OE2-NH2 3.46Å; E56-R429 PolarHBondContact OE2-NH2 2.93Å; S418-R429 PolarHBondContact OG-NH1 3.35Å; R429-H431 PolarHBondContact O-N 3.28Å
430D37.7Very low45.5Very low135 Ų13594.2 Ų94.272%0.72254%0.538SS*.  trans-72.9108.5162.4-159.5-15.3000108.2S432D430-S432 PolarHBondContact O-N 2.84Å; D430-S432 PolarHBondContact OD1-OG 2.89Å
431H46.2Very low47.8Very low133 Ų13389.5 Ų89.562%0.61651%0.513SS*.THydrogen-bonded Turntrans-70.616.5-170.9-68.4-54.3000114.9R429R429-H431 PolarHBondContact O-N 3.28Å
432S37.9Very low50.4Low94 Ų9486.7 Ų86.766%0.65749%0.491SS*.THydrogen-bonded Turntrans-97.3-9.6-174.7630000114.8D430D430-S432 PolarHBondContact O-N 2.84Å; D430-S432 PolarHBondContact OD1-OG 2.89Å
433S35.5Very low53Low87 Ų8781.1 Ų81.161%0.60846%0.461SS*.  trans-86.8117.8179.61750000112.4S435S433-S435 PolarHBondContact O-N 3.46Å
434S33.2Very low55.4Low125 Ų12577.7 Ų77.787%0.87444%0.443SS*.  trans-865.6-173.8620000115.3
435S37.3Very low58.2Low94 Ų9475.4 Ų75.466%0.65743%0.429SS*.  trans-101.581.3175.667.10000110.4S433 A437S433-S435 PolarHBondContact O-N 3.46Å; S435-A437 PolarHBondContact O-N 3.33Å
436L44.6Very low61Low100 Ų10072 Ų7252%0.52441%0.408SS..  trans-69.177.8167.4-85.7151.2000109.1L52 S438L52-L436 HydrophobicContact CD1-CD1 4Å; L52-L436 HydrophobicContact CD1-CD2 3.69Å; L52-L436 HydrophobicContact CD1-CG 4.4Å; L436-S438 PolarHBondContact O-N 2.9Å
437A40.9Very low63.5Low73 Ų7369.5 Ų69.560%0.60339%0.393SS*.  trans-63.5106.4162.200000106.8S435 E439S435-A437 PolarHBondContact O-N 3.33Å; A437-E439 PolarHBondContact O-N 3.4Å
438S55.3Low66.2Low50 Ų5063.1 Ų63.135%0.3536%0.359SS..  trans-87.499.8-177.5177.30000109.6R416 G417 L436R416-S438 WeakPolarHBondContact CB-OG 3.22Å; G417-S438 WeakPolarHBondContact O-CA 3.33Å; G417-S438 PolarHBondContact O-OG 3.42Å; L436-S438 PolarHBondContact O-N 2.9Å
439E74.3Confident68.8Low104 Ų10456.2 Ų56.249%0.48633%0.327SS..PPolyproline II helixtrans-82.7148.6164.7-77.5-170.8158.600110.9G417 M419 A437 Q441G417-E439 WeakPolarHBondContact CA-O 3.43Å; G417-E439 PolarHBondContact N-O 3.21Å; M419-E439 HydrophobicContact CB-CB 4.21Å; A437-E439 PolarHBondContact O-N 3.4Å; E439-Q441 PolarHBondContact O-N 2.97Å
440R87Confident70.9Confident83 Ų8355 Ų5531%0.31333%0.325SS..BIsolated β-bridgetrans-71.1128.7177.6172.5168-73.3-78.10.8109.9G414 C415 H485 T486G414-R440 PolarHBondContact O-NH1 3.4Å; G414-R440 VanDerWaalsContact O-NH1 3.08Å; C415-R440 CarbonylContact O-C 3.44Å; C415-R440 WeakPolarHBondContact O-CA 3.36Å; R440-H485 VanDerWaalsContact CZ-CD2 3.48Å; R440-H485 VanDerWaalsContact CZ-NE2 3.32Å; R440-H485 PolarHBondContact NE-CE1 3.36Å; R440-H485 PolarHBondContact NE-ND1 2.96Å; R440-H485 PolarHBondContact NE-NE2 3Å; R440-H485 VanDerWaalsContact NE-NE2 3.2Å; R440-H485 PolarHBondContact NH2-CD2 3.28Å; R440-H485 PolarHBondContact NH2-NE2 2.83Å; R440-T486 PolarHBondContact NH1-O 3.11Å; R440-T486 PolarHBondContact NH2-O 3.22Å
441Q91.7Very high73.2Confident3 Ų348.9 Ų48.91%0.01429%0.292CS..PPolyproline II helixtrans-73.3134.5168.2-174.8170.7-86.500109.9R8 T59 Q412 P413 G414 C415 E439R8-Q441 VanDerWaalsContact CZ-OE1 3.29Å; T59-Q441 PolarHBondContact OG1-NE2 3.45Å; Q412-Q441 VanDerWaalsContact CG-CD 3.43Å; Q412-Q441 HydrophobicContact CG-CG 3.65Å; P413-Q441 VanDerWaalsContact CD-NE2 3.27Å; P413-Q441 PolarHBondContact O-NE2 3.41Å; G414-Q441 WeakPolarHBondContact CA-O 3.13Å; C415-Q441 PolarHBondContact O-N 3.22Å; E439-Q441 PolarHBondContact O-N 2.97Å
442L94.9Very high74.5Confident29 Ų2946.9 Ų46.915%0.15229%0.289CS..PPolyproline II helixtrans-70.6143.2173.8-65.6178000110.8L388 Y391 Q412L388-L442 HydrophobicContact CD2-CD1 3.53Å; L388-L442 HydrophobicContact CD2-CD2 4.43Å; L388-L442 HydrophobicContact CG-CD1 4.03Å; L388-L442 HydrophobicContact CG-CD2 4.14Å; L388-L442 VanDerWaalsContact O-CD2 3.31Å; L388-L442 WeakPolarHBondContact O-CD2 3.44Å; Y391-L442 HydrophobicContact CD2-CD1 4.47Å; Y391-L442 HydrophobicContact CE2-CD1 3.85Å; Q412-L442 WeakPolarHBondContact CG-O 3.26Å; Q412-L442 PolarHBondContact NE2-O 2.99Å
443A96.9Very high76Confident3 Ų344.7 Ų44.73%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-76.3138.417300000110.5L389 G390 Y391 Q412 I482L389-A443 PolarHBondContact O-N 2.88Å; G390-A443 CarbonylContact C-O 3.49Å; G390-A443 WeakPolarHBondContact CA-O 3.33Å; Y391-A443 PolarHBondContact N-O 3.34Å; Q412-A443 CarbonylContact O-C 3.52Å; Q412-A443 VanDerWaalsContact O-CA 3.29Å; Q412-A443 WeakPolarHBondContact O-CA 3.49Å; A443-I482 HydrophobicContact CB-CD1 3.79Å; A443-I482 WeakPolarHBondContact O-CD1 3.42Å
444I98.2Very high77.8Confident2 Ų242.6 Ų42.61%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-134.6130.3172.8-52.5179.5000109.3C7 L9 Y391 Y393 L411 Q412C7-I444 HydrophobicContact CB-CD1 3.68Å; C7-I444 WeakPolarHBondContact SG-CD1 3.42Å; L9-I444 HydrophobicContact CD1-CB 4.09Å; L9-I444 HydrophobicContact CD1-CD1 4.14Å; L9-I444 HydrophobicContact CD1-CG2 3.73Å; Y391-I444 HydrophobicContact CD2-CD1 4.38Å; Y391-I444 HydrophobicContact CD2-CG1 4.37Å; Y391-I444 VanDerWaalsContact O-CA 3.29Å; Y391-I444 WeakPolarHBondContact O-CA 3.48Å; Y393-I444 HydrophobicContact CD2-CG2 4.21Å; Y393-I444 HydrophobicContact CE2-CG2 3.76Å; L411-I444 WeakPolarHBondContact CA-O 3.4Å; L411-I444 HydrophobicContact CB-CG2 4.4Å; L411-I444 WeakPolarHBondContact CB-O 3.28Å; L411-I444 HydrophobicContact CD1-CG2 4.37Å; L411-I444 PolarHBondContact N-O 3.07Å; Q412-I444 HydrophobicContact CB-CB 3.71Å; Q412-I444 HydrophobicContact CB-CD1 4.09Å; Q412-I444 HydrophobicContact CB-CG1 3.84Å; Q412-I444 PolarHBondContact N-O 3.41Å; Q412-I444 PolarHBondContact O-N 2.83Å
445A98.6Very high79.6Confident0 Ų040.3 Ų40.30%024%0.239CC..EExtended strand (participates in β ladder)trans-137.1160.3177.800000111.6Y391 F392 Y393 V408 F409 L478 Q481Y391-A445 PolarHBondContact O-N 3.27Å; F392-A445 CarbonylContact C-O 3.5Å; F392-A445 WeakPolarHBondContact CA-O 3.44Å; Y393-A445 PolarHBondContact N-O 3.47Å; V408-A445 HydrophobicContact CG1-CB 4.13Å; F409-A445 CarbonylContact O-C 3.57Å; F409-A445 WeakPolarHBondContact O-CA 3.32Å; A445-L478 HydrophobicContact CB-CD1 4.43Å; A445-L478 HydrophobicContact CB-CG 4.48Å; A445-Q481 HydrophobicContact CB-CB 3.9Å; A445-Q481 HydrophobicContact CB-CG 4.07Å
446A98.7Very high81.1Confident0 Ų045.9 Ų45.90%025%0.251CS..EExtended strand (participates in β ladder)trans-126.4127.6172.700000110.1F66 W371 Y393 V408 F409 L411F66-A446 HydrophobicContact CE1-CB 4.37Å; F66-A446 HydrophobicContact CE2-CB 4.29Å; F66-A446 HydrophobicContact CZ-CB 3.69Å; W371-A446 HydrophobicContact CH2-CB 3.81Å; W371-A446 HydrophobicContact CZ2-CB 4.31Å; Y393-A446 HydrophobicContact CD2-CB 4.47Å; V408-A446 CarbonylContact C-O 3.58Å; V408-A446 WeakPolarHBondContact CA-O 3.42Å; F409-A446 PolarHBondContact N-O 3.17Å; F409-A446 PolarHBondContact O-N 2.87Å; L411-A446 HydrophobicContact CD1-CB 3.81Å; L411-A446 HydrophobicContact CG-CB 4.43Å
447M98.5Very high82.2Confident0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-91.2126.3165.9174.4-177.6169.800109.1Y393 L394 D395 L396 V408 A449 F451 F471 E474 L478Y393-M447 PolarHBondContact O-N 3Å; L394-M447 HydrophobicContact CD2-CB 4.04Å; L394-M447 HydrophobicContact CD2-SD 4.15Å; D395-M447 PolarHBondContact N-O 2.96Å; L396-M447 HydrophobicContact CD2-CE 4.25Å; V408-M447 HydrophobicContact CG2-CB 4.17Å; V408-M447 HydrophobicContact CG2-CG 4.47Å; M447-A449 HydrophobicContact CE-CB 4.12Å; M447-F451 HydrophobicContact CE-CE2 4.35Å; M447-F451 HydrophobicContact CE-CZ 4.45Å; M447-F471 HydrophobicContact CE-CB 4.46Å; M447-F471 HydrophobicContact CE-CD2 3.25Å; M447-F471 HydrophobicContact CE-CE2 3.7Å; M447-F471 HydrophobicContact CE-CG 4.02Å; M447-F471 HydrophobicContact SD-CD2 3.65Å; M447-F471 HydrophobicContact SD-CE2 3.61Å; M447-E474 HydrophobicContact CE-CB 3.56Å; M447-E474 HydrophobicContact CE-CG 4.12Å; M447-E474 HydrophobicContact CG-CB 3.91Å; M447-E474 HydrophobicContact SD-CB 3.74Å; M447-L478 HydrophobicContact CB-CD1 3.54Å
448V96.9Very high83.8Confident0 Ų050.7 Ų50.70%027%0.265CS..EExtended strand (participates in β ladder)trans-113.2130.1177.4-177.90000107.6F66 T70 D395 K402 A406 A407 F409F66-V448 HydrophobicContact CE2-CG2 4.39Å; F66-V448 HydrophobicContact CZ-CG2 4.29Å; T70-V448 HydrophobicContact CG2-CG2 4.06Å; D395-V448 WeakPolarHBondContact O-CA 3.36Å; K402-V448 HydrophobicContact CD-CG1 4.48Å; K402-V448 HydrophobicContact CG-CG1 4.42Å; A406-V448 CarbonylContact C-O 2.9Å; A406-V448 WeakPolarHBondContact CA-O 3.49Å; A407-V448 PolarHBondContact N-O 3.19Å; A407-V448 PolarHBondContact O-N 3.27Å; F409-V448 HydrophobicContact CD2-CB 4.36Å; F409-V448 HydrophobicContact CD2-CG2 3.7Å; F409-V448 HydrophobicContact CE2-CB 3.96Å; F409-V448 HydrophobicContact CE2-CG2 3.64Å
449A94.5Very high84.6Confident0 Ų050.9 Ų50.90%028%0.275CS..  trans-144.5172.5174.600000110.7D395 L396 K402 A406 M447 F451D395-A449 PolarHBondContact O-N 3.28Å; L396-A449 CarbonylContact C-O 3.31Å; L396-A449 VanDerWaalsContact C-O 3.24Å; L396-A449 HydrophobicContact CD2-CB 4.3Å; L396-A449 CarbonylContact O-C 3.5Å; L396-A449 VanDerWaalsContact O-O 3.12Å; K402-A449 PolarHBondContact NZ-O 3.03Å; A406-A449 HydrophobicContact CB-CB 4.49Å; M447-A449 HydrophobicContact CE-CB 4.12Å; A449-F451 HydrophobicContact CB-CD2 4.02Å; A449-F451 HydrophobicContact CB-CE1 4.21Å; A449-F451 HydrophobicContact CB-CE2 3.67Å; A449-F451 HydrophobicContact CB-CG 4.43Å; A449-F451 HydrophobicContact CB-CZ 3.76Å
450N89.5Confident84.8Confident41 Ų4151 Ų5122%0.21928%0.275CS..  trans-131.844.7-177.8-67-69000111.5P398 Y403 G404 H405P398-N450 VanDerWaalsContact CA-OD1 3.3Å; P398-N450 WeakPolarHBondContact CA-OD1 3.43Å; P398-N450 HydrophobicContact CB-CB 4.12Å; Y403-N450 PolarHBondContact O-ND2 3.5Å; G404-N450 WeakPolarHBondContact CA-ND2 3.5Å; G404-N450 PolarHBondContact O-ND2 2.89Å; G404-N450 VanDerWaalsContact O-ND2 3.1Å; H405-N450 PolarHBondContact O-ND2 3.39Å
451F86.9Confident84.7Confident6 Ų647.4 Ų47.43%0.02626%0.264CS..PPolyproline II helixtrans-65.2136.6176.3-57.2-40000110L343 L396 H397 P398 M447 A449 A453 L463 E467 F471L343-F451 HydrophobicContact CD1-CD2 4.14Å; L396-F451 HydrophobicContact CB-CD2 4.23Å; L396-F451 HydrophobicContact CD2-CD2 4.43Å; L396-F451 HydrophobicContact CD2-CE2 4.25Å; L396-F451 PolarHBondContact O-N 2.83Å; H397-F451 PolarHBondContact ND1-O 2.86Å; P398-F451 WeakPolarHBondContact CD-O 3.37Å; M447-F451 HydrophobicContact CE-CE2 4.35Å; M447-F451 HydrophobicContact CE-CZ 4.45Å; A449-F451 HydrophobicContact CB-CD2 4.02Å; A449-F451 HydrophobicContact CB-CE1 4.21Å; A449-F451 HydrophobicContact CB-CE2 3.67Å; A449-F451 HydrophobicContact CB-CG 4.43Å; A449-F451 HydrophobicContact CB-CZ 3.76Å; F451-A453 PolarHBondContact O-N 2.65Å; F451-A453 VanDerWaalsContact O-N 3.17Å; F451-L463 HydrophobicContact CB-CD2 3.59Å; F451-L463 HydrophobicContact CD1-CD2 3.92Å; F451-L463 HydrophobicContact CD2-CD2 4.24Å; F451-L463 HydrophobicContact CG-CD2 3.65Å; F451-E467 HydrophobicContact CD1-CB 3.86Å; F451-E467 HydrophobicContact CD1-CG 4.08Å; F451-E467 HydrophobicContact CE1-CB 3.8Å; F451-E467 HydrophobicContact CE1-CG 4.28Å; F451-E467 WeakPolarHBondContact CE1-O 3.41Å; F451-F471 HydrophobicContact CD2-CD1 4.45Å; F451-F471 HydrophobicContact CE2-CB 3.94Å; F451-F471 AromaticContact CE2-CD1 3.66Å; F451-F471 HydrophobicContact CE2-CD1 3.66Å; F451-F471 HydrophobicContact CE2-CD2 4.43Å; F451-F471 HydrophobicContact CE2-CE1 4.26Å; F451-F471 AromaticContact CE2-CG 3.76Å; F451-F471 HydrophobicContact CE2-CG 3.76Å; F451-F471 HydrophobicContact CZ-CB 3.7Å; F451-F471 HydrophobicContact CZ-CD1 4.29Å; F451-F471 HydrophobicContact CZ-CG 4.05Å
452T73.4Confident84.6Confident91 Ų9150.3 Ų50.356%0.55828%0.277SS*.PPolyproline II helixtrans-47.4125.7-178.8-55.60000109.9
453A68.5Low84.4Confident47 Ų4748.9 Ų48.939%0.38827%0.27SS..PPolyproline II helixtrans-58146179.600000109.7F451 D455F451-A453 PolarHBondContact O-N 2.65Å; F451-A453 VanDerWaalsContact O-N 3.17Å; A453-D455 PolarHBondContact O-N 3.11Å
454P74.6Confident84.1Confident43 Ų4351.4 Ų51.428%0.27928%0.282SS..PPolyproline II helixtrans-53.3143.9175.3-22.232.3000111.2K456 G459P454-K456 PolarHBondContact O-N 2.74Å; P454-G459 VanDerWaalsContact CB-C 3.48Å; P454-G459 VanDerWaalsContact CB-O 3.29Å; P454-G459 WeakPolarHBondContact CB-O 3.38Å
455D71.7Confident83.9Confident78 Ų7851.7 Ų51.742%0.41728%0.283SS..PPolyproline II helixtrans-54.9136.8173.5167.7-98.4000109.9A453 E457 T458 G459 Q460A453-D455 PolarHBondContact O-N 3.11Å; D455-E457 VanDerWaalsContact C-N 3.3Å; D455-E457 PolarHBondContact O-N 3.45Å; D455-E457 PolarHBondContact OD1-N 2.8Å; D455-E457 VanDerWaalsContact OD1-N 3.07Å; D455-T458 WeakPolarHBondContact CB-OG1 3.36Å; D455-T458 WeakPolarHBondContact OD1-CB 3.38Å; D455-T458 WeakPolarHBondContact OD1-CG2 3.48Å; D455-T458 PolarHBondContact OD1-N 3.41Å; D455-T458 PolarHBondContact OD1-OG1 2.77Å; D455-G459 WeakPolarHBondContact O-CA 3.34Å; D455-G459 PolarHBondContact O-N 3.14Å; D455-Q460 PolarHBondContact N-O 2.93Å
456K66.8Low83.5Confident210 Ų21054 Ų5491%0.91330%0.299SS*.THydrogen-bonded Turntrans-70.4-26.9-170.5-70-174.1179.4-179.50113P454P454-K456 PolarHBondContact O-N 2.74Å
457E68.5Low83.2Confident185 Ų18555.7 Ų55.786%0.86431%0.307SS*.THydrogen-bonded Turntrans-84.4-45-178.9-66.8-171.3163.600111.4D455D455-E457 VanDerWaalsContact C-N 3.3Å; D455-E457 PolarHBondContact O-N 3.45Å; D455-E457 PolarHBondContact OD1-N 2.8Å; D455-E457 VanDerWaalsContact OD1-N 3.07Å
458T74.5Confident83Confident89 Ų8955.7 Ų55.755%0.54631%0.307SS..THydrogen-bonded Turntrans-91.6-19.7-175.361.40000113.3D455 Q460D455-T458 WeakPolarHBondContact CB-OG1 3.36Å; D455-T458 WeakPolarHBondContact OD1-CB 3.38Å; D455-T458 WeakPolarHBondContact OD1-CG2 3.48Å; D455-T458 PolarHBondContact OD1-N 3.41Å; D455-T458 PolarHBondContact OD1-OG1 2.77Å; T458-Q460 PolarHBondContact O-N 2.77Å; T458-Q460 PolarHBondContact OG1-N 2.97Å
459G72.5Confident83Confident54 Ų5457.6 Ų57.656%0.55732%0.317SS*.  trans67.111.4-171.400000113.8P454 D455P454-G459 VanDerWaalsContact CB-C 3.48Å; P454-G459 VanDerWaalsContact CB-O 3.29Å; P454-G459 WeakPolarHBondContact CB-O 3.38Å; D455-G459 WeakPolarHBondContact O-CA 3.34Å; D455-G459 PolarHBondContact O-N 3.14Å
460Q78.5Confident83Confident107 Ų10760 Ų6050%0.533%0.331SS..  trans-102125.3-178.2-72.4-170.8-25.500111.9D455 T458 F462D455-Q460 PolarHBondContact N-O 2.93Å; T458-Q460 PolarHBondContact O-N 2.77Å; T458-Q460 PolarHBondContact OG1-N 2.97Å; Q460-F462 HydrophobicContact CB-CE2 3.94Å; Q460-F462 HydrophobicContact CB-CZ 4.15Å
461G85.1Confident83.4Confident8 Ų858.1 Ų58.18%0.08232%0.321CS..  trans-107.3142.4169.200000109.7P342 L343P342-G461 CarbonylContact C-O 3.45Å; P342-G461 WeakPolarHBondContact CA-O 3.5Å; L343-G461 PolarHBondContact N-O 3.02Å
462F89.7Confident83.8Confident63 Ų6358 Ų5828%0.27632%0.321SS..BIsolated β-bridgetrans-122.5140.3179.6-64.3-83.5000109.7K338 K339 F341 P342 Q460K338-F462 HydrophobicContact CB-CB 4.37Å; K338-F462 HydrophobicContact CG-CB 4.06Å; K338-F462 WeakPolarHBondContact O-CB 3.5Å; K338-F462 WeakPolarHBondContact O-CD1 3.41Å; K339-F462 WeakPolarHBondContact O-CD1 3.38Å; K339-F462 VanDerWaalsContact O-CE1 3.29Å; K339-F462 WeakPolarHBondContact O-CE1 3.26Å; F341-F462 WeakPolarHBondContact O-CA 3.47Å; P342-F462 HydrophobicContact CB-CE1 4.4Å; P342-F462 HydrophobicContact CG-CD1 4.35Å; P342-F462 HydrophobicContact CG-CE1 4.05Å; Q460-F462 HydrophobicContact CB-CE2 3.94Å; Q460-F462 HydrophobicContact CB-CZ 4.15Å
463L91Very high85Confident0 Ų054.8 Ų54.80%030%0.299CS..  trans-102.3141.8178.6-60.4-175.6000110.7K338 F341 L343 V346 F451 E467 V468 F471K338-L463 WeakPolarHBondContact CA-O 3.38Å; K338-L463 WeakPolarHBondContact CB-O 3.07Å; F341-L463 HydrophobicContact CB-CB 4.2Å; F341-L463 WeakPolarHBondContact CB-O 3.38Å; F341-L463 PolarHBondContact O-N 3Å; L343-L463 HydrophobicContact CB-CG 4.35Å; L343-L463 HydrophobicContact CD1-CD1 3.87Å; L343-L463 HydrophobicContact CD1-CD2 4.19Å; L343-L463 HydrophobicContact CD1-CG 4.26Å; V346-L463 HydrophobicContact CB-CD1 4.16Å; V346-L463 HydrophobicContact CG1-CD1 3.95Å; V346-L463 HydrophobicContact CG2-CD1 4.33Å; F451-L463 HydrophobicContact CB-CD2 3.59Å; F451-L463 HydrophobicContact CD1-CD2 3.92Å; F451-L463 HydrophobicContact CD2-CD2 4.24Å; F451-L463 HydrophobicContact CG-CD2 3.65Å; L463-E467 WeakPolarHBondContact CA-OE2 3.27Å; L463-E467 HydrophobicContact CB-CB 4.06Å; L463-E467 HydrophobicContact CD2-CB 4.17Å; L463-V468 HydrophobicContact CB-CG2 3.74Å; L463-V468 HydrophobicContact CD1-CG2 4.03Å; L463-F471 HydrophobicContact CD1-CD1 4.46Å
464L89.6Confident86.4Confident55 Ų5553.4 Ų53.429%0.28829%0.285SS..  trans-63.9154157.3-62.8173.7000109.3K338 S466 E467 V468K338-L464 HydrophobicContact CB-CD2 4.22Å; L464-S466 PolarHBondContact O-N 2.6Å; L464-E467 HydrophobicContact CB-CB 4.49Å; L464-E467 HydrophobicContact CB-CG 4.2Å; L464-E467 PolarHBondContact N-OE2 3.49Å; L464-E467 WeakPolarHBondContact O-CA 3.44Å; L464-E467 WeakPolarHBondContact O-CB 3.22Å; L464-E467 PolarHBondContact O-N 2.83Å; L464-V468 WeakPolarHBondContact O-CG2 3.22Å; L464-V468 PolarHBondContact O-N 2.96Å
465H93.3Very high87.5Confident8 Ų851.4 Ų51.44%0.03727%0.272CS..Hα-helixtrans-58.1-36.1176.5177.4-100.8000112.4L337 F341 E467 V468 E469 V512 W513 L537L337-H465 HydrophobicContact CD2-CB 4.12Å; F341-H465 HydrophobicContact CE2-CB 4.01Å; F341-H465 HydrophobicContact CZ-CB 4.34Å; F341-H465 AromaticContact CZ-CD2 3.81Å; H465-E467 VanDerWaalsContact C-N 3.32Å; H465-E467 PolarHBondContact O-N 3.22Å; H465-V468 WeakPolarHBondContact O-CB 3.15Å; H465-V468 PolarHBondContact O-N 3.3Å; H465-V468 VanDerWaalsContact O-N 3.14Å; H465-E469 PolarHBondContact O-N 3.49Å; H465-V512 PolarHBondContact NE2-O 2.78Å; H465-W513 AromaticContact CE1-CD2 3.74Å; H465-W513 AromaticContact CE1-CE2 3.54Å; H465-W513 AromaticContact CE1-CE3 3.75Å; H465-W513 AromaticContact CE1-CH2 3.46Å; H465-W513 VanDerWaalsContact CE1-CH2 3.46Å; H465-W513 WeakPolarHBondContact CE1-CH2 3.37Å; H465-W513 AromaticContact CE1-CZ2 3.42Å; H465-W513 VanDerWaalsContact CE1-CZ2 3.42Å; H465-W513 WeakPolarHBondContact CE1-CZ2 3.5Å; H465-W513 AromaticContact CE1-CZ3 3.62Å; H465-W513 AromaticContact ND1-CH2 3.67Å; H465-W513 AromaticContact ND1-CZ2 3.8Å; H465-L537 HydrophobicContact CB-CD1 4.46Å
466S90.5Very high88.7Confident48 Ų4847.7 Ų47.734%0.33625%0.252SS..Hα-helixtrans-65.4-30.4173.353.80000113.8L464 T470L464-S466 PolarHBondContact O-N 2.6Å; S466-T470 WeakPolarHBondContact O-CB 3.48Å; S466-T470 PolarHBondContact O-N 2.8Å; S466-T470 PolarHBondContact O-OG1 3.29Å
467E91.9Very high90.2Very high36 Ų3638.4 Ų38.417%0.16821%0.211CC..Hα-helixtrans-73.4-34.7172.3-69.1176119.100111F451 L463 L464 H465 T470 F471F451-E467 HydrophobicContact CD1-CB 3.86Å; F451-E467 HydrophobicContact CD1-CG 4.08Å; F451-E467 HydrophobicContact CE1-CB 3.8Å; F451-E467 HydrophobicContact CE1-CG 4.28Å; F451-E467 WeakPolarHBondContact CE1-O 3.41Å; L463-E467 WeakPolarHBondContact CA-OE2 3.27Å; L463-E467 HydrophobicContact CB-CB 4.06Å; L463-E467 HydrophobicContact CD2-CB 4.17Å; L464-E467 HydrophobicContact CB-CB 4.49Å; L464-E467 HydrophobicContact CB-CG 4.2Å; L464-E467 PolarHBondContact N-OE2 3.49Å; L464-E467 WeakPolarHBondContact O-CA 3.44Å; L464-E467 WeakPolarHBondContact O-CB 3.22Å; L464-E467 PolarHBondContact O-N 2.83Å; H465-E467 VanDerWaalsContact C-N 3.32Å; H465-E467 PolarHBondContact O-N 3.22Å; E467-T470 PolarHBondContact O-N 2.88Å; E467-F471 WeakPolarHBondContact O-CB 3.48Å; E467-F471 PolarHBondContact O-N 3.03Å
468V95.8Very high91.6Very high0 Ų029.6 Ų29.60%017%0.17CC..Hα-helixtrans-64.5-43.9172.1-177.80000110.9F341 V346 L463 L464 H465 F471 F472 V512 L521F341-V468 HydrophobicContact CB-CG2 3.92Å; F341-V468 HydrophobicContact CD1-CG2 3.8Å; F341-V468 HydrophobicContact CE1-CG2 4.43Å; F341-V468 HydrophobicContact CG-CG2 3.86Å; V346-V468 HydrophobicContact CG1-CB 4.5Å; V346-V468 HydrophobicContact CG1-CG1 3.88Å; V346-V468 HydrophobicContact CG1-CG2 4.21Å; V346-V468 HydrophobicContact CG2-CG2 3.99Å; L463-V468 HydrophobicContact CB-CG2 3.74Å; L463-V468 HydrophobicContact CD1-CG2 4.03Å; L464-V468 WeakPolarHBondContact O-CG2 3.22Å; L464-V468 PolarHBondContact O-N 2.96Å; H465-V468 WeakPolarHBondContact O-CB 3.15Å; H465-V468 PolarHBondContact O-N 3.3Å; H465-V468 VanDerWaalsContact O-N 3.14Å; V468-F471 PolarHBondContact O-N 3.49Å; V468-F472 PolarHBondContact O-N 2.74Å; V468-V512 HydrophobicContact CG1-CG1 3.85Å; V468-L521 HydrophobicContact CG1-CD2 3.67Å
469E96.5Very high92.8Very high41 Ų4125.3 Ų25.319%0.19214%0.144CC..Hα-helixtrans-58-49.3172.7-175.1171.5-139.700111.2H465 F471 F472 H473 E509 V512 W513H465-E469 PolarHBondContact O-N 3.49Å; E469-F471 VanDerWaalsContact C-N 3.28Å; E469-F471 PolarHBondContact O-N 3.32Å; E469-F472 WeakPolarHBondContact O-CB 3.44Å; E469-F472 PolarHBondContact O-N 3.21Å; E469-F472 VanDerWaalsContact O-N 3.1Å; E469-H473 WeakPolarHBondContact O-CB 3.43Å; E469-H473 PolarHBondContact O-N 3.18Å; E469-E509 HydrophobicContact CG-CB 4.1Å; E469-E509 HydrophobicContact CG-CG 3.85Å; E469-V512 HydrophobicContact CB-CG2 3.81Å; E469-V512 HydrophobicContact CG-CG2 4.02Å; E469-W513 PolarHBondContact OE1-NE1 2.91Å
470T95.2Very high94Very high51 Ų5122.8 Ų22.831%0.31312%0.118SC..Hα-helixtrans-58.7-40.3175.9-58.20000111.5A406 S466 E467 H473 E474A406-T470 HydrophobicContact CB-CG2 3.35Å; S466-T470 WeakPolarHBondContact O-CB 3.48Å; S466-T470 PolarHBondContact O-N 2.8Å; S466-T470 PolarHBondContact O-OG1 3.29Å; E467-T470 PolarHBondContact O-N 2.88Å; T470-H473 PolarHBondContact O-N 2.94Å; T470-E474 HydrophobicContact CG2-CG 4.46Å; T470-E474 WeakPolarHBondContact O-CG 3.3Å; T470-E474 PolarHBondContact O-N 3.01Å
471F97Very high95Very high1 Ų118.7 Ų18.70%0.00410%0.099CC..Hα-helixtrans-63.1-45.9176.2-160.3168.1000110.7L343 V346 K347 I350 L396 M447 F451 L463 E467 V468 E469 H473 E474 F475L343-F471 HydrophobicContact CD1-CE1 4.2Å; V346-F471 HydrophobicContact CG1-CD1 4.08Å; K347-F471 HydrophobicContact CB-CE1 3.98Å; K347-F471 HydrophobicContact CB-CZ 4.25Å; K347-F471 HydrophobicContact CG-CE1 4.35Å; K347-F471 HydrophobicContact CG-CZ 4.12Å; I350-F471 HydrophobicContact CD1-CB 3.67Å; I350-F471 HydrophobicContact CD1-CD1 3.5Å; I350-F471 VanDerWaalsContact CD1-CD1 3.5Å; I350-F471 HydrophobicContact CD1-CD2 3.64Å; I350-F471 HydrophobicContact CD1-CE1 4Å; I350-F471 HydrophobicContact CD1-CE2 4.13Å; I350-F471 HydrophobicContact CD1-CG 3.3Å; I350-F471 HydrophobicContact CD1-CZ 4.29Å; L396-F471 HydrophobicContact CD1-CE1 4.15Å; L396-F471 HydrophobicContact CD1-CZ 3.97Å; L396-F471 HydrophobicContact CD2-CE2 4.33Å; L396-F471 HydrophobicContact CD2-CZ 4.14Å; M447-F471 HydrophobicContact CE-CB 4.46Å; M447-F471 HydrophobicContact CE-CD2 3.25Å; M447-F471 HydrophobicContact CE-CE2 3.7Å; M447-F471 HydrophobicContact CE-CG 4.02Å; M447-F471 HydrophobicContact SD-CD2 3.65Å; M447-F471 HydrophobicContact SD-CE2 3.61Å; F451-F471 HydrophobicContact CD2-CD1 4.45Å; F451-F471 HydrophobicContact CE2-CB 3.94Å; F451-F471 AromaticContact CE2-CD1 3.66Å; F451-F471 HydrophobicContact CE2-CD1 3.66Å; F451-F471 HydrophobicContact CE2-CD2 4.43Å; F451-F471 HydrophobicContact CE2-CE1 4.26Å; F451-F471 AromaticContact CE2-CG 3.76Å; F451-F471 HydrophobicContact CE2-CG 3.76Å; F451-F471 HydrophobicContact CZ-CB 3.7Å; F451-F471 HydrophobicContact CZ-CD1 4.29Å; F451-F471 HydrophobicContact CZ-CG 4.05Å; L463-F471 HydrophobicContact CD1-CD1 4.46Å; E467-F471 WeakPolarHBondContact O-CB 3.48Å; E467-F471 PolarHBondContact O-N 3.03Å; V468-F471 PolarHBondContact O-N 3.49Å; E469-F471 VanDerWaalsContact C-N 3.28Å; E469-F471 PolarHBondContact O-N 3.32Å; F471-H473 VanDerWaalsContact C-N 3.34Å; F471-H473 PolarHBondContact O-N 3.3Å; F471-E474 PolarHBondContact O-N 3.4Å; F471-F475 HydrophobicContact CE2-CD2 4.25Å; F471-F475 WeakPolarHBondContact O-CB 3.41Å; F471-F475 PolarHBondContact O-N 2.93Å
472F96Very high95.6Very high3 Ų318.5 Ų18.51%0.01310%0.096CC..Hα-helixtrans-59.3-44.8176-113.6-91.1000112.6I350 L353 Y354 V468 E469 F475 G476 L508 W511 V512 L521I350-F472 HydrophobicContact CB-CE2 4.49Å; I350-F472 HydrophobicContact CD1-CD2 3.83Å; I350-F472 HydrophobicContact CD1-CE2 4.14Å; I350-F472 HydrophobicContact CG1-CD2 3.58Å; I350-F472 HydrophobicContact CG1-CE2 3.37Å; I350-F472 HydrophobicContact CG1-CZ 4.17Å; L353-F472 HydrophobicContact CB-CZ 4.49Å; L353-F472 HydrophobicContact CD1-CE2 4.43Å; L353-F472 HydrophobicContact CD1-CZ 3.74Å; Y354-F472 AromaticContact CE2-CD1 3.96Å; Y354-F472 HydrophobicContact CE2-CD1 3.96Å; Y354-F472 AromaticContact CE2-CE1 3.81Å; Y354-F472 HydrophobicContact CE2-CE1 3.81Å; Y354-F472 HydrophobicContact CE2-CZ 4.39Å; Y354-F472 PolarHBondContact OH-O 3.23Å; V468-F472 PolarHBondContact O-N 2.74Å; E469-F472 WeakPolarHBondContact O-CB 3.44Å; E469-F472 PolarHBondContact O-N 3.21Å; E469-F472 VanDerWaalsContact O-N 3.1Å; F472-F475 PolarHBondContact O-N 3.19Å; F472-G476 PolarHBondContact O-N 2.83Å; F472-G476 VanDerWaalsContact O-N 3.08Å; F472-L508 HydrophobicContact CD1-CB 4.4Å; F472-L508 WeakPolarHBondContact CD1-O 3.42Å; F472-W511 HydrophobicContact CD1-CB 4.23Å; F472-W511 HydrophobicContact CE1-CB 3.71Å; F472-W511 HydrophobicContact CE1-CG 4.09Å; F472-W511 HydrophobicContact CZ-CB 4.03Å; F472-W511 HydrophobicContact CZ-CG 4.5Å; F472-V512 HydrophobicContact CB-CG1 4.14Å; F472-V512 HydrophobicContact CD2-CG1 3.48Å; F472-V512 VanDerWaalsContact CD2-CG1 3.48Å; F472-V512 HydrophobicContact CE2-CG1 4.02Å; F472-V512 HydrophobicContact CG-CG1 3.85Å; F472-L521 HydrophobicContact CD2-CD2 4.41Å; F472-L521 HydrophobicContact CE2-CD1 3.77Å; F472-L521 HydrophobicContact CE2-CD2 3.86Å; F472-L521 HydrophobicContact CE2-CG 4.33Å
473H97.2Very high96Very high24 Ų2415.9 Ų15.911%0.1119%0.085CC..Hα-helixtrans-56.4-57.6177.7177.7103000111.2E469 T470 F471 F475 G476 H477 E502 S505 E509E469-H473 WeakPolarHBondContact O-CB 3.43Å; E469-H473 PolarHBondContact O-N 3.18Å; T470-H473 PolarHBondContact O-N 2.94Å; F471-H473 VanDerWaalsContact C-N 3.34Å; F471-H473 PolarHBondContact O-N 3.3Å; H473-F475 VanDerWaalsContact C-N 3.3Å; H473-F475 PolarHBondContact O-N 3.41Å; H473-G476 WeakPolarHBondContact O-CA 3.22Å; H473-G476 PolarHBondContact O-N 3.45Å; H473-H477 AromaticContact CD2-CD2 3.74Å; H473-H477 AromaticContact CD2-NE2 3.89Å; H473-H477 AromaticContact CE1-NE2 3.93Å; H473-H477 AromaticContact NE2-CD2 3.48Å; H473-H477 PolarHBondContact NE2-CD2 3.36Å; H473-H477 AromaticContact NE2-NE2 3.14Å; H473-H477 PolarHBondContact NE2-NE2 3Å; H473-H477 VanDerWaalsContact NE2-NE2 3.14Å; H473-H477 PolarHBondContact O-N 3.3Å; H473-E502 IonicContact CE1-OE2 3.15Å; H473-E502 PolarHBondContact CE1-OE2 3.4Å; H473-E502 IonicContact NE2-OE2 2.69Å; H473-E502 PolarHBondContact NE2-OE2 3.04Å; H473-E502 VanDerWaalsContact NE2-OE2 3.16Å; H473-S505 VanDerWaalsContact O-CB 3.3Å; H473-S505 WeakPolarHBondContact O-CB 3.34Å; H473-S505 PolarHBondContact O-OG 2.75Å; H473-E509 HydrophobicContact CB-CG 4.11Å; H473-E509 IonicContact CE1-OE1 2.74Å; H473-E509 IonicContact CG-OE1 3.64Å; H473-E509 IonicContact ND1-OE1 3.62Å; H473-E509 PolarHBondContact ND1-OE1 3.32Å
474E98Very high96.3Very high18 Ų1816.1 Ų16.18%0.0849%0.087CC..Hα-helixtrans-65.2-35.9-177.2-65.5-54.2155.300112.1A406 A407 V408 M447 T470 F471 G476 H477 L478A406-E474 HydrophobicContact CB-CG 3.82Å; A407-E474 WeakPolarHBondContact CA-OE2 3.3Å; V408-E474 HydrophobicContact CG2-CB 4.16Å; V408-E474 WeakPolarHBondContact CG2-O 3.31Å; V408-E474 PolarHBondContact N-OE2 3.26Å; V408-E474 VanDerWaalsContact N-OE2 3.11Å; M447-E474 HydrophobicContact CE-CB 3.56Å; M447-E474 HydrophobicContact CE-CG 4.12Å; M447-E474 HydrophobicContact CG-CB 3.91Å; M447-E474 HydrophobicContact SD-CB 3.74Å; T470-E474 HydrophobicContact CG2-CG 4.46Å; T470-E474 WeakPolarHBondContact O-CG 3.3Å; T470-E474 PolarHBondContact O-N 3.01Å; F471-E474 PolarHBondContact O-N 3.4Å; E474-G476 PolarHBondContact O-N 3.12Å; E474-H477 PolarHBondContact O-N 2.86Å; E474-H477 VanDerWaalsContact O-N 3.16Å; E474-H477 IonicContact OE2-CD2 3.79Å; E474-L478 PolarHBondContact O-N 2.78Å
475F98Very high96.6Very high1 Ų117.4 Ų17.40%0.0049%0.091CC..Hα-helixtrans-65-25.6175.1-153.1-86.6000111.9I350 L351 Y354 F362 F392 L394 F471 F472 H473 L478 M479I350-F475 HydrophobicContact CG2-CB 4.08Å; I350-F475 HydrophobicContact CG2-CD1 4Å; I350-F475 HydrophobicContact CG2-CD2 3.9Å; I350-F475 HydrophobicContact CG2-CE1 4.41Å; I350-F475 HydrophobicContact CG2-CE2 4.34Å; I350-F475 HydrophobicContact CG2-CG 3.7Å; L351-F475 HydrophobicContact CD2-CE2 3.74Å; L351-F475 HydrophobicContact CD2-CZ 3.61Å; Y354-F475 AromaticContact CD1-CD1 3.91Å; Y354-F475 HydrophobicContact CD1-CD1 3.91Å; Y354-F475 HydrophobicContact CD1-CE1 4.21Å; Y354-F475 AromaticContact CD2-CD1 3.21Å; Y354-F475 HydrophobicContact CD2-CD1 3.21Å; Y354-F475 AromaticContact CD2-CE1 3.64Å; Y354-F475 HydrophobicContact CD2-CE1 3.64Å; Y354-F475 HydrophobicContact CD2-CG 4.11Å; Y354-F475 HydrophobicContact CE1-CD1 4.02Å; Y354-F475 HydrophobicContact CE2-CB 3.87Å; Y354-F475 AromaticContact CE2-CD1 3.37Å; Y354-F475 HydrophobicContact CE2-CD1 3.37Å; Y354-F475 HydrophobicContact CE2-CE1 4.26Å; Y354-F475 AromaticContact CE2-CG 3.96Å; Y354-F475 HydrophobicContact CE2-CG 3.96Å; Y354-F475 AromaticContact CG-CD1 3.48Å; Y354-F475 HydrophobicContact CG-CD1 3.48Å; Y354-F475 VanDerWaalsContact CG-CD1 3.48Å; Y354-F475 AromaticContact CG-CE1 3.59Å; Y354-F475 HydrophobicContact CG-CE1 3.59Å; Y354-F475 AromaticContact CZ-CD1 3.76Å; F362-F475 HydrophobicContact CD2-CZ 4.45Å; F362-F475 AromaticContact CE2-CE1 3.91Å; F362-F475 HydrophobicContact CE2-CE1 3.91Å; F362-F475 AromaticContact CE2-CZ 3.8Å; F362-F475 HydrophobicContact CE2-CZ 3.8Å; F362-F475 HydrophobicContact CZ-CE1 4.13Å; F362-F475 HydrophobicContact CZ-CZ 4.25Å; F392-F475 HydrophobicContact CE1-CZ 4.14Å; F392-F475 AromaticContact CE2-CE2 3.99Å; F392-F475 HydrophobicContact CE2-CE2 3.99Å; F392-F475 HydrophobicContact CE2-CZ 4.32Å; F392-F475 HydrophobicContact CZ-CE2 4.01Å; F392-F475 AromaticContact CZ-CZ 3.86Å; F392-F475 HydrophobicContact CZ-CZ 3.86Å; L394-F475 HydrophobicContact CD2-CD2 4.48Å; L394-F475 HydrophobicContact CD2-CE2 4.33Å; F471-F475 HydrophobicContact CE2-CD2 4.25Å; F471-F475 WeakPolarHBondContact O-CB 3.41Å; F471-F475 PolarHBondContact O-N 2.93Å; F472-F475 PolarHBondContact O-N 3.19Å; H473-F475 VanDerWaalsContact C-N 3.3Å; H473-F475 PolarHBondContact O-N 3.41Å; F475-L478 HydrophobicContact CD2-CD2 4.32Å; F475-L478 HydrophobicContact CE2-CD2 3.97Å; F475-L478 HydrophobicContact CZ-CD2 4.13Å; F475-L478 WeakPolarHBondContact O-CB 3.28Å; F475-L478 PolarHBondContact O-N 3.29Å; F475-M479 HydrophobicContact CD1-CE 4.42Å; F475-M479 HydrophobicContact CD1-CG 3.86Å; F475-M479 HydrophobicContact CE1-CE 3.67Å; F475-M479 HydrophobicContact CE1-CG 3.77Å; F475-M479 HydrophobicContact CE1-SD 3.98Å; F475-M479 HydrophobicContact CZ-CE 3.9Å; F475-M479 WeakPolarHBondContact O-CG 3.37Å; F475-M479 PolarHBondContact O-N 3.16Å
476G97.7Very high96.7Very high0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-61.9-50.1169.500000112.6Y354 F472 H473 E474 L478 M479 H480Y354-G476 PolarHBondContact OH-N 3.4Å; F472-G476 PolarHBondContact O-N 2.83Å; F472-G476 VanDerWaalsContact O-N 3.08Å; H473-G476 WeakPolarHBondContact O-CA 3.22Å; H473-G476 PolarHBondContact O-N 3.45Å; E474-G476 PolarHBondContact O-N 3.12Å; G476-L478 VanDerWaalsContact C-N 3.28Å; G476-L478 PolarHBondContact O-N 3.04Å; G476-M479 PolarHBondContact O-N 2.76Å; G476-H480 PolarHBondContact O-N 3.4Å
477H98Very high96.9Very high14 Ų1416.4 Ų16.47%0.0658%0.081CC..Hα-helixtrans-58.9-41.4173.2-75.4-52.7000111.8V408 H473 E474 M479 H480 Q481 V501 E502 S505V408-H477 HydrophobicContact CB-CB 3.82Å; V408-H477 HydrophobicContact CG1-CB 4.33Å; V408-H477 HydrophobicContact CG2-CB 3.74Å; H473-H477 AromaticContact CD2-CD2 3.74Å; H473-H477 AromaticContact CD2-NE2 3.89Å; H473-H477 AromaticContact CE1-NE2 3.93Å; H473-H477 AromaticContact NE2-CD2 3.48Å; H473-H477 PolarHBondContact NE2-CD2 3.36Å; H473-H477 AromaticContact NE2-NE2 3.14Å; H473-H477 PolarHBondContact NE2-NE2 3Å; H473-H477 VanDerWaalsContact NE2-NE2 3.14Å; H473-H477 PolarHBondContact O-N 3.3Å; E474-H477 PolarHBondContact O-N 2.86Å; E474-H477 VanDerWaalsContact O-N 3.16Å; E474-H477 IonicContact OE2-CD2 3.79Å; H477-M479 VanDerWaalsContact C-N 3.34Å; H477-M479 PolarHBondContact O-N 3.4Å; H477-H480 WeakPolarHBondContact O-CB 3.36Å; H477-H480 PolarHBondContact O-N 3.21Å; H477-H480 VanDerWaalsContact O-N 3.16Å; H477-Q481 WeakPolarHBondContact O-CG 3.41Å; H477-Q481 PolarHBondContact O-N 2.94Å; H477-V501 PolarHBondContact CE1-O 3.37Å; H477-E502 IonicContact CE1-OE2 2.79Å; H477-E502 PolarHBondContact CE1-OE2 3.03Å; H477-E502 IonicContact NE2-OE1 3.73Å; H477-E502 IonicContact NE2-OE2 3.86Å; H477-E502 PolarHBondContact NE2-OE2 2.88Å; H477-S505 PolarHBondContact CD2-OG 3.09Å; H477-S505 PolarHBondContact CE1-OG 2.87Å; H477-S505 PolarHBondContact N-OG 3.36Å; H477-S505 PolarHBondContact ND1-OG 2.8Å; H477-S505 VanDerWaalsContact ND1-OG 3.14Å; H477-S505 PolarHBondContact NE2-OG 3.33Å; H477-S505 VanDerWaalsContact NE2-OG 3.13Å
478L98.1Very high97.1Very high0 Ų014.7 Ų14.70%07%0.073CC..Hα-helixtrans-61.5-43.3178.6-164.4120.6000111.5F392 V408 A445 M447 E474 F475 G476 Q481 I482F392-L478 HydrophobicContact CB-CD1 3.81Å; F392-L478 HydrophobicContact CB-CD2 3.31Å; F392-L478 HydrophobicContact CB-CG 3.85Å; F392-L478 HydrophobicContact CD1-CD2 3.51Å; F392-L478 HydrophobicContact CD2-CD2 3.76Å; F392-L478 HydrophobicContact CE1-CD2 4.2Å; F392-L478 HydrophobicContact CE2-CD2 4.42Å; F392-L478 HydrophobicContact CG-CD1 4.39Å; F392-L478 HydrophobicContact CG-CD2 3.26Å; F392-L478 HydrophobicContact CG-CG 4.3Å; V408-L478 HydrophobicContact CG1-CB 4.47Å; V408-L478 HydrophobicContact CG2-CB 4.04Å; V408-L478 HydrophobicContact CG2-CD1 4.35Å; A445-L478 HydrophobicContact CB-CD1 4.43Å; A445-L478 HydrophobicContact CB-CG 4.48Å; M447-L478 HydrophobicContact CB-CD1 3.54Å; E474-L478 PolarHBondContact O-N 2.78Å; F475-L478 HydrophobicContact CD2-CD2 4.32Å; F475-L478 HydrophobicContact CE2-CD2 3.97Å; F475-L478 HydrophobicContact CZ-CD2 4.13Å; F475-L478 WeakPolarHBondContact O-CB 3.28Å; F475-L478 PolarHBondContact O-N 3.29Å; G476-L478 VanDerWaalsContact C-N 3.28Å; G476-L478 PolarHBondContact O-N 3.04Å; L478-Q481 WeakPolarHBondContact O-CB 3.49Å; L478-Q481 PolarHBondContact O-N 2.69Å; L478-I482 VanDerWaalsContact O-CG1 3.32Å; L478-I482 WeakPolarHBondContact O-CG1 3.34Å; L478-I482 PolarHBondContact O-N 2.88Å; L478-I482 VanDerWaalsContact O-N 3.12Å
479M98.4Very high97.2Very high0 Ų014.8 Ų14.80%07%0.074CC..Hα-helixtrans-69.3-32.6174.6-70.4-61.2100.900112.8Y354 L358 L360 F362 F392 F475 G476 H477 I482 C483 L648Y354-M479 HydrophobicContact CD1-CB 4.47Å; Y354-M479 HydrophobicContact CD1-CG 3.63Å; Y354-M479 HydrophobicContact CE1-CG 4Å; Y354-M479 HydrophobicContact CG-CG 4.28Å; L358-M479 HydrophobicContact CD1-CB 3.72Å; L358-M479 HydrophobicContact CD1-CG 3.65Å; L358-M479 HydrophobicContact CD1-SD 3.89Å; L360-M479 HydrophobicContact CD1-SD 3.71Å; F362-M479 HydrophobicContact CE1-CE 4.22Å; F362-M479 HydrophobicContact CE1-SD 4.07Å; F362-M479 HydrophobicContact CZ-CE 3.98Å; F362-M479 HydrophobicContact CZ-SD 3.64Å; F392-M479 HydrophobicContact CD1-CE 4.16Å; F392-M479 HydrophobicContact CE1-CE 4.25Å; F475-M479 HydrophobicContact CD1-CE 4.42Å; F475-M479 HydrophobicContact CD1-CG 3.86Å; F475-M479 HydrophobicContact CE1-CE 3.67Å; F475-M479 HydrophobicContact CE1-CG 3.77Å; F475-M479 HydrophobicContact CE1-SD 3.98Å; F475-M479 HydrophobicContact CZ-CE 3.9Å; F475-M479 WeakPolarHBondContact O-CG 3.37Å; F475-M479 PolarHBondContact O-N 3.16Å; G476-M479 PolarHBondContact O-N 2.76Å; H477-M479 VanDerWaalsContact C-N 3.34Å; H477-M479 PolarHBondContact O-N 3.4Å; M479-I482 PolarHBondContact O-N 3.47Å; M479-C483 WeakPolarHBondContact O-CB 3.5Å; M479-C483 PolarHBondContact O-N 3.39Å; M479-C483 PolarHBondContact O-SG 3.15Å; M479-C483 VanDerWaalsContact O-SG 3.32Å; M479-L648 HydrophobicContact CB-CD1 4.4Å
480H98.6Very high97.2Very high0 Ų015 Ų150%07%0.074CC..Hα-helixtrans-63.7-43.5173.5-162.9176.4000111.5G476 H477 S484 T494 L648G476-H480 PolarHBondContact O-N 3.4Å; H477-H480 WeakPolarHBondContact O-CB 3.36Å; H477-H480 PolarHBondContact O-N 3.21Å; H477-H480 VanDerWaalsContact O-N 3.16Å; H480-S484 WeakPolarHBondContact O-CB 3.09Å; H480-S484 PolarHBondContact O-N 3.39Å; H480-T494 HydrophobicContact CB-CG2 3.98Å; H480-L648 HydrophobicContact CB-CD2 3.89Å
481Q98.4Very high97.3Very high22 Ų2212.7 Ų12.710%0.1036%0.06CC..Hα-helixtrans-56-53.6172.5-68-71.45.700111.4V408 A445 H477 L478 S484 T494V408-Q481 HydrophobicContact CG1-CG 4.04Å; A445-Q481 HydrophobicContact CB-CB 3.9Å; A445-Q481 HydrophobicContact CB-CG 4.07Å; H477-Q481 WeakPolarHBondContact O-CG 3.41Å; H477-Q481 PolarHBondContact O-N 2.94Å; L478-Q481 WeakPolarHBondContact O-CB 3.49Å; L478-Q481 PolarHBondContact O-N 2.69Å; Q481-S484 PolarHBondContact O-OG 2.86Å; Q481-T494 HydrophobicContact CG-CG2 4.12Å; Q481-T494 PolarHBondContact NE2-OG1 3.48Å
482I98.3Very high97.3Very high4 Ų413.1 Ų13.12%0.0216%0.063CC..Hα-helixtrans-74.7-37.5-171.4-59-60.7000113.5V380 L389 Y391 A443 L478 M479 S484V380-I482 HydrophobicContact CB-CG2 3.81Å; V380-I482 HydrophobicContact CG1-CG2 3.77Å; V380-I482 HydrophobicContact CG2-CG2 4.09Å; L389-I482 HydrophobicContact CB-CG2 4.09Å; Y391-I482 WeakPolarHBondContact O-CD1 3.33Å; A443-I482 HydrophobicContact CB-CD1 3.79Å; A443-I482 WeakPolarHBondContact O-CD1 3.42Å; L478-I482 VanDerWaalsContact O-CG1 3.32Å; L478-I482 WeakPolarHBondContact O-CG1 3.34Å; L478-I482 PolarHBondContact O-N 2.88Å; L478-I482 VanDerWaalsContact O-N 3.12Å; M479-I482 PolarHBondContact O-N 3.47Å; I482-S484 VanDerWaalsContact C-N 3.34Å
483C98.3Very high97.4Very high7 Ų713 Ų135%0.0476%0.063CC..Hα-helixtrans-80.9-15.9-176.5-66.70000113.4M479 R644 L648 R649M479-C483 WeakPolarHBondContact O-CB 3.5Å; M479-C483 PolarHBondContact O-N 3.39Å; M479-C483 PolarHBondContact O-SG 3.15Å; M479-C483 VanDerWaalsContact O-SG 3.32Å; C483-R644 HydrophobicContact CB-CG 4.1Å; C483-L648 HydrophobicContact CB-CB 3.8Å; C483-L648 HydrophobicContact CB-CD1 3.98Å; C483-R649 WeakPolarHBondContact O-CA 3.33Å
484S97.9Very high97.4Very high6 Ų613.5 Ų13.54%0.0427%0.068CC..  trans-59.3142.6174.673.40000111.7H480 Q481 I482 G493 L648H480-S484 WeakPolarHBondContact O-CB 3.09Å; H480-S484 PolarHBondContact O-N 3.39Å; Q481-S484 PolarHBondContact O-OG 2.86Å; I482-S484 VanDerWaalsContact C-N 3.34Å; S484-G493 VanDerWaalsContact CB-N 3.31Å; S484-G493 VanDerWaalsContact OG-CA 3.24Å; S484-G493 WeakPolarHBondContact OG-CA 3.34Å; S484-G493 PolarHBondContact OG-N 2.79Å; S484-L648 WeakPolarHBondContact CA-O 3.4Å
485H95.5Very high97.4Very high81 Ų8114.9 Ų14.938%0.3758%0.082SC..  trans-140.969.3-176.3-165.998.9000110.2R440 R649R440-H485 VanDerWaalsContact CZ-CD2 3.48Å; R440-H485 VanDerWaalsContact CZ-NE2 3.32Å; R440-H485 PolarHBondContact NE-CE1 3.36Å; R440-H485 PolarHBondContact NE-ND1 2.96Å; R440-H485 PolarHBondContact NE-NE2 3Å; R440-H485 VanDerWaalsContact NE-NE2 3.2Å; R440-H485 PolarHBondContact NH2-CD2 3.28Å; R440-H485 PolarHBondContact NH2-NE2 2.83Å; H485-R649 HydrophobicContact CB-CG 3.69Å; H485-R649 PolarHBondContact N-O 2.66Å
486T96.4Very high97.3Very high0 Ų015.8 Ų15.80%09%0.087CC..  trans-95.2164.2-177.8600000112E118 G414 C415 R440 T488 F491 S492 P650E118-T486 WeakPolarHBondContact OE1-CB 3.32Å; G414-T486 PolarHBondContact O-OG1 2.82Å; C415-T486 WeakPolarHBondContact CA-O 3.46Å; R440-T486 PolarHBondContact NH1-O 3.11Å; R440-T486 PolarHBondContact NH2-O 3.22Å; T486-T488 PolarHBondContact OG1-O 2.89Å; T486-F491 HydrophobicContact CG2-CB 4.11Å; T486-F491 WeakPolarHBondContact CG2-O 3.23Å; T486-S492 WeakPolarHBondContact OG1-CA 3.25Å; T486-S492 WeakPolarHBondContact OG1-CB 3.27Å; T486-P650 VanDerWaalsContact CG2-O 3.28Å; T486-P650 WeakPolarHBondContact CG2-O 3.3Å
487E94.1Very high97.3Very high36 Ų3616 Ų1617%0.1689%0.089CC..SBendtrans-79.2-35.9168.5-63.4-168.6125.300111S116 E118 Y119 R416S116-E487 VanDerWaalsContact CB-OE2 3.22Å; S116-E487 WeakPolarHBondContact CB-OE2 3.1Å; S116-E487 PolarHBondContact OG-OE2 3.4Å; E118-E487 PolarHBondContact OE1-N 2.9Å; E118-E487 PolarHBondContact OE2-N 2.76Å; Y119-E487 WeakPolarHBondContact CD2-OE2 3.1Å; Y119-E487 HydrophobicContact CE2-CB 4.31Å; R416-E487 VanDerWaalsContact CB-O 3.3Å; R416-E487 WeakPolarHBondContact CB-O 3.43Å; R416-E487 IonicContact CZ-OE1 2.69Å; R416-E487 PolarHBondContact N-O 2.77Å; R416-E487 IonicContact NH1-OE1 3.36Å; R416-E487 PolarHBondContact NH1-OE1 3.37Å; R416-E487 IonicContact NH2-OE1 3.19Å
488T95.9Very high97Very high0 Ų016.6 Ų16.60%09%0.093CC..SBendtrans-110.2145.7-174.368.10000111.7E118 Y119 Y122 T486 F490 F491 S492E118-T488 WeakPolarHBondContact OE1-CB 3.15Å; E118-T488 PolarHBondContact OE1-N 3.21Å; E118-T488 PolarHBondContact OE1-OG1 3.39Å; Y119-T488 HydrophobicContact CD1-CG2 3.96Å; Y119-T488 HydrophobicContact CE1-CG2 3.62Å; Y122-T488 HydrophobicContact CD2-CG2 4.03Å; Y122-T488 HydrophobicContact CG-CG2 4.18Å; T486-T488 PolarHBondContact OG1-O 2.89Å; T488-F490 PolarHBondContact O-N 3.21Å; T488-F491 PolarHBondContact O-N 3.34Å; T488-F491 VanDerWaalsContact OG1-CD2 3.25Å; T488-F491 WeakPolarHBondContact OG1-CD2 3.35Å; T488-S492 PolarHBondContact O-N 3.3Å
489A96.8Very high96.9Very high2 Ų216.6 Ų16.62%0.0179%0.093CC..G310 helixtrans-63-31.1171.600000111.8E54 A55 P413 C415 F491 S492E54-A489 HydrophobicContact CB-CB 4.38Å; A55-A489 HydrophobicContact CB-CB 4.03Å; P413-A489 HydrophobicContact CB-CB 4Å; P413-A489 HydrophobicContact CG-CB 3.82Å; C415-A489 HydrophobicContact CB-CB 4.48Å; A489-F491 PolarHBondContact O-N 3.4Å; A489-S492 WeakPolarHBondContact O-CB 3.13Å; A489-S492 PolarHBondContact O-N 2.96Å; A489-S492 PolarHBondContact O-OG 2.66Å
490F96.7Very high96.9Very high44 Ų4416.6 Ų16.619%0.1939%0.093CC..G310 helixtrans-58-31-179.5-171.6-82.2000114Y122 R125 L129 T488 A495Y122-F490 HydrophobicContact CD2-CB 3.8Å; Y122-F490 HydrophobicContact CD2-CD1 4.22Å; Y122-F490 AromaticContact CD2-CG 3.97Å; Y122-F490 HydrophobicContact CD2-CG 3.97Å; Y122-F490 HydrophobicContact CE2-CB 3.56Å; Y122-F490 HydrophobicContact CE2-CD1 4.49Å; Y122-F490 HydrophobicContact CE2-CD2 4.17Å; Y122-F490 AromaticContact CE2-CG 3.8Å; Y122-F490 HydrophobicContact CE2-CG 3.8Å; R125-F490 HydrophobicContact CB-CE1 4.2Å; R125-F490 HydrophobicContact CG-CE1 3.48Å; R125-F490 VanDerWaalsContact CG-CE1 3.48Å; R125-F490 HydrophobicContact CG-CZ 3.63Å; L129-F490 HydrophobicContact CD1-CE2 3.84Å; L129-F490 HydrophobicContact CD1-CZ 3.61Å; T488-F490 PolarHBondContact O-N 3.21Å; F490-A495 WeakPolarHBondContact O-CB 3.44Å
491F98.1Very high96.7Very high3 Ų317.6 Ų17.61%0.01310%0.099CC..G310 helixtrans-107.24.6176.7-64.2-51000113.5E118 R121 Y122 R125 T486 T488 A489 G652E118-F491 HydrophobicContact CG-CD2 3.77Å; E118-F491 HydrophobicContact CG-CE2 4.25Å; R121-F491 HydrophobicContact CB-CE2 4.24Å; R121-F491 HydrophobicContact CB-CZ 4.32Å; R121-F491 HydrophobicContact CG-CE1 4.41Å; R121-F491 HydrophobicContact CG-CE2 4.03Å; R121-F491 HydrophobicContact CG-CZ 3.67Å; Y122-F491 HydrophobicContact CD2-CE2 4.37Å; R125-F491 HydrophobicContact CB-CZ 4.2Å; T486-F491 HydrophobicContact CG2-CB 4.11Å; T486-F491 WeakPolarHBondContact CG2-O 3.23Å; T488-F491 PolarHBondContact O-N 3.34Å; T488-F491 VanDerWaalsContact OG1-CD2 3.25Å; T488-F491 WeakPolarHBondContact OG1-CD2 3.35Å; A489-F491 PolarHBondContact O-N 3.4Å; F491-G652 WeakPolarHBondContact CD1-O 3.22Å; F491-G652 PolarHBondContact O-N 3.15Å
492S97.9Very high96.5Very high10 Ų1017.6 Ų17.67%0.0710%0.099CC..SBendtrans-72.1149.2-173.870.80000112.8P413 T486 T488 A489 T494 A495P413-S492 WeakPolarHBondContact CB-OG 3.21Å; T486-S492 WeakPolarHBondContact OG1-CA 3.25Å; T486-S492 WeakPolarHBondContact OG1-CB 3.27Å; T488-S492 PolarHBondContact O-N 3.3Å; A489-S492 WeakPolarHBondContact O-CB 3.13Å; A489-S492 PolarHBondContact O-N 2.96Å; A489-S492 PolarHBondContact O-OG 2.66Å; S492-T494 PolarHBondContact O-N 2.9Å; S492-A495 WeakPolarHBondContact O-CB 3.38Å; S492-A495 PolarHBondContact O-N 2.88Å
493G97.6Very high96.4Very high0 Ų017.4 Ų17.40%010%0.098CC..THydrogen-bonded Turntrans58.6-128.3173.900000113.8S484 A495S484-G493 VanDerWaalsContact CB-N 3.31Å; S484-G493 VanDerWaalsContact OG-CA 3.24Å; S484-G493 WeakPolarHBondContact OG-CA 3.34Å; S484-G493 PolarHBondContact OG-N 2.79Å; G493-A495 PolarHBondContact O-N 2.72Å
494T97.3Very high96.3Very high36 Ų3617 Ų1722%0.22110%0.096CC..THydrogen-bonded Turntrans-82.415.1-17859.70000113.8H480 Q481 S492 V496 V501H480-T494 HydrophobicContact CB-CG2 3.98Å; Q481-T494 HydrophobicContact CG-CG2 4.12Å; Q481-T494 PolarHBondContact NE2-OG1 3.48Å; S492-T494 PolarHBondContact O-N 2.9Å; T494-V496 PolarHBondContact O-N 3.06Å; T494-V501 HydrophobicContact CG2-CG2 4.46Å
495A96.8Very high96.1Very high46 Ų4616.8 Ų16.838%0.389%0.094SC..  trans-74.75117600000113F490 S492 G493 G652F490-A495 WeakPolarHBondContact O-CB 3.44Å; S492-A495 WeakPolarHBondContact O-CB 3.38Å; S492-A495 PolarHBondContact O-N 2.88Å; G493-A495 PolarHBondContact O-N 2.72Å; A495-G652 VanDerWaalsContact O-CA 3.27Å; A495-G652 WeakPolarHBondContact O-CA 3.48Å
496V97.5Very high96.1Very high20 Ų2013.7 Ų13.712%0.1218%0.079CC..SBendtrans-101.6-179.6176.3-63.70000110.6T494 F500 V501 G651 M659T494-V496 PolarHBondContact O-N 3.06Å; V496-F500 HydrophobicContact CB-CD1 4.02Å; V496-F500 HydrophobicContact CG1-CD1 4.3Å; V496-F500 HydrophobicContact CG2-CD1 3.92Å; V496-V501 HydrophobicContact CG2-CB 3.74Å; V496-V501 HydrophobicContact CG2-CG2 3.94Å; V496-G651 VanDerWaalsContact CG1-C 3.49Å; V496-G651 WeakPolarHBondContact CG1-O 3.5Å; V496-M659 HydrophobicContact CG1-CE 4.18Å
497E96.8Very high96.1Very high6 Ų613.7 Ų13.73%0.0288%0.079CC..  trans-59.4138.9172.1-60.489.5157.700111.4L263 M265 D499 F500 V501 D655 A656L263-E497 WeakPolarHBondContact O-CG 3.45Å; M265-E497 HydrophobicContact CG-CB 4.44Å; E497-D499 VanDerWaalsContact CB-OD1 3.3Å; E497-D499 WeakPolarHBondContact CB-OD1 3.37Å; E497-D499 PolarHBondContact O-N 2.76Å; E497-F500 HydrophobicContact CB-CB 4.34Å; E497-F500 WeakPolarHBondContact O-CA 3.01Å; E497-F500 PolarHBondContact O-N 3.48Å; E497-V501 PolarHBondContact O-N 3.47Å; E497-D655 WeakPolarHBondContact OE1-CA 3.27Å; E497-A656 PolarHBondContact OE1-N 3.34Å; E497-A656 VanDerWaalsContact OE2-CB 3.31Å; E497-A656 WeakPolarHBondContact OE2-CB 3.38Å; E497-A656 PolarHBondContact OE2-N 2.75Å
498T91.7Very high96.1Very high25 Ų2512 Ų1215%0.1537%0.072CC..THydrogen-bonded Turntrans-61.9-28.1-177.5-48.30000113R264 F500 V501 Y604R264-T498 VanDerWaalsContact CZ-OG1 3.26Å; R264-T498 VanDerWaalsContact NE-CB 3.29Å; R264-T498 PolarHBondContact NE-OG1 3.44Å; R264-T498 PolarHBondContact NH2-OG1 3.4Å; T498-F500 PolarHBondContact O-N 3.45Å; T498-V501 WeakPolarHBondContact O-CG1 3.47Å; T498-Y604 HydrophobicContact CG2-CE1 4.13Å
499D96.4Very high96.1Very high0 Ų013.2 Ų13.20%08%0.078CC..THydrogen-bonded Turntrans-85.310.5173.761.2-24.8000113.3R264 M265 A266 E497 Y609 W613 S614R264-D499 WeakPolarHBondContact CA-OD1 3.5Å; R264-D499 WeakPolarHBondContact CB-OD1 3.33Å; R264-D499 WeakPolarHBondContact CB-OD2 3.16Å; R264-D499 WeakPolarHBondContact CD-OD1 3.45Å; M265-D499 VanDerWaalsContact CA-OD2 3.28Å; M265-D499 WeakPolarHBondContact CA-OD2 3.44Å; M265-D499 WeakPolarHBondContact CB-OD2 3.22Å; M265-D499 PolarHBondContact N-OD1 3.17Å; M265-D499 PolarHBondContact N-OD2 3.32Å; A266-D499 PolarHBondContact N-OD2 3.25Å; E497-D499 VanDerWaalsContact CB-OD1 3.3Å; E497-D499 WeakPolarHBondContact CB-OD1 3.37Å; E497-D499 PolarHBondContact O-N 2.76Å; D499-Y609 HydrophobicContact CB-CE2 4.07Å; D499-Y609 WeakPolarHBondContact CB-OH 3.26Å; D499-Y609 PolarHBondContact OD2-OH 3.04Å; D499-W613 HydrophobicContact CB-CG 4.33Å; D499-S614 PolarHBondContact O-OG 3.32Å; D499-S614 VanDerWaalsContact O-OG 3.13Å
500F97.6Very high96Very high0 Ų013.3 Ų13.30%08%0.077CC..THydrogen-bonded Turntrans-123.6-24.3169.6-175.1-111.9000113.3M265 V496 E497 T498 E502 C503 P504 I647 A656 M659 L660M265-F500 HydrophobicContact CG-CB 4.43Å; M265-F500 HydrophobicContact SD-CB 3.73Å; M265-F500 HydrophobicContact SD-CD2 3.84Å; M265-F500 HydrophobicContact SD-CG 4.16Å; V496-F500 HydrophobicContact CB-CD1 4.02Å; V496-F500 HydrophobicContact CG1-CD1 4.3Å; V496-F500 HydrophobicContact CG2-CD1 3.92Å; E497-F500 HydrophobicContact CB-CB 4.34Å; E497-F500 WeakPolarHBondContact O-CA 3.01Å; E497-F500 PolarHBondContact O-N 3.48Å; T498-F500 PolarHBondContact O-N 3.45Å; F500-E502 PolarHBondContact O-N 3.28Å; F500-C503 HydrophobicContact CD2-CB 3.7Å; F500-C503 HydrophobicContact CE2-CB 3.66Å; F500-C503 HydrophobicContact CG-CB 4.43Å; F500-C503 HydrophobicContact CZ-CB 4.37Å; F500-C503 VanDerWaalsContact O-CB 3.25Å; F500-C503 WeakPolarHBondContact O-CB 3.22Å; F500-C503 PolarHBondContact O-N 2.91Å; F500-P504 HydrophobicContact CE1-CG 4.47Å; F500-P504 VanDerWaalsContact O-CD 3.27Å; F500-P504 WeakPolarHBondContact O-CD 3.28Å; F500-I647 HydrophobicContact CE1-CG2 4.33Å; F500-I647 HydrophobicContact CZ-CD1 4.37Å; F500-I647 HydrophobicContact CZ-CG2 3.92Å; F500-A656 HydrophobicContact CB-CB 3.49Å; F500-A656 VanDerWaalsContact CB-CB 3.49Å; F500-A656 HydrophobicContact CD1-CB 3.58Å; F500-A656 HydrophobicContact CD2-CB 3.58Å; F500-A656 HydrophobicContact CE1-CB 4.18Å; F500-A656 HydrophobicContact CE2-CB 4.18Å; F500-A656 HydrophobicContact CG-CB 3.23Å; F500-A656 HydrophobicContact CZ-CB 4.44Å; F500-M659 HydrophobicContact CD1-CE 4.02Å; F500-M659 HydrophobicContact CE1-CE 3.59Å; F500-M659 HydrophobicContact CZ-CE 4.32Å; F500-L660 HydrophobicContact CD2-CD1 4.34Å; F500-L660 HydrophobicContact CD2-CG 4.5Å; F500-L660 HydrophobicContact CE2-CD1 4.08Å; F500-L660 HydrophobicContact CE2-CD2 3.9Å; F500-L660 HydrophobicContact CE2-CG 3.78Å
501V95.5Very high96Very high21 Ų2111.4 Ų11.413%0.1277%0.069CC..THydrogen-bonded Turntrans-55.6-32.8-171.9740000113.1H477 T494 V496 E497 T498H477-V501 PolarHBondContact CE1-O 3.37Å; T494-V501 HydrophobicContact CG2-CG2 4.46Å; V496-V501 HydrophobicContact CG2-CB 3.74Å; V496-V501 HydrophobicContact CG2-CG2 3.94Å; E497-V501 PolarHBondContact O-N 3.47Å; T498-V501 WeakPolarHBondContact O-CG1 3.47Å
502E93.7Very high95.8Very high22 Ų2211.2 Ų11.210%0.1037%0.068CC..Hα-helixtrans-82.5-16.1178.1-55.9-56.515700113.6H473 H477 F500 S505 Q506 Y611H473-E502 IonicContact CE1-OE2 3.15Å; H473-E502 PolarHBondContact CE1-OE2 3.4Å; H473-E502 IonicContact NE2-OE2 2.69Å; H473-E502 PolarHBondContact NE2-OE2 3.04Å; H473-E502 VanDerWaalsContact NE2-OE2 3.16Å; H477-E502 IonicContact CE1-OE2 2.79Å; H477-E502 PolarHBondContact CE1-OE2 3.03Å; H477-E502 IonicContact NE2-OE1 3.73Å; H477-E502 IonicContact NE2-OE2 3.86Å; H477-E502 PolarHBondContact NE2-OE2 2.88Å; F500-E502 PolarHBondContact O-N 3.28Å; E502-S505 PolarHBondContact O-N 3.04Å; E502-Q506 HydrophobicContact CB-CG 4.29Å; E502-Q506 WeakPolarHBondContact O-CB 3.43Å; E502-Q506 WeakPolarHBondContact O-CG 3.49Å; E502-Q506 PolarHBondContact O-N 3.07Å; E502-Y611 HydrophobicContact CG-CD1 4.2Å; E502-Y611 HydrophobicContact CG-CE1 4.28Å
503C96.1Very high95.7Very high0 Ų012.4 Ų12.40%07%0.071CC..Hα-helixtrans-55.8-51.8-178.8-800000112.2F500 S505 M507 S614 S618 M621F500-C503 HydrophobicContact CD2-CB 3.7Å; F500-C503 HydrophobicContact CE2-CB 3.66Å; F500-C503 HydrophobicContact CG-CB 4.43Å; F500-C503 HydrophobicContact CZ-CB 4.37Å; F500-C503 VanDerWaalsContact O-CB 3.25Å; F500-C503 WeakPolarHBondContact O-CB 3.22Å; F500-C503 PolarHBondContact O-N 2.91Å; C503-S505 PolarHBondContact O-N 3.37Å; C503-M507 VanDerWaalsContact O-CB 3.26Å; C503-M507 WeakPolarHBondContact O-CB 3.25Å; C503-M507 PolarHBondContact O-N 3.45Å; C503-S614 WeakPolarHBondContact SG-CA 3.11Å; C503-S614 PolarHBondContact SG-O 3.07Å; C503-S618 VanDerWaalsContact O-CB 3.24Å; C503-S618 WeakPolarHBondContact O-CB 3.42Å; C503-M621 HydrophobicContact CB-SD 4.3Å
504P95.8Very high95.6Very high0 Ų013.3 Ų13.30%08%0.076CC..Hα-helixtrans-53.2-50175.3-31.139.3000113.3F500 M507 L508 Y643 I647 L648F500-P504 HydrophobicContact CE1-CG 4.47Å; F500-P504 VanDerWaalsContact O-CD 3.27Å; F500-P504 WeakPolarHBondContact O-CD 3.28Å; P504-M507 PolarHBondContact O-N 3Å; P504-L508 VanDerWaalsContact O-CD1 3.31Å; P504-L508 WeakPolarHBondContact O-CD1 3.27Å; P504-L508 WeakPolarHBondContact O-CG 3.21Å; P504-L508 PolarHBondContact O-N 3.22Å; P504-Y643 WeakPolarHBondContact CA-OH 3.48Å; P504-Y643 VanDerWaalsContact CB-OH 3.28Å; P504-Y643 WeakPolarHBondContact CB-OH 3.49Å; P504-Y643 PolarHBondContact O-OH 2.87Å; P504-I647 HydrophobicContact CG-CG2 3.96Å; P504-L648 HydrophobicContact CB-CD2 4.19Å
505S94.8Very high95.4Very high0 Ų014.2 Ų14.20%08%0.082CC..Hα-helixtrans-70.3-46.1-174.2-58.90000112.2H473 H477 E502 C503 M507 L508 E509H473-S505 VanDerWaalsContact O-CB 3.3Å; H473-S505 WeakPolarHBondContact O-CB 3.34Å; H473-S505 PolarHBondContact O-OG 2.75Å; H477-S505 PolarHBondContact CD2-OG 3.09Å; H477-S505 PolarHBondContact CE1-OG 2.87Å; H477-S505 PolarHBondContact N-OG 3.36Å; H477-S505 PolarHBondContact ND1-OG 2.8Å; H477-S505 VanDerWaalsContact ND1-OG 3.14Å; H477-S505 PolarHBondContact NE2-OG 3.33Å; H477-S505 VanDerWaalsContact NE2-OG 3.13Å; E502-S505 PolarHBondContact O-N 3.04Å; C503-S505 PolarHBondContact O-N 3.37Å; S505-M507 VanDerWaalsContact C-N 3.29Å; S505-M507 PolarHBondContact O-N 2.97Å; S505-L508 WeakPolarHBondContact O-CB 3.44Å; S505-L508 PolarHBondContact O-N 2.95Å; S505-L508 VanDerWaalsContact O-N 3.08Å; S505-E509 PolarHBondContact O-N 2.82Å
506Q95.1Very high95.2Very high16 Ų1616.2 Ų16.28%0.0759%0.086CC..Hα-helixtrans-66.5-29.1176-69.3179.6-46.800112.8E502 L508 E509 N510 Y611 E615 S618E502-Q506 HydrophobicContact CB-CG 4.29Å; E502-Q506 WeakPolarHBondContact O-CB 3.43Å; E502-Q506 WeakPolarHBondContact O-CG 3.49Å; E502-Q506 PolarHBondContact O-N 3.07Å; Q506-L508 VanDerWaalsContact C-N 3.26Å; Q506-L508 PolarHBondContact O-N 3.3Å; Q506-E509 WeakPolarHBondContact O-CB 3.32Å; Q506-E509 PolarHBondContact O-N 3.31Å; Q506-N510 PolarHBondContact O-ND2 2.81Å; Q506-Y611 PolarHBondContact NE2-O 3.19Å; Q506-Y611 PolarHBondContact OE1-O 3.28Å; Q506-E615 VanDerWaalsContact OE1-CA 3.29Å; Q506-S618 WeakPolarHBondContact CB-OG 3.46Å
507M96.5Very high95.1Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-62.8-41.2173-177.3-156.765.700109.6C503 P504 S505 N510 M621 F622 F626 Y643C503-M507 VanDerWaalsContact O-CB 3.26Å; C503-M507 WeakPolarHBondContact O-CB 3.25Å; C503-M507 PolarHBondContact O-N 3.45Å; P504-M507 PolarHBondContact O-N 3Å; S505-M507 VanDerWaalsContact C-N 3.29Å; S505-M507 PolarHBondContact O-N 2.97Å; M507-N510 WeakPolarHBondContact O-CB 3.34Å; M507-N510 PolarHBondContact O-N 3.14Å; M507-N510 PolarHBondContact O-ND2 2.83Å; M507-M621 HydrophobicContact CG-CB 4.03Å; M507-M621 HydrophobicContact SD-CB 3.86Å; M507-M621 HydrophobicContact SD-CE 3.69Å; M507-F622 HydrophobicContact CG-CB 3.95Å; M507-F626 HydrophobicContact CE-CD2 4.38Å; M507-F626 HydrophobicContact CE-CE2 3.71Å; M507-F626 HydrophobicContact CE-CZ 4.39Å; M507-F626 HydrophobicContact SD-CD2 3.85Å; M507-F626 HydrophobicContact SD-CE2 3.53Å; M507-F626 VanDerWaalsContact SD-CE2 3.53Å; M507-Y643 HydrophobicContact CE-CD1 4.16Å; M507-Y643 HydrophobicContact CE-CD2 3.72Å; M507-Y643 HydrophobicContact CE-CE1 3.83Å; M507-Y643 HydrophobicContact CE-CE2 3.38Å; M507-Y643 HydrophobicContact CE-CG 4.09Å; M507-Y643 VanDerWaalsContact CE-CZ 3.41Å; M507-Y643 HydrophobicContact SD-CD2 4.07Å; M507-Y643 HydrophobicContact SD-CE2 3.99Å
508L93.5Very high95Very high1 Ų115.1 Ų15.11%0.0058%0.08CC..Hα-helixtrans-74-24.6-176.6-69.8158.4000112.9Y354 L357 F472 P504 S505 Q506 N510 W511 Y643Y354-L508 HydrophobicContact CE1-CD1 3.71Å; Y354-L508 HydrophobicContact CE1-CD2 3.91Å; Y354-L508 HydrophobicContact CE1-CG 4.35Å; Y354-L508 WeakPolarHBondContact OH-CB 3.34Å; Y354-L508 WeakPolarHBondContact OH-CD1 3.41Å; L357-L508 HydrophobicContact CD2-CD2 3.93Å; F472-L508 HydrophobicContact CD1-CB 4.4Å; F472-L508 WeakPolarHBondContact CD1-O 3.42Å; P504-L508 VanDerWaalsContact O-CD1 3.31Å; P504-L508 WeakPolarHBondContact O-CD1 3.27Å; P504-L508 WeakPolarHBondContact O-CG 3.21Å; P504-L508 PolarHBondContact O-N 3.22Å; S505-L508 WeakPolarHBondContact O-CB 3.44Å; S505-L508 PolarHBondContact O-N 2.95Å; S505-L508 VanDerWaalsContact O-N 3.08Å; Q506-L508 VanDerWaalsContact C-N 3.26Å; Q506-L508 PolarHBondContact O-N 3.3Å; L508-N510 PolarHBondContact O-N 3.38Å; L508-N510 VanDerWaalsContact O-N 3.13Å; L508-W511 HydrophobicContact CD2-CE3 4.39Å; L508-W511 HydrophobicContact CD2-CH2 4.4Å; L508-W511 HydrophobicContact CD2-CZ3 4.12Å; L508-W511 PolarHBondContact O-N 2.86Å; L508-W511 VanDerWaalsContact O-N 3.14Å; L508-Y643 HydrophobicContact CD1-CE1 4.34Å; L508-Y643 WeakPolarHBondContact CD1-OH 3.18Å
509E95.8Very high95.2Very high26 Ų2619.9 Ų19.912%0.12110%0.098CC..Hα-helixtrans-54.7-29170-67.2169.2-160.400112.4E469 H473 S505 Q506 W511 V512E469-E509 HydrophobicContact CG-CB 4.1Å; E469-E509 HydrophobicContact CG-CG 3.85Å; H473-E509 HydrophobicContact CB-CG 4.11Å; H473-E509 IonicContact CE1-OE1 2.74Å; H473-E509 IonicContact CG-OE1 3.64Å; H473-E509 IonicContact ND1-OE1 3.62Å; H473-E509 PolarHBondContact ND1-OE1 3.32Å; S505-E509 PolarHBondContact O-N 2.82Å; Q506-E509 WeakPolarHBondContact O-CB 3.32Å; Q506-E509 PolarHBondContact O-N 3.31Å; E509-W511 PolarHBondContact O-N 2.85Å; E509-V512 WeakPolarHBondContact O-CG2 3.29Å; E509-V512 PolarHBondContact O-N 3.46Å; E509-V512 VanDerWaalsContact O-N 3.1Å
510N95.3Very high95.1Very high3 Ų321 Ų212%0.01611%0.107CC..G310 helixtrans-60.5-21.5179.7-68.6-77.9000113.9Q506 M507 L508 V512 W513 N514 R541 F622Q506-N510 PolarHBondContact O-ND2 2.81Å; M507-N510 WeakPolarHBondContact O-CB 3.34Å; M507-N510 PolarHBondContact O-N 3.14Å; M507-N510 PolarHBondContact O-ND2 2.83Å; L508-N510 PolarHBondContact O-N 3.38Å; L508-N510 VanDerWaalsContact O-N 3.13Å; N510-V512 VanDerWaalsContact C-N 3.33Å; N510-V512 PolarHBondContact O-N 3.49Å; N510-W513 CarbonylContact O-C 3.35Å; N510-W513 PolarHBondContact O-N 3.02Å; N510-N514 WeakPolarHBondContact O-CB 3.42Å; N510-N514 PolarHBondContact O-N 3.42Å; N510-R541 VanDerWaalsContact OD1-CZ 3.25Å; N510-R541 PolarHBondContact OD1-NH1 3Å; N510-R541 PolarHBondContact OD1-NH2 2.75Å; N510-F622 HydrophobicContact CB-CB 4.33Å; N510-F622 HydrophobicContact CB-CD1 3.62Å; N510-F622 HydrophobicContact CB-CD2 3.46Å; N510-F622 VanDerWaalsContact CB-CD2 3.46Å; N510-F622 HydrophobicContact CB-CE1 3.68Å; N510-F622 HydrophobicContact CB-CE2 3.51Å; N510-F622 HydrophobicContact CB-CG 3.51Å; N510-F622 HydrophobicContact CB-CZ 3.62Å
511W95.4Very high95Very high4 Ų421 Ų212%0.01511%0.107CC..G310 helixtrans-64.8-36.5176.2-94-110.8000112.6L357 F472 L508 E509 W513 N514 G517 L518 F622 F626 C634L357-W511 HydrophobicContact CD1-CH2 4.37Å; L357-W511 HydrophobicContact CD1-CZ2 3.72Å; L357-W511 HydrophobicContact CD2-CH2 3.94Å; L357-W511 HydrophobicContact CD2-CZ2 3.64Å; L357-W511 HydrophobicContact CG-CZ2 4.34Å; F472-W511 HydrophobicContact CD1-CB 4.23Å; F472-W511 HydrophobicContact CE1-CB 3.71Å; F472-W511 HydrophobicContact CE1-CG 4.09Å; F472-W511 HydrophobicContact CZ-CB 4.03Å; F472-W511 HydrophobicContact CZ-CG 4.5Å; L508-W511 HydrophobicContact CD2-CE3 4.39Å; L508-W511 HydrophobicContact CD2-CH2 4.4Å; L508-W511 HydrophobicContact CD2-CZ3 4.12Å; L508-W511 PolarHBondContact O-N 2.86Å; L508-W511 VanDerWaalsContact O-N 3.14Å; E509-W511 PolarHBondContact O-N 2.85Å; W511-W513 PolarHBondContact O-N 2.88Å; W511-N514 PolarHBondContact O-N 3.26Å; W511-G517 CarbonylContact O-C 3.58Å; W511-G517 WeakPolarHBondContact O-CA 3.15Å; W511-L518 PolarHBondContact O-N 2.97Å; W511-F622 HydrophobicContact CD2-CE2 4.44Å; W511-F622 HydrophobicContact CE3-CD2 4.06Å; W511-F622 AromaticContact CE3-CE2 3.7Å; W511-F622 HydrophobicContact CE3-CE2 3.7Å; W511-F622 HydrophobicContact CH2-CD2 4.34Å; W511-F622 HydrophobicContact CH2-CE2 4.22Å; W511-F622 AromaticContact CZ3-CD2 3.58Å; W511-F622 HydrophobicContact CZ3-CD2 3.58Å; W511-F622 AromaticContact CZ3-CE2 3.56Å; W511-F622 HydrophobicContact CZ3-CE2 3.56Å; W511-F626 HydrophobicContact CH2-CB 4.31Å; W511-F626 AromaticContact CH2-CD1 3.59Å; W511-F626 HydrophobicContact CH2-CD1 3.59Å; W511-F626 AromaticContact CH2-CD2 3.98Å; W511-F626 HydrophobicContact CH2-CD2 3.98Å; W511-F626 AromaticContact CH2-CE1 3.82Å; W511-F626 HydrophobicContact CH2-CE1 3.82Å; W511-F626 HydrophobicContact CH2-CE2 4.16Å; W511-F626 AromaticContact CH2-CG 3.68Å; W511-F626 HydrophobicContact CH2-CG 3.68Å; W511-F626 HydrophobicContact CH2-CZ 4.07Å; W511-F626 HydrophobicContact CZ2-CD1 4.03Å; W511-F626 HydrophobicContact CZ2-CE1 4.23Å; W511-F626 HydrophobicContact CZ2-CG 4.49Å; W511-F626 HydrophobicContact CZ3-CD2 4.5Å; W511-F626 HydrophobicContact CZ3-CG 4.43Å; W511-C634 HydrophobicContact CZ2-CB 4.33Å; W511-C634 WeakPolarHBondContact CZ2-O 3.27Å; W511-C634 PolarHBondContact NE1-O 2.73Å
512V95.7Very high95Very high0 Ų020.9 Ų20.90%011%0.105CC..G310 helixtrans-79.2-5.1179.8-52.60000112.3H465 V468 E469 F472 E509 N510 L518 L521H465-V512 PolarHBondContact NE2-O 2.78Å; V468-V512 HydrophobicContact CG1-CG1 3.85Å; E469-V512 HydrophobicContact CB-CG2 3.81Å; E469-V512 HydrophobicContact CG-CG2 4.02Å; F472-V512 HydrophobicContact CB-CG1 4.14Å; F472-V512 HydrophobicContact CD2-CG1 3.48Å; F472-V512 VanDerWaalsContact CD2-CG1 3.48Å; F472-V512 HydrophobicContact CE2-CG1 4.02Å; F472-V512 HydrophobicContact CG-CG1 3.85Å; E509-V512 WeakPolarHBondContact O-CG2 3.29Å; E509-V512 PolarHBondContact O-N 3.46Å; E509-V512 VanDerWaalsContact O-N 3.1Å; N510-V512 VanDerWaalsContact C-N 3.33Å; N510-V512 PolarHBondContact O-N 3.49Å; V512-L518 HydrophobicContact CB-CD2 4.19Å; V512-L518 VanDerWaalsContact O-CD1 3.31Å; V512-L518 WeakPolarHBondContact O-CD1 3.31Å; V512-L518 WeakPolarHBondContact O-CG 3.21Å; V512-L521 HydrophobicContact CG1-CD2 4.19Å
513W95.4Very high94.9Very high35 Ų3524.6 Ų24.613%0.13313%0.126CC..G310 helixtrans-112.811.8173.9-65.5109.1000113.1H465 E469 N510 W511 L537 I538 R541H465-W513 AromaticContact CE1-CD2 3.74Å; H465-W513 AromaticContact CE1-CE2 3.54Å; H465-W513 AromaticContact CE1-CE3 3.75Å; H465-W513 AromaticContact CE1-CH2 3.46Å; H465-W513 VanDerWaalsContact CE1-CH2 3.46Å; H465-W513 WeakPolarHBondContact CE1-CH2 3.37Å; H465-W513 AromaticContact CE1-CZ2 3.42Å; H465-W513 VanDerWaalsContact CE1-CZ2 3.42Å; H465-W513 WeakPolarHBondContact CE1-CZ2 3.5Å; H465-W513 AromaticContact CE1-CZ3 3.62Å; H465-W513 AromaticContact ND1-CH2 3.67Å; H465-W513 AromaticContact ND1-CZ2 3.8Å; E469-W513 PolarHBondContact OE1-NE1 2.91Å; N510-W513 CarbonylContact O-C 3.35Å; N510-W513 PolarHBondContact O-N 3.02Å; W511-W513 PolarHBondContact O-N 2.88Å; W513-L537 HydrophobicContact CZ3-CD1 4.26Å; W513-L537 WeakPolarHBondContact CZ3-O 3.49Å; W513-I538 WeakPolarHBondContact O-CD1 3.41Å; W513-R541 HydrophobicContact CD2-CB 3.92Å; W513-R541 HydrophobicContact CD2-CG 3.59Å; W513-R541 HydrophobicContact CE3-CB 3.49Å; W513-R541 VanDerWaalsContact CE3-CB 3.49Å; W513-R541 HydrophobicContact CE3-CG 3.73Å; W513-R541 VanDerWaalsContact CG-CD 3.48Å; W513-R541 HydrophobicContact CG-CG 4.02Å; W513-R541 HydrophobicContact CH2-CB 4.27Å; W513-R541 HydrophobicContact CH2-CG 4.34Å; W513-R541 HydrophobicContact CZ2-CG 4.23Å; W513-R541 HydrophobicContact CZ3-CB 3.68Å; W513-R541 HydrophobicContact CZ3-CG 4.1Å
514N94.1Very high94.4Very high19 Ų1927.8 Ų27.810%0.10215%0.146CC..SBendtrans-115.3137.5176.9-176.5-70.4000109.7N510 W511 D516 G517 L518 Q627 C634N510-N514 WeakPolarHBondContact O-CB 3.42Å; N510-N514 PolarHBondContact O-N 3.42Å; W511-N514 PolarHBondContact O-N 3.26Å; N514-D516 PolarHBondContact O-N 2.73Å; N514-D516 WeakPolarHBondContact OD1-CA 3.35Å; N514-D516 WeakPolarHBondContact OD1-CB 3.35Å; N514-D516 PolarHBondContact OD1-N 2.9Å; N514-G517 PolarHBondContact O-N 3.32Å; N514-G517 PolarHBondContact OD1-N 3.2Å; N514-G517 VanDerWaalsContact OD1-N 3.09Å; N514-L518 WeakPolarHBondContact O-CB 3.47Å; N514-L518 PolarHBondContact O-N 3.25Å; N514-Q627 PolarHBondContact ND2-OE1 3.05Å; N514-C634 PolarHBondContact OD1-SG 3.19Å
515V94.2Very high94Very high55 Ų5529 Ų2933%0.33315%0.152SC..Hα-helixtrans-60-45.3-179.1171.70000111.7K519 L534 I538V515-K519 HydrophobicContact CG1-CD 4.24Å; V515-K519 WeakPolarHBondContact O-CB 3.32Å; V515-K519 VanDerWaalsContact O-CG 3.27Å; V515-K519 WeakPolarHBondContact O-CG 3.33Å; V515-K519 PolarHBondContact O-N 2.9Å; V515-L534 HydrophobicContact CG1-CD2 4.04Å; V515-I538 HydrophobicContact CG2-CG1 4Å
516D93.2Very high93.5Very high88 Ų8836.9 Ų36.947%0.47119%0.194SC..Hα-helixtrans-73.8-36.4-179.8-61.6-34.8000110.7N514 K519 A520N514-D516 PolarHBondContact O-N 2.73Å; N514-D516 WeakPolarHBondContact OD1-CA 3.35Å; N514-D516 WeakPolarHBondContact OD1-CB 3.35Å; N514-D516 PolarHBondContact OD1-N 2.9Å; D516-K519 PolarHBondContact O-N 3.38Å; D516-A520 VanDerWaalsContact O-CB 3.3Å; D516-A520 WeakPolarHBondContact O-CB 3.44Å; D516-A520 PolarHBondContact O-N 3.47Å
517G94.7Very high93.3Very high0 Ų039.9 Ų39.90%021%0.211CC..Hα-helixtrans-58.4-52.3172.300000112.8W511 N514 A520 L521W511-G517 CarbonylContact O-C 3.58Å; W511-G517 WeakPolarHBondContact O-CA 3.15Å; N514-G517 PolarHBondContact O-N 3.32Å; N514-G517 PolarHBondContact OD1-N 3.2Å; N514-G517 VanDerWaalsContact OD1-N 3.09Å; G517-A520 PolarHBondContact O-N 3.38Å; G517-L521 WeakPolarHBondContact O-CB 3.43Å; G517-L521 PolarHBondContact O-N 2.84Å
518L95.3Very high93Very high3 Ų344.2 Ų44.22%0.01624%0.239CC..Hα-helixtrans-65.1-39.7177.8-82.7179.4000112.8F341 W511 V512 N514 A520 L521 L522 L534 L537 I538F341-L518 HydrophobicContact CE1-CD2 4.12Å; W511-L518 PolarHBondContact O-N 2.97Å; V512-L518 HydrophobicContact CB-CD2 4.19Å; V512-L518 VanDerWaalsContact O-CD1 3.31Å; V512-L518 WeakPolarHBondContact O-CD1 3.31Å; V512-L518 WeakPolarHBondContact O-CG 3.21Å; N514-L518 WeakPolarHBondContact O-CB 3.47Å; N514-L518 PolarHBondContact O-N 3.25Å; L518-A520 VanDerWaalsContact C-N 3.34Å; L518-L521 HydrophobicContact CD2-CD2 4.11Å; L518-L521 WeakPolarHBondContact O-CB 3.36Å; L518-L521 PolarHBondContact O-N 3.47Å; L518-L522 WeakPolarHBondContact O-CB 3.3Å; L518-L522 WeakPolarHBondContact O-CG 3.33Å; L518-L522 PolarHBondContact O-N 2.8Å; L518-L534 HydrophobicContact CB-CD1 4.27Å; L518-L534 HydrophobicContact CD1-CD1 3.46Å; L518-L534 VanDerWaalsContact CD1-CD1 3.46Å; L518-L537 HydrophobicContact CD1-CD2 3.87Å; L518-I538 HydrophobicContact CD1-CD1 3.76Å
519K94.5Very high92.9Very high125 Ų12545.1 Ų45.154%0.54324%0.244SC..Hα-helixtrans-62.2-43.2175.2-80177.2178.61770111.9V515 D516 L521 L522 D523V515-K519 HydrophobicContact CG1-CD 4.24Å; V515-K519 WeakPolarHBondContact O-CB 3.32Å; V515-K519 VanDerWaalsContact O-CG 3.27Å; V515-K519 WeakPolarHBondContact O-CG 3.33Å; V515-K519 PolarHBondContact O-N 2.9Å; D516-K519 PolarHBondContact O-N 3.38Å; K519-L521 VanDerWaalsContact C-N 3.33Å; K519-L522 CarbonylContact O-C 3.47Å; K519-L522 PolarHBondContact O-N 3.46Å; K519-D523 WeakPolarHBondContact O-CA 3.2Å; K519-D523 PolarHBondContact O-N 3.21Å
520A94.5Very high92.8Very high22 Ų2246.8 Ų46.818%0.18226%0.257CS..Hα-helixtrans-69.5-32.6177.800000112.2L353 D516 G517 L518 L635L353-A520 HydrophobicContact CD2-CB 3.76Å; D516-A520 VanDerWaalsContact O-CB 3.3Å; D516-A520 WeakPolarHBondContact O-CB 3.44Å; D516-A520 PolarHBondContact O-N 3.47Å; G517-A520 PolarHBondContact O-N 3.38Å; L518-A520 VanDerWaalsContact C-N 3.34Å; A520-L635 HydrophobicContact CB-CD1 3.89Å; A520-L635 HydrophobicContact CB-CD2 4.01Å
521L95.8Very high92.7Very high1 Ų155.1 Ų55.11%0.00529%0.293CS..Hα-helixtrans-65.7-38.5173.5174.758.8000112.2V346 G349 I350 L353 V468 F472 V512 G517 L518 K519V346-L521 HydrophobicContact CG1-CD1 4.5Å; G349-L521 WeakPolarHBondContact CA-O 3.33Å; I350-L521 HydrophobicContact CG1-CD1 3.83Å; L353-L521 HydrophobicContact CD1-CB 3.85Å; L353-L521 HydrophobicContact CD1-CD1 4.38Å; V468-L521 HydrophobicContact CG1-CD2 3.67Å; F472-L521 HydrophobicContact CD2-CD2 4.41Å; F472-L521 HydrophobicContact CE2-CD1 3.77Å; F472-L521 HydrophobicContact CE2-CD2 3.86Å; F472-L521 HydrophobicContact CE2-CG 4.33Å; V512-L521 HydrophobicContact CG1-CD2 4.19Å; G517-L521 WeakPolarHBondContact O-CB 3.43Å; G517-L521 PolarHBondContact O-N 2.84Å; L518-L521 HydrophobicContact CD2-CD2 4.11Å; L518-L521 WeakPolarHBondContact O-CB 3.36Å; L518-L521 PolarHBondContact O-N 3.47Å; K519-L521 VanDerWaalsContact C-N 3.33Å
522L95.4Very high92.6Very high18 Ų1860.8 Ų60.89%0.09432%0.323CS..THydrogen-bonded Turntrans-108.319.2-173.1-58.1177.1000113.3F341 T345 V346 L518 K519 T524 N525 I529F341-L522 HydrophobicContact CD1-CD1 3.88Å; F341-L522 HydrophobicContact CD1-CD2 4.06Å; F341-L522 HydrophobicContact CE1-CD1 3.7Å; T345-L522 HydrophobicContact CG2-CD2 3.97Å; V346-L522 HydrophobicContact CG2-CD2 4.1Å; L518-L522 WeakPolarHBondContact O-CB 3.3Å; L518-L522 WeakPolarHBondContact O-CG 3.33Å; L518-L522 PolarHBondContact O-N 2.8Å; K519-L522 CarbonylContact O-C 3.47Å; K519-L522 PolarHBondContact O-N 3.46Å; L522-T524 PolarHBondContact O-N 2.78Å; L522-T524 VanDerWaalsContact O-N 3.15Å; L522-N525 HydrophobicContact CB-CB 4.28Å; L522-N525 WeakPolarHBondContact O-CB 3.44Å; L522-N525 PolarHBondContact O-N 2.95Å; L522-I529 HydrophobicContact CD1-CD1 3.75Å; L522-I529 HydrophobicContact CD1-CG1 4.3Å
523D90.9Very high92.5Very high100 Ų10062.7 Ų62.754%0.53533%0.334SS..THydrogen-bonded Turntrans-60.3-26.8-174.768.5-23.8000113.7R352 K519 N525R352-D523 IonicContact CZ-OD1 3.75Å; R352-D523 IonicContact NE-OD1 3.09Å; R352-D523 PolarHBondContact NE-OD1 3.05Å; R352-D523 IonicContact NE-OD2 3.56Å; R352-D523 IonicContact NH2-OD1 2.63Å; R352-D523 PolarHBondContact NH2-OD1 3.21Å; K519-D523 WeakPolarHBondContact O-CA 3.2Å; K519-D523 PolarHBondContact O-N 3.21Å; D523-N525 VanDerWaalsContact C-N 3.34Å
524T87.2Confident92.4Very high68 Ų6861.7 Ų61.742%0.41733%0.33SS..THydrogen-bonded Turntrans-90.68.2175.658.70000113.6R352 L522R352-T524 PolarHBondContact NH2-OG1 2.92Å; L522-T524 PolarHBondContact O-N 2.78Å; L522-T524 VanDerWaalsContact O-N 3.15Å
525N86Confident92.4Very high26 Ų2662.7 Ų62.714%0.13934%0.342CS..  trans-83.9128177.4-16512.9000110.8Y340 T345 L522 D523 D527Y340-N525 PolarHBondContact O-ND2 2.92Å; T345-N525 HydrophobicContact CG2-CB 3.89Å; L522-N525 HydrophobicContact CB-CB 4.28Å; L522-N525 WeakPolarHBondContact O-CB 3.44Å; L522-N525 PolarHBondContact O-N 2.95Å; D523-N525 VanDerWaalsContact C-N 3.34Å; N525-D527 VanDerWaalsContact C-N 3.3Å; N525-D527 PolarHBondContact ND2-O 3.29Å; N525-D527 PolarHBondContact O-N 2.89Å; N525-D527 PolarHBondContact OD1-N 2.85Å
526D85.3Confident92.4Very high164 Ų16462.5 Ų62.588%0.87734%0.339SS*.SBendtrans-75.4-19.7178.4-64.1-40.8000112.9P528D526-P528 WeakPolarHBondContact O-CD 3.39Å
527D89.6Confident92.4Very high79 Ų7958.4 Ų58.442%0.42232%0.317SS..SBendtrans-114.885.8175.9-172.918.9000110.5Y340 N525Y340-D527 WeakPolarHBondContact CD1-O 3.32Å; N525-D527 VanDerWaalsContact C-N 3.3Å; N525-D527 PolarHBondContact ND2-O 3.29Å; N525-D527 PolarHBondContact O-N 2.89Å; N525-D527 PolarHBondContact OD1-N 2.85Å
528P90.6Very high92.4Very high91 Ų9160.2 Ų60.259%0.59133%0.326SS*.PPolyproline II helixtrans-68.7146.6-177.328-34.6000112D526 P530D526-P528 WeakPolarHBondContact O-CD 3.39Å; P528-P530 WeakPolarHBondContact O-CD 3.35Å
529I92.6Very high92.3Very high21 Ų2163.5 Ų63.511%0.10834%0.344CS..PPolyproline II helixtrans-59.2126175.2-56.1171000109L337 Y340 F341 L522 K531 L533 L534L337-I529 HydrophobicContact CD1-CG2 4.5Å; Y340-I529 HydrophobicContact CD1-CG1 4.06Å; Y340-I529 HydrophobicContact CD2-CG1 4.27Å; Y340-I529 HydrophobicContact CG-CB 4.47Å; Y340-I529 HydrophobicContact CG-CG1 3.71Å; F341-I529 HydrophobicContact CE1-CD1 4.12Å; F341-I529 HydrophobicContact CZ-CD1 3.88Å; L522-I529 HydrophobicContact CD1-CD1 3.75Å; L522-I529 HydrophobicContact CD1-CG1 4.3Å; I529-K531 PolarHBondContact O-N 3.11Å; I529-L533 HydrophobicContact CG2-CB 4.08Å; I529-L533 HydrophobicContact CG2-CD2 4.19Å; I529-L533 HydrophobicContact CG2-CG 4.06Å; I529-L534 HydrophobicContact CB-CB 4.38Å; I529-L534 HydrophobicContact CD1-CD1 4.38Å; I529-L534 HydrophobicContact CG2-CB 3.85Å
530P93.5Very high92.3Very high60 Ų6057.9 Ų57.939%0.3932%0.32SS..PPolyproline II helixtrans-52.8138.1174.5-27.934.7000111.4Y340 P528 D532 L533 L534Y340-P530 VanDerWaalsContact CZ-CD 3.44Å; Y340-P530 WeakPolarHBondContact OH-CD 3.33Å; P528-P530 WeakPolarHBondContact O-CD 3.35Å; P530-D532 VanDerWaalsContact C-N 3.25Å; P530-D532 PolarHBondContact O-N 2.99Å; P530-D532 VanDerWaalsContact O-N 3.14Å; P530-L533 HydrophobicContact CB-CB 4.2Å; P530-L533 PolarHBondContact O-N 3.43Å; P530-L534 PolarHBondContact O-N 2.91Å
531K93.3Very high92.2Very high178 Ų17859.4 Ų59.477%0.77432%0.321SS*.Hα-helixtrans-52.1-42.8-173.2-174.8-176.5175.5-172.70113.1I529 L534 A535I529-K531 PolarHBondContact O-N 3.11Å; K531-L534 PolarHBondContact O-N 3.11Å; K531-A535 WeakPolarHBondContact O-CB 3.43Å; K531-A535 PolarHBondContact O-N 3.12Å
532D92.9Very high92Very high123 Ų12360.9 Ų60.966%0.65833%0.329SS*.Hα-helixtrans-70.9-39.8-179.1-59.9-24.1000111.3P530 L534 A535 N536P530-D532 VanDerWaalsContact C-N 3.25Å; P530-D532 PolarHBondContact O-N 2.99Å; P530-D532 VanDerWaalsContact O-N 3.14Å; D532-L534 VanDerWaalsContact C-N 3.34Å; D532-L534 PolarHBondContact O-N 3.42Å; D532-A535 PolarHBondContact O-N 3.12Å; D532-N536 VanDerWaalsContact O-CB 3.3Å; D532-N536 WeakPolarHBondContact O-CB 3.5Å; D532-N536 PolarHBondContact O-N 2.87Å
533L93.1Very high91.9Very high41 Ų4160.6 Ų60.622%0.21533%0.329CS..Hα-helixtrans-65-38.8174.7-177.459000111.6L337 Y340 I529 P530 N536 L537L337-L533 HydrophobicContact CD1-CD1 4.19Å; L337-L533 HydrophobicContact CD1-CD2 3.67Å; L337-L533 HydrophobicContact CD1-CG 3.79Å; Y340-L533 HydrophobicContact CD2-CD2 4.24Å; Y340-L533 HydrophobicContact CE2-CD2 3.62Å; I529-L533 HydrophobicContact CG2-CB 4.08Å; I529-L533 HydrophobicContact CG2-CD2 4.19Å; I529-L533 HydrophobicContact CG2-CG 4.06Å; P530-L533 HydrophobicContact CB-CB 4.2Å; P530-L533 PolarHBondContact O-N 3.43Å; L533-N536 PolarHBondContact O-N 3.12Å; L533-L537 WeakPolarHBondContact O-CB 3.31Å; L533-L537 PolarHBondContact O-N 3.37Å
534L93.6Very high92.1Very high13 Ų1356.1 Ų56.17%0.06831%0.305CS..Hα-helixtrans-63.7-46.5174.4179.459.8000111.1V515 L518 I529 P530 K531 D532 N536 L537 I538V515-L534 HydrophobicContact CG1-CD2 4.04Å; L518-L534 HydrophobicContact CB-CD1 4.27Å; L518-L534 HydrophobicContact CD1-CD1 3.46Å; L518-L534 VanDerWaalsContact CD1-CD1 3.46Å; I529-L534 HydrophobicContact CB-CB 4.38Å; I529-L534 HydrophobicContact CD1-CD1 4.38Å; I529-L534 HydrophobicContact CG2-CB 3.85Å; P530-L534 PolarHBondContact O-N 2.91Å; K531-L534 PolarHBondContact O-N 3.11Å; D532-L534 VanDerWaalsContact C-N 3.34Å; D532-L534 PolarHBondContact O-N 3.42Å; L534-N536 VanDerWaalsContact C-N 3.3Å; L534-N536 PolarHBondContact O-N 3.3Å; L534-L537 WeakPolarHBondContact O-CB 3.42Å; L534-L537 PolarHBondContact O-N 2.58Å; L534-I538 HydrophobicContact CD1-CG1 4.4Å; L534-I538 WeakPolarHBondContact O-CG1 3.46Å; L534-I538 PolarHBondContact O-N 3Å
535A93.2Very high92.4Very high41 Ų4153.3 Ų53.334%0.33929%0.288SS..Hα-helixtrans-60.7-41.5176.800000111.7K531 D532 I538 N539K531-A535 WeakPolarHBondContact O-CB 3.43Å; K531-A535 PolarHBondContact O-N 3.12Å; D532-A535 PolarHBondContact O-N 3.12Å; A535-I538 PolarHBondContact O-N 3.42Å; A535-N539 WeakPolarHBondContact O-CB 3.24Å; A535-N539 VanDerWaalsContact O-CG 3.27Å; A535-N539 PolarHBondContact O-N 3.31Å; A535-N539 PolarHBondContact O-ND2 2.99Å; A535-N539 VanDerWaalsContact O-ND2 3.11Å
536N94.6Very high92.8Very high50 Ų5052.1 Ų52.127%0.26728%0.282SS..Hα-helixtrans-62.7-45.5175.3-77.9-3.4000112.5Y330 V332 D532 L533 L534 N539 S540Y330-N536 WeakPolarHBondContact O-CB 3.22Å; Y330-N536 VanDerWaalsContact O-CG 3.28Å; Y330-N536 PolarHBondContact O-ND2 2.9Å; V332-N536 HydrophobicContact CG2-CB 4.11Å; D532-N536 VanDerWaalsContact O-CB 3.3Å; D532-N536 WeakPolarHBondContact O-CB 3.5Å; D532-N536 PolarHBondContact O-N 2.87Å; L533-N536 PolarHBondContact O-N 3.12Å; L534-N536 VanDerWaalsContact C-N 3.3Å; L534-N536 PolarHBondContact O-N 3.3Å; N536-N539 PolarHBondContact O-N 2.63Å; N536-S540 WeakPolarHBondContact O-CB 3.36Å; N536-S540 PolarHBondContact O-N 3.13Å
537L94.5Very high93.3Very high3 Ų344.8 Ų44.82%0.01624%0.243CC..Hα-helixtrans-55.7-52.9173.5174.162.3000110.9V332 L337 F341 H465 W513 L518 L533 L534 N539 S540V332-L537 HydrophobicContact CG1-CD1 4.49Å; L337-L537 HydrophobicContact CD2-CD1 3.66Å; L337-L537 HydrophobicContact CD2-CD2 3.9Å; L337-L537 HydrophobicContact CD2-CG 4.28Å; F341-L537 HydrophobicContact CZ-CD2 4.2Å; H465-L537 HydrophobicContact CB-CD1 4.46Å; W513-L537 HydrophobicContact CZ3-CD1 4.26Å; W513-L537 WeakPolarHBondContact CZ3-O 3.49Å; L518-L537 HydrophobicContact CD1-CD2 3.87Å; L533-L537 WeakPolarHBondContact O-CB 3.31Å; L533-L537 PolarHBondContact O-N 3.37Å; L534-L537 WeakPolarHBondContact O-CB 3.42Å; L534-L537 PolarHBondContact O-N 2.58Å; L537-N539 VanDerWaalsContact C-N 3.33Å; L537-N539 PolarHBondContact O-N 3.45Å; L537-S540 WeakPolarHBondContact O-CB 3.47Å; L537-S540 PolarHBondContact O-N 2.67Å; L537-S540 VanDerWaalsContact O-N 3.08Å; L537-S540 PolarHBondContact O-OG 3.31Å
538I94Very high93.6Very high37 Ų3745.5 Ų45.519%0.1924%0.243CC..Hα-helixtrans-60.3-44.1179.7-62.7-42.2000111.3W513 V515 L518 L534 A535 S540 R541W513-I538 WeakPolarHBondContact O-CD1 3.41Å; V515-I538 HydrophobicContact CG2-CG1 4Å; L518-I538 HydrophobicContact CD1-CD1 3.76Å; L534-I538 HydrophobicContact CD1-CG1 4.4Å; L534-I538 WeakPolarHBondContact O-CG1 3.46Å; L534-I538 PolarHBondContact O-N 3Å; A535-I538 PolarHBondContact O-N 3.42Å; I538-S540 PolarHBondContact O-N 3.45Å; I538-R541 WeakPolarHBondContact O-CB 3.21Å; I538-R541 PolarHBondContact O-N 2.81Å
539N93.2Very high93.9Very high73 Ų7342 Ų4239%0.3922%0.218SC..Hα-helixtrans-64.8-29.6177.8-75.5-36.7000112.5Y330 A535 N536 L537 R541 I542Y330-N539 VanDerWaalsContact CD1-C 3.5Å; Y330-N539 HydrophobicContact CD1-CB 4.03Å; Y330-N539 WeakPolarHBondContact CD1-O 3.4Å; Y330-N539 HydrophobicContact CE1-CB 4.25Å; Y330-N539 WeakPolarHBondContact CE1-O 3.35Å; A535-N539 WeakPolarHBondContact O-CB 3.24Å; A535-N539 VanDerWaalsContact O-CG 3.27Å; A535-N539 PolarHBondContact O-N 3.31Å; A535-N539 PolarHBondContact O-ND2 2.99Å; A535-N539 VanDerWaalsContact O-ND2 3.11Å; N536-N539 PolarHBondContact O-N 2.63Å; L537-N539 VanDerWaalsContact C-N 3.33Å; L537-N539 PolarHBondContact O-N 3.45Å; N539-R541 PolarHBondContact O-N 2.87Å; N539-I542 WeakPolarHBondContact O-CG1 3.4Å
540S93.7Very high94.1Very high7 Ų741 Ų415%0.04921%0.213CC..Hα-helixtrans-68.4-12179.2790000114Y330 N536 L537 I538 I542 A543Y330-S540 VanDerWaalsContact CD1-CA 3.47Å; N536-S540 WeakPolarHBondContact O-CB 3.36Å; N536-S540 PolarHBondContact O-N 3.13Å; L537-S540 WeakPolarHBondContact O-CB 3.47Å; L537-S540 PolarHBondContact O-N 2.67Å; L537-S540 VanDerWaalsContact O-N 3.08Å; L537-S540 PolarHBondContact O-OG 3.31Å; I538-S540 PolarHBondContact O-N 3.45Å; S540-I542 PolarHBondContact O-N 2.7Å; S540-A543 WeakPolarHBondContact O-CB 3.46Å; S540-A543 PolarHBondContact O-N 3.39Å
541R92.7Very high94.3Very high54 Ų5442.5 Ų42.520%0.20421%0.211CC..THydrogen-bonded Turntrans-54.6-39.3176.8-167.4-177.8-170.3179.6-5112.8N510 W513 I538 N539 A543N510-R541 VanDerWaalsContact OD1-CZ 3.25Å; N510-R541 PolarHBondContact OD1-NH1 3Å; N510-R541 PolarHBondContact OD1-NH2 2.75Å; W513-R541 HydrophobicContact CD2-CB 3.92Å; W513-R541 HydrophobicContact CD2-CG 3.59Å; W513-R541 HydrophobicContact CE3-CB 3.49Å; W513-R541 VanDerWaalsContact CE3-CB 3.49Å; W513-R541 HydrophobicContact CE3-CG 3.73Å; W513-R541 VanDerWaalsContact CG-CD 3.48Å; W513-R541 HydrophobicContact CG-CG 4.02Å; W513-R541 HydrophobicContact CH2-CB 4.27Å; W513-R541 HydrophobicContact CH2-CG 4.34Å; W513-R541 HydrophobicContact CZ2-CG 4.23Å; W513-R541 HydrophobicContact CZ3-CB 3.68Å; W513-R541 HydrophobicContact CZ3-CG 4.1Å; I538-R541 WeakPolarHBondContact O-CB 3.21Å; I538-R541 PolarHBondContact O-N 2.81Å; N539-R541 PolarHBondContact O-N 2.87Å; R541-A543 VanDerWaalsContact C-N 3.26Å; R541-A543 PolarHBondContact O-N 3.49Å
542I92.7Very high94.5Very high32 Ų3235.6 Ų35.616%0.16418%0.182CC..THydrogen-bonded Turntrans-84.1-2.8-178.964.8168.4000112.6Y330 N539 S540 N544 A545 L676 K678Y330-I542 HydrophobicContact CE1-CG1 4.47Å; N539-I542 WeakPolarHBondContact O-CG1 3.4Å; S540-I542 PolarHBondContact O-N 2.7Å; I542-N544 PolarHBondContact O-N 3.39Å; I542-N544 VanDerWaalsContact O-N 3.16Å; I542-A545 WeakPolarHBondContact O-CB 3.44Å; I542-A545 PolarHBondContact O-N 3.27Å; I542-L676 WeakPolarHBondContact CG2-O 3.35Å; I542-K678 HydrophobicContact CD1-CD 3.72Å; I542-K678 HydrophobicContact CD1-CG 4.3Å
543A92.8Very high94.7Very high11 Ų1129.8 Ų29.89%0.09115%0.15CC..THydrogen-bonded Turntrans-63.2119.5-178.200000110.1V325 K326 Y330 S540 R541 A545V325-A543 HydrophobicContact CG1-CB 4.48Å; K326-A543 HydrophobicContact CG-CB 4.03Å; Y330-A543 HydrophobicContact CD2-CB 3.74Å; Y330-A543 HydrophobicContact CE2-CB 3.37Å; S540-A543 WeakPolarHBondContact O-CB 3.46Å; S540-A543 PolarHBondContact O-N 3.39Å; R541-A543 VanDerWaalsContact C-N 3.26Å; R541-A543 PolarHBondContact O-N 3.49Å; A543-A545 PolarHBondContact O-N 3.34Å
544N95Very high94.9Very high6 Ų628 Ų283%0.03214%0.141CC..THydrogen-bonded Turntrans64.921.8179.8-37.6-80.2000114.3E290 M322 I542 G546 L547 F548E290-N544 VanDerWaalsContact CD-CA 3.44Å; E290-N544 VanDerWaalsContact OE2-CA 3.26Å; E290-N544 WeakPolarHBondContact OE2-CA 3.26Å; M322-N544 HydrophobicContact CB-CB 4.36Å; M322-N544 HydrophobicContact CE-CB 3.45Å; M322-N544 VanDerWaalsContact CE-CB 3.45Å; M322-N544 HydrophobicContact CG-CB 3.94Å; M322-N544 PolarHBondContact O-ND2 2.98Å; M322-N544 HydrophobicContact SD-CB 4.49Å; I542-N544 PolarHBondContact O-N 3.39Å; I542-N544 VanDerWaalsContact O-N 3.16Å; N544-G546 VanDerWaalsContact C-N 3.33Å; N544-G546 PolarHBondContact O-N 3.28Å; N544-L547 PolarHBondContact O-N 2.75Å; N544-F548 VanDerWaalsContact O-CB 3.26Å; N544-F548 WeakPolarHBondContact O-CB 3.35Å; N544-F548 PolarHBondContact O-N 3.2Å
545A93.8Very high95.2Very high9 Ų927.6 Ų27.67%0.07414%0.139CC..Hα-helixtrans-61.5-41-177.500000112E290 I542 A543 L547 F548 Y549 L677E290-A545 PolarHBondContact OE1-N 3.09Å; I542-A545 WeakPolarHBondContact O-CB 3.44Å; I542-A545 PolarHBondContact O-N 3.27Å; A543-A545 PolarHBondContact O-N 3.34Å; A545-L547 PolarHBondContact O-N 3.38Å; A545-F548 PolarHBondContact O-N 2.88Å; A545-Y549 HydrophobicContact CB-CD2 4.19Å; A545-Y549 HydrophobicContact CB-CE2 4.08Å; A545-Y549 WeakPolarHBondContact O-CB 3.49Å; A545-Y549 WeakPolarHBondContact O-CD2 3.21Å; A545-Y549 PolarHBondContact O-N 3.37Å; A545-L677 HydrophobicContact CB-CD2 3.9Å
546G94.9Very high95.4Very high1 Ų125.7 Ų25.71%0.0112%0.123CC..Hα-helixtrans-56.1-51.1177.400000112.2E290 N544 S550E290-G546 VanDerWaalsContact CD-N 3.33Å; E290-G546 PolarHBondContact OE1-N 3.4Å; E290-G546 VanDerWaalsContact OE2-CA 3.26Å; E290-G546 WeakPolarHBondContact OE2-CA 3.25Å; E290-G546 PolarHBondContact OE2-N 3.03Å; N544-G546 VanDerWaalsContact C-N 3.33Å; N544-G546 PolarHBondContact O-N 3.28Å; G546-S550 WeakPolarHBondContact O-CB 3.43Å; G546-S550 PolarHBondContact O-N 2.93Å; G546-S550 PolarHBondContact O-OG 3.22Å
547L95.6Very high95.6Very high11 Ų1123.9 Ų23.96%0.05812%0.115CC..Hα-helixtrans-67-43177-86.1170.8000112.7E287 E290 T291 L294 N544 A545 S550 R551E287-L547 HydrophobicContact CG-CD2 4Å; E287-L547 HydrophobicContact CG-CG 4.33Å; E290-L547 HydrophobicContact CB-CD1 3.87Å; E290-L547 HydrophobicContact CB-CG 4.16Å; E290-L547 PolarHBondContact OE2-N 3.49Å; T291-L547 WeakPolarHBondContact OG1-CD2 3.48Å; L294-L547 HydrophobicContact CD1-CD1 3.42Å; L294-L547 VanDerWaalsContact CD1-CD1 3.42Å; L294-L547 HydrophobicContact CG-CD1 4.08Å; N544-L547 PolarHBondContact O-N 2.75Å; A545-L547 PolarHBondContact O-N 3.38Å; L547-S550 PolarHBondContact O-N 3.22Å; L547-R551 PolarHBondContact O-N 3.28Å
548F95.4Very high95.7Very high94 Ų9423.8 Ų23.841%0.41211%0.114SC..Hα-helixtrans-58.8-54.5179.3173.9-97.9000111.2M322 N544 A545 R551 Q552M322-F548 HydrophobicContact CE-CB 4.4Å; N544-F548 VanDerWaalsContact O-CB 3.26Å; N544-F548 WeakPolarHBondContact O-CB 3.35Å; N544-F548 PolarHBondContact O-N 3.2Å; A545-F548 PolarHBondContact O-N 2.88Å; F548-R551 WeakPolarHBondContact O-CB 2.98Å; F548-R551 PolarHBondContact O-N 2.9Å; F548-Q552 HydrophobicContact CE1-CG 4.16Å; F548-Q552 HydrophobicContact CZ-CG 4.33Å; F548-Q552 PolarHBondContact O-N 2.75Å; F548-Q552 VanDerWaalsContact O-N 3.16Å
549Y96.3Very high95.9Very high16 Ų1622 Ų226%0.06311%0.105CC..Hα-helixtrans-71.2-33.1-179.7-69.7-60.8000112.4L283 A545 R551 Q552 I553 L612 E615 F673 L677L283-Y549 HydrophobicContact CD1-CD2 4.21Å; L283-Y549 HydrophobicContact CD1-CG 4.09Å; A545-Y549 HydrophobicContact CB-CD2 4.19Å; A545-Y549 HydrophobicContact CB-CE2 4.08Å; A545-Y549 WeakPolarHBondContact O-CB 3.49Å; A545-Y549 WeakPolarHBondContact O-CD2 3.21Å; A545-Y549 PolarHBondContact O-N 3.37Å; Y549-R551 PolarHBondContact O-N 2.92Å; Y549-Q552 CarbonylContact O-C 3.53Å; Y549-Q552 WeakPolarHBondContact O-CA 3.45Å; Y549-Q552 PolarHBondContact O-N 2.85Å; Y549-I553 VanDerWaalsContact O-CG1 3.27Å; Y549-I553 WeakPolarHBondContact O-CG1 3.37Å; Y549-I553 PolarHBondContact O-N 3.08Å; Y549-L612 HydrophobicContact CD1-CD1 3.73Å; Y549-L612 HydrophobicContact CE1-CD1 4.07Å; Y549-E615 WeakPolarHBondContact CE1-OE1 3.25Å; Y549-E615 WeakPolarHBondContact CE1-OE2 3.38Å; Y549-E615 PolarHBondContact OH-OE1 2.91Å; Y549-F673 HydrophobicContact CD1-CZ 4.08Å; Y549-F673 HydrophobicContact CD2-CZ 4.07Å; Y549-F673 HydrophobicContact CE1-CE2 4.02Å; Y549-F673 AromaticContact CE1-CZ 3.79Å; Y549-F673 HydrophobicContact CE1-CZ 3.79Å; Y549-F673 HydrophobicContact CE2-CE2 4.27Å; Y549-F673 AromaticContact CE2-CZ 3.83Å; Y549-F673 HydrophobicContact CE2-CZ 3.83Å; Y549-F673 HydrophobicContact CG-CZ 4.21Å; Y549-F673 AromaticContact CZ-CE2 3.76Å; Y549-F673 AromaticContact CZ-CZ 3.66Å; Y549-L677 HydrophobicContact CD2-CD1 3.72Å; Y549-L677 HydrophobicContact CE2-CD1 3.5Å; Y549-L677 HydrophobicContact CE2-CD2 3.73Å; Y549-L677 HydrophobicContact CE2-CG 4.25Å
550S97.3Very high96.2Very high2 Ų219.2 Ų19.21%0.0149%0.09CC..Hα-helixtrans-59.7-35.3172.5-64.80000111.7G546 L547 I553 L554 W582G546-S550 WeakPolarHBondContact O-CB 3.43Å; G546-S550 PolarHBondContact O-N 2.93Å; G546-S550 PolarHBondContact O-OG 3.22Å; L547-S550 PolarHBondContact O-N 3.22Å; S550-I553 PolarHBondContact O-N 3.01Å; S550-L554 PolarHBondContact O-N 2.63Å; S550-W582 WeakPolarHBondContact CB-O 3.4Å
551R97.4Very high96.3Very high90 Ų9019.3 Ų19.334%0.349%0.091SC..Hα-helixtrans-66.8-41170.7-170.9-177.9177.7-74.4-6.3112.2L547 F548 Y549 I553 L554 L555 I583L547-R551 PolarHBondContact O-N 3.28Å; F548-R551 WeakPolarHBondContact O-CB 2.98Å; F548-R551 PolarHBondContact O-N 2.9Å; Y549-R551 PolarHBondContact O-N 2.92Å; R551-I553 VanDerWaalsContact C-N 3.32Å; R551-I553 PolarHBondContact O-N 3.41Å; R551-L554 WeakPolarHBondContact O-CB 3.29Å; R551-L554 PolarHBondContact O-N 3.04Å; R551-L555 WeakPolarHBondContact O-CG 3.2Å; R551-L555 PolarHBondContact O-N 3.02Å; R551-L555 VanDerWaalsContact O-N 3.11Å; R551-I583 HydrophobicContact CB-CG2 4.34Å
552Q97.1Very high96.5Very high34 Ų3416.9 Ų16.916%0.1598%0.082CC..Hα-helixtrans-64-39.2175.9-58.3-54-21.300112F548 Y549 L555 A556 Y608F548-Q552 HydrophobicContact CE1-CG 4.16Å; F548-Q552 HydrophobicContact CZ-CG 4.33Å; F548-Q552 PolarHBondContact O-N 2.75Å; F548-Q552 VanDerWaalsContact O-N 3.16Å; Y549-Q552 CarbonylContact O-C 3.53Å; Y549-Q552 WeakPolarHBondContact O-CA 3.45Å; Y549-Q552 PolarHBondContact O-N 2.85Å; Q552-L555 PolarHBondContact O-N 3.42Å; Q552-A556 WeakPolarHBondContact O-CB 3.22Å; Q552-A556 PolarHBondContact O-N 3.08Å; Q552-Y608 PolarHBondContact OE1-OH 2.91Å; Q552-Y608 VanDerWaalsContact OE1-OH 3.13Å
553I98.3Very high96.7Very high0 Ų015.7 Ų15.70%08%0.075CC..Hα-helixtrans-64.6-40175.3-65.7165.3000110.7L276 V279 L283 Y549 S550 R551 A556 S557 W582 L612L276-I553 HydrophobicContact CB-CG2 4.36Å; L276-I553 HydrophobicContact CD2-CG1 4.49Å; V279-I553 HydrophobicContact CB-CD1 4.32Å; V279-I553 HydrophobicContact CG1-CD1 4.03Å; L283-I553 HydrophobicContact CD1-CD1 4.28Å; Y549-I553 VanDerWaalsContact O-CG1 3.27Å; Y549-I553 WeakPolarHBondContact O-CG1 3.37Å; Y549-I553 PolarHBondContact O-N 3.08Å; S550-I553 PolarHBondContact O-N 3.01Å; R551-I553 VanDerWaalsContact C-N 3.32Å; R551-I553 PolarHBondContact O-N 3.41Å; I553-A556 PolarHBondContact O-N 2.76Å; I553-S557 WeakPolarHBondContact O-CB 3.09Å; I553-S557 PolarHBondContact O-N 3.24Å; I553-S557 PolarHBondContact O-OG 3.26Å; I553-W582 HydrophobicContact CG2-CD2 3.54Å; I553-W582 VanDerWaalsContact CG2-CE2 3.45Å; I553-W582 HydrophobicContact CG2-CE3 3.86Å; I553-W582 HydrophobicContact CG2-CG 4.04Å; I553-W582 HydrophobicContact CG2-CH2 4.12Å; I553-W582 HydrophobicContact CG2-CZ2 3.73Å; I553-W582 HydrophobicContact CG2-CZ3 4.17Å; I553-L612 HydrophobicContact CD1-CD2 4.25Å; I553-L612 HydrophobicContact CG1-CD2 3.58Å
554L98Very high96.8Very high4 Ų416 Ų162%0.0218%0.077CC..Hα-helixtrans-55.4-51.5171.616361.4000111.4S550 R551 S557 F558 F575 L578 S579 W582 I583S550-L554 PolarHBondContact O-N 2.63Å; R551-L554 WeakPolarHBondContact O-CB 3.29Å; R551-L554 PolarHBondContact O-N 3.04Å; L554-S557 PolarHBondContact O-N 3.42Å; L554-F558 WeakPolarHBondContact O-CB 3.44Å; L554-F558 PolarHBondContact O-N 3.36Å; L554-F575 HydrophobicContact CD1-CD2 4.25Å; L554-F575 HydrophobicContact CD1-CE2 3.98Å; L554-F575 HydrophobicContact CD2-CE2 4.15Å; L554-F575 HydrophobicContact CD2-CZ 4.07Å; L554-F575 HydrophobicContact CG-CE2 4.03Å; L554-F575 HydrophobicContact CG-CZ 4.45Å; L554-L578 VanDerWaalsContact CD1-C 3.46Å; L554-L578 HydrophobicContact CD1-CB 3.47Å; L554-L578 VanDerWaalsContact CD1-CB 3.47Å; L554-S579 WeakPolarHBondContact CD2-OG 3.5Å; L554-W582 HydrophobicContact CB-CB 4.19Å; L554-I583 HydrophobicContact CD2-CD1 3.76Å; L554-I583 HydrophobicContact CD2-CG1 4.22Å
555L98.2Very high96.2Very high4 Ų420.8 Ų20.82%0.02111%0.106CC..Hα-helixtrans-62.7-45.8-179.1-63.9-174.4000112.2R551 Q552 F558 D559 F575 M593 F597 Y608R551-L555 WeakPolarHBondContact O-CG 3.2Å; R551-L555 PolarHBondContact O-N 3.02Å; R551-L555 VanDerWaalsContact O-N 3.11Å; Q552-L555 PolarHBondContact O-N 3.42Å; L555-F558 PolarHBondContact O-N 3.39Å; L555-D559 WeakPolarHBondContact O-CB 3.25Å; L555-D559 PolarHBondContact O-N 3.07Å; L555-F575 HydrophobicContact CD2-CE2 4.43Å; L555-M593 HydrophobicContact CD2-CE 3.16Å; L555-M593 HydrophobicContact CD2-SD 4.39Å; L555-F597 HydrophobicContact CB-CE1 4.13Å; L555-F597 HydrophobicContact CB-CZ 3.91Å; L555-F597 HydrophobicContact CD1-CE2 4.34Å; L555-F597 HydrophobicContact CD1-CZ 4.15Å; L555-F597 HydrophobicContact CD2-CE1 4.24Å; L555-F597 HydrophobicContact CD2-CZ 4.29Å; L555-F597 HydrophobicContact CG-CZ 4.34Å; L555-Y608 HydrophobicContact CB-CD1 3.6Å; L555-Y608 HydrophobicContact CB-CE1 3.31Å; L555-Y608 HydrophobicContact CD1-CE1 3.62Å; L555-Y608 VanDerWaalsContact CD1-OH 3.29Å; L555-Y608 WeakPolarHBondContact CD1-OH 3.29Å; L555-Y608 HydrophobicContact CG-CE1 4.1Å
556A98.2Very high95.2Very high1 Ų125.9 Ų25.91%0.00813%0.132CC..Hα-helixtrans-64.7-41.6177.800000111.9L276 Q552 I553 F558 D559 Q560 Y608L276-A556 HydrophobicContact CD1-CB 3.82Å; L276-A556 HydrophobicContact CD2-CB 3.75Å; L276-A556 HydrophobicContact CG-CB 4.46Å; Q552-A556 WeakPolarHBondContact O-CB 3.22Å; Q552-A556 PolarHBondContact O-N 3.08Å; I553-A556 PolarHBondContact O-N 2.76Å; A556-F558 VanDerWaalsContact C-N 3.34Å; A556-D559 PolarHBondContact O-N 3.36Å; A556-Q560 WeakPolarHBondContact O-CG 3.38Å; A556-Q560 PolarHBondContact O-N 3.37Å; A556-Y608 HydrophobicContact CB-CD1 4.2Å
557S97.8Very high94.2Very high13 Ų1329 Ų299%0.09114%0.143CC..Hα-helixtrans-64.9-40.1177.3-60.40000111.4I553 L554 Q560 A561 W582I553-S557 WeakPolarHBondContact O-CB 3.09Å; I553-S557 PolarHBondContact O-N 3.24Å; I553-S557 PolarHBondContact O-OG 3.26Å; L554-S557 PolarHBondContact O-N 3.42Å; S557-Q560 PolarHBondContact O-N 3.32Å; S557-A561 VanDerWaalsContact O-CB 3.24Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 2.88Å; S557-W582 PolarHBondContact OG-NE1 3.5Å
558F98Very high93.3Very high0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-65.5-46.6176.8176.9-96.8000111.2L554 L555 A556 Q560 A561 I562 P571 T574 F575 L578 P594 L600L554-F558 WeakPolarHBondContact O-CB 3.44Å; L554-F558 PolarHBondContact O-N 3.36Å; L555-F558 PolarHBondContact O-N 3.39Å; A556-F558 VanDerWaalsContact C-N 3.34Å; F558-Q560 VanDerWaalsContact C-N 3.33Å; F558-Q560 PolarHBondContact O-N 2.65Å; F558-A561 PolarHBondContact O-N 2.64Å; F558-I562 HydrophobicContact CD2-CG2 4.23Å; F558-I562 HydrophobicContact CE1-CD1 3.92Å; F558-I562 HydrophobicContact CE1-CG2 4.04Å; F558-I562 HydrophobicContact CE2-CG2 3.66Å; F558-I562 HydrophobicContact CZ-CD1 4.35Å; F558-I562 HydrophobicContact CZ-CG2 3.57Å; F558-I562 WeakPolarHBondContact O-CG1 3.34Å; F558-I562 PolarHBondContact O-N 3.17Å; F558-I562 VanDerWaalsContact O-N 3.11Å; F558-P571 HydrophobicContact CE2-CB 4.22Å; F558-P571 WeakPolarHBondContact CE2-O 3.49Å; F558-P571 HydrophobicContact CZ-CB 4.07Å; F558-T574 HydrophobicContact CD2-CG2 4.18Å; F558-T574 HydrophobicContact CE2-CG2 4.39Å; F558-F575 HydrophobicContact CB-CD2 4.19Å; F558-F575 HydrophobicContact CD1-CD2 4.46Å; F558-F575 HydrophobicContact CD2-CB 3.76Å; F558-F575 AromaticContact CD2-CD2 3.86Å; F558-F575 HydrophobicContact CD2-CD2 3.86Å; F558-F575 HydrophobicContact CD2-CG 4.32Å; F558-F575 HydrophobicContact CE2-CB 3.76Å; F558-F575 HydrophobicContact CE2-CD2 4.41Å; F558-F575 AromaticContact CG-CD2 3.88Å; F558-F575 HydrophobicContact CG-CD2 3.88Å; F558-L578 VanDerWaalsContact CA-CD1 3.5Å; F558-L578 HydrophobicContact CB-CD1 3.89Å; F558-L578 HydrophobicContact CD2-CD1 4.37Å; F558-P594 HydrophobicContact CD1-CB 4.35Å; F558-P594 HydrophobicContact CD1-CG 4.13Å; F558-P594 HydrophobicContact CE1-CB 3.5Å; F558-P594 VanDerWaalsContact CE1-CB 3.5Å; F558-P594 HydrophobicContact CE1-CG 3.64Å; F558-P594 HydrophobicContact CE2-CG 4.17Å; F558-P594 HydrophobicContact CZ-CB 3.63Å; F558-P594 HydrophobicContact CZ-CG 3.64Å; F558-L600 HydrophobicContact CE1-CD1 3.88Å
559D98.2Very high92.5Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-57-44.4175.1174.746.2000111.9L555 A556 I562 H563 L600 A606 R607 Y608L555-D559 WeakPolarHBondContact O-CB 3.25Å; L555-D559 PolarHBondContact O-N 3.07Å; A556-D559 PolarHBondContact O-N 3.36Å; D559-I562 WeakPolarHBondContact O-CG1 3.31Å; D559-H563 PolarHBondContact O-N 2.9Å; D559-H563 PolarHBondContact O-ND1 3.48Å; D559-H563 IonicContact OD1-CE1 2.85Å; D559-H563 PolarHBondContact OD1-CE1 3.45Å; D559-H563 IonicContact OD1-ND1 3.65Å; D559-H563 PolarHBondContact OD1-ND1 3.3Å; D559-L600 HydrophobicContact CB-CD2 4.09Å; D559-A606 WeakPolarHBondContact OD1-CA 3.5Å; D559-A606 PolarHBondContact OD1-N 3.46Å; D559-A606 WeakPolarHBondContact OD2-CA 3.3Å; D559-A606 PolarHBondContact OD2-N 2.79Å; D559-R607 PolarHBondContact OD2-N 3.29Å; D559-Y608 WeakPolarHBondContact OD2-CB 3.43Å; D559-Y608 PolarHBondContact OD2-N 2.81Å
560Q98.1Very high92.2Very high15 Ų1537.8 Ų37.87%0.0719%0.193CC..Hα-helixtrans-66.3-42.7174.8-68.1-56.6-66.700112.5V272 L276 A556 S557 F558 I562 H563 T564 A606V272-Q560 HydrophobicContact CG1-CG 3.71Å; L276-Q560 HydrophobicContact CD1-CG 4.42Å; A556-Q560 WeakPolarHBondContact O-CG 3.38Å; A556-Q560 PolarHBondContact O-N 3.37Å; S557-Q560 PolarHBondContact O-N 3.32Å; F558-Q560 VanDerWaalsContact C-N 3.33Å; F558-Q560 PolarHBondContact O-N 2.65Å; Q560-I562 PolarHBondContact O-N 3.36Å; Q560-H563 PolarHBondContact O-N 3.35Å; Q560-T564 WeakPolarHBondContact O-CB 3.49Å; Q560-T564 VanDerWaalsContact O-CG2 3.28Å; Q560-T564 WeakPolarHBondContact O-CG2 3.49Å; Q560-T564 PolarHBondContact O-N 2.5Å; Q560-T564 PolarHBondContact O-OG1 2.74Å; Q560-A606 PolarHBondContact NE2-O 2.83Å
561A97Very high92Very high9 Ų937.7 Ų37.77%0.07419%0.192CC..Hα-helixtrans-59.2-48.7-17700000112S557 F558 H563 T564 N566 T574 L578S557-A561 VanDerWaalsContact O-CB 3.24Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 2.88Å; F558-A561 PolarHBondContact O-N 2.64Å; A561-H563 VanDerWaalsContact C-N 3.26Å; A561-H563 PolarHBondContact O-N 2.98Å; A561-T564 PolarHBondContact O-N 2.88Å; A561-T564 PolarHBondContact O-OG1 3.1Å; A561-N566 WeakPolarHBondContact CB-O 3.49Å; A561-T574 HydrophobicContact CB-CG2 3.9Å; A561-L578 HydrophobicContact CB-CD1 4.39Å
562I96.4Very high91.9Very high3 Ų335.7 Ų35.72%0.01519%0.186CC..Hα-helixtrans-71.9-18.4-177.668.5167.7000113.8L237 M241 F558 D559 Q560 P571 L600L237-I562 HydrophobicContact CD1-CD1 3.97Å; M241-I562 HydrophobicContact CE-CB 3.71Å; M241-I562 HydrophobicContact CE-CG2 4.01Å; M241-I562 HydrophobicContact CG-CB 4.22Å; M241-I562 HydrophobicContact CG-CD1 4.45Å; M241-I562 HydrophobicContact SD-CB 3.93Å; M241-I562 HydrophobicContact SD-CD1 4.44Å; M241-I562 HydrophobicContact SD-CG2 4.26Å; F558-I562 HydrophobicContact CD2-CG2 4.23Å; F558-I562 HydrophobicContact CE1-CD1 3.92Å; F558-I562 HydrophobicContact CE1-CG2 4.04Å; F558-I562 HydrophobicContact CE2-CG2 3.66Å; F558-I562 HydrophobicContact CZ-CD1 4.35Å; F558-I562 HydrophobicContact CZ-CG2 3.57Å; F558-I562 WeakPolarHBondContact O-CG1 3.34Å; F558-I562 PolarHBondContact O-N 3.17Å; F558-I562 VanDerWaalsContact O-N 3.11Å; D559-I562 WeakPolarHBondContact O-CG1 3.31Å; Q560-I562 PolarHBondContact O-N 3.36Å; I562-P571 HydrophobicContact CG2-CB 4.45Å; I562-L600 HydrophobicContact CD1-CD1 4.04Å; I562-L600 HydrophobicContact CD1-CD2 4.05Å
563H97.4Very high91.8Very high6 Ų636.4 Ų36.43%0.02819%0.193CC..Hα-helixtrans-102.22.5178.1-65.2117.2000113.7R244 T255 H256 A257 D559 Q560 A561 A606R244-H563 PolarHBondContact NH1-NE2 3.48Å; T255-H563 WeakPolarHBondContact CB-O 3.08Å; H256-H563 HydrophobicContact CB-CB 4.38Å; H256-H563 AromaticContact CD2-CD2 3.38Å; H256-H563 PolarHBondContact CD2-CD2 2.82Å; H256-H563 AromaticContact CD2-CG 3.77Å; H256-H563 PolarHBondContact N-O 2.61Å; A257-H563 HydrophobicContact CB-CB 4.25Å; A257-H563 PolarHBondContact N-O 2.55Å; D559-H563 PolarHBondContact O-N 2.9Å; D559-H563 PolarHBondContact O-ND1 3.48Å; D559-H563 IonicContact OD1-CE1 2.85Å; D559-H563 PolarHBondContact OD1-CE1 3.45Å; D559-H563 IonicContact OD1-ND1 3.65Å; D559-H563 PolarHBondContact OD1-ND1 3.3Å; Q560-H563 PolarHBondContact O-N 3.35Å; A561-H563 VanDerWaalsContact C-N 3.26Å; A561-H563 PolarHBondContact O-N 2.98Å; H563-A606 HydrophobicContact CB-CB 3.88Å; H563-A606 PolarHBondContact ND1-N 2.95Å
564T95.3Very high91.7Very high19 Ų1936.8 Ų36.812%0.11720%0.196CC..SBendtrans-116-152.617256.80000109.7T255 A257 A269 Q560 A561 N566T255-T564 HydrophobicContact CG2-CG2 4.29Å; A257-T564 HydrophobicContact CB-CG2 3.55Å; A269-T564 HydrophobicContact CB-CG2 3.8Å; Q560-T564 WeakPolarHBondContact O-CB 3.49Å; Q560-T564 VanDerWaalsContact O-CG2 3.28Å; Q560-T564 WeakPolarHBondContact O-CG2 3.49Å; Q560-T564 PolarHBondContact O-N 2.5Å; Q560-T564 PolarHBondContact O-OG1 2.74Å; A561-T564 PolarHBondContact O-N 2.88Å; A561-T564 PolarHBondContact O-OG1 3.1Å; T564-N566 PolarHBondContact OG1-N 3.01Å
565T80.9Confident91.6Very high106 Ų10637.2 Ų37.265%0.6520%0.197SC*.SBendtrans-102.94.817451.60000112.7T255 W567T255-T565 HydrophobicContact CG2-CG2 4.43Å; T565-W567 PolarHBondContact O-N 3.06Å
566N73.4Confident91.6Very high115 Ų11538.3 Ų38.362%0.61520%0.204SC*.  trans-95.440.6-172.3-67.7-19.1000113.2A561 T564A561-N566 WeakPolarHBondContact CB-O 3.49Å; T564-N566 PolarHBondContact OG1-N 3.01Å
567W74.5Confident91.4Very high67 Ų6741.6 Ų41.625%0.25422%0.222SC..  trans-125.9149.8177.170.5-76000110.9M241 T565 D569 T574M241-W567 HydrophobicContact CE-CD2 3.32Å; M241-W567 VanDerWaalsContact CE-CE2 3.47Å; M241-W567 HydrophobicContact CE-CE3 3.26Å; M241-W567 HydrophobicContact CE-CG 4.03Å; M241-W567 HydrophobicContact CE-CH2 3.75Å; M241-W567 HydrophobicContact CE-CZ2 3.7Å; M241-W567 HydrophobicContact CE-CZ3 3.51Å; T565-W567 PolarHBondContact O-N 3.06Å; W567-D569 WeakPolarHBondContact CZ3-O 3.41Å; W567-T574 HydrophobicContact CB-CG2 4.24Å
568E75.7Confident91.4Very high94 Ų9442.2 Ų42.244%0.43922%0.224SC..  trans-83.5153.9172.8-61.9-177.4-144.800110.1D570 V573 T574 N577E568-D570 CarbonylContact O-C 3.54Å; E568-D570 PolarHBondContact O-N 2.92Å; E568-V573 WeakPolarHBondContact OE2-CG1 3.23Å; E568-T574 PolarHBondContact N-OG1 3.2Å; E568-N577 PolarHBondContact OE1-ND2 3.35Å
569D78.8Confident91.3Very high152 Ų15242.3 Ų42.381%0.81323%0.225SC*.SBendtrans-47.9-19.2-177-66.5-31.6000115.5W567W567-D569 WeakPolarHBondContact CZ3-O 3.41Å
570D90.3Very high91.2Very high60 Ų6046.6 Ų46.632%0.32124%0.243SC..SBendtrans-114.1117.1169.1-1711.4000112.8E568 Q572 V573 T574E568-D570 CarbonylContact O-C 3.54Å; E568-D570 PolarHBondContact O-N 2.92Å; D570-Q572 PolarHBondContact O-N 3.37Å; D570-Q572 WeakPolarHBondContact OD1-CB 3.23Å; D570-Q572 PolarHBondContact OD1-N 2.83Å; D570-V573 HydrophobicContact CB-CB 4.46Å; D570-V573 HydrophobicContact CB-CG2 3.91Å; D570-V573 PolarHBondContact O-N 3.2Å; D570-T574 PolarHBondContact O-N 3Å
571P93.9Very high91.1Very high0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-61.9-23.1175.827.1-35.9000113.3K238 F558 I562 V573 T574 F575 F592K238-P571 HydrophobicContact CG-CG 4.39Å; F558-P571 HydrophobicContact CE2-CB 4.22Å; F558-P571 WeakPolarHBondContact CE2-O 3.49Å; F558-P571 HydrophobicContact CZ-CB 4.07Å; I562-P571 HydrophobicContact CG2-CB 4.45Å; P571-V573 VanDerWaalsContact C-N 3.33Å; P571-T574 PolarHBondContact O-N 2.79Å; P571-F575 WeakPolarHBondContact O-CB 3.44Å; P571-F575 PolarHBondContact O-N 3.26Å; P571-F592 HydrophobicContact CB-CE2 4.48Å; P571-F592 HydrophobicContact CB-CZ 3.92Å; P571-F592 HydrophobicContact CG-CZ 3.88Å
572Q94.6Very high91Very high47 Ų4751 Ų5122%0.2226%0.26CS..Hα-helixtrans-61.9-42.5171.8175.967.947.700111.6D570 F575 T576 T591 F592D570-Q572 PolarHBondContact O-N 3.37Å; D570-Q572 WeakPolarHBondContact OD1-CB 3.23Å; D570-Q572 PolarHBondContact OD1-N 2.83Å; Q572-F575 PolarHBondContact O-N 2.99Å; Q572-T576 PolarHBondContact NE2-OG1 2.77Å; Q572-T576 WeakPolarHBondContact O-CB 3.41Å; Q572-T576 PolarHBondContact O-N 3.08Å; Q572-T576 PolarHBondContact O-OG1 2.8Å; Q572-T591 PolarHBondContact NE2-O 3.33Å; Q572-T591 PolarHBondContact OE1-O 2.85Å; Q572-T591 VanDerWaalsContact OE1-O 3.08Å; Q572-F592 HydrophobicContact CB-CD2 4.17Å; Q572-F592 HydrophobicContact CB-CE2 4.18Å
573V95.1Very high90.9Very high50 Ų5052 Ų5230%0.30327%0.265SS..Hα-helixtrans-68.8-43.7-178.7-1750000109.8E568 D570 P571 F575 T576 N577E568-V573 WeakPolarHBondContact OE2-CG1 3.23Å; D570-V573 HydrophobicContact CB-CB 4.46Å; D570-V573 HydrophobicContact CB-CG2 3.91Å; D570-V573 PolarHBondContact O-N 3.2Å; P571-V573 VanDerWaalsContact C-N 3.33Å; V573-F575 VanDerWaalsContact C-N 3.34Å; V573-F575 PolarHBondContact O-N 3.33Å; V573-T576 PolarHBondContact O-N 3.39Å; V573-T576 VanDerWaalsContact O-N 3.16Å; V573-N577 WeakPolarHBondContact O-CB 3.34Å; V573-N577 PolarHBondContact O-N 2.95Å
574T95.9Very high90.8Very high8 Ų854.4 Ų54.45%0.04929%0.291CS..Hα-helixtrans-54.8-48.9173.2-580000111.4F558 A561 W567 E568 D570 P571 T576 N577 L578F558-T574 HydrophobicContact CD2-CG2 4.18Å; F558-T574 HydrophobicContact CE2-CG2 4.39Å; A561-T574 HydrophobicContact CB-CG2 3.9Å; W567-T574 HydrophobicContact CB-CG2 4.24Å; E568-T574 PolarHBondContact N-OG1 3.2Å; D570-T574 PolarHBondContact O-N 3Å; P571-T574 PolarHBondContact O-N 2.79Å; T574-T576 VanDerWaalsContact C-N 3.35Å; T574-T576 PolarHBondContact O-N 3.37Å; T574-N577 PolarHBondContact O-N 3.14Å; T574-L578 HydrophobicContact CG2-CD1 4.04Å; T574-L578 WeakPolarHBondContact O-CB 3.42Å; T574-L578 WeakPolarHBondContact O-CG 3.46Å; T574-L578 PolarHBondContact O-N 3.41Å
575F96.7Very high90.7Very high12 Ų1254 Ų545%0.05329%0.288CS..Hα-helixtrans-63.5-40.1178.5-174.3-104.9000112.6L554 L555 F558 P571 Q572 V573 S579 P587 M593 P594L554-F575 HydrophobicContact CD1-CD2 4.25Å; L554-F575 HydrophobicContact CD1-CE2 3.98Å; L554-F575 HydrophobicContact CD2-CE2 4.15Å; L554-F575 HydrophobicContact CD2-CZ 4.07Å; L554-F575 HydrophobicContact CG-CE2 4.03Å; L554-F575 HydrophobicContact CG-CZ 4.45Å; L555-F575 HydrophobicContact CD2-CE2 4.43Å; F558-F575 HydrophobicContact CB-CD2 4.19Å; F558-F575 HydrophobicContact CD1-CD2 4.46Å; F558-F575 HydrophobicContact CD2-CB 3.76Å; F558-F575 AromaticContact CD2-CD2 3.86Å; F558-F575 HydrophobicContact CD2-CD2 3.86Å; F558-F575 HydrophobicContact CD2-CG 4.32Å; F558-F575 HydrophobicContact CE2-CB 3.76Å; F558-F575 HydrophobicContact CE2-CD2 4.41Å; F558-F575 AromaticContact CG-CD2 3.88Å; F558-F575 HydrophobicContact CG-CD2 3.88Å; P571-F575 WeakPolarHBondContact O-CB 3.44Å; P571-F575 PolarHBondContact O-N 3.26Å; Q572-F575 PolarHBondContact O-N 2.99Å; V573-F575 VanDerWaalsContact C-N 3.34Å; V573-F575 PolarHBondContact O-N 3.33Å; F575-S579 WeakPolarHBondContact O-CB 3.46Å; F575-S579 PolarHBondContact O-N 2.82Å; F575-S579 PolarHBondContact O-OG 3.3Å; F575-P587 HydrophobicContact CD1-CG 3.77Å; F575-P587 HydrophobicContact CE1-CB 4.36Å; F575-P587 HydrophobicContact CE1-CG 3.71Å; F575-M593 HydrophobicContact CE1-CB 4.3Å; F575-M593 HydrophobicContact CE1-CE 4.41Å; F575-M593 HydrophobicContact CE2-CE 3.48Å; F575-M593 VanDerWaalsContact CE2-CE 3.48Å; F575-M593 HydrophobicContact CZ-CB 4.3Å; F575-M593 HydrophobicContact CZ-CE 3.4Å; F575-M593 VanDerWaalsContact CZ-CE 3.4Å; F575-P594 HydrophobicContact CB-CG 4.01Å; F575-P594 HydrophobicContact CD1-CG 4.19Å; F575-P594 HydrophobicContact CD2-CG 3.55Å; F575-P594 HydrophobicContact CE2-CG 4.08Å; F575-P594 HydrophobicContact CG-CG 3.63Å
576T96.6Very high91.4Very high27 Ų2754 Ų5417%0.16628%0.281CS..Hα-helixtrans-64-46.1178.9-58.40000111Q572 V573 T574 S579 K580Q572-T576 PolarHBondContact NE2-OG1 2.77Å; Q572-T576 WeakPolarHBondContact O-CB 3.41Å; Q572-T576 PolarHBondContact O-N 3.08Å; Q572-T576 PolarHBondContact O-OG1 2.8Å; V573-T576 PolarHBondContact O-N 3.39Å; V573-T576 VanDerWaalsContact O-N 3.16Å; T574-T576 VanDerWaalsContact C-N 3.35Å; T574-T576 PolarHBondContact O-N 3.37Å; T576-S579 WeakPolarHBondContact O-CB 3.42Å; T576-S579 PolarHBondContact O-N 2.83Å; T576-K580 WeakPolarHBondContact O-CG 3.43Å; T576-K580 PolarHBondContact O-N 2.95Å
577N95.8Very high92.5Very high71 Ų7149.6 Ų49.638%0.3826%0.259SS..Hα-helixtrans-65.7-41.6179.3-73.5-17000112E568 V573 T574 S579 K580 K581E568-N577 PolarHBondContact OE1-ND2 3.35Å; V573-N577 WeakPolarHBondContact O-CB 3.34Å; V573-N577 PolarHBondContact O-N 2.95Å; T574-N577 PolarHBondContact O-N 3.14Å; N577-S579 VanDerWaalsContact C-N 3.32Å; N577-S579 PolarHBondContact O-N 2.84Å; N577-K580 PolarHBondContact O-N 2.84Å; N577-K581 PolarHBondContact O-N 2.84Å
578L96.4Very high93.6Very high26 Ų2646.8 Ų46.814%0.13625%0.249CC..Hα-helixtrans-65.4-35.9173.7-70.6172.6000112.2L554 F558 A561 T574 K581 W582L554-L578 VanDerWaalsContact CD1-C 3.46Å; L554-L578 HydrophobicContact CD1-CB 3.47Å; L554-L578 VanDerWaalsContact CD1-CB 3.47Å; F558-L578 VanDerWaalsContact CA-CD1 3.5Å; F558-L578 HydrophobicContact CB-CD1 3.89Å; F558-L578 HydrophobicContact CD2-CD1 4.37Å; A561-L578 HydrophobicContact CB-CD1 4.39Å; T574-L578 HydrophobicContact CG2-CD1 4.04Å; T574-L578 WeakPolarHBondContact O-CB 3.42Å; T574-L578 WeakPolarHBondContact O-CG 3.46Å; T574-L578 PolarHBondContact O-N 3.41Å; L578-K581 PolarHBondContact O-N 3.33Å; L578-W582 PolarHBondContact O-N 3.41Å
579S97Very high94.6Very high2 Ų248.1 Ų48.11%0.01427%0.265CS..Hα-helixtrans-63.3-45.3176.7-59.40000110.6L554 F575 T576 N577 K581 I583 G584 I585L554-S579 WeakPolarHBondContact CD2-OG 3.5Å; F575-S579 WeakPolarHBondContact O-CB 3.46Å; F575-S579 PolarHBondContact O-N 2.82Å; F575-S579 PolarHBondContact O-OG 3.3Å; T576-S579 WeakPolarHBondContact O-CB 3.42Å; T576-S579 PolarHBondContact O-N 2.83Å; N577-S579 VanDerWaalsContact C-N 3.32Å; N577-S579 PolarHBondContact O-N 2.84Å; S579-K581 PolarHBondContact O-N 3.5Å; S579-I583 WeakPolarHBondContact O-CG1 3.26Å; S579-I583 PolarHBondContact O-N 2.81Å; S579-G584 PolarHBondContact O-N 2.85Å; S579-G584 VanDerWaalsContact O-N 3.13Å; S579-I585 WeakPolarHBondContact CB-O 3.19Å
580K95.4Very high95.4Very high89 Ų8944.3 Ų44.339%0.38726%0.262SS..Hα-helixtrans-59.9-44.7173.4-64.9-176.6-153.4-1430112T576 N577 G584 E586T576-K580 WeakPolarHBondContact O-CG 3.43Å; T576-K580 PolarHBondContact O-N 2.95Å; N577-K580 PolarHBondContact O-N 2.84Å; K580-G584 WeakPolarHBondContact O-CA 3.47Å; K580-G584 PolarHBondContact O-N 3.47Å; K580-E586 HydrophobicContact CD-CG 4.15Å; K580-E586 VanDerWaalsContact CE-OE1 3.25Å; K580-E586 WeakPolarHBondContact CE-OE1 3.42Å; K580-E586 VanDerWaalsContact CE-OE2 3.24Å; K580-E586 WeakPolarHBondContact CE-OE2 3.4Å; K580-E586 HydrophobicContact CG-CG 3.82Å; K580-E586 IonicContact NZ-OE1 3.42Å; K580-E586 PolarHBondContact NZ-OE1 3.11Å; K580-E586 IonicContact NZ-OE2 3.86Å; K580-E586 PolarHBondContact NZ-OE2 3.49Å
581K95.4Very high95.8Very high103 Ų10341.6 Ų41.645%0.44825%0.248SC..Hα-helixtrans-59.5-52.1-179.7179.3-177174.5-173.80111.9N277 N577 L578 S579N277-K581 PolarHBondContact OD1-NZ 2.88Å; N577-K581 PolarHBondContact O-N 2.84Å; L578-K581 PolarHBondContact O-N 3.33Å; S579-K581 PolarHBondContact O-N 3.5Å
582W96.3Very high96Very high15 Ų1541.9 Ų41.96%0.05725%0.249CC..Hα-helixtrans-90.4-43.6-166.6-68.8124000113.9N277 S550 I553 L554 S557 L578N277-W582 WeakPolarHBondContact OD1-CH2 3.49Å; S550-W582 WeakPolarHBondContact CB-O 3.4Å; I553-W582 HydrophobicContact CG2-CD2 3.54Å; I553-W582 VanDerWaalsContact CG2-CE2 3.45Å; I553-W582 HydrophobicContact CG2-CE3 3.86Å; I553-W582 HydrophobicContact CG2-CG 4.04Å; I553-W582 HydrophobicContact CG2-CH2 4.12Å; I553-W582 HydrophobicContact CG2-CZ2 3.73Å; I553-W582 HydrophobicContact CG2-CZ3 4.17Å; L554-W582 HydrophobicContact CB-CB 4.19Å; S557-W582 PolarHBondContact OG-NE1 3.5Å; L578-W582 PolarHBondContact O-N 3.41Å
583I94.7Very high96.1Very high24 Ų2440.5 Ų40.512%0.12324%0.243CC..Hα-helixtrans-113.9-9.3-173.259.2169.9000113.5R551 L554 S579 I585R551-I583 HydrophobicContact CB-CG2 4.34Å; L554-I583 HydrophobicContact CD2-CD1 3.76Å; L554-I583 HydrophobicContact CD2-CG1 4.22Å; S579-I583 WeakPolarHBondContact O-CG1 3.26Å; S579-I583 PolarHBondContact O-N 2.81Å; I583-I585 HydrophobicContact CD1-CB 4.09Å; I583-I585 HydrophobicContact CG1-CB 4.24Å; I583-I585 PolarHBondContact O-N 3.21Å; I583-I585 VanDerWaalsContact O-N 3.09Å
584G93.6Very high96.3Very high55 Ų5538.1 Ų38.157%0.56723%0.228SC*.SBendtrans66.59.2-179.100000115S579 K580S579-G584 PolarHBondContact O-N 2.85Å; S579-G584 VanDerWaalsContact O-N 3.13Å; K580-G584 WeakPolarHBondContact O-CA 3.47Å; K580-G584 PolarHBondContact O-N 3.47Å
585I94.2Very high96.4Very high11 Ų1137.7 Ų37.76%0.05623%0.226CC..  trans-116.3124.9-178.7-59167.3000108.2L313 P315 T318 S579 I583L313-I585 HydrophobicContact CB-CD1 4.49Å; L313-I585 HydrophobicContact CD2-CD1 3.74Å; L313-I585 HydrophobicContact CG-CD1 4.2Å; P315-I585 HydrophobicContact CG-CG2 3.91Å; T318-I585 HydrophobicContact CG2-CD1 3.5Å; T318-I585 VanDerWaalsContact CG2-CD1 3.5Å; S579-I585 WeakPolarHBondContact CB-O 3.19Å; I583-I585 HydrophobicContact CD1-CB 4.09Å; I583-I585 HydrophobicContact CG1-CB 4.24Å; I583-I585 PolarHBondContact O-N 3.21Å; I583-I585 VanDerWaalsContact O-N 3.09Å
586E94.7Very high96.3Very high106 Ų10638 Ų3850%0.49523%0.229SC..PPolyproline II helixtrans-78.4142.5175.2-61.1-165-154.900110.9P315 K580P315-E586 VanDerWaalsContact CG-O 3.23Å; P315-E586 WeakPolarHBondContact CG-O 3.38Å; K580-E586 HydrophobicContact CD-CG 4.15Å; K580-E586 VanDerWaalsContact CE-OE1 3.25Å; K580-E586 WeakPolarHBondContact CE-OE1 3.42Å; K580-E586 VanDerWaalsContact CE-OE2 3.24Å; K580-E586 WeakPolarHBondContact CE-OE2 3.4Å; K580-E586 HydrophobicContact CG-CG 3.82Å; K580-E586 IonicContact NZ-OE1 3.42Å; K580-E586 PolarHBondContact NZ-OE1 3.11Å; K580-E586 IonicContact NZ-OE2 3.86Å; K580-E586 PolarHBondContact NZ-OE2 3.49Å
587P97.1Very high96.3Very high23 Ų2337.3 Ų37.315%0.14922%0.224CC..PPolyproline II helixtrans-57.8147.9170.6-21.533.3000111.4F575F575-P587 HydrophobicContact CD1-CG 3.77Å; F575-P587 HydrophobicContact CE1-CB 4.36Å; F575-P587 HydrophobicContact CE1-CG 3.71Å
588T97.7Very high96.2Very high8 Ų834.7 Ų34.75%0.04921%0.214CC..PPolyproline II helixtrans-58.2129.4176.4-60.60000109.9E222 W316 G590 T591E222-T588 WeakPolarHBondContact OE2-CB 3.42Å; E222-T588 PolarHBondContact OE2-OG1 3.1Å; W316-T588 HydrophobicContact CZ3-CG2 3.94Å; W316-T588 WeakPolarHBondContact CZ3-OG1 3.49Å; T588-G590 PolarHBondContact O-N 2.66Å; T588-T591 HydrophobicContact CG2-CG2 4.01Å; T588-T591 WeakPolarHBondContact O-CB 3.49Å; T588-T591 WeakPolarHBondContact O-CG2 3.45Å; T588-T591 PolarHBondContact O-N 2.82Å; T588-T591 PolarHBondContact O-OG1 3.13Å
589P96.4Very high96.1Very high121 Ų12136.2 Ų36.279%0.78622%0.22SC*.THydrogen-bonded Turntrans-54133.9-179.8-28.535.4000112.5T591P589-T591 VanDerWaalsContact C-N 3.3Å
590G96.1Very high96.1Very high72 Ų7236.1 Ų36.174%0.74222%0.22SC*.THydrogen-bonded Turntrans84.7-5.2-176.900000115.1I230 T588I230-G590 WeakPolarHBondContact CD1-O 3.31Å; T588-G590 PolarHBondContact O-N 2.66Å
591T98.2Very high96.1Very high4 Ų432.2 Ų32.23%0.02520%0.204CC..  trans-95153.1173.372.20000111.7T223 N226 Q572 T588 P589T223-T591 HydrophobicContact CG2-CG2 4.1Å; N226-T591 HydrophobicContact CB-CG2 4.13Å; Q572-T591 PolarHBondContact NE2-O 3.33Å; Q572-T591 PolarHBondContact OE1-O 2.85Å; Q572-T591 VanDerWaalsContact OE1-O 3.08Å; T588-T591 HydrophobicContact CG2-CG2 4.01Å; T588-T591 WeakPolarHBondContact O-CB 3.49Å; T588-T591 WeakPolarHBondContact O-CG2 3.45Å; T588-T591 PolarHBondContact O-N 2.82Å; T588-T591 PolarHBondContact O-OG1 3.13Å; P589-T591 VanDerWaalsContact C-N 3.3Å
592F98Very high95.8Very high5 Ų529.5 Ų29.52%0.02221%0.205CC..  trans-144.982.5174.4-175.7-140000109.4N226 I230 T234 L237 P571 Q572 P594 A595N226-F592 CarbonylContact O-C 3.52Å; N226-F592 PolarHBondContact O-N 3.16Å; I230-F592 HydrophobicContact CD1-CB 3.89Å; I230-F592 HydrophobicContact CG1-CB 4.05Å; T234-F592 HydrophobicContact CG2-CD1 4.22Å; T234-F592 HydrophobicContact CG2-CE1 3.91Å; T234-F592 WeakPolarHBondContact OG1-CD1 3.31Å; L237-F592 HydrophobicContact CD2-CE1 4.19Å; L237-F592 HydrophobicContact CD2-CZ 4.05Å; P571-F592 HydrophobicContact CB-CE2 4.48Å; P571-F592 HydrophobicContact CB-CZ 3.92Å; P571-F592 HydrophobicContact CG-CZ 3.88Å; Q572-F592 HydrophobicContact CB-CD2 4.17Å; Q572-F592 HydrophobicContact CB-CE2 4.18Å; F592-P594 VanDerWaalsContact C-CD 3.44Å; F592-P594 VanDerWaalsContact C-N 3.27Å; F592-P594 HydrophobicContact CD2-CB 4.06Å; F592-P594 VanDerWaalsContact CD2-CD 3.48Å; F592-P594 HydrophobicContact CD2-CG 3.83Å; F592-P594 HydrophobicContact CE1-CB 4.18Å; F592-P594 HydrophobicContact CE2-CB 3.51Å; F592-P594 HydrophobicContact CE2-CG 3.43Å; F592-P594 VanDerWaalsContact CE2-CG 3.43Å; F592-P594 HydrophobicContact CZ-CB 3.57Å; F592-P594 HydrophobicContact CZ-CG 4.04Å; F592-A595 HydrophobicContact CD1-CB 3.67Å; F592-A595 HydrophobicContact CE1-CB 4.22Å; F592-A595 HydrophobicContact CG-CB 4.42Å; F592-A595 WeakPolarHBondContact O-CB 3.15Å; F592-A595 PolarHBondContact O-N 2.91Å
593M97.3Very high95.4Very high18 Ų1830.4 Ų30.49%0.08922%0.219CC..G310 helixtrans-51.6-39.3-178.2-173.9-75.6-62.600113.5N226 L555 F575 A595 S596 F597N226-M593 HydrophobicContact CB-CB 4.38Å; N226-M593 VanDerWaalsContact OD1-CG 3.3Å; N226-M593 WeakPolarHBondContact OD1-CG 3.29Å; L555-M593 HydrophobicContact CD2-CE 3.16Å; L555-M593 HydrophobicContact CD2-SD 4.39Å; F575-M593 HydrophobicContact CE1-CB 4.3Å; F575-M593 HydrophobicContact CE1-CE 4.41Å; F575-M593 HydrophobicContact CE2-CE 3.48Å; F575-M593 VanDerWaalsContact CE2-CE 3.48Å; F575-M593 HydrophobicContact CZ-CB 4.3Å; F575-M593 HydrophobicContact CZ-CE 3.4Å; F575-M593 VanDerWaalsContact CZ-CE 3.4Å; M593-A595 PolarHBondContact O-N 3.37Å; M593-A595 VanDerWaalsContact O-N 3.15Å; M593-S596 CarbonylContact O-C 3.6Å; M593-S596 WeakPolarHBondContact O-CA 3.36Å; M593-S596 PolarHBondContact O-N 3.14Å; M593-S596 PolarHBondContact O-OG 3.43Å; M593-F597 PolarHBondContact O-N 2.87Å; M593-F597 HydrophobicContact SD-CB 4.13Å; M593-F597 HydrophobicContact SD-CG 4.44Å
594P98Very high95.3Very high0 Ų032.2 Ų32.20%023%0.225CC..G310 helixtrans-54.2-28.4174.2-30.736.4000116.7L237 F558 F575 F592 S596 F597 L600L237-P594 HydrophobicContact CD2-CB 4.31Å; F558-P594 HydrophobicContact CD1-CB 4.35Å; F558-P594 HydrophobicContact CD1-CG 4.13Å; F558-P594 HydrophobicContact CE1-CB 3.5Å; F558-P594 VanDerWaalsContact CE1-CB 3.5Å; F558-P594 HydrophobicContact CE1-CG 3.64Å; F558-P594 HydrophobicContact CE2-CG 4.17Å; F558-P594 HydrophobicContact CZ-CB 3.63Å; F558-P594 HydrophobicContact CZ-CG 3.64Å; F575-P594 HydrophobicContact CB-CG 4.01Å; F575-P594 HydrophobicContact CD1-CG 4.19Å; F575-P594 HydrophobicContact CD2-CG 3.55Å; F575-P594 HydrophobicContact CE2-CG 4.08Å; F575-P594 HydrophobicContact CG-CG 3.63Å; F592-P594 VanDerWaalsContact C-CD 3.44Å; F592-P594 VanDerWaalsContact C-N 3.27Å; F592-P594 HydrophobicContact CD2-CB 4.06Å; F592-P594 VanDerWaalsContact CD2-CD 3.48Å; F592-P594 HydrophobicContact CD2-CG 3.83Å; F592-P594 HydrophobicContact CE1-CB 4.18Å; F592-P594 HydrophobicContact CE2-CB 3.51Å; F592-P594 HydrophobicContact CE2-CG 3.43Å; F592-P594 VanDerWaalsContact CE2-CG 3.43Å; F592-P594 HydrophobicContact CZ-CB 3.57Å; F592-P594 HydrophobicContact CZ-CG 4.04Å; P594-S596 PolarHBondContact O-N 3.43Å; P594-F597 WeakPolarHBondContact O-CB 3.22Å; P594-F597 PolarHBondContact O-N 3.27Å; P594-L600 HydrophobicContact CB-CD1 4.45Å
595A98.1Very high95.4Very high0 Ų030 Ų300%020%0.2CC..G310 helixtrans-65.6-17.8172.200000113F159 I230 N233 F592 M593F159-A595 VanDerWaalsContact CZ-O 3.25Å; F159-A595 WeakPolarHBondContact CZ-O 3.44Å; I230-A595 HydrophobicContact CG1-CB 4.27Å; N233-A595 HydrophobicContact CB-CB 4.07Å; N233-A595 VanDerWaalsContact CB-O 3.25Å; N233-A595 WeakPolarHBondContact CB-O 2.92Å; N233-A595 PolarHBondContact ND2-O 3.3Å; F592-A595 HydrophobicContact CD1-CB 3.67Å; F592-A595 HydrophobicContact CE1-CB 4.22Å; F592-A595 HydrophobicContact CG-CB 4.42Å; F592-A595 WeakPolarHBondContact O-CB 3.15Å; F592-A595 PolarHBondContact O-N 2.91Å; M593-A595 PolarHBondContact O-N 3.37Å; M593-A595 VanDerWaalsContact O-N 3.15Å
596S96.2Very high95.6Very high18 Ų1829.5 Ų29.513%0.12620%0.198CC..G310 helixtrans-107.47173.273.20000114M593 P594 G598M593-S596 CarbonylContact O-C 3.6Å; M593-S596 WeakPolarHBondContact O-CA 3.36Å; M593-S596 PolarHBondContact O-N 3.14Å; M593-S596 PolarHBondContact O-OG 3.43Å; P594-S596 PolarHBondContact O-N 3.43Å; S596-G598 PolarHBondContact O-N 3.42Å
597F96.8Very high95.7Very high12 Ų1225.9 Ų25.95%0.05318%0.179CC..  trans-85.880.5-177.5-168.1-162.2000110.8L555 M593 P594 H599 L600 Y608L555-F597 HydrophobicContact CB-CE1 4.13Å; L555-F597 HydrophobicContact CB-CZ 3.91Å; L555-F597 HydrophobicContact CD1-CE2 4.34Å; L555-F597 HydrophobicContact CD1-CZ 4.15Å; L555-F597 HydrophobicContact CD2-CE1 4.24Å; L555-F597 HydrophobicContact CD2-CZ 4.29Å; L555-F597 HydrophobicContact CG-CZ 4.34Å; M593-F597 PolarHBondContact O-N 2.87Å; M593-F597 HydrophobicContact SD-CB 4.13Å; M593-F597 HydrophobicContact SD-CG 4.44Å; P594-F597 WeakPolarHBondContact O-CB 3.22Å; P594-F597 PolarHBondContact O-N 3.27Å; F597-H599 HydrophobicContact CD2-CB 4Å; F597-H599 AromaticContact CD2-ND1 3.71Å; F597-H599 HydrophobicContact CE2-CB 3.66Å; F597-H599 AromaticContact CE2-CG 3.67Å; F597-H599 AromaticContact CE2-ND1 3.37Å; F597-H599 WeakPolarHBondContact CE2-ND1 3.22Å; F597-H599 HydrophobicContact CZ-CB 4.07Å; F597-H599 PolarHBondContact O-N 2.87Å; F597-L600 HydrophobicContact CB-CD1 4.05Å; F597-L600 HydrophobicContact CB-CG 4.17Å; F597-L600 HydrophobicContact CD1-CD1 3.87Å; F597-L600 HydrophobicContact CD1-CD2 3.81Å; F597-L600 HydrophobicContact CD1-CG 3.65Å; F597-L600 HydrophobicContact CE1-CD2 4.02Å; F597-L600 HydrophobicContact CE1-CG 4.34Å; F597-L600 HydrophobicContact CG-CD1 4.32Å; F597-L600 HydrophobicContact CG-CG 4.06Å; F597-L600 WeakPolarHBondContact O-CG 3.47Å; F597-L600 PolarHBondContact O-N 3.09Å; F597-Y608 HydrophobicContact CE1-CG 4.49Å; F597-Y608 AromaticContact CE2-CD2 3.83Å; F597-Y608 HydrophobicContact CE2-CD2 3.83Å; F597-Y608 AromaticContact CE2-CE2 3.51Å; F597-Y608 HydrophobicContact CE2-CE2 3.51Å; F597-Y608 AromaticContact CE2-CZ 3.96Å; F597-Y608 AromaticContact CZ-CD1 3.99Å; F597-Y608 HydrophobicContact CZ-CD1 3.99Å; F597-Y608 AromaticContact CZ-CD2 3.41Å; F597-Y608 HydrophobicContact CZ-CD2 3.41Å; F597-Y608 VanDerWaalsContact CZ-CD2 3.41Å; F597-Y608 HydrophobicContact CZ-CE1 4.03Å; F597-Y608 AromaticContact CZ-CE2 3.46Å; F597-Y608 HydrophobicContact CZ-CE2 3.46Å; F597-Y608 VanDerWaalsContact CZ-CE2 3.46Å; F597-Y608 AromaticContact CZ-CG 3.67Å; F597-Y608 HydrophobicContact CZ-CG 3.67Å; F597-Y608 AromaticContact CZ-CZ 3.76Å
598G93.4Very high95.7Very high17 Ų1726 Ų2618%0.17518%0.177CC..G310 helixtrans-51.6-24.1-175.600000115.3Q160 S596 L600 A601 G602Q160-G598 PolarHBondContact NE2-O 3.38Å; S596-G598 PolarHBondContact O-N 3.42Å; G598-L600 VanDerWaalsContact C-N 3.25Å; G598-L600 PolarHBondContact O-N 3.4Å; G598-A601 CarbonylContact O-C 3.49Å; G598-A601 PolarHBondContact O-N 3.45Å; G598-G602 WeakPolarHBondContact O-CA 3.27Å; G598-G602 PolarHBondContact O-N 3.43Å
599H93.6Very high95.7Very high57 Ų5725.6 Ų25.626%0.26418%0.175SC..G310 helixtrans-60.5-33.6177.9-68.477.6000112.8F597 A601 G602 Y604 D605 Y608 Y611F597-H599 HydrophobicContact CD2-CB 4Å; F597-H599 AromaticContact CD2-ND1 3.71Å; F597-H599 HydrophobicContact CE2-CB 3.66Å; F597-H599 AromaticContact CE2-CG 3.67Å; F597-H599 AromaticContact CE2-ND1 3.37Å; F597-H599 WeakPolarHBondContact CE2-ND1 3.22Å; F597-H599 HydrophobicContact CZ-CB 4.07Å; F597-H599 PolarHBondContact O-N 2.87Å; H599-A601 PolarHBondContact O-N 3.43Å; H599-A601 VanDerWaalsContact O-N 3.16Å; H599-G602 PolarHBondContact O-N 3.48Å; H599-Y604 AromaticContact CD2-CG 3.94Å; H599-Y604 CarbonylContact O-C 3.48Å; H599-Y604 WeakPolarHBondContact O-CB 3.31Å; H599-Y604 PolarHBondContact O-N 3.2Å; H599-D605 PolarHBondContact O-N 2.98Å; H599-Y608 HydrophobicContact CB-CD2 3.88Å; H599-Y608 HydrophobicContact CB-CE2 4.29Å; H599-Y608 AromaticContact CD2-CD2 3.64Å; H599-Y608 AromaticContact CD2-CE2 3.57Å; H599-Y608 AromaticContact CE1-CE2 3.91Å; H599-Y608 AromaticContact CG-CD2 3.68Å; H599-Y608 AromaticContact CG-CE2 3.65Å; H599-Y608 AromaticContact ND1-CE2 3.86Å; H599-Y608 AromaticContact NE2-CE2 3.73Å; H599-Y611 AromaticContact NE2-CE2 3.9Å
600L96.7Very high95.7Very high1 Ų120 Ų201%0.00514%0.138CC..G310 helixtrans-65.4-20-179-55.2179.5000113.2L237 R244 F558 D559 I562 P594 F597 G598L237-L600 HydrophobicContact CD1-CB 4.37Å; L237-L600 HydrophobicContact CD1-CD1 3.88Å; L237-L600 HydrophobicContact CD2-CD1 4.24Å; R244-L600 PolarHBondContact NH1-O 3.49Å; R244-L600 PolarHBondContact NH2-O 3.4Å; F558-L600 HydrophobicContact CE1-CD1 3.88Å; D559-L600 HydrophobicContact CB-CD2 4.09Å; I562-L600 HydrophobicContact CD1-CD1 4.04Å; I562-L600 HydrophobicContact CD1-CD2 4.05Å; P594-L600 HydrophobicContact CB-CD1 4.45Å; F597-L600 HydrophobicContact CB-CD1 4.05Å; F597-L600 HydrophobicContact CB-CG 4.17Å; F597-L600 HydrophobicContact CD1-CD1 3.87Å; F597-L600 HydrophobicContact CD1-CD2 3.81Å; F597-L600 HydrophobicContact CD1-CG 3.65Å; F597-L600 HydrophobicContact CE1-CD2 4.02Å; F597-L600 HydrophobicContact CE1-CG 4.34Å; F597-L600 HydrophobicContact CG-CD1 4.32Å; F597-L600 HydrophobicContact CG-CG 4.06Å; F597-L600 WeakPolarHBondContact O-CG 3.47Å; F597-L600 PolarHBondContact O-N 3.09Å; G598-L600 VanDerWaalsContact C-N 3.25Å; G598-L600 PolarHBondContact O-N 3.4Å
601A95.7Very high95.4Very high7 Ų719.5 Ų19.56%0.05811%0.114CC..G310 helixtrans-128.211.8-178.900000112.5C156 F159 Q160 L240 G598 H599C156-A601 HydrophobicContact CB-CB 4.24Å; F159-A601 HydrophobicContact CB-CB 3.77Å; F159-A601 HydrophobicContact CD1-CB 3.61Å; F159-A601 HydrophobicContact CD2-CB 4.45Å; F159-A601 HydrophobicContact CE1-CB 4.29Å; F159-A601 HydrophobicContact CG-CB 3.7Å; Q160-A601 VanDerWaalsContact NE2-C 3.28Å; Q160-A601 PolarHBondContact NE2-O 2.88Å; L240-A601 HydrophobicContact CD1-CB 4.33Å; G598-A601 CarbonylContact O-C 3.49Å; G598-A601 PolarHBondContact O-N 3.45Å; H599-A601 PolarHBondContact O-N 3.43Å; H599-A601 VanDerWaalsContact O-N 3.16Å
602G88.6Confident95.3Very high45 Ų4519.6 Ų19.646%0.46412%0.115SC..THydrogen-bonded Turntrans-114.315.8-173.600000113.4G598 H599G598-G602 WeakPolarHBondContact O-CA 3.27Å; G598-G602 PolarHBondContact O-N 3.43Å; H599-G602 PolarHBondContact O-N 3.48Å
603G87.3Confident95.3Very high35 Ų3520.6 Ų20.636%0.36112%0.118SC..THydrogen-bonded Turntrans8223.1-175.500000114.4R607G603-R607 PolarHBondContact O-NH1 3.27Å; G603-R607 PolarHBondContact O-NH2 3.42Å
604Y92.6Very high95.3Very high62 Ų6219.7 Ų19.724%0.24311%0.114CC..  trans-120.412.2170.5-79-93.2000112.6T498 H599 A606 R607 Y608 Y611T498-Y604 HydrophobicContact CG2-CE1 4.13Å; H599-Y604 AromaticContact CD2-CG 3.94Å; H599-Y604 CarbonylContact O-C 3.48Å; H599-Y604 WeakPolarHBondContact O-CB 3.31Å; H599-Y604 PolarHBondContact O-N 3.2Å; Y604-A606 PolarHBondContact O-N 3.26Å; Y604-R607 CarbonylContact O-C 3.58Å; Y604-R607 WeakPolarHBondContact O-CA 3.4Å; Y604-R607 PolarHBondContact O-N 3.12Å; Y604-Y608 PolarHBondContact O-N 3.35Å; Y604-Y611 HydrophobicContact CD1-CE2 4.29Å; Y604-Y611 HydrophobicContact CE1-CE2 4.18Å; Y604-Y611 AromaticContact CE1-CZ 3.95Å
605D96.9Very high95.2Very high9 Ų921.2 Ų21.25%0.04812%0.121CC..THydrogen-bonded Turntrans-52.6126.9171.257.4-62.9000111.1R244 H256 H599 R607R244-D605 IonicContact NE-OD2 3.21Å; H256-D605 IonicContact CD2-OD2 2.8Å; H256-D605 IonicContact CE1-OD2 3.4Å; H256-D605 PolarHBondContact CE1-OD2 3.02Å; H256-D605 IonicContact NE2-OD2 2.73Å; H256-D605 PolarHBondContact NE2-OD2 3.08Å; H599-D605 PolarHBondContact O-N 2.98Å; D605-R607 PolarHBondContact O-N 2.79Å; D605-R607 VanDerWaalsContact O-N 3.16Å; D605-R607 PolarHBondContact O-NE 2.86Å; D605-R607 IonicContact OD1-CZ 3.54Å; D605-R607 IonicContact OD1-NH2 3.56Å; D605-R607 PolarHBondContact OD1-NH2 3.36Å
606A97.5Very high95.2Very high0 Ų021.3 Ų21.30%012%0.121CC..THydrogen-bonded Turntrans5717.9-17200000115.2A257 M260 D559 Q560 H563 Y604A257-A606 HydrophobicContact CB-CB 3.94Å; M260-A606 HydrophobicContact CB-CB 4.04Å; M260-A606 HydrophobicContact CG-CB 4.15Å; D559-A606 WeakPolarHBondContact OD1-CA 3.5Å; D559-A606 PolarHBondContact OD1-N 3.46Å; D559-A606 WeakPolarHBondContact OD2-CA 3.3Å; D559-A606 PolarHBondContact OD2-N 2.79Å; Q560-A606 PolarHBondContact NE2-O 2.83Å; H563-A606 HydrophobicContact CB-CB 3.88Å; H563-A606 PolarHBondContact ND1-N 2.95Å; Y604-A606 PolarHBondContact O-N 3.26Å
607R97.2Very high95.2Very high29 Ų2921.4 Ų21.411%0.10912%0.12CC..THydrogen-bonded Turntrans-129.44.3-174.3-70174.3-76.1168.8-11.6113.3M260 D559 G603 Y604 D605 Y609 S610M260-R607 VanDerWaalsContact CE-NE 3.29Å; D559-R607 PolarHBondContact OD2-N 3.29Å; G603-R607 PolarHBondContact O-NH1 3.27Å; G603-R607 PolarHBondContact O-NH2 3.42Å; Y604-R607 CarbonylContact O-C 3.58Å; Y604-R607 WeakPolarHBondContact O-CA 3.4Å; Y604-R607 PolarHBondContact O-N 3.12Å; D605-R607 PolarHBondContact O-N 2.79Å; D605-R607 VanDerWaalsContact O-N 3.16Å; D605-R607 PolarHBondContact O-NE 2.86Å; D605-R607 IonicContact OD1-CZ 3.54Å; D605-R607 IonicContact OD1-NH2 3.56Å; D605-R607 PolarHBondContact OD1-NH2 3.36Å; R607-Y609 PolarHBondContact O-N 3.29Å; R607-S610 WeakPolarHBondContact O-CB 3.5Å; R607-S610 PolarHBondContact O-N 3.41Å; R607-S610 PolarHBondContact O-OG 2.64Å
608Y97Very high95.3Very high25 Ų2521 Ų2110%0.09812%0.118CC..THydrogen-bonded Turntrans-62.9-27.6-178.2-164.8-97000113.4Q552 L555 A556 D559 F597 H599 Y604 S610 Y611Q552-Y608 PolarHBondContact OE1-OH 2.91Å; Q552-Y608 VanDerWaalsContact OE1-OH 3.13Å; L555-Y608 HydrophobicContact CB-CD1 3.6Å; L555-Y608 HydrophobicContact CB-CE1 3.31Å; L555-Y608 HydrophobicContact CD1-CE1 3.62Å; L555-Y608 VanDerWaalsContact CD1-OH 3.29Å; L555-Y608 WeakPolarHBondContact CD1-OH 3.29Å; L555-Y608 HydrophobicContact CG-CE1 4.1Å; A556-Y608 HydrophobicContact CB-CD1 4.2Å; D559-Y608 WeakPolarHBondContact OD2-CB 3.43Å; D559-Y608 PolarHBondContact OD2-N 2.81Å; F597-Y608 HydrophobicContact CE1-CG 4.49Å; F597-Y608 AromaticContact CE2-CD2 3.83Å; F597-Y608 HydrophobicContact CE2-CD2 3.83Å; F597-Y608 AromaticContact CE2-CE2 3.51Å; F597-Y608 HydrophobicContact CE2-CE2 3.51Å; F597-Y608 AromaticContact CE2-CZ 3.96Å; F597-Y608 AromaticContact CZ-CD1 3.99Å; F597-Y608 HydrophobicContact CZ-CD1 3.99Å; F597-Y608 AromaticContact CZ-CD2 3.41Å; F597-Y608 HydrophobicContact CZ-CD2 3.41Å; F597-Y608 VanDerWaalsContact CZ-CD2 3.41Å; F597-Y608 HydrophobicContact CZ-CE1 4.03Å; F597-Y608 AromaticContact CZ-CE2 3.46Å; F597-Y608 HydrophobicContact CZ-CE2 3.46Å; F597-Y608 VanDerWaalsContact CZ-CE2 3.46Å; F597-Y608 AromaticContact CZ-CG 3.67Å; F597-Y608 HydrophobicContact CZ-CG 3.67Å; F597-Y608 AromaticContact CZ-CZ 3.76Å; H599-Y608 HydrophobicContact CB-CD2 3.88Å; H599-Y608 HydrophobicContact CB-CE2 4.29Å; H599-Y608 AromaticContact CD2-CD2 3.64Å; H599-Y608 AromaticContact CD2-CE2 3.57Å; H599-Y608 AromaticContact CE1-CE2 3.91Å; H599-Y608 AromaticContact CG-CD2 3.68Å; H599-Y608 AromaticContact CG-CE2 3.65Å; H599-Y608 AromaticContact ND1-CE2 3.86Å; H599-Y608 AromaticContact NE2-CE2 3.73Å; Y604-Y608 PolarHBondContact O-N 3.35Å; Y608-S610 PolarHBondContact O-N 3.1Å; Y608-S610 VanDerWaalsContact O-N 3.09Å; Y608-Y611 HydrophobicContact CD2-CD2 4.14Å; Y608-Y611 HydrophobicContact CD2-CE2 4.06Å; Y608-Y611 AromaticContact CE2-CD2 3.98Å; Y608-Y611 HydrophobicContact CE2-CD2 3.98Å; Y608-Y611 AromaticContact CE2-CE2 3.87Å; Y608-Y611 HydrophobicContact CE2-CE2 3.87Å; Y608-Y611 PolarHBondContact O-N 2.69Å
609Y97.8Very high95.4Very high1 Ų120.5 Ų20.50%0.00411%0.112CC..THydrogen-bonded Turntrans-58.3-22.117482.9-78.3000113.5L261 A266 V272 D499 R607 Y611 L612 W613L261-Y609 HydrophobicContact CD2-CD1 4.39Å; L261-Y609 HydrophobicContact CD2-CE1 3.32Å; L261-Y609 WeakPolarHBondContact CD2-OH 3.4Å; A266-Y609 HydrophobicContact CB-CE2 3.71Å; A266-Y609 WeakPolarHBondContact CB-OH 3.42Å; V272-Y609 HydrophobicContact CB-CD2 4.47Å; V272-Y609 HydrophobicContact CB-CG 4.44Å; V272-Y609 HydrophobicContact CG1-CD1 3.86Å; V272-Y609 HydrophobicContact CG1-CD2 3.81Å; V272-Y609 HydrophobicContact CG1-CE2 4.49Å; V272-Y609 HydrophobicContact CG1-CG 3.46Å; V272-Y609 VanDerWaalsContact CG1-CG 3.46Å; V272-Y609 HydrophobicContact CG2-CD1 4.05Å; V272-Y609 HydrophobicContact CG2-CD2 3.93Å; V272-Y609 HydrophobicContact CG2-CE1 3.9Å; V272-Y609 HydrophobicContact CG2-CE2 3.75Å; V272-Y609 HydrophobicContact CG2-CG 4.08Å; D499-Y609 HydrophobicContact CB-CE2 4.07Å; D499-Y609 WeakPolarHBondContact CB-OH 3.26Å; D499-Y609 PolarHBondContact OD2-OH 3.04Å; R607-Y609 PolarHBondContact O-N 3.29Å; Y609-Y611 PolarHBondContact O-N 2.82Å; Y609-Y611 VanDerWaalsContact O-N 3.16Å; Y609-L612 PolarHBondContact O-N 3.17Å; Y609-L612 VanDerWaalsContact O-N 3.13Å; Y609-W613 HydrophobicContact CD2-CB 3.81Å; Y609-W613 HydrophobicContact CD2-CD2 4.23Å; Y609-W613 AromaticContact CD2-CE3 3.92Å; Y609-W613 HydrophobicContact CD2-CE3 3.92Å; Y609-W613 HydrophobicContact CD2-CG 4.23Å; Y609-W613 HydrophobicContact CE2-CB 3.95Å; Y609-W613 AromaticContact CE2-CD2 3.79Å; Y609-W613 HydrophobicContact CE2-CD2 3.79Å; Y609-W613 AromaticContact CE2-CE3 3.71Å; Y609-W613 HydrophobicContact CE2-CE3 3.71Å; Y609-W613 AromaticContact CE2-CG 3.92Å; Y609-W613 HydrophobicContact CE2-CG 3.92Å; Y609-W613 HydrophobicContact CE2-CZ3 4.47Å; Y609-W613 WeakPolarHBondContact O-CB 2.97Å; Y609-W613 PolarHBondContact O-N 3.15Å
610S95.8Very high95.6Very high2 Ų217.8 Ų17.81%0.01410%0.1CC..Hα-helixtrans-54.9-33.5-176.3-59.20000112.9R607 Y608 S614R607-S610 WeakPolarHBondContact O-CB 3.5Å; R607-S610 PolarHBondContact O-N 3.41Å; R607-S610 PolarHBondContact O-OG 2.64Å; Y608-S610 PolarHBondContact O-N 3.1Å; Y608-S610 VanDerWaalsContact O-N 3.09Å; S610-S614 VanDerWaalsContact O-CB 3.22Å; S610-S614 WeakPolarHBondContact O-CB 3.49Å; S610-S614 PolarHBondContact O-N 2.86Å; S610-S614 PolarHBondContact O-OG 2.92Å
611Y91.4Very high95.7Very high62 Ų6217.8 Ų17.824%0.24310%0.1CC..Hα-helixtrans-62.6-53.2176.9-69.8-65.9000111.6E502 Q506 H599 Y604 Y608 Y609 S614 E615E502-Y611 HydrophobicContact CG-CD1 4.2Å; E502-Y611 HydrophobicContact CG-CE1 4.28Å; Q506-Y611 PolarHBondContact NE2-O 3.19Å; Q506-Y611 PolarHBondContact OE1-O 3.28Å; H599-Y611 AromaticContact NE2-CE2 3.9Å; Y604-Y611 HydrophobicContact CD1-CE2 4.29Å; Y604-Y611 HydrophobicContact CE1-CE2 4.18Å; Y604-Y611 AromaticContact CE1-CZ 3.95Å; Y608-Y611 HydrophobicContact CD2-CD2 4.14Å; Y608-Y611 HydrophobicContact CD2-CE2 4.06Å; Y608-Y611 AromaticContact CE2-CD2 3.98Å; Y608-Y611 HydrophobicContact CE2-CD2 3.98Å; Y608-Y611 AromaticContact CE2-CE2 3.87Å; Y608-Y611 HydrophobicContact CE2-CE2 3.87Å; Y608-Y611 PolarHBondContact O-N 2.69Å; Y609-Y611 PolarHBondContact O-N 2.82Å; Y609-Y611 VanDerWaalsContact O-N 3.16Å; Y611-S614 PolarHBondContact O-N 3.36Å; Y611-E615 WeakPolarHBondContact O-CB 3.18Å; Y611-E615 PolarHBondContact O-N 3.48Å
612L96.4Very high95.8Very high6 Ų618 Ų183%0.03110%0.099CC..Hα-helixtrans-70.3-36.7180-178.757.3000111.6F275 L276 V279 Y549 I553 Y609 S614 E615 V616 F673F275-L612 HydrophobicContact CE1-CB 4.28Å; F275-L612 HydrophobicContact CE1-CD2 4.18Å; F275-L612 HydrophobicContact CE1-CG 3.96Å; F275-L612 HydrophobicContact CZ-CB 4.47Å; F275-L612 HydrophobicContact CZ-CD2 4.44Å; F275-L612 HydrophobicContact CZ-CG 3.9Å; L276-L612 HydrophobicContact CD2-CD2 4.33Å; V279-L612 HydrophobicContact CG1-CD2 4.17Å; Y549-L612 HydrophobicContact CD1-CD1 3.73Å; Y549-L612 HydrophobicContact CE1-CD1 4.07Å; I553-L612 HydrophobicContact CD1-CD2 4.25Å; I553-L612 HydrophobicContact CG1-CD2 3.58Å; Y609-L612 PolarHBondContact O-N 3.17Å; Y609-L612 VanDerWaalsContact O-N 3.13Å; L612-S614 VanDerWaalsContact C-N 3.34Å; L612-E615 PolarHBondContact O-N 2.88Å; L612-V616 HydrophobicContact CD1-CG2 4.4Å; L612-V616 VanDerWaalsContact O-CG2 3.32Å; L612-V616 WeakPolarHBondContact O-CG2 3.32Å; L612-V616 PolarHBondContact O-N 3.35Å; L612-F673 HydrophobicContact CD1-CE2 4.38Å; L612-F673 HydrophobicContact CD1-CZ 3.87Å
613W97.8Very high96.1Very high26 Ų2617.6 Ų17.610%0.0989%0.086CC..Hα-helixtrans-59.2-47.2174.9-177.1-77.5000111.4M265 A266 F275 D499 Y609 E615 V616 F617M265-W613 HydrophobicContact CB-CZ2 4.12Å; A266-W613 HydrophobicContact CB-CE3 4.3Å; A266-W613 HydrophobicContact CB-CH2 3.74Å; A266-W613 HydrophobicContact CB-CZ2 4.06Å; A266-W613 HydrophobicContact CB-CZ3 3.86Å; F275-W613 HydrophobicContact CB-CE3 4.09Å; F275-W613 HydrophobicContact CB-CZ3 3.83Å; F275-W613 AromaticContact CD1-CE3 3.82Å; F275-W613 HydrophobicContact CD1-CE3 3.82Å; F275-W613 HydrophobicContact CD1-CZ3 4.43Å; F275-W613 AromaticContact CD2-CE3 3.91Å; F275-W613 HydrophobicContact CD2-CE3 3.91Å; F275-W613 HydrophobicContact CD2-CZ3 4.15Å; F275-W613 HydrophobicContact CE1-CB 4.18Å; F275-W613 HydrophobicContact CE1-CE3 4.2Å; F275-W613 HydrophobicContact CE2-CE3 4.28Å; F275-W613 AromaticContact CG-CE3 3.66Å; F275-W613 HydrophobicContact CG-CE3 3.66Å; F275-W613 AromaticContact CG-CZ3 3.89Å; F275-W613 HydrophobicContact CG-CZ3 3.89Å; F275-W613 HydrophobicContact CZ-CB 4.22Å; F275-W613 HydrophobicContact CZ-CE3 4.42Å; D499-W613 HydrophobicContact CB-CG 4.33Å; Y609-W613 HydrophobicContact CD2-CB 3.81Å; Y609-W613 HydrophobicContact CD2-CD2 4.23Å; Y609-W613 AromaticContact CD2-CE3 3.92Å; Y609-W613 HydrophobicContact CD2-CE3 3.92Å; Y609-W613 HydrophobicContact CD2-CG 4.23Å; Y609-W613 HydrophobicContact CE2-CB 3.95Å; Y609-W613 AromaticContact CE2-CD2 3.79Å; Y609-W613 HydrophobicContact CE2-CD2 3.79Å; Y609-W613 AromaticContact CE2-CE3 3.71Å; Y609-W613 HydrophobicContact CE2-CE3 3.71Å; Y609-W613 AromaticContact CE2-CG 3.92Å; Y609-W613 HydrophobicContact CE2-CG 3.92Å; Y609-W613 HydrophobicContact CE2-CZ3 4.47Å; Y609-W613 WeakPolarHBondContact O-CB 2.97Å; Y609-W613 PolarHBondContact O-N 3.15Å; W613-E615 VanDerWaalsContact C-N 3.33Å; W613-E615 PolarHBondContact O-N 3.28Å; W613-V616 PolarHBondContact O-N 3.07Å; W613-F617 AromaticContact CD1-CD2 3.84Å; W613-F617 AromaticContact CD1-CE2 3.76Å; W613-F617 HydrophobicContact CD2-CE2 4.23Å; W613-F617 AromaticContact CE2-CE2 3.39Å; W613-F617 AromaticContact CE2-CZ 3.94Å; W613-F617 HydrophobicContact CG-CE2 4.44Å; W613-F617 AromaticContact CZ2-CE2 3.69Å; W613-F617 HydrophobicContact CZ2-CE2 3.69Å; W613-F617 AromaticContact CZ2-CZ 3.95Å; W613-F617 HydrophobicContact CZ2-CZ 3.95Å; W613-F617 AromaticContact NE1-CD2 3.59Å; W613-F617 AromaticContact NE1-CE2 3.12Å; W613-F617 PolarHBondContact O-N 3.08Å
614S96.9Very high96.5Very high0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-64.9-39.9177.8-63.70000111.9D499 C503 S610 Y611 L612 V616 F617 S618D499-S614 PolarHBondContact O-OG 3.32Å; D499-S614 VanDerWaalsContact O-OG 3.13Å; C503-S614 WeakPolarHBondContact SG-CA 3.11Å; C503-S614 PolarHBondContact SG-O 3.07Å; S610-S614 VanDerWaalsContact O-CB 3.22Å; S610-S614 WeakPolarHBondContact O-CB 3.49Å; S610-S614 PolarHBondContact O-N 2.86Å; S610-S614 PolarHBondContact O-OG 2.92Å; Y611-S614 PolarHBondContact O-N 3.36Å; L612-S614 VanDerWaalsContact C-N 3.34Å; S614-V616 VanDerWaalsContact C-N 3.33Å; S614-V616 PolarHBondContact O-N 2.83Å; S614-F617 PolarHBondContact O-N 3.13Å; S614-S618 VanDerWaalsContact O-CB 3.24Å; S614-S618 WeakPolarHBondContact O-CB 3.49Å; S614-S618 PolarHBondContact O-N 3.31Å; S614-S618 PolarHBondContact O-OG 3.19Å
615E95.6Very high96.7Very high32 Ų3217.2 Ų17.215%0.158%0.079CC..Hα-helixtrans-67.1-35.4-177.8-160.9174.2164.900112.5Q506 Y549 Y611 L612 W613 S618 A619 F673Q506-E615 VanDerWaalsContact OE1-CA 3.29Å; Y549-E615 WeakPolarHBondContact CE1-OE1 3.25Å; Y549-E615 WeakPolarHBondContact CE1-OE2 3.38Å; Y549-E615 PolarHBondContact OH-OE1 2.91Å; Y611-E615 WeakPolarHBondContact O-CB 3.18Å; Y611-E615 PolarHBondContact O-N 3.48Å; L612-E615 PolarHBondContact O-N 2.88Å; W613-E615 VanDerWaalsContact C-N 3.33Å; W613-E615 PolarHBondContact O-N 3.28Å; E615-S618 WeakPolarHBondContact CA-OG 3.38Å; E615-S618 PolarHBondContact O-OG 2.94Å; E615-A619 WeakPolarHBondContact O-CB 3.34Å; E615-A619 PolarHBondContact O-N 3.45Å; E615-F673 HydrophobicContact CG-CE2 4.22Å
616V97.2Very high96.7Very high1 Ų116.8 Ų16.81%0.0068%0.077CC..Hα-helixtrans-63.1-46.1174.9169.40000111F275 L612 W613 S614 D620 D670 F673F275-V616 HydrophobicContact CE2-CB 4.23Å; F275-V616 HydrophobicContact CE2-CG1 4.38Å; F275-V616 HydrophobicContact CE2-CG2 3.9Å; F275-V616 HydrophobicContact CZ-CB 4.41Å; F275-V616 HydrophobicContact CZ-CG2 3.87Å; L612-V616 HydrophobicContact CD1-CG2 4.4Å; L612-V616 VanDerWaalsContact O-CG2 3.32Å; L612-V616 WeakPolarHBondContact O-CG2 3.32Å; L612-V616 PolarHBondContact O-N 3.35Å; W613-V616 PolarHBondContact O-N 3.07Å; S614-V616 VanDerWaalsContact C-N 3.33Å; S614-V616 PolarHBondContact O-N 2.83Å; V616-D620 PolarHBondContact O-N 2.96Å; V616-D670 HydrophobicContact CG1-CB 3.72Å; V616-F673 HydrophobicContact CB-CB 4.46Å; V616-F673 HydrophobicContact CB-CG 4.44Å; V616-F673 HydrophobicContact CG1-CB 4.32Å; V616-F673 HydrophobicContact CG2-CB 4.25Å; V616-F673 HydrophobicContact CG2-CD1 3.9Å; V616-F673 HydrophobicContact CG2-CD2 4.01Å; V616-F673 HydrophobicContact CG2-CE1 4.21Å; V616-F673 HydrophobicContact CG2-CE2 4.32Å; V616-F673 HydrophobicContact CG2-CG 3.78Å; V616-F673 HydrophobicContact CG2-CZ 4.41Å
617F97.5Very high96.5Very high21 Ų2120.2 Ų20.29%0.0929%0.093CC..Hα-helixtrans-78-29.6-178.8-63.9-22.6000113.1M265 W613 S614 A619 D620 M621 L660 P668M265-F617 HydrophobicContact CE-CD2 3.92Å; M265-F617 HydrophobicContact CE-CE2 3.76Å; W613-F617 AromaticContact CD1-CD2 3.84Å; W613-F617 AromaticContact CD1-CE2 3.76Å; W613-F617 HydrophobicContact CD2-CE2 4.23Å; W613-F617 AromaticContact CE2-CE2 3.39Å; W613-F617 AromaticContact CE2-CZ 3.94Å; W613-F617 HydrophobicContact CG-CE2 4.44Å; W613-F617 AromaticContact CZ2-CE2 3.69Å; W613-F617 HydrophobicContact CZ2-CE2 3.69Å; W613-F617 AromaticContact CZ2-CZ 3.95Å; W613-F617 HydrophobicContact CZ2-CZ 3.95Å; W613-F617 AromaticContact NE1-CD2 3.59Å; W613-F617 AromaticContact NE1-CE2 3.12Å; W613-F617 PolarHBondContact O-N 3.08Å; S614-F617 PolarHBondContact O-N 3.13Å; F617-A619 VanDerWaalsContact C-N 3.33Å; F617-D620 PolarHBondContact O-N 2.92Å; F617-M621 VanDerWaalsContact O-CG 3.28Å; F617-M621 WeakPolarHBondContact O-CG 3.33Å; F617-M621 PolarHBondContact O-N 3.47Å; F617-L660 HydrophobicContact CB-CD1 4.23Å; F617-L660 HydrophobicContact CD2-CD1 3.95Å; F617-L660 HydrophobicContact CG-CD1 4.26Å; F617-P668 HydrophobicContact CD1-CB 3.75Å; F617-P668 HydrophobicContact CD1-CG 4.36Å; F617-P668 HydrophobicContact CE1-CB 3.92Å; F617-P668 HydrophobicContact CE1-CG 4.16Å; F617-P668 HydrophobicContact CE2-CG 4.42Å; F617-P668 HydrophobicContact CG-CB 4.15Å; F617-P668 HydrophobicContact CZ-CB 4.44Å; F617-P668 HydrophobicContact CZ-CG 4.2Å
618S97.6Very high96.2Very high3 Ų322.7 Ų22.72%0.02111%0.114CC..Hα-helixtrans-66.2-36.817382.30000111.7C503 Q506 S614 E615 M621 F622C503-S618 VanDerWaalsContact O-CB 3.24Å; C503-S618 WeakPolarHBondContact O-CB 3.42Å; Q506-S618 WeakPolarHBondContact CB-OG 3.46Å; S614-S618 VanDerWaalsContact O-CB 3.24Å; S614-S618 WeakPolarHBondContact O-CB 3.49Å; S614-S618 PolarHBondContact O-N 3.31Å; S614-S618 PolarHBondContact O-OG 3.19Å; E615-S618 WeakPolarHBondContact CA-OG 3.38Å; E615-S618 PolarHBondContact O-OG 2.94Å; S618-M621 PolarHBondContact O-N 2.91Å; S618-F622 PolarHBondContact O-N 3.2Å
619A96.9Very high96.1Very high6 Ų622.2 Ų22.25%0.0512%0.115CC..Hα-helixtrans-63.3-40.4171.700000111.8E615 F617 F622 E623 A672 F673E615-A619 WeakPolarHBondContact O-CB 3.34Å; E615-A619 PolarHBondContact O-N 3.45Å; F617-A619 VanDerWaalsContact C-N 3.33Å; A619-F622 PolarHBondContact O-N 3.35Å; A619-E623 VanDerWaalsContact O-CB 3.29Å; A619-E623 WeakPolarHBondContact O-CB 3.25Å; A619-E623 PolarHBondContact O-N 3.26Å; A619-A672 HydrophobicContact CB-CB 4.4Å; A619-A672 WeakPolarHBondContact O-CB 3.49Å; A619-F673 HydrophobicContact CB-CB 4.04Å; A619-F673 HydrophobicContact CB-CD2 4.34Å
620D97.9Very high95.8Very high1 Ų131.6 Ų31.61%0.00516%0.161CC..Hα-helixtrans-64.5-42.7175.8-165.313000112.1V616 F617 S624 R666 P668 N669 A672V616-D620 PolarHBondContact O-N 2.96Å; F617-D620 PolarHBondContact O-N 2.92Å; D620-S624 WeakPolarHBondContact O-CB 3.47Å; D620-S624 PolarHBondContact O-N 3.22Å; D620-S624 PolarHBondContact O-OG 3.04Å; D620-S624 VanDerWaalsContact O-OG 3.13Å; D620-S624 PolarHBondContact OD1-OG 3.37Å; D620-R666 IonicContact OD1-CZ 2.92Å; D620-R666 IonicContact OD1-NH1 2.73Å; D620-R666 IonicContact OD1-NH2 3.56Å; D620-R666 PolarHBondContact OD1-NH2 3.05Å; D620-R666 IonicContact OD2-CZ 3.61Å; D620-R666 IonicContact OD2-NH1 2.67Å; D620-R666 PolarHBondContact OD2-NH1 3.17Å; D620-R666 IonicContact OD2-NH2 2.72Å; D620-R666 PolarHBondContact OD2-NH2 2.93Å; D620-P668 WeakPolarHBondContact OD2-CA 3.45Å; D620-N669 PolarHBondContact OD2-N 3.32Å; D620-A672 HydrophobicContact CB-CB 4.29Å
621M98Very high95.6Very high0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-58.4-50.5173.4-68.9168.361.800111.8C503 M507 F617 S618 R625 Y643 I647 L660 F663 L664C503-M621 HydrophobicContact CB-SD 4.3Å; M507-M621 HydrophobicContact CG-CB 4.03Å; M507-M621 HydrophobicContact SD-CB 3.86Å; M507-M621 HydrophobicContact SD-CE 3.69Å; F617-M621 VanDerWaalsContact O-CG 3.28Å; F617-M621 WeakPolarHBondContact O-CG 3.33Å; F617-M621 PolarHBondContact O-N 3.47Å; S618-M621 PolarHBondContact O-N 2.91Å; M621-R625 WeakPolarHBondContact O-CB 3.25Å; M621-R625 PolarHBondContact O-N 2.58Å; M621-Y643 HydrophobicContact CE-CD2 4.14Å; M621-Y643 HydrophobicContact CE-CE2 3.94Å; M621-I647 HydrophobicContact CE-CD1 4.15Å; M621-I647 HydrophobicContact CE-CG1 3.88Å; M621-I647 HydrophobicContact CE-CG2 4.15Å; M621-L660 HydrophobicContact CG-CD2 3.69Å; M621-L660 HydrophobicContact SD-CD2 3.41Å; M621-L660 WeakPolarHBondContact SD-CD2 3.35Å; M621-F663 HydrophobicContact CB-CD1 4.35Å; M621-F663 HydrophobicContact CB-CE1 3.97Å; M621-F663 HydrophobicContact CE-CD1 4.35Å; M621-F663 HydrophobicContact CE-CE1 4.32Å; M621-F663 HydrophobicContact CG-CD1 4.06Å; M621-F663 HydrophobicContact CG-CE1 4.19Å; M621-L664 HydrophobicContact CG-CD2 4.43Å
622F97.5Very high95.4Very high11 Ų1134.6 Ų34.65%0.04819%0.193CC..Iπ-helixtrans-64.7-54.1-178.3-179.7-101.6000111.7M507 N510 W511 S618 A619 F626 Q627 C634M507-F622 HydrophobicContact CG-CB 3.95Å; N510-F622 HydrophobicContact CB-CB 4.33Å; N510-F622 HydrophobicContact CB-CD1 3.62Å; N510-F622 HydrophobicContact CB-CD2 3.46Å; N510-F622 VanDerWaalsContact CB-CD2 3.46Å; N510-F622 HydrophobicContact CB-CE1 3.68Å; N510-F622 HydrophobicContact CB-CE2 3.51Å; N510-F622 HydrophobicContact CB-CG 3.51Å; N510-F622 HydrophobicContact CB-CZ 3.62Å; W511-F622 HydrophobicContact CD2-CE2 4.44Å; W511-F622 HydrophobicContact CE3-CD2 4.06Å; W511-F622 AromaticContact CE3-CE2 3.7Å; W511-F622 HydrophobicContact CE3-CE2 3.7Å; W511-F622 HydrophobicContact CH2-CD2 4.34Å; W511-F622 HydrophobicContact CH2-CE2 4.22Å; W511-F622 AromaticContact CZ3-CD2 3.58Å; W511-F622 HydrophobicContact CZ3-CD2 3.58Å; W511-F622 AromaticContact CZ3-CE2 3.56Å; W511-F622 HydrophobicContact CZ3-CE2 3.56Å; S618-F622 PolarHBondContact O-N 3.2Å; A619-F622 PolarHBondContact O-N 3.35Å; F622-F626 HydrophobicContact CD2-CB 3.94Å; F622-F626 HydrophobicContact CE2-CB 4.14Å; F622-F626 CarbonylContact O-C 3.55Å; F622-F626 WeakPolarHBondContact O-CA 3.27Å; F622-F626 WeakPolarHBondContact O-CB 3.26Å; F622-F626 PolarHBondContact O-N 3.44Å; F622-Q627 HydrophobicContact CD1-CB 4.39Å; F622-Q627 HydrophobicContact CE1-CB 4.07Å; F622-Q627 PolarHBondContact O-N 3.09Å; F622-C634 HydrophobicContact CE2-CB 3.83Å; F622-C634 HydrophobicContact CZ-CB 3.92Å
623E95.6Very high95.2Very high38 Ų3834.9 Ų34.918%0.17820%0.198CC..Iπ-helixtrans-64.5-49.6-174.7-17668.9-177.200111.2A619 Q627 C628 A672 K675A619-E623 VanDerWaalsContact O-CB 3.29Å; A619-E623 WeakPolarHBondContact O-CB 3.25Å; A619-E623 PolarHBondContact O-N 3.26Å; E623-Q627 WeakPolarHBondContact OE2-CG 3.32Å; E623-C628 PolarHBondContact O-N 3.07Å; E623-C628 PolarHBondContact O-SG 2.88Å; E623-A672 HydrophobicContact CB-CB 3.6Å; E623-A672 HydrophobicContact CG-CB 4.03Å; E623-K675 WeakPolarHBondContact OE1-CE 3.45Å; E623-K675 IonicContact OE1-NZ 3.3Å; E623-K675 PolarHBondContact OE1-NZ 2.87Å
624S96Very high95Very high42 Ų4233.8 Ų33.829%0.29419%0.194SC..Iπ-helixtrans-73-32.9-171.4-64.20000113.4D620 R666D620-S624 WeakPolarHBondContact O-CB 3.47Å; D620-S624 PolarHBondContact O-N 3.22Å; D620-S624 PolarHBondContact O-OG 3.04Å; D620-S624 VanDerWaalsContact O-OG 3.13Å; D620-S624 PolarHBondContact OD1-OG 3.37Å; S624-R666 PolarHBondContact OG-NH2 3.19Å
625R97.1Very high95Very high46 Ų4635.8 Ų35.817%0.17420%0.204CC..Iπ-helixtrans-106.2-49.7-175.4-63.8-62.5-51-75.82.1112.5M621 V639 D642 F663 L664M621-R625 WeakPolarHBondContact O-CB 3.25Å; M621-R625 PolarHBondContact O-N 2.58Å; R625-V639 HydrophobicContact CB-CG1 3.7Å; R625-V639 WeakPolarHBondContact O-CG2 3.28Å; R625-D642 IonicContact CZ-OD2 3.55Å; R625-D642 IonicContact NH1-OD2 3.75Å; R625-D642 IonicContact NH2-OD2 3.53Å; R625-D642 PolarHBondContact NH2-OD2 2.87Å; R625-F663 HydrophobicContact CB-CE1 3.74Å; R625-F663 HydrophobicContact CB-CE2 4.48Å; R625-F663 HydrophobicContact CB-CZ 3.63Å; R625-F663 WeakPolarHBondContact CD-O 3.42Å; R625-F663 HydrophobicContact CG-CD1 3.93Å; R625-F663 HydrophobicContact CG-CE1 3.49Å; R625-F663 VanDerWaalsContact CG-CE1 3.49Å; R625-F663 HydrophobicContact CG-CE2 4.33Å; R625-F663 HydrophobicContact CG-CZ 3.71Å; R625-F663 PolarHBondContact NH1-O 3.31Å; R625-L664 HydrophobicContact CG-CD2 4.23Å
626F96.8Very high95Very high0 Ų034.2 Ų34.20%020%0.197CC..Iπ-helixtrans-84-55.8-175.1-76.9-74.4000112.3L357 M507 W511 F622 C628 A629 G633 C634 V639 Y643 F663L357-F626 HydrophobicContact CD1-CD1 4.33Å; L357-F626 HydrophobicContact CD1-CE1 3.56Å; L357-F626 HydrophobicContact CD1-CZ 4.28Å; L357-F626 HydrophobicContact CG-CE1 4.37Å; M507-F626 HydrophobicContact CE-CD2 4.38Å; M507-F626 HydrophobicContact CE-CE2 3.71Å; M507-F626 HydrophobicContact CE-CZ 4.39Å; M507-F626 HydrophobicContact SD-CD2 3.85Å; M507-F626 HydrophobicContact SD-CE2 3.53Å; M507-F626 VanDerWaalsContact SD-CE2 3.53Å; W511-F626 HydrophobicContact CH2-CB 4.31Å; W511-F626 AromaticContact CH2-CD1 3.59Å; W511-F626 HydrophobicContact CH2-CD1 3.59Å; W511-F626 AromaticContact CH2-CD2 3.98Å; W511-F626 HydrophobicContact CH2-CD2 3.98Å; W511-F626 AromaticContact CH2-CE1 3.82Å; W511-F626 HydrophobicContact CH2-CE1 3.82Å; W511-F626 HydrophobicContact CH2-CE2 4.16Å; W511-F626 AromaticContact CH2-CG 3.68Å; W511-F626 HydrophobicContact CH2-CG 3.68Å; W511-F626 HydrophobicContact CH2-CZ 4.07Å; W511-F626 HydrophobicContact CZ2-CD1 4.03Å; W511-F626 HydrophobicContact CZ2-CE1 4.23Å; W511-F626 HydrophobicContact CZ2-CG 4.49Å; W511-F626 HydrophobicContact CZ3-CD2 4.5Å; W511-F626 HydrophobicContact CZ3-CG 4.43Å; F622-F626 HydrophobicContact CD2-CB 3.94Å; F622-F626 HydrophobicContact CE2-CB 4.14Å; F622-F626 CarbonylContact O-C 3.55Å; F622-F626 WeakPolarHBondContact O-CA 3.27Å; F622-F626 WeakPolarHBondContact O-CB 3.26Å; F622-F626 PolarHBondContact O-N 3.44Å; F626-C628 PolarHBondContact O-N 3.44Å; F626-A629 VanDerWaalsContact O-CB 3.23Å; F626-A629 WeakPolarHBondContact O-CB 3.46Å; F626-A629 PolarHBondContact O-N 3.44Å; F626-G633 CarbonylContact O-C 3.53Å; F626-G633 VanDerWaalsContact O-CA 3.31Å; F626-G633 WeakPolarHBondContact O-CA 3.41Å; F626-C634 PolarHBondContact O-N 3.4Å; F626-V639 HydrophobicContact CD1-CB 4.03Å; F626-V639 HydrophobicContact CD1-CG1 3.64Å; F626-V639 HydrophobicContact CD2-CG1 4.03Å; F626-V639 HydrophobicContact CE1-CB 3.88Å; F626-V639 HydrophobicContact CE1-CG1 3.53Å; F626-V639 HydrophobicContact CE2-CG1 3.96Å; F626-V639 HydrophobicContact CG-CG1 3.89Å; F626-V639 HydrophobicContact CZ-CB 4.46Å; F626-V639 HydrophobicContact CZ-CG1 3.73Å; F626-Y643 HydrophobicContact CE2-CG 4.34Å; F626-Y643 HydrophobicContact CZ-CG 4.21Å; F626-F663 AromaticContact CE2-CZ 3.98Å; F626-F663 HydrophobicContact CE2-CZ 3.98Å
627Q93.2Very high94.9Very high72 Ų7240.1 Ų40.134%0.33622%0.223SC..Iπ-helixtrans-62.5-33.3-174.8-171.955.970.200112.6N514 F622 E623N514-Q627 PolarHBondContact ND2-OE1 3.05Å; F622-Q627 HydrophobicContact CD1-CB 4.39Å; F622-Q627 HydrophobicContact CE1-CB 4.07Å; F622-Q627 PolarHBondContact O-N 3.09Å; E623-Q627 WeakPolarHBondContact OE2-CG 3.32Å
628C91.1Very high94.9Very high82 Ų8242 Ų4255%0.55424%0.239SC*.THydrogen-bonded Turntrans-87.34.1177.4-64.40000114.3E623 F626 M630E623-C628 PolarHBondContact O-N 3.07Å; E623-C628 PolarHBondContact O-SG 2.88Å; F626-C628 PolarHBondContact O-N 3.44Å; C628-M630 PolarHBondContact O-N 2.96Å
629A94.3Very high94.9Very high15 Ų1542.3 Ų42.312%0.12424%0.24CC..  trans-68.4129.4-177.500000111.7F626 D631 G633 S636 V639F626-A629 VanDerWaalsContact O-CB 3.23Å; F626-A629 WeakPolarHBondContact O-CB 3.46Å; F626-A629 PolarHBondContact O-N 3.44Å; A629-D631 VanDerWaalsContact C-N 3.29Å; A629-D631 PolarHBondContact O-N 3.09Å; A629-G633 WeakPolarHBondContact O-CA 3.43Å; A629-G633 PolarHBondContact O-N 2.78Å; A629-S636 VanDerWaalsContact CB-CB 3.5Å; A629-V639 HydrophobicContact CB-CG2 3.89Å
630M90.9Very high94.9Very high197 Ų19742 Ų4297%0.9724%0.238SC*.THydrogen-bonded Turntrans-70.5-24.7180-67.8-68.1-151.600112.9C628 G632C628-M630 PolarHBondContact O-N 2.96Å; M630-G632 PolarHBondContact O-N 3.39Å
631D91.4Very high94.8Very high78 Ų7844.8 Ų44.842%0.41725%0.248SC..THydrogen-bonded Turntrans-97.753.6-176.665.9-35.5000112.3A629 S636 S638A629-D631 VanDerWaalsContact C-N 3.29Å; A629-D631 PolarHBondContact O-N 3.09Å; D631-S636 WeakPolarHBondContact O-CA 3.07Å; D631-S636 VanDerWaalsContact OD1-CB 3.22Å; D631-S636 WeakPolarHBondContact OD1-CB 3.45Å; D631-S636 PolarHBondContact OD1-OG 3Å; D631-S636 PolarHBondContact OD2-OG 3.41Å; D631-S638 VanDerWaalsContact CG-OG 3.29Å; D631-S638 PolarHBondContact OD1-OG 3.17Å; D631-S638 WeakPolarHBondContact OD2-CB 3.22Å; D631-S638 PolarHBondContact OD2-N 3.05Å; D631-S638 PolarHBondContact OD2-OG 3.02Å
632G86.9Confident94.8Very high49 Ų4947.7 Ų47.751%0.50526%0.264SS..THydrogen-bonded Turntrans100.518173.200000115.4M630 C634 L635M630-G632 PolarHBondContact O-N 3.39Å; G632-C634 PolarHBondContact O-N 2.74Å; G632-L635 PolarHBondContact O-N 3.39Å
633G93.4Very high94.8Very high13 Ų1347.1 Ų47.113%0.13426%0.261CS..G310 helixtrans57.8-128.1175.500000112F626 A629 L635 S636F626-G633 CarbonylContact O-C 3.53Å; F626-G633 VanDerWaalsContact O-CA 3.31Å; F626-G633 WeakPolarHBondContact O-CA 3.41Å; A629-G633 WeakPolarHBondContact O-CA 3.43Å; A629-G633 PolarHBondContact O-N 2.78Å; G633-L635 PolarHBondContact O-N 3.33Å; G633-S636 WeakPolarHBondContact O-CB 3.37Å; G633-S636 PolarHBondContact O-N 2.94Å
634C93.8Very high95Very high2 Ų246.5 Ų46.51%0.01426%0.258CS..G310 helixtrans-61.2-11.9178.4690000113.7W511 N514 F622 F626 G632W511-C634 HydrophobicContact CZ2-CB 4.33Å; W511-C634 WeakPolarHBondContact CZ2-O 3.27Å; W511-C634 PolarHBondContact NE1-O 2.73Å; N514-C634 PolarHBondContact OD1-SG 3.19Å; F622-C634 HydrophobicContact CE2-CB 3.83Å; F622-C634 HydrophobicContact CZ-CB 3.92Å; F626-C634 PolarHBondContact O-N 3.4Å; G632-C634 PolarHBondContact O-N 2.74Å
635L95.5Very high95.1Very high42 Ų4249 Ų4922%0.2227%0.265CS..G310 helixtrans-97.18.8175.9-56179.7000113.5L353 Q356 A520 G632 G633 K637L353-L635 HydrophobicContact CD2-CD2 3.64Å; Q356-L635 PolarHBondContact NE2-O 3.22Å; A520-L635 HydrophobicContact CB-CD1 3.89Å; A520-L635 HydrophobicContact CB-CD2 4.01Å; G632-L635 PolarHBondContact O-N 3.39Å; G633-L635 PolarHBondContact O-N 3.33Å; L635-K637 PolarHBondContact O-N 3.13Å
636S97.1Very high95.1Very high0 Ų049.2 Ų49.20%027%0.267CS..  trans-58.2118.2-179.5171.90000112.6A629 D631 G633 S638 V639 G640A629-S636 VanDerWaalsContact CB-CB 3.5Å; D631-S636 WeakPolarHBondContact O-CA 3.07Å; D631-S636 VanDerWaalsContact OD1-CB 3.22Å; D631-S636 WeakPolarHBondContact OD1-CB 3.45Å; D631-S636 PolarHBondContact OD1-OG 3Å; D631-S636 PolarHBondContact OD2-OG 3.41Å; G633-S636 WeakPolarHBondContact O-CB 3.37Å; G633-S636 PolarHBondContact O-N 2.94Å; S636-S638 PolarHBondContact OG-N 3.3Å; S636-S638 PolarHBondContact OG-OG 2.81Å; S636-V639 WeakPolarHBondContact OG-CG2 3.38Å; S636-V639 PolarHBondContact OG-N 3.34Å; S636-V639 VanDerWaalsContact OG-N 3.12Å; S636-G640 PolarHBondContact O-N 2.75Å
637K95.2Very high95.2Very high124 Ų12449.2 Ų49.254%0.53927%0.267SS..Hα-helixtrans-71.9-36.7175.3-58.1-172-167.4-170.50111.3Q356 L635 G640 R641Q356-K637 HydrophobicContact CG-CD 4.24Å; Q356-K637 HydrophobicContact CG-CG 3.97Å; L635-K637 PolarHBondContact O-N 3.13Å; K637-G640 PolarHBondContact O-N 3.42Å; K637-R641 WeakPolarHBondContact O-CG 3.2Å; K637-R641 PolarHBondContact O-N 3.38Å
638S96.1Very high95.5Very high61 Ų6145.8 Ų45.843%0.42725%0.251SS..Hα-helixtrans-65.2-45.7-179.163.40000111.1D631 S636 G640 R641 D642D631-S638 VanDerWaalsContact CG-OG 3.29Å; D631-S638 PolarHBondContact OD1-OG 3.17Å; D631-S638 WeakPolarHBondContact OD2-CB 3.22Å; D631-S638 PolarHBondContact OD2-N 3.05Å; D631-S638 PolarHBondContact OD2-OG 3.02Å; S636-S638 PolarHBondContact OG-N 3.3Å; S636-S638 PolarHBondContact OG-OG 2.81Å; S638-G640 VanDerWaalsContact C-N 3.35Å; S638-R641 PolarHBondContact O-N 3.23Å; S638-D642 PolarHBondContact O-N 2.8Å
639V97.6Very high95.8Very high10 Ų1046.2 Ų46.26%0.06124%0.241CC..Hα-helixtrans-68.6-36.5176.1-178.60000111.3R625 F626 A629 S636 R641 D642 Y643 F663R625-V639 HydrophobicContact CB-CG1 3.7Å; R625-V639 WeakPolarHBondContact O-CG2 3.28Å; F626-V639 HydrophobicContact CD1-CB 4.03Å; F626-V639 HydrophobicContact CD1-CG1 3.64Å; F626-V639 HydrophobicContact CD2-CG1 4.03Å; F626-V639 HydrophobicContact CE1-CB 3.88Å; F626-V639 HydrophobicContact CE1-CG1 3.53Å; F626-V639 HydrophobicContact CE2-CG1 3.96Å; F626-V639 HydrophobicContact CG-CG1 3.89Å; F626-V639 HydrophobicContact CZ-CB 4.46Å; F626-V639 HydrophobicContact CZ-CG1 3.73Å; A629-V639 HydrophobicContact CB-CG2 3.89Å; S636-V639 WeakPolarHBondContact OG-CG2 3.38Å; S636-V639 PolarHBondContact OG-N 3.34Å; S636-V639 VanDerWaalsContact OG-N 3.12Å; V639-R641 VanDerWaalsContact C-N 3.34Å; V639-R641 PolarHBondContact O-N 2.97Å; V639-D642 WeakPolarHBondContact O-CB 3.39Å; V639-D642 PolarHBondContact O-N 2.68Å; V639-Y643 WeakPolarHBondContact O-CB 3.31Å; V639-Y643 PolarHBondContact O-N 2.73Å; V639-F663 HydrophobicContact CG1-CE2 4.46Å; V639-F663 HydrophobicContact CG1-CZ 4.17Å
640G97.5Very high96Very high0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-61.3-38.717400000113.6L357 S636 K637 S638 Y643 R644L357-G640 CarbonylContact O-C 3.53Å; L357-G640 WeakPolarHBondContact O-CA 3.37Å; S636-G640 PolarHBondContact O-N 2.75Å; K637-G640 PolarHBondContact O-N 3.42Å; S638-G640 VanDerWaalsContact C-N 3.35Å; G640-Y643 PolarHBondContact O-N 2.98Å; G640-R644 PolarHBondContact O-N 3.07Å
641R96.5Very high96.3Very high58 Ų5836.6 Ų36.622%0.21919%0.191CC..Hα-helixtrans-64.2-45.7171.2-72.6-62.5-157.1-172.25112.1L357 L358 G359 D382 S383 E384 K637 S638 V639 Y643 R644 E645L357-R641 PolarHBondContact O-N 3.44Å; L358-R641 PolarHBondContact O-NH1 3.21Å; G359-R641 VanDerWaalsContact C-NH1 3.31Å; G359-R641 PolarHBondContact O-NH1 3.3Å; G359-R641 PolarHBondContact O-NH2 3.45Å; D382-R641 IonicContact OD2-NH1 3.73Å; S383-R641 PolarHBondContact OG-NH2 3.35Å; S383-R641 VanDerWaalsContact OG-NH2 3.14Å; E384-R641 VanDerWaalsContact CD-NH2 3.32Å; E384-R641 IonicContact OE1-CZ 2.96Å; E384-R641 IonicContact OE1-NE 3.64Å; E384-R641 IonicContact OE1-NH2 3.93Å; E384-R641 PolarHBondContact OE1-NH2 3.44Å; K637-R641 WeakPolarHBondContact O-CG 3.2Å; K637-R641 PolarHBondContact O-N 3.38Å; S638-R641 PolarHBondContact O-N 3.23Å; V639-R641 VanDerWaalsContact C-N 3.34Å; V639-R641 PolarHBondContact O-N 2.97Å; R641-Y643 VanDerWaalsContact C-N 3.31Å; R641-Y643 PolarHBondContact O-N 2.73Å; R641-R644 PolarHBondContact O-N 3.32Å; R641-E645 PolarHBondContact O-N 3.19Å
642D97.5Very high96.6Very high61 Ų6133 Ų3333%0.32617%0.173SC..Hα-helixtrans-60.5-41.1175.9-84.32.2000112R625 S638 V639 E645 K646 F663R625-D642 IonicContact CZ-OD2 3.55Å; R625-D642 IonicContact NH1-OD2 3.75Å; R625-D642 IonicContact NH2-OD2 3.53Å; R625-D642 PolarHBondContact NH2-OD2 2.87Å; S638-D642 PolarHBondContact O-N 2.8Å; V639-D642 WeakPolarHBondContact O-CB 3.39Å; V639-D642 PolarHBondContact O-N 2.68Å; D642-E645 PolarHBondContact O-N 2.98Å; D642-K646 VanDerWaalsContact O-CB 3.22Å; D642-K646 WeakPolarHBondContact O-CB 3.37Å; D642-K646 VanDerWaalsContact O-CG 3.3Å; D642-K646 WeakPolarHBondContact O-CG 3.45Å; D642-K646 PolarHBondContact O-N 3.31Å; D642-F663 HydrophobicContact CB-CD2 4.47Å; D642-F663 HydrophobicContact CB-CE2 4.16Å
643Y98.4Very high97.1Very high0 Ų031.9 Ų31.90%016%0.157CC..Hα-helixtrans-61.9-47.1176.2165.5-110.7000111.1L358 P504 M507 L508 M621 F626 V639 G640 R641 E645 I647 L648 F663L358-Y643 HydrophobicContact CD2-CD1 3.67Å; L358-Y643 HydrophobicContact CD2-CE1 3.97Å; P504-Y643 WeakPolarHBondContact CA-OH 3.48Å; P504-Y643 VanDerWaalsContact CB-OH 3.28Å; P504-Y643 WeakPolarHBondContact CB-OH 3.49Å; P504-Y643 PolarHBondContact O-OH 2.87Å; M507-Y643 HydrophobicContact CE-CD1 4.16Å; M507-Y643 HydrophobicContact CE-CD2 3.72Å; M507-Y643 HydrophobicContact CE-CE1 3.83Å; M507-Y643 HydrophobicContact CE-CE2 3.38Å; M507-Y643 HydrophobicContact CE-CG 4.09Å; M507-Y643 VanDerWaalsContact CE-CZ 3.41Å; M507-Y643 HydrophobicContact SD-CD2 4.07Å; M507-Y643 HydrophobicContact SD-CE2 3.99Å; L508-Y643 HydrophobicContact CD1-CE1 4.34Å; L508-Y643 WeakPolarHBondContact CD1-OH 3.18Å; M621-Y643 HydrophobicContact CE-CD2 4.14Å; M621-Y643 HydrophobicContact CE-CE2 3.94Å; F626-Y643 HydrophobicContact CE2-CG 4.34Å; F626-Y643 HydrophobicContact CZ-CG 4.21Å; V639-Y643 WeakPolarHBondContact O-CB 3.31Å; V639-Y643 PolarHBondContact O-N 2.73Å; G640-Y643 PolarHBondContact O-N 2.98Å; R641-Y643 VanDerWaalsContact C-N 3.31Å; R641-Y643 PolarHBondContact O-N 2.73Å; Y643-E645 VanDerWaalsContact C-N 3.33Å; Y643-E645 PolarHBondContact O-N 3.49Å; Y643-I647 HydrophobicContact CD2-CB 3.75Å; Y643-I647 HydrophobicContact CD2-CG1 3.81Å; Y643-I647 HydrophobicContact CD2-CG2 4.17Å; Y643-I647 HydrophobicContact CE2-CB 3.84Å; Y643-I647 HydrophobicContact CE2-CG1 4.23Å; Y643-I647 HydrophobicContact CE2-CG2 3.74Å; Y643-I647 WeakPolarHBondContact O-CB 3.34Å; Y643-I647 PolarHBondContact O-N 2.91Å; Y643-L648 HydrophobicContact CD1-CD1 4.22Å; Y643-L648 HydrophobicContact CD1-CG 4.36Å; Y643-L648 HydrophobicContact CE1-CD1 3.67Å; Y643-L648 HydrophobicContact CE1-CD2 4.04Å; Y643-L648 HydrophobicContact CE1-CG 3.88Å; Y643-L648 HydrophobicContact CE2-CD2 4.15Å; Y643-L648 HydrophobicContact CE2-CG 4.42Å; Y643-L648 PolarHBondContact O-N 3.37Å; Y643-L648 WeakPolarHBondContact OH-CD2 3.44Å; Y643-F663 VanDerWaalsContact CA-CE2 3.47Å
644R98.2Very high97.3Very high25 Ų2535.7 Ų35.79%0.09417%0.17CC..Iπ-helixtrans-56.9-46.8174.9-179.8177.2165.9-156.9-14.1111.6L358 G359 L360 D382 C483 G640 R641 L648 R649L358-R644 HydrophobicContact CD2-CB 4.18Å; L358-R644 VanDerWaalsContact O-CD 3.23Å; L358-R644 WeakPolarHBondContact O-CD 3.33Å; L358-R644 PolarHBondContact O-NH1 3.46Å; G359-R644 PolarHBondContact O-NH1 2.91Å; L360-R644 VanDerWaalsContact CD2-NH1 3.33Å; D382-R644 IonicContact OD2-CZ 2.99Å; D382-R644 VanDerWaalsContact OD2-CZ 3.24Å; D382-R644 IonicContact OD2-NH1 2.93Å; D382-R644 PolarHBondContact OD2-NH1 3.48Å; D382-R644 IonicContact OD2-NH2 3.42Å; D382-R644 PolarHBondContact OD2-NH2 3.03Å; C483-R644 HydrophobicContact CB-CG 4.1Å; G640-R644 PolarHBondContact O-N 3.07Å; R641-R644 PolarHBondContact O-N 3.32Å; R644-L648 PolarHBondContact O-N 3.14Å; R644-R649 WeakPolarHBondContact O-CB 3.36Å; R644-R649 PolarHBondContact O-N 3.15Å
645E97.8Very high97.5Very high95 Ų9537.8 Ų37.844%0.44418%0.181SC..Iπ-helixtrans-74.4-38.3-175-173.361.5-154.100113.1R641 D642 Y643 R649R641-E645 PolarHBondContact O-N 3.19Å; D642-E645 PolarHBondContact O-N 2.98Å; Y643-E645 VanDerWaalsContact C-N 3.33Å; Y643-E645 PolarHBondContact O-N 3.49Å; E645-R649 WeakPolarHBondContact O-CB 3.48Å; E645-R649 WeakPolarHBondContact OE1-CD 3.22Å; E645-R649 IonicContact OE1-CZ 3.74Å; E645-R649 IonicContact OE1-NE 3.54Å; E645-R649 IonicContact OE1-NH1 3.72Å; E645-R649 WeakPolarHBondContact OE2-CD 3.18Å; E645-R649 IonicContact OE2-CZ 3.49Å; E645-R649 IonicContact OE2-NE 3.39Å; E645-R649 IonicContact OE2-NH1 2.7Å; E645-R649 PolarHBondContact OE2-NH1 3.4Å
646K98.4Very high97.6Very high50 Ų5035.8 Ų35.822%0.21717%0.171CC..Iπ-helixtrans-96.1-27.4-170.6-61.7-177.4174.1-148.70114.2D642 D662 F663D642-K646 VanDerWaalsContact O-CB 3.22Å; D642-K646 WeakPolarHBondContact O-CB 3.37Å; D642-K646 VanDerWaalsContact O-CG 3.3Å; D642-K646 WeakPolarHBondContact O-CG 3.45Å; D642-K646 PolarHBondContact O-N 3.31Å; K646-D662 WeakPolarHBondContact CE-OD1 3.41Å; K646-D662 PolarHBondContact NZ-O 3.45Å; K646-D662 IonicContact NZ-OD1 3.67Å; K646-D662 PolarHBondContact NZ-OD1 3.49Å; K646-F663 HydrophobicContact CB-CB 4.24Å; K646-F663 HydrophobicContact CB-CD2 4.27Å; K646-F663 HydrophobicContact CD-CB 4.44Å; K646-F663 HydrophobicContact CD-CD2 4.3Å
647I98.6Very high97.6Very high0 Ų037.6 Ų37.60%018%0.182CC..Iπ-helixtrans-108.6-49.5-177.4-57.4-61000111.5F500 P504 M621 Y643 M659 F663F500-I647 HydrophobicContact CE1-CG2 4.33Å; F500-I647 HydrophobicContact CZ-CD1 4.37Å; F500-I647 HydrophobicContact CZ-CG2 3.92Å; P504-I647 HydrophobicContact CG-CG2 3.96Å; M621-I647 HydrophobicContact CE-CD1 4.15Å; M621-I647 HydrophobicContact CE-CG1 3.88Å; M621-I647 HydrophobicContact CE-CG2 4.15Å; Y643-I647 HydrophobicContact CD2-CB 3.75Å; Y643-I647 HydrophobicContact CD2-CG1 3.81Å; Y643-I647 HydrophobicContact CD2-CG2 4.17Å; Y643-I647 HydrophobicContact CE2-CB 3.84Å; Y643-I647 HydrophobicContact CE2-CG1 4.23Å; Y643-I647 HydrophobicContact CE2-CG2 3.74Å; Y643-I647 WeakPolarHBondContact O-CB 3.34Å; Y643-I647 PolarHBondContact O-N 2.91Å; I647-M659 HydrophobicContact CD1-CB 4.1Å; I647-F663 HydrophobicContact CD1-CB 3.67Å; I647-F663 HydrophobicContact CD1-CD1 4.39Å; I647-F663 HydrophobicContact CD1-CG 4.05Å; I647-F663 HydrophobicContact CG1-CB 4.04Å; I647-F663 HydrophobicContact CG1-CD1 4.27Å; I647-F663 HydrophobicContact CG1-CD2 4.21Å; I647-F663 HydrophobicContact CG1-CG 3.92Å
648L98.6Very high97.7Very high0 Ų035.8 Ų35.80%018%0.178CC..Iπ-helixtrans-82.9-46.8-173.3-54-174000112.9L358 M479 H480 C483 S484 P504 Y643 R644 P650 G651L358-L648 HydrophobicContact CD1-CD1 4.23Å; L358-L648 HydrophobicContact CD2-CD1 4.3Å; M479-L648 HydrophobicContact CB-CD1 4.4Å; H480-L648 HydrophobicContact CB-CD2 3.89Å; C483-L648 HydrophobicContact CB-CB 3.8Å; C483-L648 HydrophobicContact CB-CD1 3.98Å; S484-L648 WeakPolarHBondContact CA-O 3.4Å; P504-L648 HydrophobicContact CB-CD2 4.19Å; Y643-L648 HydrophobicContact CD1-CD1 4.22Å; Y643-L648 HydrophobicContact CD1-CG 4.36Å; Y643-L648 HydrophobicContact CE1-CD1 3.67Å; Y643-L648 HydrophobicContact CE1-CD2 4.04Å; Y643-L648 HydrophobicContact CE1-CG 3.88Å; Y643-L648 HydrophobicContact CE2-CD2 4.15Å; Y643-L648 HydrophobicContact CE2-CG 4.42Å; Y643-L648 PolarHBondContact O-N 3.37Å; Y643-L648 WeakPolarHBondContact OH-CD2 3.44Å; R644-L648 PolarHBondContact O-N 3.14Å; L648-P650 VanDerWaalsContact C-CD 3.47Å; L648-G651 PolarHBondContact O-N 2.97Å
649R98.1Very high97.9Very high90 Ų9033 Ų3334%0.3416%0.158SC..THydrogen-bonded Turntrans-57.5-41.7-174.1-173.4-175.4-173.8127.85.4113.8C483 H485 R644 E645 G651C483-R649 WeakPolarHBondContact O-CA 3.33Å; H485-R649 HydrophobicContact CB-CG 3.69Å; H485-R649 PolarHBondContact N-O 2.66Å; R644-R649 WeakPolarHBondContact O-CB 3.36Å; R644-R649 PolarHBondContact O-N 3.15Å; E645-R649 WeakPolarHBondContact O-CB 3.48Å; E645-R649 WeakPolarHBondContact OE1-CD 3.22Å; E645-R649 IonicContact OE1-CZ 3.74Å; E645-R649 IonicContact OE1-NE 3.54Å; E645-R649 IonicContact OE1-NH1 3.72Å; E645-R649 WeakPolarHBondContact OE2-CD 3.18Å; E645-R649 IonicContact OE2-CZ 3.49Å; E645-R649 IonicContact OE2-NE 3.39Å; E645-R649 IonicContact OE2-NH1 2.7Å; E645-R649 PolarHBondContact OE2-NH1 3.4Å; R649-G651 PolarHBondContact O-N 3.44Å
650P98.1Very high97.9Very high10 Ų1032.5 Ų32.57%0.06516%0.155CC..THydrogen-bonded Turntrans-68-22.1-177.3-2033.7000113.6T486 L648 G652 S653 K654 M659T486-P650 VanDerWaalsContact CG2-O 3.28Å; T486-P650 WeakPolarHBondContact CG2-O 3.3Å; L648-P650 VanDerWaalsContact C-CD 3.47Å; P650-G652 PolarHBondContact O-N 3.45Å; P650-S653 WeakPolarHBondContact O-CB 3.19Å; P650-S653 PolarHBondContact O-N 3.45Å; P650-S653 PolarHBondContact O-OG 3.24Å; P650-K654 HydrophobicContact CB-CB 4.33Å; P650-K654 HydrophobicContact CB-CD 4.16Å; P650-K654 HydrophobicContact CB-CG 4.2Å; P650-K654 HydrophobicContact CG-CD 4.3Å; P650-M659 HydrophobicContact CB-CG 4.48Å; P650-M659 HydrophobicContact CB-SD 3.69Å; P650-M659 HydrophobicContact CG-CG 4.38Å; P650-M659 HydrophobicContact CG-SD 3.86Å
651G97.8Very high97.9Very high0 Ų035.6 Ų35.60%017%0.169CC..G310 helixtrans48.8-135.9-165.900000110.7V496 L648 R649 S653 M659V496-G651 VanDerWaalsContact CG1-C 3.49Å; V496-G651 WeakPolarHBondContact CG1-O 3.5Å; L648-G651 PolarHBondContact O-N 2.97Å; R649-G651 PolarHBondContact O-N 3.44Å; G651-S653 VanDerWaalsContact C-N 3.28Å; G651-S653 PolarHBondContact O-N 3.41Å; G651-M659 WeakPolarHBondContact O-CE 2.92Å
652G98Very high98Very high2 Ų236.1 Ų36.12%0.02118%0.176CC..G310 helixtrans-79.13.8175.100000116.3R121 F491 A495 P650 K654R121-G652 PolarHBondContact NE-O 3.49Å; R121-G652 PolarHBondContact NH2-O 3.49Å; F491-G652 WeakPolarHBondContact CD1-O 3.22Å; F491-G652 PolarHBondContact O-N 3.15Å; A495-G652 VanDerWaalsContact O-CA 3.27Å; A495-G652 WeakPolarHBondContact O-CA 3.48Å; P650-G652 PolarHBondContact O-N 3.45Å; G652-K654 PolarHBondContact O-N 3.03Å
653S97.6Very high98.1Very high26 Ų2633.3 Ų33.318%0.18216%0.161CC..G310 helixtrans-72.4-14.8-174.269.90000113.4R121 P650 G651R121-S653 WeakPolarHBondContact CD-O 3.43Å; P650-S653 WeakPolarHBondContact O-CB 3.19Å; P650-S653 PolarHBondContact O-N 3.45Å; P650-S653 PolarHBondContact O-OG 3.24Å; G651-S653 VanDerWaalsContact C-N 3.28Å; G651-S653 PolarHBondContact O-N 3.41Å
654K97.5Very high98Very high93 Ų9334.2 Ų34.240%0.40417%0.165SC..SBendtrans-122.9156.3172.6-68.3-176.1178.8179.50109.7P650 G652 M659P650-K654 HydrophobicContact CB-CB 4.33Å; P650-K654 HydrophobicContact CB-CD 4.16Å; P650-K654 HydrophobicContact CB-CG 4.2Å; P650-K654 HydrophobicContact CG-CD 4.3Å; G652-K654 PolarHBondContact O-N 3.03Å; K654-M659 HydrophobicContact CB-CG 3.8Å; K654-M659 HydrophobicContact CB-SD 4.34Å; K654-M659 HydrophobicContact CD-CG 4.4Å
655D97.5Very high98Very high47 Ų4736.5 Ų36.525%0.25120%0.197SC..  trans-68.3138.5169.1-77-3.9000109.3R121 E497 T657 D658 M659R121-D655 IonicContact CZ-OD1 3.52Å; R121-D655 IonicContact NH1-OD1 2.67Å; R121-D655 PolarHBondContact NH1-OD1 3.37Å; R121-D655 IonicContact NH2-OD1 3.52Å; R121-D655 PolarHBondContact NH2-OD1 3.21Å; E497-D655 WeakPolarHBondContact OE1-CA 3.27Å; D655-T657 PolarHBondContact O-N 2.57Å; D655-T657 VanDerWaalsContact O-N 3.16Å; D655-D658 WeakPolarHBondContact O-CB 3.19Å; D655-D658 PolarHBondContact O-N 3.03Å; D655-M659 PolarHBondContact O-N 2.85Å; D655-M659 VanDerWaalsContact O-N 3.08Å
656A98Very high98Very high0 Ų036.3 Ų36.30%019%0.192CC..Hα-helixtrans-55.8-33.8179.300000113.9M265 E497 F500 D658 M659 L660M265-A656 HydrophobicContact CE-CB 4.22Å; M265-A656 HydrophobicContact CG-CB 3.69Å; M265-A656 HydrophobicContact SD-CB 3.53Å; M265-A656 VanDerWaalsContact SD-CB 3.53Å; E497-A656 PolarHBondContact OE1-N 3.34Å; E497-A656 VanDerWaalsContact OE2-CB 3.31Å; E497-A656 WeakPolarHBondContact OE2-CB 3.38Å; E497-A656 PolarHBondContact OE2-N 2.75Å; F500-A656 HydrophobicContact CB-CB 3.49Å; F500-A656 VanDerWaalsContact CB-CB 3.49Å; F500-A656 HydrophobicContact CD1-CB 3.58Å; F500-A656 HydrophobicContact CD2-CB 3.58Å; F500-A656 HydrophobicContact CE1-CB 4.18Å; F500-A656 HydrophobicContact CE2-CB 4.18Å; F500-A656 HydrophobicContact CG-CB 3.23Å; F500-A656 HydrophobicContact CZ-CB 4.44Å; A656-D658 VanDerWaalsContact C-N 3.3Å; A656-D658 PolarHBondContact O-N 3.34Å; A656-M659 HydrophobicContact CB-CE 4.2Å; A656-M659 PolarHBondContact O-N 2.84Å; A656-L660 WeakPolarHBondContact O-CB 3.48Å; A656-L660 WeakPolarHBondContact O-CG 3.43Å; A656-L660 PolarHBondContact O-N 3.3Å
657T97.3Very high98Very high38 Ų3838.9 Ų38.923%0.23321%0.205CC..Hα-helixtrans-64.2-35.3176.3-58.50000112M265 D655 K661M265-T657 WeakPolarHBondContact CE-OG1 3.23Å; D655-T657 PolarHBondContact O-N 2.57Å; D655-T657 VanDerWaalsContact O-N 3.16Å; T657-K661 WeakPolarHBondContact O-CE 3.45Å; T657-K661 WeakPolarHBondContact O-CG 3.27Å; T657-K661 PolarHBondContact O-N 2.79Å; T657-K661 VanDerWaalsContact O-N 3.07Å
658D97.9Very high97.9Very high86 Ų8640 Ų4046%0.4621%0.212SC..Hα-helixtrans-75.8-37.7176.2-65.5-26.5000111.4D655 A656 K661 D662D655-D658 WeakPolarHBondContact O-CB 3.19Å; D655-D658 PolarHBondContact O-N 3.03Å; A656-D658 VanDerWaalsContact C-N 3.3Å; A656-D658 PolarHBondContact O-N 3.34Å; D658-K661 PolarHBondContact O-N 2.89Å; D658-D662 WeakPolarHBondContact O-CB 3.35Å; D658-D662 PolarHBondContact O-N 3.24Å
659M98.5Very high97.8Very high1 Ų142 Ų421%0.00522%0.223CC..Hα-helixtrans-60.5-45.4173.2-66-166.5-76.800111.5V496 F500 I647 P650 G651 K654 D655 A656 D662 F663V496-M659 HydrophobicContact CG1-CE 4.18Å; F500-M659 HydrophobicContact CD1-CE 4.02Å; F500-M659 HydrophobicContact CE1-CE 3.59Å; F500-M659 HydrophobicContact CZ-CE 4.32Å; I647-M659 HydrophobicContact CD1-CB 4.1Å; P650-M659 HydrophobicContact CB-CG 4.48Å; P650-M659 HydrophobicContact CB-SD 3.69Å; P650-M659 HydrophobicContact CG-CG 4.38Å; P650-M659 HydrophobicContact CG-SD 3.86Å; G651-M659 WeakPolarHBondContact O-CE 2.92Å; K654-M659 HydrophobicContact CB-CG 3.8Å; K654-M659 HydrophobicContact CB-SD 4.34Å; K654-M659 HydrophobicContact CD-CG 4.4Å; D655-M659 PolarHBondContact O-N 2.85Å; D655-M659 VanDerWaalsContact O-N 3.08Å; A656-M659 HydrophobicContact CB-CE 4.2Å; A656-M659 PolarHBondContact O-N 2.84Å; M659-D662 PolarHBondContact O-N 3.12Å; M659-F663 WeakPolarHBondContact O-CB 3.33Å; M659-F663 PolarHBondContact O-N 2.84Å
660L98.4Very high97.6Very high0 Ų038.9 Ų38.90%021%0.213CC..Hα-helixtrans-62.3-43.1175.2-76.1174.7000112M265 F500 F617 M621 A656 F663 L664 P668M265-L660 HydrophobicContact CE-CD1 3.41Å; M265-L660 VanDerWaalsContact CE-CD1 3.41Å; M265-L660 HydrophobicContact SD-CD1 4.45Å; F500-L660 HydrophobicContact CD2-CD1 4.34Å; F500-L660 HydrophobicContact CD2-CG 4.5Å; F500-L660 HydrophobicContact CE2-CD1 4.08Å; F500-L660 HydrophobicContact CE2-CD2 3.9Å; F500-L660 HydrophobicContact CE2-CG 3.78Å; F617-L660 HydrophobicContact CB-CD1 4.23Å; F617-L660 HydrophobicContact CD2-CD1 3.95Å; F617-L660 HydrophobicContact CG-CD1 4.26Å; M621-L660 HydrophobicContact CG-CD2 3.69Å; M621-L660 HydrophobicContact SD-CD2 3.41Å; M621-L660 WeakPolarHBondContact SD-CD2 3.35Å; A656-L660 WeakPolarHBondContact O-CB 3.48Å; A656-L660 WeakPolarHBondContact O-CG 3.43Å; A656-L660 PolarHBondContact O-N 3.3Å; L660-F663 PolarHBondContact O-N 3.14Å; L660-L664 HydrophobicContact CB-CD1 4.45Å; L660-L664 VanDerWaalsContact O-CB 3.26Å; L660-L664 WeakPolarHBondContact O-CB 3.3Å; L660-L664 VanDerWaalsContact O-CG 3.27Å; L660-L664 WeakPolarHBondContact O-CG 3.44Å; L660-L664 PolarHBondContact O-N 3.1Å; L660-P668 HydrophobicContact CB-CG 4.37Å; L660-P668 HydrophobicContact CD1-CB 4.14Å; L660-P668 HydrophobicContact CD1-CG 3.95Å
661K98.4Very high97.5Very high66 Ų6643.8 Ų43.829%0.28724%0.235SC..Hα-helixtrans-63.1-43.4177-78.6179.7-124.2-1620112.9T657 D658 F663 G665 R666 E667T657-K661 WeakPolarHBondContact O-CE 3.45Å; T657-K661 WeakPolarHBondContact O-CG 3.27Å; T657-K661 PolarHBondContact O-N 2.79Å; T657-K661 VanDerWaalsContact O-N 3.07Å; D658-K661 PolarHBondContact O-N 2.89Å; K661-F663 VanDerWaalsContact C-N 3.31Å; K661-F663 PolarHBondContact O-N 2.86Å; K661-G665 VanDerWaalsContact O-CA 3.29Å; K661-G665 WeakPolarHBondContact O-CA 3.32Å; K661-G665 PolarHBondContact O-N 2.69Å; K661-R666 WeakPolarHBondContact CA-O 3.41Å; K661-E667 WeakPolarHBondContact CD-OE1 3.33Å; K661-E667 WeakPolarHBondContact CE-OE1 3.29Å; K661-E667 WeakPolarHBondContact CE-OE2 3.11Å; K661-E667 IonicContact NZ-OE1 3.51Å; K661-E667 PolarHBondContact NZ-OE1 3.32Å; K661-E667 IonicContact NZ-OE2 3.11Å; K661-E667 PolarHBondContact NZ-OE2 2.86Å
662D98Very high97.4Very high68 Ų6844.1 Ų44.136%0.36424%0.237SC..Hα-helixtrans-63.2-41.6177.4-170.61.9000110.7K646 D658 M659K646-D662 WeakPolarHBondContact CE-OD1 3.41Å; K646-D662 PolarHBondContact NZ-O 3.45Å; K646-D662 IonicContact NZ-OD1 3.67Å; K646-D662 PolarHBondContact NZ-OD1 3.49Å; D658-D662 WeakPolarHBondContact O-CB 3.35Å; D658-D662 PolarHBondContact O-N 3.24Å; M659-D662 PolarHBondContact O-N 3.12Å
663F98.3Very high97.3Very high2 Ų244 Ų441%0.00924%0.237CC..Hα-helixtrans-71.7-44.2176.9-171.7-112.7000112.5M621 R625 F626 V639 D642 Y643 K646 I647 M659 L660 K661M621-F663 HydrophobicContact CB-CD1 4.35Å; M621-F663 HydrophobicContact CB-CE1 3.97Å; M621-F663 HydrophobicContact CE-CD1 4.35Å; M621-F663 HydrophobicContact CE-CE1 4.32Å; M621-F663 HydrophobicContact CG-CD1 4.06Å; M621-F663 HydrophobicContact CG-CE1 4.19Å; R625-F663 HydrophobicContact CB-CE1 3.74Å; R625-F663 HydrophobicContact CB-CE2 4.48Å; R625-F663 HydrophobicContact CB-CZ 3.63Å; R625-F663 WeakPolarHBondContact CD-O 3.42Å; R625-F663 HydrophobicContact CG-CD1 3.93Å; R625-F663 HydrophobicContact CG-CE1 3.49Å; R625-F663 VanDerWaalsContact CG-CE1 3.49Å; R625-F663 HydrophobicContact CG-CE2 4.33Å; R625-F663 HydrophobicContact CG-CZ 3.71Å; R625-F663 PolarHBondContact NH1-O 3.31Å; F626-F663 AromaticContact CE2-CZ 3.98Å; F626-F663 HydrophobicContact CE2-CZ 3.98Å; V639-F663 HydrophobicContact CG1-CE2 4.46Å; V639-F663 HydrophobicContact CG1-CZ 4.17Å; D642-F663 HydrophobicContact CB-CD2 4.47Å; D642-F663 HydrophobicContact CB-CE2 4.16Å; Y643-F663 VanDerWaalsContact CA-CE2 3.47Å; K646-F663 HydrophobicContact CB-CB 4.24Å; K646-F663 HydrophobicContact CB-CD2 4.27Å; K646-F663 HydrophobicContact CD-CB 4.44Å; K646-F663 HydrophobicContact CD-CD2 4.3Å; I647-F663 HydrophobicContact CD1-CB 3.67Å; I647-F663 HydrophobicContact CD1-CD1 4.39Å; I647-F663 HydrophobicContact CD1-CG 4.05Å; I647-F663 HydrophobicContact CG1-CB 4.04Å; I647-F663 HydrophobicContact CG1-CD1 4.27Å; I647-F663 HydrophobicContact CG1-CD2 4.21Å; I647-F663 HydrophobicContact CG1-CG 3.92Å; M659-F663 WeakPolarHBondContact O-CB 3.33Å; M659-F663 PolarHBondContact O-N 2.84Å; L660-F663 PolarHBondContact O-N 3.14Å; K661-F663 VanDerWaalsContact C-N 3.31Å; K661-F663 PolarHBondContact O-N 2.86Å
664L97.9Very high97.2Very high19 Ų1942.8 Ų42.810%0.09923%0.228CC..Hα-helixtrans-83.9-19.6-175.3-64.3171.5000113.2M621 R625 L660 R666 P668M621-L664 HydrophobicContact CG-CD2 4.43Å; R625-L664 HydrophobicContact CG-CD2 4.23Å; L660-L664 HydrophobicContact CB-CD1 4.45Å; L660-L664 VanDerWaalsContact O-CB 3.26Å; L660-L664 WeakPolarHBondContact O-CB 3.3Å; L660-L664 VanDerWaalsContact O-CG 3.27Å; L660-L664 WeakPolarHBondContact O-CG 3.44Å; L660-L664 PolarHBondContact O-N 3.1Å; L664-R666 HydrophobicContact CB-CG 4.14Å; L664-R666 PolarHBondContact O-N 3.43Å; L664-P668 HydrophobicContact CD1-CB 3.81Å
665G97.7Very high97Very high73 Ų7344.8 Ų44.875%0.75324%0.237SC*.SBendtrans71.89.5-169.200000113.8K661K661-G665 VanDerWaalsContact O-CA 3.29Å; K661-G665 WeakPolarHBondContact O-CA 3.32Å; K661-G665 PolarHBondContact O-N 2.69Å
666R98Very high96.6Very high91 Ų9144.9 Ų44.934%0.34324%0.237SC..SBendtrans-162170.8-178.556.6166.1177.573.5-3.8110.4D620 S624 K661 L664 N669D620-R666 IonicContact OD1-CZ 2.92Å; D620-R666 IonicContact OD1-NH1 2.73Å; D620-R666 IonicContact OD1-NH2 3.56Å; D620-R666 PolarHBondContact OD1-NH2 3.05Å; D620-R666 IonicContact OD2-CZ 3.61Å; D620-R666 IonicContact OD2-NH1 2.67Å; D620-R666 PolarHBondContact OD2-NH1 3.17Å; D620-R666 IonicContact OD2-NH2 2.72Å; D620-R666 PolarHBondContact OD2-NH2 2.93Å; S624-R666 PolarHBondContact OG-NH2 3.19Å; K661-R666 WeakPolarHBondContact CA-O 3.41Å; L664-R666 HydrophobicContact CB-CG 4.14Å; L664-R666 PolarHBondContact O-N 3.43Å; R666-N669 VanDerWaalsContact CZ-ND2 3.3Å; R666-N669 PolarHBondContact NH1-ND2 3.03Å
667E97.4Very high96.3Very high105 Ų10545.6 Ų45.649%0.49124%0.241SC..  trans-57.9143.2168-62.7-65.8164.600111.2K661K661-E667 WeakPolarHBondContact CD-OE1 3.33Å; K661-E667 WeakPolarHBondContact CE-OE1 3.29Å; K661-E667 WeakPolarHBondContact CE-OE2 3.11Å; K661-E667 IonicContact NZ-OE1 3.51Å; K661-E667 PolarHBondContact NZ-OE1 3.32Å; K661-E667 IonicContact NZ-OE2 3.11Å; K661-E667 PolarHBondContact NZ-OE2 2.86Å
668P96.9Very high95.8Very high23 Ų2350.6 Ų50.615%0.14926%0.259CS..  trans-66.7148.4172.830.5-35.4000110.8F617 D620 L660 L664F617-P668 HydrophobicContact CD1-CB 3.75Å; F617-P668 HydrophobicContact CD1-CG 4.36Å; F617-P668 HydrophobicContact CE1-CB 3.92Å; F617-P668 HydrophobicContact CE1-CG 4.16Å; F617-P668 HydrophobicContact CE2-CG 4.42Å; F617-P668 HydrophobicContact CG-CB 4.15Å; F617-P668 HydrophobicContact CZ-CB 4.44Å; F617-P668 HydrophobicContact CZ-CG 4.2Å; D620-P668 WeakPolarHBondContact OD2-CA 3.45Å; L660-P668 HydrophobicContact CB-CG 4.37Å; L660-P668 HydrophobicContact CD1-CB 4.14Å; L660-P668 HydrophobicContact CD1-CG 3.95Å; L664-P668 HydrophobicContact CD1-CB 3.81Å
669N95.8Very high95Very high42 Ų4247.6 Ų47.623%0.22524%0.244CC..  trans-141.9177.717666.461.7000112D620 R666 H671D620-N669 PolarHBondContact OD2-N 3.32Å; R666-N669 VanDerWaalsContact CZ-ND2 3.3Å; R666-N669 PolarHBondContact NH1-ND2 3.03Å; N669-H671 VanDerWaalsContact OD1-CB 3.27Å; N669-H671 WeakPolarHBondContact OD1-CB 3.3Å; N669-H671 PolarHBondContact OD1-N 3.29Å
670D95.6Very high93.4Very high25 Ų2554 Ų5413%0.13428%0.278CS..SBendtrans-96.51.2-174.267.26.8000114.3N278 K282 V616 A672 F673 F674N278-D670 PolarHBondContact ND2-OD2 2.84Å; K282-D670 VanDerWaalsContact NZ-CG 3.31Å; K282-D670 IonicContact NZ-OD1 3.99Å; K282-D670 PolarHBondContact NZ-OD1 3.43Å; K282-D670 VanDerWaalsContact NZ-OD1 3.13Å; K282-D670 IonicContact NZ-OD2 2.9Å; K282-D670 PolarHBondContact NZ-OD2 2.83Å; V616-D670 HydrophobicContact CG1-CB 3.72Å; D670-A672 PolarHBondContact O-N 3.31Å; D670-F673 PolarHBondContact O-N 2.97Å; D670-F674 HydrophobicContact CB-CD2 4.06Å; D670-F674 HydrophobicContact CB-CE2 3.7Å; D670-F674 VanDerWaalsContact CG-CE2 3.5Å; D670-F674 WeakPolarHBondContact O-CD2 3.4Å; D670-F674 PolarHBondContact O-N 3.44Å; D670-F674 WeakPolarHBondContact OD2-CE2 3.45Å
671H95.6Very high91.3Very high112 Ų11257 Ų5752%0.51930%0.299SS..Hα-helixtrans-63.3-42.5-171.4-64.8171000112.5N669 F673 F674 K675N669-H671 VanDerWaalsContact OD1-CB 3.27Å; N669-H671 WeakPolarHBondContact OD1-CB 3.3Å; N669-H671 PolarHBondContact OD1-N 3.29Å; H671-F673 VanDerWaalsContact C-N 3.34Å; H671-F673 PolarHBondContact O-N 2.65Å; H671-F674 PolarHBondContact O-N 3.44Å; H671-K675 WeakPolarHBondContact O-CB 3.39Å; H671-K675 PolarHBondContact O-N 3Å
672A95.6Very high88.6Confident7 Ų762 Ų626%0.05834%0.343CS..Hα-helixtrans-63.4-40.8179.700000112.1A619 D620 E623 D670 K675 L676A619-A672 HydrophobicContact CB-CB 4.4Å; A619-A672 WeakPolarHBondContact O-CB 3.49Å; D620-A672 HydrophobicContact CB-CB 4.29Å; E623-A672 HydrophobicContact CB-CB 3.6Å; E623-A672 HydrophobicContact CG-CB 4.03Å; D670-A672 PolarHBondContact O-N 3.31Å; A672-K675 PolarHBondContact O-N 3.11Å; A672-L676 WeakPolarHBondContact O-CB 3.32Å; A672-L676 PolarHBondContact O-N 2.76Å
673F95.9Very high88.2Confident1 Ų161.8 Ų61.80%0.00434%0.342CS..Hα-helixtrans-60.1-49.5176.4-178.9-99.6000111.3V279 Y549 L612 E615 V616 A619 D670 H671 K675 L676 L677V279-F673 HydrophobicContact CG1-CE1 4.15Å; Y549-F673 HydrophobicContact CD1-CZ 4.08Å; Y549-F673 HydrophobicContact CD2-CZ 4.07Å; Y549-F673 HydrophobicContact CE1-CE2 4.02Å; Y549-F673 AromaticContact CE1-CZ 3.79Å; Y549-F673 HydrophobicContact CE1-CZ 3.79Å; Y549-F673 HydrophobicContact CE2-CE2 4.27Å; Y549-F673 AromaticContact CE2-CZ 3.83Å; Y549-F673 HydrophobicContact CE2-CZ 3.83Å; Y549-F673 HydrophobicContact CG-CZ 4.21Å; Y549-F673 AromaticContact CZ-CE2 3.76Å; Y549-F673 AromaticContact CZ-CZ 3.66Å; L612-F673 HydrophobicContact CD1-CE2 4.38Å; L612-F673 HydrophobicContact CD1-CZ 3.87Å; E615-F673 HydrophobicContact CG-CE2 4.22Å; V616-F673 HydrophobicContact CB-CB 4.46Å; V616-F673 HydrophobicContact CB-CG 4.44Å; V616-F673 HydrophobicContact CG1-CB 4.32Å; V616-F673 HydrophobicContact CG2-CB 4.25Å; V616-F673 HydrophobicContact CG2-CD1 3.9Å; V616-F673 HydrophobicContact CG2-CD2 4.01Å; V616-F673 HydrophobicContact CG2-CE1 4.21Å; V616-F673 HydrophobicContact CG2-CE2 4.32Å; V616-F673 HydrophobicContact CG2-CG 3.78Å; V616-F673 HydrophobicContact CG2-CZ 4.41Å; A619-F673 HydrophobicContact CB-CB 4.04Å; A619-F673 HydrophobicContact CB-CD2 4.34Å; D670-F673 PolarHBondContact O-N 2.97Å; H671-F673 VanDerWaalsContact C-N 3.34Å; H671-F673 PolarHBondContact O-N 2.65Å; F673-K675 PolarHBondContact O-N 3.39Å; F673-L676 WeakPolarHBondContact O-CB 3.19Å; F673-L676 PolarHBondContact O-N 3.49Å; F673-L677 HydrophobicContact CD1-CD1 4.11Å; F673-L677 HydrophobicContact CE1-CD1 3.52Å; F673-L677 HydrophobicContact CE2-CD1 4.24Å; F673-L677 HydrophobicContact CZ-CD1 3.6Å; F673-L677 WeakPolarHBondContact O-CG 3.38Å; F673-L677 PolarHBondContact O-N 3.18Å; F673-L677 VanDerWaalsContact O-N 3.16Å
674F94.9Very high87.6Confident0 Ų064.9 Ų64.90%036%0.359CS..Hα-helixtrans-68.2-34.5178-68.7-64.3000113.5V279 K282 L283 D670 H671 L676 L677 K678 V679V279-F674 HydrophobicContact CB-CZ 4.3Å; V279-F674 HydrophobicContact CG1-CE1 4.38Å; V279-F674 HydrophobicContact CG1-CZ 4.04Å; V279-F674 HydrophobicContact CG2-CZ 4.23Å; K282-F674 HydrophobicContact CB-CD1 3.94Å; K282-F674 HydrophobicContact CB-CE1 3.41Å; K282-F674 VanDerWaalsContact CB-CE1 3.41Å; K282-F674 HydrophobicContact CB-CE2 4.37Å; K282-F674 HydrophobicContact CB-CZ 3.69Å; K282-F674 HydrophobicContact CD-CD1 4.22Å; K282-F674 HydrophobicContact CD-CD2 3.63Å; K282-F674 HydrophobicContact CD-CE1 3.88Å; K282-F674 HydrophobicContact CD-CE2 3.23Å; K282-F674 HydrophobicContact CD-CG 4.13Å; K282-F674 HydrophobicContact CD-CZ 3.39Å; K282-F674 HydrophobicContact CG-CE1 4.29Å; K282-F674 HydrophobicContact CG-CE2 4.42Å; K282-F674 HydrophobicContact CG-CZ 4.16Å; L283-F674 HydrophobicContact CD2-CD1 4.39Å; L283-F674 HydrophobicContact CD2-CE1 4.04Å; L283-F674 HydrophobicContact CG-CE1 4.13Å; D670-F674 HydrophobicContact CB-CD2 4.06Å; D670-F674 HydrophobicContact CB-CE2 3.7Å; D670-F674 VanDerWaalsContact CG-CE2 3.5Å; D670-F674 WeakPolarHBondContact O-CD2 3.4Å; D670-F674 PolarHBondContact O-N 3.44Å; D670-F674 WeakPolarHBondContact OD2-CE2 3.45Å; H671-F674 PolarHBondContact O-N 3.44Å; F674-L676 VanDerWaalsContact C-N 3.35Å; F674-L677 CarbonylContact O-C 3.59Å; F674-L677 PolarHBondContact O-N 3.32Å; F674-K678 PolarHBondContact O-N 3.43Å; F674-K678 VanDerWaalsContact O-N 3.12Å; F674-V679 HydrophobicContact CB-CB 4.49Å; F674-V679 HydrophobicContact CD1-CB 4.11Å; F674-V679 HydrophobicContact CD1-CG1 4Å; F674-V679 PolarHBondContact O-N 2.94Å
675K92.9Very high87.1Confident135 Ų13567.4 Ų67.459%0.58737%0.373SS*.Hα-helixtrans-60.6-45.1172.7-175.2-175.2178.6-169.60111.2E623 H671 A672 F673 L677 K678E623-K675 WeakPolarHBondContact OE1-CE 3.45Å; E623-K675 IonicContact OE1-NZ 3.3Å; E623-K675 PolarHBondContact OE1-NZ 2.87Å; H671-K675 WeakPolarHBondContact O-CB 3.39Å; H671-K675 PolarHBondContact O-N 3Å; A672-K675 PolarHBondContact O-N 3.11Å; F673-K675 PolarHBondContact O-N 3.39Å; K675-L677 VanDerWaalsContact C-N 3.27Å; K675-L677 PolarHBondContact O-N 3.49Å; K675-K678 PolarHBondContact O-N 3.13Å
676L90.1Very high86.4Confident49 Ų4967.1 Ų67.126%0.25735%0.351SS..Hα-helixtrans-57.2-43.3177178.770.8000111.1I542 A672 F673 F674 K678I542-L676 WeakPolarHBondContact CG2-O 3.35Å; A672-L676 WeakPolarHBondContact O-CB 3.32Å; A672-L676 PolarHBondContact O-N 2.76Å; F673-L676 WeakPolarHBondContact O-CB 3.19Å; F673-L676 PolarHBondContact O-N 3.49Å; F674-L676 VanDerWaalsContact C-N 3.35Å; L676-K678 PolarHBondContact O-N 2.84Å
677L90.5Very high85.7Confident15 Ų1565.6 Ų65.68%0.07935%0.352CS..THydrogen-bonded Turntrans-79.6-0.2180-56.9-175.7000114L283 A545 Y549 F673 F674 K675 V679L283-L677 HydrophobicContact CD2-CD1 3.73Å; A545-L677 HydrophobicContact CB-CD2 3.9Å; Y549-L677 HydrophobicContact CD2-CD1 3.72Å; Y549-L677 HydrophobicContact CE2-CD1 3.5Å; Y549-L677 HydrophobicContact CE2-CD2 3.73Å; Y549-L677 HydrophobicContact CE2-CG 4.25Å; F673-L677 HydrophobicContact CD1-CD1 4.11Å; F673-L677 HydrophobicContact CE1-CD1 3.52Å; F673-L677 HydrophobicContact CE2-CD1 4.24Å; F673-L677 HydrophobicContact CZ-CD1 3.6Å; F673-L677 WeakPolarHBondContact O-CG 3.38Å; F673-L677 PolarHBondContact O-N 3.18Å; F673-L677 VanDerWaalsContact O-N 3.16Å; F674-L677 CarbonylContact O-C 3.59Å; F674-L677 PolarHBondContact O-N 3.32Å; K675-L677 VanDerWaalsContact C-N 3.27Å; K675-L677 PolarHBondContact O-N 3.49Å; L677-V679 HydrophobicContact CB-CG2 3.94Å; L677-V679 PolarHBondContact O-N 3.41Å
678K88.2Confident84.9Confident143 Ų14363 Ų6362%0.62234%0.342SS*.THydrogen-bonded Turntrans5435.9-174.3-53.7-176.2-171.81670112.7I542 F674 K675 L676I542-K678 HydrophobicContact CD1-CD 3.72Å; I542-K678 HydrophobicContact CD1-CG 4.3Å; F674-K678 PolarHBondContact O-N 3.43Å; F674-K678 VanDerWaalsContact O-N 3.12Å; K675-K678 PolarHBondContact O-N 3.13Å; L676-K678 PolarHBondContact O-N 2.84Å
679V80.8Confident84.1Confident23 Ų2365.9 Ų65.914%0.13936%0.356CS..  trans-99.5127.2176.5174.10000108.3K282 L283 A286 F674 L677 S681K282-V679 WeakPolarHBondContact O-CG1 3.36Å; L283-V679 HydrophobicContact CD2-CG2 4.09Å; A286-V679 HydrophobicContact CB-CG2 4.28Å; F674-V679 HydrophobicContact CB-CB 4.49Å; F674-V679 HydrophobicContact CD1-CB 4.11Å; F674-V679 HydrophobicContact CD1-CG1 4Å; F674-V679 PolarHBondContact O-N 2.94Å; L677-V679 HydrophobicContact CB-CG2 3.94Å; L677-V679 PolarHBondContact O-N 3.41Å; V679-S681 PolarHBondContact O-N 2.89Å
680N64.9Low83.2Confident136 Ų13667.7 Ų67.773%0.72737%0.366SS*.  trans-64.3121.6177.2-78.9-28.8000109.6S682N680-S682 PolarHBondContact O-N 3.31Å; N680-S682 VanDerWaalsContact O-N 3.12Å
681S54.3Low82.1Confident62 Ų6271.3 Ų71.343%0.43439%0.386SS..  trans-82.527.9-179.1530000113.6V679V679-S681 PolarHBondContact O-N 2.89Å
682S41.9Very low80.9Confident172 Ų17267.5 Ų67.5100%1.20337%0.374SS*.  trans-58.10-171.758.40000114.1N680N680-S682 PolarHBondContact O-N 3.31Å; N680-S682 VanDerWaalsContact O-N 3.12Å

Retrieved 682 of 682 residues in 177.3 ms (Link to these results)

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